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Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB (G7N5U1), UniProt , Accession A0A096NXI9, Species PAPAN (Papio anubis, Olive baboon), Gene USP5, Length 858 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
1M57.4Low82.4Confident241 Ų24183.5 Ų83.5100%1.18746%0.459SS*.  0129.10-73.1-164.3-77.600106.1
2A73.9Confident83.3Confident93 Ų9377.5 Ų77.577%0.76943%0.427SS*.PPolyproline II helixtrans-69.7147.7173.100000109.4L4A2-L4 PolarHBondContact O-N 2.92Å
3E79.6Confident83.9Confident70 Ų7073.5 Ų73.533%0.32741%0.405SS..PPolyproline II helixtrans-61.3125.6175-165.7178.8-166.800108.3A8 R68E3-A8 HydrophobicContact CG-CB 4.11Å; E3-R68 IonicContact OE1-NH1 2.85Å; E3-R68 IonicContact OE1-NH2 3.92Å; E3-R68 IonicContact OE2-CZ 3.59Å; E3-R68 IonicContact OE2-NH2 3.8Å; E3-R68 PolarHBondContact OE2-NH2 3.32Å
4L84.8Confident84.6Confident108 Ų10875 Ų7557%0.56542%0.419SS*.PPolyproline II helixtrans-73.6141.5177.3-70.7171.6000109.6A2 E6 E7 A8A2-L4 PolarHBondContact O-N 2.92Å; L4-E6 PolarHBondContact O-N 3.22Å; L4-E6 VanDerWaalsContact O-N 3.13Å; L4-E7 HydrophobicContact CB-CB 4.44Å; L4-E7 HydrophobicContact CB-CG 4.11Å; L4-E7 PolarHBondContact O-N 3.25Å; L4-A8 PolarHBondContact O-N 2.92Å
5S82.9Confident85.2Confident43 Ų4373 Ų7330%0.30141%0.41SS..Hα-helixtrans-55.5-33.8-179.7-53.10000113.2L9S5-L9 VanDerWaalsContact O-CB 3.29Å; S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 PolarHBondContact O-N 3.46Å
6E83.6Confident85.8Confident100 Ų10068.4 Ų68.447%0.46738%0.384SS..Hα-helixtrans-66.6-45.7176.1-64.9-178.2-166.300112.4L4 L9 L10 L139L4-E6 PolarHBondContact O-N 3.22Å; L4-E6 VanDerWaalsContact O-N 3.13Å; E6-L9 PolarHBondContact O-N 3.39Å; E6-L10 WeakPolarHBondContact O-CB 3.3Å; E6-L10 VanDerWaalsContact O-CG 3.23Å; E6-L10 WeakPolarHBondContact O-CG 3.45Å; E6-L10 PolarHBondContact O-N 3.3Å; E6-L139 HydrophobicContact CB-CD2 3.83Å; E6-L139 HydrophobicContact CG-CD2 3.87Å; E6-L139 HydrophobicContact CG-CG 4.42Å
7E85.9Confident86.4Confident117 Ų11771.9 Ų71.955%0.54739%0.39SS..Hα-helixtrans-64.3-45178.4-65.8177167.300110.4L4 L10 S11L4-E7 HydrophobicContact CB-CB 4.44Å; L4-E7 HydrophobicContact CB-CG 4.11Å; L4-E7 PolarHBondContact O-N 3.25Å; E7-L10 PolarHBondContact O-N 3.35Å; E7-S11 PolarHBondContact O-N 3.22Å; E7-S11 VanDerWaalsContact O-N 3.13Å
8A88.4Confident86.8Confident0 Ų071.1 Ų71.10%039%0.388CS..Hα-helixtrans-58.4-51.1176.400000110.6E3 L4 L10 S11 V12 I124 L129E3-A8 HydrophobicContact CG-CB 4.11Å; L4-A8 PolarHBondContact O-N 2.92Å; A8-L10 PolarHBondContact O-N 3.23Å; A8-S11 PolarHBondContact O-N 2.6Å; A8-S11 PolarHBondContact O-OG 3.32Å; A8-V12 VanDerWaalsContact O-CG2 3.22Å; A8-V12 WeakPolarHBondContact O-CG2 3.42Å; A8-V12 PolarHBondContact O-N 3.49Å; A8-I124 HydrophobicContact CB-CD1 4.08Å; A8-I124 HydrophobicContact CB-CG2 4.37Å; A8-L129 HydrophobicContact CB-CD1 3.96Å
9L89.4Confident87.1Confident0 Ų068.1 Ų68.10%037%0.372CS..Hα-helixtrans-64.1-40.6-178.2-175.962000113S5 E6 S11 V12 L13 I16 I124 I131 L136 L139S5-L9 VanDerWaalsContact O-CB 3.29Å; S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 PolarHBondContact O-N 3.46Å; E6-L9 PolarHBondContact O-N 3.39Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 2.93Å; L9-V12 WeakPolarHBondContact O-CG2 3.28Å; L9-V12 PolarHBondContact O-N 3.28Å; L9-L13 PolarHBondContact O-N 3.15Å; L9-I16 HydrophobicContact CD1-CD1 4.07Å; L9-I124 HydrophobicContact CB-CD1 3.88Å; L9-I124 HydrophobicContact CD1-CD1 4.12Å; L9-I131 HydrophobicContact CB-CD1 4.1Å; L9-I131 HydrophobicContact CD2-CD1 3.94Å; L9-I131 HydrophobicContact CG-CD1 4.44Å; L9-L136 HydrophobicContact CD2-CD2 3.73Å; L9-L139 HydrophobicContact CD2-CD1 3.7Å
10L88.9Confident87.2Confident76 Ų7672.3 Ų72.340%0.39839%0.386SS..Hα-helixtrans-64.3-37.1177.6-72172.1000112E6 E7 A8 V12 L139 V143E6-L10 WeakPolarHBondContact O-CB 3.3Å; E6-L10 VanDerWaalsContact O-CG 3.23Å; E6-L10 WeakPolarHBondContact O-CG 3.45Å; E6-L10 PolarHBondContact O-N 3.3Å; E7-L10 PolarHBondContact O-N 3.35Å; A8-L10 PolarHBondContact O-N 3.23Å; L10-V12 VanDerWaalsContact C-N 3.27Å; L10-V12 PolarHBondContact O-N 3.48Å; L10-L139 HydrophobicContact CD1-CD2 4.26Å; L10-L139 HydrophobicContact CD2-CD2 4.36Å; L10-L139 HydrophobicContact CG-CD2 4.19Å; L10-V143 HydrophobicContact CD2-CG1 4.11Å; L10-V143 HydrophobicContact CD2-CG2 3.81Å
11S91.7Very high86.8Confident70 Ų7073.5 Ų73.549%0.4941%0.406SS..Hα-helixtrans-66.1-28.1-179.377.30000113.7E7 A8 L9E7-S11 PolarHBondContact O-N 3.22Å; E7-S11 VanDerWaalsContact O-N 3.13Å; A8-S11 PolarHBondContact O-N 2.6Å; A8-S11 PolarHBondContact O-OG 3.32Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 2.93Å
12V92.6Very high87.7Confident12 Ų1265.5 Ų65.57%0.07339%0.386CS..Hα-helixtrans-109.4-2-173.5-640000113.1A8 L9 L10 P14 T15 R68 V69A8-V12 VanDerWaalsContact O-CG2 3.22Å; A8-V12 WeakPolarHBondContact O-CG2 3.42Å; A8-V12 PolarHBondContact O-N 3.49Å; L9-V12 WeakPolarHBondContact O-CG2 3.28Å; L9-V12 PolarHBondContact O-N 3.28Å; L10-V12 VanDerWaalsContact C-N 3.27Å; L10-V12 PolarHBondContact O-N 3.48Å; V12-P14 VanDerWaalsContact C-N 3.25Å; V12-P14 VanDerWaalsContact O-N 3.11Å; V12-T15 PolarHBondContact O-N 2.99Å; V12-T15 PolarHBondContact O-OG1 3.32Å; V12-R68 HydrophobicContact CG1-CB 3.89Å; V12-R68 HydrophobicContact CG1-CG 4.27Å; V12-V69 HydrophobicContact CB-CG2 3.65Å; V12-V69 HydrophobicContact CG1-CG2 4.49Å; V12-V69 HydrophobicContact CG2-CG2 3.05Å
13L92Very high88.2Confident26 Ų2663.1 Ų63.114%0.13636%0.36CS..G310 helixtrans-49.2-36.2178.2-169.866000114.5L9 T15 I16 V143 R146 V147L9-L13 PolarHBondContact O-N 3.15Å; L13-T15 PolarHBondContact O-N 3.24Å; L13-I16 HydrophobicContact CD1-CD1 4.15Å; L13-I16 PolarHBondContact O-N 3.25Å; L13-V143 HydrophobicContact CD1-CG1 3.77Å; L13-V143 HydrophobicContact CD2-CB 4.13Å; L13-V143 HydrophobicContact CD2-CG1 3.83Å; L13-V143 HydrophobicContact CD2-CG2 3.62Å; L13-V143 HydrophobicContact CG-CG1 4.4Å; L13-R146 PolarHBondContact O-NH1 3.39Å; L13-V147 HydrophobicContact CD1-CG2 3.95Å
14P93.5Very high88.5Confident94 Ų9464.7 Ų64.761%0.6136%0.363SS*.G310 helixtrans-58.7-29.1176.8-26.737.2000114.2V12 I16 R146V12-P14 VanDerWaalsContact C-N 3.25Å; V12-P14 VanDerWaalsContact O-N 3.11Å; P14-I16 VanDerWaalsContact C-N 3.31Å; P14-R146 PolarHBondContact O-NH2 2.88Å
15T93.8Very high88.9Confident45 Ų4559.5 Ų59.528%0.27634%0.336SS..G310 helixtrans-81.7-10-17874.50000113.3V12 L13 R17 N48 Q67V12-T15 PolarHBondContact O-N 2.99Å; V12-T15 PolarHBondContact O-OG1 3.32Å; L13-T15 PolarHBondContact O-N 3.24Å; T15-R17 PolarHBondContact O-N 3.4Å; T15-N48 VanDerWaalsContact O-CA 3.3Å; T15-N48 WeakPolarHBondContact O-CA 3.47Å; T15-N48 WeakPolarHBondContact O-CB 3.27Å; T15-N48 PolarHBondContact O-OD1 3.31Å; T15-Q67 PolarHBondContact OG1-NE2 3.41Å; T15-Q67 PolarHBondContact OG1-OE1 3.08Å
16I95.1Very high89.3Confident0 Ų058.2 Ų58.20%033%0.325CS..  trans-78.6107.2176.4-58-177.3000109.1L9 L13 P14 M47 V69 R146 V147 A150L9-I16 HydrophobicContact CD1-CD1 4.07Å; L13-I16 HydrophobicContact CD1-CD1 4.15Å; L13-I16 PolarHBondContact O-N 3.25Å; P14-I16 VanDerWaalsContact C-N 3.31Å; I16-M47 HydrophobicContact CD1-SD 4.5Å; I16-M47 HydrophobicContact CG1-CB 4.47Å; I16-M47 HydrophobicContact CG2-CB 4.39Å; I16-M47 HydrophobicContact CG2-CE 3.92Å; I16-V69 HydrophobicContact CD1-CG1 4.15Å; I16-V69 HydrophobicContact CG1-CG1 4.41Å; I16-R146 PolarHBondContact O-NH2 2.85Å; I16-V147 HydrophobicContact CD1-CG2 4Å; I16-A150 HydrophobicContact CG2-CB 3.66Å
17R95Very high89.8Confident127 Ų12754.7 Ų54.748%0.47931%0.308SS..PPolyproline II helixtrans-97.3149.8172.2-68.2-172.562.3179.4-5.6110T15 M47 N48 F50T15-R17 PolarHBondContact O-N 3.4Å; R17-M47 PolarHBondContact N-O 2.83Å; R17-N48 WeakPolarHBondContact CD-O 3.47Å; R17-N48 WeakPolarHBondContact CD-OD1 3.37Å; R17-N48 WeakPolarHBondContact CG-OD1 3.45Å; R17-F50 HydrophobicContact CB-CE1 4.01Å; R17-F50 HydrophobicContact CB-CZ 3.7Å; R17-F50 WeakPolarHBondContact O-CE1 3.48Å
18V93.6Very high89.9Confident58 Ų5851.3 Ų51.335%0.35229%0.294SS..PPolyproline II helixtrans-100.1121.7174.5-177.30000107.6A150 A153V18-A150 HydrophobicContact CG2-CB 4Å; V18-A153 HydrophobicContact CG1-CB 3.8Å
19P92.2Very high90.1Very high13 Ų1352.3 Ų52.38%0.08430%0.298CS..PPolyproline II helixtrans-56.4142.1176.7-23.829.9000113.1V25 F50 A153 L154P19-V25 HydrophobicContact CB-CG2 3.99Å; P19-V25 HydrophobicContact CG-CG2 4.15Å; P19-F50 HydrophobicContact CB-CD2 4.43Å; P19-F50 HydrophobicContact CB-CE2 4.07Å; P19-F50 HydrophobicContact CB-CZ 4.12Å; P19-F50 HydrophobicContact CG-CD1 3.97Å; P19-F50 HydrophobicContact CG-CD2 4.33Å; P19-F50 HydrophobicContact CG-CE1 3.68Å; P19-F50 HydrophobicContact CG-CE2 4.06Å; P19-F50 HydrophobicContact CG-CG 4.28Å; P19-F50 HydrophobicContact CG-CZ 3.72Å; P19-A153 HydrophobicContact CB-CB 4.43Å; P19-A153 HydrophobicContact CG-CB 4.28Å; P19-L154 HydrophobicContact CG-CD2 3.49Å; P19-L154 VanDerWaalsContact CG-CD2 3.49Å; P19-L154 HydrophobicContact CG-CG 3.67Å
20K89.9Confident90.4Very high153 Ų15352.3 Ų52.367%0.66530%0.298SS*.  trans-109.9169.5171.7-61.2-179.9-179.5-179.80110.8G22 D23K20-G22 PolarHBondContact O-N 2.97Å; K20-G22 VanDerWaalsContact O-N 3.15Å; K20-D23 WeakPolarHBondContact CB-OD2 3.41Å; K20-D23 PolarHBondContact N-OD2 3.4Å; K20-D23 WeakPolarHBondContact O-CB 3.21Å; K20-D23 PolarHBondContact O-N 3.25Å
21A78.3Confident90.8Very high98 Ų9848.7 Ų48.781%0.8128%0.28SS*.THydrogen-bonded Turntrans-54.2-36.3-178.200000114.2K163A21-K163 PolarHBondContact O-NZ 3.3Å
22G76.8Confident91Very high73 Ų7345.7 Ų45.775%0.75326%0.258SS*.THydrogen-bonded Turntrans-82.4-817800000115.4K20K20-G22 PolarHBondContact O-N 2.97Å; K20-G22 VanDerWaalsContact O-N 3.15Å
23D85Confident91.1Very high42 Ų4245.2 Ų45.223%0.22526%0.255CS..  trans-79.5146.4-177.5-67.8-37.2000111.2K20 F50 K163K20-D23 WeakPolarHBondContact CB-OD2 3.41Å; K20-D23 PolarHBondContact N-OD2 3.4Å; K20-D23 WeakPolarHBondContact O-CB 3.21Å; K20-D23 PolarHBondContact O-N 3.25Å; D23-F50 HydrophobicContact CB-CD2 4.02Å; D23-F50 HydrophobicContact CB-CE2 3.99Å; D23-K163 PolarHBondContact O-NZ 2.79Å
24R85.9Confident91.2Very high103 Ų10344.8 Ų44.839%0.38925%0.252SS..  trans-96.2115.1176.7-65.7-179.8-65.5167.29.6108.9A160 D368R24-A160 HydrophobicContact CB-CB 4.18Å; R24-D368 IonicContact NH2-OD2 2.71Å
25V92.2Very high91.2Very high0 Ų041.1 Ų41.10%023%0.227CC..BIsolated β-bridgetrans-104.6112.5179.5-177.60000109P19 K27 F50 L154 A157 S159 A160P19-V25 HydrophobicContact CB-CG2 3.99Å; P19-V25 HydrophobicContact CG-CG2 4.15Å; V25-K27 HydrophobicContact CG1-CB 4.29Å; V25-K27 PolarHBondContact O-N 3.32Å; V25-F50 HydrophobicContact CB-CB 4.37Å; V25-F50 HydrophobicContact CG1-CB 4.35Å; V25-F50 HydrophobicContact CG2-CB 4.08Å; V25-F50 HydrophobicContact CG2-CD2 4.46Å; V25-F50 HydrophobicContact CG2-CG 4.34Å; V25-L154 HydrophobicContact CG1-CD2 3.67Å; V25-L154 HydrophobicContact CG2-CD2 4.3Å; V25-A157 HydrophobicContact CB-CB 4.32Å; V25-A157 HydrophobicContact CG2-CB 3.78Å; V25-S159 CarbonylContact O-C 3.54Å; V25-S159 WeakPolarHBondContact O-CA 3.38Å; V25-A160 PolarHBondContact O-N 3.38Å
26H92.6Very high91.1Very high16 Ų1641 Ų417%0.07423%0.227CC..  trans-89.778.9-179.7-66.3-95.1000110F50 G52H26-F50 PolarHBondContact N-O 3.06Å; H26-G52 VanDerWaalsContact O-CA 3.27Å; H26-G52 WeakPolarHBondContact O-CA 3.43Å; H26-G52 PolarHBondContact O-N 2.63Å
27K92.1Very high91Very high26 Ų2641.2 Ų41.211%0.11323%0.228CC..  trans-102.3-4.9-179.169.6-176.6-170.5-175.90115V25 P37 L43 I45 L73 L155 A157V25-K27 HydrophobicContact CG1-CB 4.29Å; V25-K27 PolarHBondContact O-N 3.32Å; K27-P37 WeakPolarHBondContact O-CG 3.41Å; K27-L43 WeakPolarHBondContact O-CD2 3.41Å; K27-I45 HydrophobicContact CB-CD1 3.5Å; K27-L73 HydrophobicContact CB-CD2 4.37Å; K27-L155 PolarHBondContact NZ-O 3.21Å; K27-A157 WeakPolarHBondContact CE-O 3.14Å; K27-A157 PolarHBondContact NZ-O 3.06Å
28D88.5Confident90.7Very high46 Ų4638.8 Ų38.825%0.24622%0.222CC..SBendtrans-100.2-30.6-174.1-63.1-11.4000112.9T36 P37 S159 S161D28-T36 WeakPolarHBondContact O-CG2 3.33Å; D28-P37 WeakPolarHBondContact O-CD 3.44Å; D28-S159 VanDerWaalsContact CG-CB 3.45Å; D28-S159 WeakPolarHBondContact OD1-CB 3.25Å; D28-S159 WeakPolarHBondContact OD2-CB 3.05Å; D28-S159 PolarHBondContact OD2-OG 3.28Å; D28-S161 PolarHBondContact OD2-OG 3.33Å
29E93.4Very high90.5Very high20 Ų2037.7 Ų37.79%0.09322%0.217CC..SBendtrans-149.7142.9-170.9-167.1178.9110.500111.5D35 K379 M416E29-D35 WeakPolarHBondContact CA-O 3.4Å; E29-K379 WeakPolarHBondContact OE1-CE 3.44Å; E29-K379 IonicContact OE1-NZ 3.63Å; E29-K379 PolarHBondContact OE1-NZ 2.94Å; E29-M416 HydrophobicContact CB-CE 4.48Å
30C96.2Very high90.2Very high0 Ų045.5 Ų45.50%025%0.252CS..  trans-64.2143.1174.7173.40000112.4F32 S33 D35 L43 G52 G54 K379C30-F32 VanDerWaalsContact C-N 3.3Å; C30-F32 PolarHBondContact O-N 3.44Å; C30-F32 PolarHBondContact SG-N 3.46Å; C30-S33 WeakPolarHBondContact CB-O 3.32Å; C30-S33 PolarHBondContact SG-N 2.75Å; C30-S33 VanDerWaalsContact SG-N 3.35Å; C30-S33 PolarHBondContact SG-OG 3.3Å; C30-D35 HydrophobicContact CB-CB 3.95Å; C30-D35 WeakPolarHBondContact CB-O 3.39Å; C30-D35 PolarHBondContact N-O 2.98Å; C30-L43 HydrophobicContact CB-CD1 3.87Å; C30-G52 WeakPolarHBondContact CA-O 3.43Å; C30-G54 PolarHBondContact SG-N 3.48Å; C30-K379 PolarHBondContact O-NZ 3.25Å
31A95.8Very high90.2Very high1 Ų138.7 Ų38.71%0.00823%0.225CC..SBendtrans-65.3-29.5176.200000114G52 F53 P369 T370 Q376A31-G52 PolarHBondContact N-O 3.45Å; A31-F53 HydrophobicContact CB-CD1 4.25Å; A31-F53 HydrophobicContact CB-CE1 3.91Å; A31-P369 HydrophobicContact CB-CB 4.37Å; A31-P369 HydrophobicContact CB-CG 4.31Å; A31-T370 HydrophobicContact CB-CG2 3.89Å; A31-Q376 PolarHBondContact O-NE2 3.41Å; A31-Q376 VanDerWaalsContact O-NE2 3.09Å
32F96.2Very high90.9Very high7 Ų734 Ų343%0.03119%0.187CC..SBendtrans-108.4-19.6-172.7-67.3-69.2000114.8C30 F53 Y57 F362 A365 P369 T375C30-F32 VanDerWaalsContact C-N 3.3Å; C30-F32 PolarHBondContact O-N 3.44Å; C30-F32 PolarHBondContact SG-N 3.46Å; F32-F53 AromaticContact CD2-CD1 3.81Å; F32-F53 HydrophobicContact CD2-CD1 3.81Å; F32-F53 HydrophobicContact CD2-CE1 4Å; F32-F53 AromaticContact CE2-CD1 3.84Å; F32-F53 HydrophobicContact CE2-CD1 3.84Å; F32-F53 AromaticContact CE2-CE1 3.63Å; F32-F53 HydrophobicContact CE2-CE1 3.63Å; F32-Y57 HydrophobicContact CB-CD1 3.65Å; F32-Y57 HydrophobicContact CB-CD2 4.3Å; F32-Y57 HydrophobicContact CB-CE1 4.04Å; F32-Y57 HydrophobicContact CB-CG 3.8Å; F32-Y57 HydrophobicContact CD2-CD1 4.38Å; F32-Y57 HydrophobicContact CD2-CG 4.37Å; F32-Y57 HydrophobicContact CG-CD1 4.2Å; F32-Y57 HydrophobicContact CG-CG 4.45Å; F32-F362 HydrophobicContact CB-CD2 4.31Å; F32-F362 HydrophobicContact CB-CE2 3.84Å; F32-F362 HydrophobicContact CB-CZ 4.07Å; F32-F362 HydrophobicContact CD1-CB 4.22Å; F32-F362 AromaticContact CD1-CD1 3.66Å; F32-F362 HydrophobicContact CD1-CD1 3.66Å; F32-F362 AromaticContact CD1-CD2 3.81Å; F32-F362 HydrophobicContact CD1-CD2 3.81Å; F32-F362 AromaticContact CD1-CE1 3.88Å; F32-F362 HydrophobicContact CD1-CE1 3.88Å; F32-F362 AromaticContact CD1-CE2 3.99Å; F32-F362 HydrophobicContact CD1-CE2 3.99Å; F32-F362 AromaticContact CD1-CG 3.63Å; F32-F362 HydrophobicContact CD1-CG 3.63Å; F32-F362 HydrophobicContact CD1-CZ 4.03Å; F32-F362 HydrophobicContact CE1-CB 4.08Å; F32-F362 HydrophobicContact CE1-CD1 4.06Å; F32-F362 HydrophobicContact CE1-CD2 4.49Å; F32-F362 AromaticContact CE1-CG 3.97Å; F32-F362 HydrophobicContact CE1-CG 3.97Å; F32-F362 HydrophobicContact CG-CD2 4.3Å; F32-F362 HydrophobicContact CG-CE2 4.29Å; F32-F362 VanDerWaalsContact O-CZ 3.31Å; F32-F362 WeakPolarHBondContact O-CZ 3.5Å; F32-A365 HydrophobicContact CE1-CB 4.22Å; F32-P369 HydrophobicContact CD1-CB 4.3Å; F32-P369 HydrophobicContact CE1-CB 3.65Å; F32-P369 HydrophobicContact CE1-CG 3.75Å; F32-P369 HydrophobicContact CE2-CG 3.9Å; F32-P369 HydrophobicContact CZ-CB 3.81Å; F32-P369 HydrophobicContact CZ-CG 3.33Å; F32-T375 HydrophobicContact CD1-CG2 3.74Å; F32-T375 HydrophobicContact CE1-CG2 3.97Å
33S95.5Very high91.9Very high2 Ų230.5 Ų30.51%0.01415%0.151CC..SBendtrans-139.2-179.6-179.867.70000111.1C30 D35 Y57 K379C30-S33 WeakPolarHBondContact CB-O 3.32Å; C30-S33 PolarHBondContact SG-N 2.75Å; C30-S33 VanDerWaalsContact SG-N 3.35Å; C30-S33 PolarHBondContact SG-OG 3.3Å; S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 WeakPolarHBondContact CB-OD1 3.22Å; S33-D35 PolarHBondContact OG-N 2.99Å; S33-D35 PolarHBondContact OG-OD1 2.86Å; S33-Y57 WeakPolarHBondContact OG-CE2 3.26Å; S33-K379 VanDerWaalsContact C-CE 3.46Å; S33-K379 WeakPolarHBondContact O-CE 3.4Å; S33-K379 PolarHBondContact O-NZ 3.33Å
34F94.6Very high92.5Very high17 Ų1729.1 Ų29.18%0.07514%0.143CC..SBendtrans-91.921.5172.8-64.3-77.6000112.6T36 K379 L380 Y389 I412F34-T36 PolarHBondContact O-N 2.66Å; F34-K379 HydrophobicContact CD2-CG 4.41Å; F34-K379 HydrophobicContact CE2-CG 3.96Å; F34-K379 WeakPolarHBondContact CE2-O 3.27Å; F34-K379 HydrophobicContact CZ-CG 4.13Å; F34-L380 HydrophobicContact CZ-CD1 4.26Å; F34-Y389 HydrophobicContact CB-CD1 4.37Å; F34-Y389 HydrophobicContact CB-CE1 3.74Å; F34-Y389 HydrophobicContact CB-CE2 4.22Å; F34-Y389 HydrophobicContact CD2-CE2 4.05Å; F34-Y389 PolarHBondContact N-OH 3.39Å; F34-I412 HydrophobicContact CB-CG2 4.49Å; F34-I412 HydrophobicContact CD1-CB 4.28Å; F34-I412 HydrophobicContact CD2-CB 4.12Å; F34-I412 HydrophobicContact CD2-CG2 3.77Å; F34-I412 HydrophobicContact CE1-CB 4.32Å; F34-I412 HydrophobicContact CE2-CB 4.16Å; F34-I412 HydrophobicContact CE2-CD1 3.88Å; F34-I412 HydrophobicContact CE2-CG2 4.13Å; F34-I412 HydrophobicContact CG-CB 4.17Å; F34-I412 HydrophobicContact CG-CG2 4.06Å; F34-I412 HydrophobicContact CZ-CB 4.26Å; F34-I412 HydrophobicContact CZ-CD1 3.98Å
35D93.1Very high93Very high17 Ų1724.2 Ų24.29%0.09112%0.124CC..  trans-63.3134.7172.9-62.722.6000109.4E29 C30 S33 S39 G54E29-D35 WeakPolarHBondContact CA-O 3.4Å; C30-D35 HydrophobicContact CB-CB 3.95Å; C30-D35 WeakPolarHBondContact CB-O 3.39Å; C30-D35 PolarHBondContact N-O 2.98Å; S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 WeakPolarHBondContact CB-OD1 3.22Å; S33-D35 PolarHBondContact OG-N 2.99Å; S33-D35 PolarHBondContact OG-OD1 2.86Å; D35-S39 WeakPolarHBondContact CA-OG 3.35Å; D35-G54 WeakPolarHBondContact OD2-CA 3.3Å
36T91.9Very high93.3Very high43 Ų4324.2 Ų24.226%0.26412%0.124SC..  trans-119.7172176.866.40000109.2D28 F34 E38 S39D28-T36 WeakPolarHBondContact O-CG2 3.33Å; F34-T36 PolarHBondContact O-N 2.66Å; T36-E38 PolarHBondContact O-N 3.31Å; T36-E38 VanDerWaalsContact O-N 3.08Å; T36-E38 PolarHBondContact OG1-N 3.09Å; T36-S39 PolarHBondContact N-OG 3.35Å; T36-S39 WeakPolarHBondContact O-CB 3.39Å; T36-S39 PolarHBondContact O-N 2.94Å; T36-S39 PolarHBondContact O-OG 3.47Å
37P92.3Very high93.4Very high3 Ų323.5 Ų23.52%0.01912%0.121CC..THydrogen-bonded Turntrans-55-23.7169.8-27.837000113.5K27 D28 S39 L43 L73 R74 R75K27-P37 WeakPolarHBondContact O-CG 3.41Å; D28-P37 WeakPolarHBondContact O-CD 3.44Å; P37-S39 VanDerWaalsContact C-N 3.34Å; P37-L43 HydrophobicContact CG-CB 4.15Å; P37-L43 HydrophobicContact CG-CD2 4.27Å; P37-L73 HydrophobicContact CB-CB 4.32Å; P37-L73 HydrophobicContact CG-CB 4.48Å; P37-R74 CarbonylContact O-C 3.56Å; P37-R74 WeakPolarHBondContact O-CA 3.23Å; P37-R75 HydrophobicContact CB-CB 4.16Å; P37-R75 HydrophobicContact CB-CG 3.75Å; P37-R75 PolarHBondContact O-N 3Å
38E89.2Confident93.6Very high77 Ų7724.8 Ų24.836%0.3613%0.129SC..THydrogen-bonded Turntrans-81.2-11.2178.8-63.1177-14600113.8T36 R75 R77T36-E38 PolarHBondContact O-N 3.31Å; T36-E38 VanDerWaalsContact O-N 3.08Å; T36-E38 PolarHBondContact OG1-N 3.09Å; E38-R75 WeakPolarHBondContact CA-O 3.44Å; E38-R75 HydrophobicContact CG-CB 3.71Å; E38-R77 IonicContact OE2-CZ 3.74Å; E38-R77 IonicContact OE2-NE 3.79Å; E38-R77 PolarHBondContact OE2-NE 2.66Å; E38-R77 IonicContact OE2-NH2 3.37Å; E38-R77 PolarHBondContact OE2-NH2 2.94Å
39S88.9Confident93.9Very high35 Ų3524.8 Ų24.825%0.24513%0.131CC..SBendtrans-68.4151.5174.1-54.10000111.2D35 T36 P37 G41 G42D35-S39 WeakPolarHBondContact CA-OG 3.35Å; T36-S39 PolarHBondContact N-OG 3.35Å; T36-S39 WeakPolarHBondContact O-CB 3.39Å; T36-S39 PolarHBondContact O-N 2.94Å; T36-S39 PolarHBondContact O-OG 3.47Å; P37-S39 VanDerWaalsContact C-N 3.34Å; S39-G41 PolarHBondContact O-N 3.01Å; S39-G42 PolarHBondContact O-N 3.06Å
40E86.6Confident94Very high176 Ų17624.2 Ų24.282%0.82213%0.128SC*.THydrogen-bonded Turntrans-51-36.9-177.2-168.8-144150.600113R74E40-R74 VanDerWaalsContact O-CZ 3.32Å; E40-R74 PolarHBondContact O-NE 2.97Å; E40-R74 VanDerWaalsContact O-NE 3.16Å; E40-R74 PolarHBondContact O-NH2 2.96Å
41G88.4Confident94Very high10 Ų1024.4 Ų24.410%0.10313%0.129CC..THydrogen-bonded Turntrans-79.1-13.1178.600000115.8S39 H72S39-G41 PolarHBondContact O-N 3.01Å; G41-H72 PolarHBondContact O-NE2 3.36Å
42G93.9Very high94Very high0 Ų024.3 Ų24.30%013%0.128CC..  trans60.5-169.5-166.500000113.2S39 L73S39-G42 PolarHBondContact O-N 3.06Å; G42-L73 CarbonylContact C-O 3.55Å; G42-L73 VanDerWaalsContact CA-O 3.26Å; G42-L73 WeakPolarHBondContact CA-O 3.44Å
43L96.8Very high94.1Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-122.5130.3-177.2-164.873.2000111.1K27 C30 P37 H72 L73K27-L43 WeakPolarHBondContact O-CD2 3.41Å; C30-L43 HydrophobicContact CB-CD1 3.87Å; P37-L43 HydrophobicContact CG-CB 4.15Å; P37-L43 HydrophobicContact CG-CD2 4.27Å; L43-H72 CarbonylContact O-C 3.55Å; L43-H72 WeakPolarHBondContact O-CA 3.44Å; L43-L73 PolarHBondContact N-O 3.43Å; L43-L73 PolarHBondContact O-N 3.17Å
44Y97.8Very high94.1Very high12 Ų1223.9 Ų23.95%0.04713%0.126CC..EExtended strand (participates in β ladder)trans-99.5109.9178.7-65-99.2000110.1G52 F53 K55 V58 H72 V123Y44-G52 CarbonylContact O-C 3.52Å; Y44-G52 WeakPolarHBondContact O-CA 3.33Å; Y44-F53 WeakPolarHBondContact CB-O 3.33Å; Y44-F53 PolarHBondContact N-O 3.21Å; Y44-F53 PolarHBondContact O-N 3.48Å; Y44-K55 HydrophobicContact CE2-CB 3.99Å; Y44-K55 HydrophobicContact CE2-CG 4.33Å; Y44-V58 HydrophobicContact CD1-CG2 4.24Å; Y44-V58 HydrophobicContact CD2-CB 4.29Å; Y44-V58 HydrophobicContact CD2-CG1 4.32Å; Y44-V58 HydrophobicContact CG-CB 4.12Å; Y44-V58 HydrophobicContact CG-CG1 4.37Å; Y44-V58 HydrophobicContact CG-CG2 3.96Å; Y44-H72 HydrophobicContact CD1-CB 4.09Å; Y44-H72 AromaticContact CD1-CD2 3.79Å; Y44-H72 AromaticContact CD2-CD2 3.7Å; Y44-H72 HydrophobicContact CE1-CB 4.1Å; Y44-H72 AromaticContact CE1-CD2 3.51Å; Y44-H72 AromaticContact CE1-CG 3.95Å; Y44-H72 AromaticContact CE2-CD2 3.39Å; Y44-H72 WeakPolarHBondContact CE2-CD2 3.41Å; Y44-H72 AromaticContact CE2-NE2 3.72Å; Y44-H72 AromaticContact CG-CD2 3.87Å; Y44-H72 AromaticContact CZ-CD2 3.3Å; Y44-H72 AromaticContact CZ-NE2 3.72Å; Y44-V123 HydrophobicContact CD1-CB 4.41Å; Y44-V123 HydrophobicContact CE1-CB 4.13Å; Y44-V123 HydrophobicContact CE1-CG1 4.1Å; Y44-V123 HydrophobicContact CE1-CG2 4.1Å
45I97.6Very high94.1Very high1 Ų128.1 Ų28.11%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-92.5118.7179.4-52.6174.2000109.4K27 M47 L51 Y70 L71 L73 L154K27-I45 HydrophobicContact CB-CD1 3.5Å; I45-M47 PolarHBondContact O-N 3.46Å; I45-L51 CarbonylContact C-O 3.5Å; I45-L51 WeakPolarHBondContact CA-O 3.23Å; I45-Y70 CarbonylContact O-C 3.58Å; I45-Y70 WeakPolarHBondContact O-CA 3.45Å; I45-L71 HydrophobicContact CB-CB 4.33Å; I45-L71 PolarHBondContact N-O 3.11Å; I45-L71 PolarHBondContact O-N 2.71Å; I45-L73 HydrophobicContact CD1-CD1 3.58Å; I45-L73 HydrophobicContact CD1-CD2 3.89Å; I45-L73 HydrophobicContact CD1-CG 4.32Å; I45-L73 HydrophobicContact CG1-CD1 4.28Å; I45-L154 HydrophobicContact CG2-CD2 4.1Å
46C97.1Very high94.1Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-60.9118173.5171.70000110.2N48 T49 F50 L51 F53 H61 Y70C46-N48 PolarHBondContact O-N 2.97Å; C46-N48 VanDerWaalsContact O-N 3.1Å; C46-N48 PolarHBondContact SG-N 3.29Å; C46-N48 VanDerWaalsContact SG-N 3.43Å; C46-T49 WeakPolarHBondContact CB-OG1 3.49Å; C46-T49 PolarHBondContact SG-N 3.48Å; C46-T49 PolarHBondContact SG-OG1 3.01Å; C46-F50 WeakPolarHBondContact O-CA 3.44Å; C46-F50 PolarHBondContact O-N 3.33Å; C46-L51 PolarHBondContact N-O 3.45Å; C46-F53 HydrophobicContact CB-CE2 4.14Å; C46-H61 VanDerWaalsContact SG-CE1 3.56Å; C46-Y70 HydrophobicContact CB-CD1 4.17Å; C46-Y70 HydrophobicContact CB-CE1 4.01Å
47M96.1Very high94.3Very high0 Ų032.8 Ų32.80%016%0.162CC..THydrogen-bonded Turntrans-73.81.8-179.6-62.1-170.28100114I16 R17 I45 V69 L71 A150 V151 L154I16-M47 HydrophobicContact CD1-SD 4.5Å; I16-M47 HydrophobicContact CG1-CB 4.47Å; I16-M47 HydrophobicContact CG2-CB 4.39Å; I16-M47 HydrophobicContact CG2-CE 3.92Å; R17-M47 PolarHBondContact N-O 2.83Å; I45-M47 PolarHBondContact O-N 3.46Å; M47-V69 HydrophobicContact CG-CG1 4.32Å; M47-V69 PolarHBondContact N-O 2.99Å; M47-V69 HydrophobicContact SD-CG1 3.62Å; M47-L71 HydrophobicContact CG-CB 4.16Å; M47-L71 HydrophobicContact SD-CB 4.43Å; M47-A150 HydrophobicContact CE-CB 3.72Å; M47-V151 HydrophobicContact CE-CG2 3.85Å; M47-L154 HydrophobicContact CE-CD1 4.08Å; M47-L154 HydrophobicContact CG-CD1 4.17Å
48N95.4Very high94.5Very high54 Ų5432.6 Ų32.629%0.28916%0.161SC..THydrogen-bonded Turntrans-102.4-50.3175-172.437.9000112.6T15 R17 C46T15-N48 VanDerWaalsContact O-CA 3.3Å; T15-N48 WeakPolarHBondContact O-CA 3.47Å; T15-N48 WeakPolarHBondContact O-CB 3.27Å; T15-N48 PolarHBondContact O-OD1 3.31Å; R17-N48 WeakPolarHBondContact CD-O 3.47Å; R17-N48 WeakPolarHBondContact CD-OD1 3.37Å; R17-N48 WeakPolarHBondContact CG-OD1 3.45Å; C46-N48 PolarHBondContact O-N 2.97Å; C46-N48 VanDerWaalsContact O-N 3.1Å; C46-N48 PolarHBondContact SG-N 3.29Å; C46-N48 VanDerWaalsContact SG-N 3.43Å
49T94.4Very high94.8Very high46 Ų4633.5 Ų33.528%0.28217%0.165SC..THydrogen-bonded Turntrans-102-11.8-175.258.80000113.4C46 L51C46-T49 WeakPolarHBondContact CB-OG1 3.49Å; C46-T49 PolarHBondContact SG-N 3.48Å; C46-T49 PolarHBondContact SG-OG1 3.01Å; T49-L51 PolarHBondContact O-N 3.4Å
50F96.1Very high95.1Very high7 Ų734.6 Ų34.63%0.03116%0.164CC..  trans63.720.6-177.5-39.5-44.7000114.6R17 P19 D23 V25 H26 C46 L154R17-F50 HydrophobicContact CB-CE1 4.01Å; R17-F50 HydrophobicContact CB-CZ 3.7Å; R17-F50 WeakPolarHBondContact O-CE1 3.48Å; P19-F50 HydrophobicContact CB-CD2 4.43Å; P19-F50 HydrophobicContact CB-CE2 4.07Å; P19-F50 HydrophobicContact CB-CZ 4.12Å; P19-F50 HydrophobicContact CG-CD1 3.97Å; P19-F50 HydrophobicContact CG-CD2 4.33Å; P19-F50 HydrophobicContact CG-CE1 3.68Å; P19-F50 HydrophobicContact CG-CE2 4.06Å; P19-F50 HydrophobicContact CG-CG 4.28Å; P19-F50 HydrophobicContact CG-CZ 3.72Å; D23-F50 HydrophobicContact CB-CD2 4.02Å; D23-F50 HydrophobicContact CB-CE2 3.99Å; V25-F50 HydrophobicContact CB-CB 4.37Å; V25-F50 HydrophobicContact CG1-CB 4.35Å; V25-F50 HydrophobicContact CG2-CB 4.08Å; V25-F50 HydrophobicContact CG2-CD2 4.46Å; V25-F50 HydrophobicContact CG2-CG 4.34Å; H26-F50 PolarHBondContact N-O 3.06Å; C46-F50 WeakPolarHBondContact O-CA 3.44Å; C46-F50 PolarHBondContact O-N 3.33Å; F50-L154 HydrophobicContact CB-CD2 4.33Å; F50-L154 HydrophobicContact CD1-CD2 3.7Å; F50-L154 HydrophobicContact CE1-CD2 4.35Å; F50-L154 HydrophobicContact CG-CD2 4.22Å
51L96.3Very high95.5Very high4 Ų426.6 Ų26.62%0.02113%0.127CC..  trans-81.3139.1172.8-62.9174.9000111.1I45 C46 T49 F53 T367 D368 T370I45-L51 CarbonylContact C-O 3.5Å; I45-L51 WeakPolarHBondContact CA-O 3.23Å; C46-L51 PolarHBondContact N-O 3.45Å; T49-L51 PolarHBondContact O-N 3.4Å; L51-F53 HydrophobicContact CB-CE2 3.62Å; L51-F53 HydrophobicContact CB-CZ 3.56Å; L51-F53 HydrophobicContact CD1-CZ 4.05Å; L51-F53 HydrophobicContact CG-CZ 4.47Å; L51-T367 VanDerWaalsContact CD1-O 3.28Å; L51-T367 WeakPolarHBondContact CD1-O 3.49Å; L51-D368 HydrophobicContact CD1-CB 4.35Å; L51-T370 HydrophobicContact CD2-CG2 3.93Å
52G96.4Very high95.9Very high0 Ų028.3 Ų28.30%013%0.131CC..EExtended strand (participates in β ladder)trans-95.1137.8176.500000112.6H26 C30 A31 Y44H26-G52 VanDerWaalsContact O-CA 3.27Å; H26-G52 WeakPolarHBondContact O-CA 3.43Å; H26-G52 PolarHBondContact O-N 2.63Å; C30-G52 WeakPolarHBondContact CA-O 3.43Å; A31-G52 PolarHBondContact N-O 3.45Å; Y44-G52 CarbonylContact O-C 3.52Å; Y44-G52 WeakPolarHBondContact O-CA 3.33Å
53F97.4Very high95.9Very high0 Ų034 Ų340%016%0.162CC..EExtended strand (participates in β ladder)trans-134131.8178.8-56.6-76.4000110.7A31 F32 Y44 C46 L51 V58 H61 Y70A31-F53 HydrophobicContact CB-CD1 4.25Å; A31-F53 HydrophobicContact CB-CE1 3.91Å; F32-F53 AromaticContact CD2-CD1 3.81Å; F32-F53 HydrophobicContact CD2-CD1 3.81Å; F32-F53 HydrophobicContact CD2-CE1 4Å; F32-F53 AromaticContact CE2-CD1 3.84Å; F32-F53 HydrophobicContact CE2-CD1 3.84Å; F32-F53 AromaticContact CE2-CE1 3.63Å; F32-F53 HydrophobicContact CE2-CE1 3.63Å; Y44-F53 WeakPolarHBondContact CB-O 3.33Å; Y44-F53 PolarHBondContact N-O 3.21Å; Y44-F53 PolarHBondContact O-N 3.48Å; C46-F53 HydrophobicContact CB-CE2 4.14Å; L51-F53 HydrophobicContact CB-CE2 3.62Å; L51-F53 HydrophobicContact CB-CZ 3.56Å; L51-F53 HydrophobicContact CD1-CZ 4.05Å; L51-F53 HydrophobicContact CG-CZ 4.47Å; F53-V58 HydrophobicContact CB-CB 4.21Å; F53-H61 HydrophobicContact CD1-CB 4.31Å; F53-H61 HydrophobicContact CD2-CB 4.08Å; F53-H61 HydrophobicContact CE1-CB 4.07Å; F53-H61 HydrophobicContact CE2-CB 3.82Å; F53-H61 AromaticContact CE2-CD2 3.48Å; F53-H61 VanDerWaalsContact CE2-CD2 3.48Å; F53-H61 WeakPolarHBondContact CE2-CD2 3.48Å; F53-H61 AromaticContact CE2-CG 3.44Å; F53-H61 VanDerWaalsContact CE2-CG 3.44Å; F53-H61 AromaticContact CE2-ND1 3.9Å; F53-H61 AromaticContact CE2-NE2 3.95Å; F53-H61 HydrophobicContact CG-CB 4.31Å; F53-H61 HydrophobicContact CZ-CB 3.82Å; F53-H61 AromaticContact CZ-CD2 3.23Å; F53-H61 WeakPolarHBondContact CZ-CD2 3.49Å; F53-H61 AromaticContact CZ-CG 3.55Å; F53-H61 AromaticContact CZ-NE2 3.98Å; F53-Y70 HydrophobicContact CD2-CE1 4.24Å
54G95.9Very high95.8Very high0 Ų038.4 Ų38.40%018%0.181CC..EExtended strand (participates in β ladder)trans-65.3164.7170.800000111.5C30 D35 Q56 Y57 V58C30-G54 PolarHBondContact SG-N 3.48Å; D35-G54 WeakPolarHBondContact OD2-CA 3.3Å; G54-Q56 PolarHBondContact O-N 3.02Å; G54-Q56 VanDerWaalsContact O-N 3.15Å; G54-Y57 PolarHBondContact O-N 3.41Å; G54-V58 PolarHBondContact O-N 3.31Å; G54-V58 VanDerWaalsContact O-N 3.1Å
55K95.1Very high95.6Very high105 Ų10540.7 Ų40.746%0.45720%0.196SC..THydrogen-bonded Turntrans-53.5-38.2-176.4-177.8178172.3-175.90113.2Y44 Y57Y44-K55 HydrophobicContact CE2-CB 3.99Å; Y44-K55 HydrophobicContact CE2-CG 4.33Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 3.08Å
56Q93.4Very high95.4Very high141 Ų14143 Ų4366%0.65922%0.221SC*.THydrogen-bonded Turntrans-75.8-16.4-179.6-61.1-1725.600113.8G54G54-Q56 PolarHBondContact O-N 3.02Å; G54-Q56 VanDerWaalsContact O-N 3.15Å
57Y95.6Very high95.4Very high17 Ų1743.4 Ų43.47%0.06722%0.223CC..THydrogen-bonded Turntrans-112.7-14.2-170-59.7-77.5000113.9F32 S33 G54 K55 E59 R60 H61 F362F32-Y57 HydrophobicContact CB-CD1 3.65Å; F32-Y57 HydrophobicContact CB-CD2 4.3Å; F32-Y57 HydrophobicContact CB-CE1 4.04Å; F32-Y57 HydrophobicContact CB-CG 3.8Å; F32-Y57 HydrophobicContact CD2-CD1 4.38Å; F32-Y57 HydrophobicContact CD2-CG 4.37Å; F32-Y57 HydrophobicContact CG-CD1 4.2Å; F32-Y57 HydrophobicContact CG-CG 4.45Å; S33-Y57 WeakPolarHBondContact OG-CE2 3.26Å; G54-Y57 PolarHBondContact O-N 3.41Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 3.08Å; Y57-E59 VanDerWaalsContact C-N 3.26Å; Y57-E59 PolarHBondContact O-N 3.45Å; Y57-R60 WeakPolarHBondContact O-CB 3.33Å; Y57-R60 PolarHBondContact O-N 3.2Å; Y57-H61 PolarHBondContact O-N 3.28Å; Y57-F362 HydrophobicContact CD1-CD2 4.46Å; Y57-F362 HydrophobicContact CD1-CE2 4.4Å; Y57-F362 HydrophobicContact CE1-CD2 4.1Å; Y57-F362 AromaticContact CE1-CE2 3.76Å; Y57-F362 HydrophobicContact CE1-CE2 3.76Å
58V96.6Very high95.4Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-59.4-36.8178.368.50000112.3Y44 F53 G54 R60 H61 F62 Y70 L125 Y128Y44-V58 HydrophobicContact CD1-CG2 4.24Å; Y44-V58 HydrophobicContact CD2-CB 4.29Å; Y44-V58 HydrophobicContact CD2-CG1 4.32Å; Y44-V58 HydrophobicContact CG-CB 4.12Å; Y44-V58 HydrophobicContact CG-CG1 4.37Å; Y44-V58 HydrophobicContact CG-CG2 3.96Å; F53-V58 HydrophobicContact CB-CB 4.21Å; G54-V58 PolarHBondContact O-N 3.31Å; G54-V58 VanDerWaalsContact O-N 3.1Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 2.87Å; V58-H61 PolarHBondContact O-N 2.92Å; V58-F62 PolarHBondContact O-N 2.84Å; V58-Y70 HydrophobicContact CG2-CD1 3.79Å; V58-Y70 HydrophobicContact CG2-CD2 3.99Å; V58-Y70 HydrophobicContact CG2-CE1 3.66Å; V58-Y70 HydrophobicContact CG2-CE2 3.88Å; V58-Y70 HydrophobicContact CG2-CG 3.96Å; V58-L125 HydrophobicContact CG1-CD2 4.28Å; V58-L125 HydrophobicContact CG2-CD1 4.42Å; V58-L125 HydrophobicContact CG2-CD2 4.15Å; V58-Y128 HydrophobicContact CG1-CE1 4.35Å
59E95.7Very high95.4Very high95 Ų9543.2 Ų43.244%0.44422%0.218SC..Hα-helixtrans-63.4-32.2176.8-67.9-177.6-176.700112.4Y57 F62 N63 L125 Y128Y57-E59 VanDerWaalsContact C-N 3.26Å; Y57-E59 PolarHBondContact O-N 3.45Å; E59-F62 PolarHBondContact O-N 3.03Å; E59-N63 WeakPolarHBondContact O-CB 2.89Å; E59-N63 PolarHBondContact O-N 3.41Å; E59-N63 PolarHBondContact O-ND2 3.06Å; E59-N63 VanDerWaalsContact O-ND2 3.13Å; E59-L125 HydrophobicContact CG-CD2 4.38Å; E59-Y128 VanDerWaalsContact CG-OH 3.26Å; E59-Y128 WeakPolarHBondContact CG-OH 3.24Å; E59-Y128 PolarHBondContact OE1-OH 2.71Å
60R94.7Very high95.6Very high58 Ų5841 Ų4122%0.21920%0.204CC..Hα-helixtrans-65.3-44.8175.4-64.6-176.6-174.4-101.9-7.2111.1Y57 V58 N63 K64 E359Y57-R60 WeakPolarHBondContact O-CB 3.33Å; Y57-R60 PolarHBondContact O-N 3.2Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 2.87Å; R60-N63 PolarHBondContact O-N 3.17Å; R60-K64 WeakPolarHBondContact O-CB 3.4Å; R60-K64 WeakPolarHBondContact O-CG 3.34Å; R60-K64 PolarHBondContact O-N 3.19Å; R60-E359 IonicContact CZ-OE1 2.67Å; R60-E359 IonicContact CZ-OE2 2.76Å; R60-E359 IonicContact NH1-OE1 3.52Å; R60-E359 IonicContact NH1-OE2 2.77Å; R60-E359 PolarHBondContact NH1-OE2 2.9Å; R60-E359 IonicContact NH2-OE1 3.56Å; R60-E359 PolarHBondContact NH2-OE1 2.94Å; R60-E359 IonicContact NH2-OE2 3.93Å; R60-E359 PolarHBondContact NH2-OE2 3.27Å
61H95.5Very high95.6Very high9 Ų940.7 Ų40.74%0.04220%0.203CC..Hα-helixtrans-64.1-43.6177.7-178.2-94.2000110.8C46 F53 Y57 V58 K64 T65 Y70C46-H61 VanDerWaalsContact SG-CE1 3.56Å; F53-H61 HydrophobicContact CD1-CB 4.31Å; F53-H61 HydrophobicContact CD2-CB 4.08Å; F53-H61 HydrophobicContact CE1-CB 4.07Å; F53-H61 HydrophobicContact CE2-CB 3.82Å; F53-H61 AromaticContact CE2-CD2 3.48Å; F53-H61 VanDerWaalsContact CE2-CD2 3.48Å; F53-H61 WeakPolarHBondContact CE2-CD2 3.48Å; F53-H61 AromaticContact CE2-CG 3.44Å; F53-H61 VanDerWaalsContact CE2-CG 3.44Å; F53-H61 AromaticContact CE2-ND1 3.9Å; F53-H61 AromaticContact CE2-NE2 3.95Å; F53-H61 HydrophobicContact CG-CB 4.31Å; F53-H61 HydrophobicContact CZ-CB 3.82Å; F53-H61 AromaticContact CZ-CD2 3.23Å; F53-H61 WeakPolarHBondContact CZ-CD2 3.49Å; F53-H61 AromaticContact CZ-CG 3.55Å; F53-H61 AromaticContact CZ-NE2 3.98Å; Y57-H61 PolarHBondContact O-N 3.28Å; V58-H61 PolarHBondContact O-N 2.92Å; H61-K64 PolarHBondContact O-N 3.16Å; H61-T65 PolarHBondContact CE1-OG1 3.19Å; H61-T65 VanDerWaalsContact CE1-OG1 3.22Å; H61-T65 PolarHBondContact ND1-OG1 3.02Å; H61-T65 WeakPolarHBondContact O-CB 3.45Å; H61-T65 PolarHBondContact O-N 3.08Å; H61-T65 PolarHBondContact O-OG1 3.08Å; H61-Y70 AromaticContact ND1-CE1 3.66Å; H61-Y70 AromaticContact ND1-CZ 3.68Å; H61-Y70 PolarHBondContact ND1-OH 3.27Å
62F95.9Very high95.7Very high45 Ų4540.5 Ų40.520%0.19720%0.202CC..Hα-helixtrans-56.5-51.2173.5165.7-109.6000111.9V58 E59 K64 G66 Q67 R68 Y70 L125 P126V58-F62 PolarHBondContact O-N 2.84Å; E59-F62 PolarHBondContact O-N 3.03Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 3.02Å; F62-G66 VanDerWaalsContact O-CA 3.26Å; F62-G66 WeakPolarHBondContact O-CA 3.41Å; F62-G66 PolarHBondContact O-N 3.41Å; F62-Q67 WeakPolarHBondContact CD2-O 3.29Å; F62-R68 HydrophobicContact CD2-CG 4.18Å; F62-R68 HydrophobicContact CE2-CG 3.79Å; F62-Y70 PolarHBondContact N-OH 2.91Å; F62-L125 HydrophobicContact CB-CD2 3.65Å; F62-L125 HydrophobicContact CD1-CD2 4.33Å; F62-L125 HydrophobicContact CD2-CB 4.11Å; F62-L125 HydrophobicContact CE2-CB 4.49Å; F62-L125 HydrophobicContact CG-CB 4.18Å; F62-L125 HydrophobicContact CG-CD2 3.96Å; F62-P126 HydrophobicContact CE1-CB 4.01Å; F62-P126 HydrophobicContact CZ-CB 4.1Å; F62-P126 HydrophobicContact CZ-CG 4.33Å
63N95.1Very high95.6Very high119 Ų11940.7 Ų40.764%0.63620%0.203SC*.Hα-helixtrans-63.9-34.5-178.2-70-26.1000113E59 R60E59-N63 WeakPolarHBondContact O-CB 2.89Å; E59-N63 PolarHBondContact O-N 3.41Å; E59-N63 PolarHBondContact O-ND2 3.06Å; E59-N63 VanDerWaalsContact O-ND2 3.13Å; R60-N63 PolarHBondContact O-N 3.17Å
64K93.4Very high95.4Very high94 Ų9444.2 Ų44.241%0.40922%0.216SC..Hα-helixtrans-83.1-36.4-178.7-69.4179.975.9169.70113.7R60 H61 F62 F362 Q363 A365R60-K64 WeakPolarHBondContact O-CB 3.4Å; R60-K64 WeakPolarHBondContact O-CG 3.34Å; R60-K64 PolarHBondContact O-N 3.19Å; H61-K64 PolarHBondContact O-N 3.16Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 3.02Å; K64-F362 PolarHBondContact NZ-O 3.39Å; K64-Q363 WeakPolarHBondContact CE-O 3.16Å; K64-Q363 PolarHBondContact NZ-O 2.84Å; K64-A365 PolarHBondContact NZ-O 3.18Å
65T93.6Very high95.1Very high59 Ų5947 Ų4736%0.36223%0.227SC..Hα-helixtrans-110.4-15.6-170.168.20000113.8H61 Q67 T367H61-T65 PolarHBondContact CE1-OG1 3.19Å; H61-T65 VanDerWaalsContact CE1-OG1 3.22Å; H61-T65 PolarHBondContact ND1-OG1 3.02Å; H61-T65 WeakPolarHBondContact O-CB 3.45Å; H61-T65 PolarHBondContact O-N 3.08Å; H61-T65 PolarHBondContact O-OG1 3.08Å; T65-Q67 PolarHBondContact O-N 3.31Å; T65-Q67 WeakPolarHBondContact OG1-CB 3.24Å; T65-Q67 PolarHBondContact OG1-N 3.13Å; T65-T367 HydrophobicContact CG2-CG2 4.26Å
66G94.3Very high94.6Very high51 Ų5145.4 Ų45.453%0.52623%0.226SC..  trans73.73.6-171.200000114.2F62 R68F62-G66 VanDerWaalsContact O-CA 3.26Å; F62-G66 WeakPolarHBondContact O-CA 3.41Å; F62-G66 PolarHBondContact O-N 3.41Å; G66-R68 PolarHBondContact O-N 3.44Å
67Q95.7Very high93.8Very high8 Ų845.7 Ų45.74%0.03722%0.221CC..  trans-67.5121.7179.7178.66717.800111.2T15 F62 T65 V69 Y70T15-Q67 PolarHBondContact OG1-NE2 3.41Å; T15-Q67 PolarHBondContact OG1-OE1 3.08Å; F62-Q67 WeakPolarHBondContact CD2-O 3.29Å; T65-Q67 PolarHBondContact O-N 3.31Å; T65-Q67 WeakPolarHBondContact OG1-CB 3.24Å; T65-Q67 PolarHBondContact OG1-N 3.13Å; Q67-V69 PolarHBondContact NE2-O 3.1Å; Q67-Y70 HydrophobicContact CG-CE1 4.33Å; Q67-Y70 HydrophobicContact CG-CE2 4.32Å; Q67-Y70 VanDerWaalsContact O-CE2 3.28Å; Q67-Y70 WeakPolarHBondContact O-CE2 3.04Å; Q67-Y70 PolarHBondContact O-OH 3.09Å
68R96.3Very high92.6Very high49 Ų4952.6 Ų52.619%0.18525%0.247CC..  trans-97.6-32.9-179.2-66.7-179.970.9-170.17.4114.5E3 V12 F62 G66 Y70 I124 L125E3-R68 IonicContact OE1-NH1 2.85Å; E3-R68 IonicContact OE1-NH2 3.92Å; E3-R68 IonicContact OE2-CZ 3.59Å; E3-R68 IonicContact OE2-NH2 3.8Å; E3-R68 PolarHBondContact OE2-NH2 3.32Å; V12-R68 HydrophobicContact CG1-CB 3.89Å; V12-R68 HydrophobicContact CG1-CG 4.27Å; F62-R68 HydrophobicContact CD2-CG 4.18Å; F62-R68 HydrophobicContact CE2-CG 3.79Å; G66-R68 PolarHBondContact O-N 3.44Å; R68-Y70 WeakPolarHBondContact O-CD2 3.3Å; R68-Y70 WeakPolarHBondContact O-CE2 3.32Å; R68-I124 HydrophobicContact CB-CG2 4.05Å; R68-I124 CarbonylContact O-C 3.59Å; R68-I124 WeakPolarHBondContact O-CA 3.32Å; R68-L125 PolarHBondContact NE-O 2.77Å; R68-L125 PolarHBondContact O-N 3.27Å
69V96.5Very high91Very high0 Ų058.4 Ų58.40%028%0.277CS..EExtended strand (participates in β ladder)trans-98.1129.4-171.3-167.90000112.3V12 I16 M47 Q67 I122 I124V12-V69 HydrophobicContact CB-CG2 3.65Å; V12-V69 HydrophobicContact CG1-CG2 4.49Å; V12-V69 HydrophobicContact CG2-CG2 3.05Å; I16-V69 HydrophobicContact CD1-CG1 4.15Å; I16-V69 HydrophobicContact CG1-CG1 4.41Å; M47-V69 HydrophobicContact CG-CG1 4.32Å; M47-V69 PolarHBondContact N-O 2.99Å; M47-V69 HydrophobicContact SD-CG1 3.62Å; Q67-V69 PolarHBondContact NE2-O 3.1Å; V69-I122 HydrophobicContact CG1-CG2 3.74Å; V69-I124 HydrophobicContact CG2-CG1 4.43Å
70Y97.6Very high89.2Confident0 Ų061 Ų610%029%0.287CS..EExtended strand (participates in β ladder)trans-132.8146.3177.5-58.4-95.5000110.9I45 C46 F53 V58 H61 F62 Q67 R68 I122 V123 L125I45-Y70 CarbonylContact O-C 3.58Å; I45-Y70 WeakPolarHBondContact O-CA 3.45Å; C46-Y70 HydrophobicContact CB-CD1 4.17Å; C46-Y70 HydrophobicContact CB-CE1 4.01Å; F53-Y70 HydrophobicContact CD2-CE1 4.24Å; V58-Y70 HydrophobicContact CG2-CD1 3.79Å; V58-Y70 HydrophobicContact CG2-CD2 3.99Å; V58-Y70 HydrophobicContact CG2-CE1 3.66Å; V58-Y70 HydrophobicContact CG2-CE2 3.88Å; V58-Y70 HydrophobicContact CG2-CG 3.96Å; H61-Y70 AromaticContact ND1-CE1 3.66Å; H61-Y70 AromaticContact ND1-CZ 3.68Å; H61-Y70 PolarHBondContact ND1-OH 3.27Å; F62-Y70 PolarHBondContact N-OH 2.91Å; Q67-Y70 HydrophobicContact CG-CE1 4.33Å; Q67-Y70 HydrophobicContact CG-CE2 4.32Å; Q67-Y70 VanDerWaalsContact O-CE2 3.28Å; Q67-Y70 WeakPolarHBondContact O-CE2 3.04Å; Q67-Y70 PolarHBondContact O-OH 3.09Å; R68-Y70 WeakPolarHBondContact O-CD2 3.3Å; R68-Y70 WeakPolarHBondContact O-CE2 3.32Å; Y70-I122 WeakPolarHBondContact O-CA 3.41Å; Y70-V123 PolarHBondContact N-O 2.88Å; Y70-V123 PolarHBondContact O-N 3.47Å; Y70-L125 HydrophobicContact CD2-CD1 3.94Å; Y70-L125 HydrophobicContact CE2-CD1 4.1Å; Y70-L125 HydrophobicContact CE2-CD2 4.29Å
71L96.9Very high87Confident0 Ų067.2 Ų67.20%032%0.319CS..EExtended strand (participates in β ladder)trans-91.6112.1165.2-174.965.9000107.9I45 M47 L73 V120 I122 V151 L154 L155I45-L71 HydrophobicContact CB-CB 4.33Å; I45-L71 PolarHBondContact N-O 3.11Å; I45-L71 PolarHBondContact O-N 2.71Å; M47-L71 HydrophobicContact CG-CB 4.16Å; M47-L71 HydrophobicContact SD-CB 4.43Å; L71-L73 HydrophobicContact CB-CD1 4.44Å; L71-L73 HydrophobicContact CD2-CD1 3.84Å; L71-L73 HydrophobicContact CG-CD1 3.66Å; L71-V120 HydrophobicContact CD1-CG1 3.47Å; L71-V120 VanDerWaalsContact CD1-CG1 3.47Å; L71-V120 HydrophobicContact CD2-CG1 4.31Å; L71-V120 HydrophobicContact CG-CG1 3.96Å; L71-I122 HydrophobicContact CD1-CG1 4.24Å; L71-V151 HydrophobicContact CD1-CG1 4.05Å; L71-V151 HydrophobicContact CD1-CG2 3.88Å; L71-V151 HydrophobicContact CD2-CG1 4.32Å; L71-L154 HydrophobicContact CB-CD1 4.23Å; L71-L154 HydrophobicContact CD2-CB 3.82Å; L71-L154 HydrophobicContact CD2-CD1 3.74Å; L71-L154 HydrophobicContact CD2-CG 4.42Å; L71-L155 HydrophobicContact CD2-CD2 4.48Å
72H97.4Very high84.6Confident0 Ų075 Ų750%036%0.355CS..EExtended strand (participates in β ladder)trans-90.1124.4179.1-179.6-109.5000110.2G41 L43 Y44 V120 K121 V123G41-H72 PolarHBondContact O-NE2 3.36Å; L43-H72 CarbonylContact O-C 3.55Å; L43-H72 WeakPolarHBondContact O-CA 3.44Å; Y44-H72 HydrophobicContact CD1-CB 4.09Å; Y44-H72 AromaticContact CD1-CD2 3.79Å; Y44-H72 AromaticContact CD2-CD2 3.7Å; Y44-H72 HydrophobicContact CE1-CB 4.1Å; Y44-H72 AromaticContact CE1-CD2 3.51Å; Y44-H72 AromaticContact CE1-CG 3.95Å; Y44-H72 AromaticContact CE2-CD2 3.39Å; Y44-H72 WeakPolarHBondContact CE2-CD2 3.41Å; Y44-H72 AromaticContact CE2-NE2 3.72Å; Y44-H72 AromaticContact CG-CD2 3.87Å; Y44-H72 AromaticContact CZ-CD2 3.3Å; Y44-H72 AromaticContact CZ-NE2 3.72Å; H72-V120 WeakPolarHBondContact O-CA 3.31Å; H72-K121 HydrophobicContact CB-CG 3.87Å; H72-K121 PolarHBondContact N-O 2.75Å; H72-K121 WeakPolarHBondContact ND1-CE 3.01Å; H72-K121 PolarHBondContact O-N 3.29Å; H72-V123 HydrophobicContact CB-CG2 3.68Å
73L94.4Very high81.8Confident4 Ų478.9 Ų78.92%0.02138%0.378CS..EExtended strand (participates in β ladder)trans-113.5129.4177.3-84.365.5000109.1K27 P37 G42 L43 I45 L71 V120 L155K27-L73 HydrophobicContact CB-CD2 4.37Å; P37-L73 HydrophobicContact CB-CB 4.32Å; P37-L73 HydrophobicContact CG-CB 4.48Å; G42-L73 CarbonylContact C-O 3.55Å; G42-L73 VanDerWaalsContact CA-O 3.26Å; G42-L73 WeakPolarHBondContact CA-O 3.44Å; L43-L73 PolarHBondContact N-O 3.43Å; L43-L73 PolarHBondContact O-N 3.17Å; I45-L73 HydrophobicContact CD1-CD1 3.58Å; I45-L73 HydrophobicContact CD1-CD2 3.89Å; I45-L73 HydrophobicContact CD1-CG 4.32Å; I45-L73 HydrophobicContact CG1-CD1 4.28Å; L71-L73 HydrophobicContact CB-CD1 4.44Å; L71-L73 HydrophobicContact CD2-CD1 3.84Å; L71-L73 HydrophobicContact CG-CD1 3.66Å; L73-V120 HydrophobicContact CD1-CG1 4.26Å; L73-V120 HydrophobicContact CG-CG2 4.29Å; L73-L155 HydrophobicContact CD1-CD2 4.48Å; L73-L155 HydrophobicContact CD2-CD2 4.26Å; L73-L155 HydrophobicContact CG-CD2 4.44Å
74R93.8Very high79.4Confident75 Ų7579.5 Ų79.528%0.28339%0.388SS..EExtended strand (participates in β ladder)trans-130.1131.1169.1-176.9179.9-79.4150.7-9.8109.5P37 E40 D119P37-R74 CarbonylContact O-C 3.56Å; P37-R74 WeakPolarHBondContact O-CA 3.23Å; E40-R74 VanDerWaalsContact O-CZ 3.32Å; E40-R74 PolarHBondContact O-NE 2.97Å; E40-R74 VanDerWaalsContact O-NE 3.16Å; E40-R74 PolarHBondContact O-NH2 2.96Å; R74-D119 PolarHBondContact N-O 2.6Å; R74-D119 PolarHBondContact O-N 2.97Å
75R88.9Confident77.1Confident58 Ų5879.1 Ų79.122%0.21940%0.403CS..EExtended strand (participates in β ladder)trans-113133.2176-70-174.9176.9164.2-3.8109.4P37 E38 L116 D117 E118P37-R75 HydrophobicContact CB-CB 4.16Å; P37-R75 HydrophobicContact CB-CG 3.75Å; P37-R75 PolarHBondContact O-N 3Å; E38-R75 WeakPolarHBondContact CA-O 3.44Å; E38-R75 HydrophobicContact CG-CB 3.71Å; R75-L116 HydrophobicContact CB-CD2 4.44Å; R75-D117 WeakPolarHBondContact CA-O 3.43Å; R75-E118 HydrophobicContact CG-CG 4.09Å; R75-E118 IonicContact CZ-OE1 2.83Å; R75-E118 IonicContact NE-OE1 3.58Å; R75-E118 PolarHBondContact NE-OE1 2.91Å; R75-E118 IonicContact NH2-OE1 3.86Å; R75-E118 PolarHBondContact NH2-OE1 3.47Å
76T84.5Confident74.5Confident71 Ų7182.4 Ų82.444%0.43642%0.423SS..EExtended strand (participates in β ladder)trans-126.3132174.451.50000110.2D117T76-D117 PolarHBondContact N-O 3.36Å; T76-D117 PolarHBondContact O-N 3.01Å
77R78.5Confident71.9Confident147 Ų14782.9 Ų82.956%0.55543%0.428SS*.EExtended strand (participates in β ladder)trans-80.6121.8177.1-60.3179.7-173.8-174.7-0.4109.4E38 F114 L116E38-R77 IonicContact OE2-CZ 3.74Å; E38-R77 IonicContact OE2-NE 3.79Å; E38-R77 PolarHBondContact OE2-NE 2.66Å; E38-R77 IonicContact OE2-NH2 3.37Å; E38-R77 PolarHBondContact OE2-NH2 2.94Å; R77-F114 HydrophobicContact CB-CB 4.19Å; R77-F114 HydrophobicContact CB-CD1 4.03Å; R77-F114 HydrophobicContact CB-CG 4.29Å; R77-L116 HydrophobicContact CG-CD2 3.89Å
78R69.6Low69.1Low162 Ų16289.8 Ų89.861%0.61147%0.471SS*.EExtended strand (participates in β ladder)trans-108135.4167.3-78.1-163.2-170-151.1-1.6110.3K80 F114 E115 D117R78-K80 PolarHBondContact O-N 2.96Å; R78-F114 CarbonylContact O-C 3.52Å; R78-F114 WeakPolarHBondContact O-CA 3.07Å; R78-E115 PolarHBondContact N-O 3.47Å; R78-E115 PolarHBondContact O-N 2.84Å; R78-D117 WeakPolarHBondContact CD-OD2 3.48Å; R78-D117 WeakPolarHBondContact CG-OD2 3.37Å; R78-D117 IonicContact CZ-OD2 2.71Å; R78-D117 IonicContact NE-OD2 3.69Å; R78-D117 PolarHBondContact NE-OD2 2.77Å; R78-D117 IonicContact NH2-OD2 2.73Å
79L62Low66.2Low123 Ų12390.8 Ų90.864%0.64450%0.496SS*.EExtended strand (participates in β ladder)trans-63132.3171.5-77.1157.5000110E81 K113 F114L79-E81 PolarHBondContact O-N 3.02Å; L79-K113 CarbonylContact C-O 3.25Å; L79-K113 WeakPolarHBondContact CA-O 3.41Å; L79-K113 HydrophobicContact CD2-CB 4.44Å; L79-F114 HydrophobicContact CD2-CD1 3.84Å; L79-F114 HydrophobicContact CD2-CE1 3.29Å; L79-F114 HydrophobicContact CD2-CE2 4.47Å; L79-F114 HydrophobicContact CD2-CZ 3.65Å; L79-F114 HydrophobicContact CG-CD1 3.93Å; L79-F114 HydrophobicContact CG-CE1 3.53Å; L79-F114 HydrophobicContact CG-CZ 4.36Å
80K58.1Low63.1Low149 Ų14998.1 Ų98.165%0.64854%0.536SS*.PPolyproline II helixtrans-67.9120.8174.5-159.6173.1-174.2175.50108.3R78 E82 K113R78-K80 PolarHBondContact O-N 2.96Å; K80-E82 PolarHBondContact O-N 3.11Å; K80-K113 PolarHBondContact N-O 3.38Å
81E49.5Very low60Low188 Ų188102.8 Ų102.888%0.87957%0.566SS**PPolyproline II helixtrans-64.1122.8174.9-69.2-174.9168.200108.9L79 D83L79-E81 PolarHBondContact O-N 3.02Å; E81-D83 PolarHBondContact O-N 2.96Å
82E44.2Very low57Low173 Ų173108.8 Ų108.881%0.80861%0.605SS**  trans-70115.5173.7-74.9-175.3178.700108.9K80 P84K80-E82 PolarHBondContact O-N 3.11Å; E82-P84 VanDerWaalsContact O-CD 3.31Å; E82-P84 WeakPolarHBondContact O-CD 3.49Å
83D37.3Very low54.2Low126 Ų126119.9 Ų119.967%0.67465%0.647SS**  trans-66.5116177-142-15.3000108.7E81 A85E81-D83 PolarHBondContact O-N 2.96Å; D83-A85 PolarHBondContact O-N 3.26Å
84P44.3Very low51.7Low132 Ų132128.5 Ų128.586%0.85768%0.684SS**THydrogen-bonded Turntrans-70.17.8-171.625.4-32.3000114.4E82E82-P84 VanDerWaalsContact O-CD 3.31Å; E82-P84 WeakPolarHBondContact O-CD 3.49Å
85A45.2Very low49Very low86 Ų86133.6 Ų133.671%0.71171%0.708SS**THydrogen-bonded Turntrans-100.9-9.4-17500000115.2D83 G87D83-A85 PolarHBondContact O-N 3.26Å; A85-G87 PolarHBondContact O-N 3.45Å
86T39.3Very low46.5Very low129 Ų129133.1 Ų133.179%0.79171%0.713SS**  trans-101.871.1174.145.90000111.2
87G39.8Very low44.2Very low61 Ų61132.3 Ų132.363%0.62971%0.707SS**  trans-71139163.500000111.2A85A85-G87 PolarHBondContact O-N 3.45Å
88T37.8Very low42.2Very low152 Ų152131.7 Ų131.793%0.93371%0.705SS**SBendtrans84.2104.7164.268.40000118.1
89G33.8Very low40.6Very low70 Ų70128.6 Ų128.672%0.72270%0.7SS**  trans11289155.500000113.9P91G89-P91 WeakPolarHBondContact O-CD 3.27Å
90D32.7Very low39.2Very low155 Ų155123.7 Ų123.783%0.82968%0.678SS**PPolyproline II helixtrans-54121.2156.4-94.4-20000107.7
91P31.9Very low38Very low98 Ų98121.7 Ų121.764%0.63667%0.673SS**PPolyproline II helixtrans-62147.2170.225.3-29.9000109G89 R93G89-P91 WeakPolarHBondContact O-CD 3.27Å; P91-R93 PolarHBondContact O-N 2.91Å; P91-R93 VanDerWaalsContact O-N 3.13Å
92P33.2Very low37.4Very low125 Ų125115.4 Ų115.481%0.81266%0.659SS**PPolyproline II helixtrans-59.6122.2-178.722.7-31.1000110K94P92-K94 PolarHBondContact O-N 3.46Å; P92-K94 VanDerWaalsContact O-N 3.14Å
93R40.7Very low37Very low234 Ų234109.9 Ų109.988%0.88364%0.636SS**  trans-45.9118.2176.1-66.7-178.7179.3179.8-1109.9P91 K95P91-R93 PolarHBondContact O-N 2.91Å; P91-R93 VanDerWaalsContact O-N 3.13Å; R93-K95 PolarHBondContact O-N 3.43Å
94K40.9Very low36.8Very low184 Ų184112.5 Ų112.580%0.865%0.645SS**PPolyproline II helixtrans-59.6126.5170.9-81.4-176.9177.1-178.60107.5P92P92-K94 PolarHBondContact O-N 3.46Å; P92-K94 VanDerWaalsContact O-N 3.14Å
95K36.2Very low36.5Very low183 Ų183107.6 Ų107.680%0.79662%0.618SS**PPolyproline II helixtrans-67.4134.4173.8-74.1-180177.1179.20108.4R93 T97R93-K95 PolarHBondContact O-N 3.43Å; K95-T97 PolarHBondContact O-N 3.11Å
96P37.6Very low36.2Very low48 Ų48103.6 Ų103.631%0.31259%0.585SS.*PPolyproline II helixtrans-60.4134.4-178.824.3-32.8000110G106 F107P96-G106 VanDerWaalsContact CB-O 3.3Å; P96-G106 WeakPolarHBondContact CB-O 3.07Å; P96-F107 HydrophobicContact CB-CD1 4.16Å; P96-F107 HydrophobicContact CB-CD2 4.25Å; P96-F107 HydrophobicContact CB-CE1 4.39Å; P96-F107 HydrophobicContact CB-CE2 4.48Å; P96-F107 HydrophobicContact CB-CG 4.09Å; P96-F107 HydrophobicContact CG-CD1 3.81Å; P96-F107 HydrophobicContact CG-CE1 3.69Å; P96-F107 HydrophobicContact CG-CE2 4.43Å; P96-F107 HydrophobicContact CG-CG 4.24Å; P96-F107 HydrophobicContact CG-CZ 4.03Å
97T35.6Very low36Very low53 Ų53101.8 Ų101.833%0.32557%0.567SS.*  trans-104-7.2-176.554.60000115.2K95 G105 K288 E295K95-T97 PolarHBondContact O-N 3.11Å; T97-G105 CarbonylContact C-O 3.54Å; T97-G105 VanDerWaalsContact C-O 3.25Å; T97-G105 WeakPolarHBondContact CA-O 3.44Å; T97-G105 PolarHBondContact N-O 3.4Å; T97-G105 VanDerWaalsContact OG1-CA 3.24Å; T97-G105 WeakPolarHBondContact OG1-CA 3.4Å; T97-G105 PolarHBondContact OG1-O 3.34Å; T97-K288 HydrophobicContact CG2-CD 4.23Å; T97-E295 VanDerWaalsContact CA-OE1 3.26Å; T97-E295 WeakPolarHBondContact CA-OE1 3.08Å
98R36.9Very low35.7Very low135 Ų135104.3 Ų104.351%0.50957%0.566SS.*SBendtrans-140.6147.5-177.4-65.7-178174.1176.1-3.5110.9A100 G105 G106R98-A100 PolarHBondContact O-N 2.91Å; R98-G105 WeakPolarHBondContact CB-O 3.32Å; R98-G105 PolarHBondContact N-O 2.63Å; R98-G106 WeakPolarHBondContact O-CA 3.26Å
99L35.1Very low35.7Very low96 Ų96101.9 Ų101.950%0.50355%0.546SS..SBendtrans-80.553.8174.2-98.3165.9000112.3F107 T294 I298L99-F107 HydrophobicContact CD2-CE2 4.26Å; L99-T294 HydrophobicContact CB-CG2 4.05Å; L99-T294 HydrophobicContact CD1-CG2 3.51Å; L99-T294 HydrophobicContact CG-CG2 4.05Å; L99-I298 HydrophobicContact CD1-CD1 3.38Å; L99-I298 HydrophobicContact CD1-CG1 3.21Å; L99-I298 HydrophobicContact CD2-CD1 3.59Å; L99-I298 HydrophobicContact CD2-CG1 3.78Å; L99-I298 HydrophobicContact CG-CD1 3.2Å; L99-I298 HydrophobicContact CG-CG1 3.6Å
100A33.4Very low35.7Very low21 Ų21103.1 Ų103.117%0.17454%0.544CS..  trans-144.8139178.200000109.5R98 V103 G106 F107R98-A100 PolarHBondContact O-N 2.91Å; A100-V103 HydrophobicContact CB-CG2 3.23Å; A100-G106 CarbonylContact O-C 3.51Å; A100-G106 WeakPolarHBondContact O-CA 3.41Å; A100-F107 PolarHBondContact O-N 2.78Å
101I32.8Very low35.9Very low106 Ų106103.3 Ų103.354%0.54454%0.54SS..BIsolated β-bridgetrans-90.7123.8-179.4-64.3174.6000107.3F107 L109I101-F107 WeakPolarHBondContact CA-O 3.38Å; I101-F107 HydrophobicContact CG1-CB 4.27Å; I101-L109 HydrophobicContact CG2-CD1 3.88Å; I101-L109 HydrophobicContact CG2-CD2 3.49Å; I101-L109 VanDerWaalsContact CG2-CD2 3.49Å; I101-L109 HydrophobicContact CG2-CG 3.39Å
102G35.9Very low36.4Very low57 Ų57105.4 Ų105.459%0.58854%0.541SS*.SBendtrans83.823.8174.100000117F107G102-F107 PolarHBondContact N-O 3.21Å
103V36Very low37.1Very low56 Ų56106 Ų10634%0.33953%0.531SS..SBendtrans-122154.5175-120.50000110.2A100 G105 G106A100-V103 HydrophobicContact CB-CG2 3.23Å; V103-G105 PolarHBondContact O-N 2.98Å; V103-G106 PolarHBondContact O-N 3.41Å
104E33.7Very low37.6Very low182 Ų18299 Ų9985%0.8551%0.507SS*.THydrogen-bonded Turntrans-57.1115178.9-162.9172.3-168.700110.6
105G38.8Very low38.8Very low29 Ų2996.2 Ų96.230%0.29950%0.497SS..THydrogen-bonded Turntrans86.56.8-174.200000116T97 R98 V103T97-G105 CarbonylContact C-O 3.54Å; T97-G105 VanDerWaalsContact C-O 3.25Å; T97-G105 WeakPolarHBondContact CA-O 3.44Å; T97-G105 PolarHBondContact N-O 3.4Å; T97-G105 VanDerWaalsContact OG1-CA 3.24Å; T97-G105 WeakPolarHBondContact OG1-CA 3.4Å; T97-G105 PolarHBondContact OG1-O 3.34Å; R98-G105 WeakPolarHBondContact CB-O 3.32Å; R98-G105 PolarHBondContact N-O 2.63Å; V103-G105 PolarHBondContact O-N 2.98Å
106G37.3Very low40.4Very low2 Ų290.7 Ų90.72%0.02148%0.476CS..SBendtrans-87.1-169.1175.700000115P96 R98 A100 V103 D108P96-G106 VanDerWaalsContact CB-O 3.3Å; P96-G106 WeakPolarHBondContact CB-O 3.07Å; R98-G106 WeakPolarHBondContact O-CA 3.26Å; A100-G106 CarbonylContact O-C 3.51Å; A100-G106 WeakPolarHBondContact O-CA 3.41Å; V103-G106 PolarHBondContact O-N 3.41Å; G106-D108 PolarHBondContact O-N 2.67Å
107F35.8Very low42.5Very low91 Ų9191 Ų9140%0.39948%0.475SS..BIsolated β-bridgetrans-68.8114164-74-93.5000108.2P96 L99 A100 I101 G102 L109P96-F107 HydrophobicContact CB-CD1 4.16Å; P96-F107 HydrophobicContact CB-CD2 4.25Å; P96-F107 HydrophobicContact CB-CE1 4.39Å; P96-F107 HydrophobicContact CB-CE2 4.48Å; P96-F107 HydrophobicContact CB-CG 4.09Å; P96-F107 HydrophobicContact CG-CD1 3.81Å; P96-F107 HydrophobicContact CG-CE1 3.69Å; P96-F107 HydrophobicContact CG-CE2 4.43Å; P96-F107 HydrophobicContact CG-CG 4.24Å; P96-F107 HydrophobicContact CG-CZ 4.03Å; L99-F107 HydrophobicContact CD2-CE2 4.26Å; A100-F107 PolarHBondContact O-N 2.78Å; I101-F107 WeakPolarHBondContact CA-O 3.38Å; I101-F107 HydrophobicContact CG1-CB 4.27Å; G102-F107 PolarHBondContact N-O 3.21Å; F107-L109 PolarHBondContact O-N 3.03Å; F107-L109 VanDerWaalsContact O-N 3.15Å
108D34.2Very low44.8Very low113 Ų11393.5 Ų93.560%0.60448%0.483SS*.  trans-61.5117.6173-68.2-36.6000108.4G106 S110G106-D108 PolarHBondContact O-N 2.67Å; D108-S110 PolarHBondContact O-N 3.22Å; D108-S110 VanDerWaalsContact O-N 3.15Å
109L36.8Very low47.4Very low101 Ų10191 Ų9153%0.52948%0.48SS..  trans-55.3121.7151.9-72.9166.3000104.2I101 F107 E111I101-L109 HydrophobicContact CG2-CD1 3.88Å; I101-L109 HydrophobicContact CG2-CD2 3.49Å; I101-L109 VanDerWaalsContact CG2-CD2 3.49Å; I101-L109 HydrophobicContact CG2-CG 3.39Å; F107-L109 PolarHBondContact O-N 3.03Å; F107-L109 VanDerWaalsContact O-N 3.15Å; L109-E111 PolarHBondContact O-N 3.48Å
110S34.8Very low50.2Low96 Ų9687.4 Ų87.467%0.67146%0.461SS*.SBendtrans-20.3112175.652.30000110.6D108 E112D108-S110 PolarHBondContact O-N 3.22Å; D108-S110 VanDerWaalsContact O-N 3.15Å; S110-E112 PolarHBondContact O-N 3.06Å; S110-E112 VanDerWaalsContact O-N 3.08Å
111E37.1Very low53.1Low160 Ų16087.8 Ų87.875%0.74846%0.459SS*.  trans-26.1116.4-178.9-68.7178.5164.500109.6L109 K113L109-E111 PolarHBondContact O-N 3.48Å; E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.32Å
112E42Very low56.1Low141 Ų14182.8 Ų82.866%0.65943%0.434SS*.  trans-55.598.4-172.2-73.3-175.3162.100108.9S110 F114S110-E112 PolarHBondContact O-N 3.06Å; S110-E112 VanDerWaalsContact O-N 3.08Å; E112-F114 PolarHBondContact O-N 3.08Å
113K46.6Very low59Low139 Ų13980 Ų8060%0.60441%0.406SS*.  trans-66.310.2172.7-68.5-169.4173.2-160.40111.6L79 K80 E111L79-K113 CarbonylContact C-O 3.25Å; L79-K113 WeakPolarHBondContact CA-O 3.41Å; L79-K113 HydrophobicContact CD2-CB 4.44Å; K80-K113 PolarHBondContact N-O 3.38Å; E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.32Å
114F53.2Low61.8Low87 Ų8777.4 Ų77.438%0.38239%0.39SS..EExtended strand (participates in β ladder)trans-128.4129.8-169.7-57.3-87.1000110.6R77 R78 L79 E112R77-F114 HydrophobicContact CB-CB 4.19Å; R77-F114 HydrophobicContact CB-CD1 4.03Å; R77-F114 HydrophobicContact CB-CG 4.29Å; R78-F114 CarbonylContact O-C 3.52Å; R78-F114 WeakPolarHBondContact O-CA 3.07Å; L79-F114 HydrophobicContact CD2-CD1 3.84Å; L79-F114 HydrophobicContact CD2-CE1 3.29Å; L79-F114 HydrophobicContact CD2-CE2 4.47Å; L79-F114 HydrophobicContact CD2-CZ 3.65Å; L79-F114 HydrophobicContact CG-CD1 3.93Å; L79-F114 HydrophobicContact CG-CE1 3.53Å; L79-F114 HydrophobicContact CG-CZ 4.36Å; E112-F114 PolarHBondContact O-N 3.08Å
115E64.8Low64.7Low124 Ų12468.8 Ų68.858%0.57935%0.349SS*.EExtended strand (participates in β ladder)trans-86.5133163.5-168.3167.6-159.900108.3R78R78-E115 PolarHBondContact N-O 3.47Å; R78-E115 PolarHBondContact O-N 2.84Å
116L69.6Low67.3Low68 Ų6870.5 Ų70.536%0.35636%0.355SS..EExtended strand (participates in β ladder)trans-94.7107.4179.9-78.9158000109.2R75 R77R75-L116 HydrophobicContact CB-CD2 4.44Å; R77-L116 HydrophobicContact CG-CD2 3.89Å
117D81.4Confident70Confident55 Ų5575.5 Ų75.529%0.29438%0.381SS..EExtended strand (participates in β ladder)trans-81.8121.4170.4-74.5-32.4000109.2R75 T76 R78R75-D117 WeakPolarHBondContact CA-O 3.43Å; T76-D117 PolarHBondContact N-O 3.36Å; T76-D117 PolarHBondContact O-N 3.01Å; R78-D117 WeakPolarHBondContact CD-OD2 3.48Å; R78-D117 WeakPolarHBondContact CG-OD2 3.37Å; R78-D117 IonicContact CZ-OD2 2.71Å; R78-D117 IonicContact NE-OD2 3.69Å; R78-D117 PolarHBondContact NE-OD2 2.77Å; R78-D117 IonicContact NH2-OD2 2.73Å
118E85.3Confident72.7Confident105 Ų10574.5 Ų74.549%0.49138%0.375SS..EExtended strand (participates in β ladder)trans-101.3119174.4-50.2-162.7140.700111.3R75R75-E118 HydrophobicContact CG-CG 4.09Å; R75-E118 IonicContact CZ-OE1 2.83Å; R75-E118 IonicContact NE-OE1 3.58Å; R75-E118 PolarHBondContact NE-OE1 2.91Å; R75-E118 IonicContact NH2-OE1 3.86Å; R75-E118 PolarHBondContact NH2-OE1 3.47Å
119D90.4Very high75.6Confident83 Ų8370.9 Ų70.944%0.44436%0.356SS..EExtended strand (participates in β ladder)trans-102.2128.1170.1179.739000109.9R74R74-D119 PolarHBondContact N-O 2.6Å; R74-D119 PolarHBondContact O-N 2.97Å
120V93.8Very high78.3Confident19 Ų1971.2 Ų71.212%0.11536%0.355CS..EExtended strand (participates in β ladder)trans-134.1123.8-173.2-175.60000110.9L71 H72 L73 L155L71-V120 HydrophobicContact CD1-CG1 3.47Å; L71-V120 VanDerWaalsContact CD1-CG1 3.47Å; L71-V120 HydrophobicContact CD2-CG1 4.31Å; L71-V120 HydrophobicContact CG-CG1 3.96Å; H72-V120 WeakPolarHBondContact O-CA 3.31Å; L73-V120 HydrophobicContact CD1-CG1 4.26Å; L73-V120 HydrophobicContact CG-CG2 4.29Å; V120-L155 HydrophobicContact CG1-CD1 4.47Å; V120-L155 HydrophobicContact CG1-CD2 4.34Å; V120-L155 HydrophobicContact CG2-CD2 4.08Å
121K94.6Very high81.1Confident29 Ų2967.3 Ų67.313%0.12633%0.326CS..EExtended strand (participates in β ladder)trans-141.3153.7-179.458.7-174.6174173.60112.6H72 V123 E130H72-K121 HydrophobicContact CB-CG 3.87Å; H72-K121 PolarHBondContact N-O 2.75Å; H72-K121 WeakPolarHBondContact ND1-CE 3.01Å; H72-K121 PolarHBondContact O-N 3.29Å; K121-V123 HydrophobicContact CD-CG2 4.47Å; K121-V123 HydrophobicContact CG-CG2 4.1Å; K121-E130 HydrophobicContact CD-CB 4.5Å; K121-E130 HydrophobicContact CD-CG 4.43Å; K121-E130 WeakPolarHBondContact CD-OE2 3.38Å; K121-E130 IonicContact NZ-OE1 3.59Å; K121-E130 PolarHBondContact NZ-OE1 3.14Å; K121-E130 IonicContact NZ-OE2 3.49Å; K121-E130 PolarHBondContact NZ-OE2 3.38Å
122I95.7Very high83.6Confident1 Ų162 Ų621%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-89.6130.8172.8-61.1166000107.8V69 Y70 L71 E130 I131 V147 V151V69-I122 HydrophobicContact CG1-CG2 3.74Å; Y70-I122 WeakPolarHBondContact O-CA 3.41Å; L71-I122 HydrophobicContact CD1-CG1 4.24Å; I122-E130 CarbonylContact O-C 3.37Å; I122-E130 WeakPolarHBondContact O-CA 3.17Å; I122-I131 HydrophobicContact CB-CB 4.25Å; I122-I131 PolarHBondContact N-O 3.12Å; I122-I131 PolarHBondContact O-N 2.87Å; I122-V147 HydrophobicContact CD1-CG1 3.32Å; I122-V151 HydrophobicContact CD1-CG2 4.18Å; I122-V151 HydrophobicContact CG1-CG2 4.31Å
123V96.6Very high85.7Confident0 Ų060.4 Ų60.40%030%0.297CS..EExtended strand (participates in β ladder)trans-122.9132180-175.20000110.1Y44 Y70 H72 K121 L125 Y128 L129 E130Y44-V123 HydrophobicContact CD1-CB 4.41Å; Y44-V123 HydrophobicContact CE1-CB 4.13Å; Y44-V123 HydrophobicContact CE1-CG1 4.1Å; Y44-V123 HydrophobicContact CE1-CG2 4.1Å; Y70-V123 PolarHBondContact N-O 2.88Å; Y70-V123 PolarHBondContact O-N 3.47Å; H72-V123 HydrophobicContact CB-CG2 3.68Å; K121-V123 HydrophobicContact CD-CG2 4.47Å; K121-V123 HydrophobicContact CG-CG2 4.1Å; V123-L125 HydrophobicContact CG1-CD1 4.24Å; V123-Y128 HydrophobicContact CG1-CD1 4.02Å; V123-L129 CarbonylContact C-O 3.55Å; V123-L129 WeakPolarHBondContact CA-O 3.5Å; V123-E130 HydrophobicContact CG2-CG 4.39Å
124I95.8Very high87.5Confident1 Ų160.8 Ų60.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-114.1120178.6-49.7-179.8000110.4A8 L9 R68 V69 Y128 L129 I131A8-I124 HydrophobicContact CB-CD1 4.08Å; A8-I124 HydrophobicContact CB-CG2 4.37Å; L9-I124 HydrophobicContact CB-CD1 3.88Å; L9-I124 HydrophobicContact CD1-CD1 4.12Å; R68-I124 HydrophobicContact CB-CG2 4.05Å; R68-I124 CarbonylContact O-C 3.59Å; R68-I124 WeakPolarHBondContact O-CA 3.32Å; V69-I124 HydrophobicContact CG2-CG1 4.43Å; I124-Y128 WeakPolarHBondContact O-CA 3.45Å; I124-Y128 PolarHBondContact O-N 2.99Å; I124-Y128 VanDerWaalsContact O-N 3.12Å; I124-L129 HydrophobicContact CB-CB 4.29Å; I124-L129 PolarHBondContact N-O 3.45Å; I124-L129 PolarHBondContact O-N 2.75Å; I124-I131 HydrophobicContact CD1-CD1 3.92Å
125L94.4Very high88.9Confident1 Ų158.8 Ų58.81%0.00531%0.31CS..THydrogen-bonded Turntrans-83.5157.3175.7-91.368.9000112.1V58 E59 F62 R68 Y70 V123 Y128V58-L125 HydrophobicContact CG1-CD2 4.28Å; V58-L125 HydrophobicContact CG2-CD1 4.42Å; V58-L125 HydrophobicContact CG2-CD2 4.15Å; E59-L125 HydrophobicContact CG-CD2 4.38Å; F62-L125 HydrophobicContact CB-CD2 3.65Å; F62-L125 HydrophobicContact CD1-CD2 4.33Å; F62-L125 HydrophobicContact CD2-CB 4.11Å; F62-L125 HydrophobicContact CE2-CB 4.49Å; F62-L125 HydrophobicContact CG-CB 4.18Å; F62-L125 HydrophobicContact CG-CD2 3.96Å; R68-L125 PolarHBondContact NE-O 2.77Å; R68-L125 PolarHBondContact O-N 3.27Å; Y70-L125 HydrophobicContact CD2-CD1 3.94Å; Y70-L125 HydrophobicContact CE2-CD1 4.1Å; Y70-L125 HydrophobicContact CE2-CD2 4.29Å; V123-L125 HydrophobicContact CG1-CD1 4.24Å; L125-Y128 HydrophobicContact CD1-CD1 4.21Å; L125-Y128 HydrophobicContact CD1-CE1 4.12Å
126P93.6Very high89.8Confident64 Ų6453.1 Ų53.142%0.41628%0.284SS..THydrogen-bonded Turncis-85.4-13.84.434.1-35.9000114.9F62 Y128F62-P126 HydrophobicContact CE1-CB 4.01Å; F62-P126 HydrophobicContact CZ-CB 4.1Å; F62-P126 HydrophobicContact CZ-CG 4.33Å; P126-Y128 WeakPolarHBondContact O-CD2 3.2Å; P126-Y128 PolarHBondContact O-N 2.98Å
127D92.9Very high90.3Very high107 Ų10752.7 Ų52.757%0.57230%0.295SS*.THydrogen-bonded Turntrans-80.82.3-172.1-63.1-38.2000114.3L129D127-L129 VanDerWaalsContact C-N 3.29Å; D127-L129 HydrophobicContact CB-CG 4.23Å; D127-L129 PolarHBondContact O-N 3.14Å
128Y93.7Very high90.2Very high70 Ų7053.3 Ų53.328%0.27532%0.315SS..THydrogen-bonded Turntrans52.444.8-176.1-67.6-95.8000112.8V58 E59 V123 I124 L125 P126 E130V58-Y128 HydrophobicContact CG1-CE1 4.35Å; E59-Y128 VanDerWaalsContact CG-OH 3.26Å; E59-Y128 WeakPolarHBondContact CG-OH 3.24Å; E59-Y128 PolarHBondContact OE1-OH 2.71Å; V123-Y128 HydrophobicContact CG1-CD1 4.02Å; I124-Y128 WeakPolarHBondContact O-CA 3.45Å; I124-Y128 PolarHBondContact O-N 2.99Å; I124-Y128 VanDerWaalsContact O-N 3.12Å; L125-Y128 HydrophobicContact CD1-CD1 4.21Å; L125-Y128 HydrophobicContact CD1-CE1 4.12Å; P126-Y128 WeakPolarHBondContact O-CD2 3.2Å; P126-Y128 PolarHBondContact O-N 2.98Å; Y128-E130 WeakPolarHBondContact O-CG 3.36Å; Y128-E130 PolarHBondContact O-N 3.45Å
129L94Very high90.2Very high37 Ų3748.8 Ų48.819%0.19429%0.294CS..EExtended strand (participates in β ladder)trans-67.7120.3176.4-69.4168000109.9A8 V123 I124 D127A8-L129 HydrophobicContact CB-CD1 3.96Å; V123-L129 CarbonylContact C-O 3.55Å; V123-L129 WeakPolarHBondContact CA-O 3.5Å; I124-L129 HydrophobicContact CB-CB 4.29Å; I124-L129 PolarHBondContact N-O 3.45Å; I124-L129 PolarHBondContact O-N 2.75Å; D127-L129 VanDerWaalsContact C-N 3.29Å; D127-L129 HydrophobicContact CB-CG 4.23Å; D127-L129 PolarHBondContact O-N 3.14Å
130E94Very high90.2Very high109 Ų10948.4 Ų48.451%0.50930%0.296SS..EExtended strand (participates in β ladder)trans-98.5131.9-177.5-51.7-168.2165.500111.2K121 I122 V123 Y128K121-E130 HydrophobicContact CD-CB 4.5Å; K121-E130 HydrophobicContact CD-CG 4.43Å; K121-E130 WeakPolarHBondContact CD-OE2 3.38Å; K121-E130 IonicContact NZ-OE1 3.59Å; K121-E130 PolarHBondContact NZ-OE1 3.14Å; K121-E130 IonicContact NZ-OE2 3.49Å; K121-E130 PolarHBondContact NZ-OE2 3.38Å; I122-E130 CarbonylContact O-C 3.37Å; I122-E130 WeakPolarHBondContact O-CA 3.17Å; V123-E130 HydrophobicContact CG2-CG 4.39Å; Y128-E130 WeakPolarHBondContact O-CG 3.36Å; Y128-E130 PolarHBondContact O-N 3.45Å
131I92.8Very high90Very high14 Ų1452.2 Ų52.27%0.07232%0.316CS..EExtended strand (participates in β ladder)trans-127118.9176.4-53.9174.4000107.6L9 I122 I124 L136L9-I131 HydrophobicContact CB-CD1 4.1Å; L9-I131 HydrophobicContact CD2-CD1 3.94Å; L9-I131 HydrophobicContact CG-CD1 4.44Å; I122-I131 HydrophobicContact CB-CB 4.25Å; I122-I131 PolarHBondContact N-O 3.12Å; I122-I131 PolarHBondContact O-N 2.87Å; I124-I131 HydrophobicContact CD1-CD1 3.92Å; I131-L136 HydrophobicContact CG2-CD2 4.07Å
132A90.9Very high89.7Confident47 Ų4757.2 Ų57.239%0.38834%0.342SS..EExtended strand (participates in β ladder)trans-68.9158.4175.100000111.2D134 G135A132-D134 VanDerWaalsContact CB-OD1 3.26Å; A132-D134 WeakPolarHBondContact CB-OD1 3.21Å; A132-D134 PolarHBondContact O-N 2.76Å; A132-G135 PolarHBondContact O-N 2.85Å
133R85.9Confident89.3Confident109 Ų10957.4 Ų57.441%0.41134%0.344SS..THydrogen-bonded Turntrans-59.1-35.3-179-66.9-179.365.6-178.20.7112.9V151R133-V151 HydrophobicContact CG-CG1 4.4Å
134D84.3Confident89Confident146 Ų14661.1 Ų61.178%0.78136%0.358SS*.THydrogen-bonded Turntrans-89.8-8176.559-24.2000113.3A132 L136A132-D134 VanDerWaalsContact CB-OD1 3.26Å; A132-D134 WeakPolarHBondContact CB-OD1 3.21Å; A132-D134 PolarHBondContact O-N 2.76Å; D134-L136 PolarHBondContact O-N 2.71Å; D134-L136 VanDerWaalsContact O-N 3.1Å
135G82.4Confident88.7Confident46 Ų4665.4 Ų65.447%0.47438%0.381SS..  trans-7717-179.600000115.7A132A132-G135 PolarHBondContact O-N 2.85Å
136L84.4Confident88.5Confident5 Ų569.7 Ų69.73%0.02640%0.397CS..  trans-95.414.8-178-61.6168.5000113.3L9 I131 D134 L139 R144 V147 T148L9-L136 HydrophobicContact CD2-CD2 3.73Å; I131-L136 HydrophobicContact CG2-CD2 4.07Å; D134-L136 PolarHBondContact O-N 2.71Å; D134-L136 VanDerWaalsContact O-N 3.1Å; L136-L139 HydrophobicContact CD2-CD1 3.82Å; L136-R144 HydrophobicContact CB-CG 3.92Å; L136-R144 HydrophobicContact CD1-CG 4.22Å; L136-R144 PolarHBondContact O-NE 2.89Å; L136-V147 HydrophobicContact CD1-CB 4.11Å; L136-V147 HydrophobicContact CD1-CG1 3.81Å; L136-V147 HydrophobicContact CD2-CG1 4.26Å; L136-T148 HydrophobicContact CD1-CG2 3.87Å
137G79.6Confident88.4Confident58 Ų5866.7 Ų66.760%0.59838%0.377SS*.THydrogen-bonded Turntrans-67128.4175.400000111.1
138G79.6Confident88.3Confident69 Ų6963.6 Ų63.671%0.71136%0.362SS*.THydrogen-bonded Turntrans104.8-19.1-179.300000115
139L85.8Confident88.2Confident10 Ų1063 Ų635%0.05237%0.369CS..SBendtrans-81.4153.3175.2-64.8172.8000112.2E6 L9 L10 L136 V143 R144E6-L139 HydrophobicContact CB-CD2 3.83Å; E6-L139 HydrophobicContact CG-CD2 3.87Å; E6-L139 HydrophobicContact CG-CG 4.42Å; L9-L139 HydrophobicContact CD2-CD1 3.7Å; L10-L139 HydrophobicContact CD1-CD2 4.26Å; L10-L139 HydrophobicContact CD2-CD2 4.36Å; L10-L139 HydrophobicContact CG-CD2 4.19Å; L136-L139 HydrophobicContact CD2-CD1 3.82Å; L139-V143 HydrophobicContact CD1-CG1 4.49Å; L139-R144 PolarHBondContact O-NH2 2.85Å
140P89.8Confident88.2Confident74 Ų7461.2 Ų61.248%0.48136%0.359SS..  trans-56.7142.3175.9-22.232.2000112.3I142 V143 R144P140-I142 VanDerWaalsContact C-N 3.27Å; P140-I142 HydrophobicContact CB-CG2 4.21Å; P140-I142 PolarHBondContact O-N 3.14Å; P140-V143 HydrophobicContact CB-CG2 4.14Å; P140-V143 HydrophobicContact CG-CG2 4.27Å; P140-V143 WeakPolarHBondContact O-CA 3.47Å; P140-V143 WeakPolarHBondContact O-CB 3.3Å; P140-V143 PolarHBondContact O-N 2.91Å; P140-R144 PolarHBondContact O-N 2.91Å; P140-R144 VanDerWaalsContact O-N 3.13Å
141D88.5Confident88.2Confident99 Ų9956.2 Ų56.253%0.52934%0.336SS..Hα-helixtrans-56.3-39.5-173.3-63.1-30000112.8V143 R144 D145D141-V143 PolarHBondContact O-N 2.89Å; D141-R144 WeakPolarHBondContact O-CB 3.12Å; D141-R144 PolarHBondContact O-N 3.42Å; D141-R144 VanDerWaalsContact O-N 3.13Å; D141-R144 IonicContact OD1-CZ 2.73Å; D141-R144 IonicContact OD1-NH1 3.15Å; D141-R144 PolarHBondContact OD1-NH1 3.2Å; D141-R144 IonicContact OD1-NH2 3.89Å; D141-R144 PolarHBondContact OD1-NH2 3.37Å; D141-D145 WeakPolarHBondContact O-CB 3.44Å; D141-D145 VanDerWaalsContact O-CG 3.25Å; D141-D145 PolarHBondContact O-N 3.31Å
142I88.4Confident88.1Confident134 Ų13461 Ų6169%0.68736%0.358SS*.Hα-helixtrans-57.9-33.6175.7-169.970000113.4P140 R146P140-I142 VanDerWaalsContact C-N 3.27Å; P140-I142 HydrophobicContact CB-CG2 4.21Å; P140-I142 PolarHBondContact O-N 3.14Å; I142-R146 WeakPolarHBondContact O-CB 3.39Å; I142-R146 PolarHBondContact O-N 3.08Å
143V88.6Confident88.2Confident6 Ų659.7 Ų59.74%0.03635%0.347CS..Hα-helixtrans-76.2-45.7178.3-179.40000109.2L10 L13 L139 P140 D141 R146 V147L10-V143 HydrophobicContact CD2-CG1 4.11Å; L10-V143 HydrophobicContact CD2-CG2 3.81Å; L13-V143 HydrophobicContact CD1-CG1 3.77Å; L13-V143 HydrophobicContact CD2-CB 4.13Å; L13-V143 HydrophobicContact CD2-CG1 3.83Å; L13-V143 HydrophobicContact CD2-CG2 3.62Å; L13-V143 HydrophobicContact CG-CG1 4.4Å; L139-V143 HydrophobicContact CD1-CG1 4.49Å; P140-V143 HydrophobicContact CB-CG2 4.14Å; P140-V143 HydrophobicContact CG-CG2 4.27Å; P140-V143 WeakPolarHBondContact O-CA 3.47Å; P140-V143 WeakPolarHBondContact O-CB 3.3Å; P140-V143 PolarHBondContact O-N 2.91Å; D141-V143 PolarHBondContact O-N 2.89Å; V143-R146 PolarHBondContact O-N 3.47Å; V143-V147 HydrophobicContact CG1-CG2 4.42Å; V143-V147 VanDerWaalsContact O-CG2 3.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.42Å; V143-V147 PolarHBondContact O-N 3.01Å
144R88.9Confident88.4Confident78 Ų7854.5 Ų54.529%0.29433%0.328SS..Hα-helixtrans-56.9-53.2178.3-164.5-176.6-48.7120.212.8110.6L136 L139 P140 D141 R146 V147 T148L136-R144 HydrophobicContact CB-CG 3.92Å; L136-R144 HydrophobicContact CD1-CG 4.22Å; L136-R144 PolarHBondContact O-NE 2.89Å; L139-R144 PolarHBondContact O-NH2 2.85Å; P140-R144 PolarHBondContact O-N 2.91Å; P140-R144 VanDerWaalsContact O-N 3.13Å; D141-R144 WeakPolarHBondContact O-CB 3.12Å; D141-R144 PolarHBondContact O-N 3.42Å; D141-R144 VanDerWaalsContact O-N 3.13Å; D141-R144 IonicContact OD1-CZ 2.73Å; D141-R144 IonicContact OD1-NH1 3.15Å; D141-R144 PolarHBondContact OD1-NH1 3.2Å; D141-R144 IonicContact OD1-NH2 3.89Å; D141-R144 PolarHBondContact OD1-NH2 3.37Å; R144-R146 VanDerWaalsContact C-N 3.28Å; R144-R146 PolarHBondContact O-N 3.34Å; R144-V147 PolarHBondContact O-N 3.1Å; R144-T148 HydrophobicContact CG-CG2 4.5Å; R144-T148 WeakPolarHBondContact O-CG2 3.49Å; R144-T148 PolarHBondContact O-N 2.77Å; R144-T148 PolarHBondContact O-OG1 2.94Å
145D89.3Confident88.7Confident91 Ų9149.5 Ų49.549%0.48730%0.301SS..Hα-helixtrans-59.9-39.5-179.1-66.5-13.6000111.7D141 T148 S149D141-D145 WeakPolarHBondContact O-CB 3.44Å; D141-D145 VanDerWaalsContact O-CG 3.25Å; D141-D145 PolarHBondContact O-N 3.31Å; D145-T148 WeakPolarHBondContact CA-OG1 3.08Å; D145-T148 PolarHBondContact O-OG1 2.78Å; D145-S149 WeakPolarHBondContact O-CB 3.45Å; D145-S149 PolarHBondContact O-N 3.23Å; D145-S149 PolarHBondContact O-OG 3.19Å
146R90.4Very high88.8Confident90 Ų9051.8 Ų51.834%0.3431%0.31SS..Hα-helixtrans-67.8-42.9179-169.8175.3-176.5-148.7-7.2112L13 P14 I16 I142 V143 R144 A150L13-R146 PolarHBondContact O-NH1 3.39Å; P14-R146 PolarHBondContact O-NH2 2.88Å; I16-R146 PolarHBondContact O-NH2 2.85Å; I142-R146 WeakPolarHBondContact O-CB 3.39Å; I142-R146 PolarHBondContact O-N 3.08Å; V143-R146 PolarHBondContact O-N 3.47Å; R144-R146 VanDerWaalsContact C-N 3.28Å; R144-R146 PolarHBondContact O-N 3.34Å; R146-A150 WeakPolarHBondContact O-CB 3.41Å; R146-A150 PolarHBondContact O-N 3.03Å; R146-A150 VanDerWaalsContact O-N 3.1Å
147V91.6Very high88.8Confident1 Ų152.3 Ų52.31%0.00632%0.315CS..Hα-helixtrans-69.6-47.8-179.8173.90000110.6L13 I16 I122 L136 V143 R144 S149 A150 V151L13-V147 HydrophobicContact CD1-CG2 3.95Å; I16-V147 HydrophobicContact CD1-CG2 4Å; I122-V147 HydrophobicContact CD1-CG1 3.32Å; L136-V147 HydrophobicContact CD1-CB 4.11Å; L136-V147 HydrophobicContact CD1-CG1 3.81Å; L136-V147 HydrophobicContact CD2-CG1 4.26Å; V143-V147 HydrophobicContact CG1-CG2 4.42Å; V143-V147 VanDerWaalsContact O-CG2 3.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.42Å; V143-V147 PolarHBondContact O-N 3.01Å; R144-V147 PolarHBondContact O-N 3.1Å; V147-S149 PolarHBondContact O-N 3.38Å; V147-A150 PolarHBondContact O-N 3.13Å; V147-V151 WeakPolarHBondContact O-CG2 3.36Å; V147-V151 PolarHBondContact O-N 2.97Å
148T90.8Very high88.8Confident42 Ų4252.9 Ų52.926%0.25830%0.304SS..Hα-helixtrans-62.9-44178.353.50000111.5L136 R144 D145 A150 V151 E152L136-T148 HydrophobicContact CD1-CG2 3.87Å; R144-T148 HydrophobicContact CG-CG2 4.5Å; R144-T148 WeakPolarHBondContact O-CG2 3.49Å; R144-T148 PolarHBondContact O-N 2.77Å; R144-T148 PolarHBondContact O-OG1 2.94Å; D145-T148 WeakPolarHBondContact CA-OG1 3.08Å; D145-T148 PolarHBondContact O-OG1 2.78Å; T148-A150 VanDerWaalsContact C-N 3.3Å; T148-A150 PolarHBondContact O-N 2.74Å; T148-V151 PolarHBondContact O-N 3.33Å; T148-E152 WeakPolarHBondContact O-CB 3.23Å; T148-E152 WeakPolarHBondContact O-CG 3.13Å; T148-E152 PolarHBondContact O-N 2.89Å
149S92.4Very high88.8Confident58 Ų5849.9 Ų49.941%0.40627%0.272SS..Hα-helixtrans-59.3-40.3175.8-62.10000112.3D145 V147 A153D145-S149 WeakPolarHBondContact O-CB 3.45Å; D145-S149 PolarHBondContact O-N 3.23Å; D145-S149 PolarHBondContact O-OG 3.19Å; V147-S149 PolarHBondContact O-N 3.38Å; S149-A153 WeakPolarHBondContact O-CB 3.43Å; S149-A153 PolarHBondContact O-N 3.06Å
150A93.4Very high88.4Confident0 Ų049.5 Ų49.50%027%0.271CS..Hα-helixtrans-66-44.2177.100000111.8I16 V18 M47 R146 V147 T148 L154I16-A150 HydrophobicContact CG2-CB 3.66Å; V18-A150 HydrophobicContact CG2-CB 4Å; M47-A150 HydrophobicContact CE-CB 3.72Å; R146-A150 WeakPolarHBondContact O-CB 3.41Å; R146-A150 PolarHBondContact O-N 3.03Å; R146-A150 VanDerWaalsContact O-N 3.1Å; V147-A150 PolarHBondContact O-N 3.13Å; T148-A150 VanDerWaalsContact C-N 3.3Å; T148-A150 PolarHBondContact O-N 2.74Å; A150-L154 WeakPolarHBondContact O-CB 3.27Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.41Å; A150-L154 PolarHBondContact O-N 3.41Å
151V93.6Very high87.6Confident4 Ų447 Ų472%0.02426%0.255CS..Hα-helixtrans-64-48.6178.4172.80000111.2M47 L71 I122 R133 V147 T148 A153 L154 L155M47-V151 HydrophobicContact CE-CG2 3.85Å; L71-V151 HydrophobicContact CD1-CG1 4.05Å; L71-V151 HydrophobicContact CD1-CG2 3.88Å; L71-V151 HydrophobicContact CD2-CG1 4.32Å; I122-V151 HydrophobicContact CD1-CG2 4.18Å; I122-V151 HydrophobicContact CG1-CG2 4.31Å; R133-V151 HydrophobicContact CG-CG1 4.4Å; V147-V151 WeakPolarHBondContact O-CG2 3.36Å; V147-V151 PolarHBondContact O-N 2.97Å; T148-V151 PolarHBondContact O-N 3.33Å; V151-A153 VanDerWaalsContact C-N 3.35Å; V151-A153 PolarHBondContact O-N 2.68Å; V151-L154 PolarHBondContact O-N 2.88Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.46Å; V151-L155 WeakPolarHBondContact O-CG 3.32Å; V151-L155 PolarHBondContact O-N 2.98Å
152E92.4Very high86.8Confident113 Ų11349.1 Ų49.153%0.52826%0.255SS..Hα-helixtrans-60-46178.3-73.4175.8-174.300111.3T148 L154 L155 S156T148-E152 WeakPolarHBondContact O-CB 3.23Å; T148-E152 WeakPolarHBondContact O-CG 3.13Å; T148-E152 PolarHBondContact O-N 2.89Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-L154 PolarHBondContact O-N 3.47Å; E152-L155 PolarHBondContact O-N 3.14Å; E152-S156 WeakPolarHBondContact O-CB 3.5Å; E152-S156 PolarHBondContact O-N 3.37Å; E152-S156 PolarHBondContact O-OG 3.27Å; E152-S156 VanDerWaalsContact O-OG 3.07Å
153A91.8Very high85.8Confident20 Ų2044.7 Ų44.717%0.16523%0.231CC..Hα-helixtrans-62.8-37.517700000112.9V18 P19 S149 V151 S156 A157V18-A153 HydrophobicContact CG1-CB 3.8Å; P19-A153 HydrophobicContact CB-CB 4.43Å; P19-A153 HydrophobicContact CG-CB 4.28Å; S149-A153 WeakPolarHBondContact O-CB 3.43Å; S149-A153 PolarHBondContact O-N 3.06Å; V151-A153 VanDerWaalsContact C-N 3.35Å; V151-A153 PolarHBondContact O-N 2.68Å; A153-S156 PolarHBondContact O-OG 3.22Å; A153-A157 WeakPolarHBondContact O-CB 3.46Å; A153-A157 PolarHBondContact O-N 3.05Å
154L91.1Very high84.5Confident1 Ų147.1 Ų47.11%0.00524%0.242CC..Hα-helixtrans-66-40.3175.7-79.4167.6000112.3P19 V25 I45 M47 F50 L71 A150 V151 E152P19-L154 HydrophobicContact CG-CD2 3.49Å; P19-L154 VanDerWaalsContact CG-CD2 3.49Å; P19-L154 HydrophobicContact CG-CG 3.67Å; V25-L154 HydrophobicContact CG1-CD2 3.67Å; V25-L154 HydrophobicContact CG2-CD2 4.3Å; I45-L154 HydrophobicContact CG2-CD2 4.1Å; M47-L154 HydrophobicContact CE-CD1 4.08Å; M47-L154 HydrophobicContact CG-CD1 4.17Å; F50-L154 HydrophobicContact CB-CD2 4.33Å; F50-L154 HydrophobicContact CD1-CD2 3.7Å; F50-L154 HydrophobicContact CE1-CD2 4.35Å; F50-L154 HydrophobicContact CG-CD2 4.22Å; L71-L154 HydrophobicContact CB-CD1 4.23Å; L71-L154 HydrophobicContact CD2-CB 3.82Å; L71-L154 HydrophobicContact CD2-CD1 3.74Å; L71-L154 HydrophobicContact CD2-CG 4.42Å; A150-L154 WeakPolarHBondContact O-CB 3.27Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.41Å; A150-L154 PolarHBondContact O-N 3.41Å; V151-L154 PolarHBondContact O-N 2.88Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-L154 PolarHBondContact O-N 3.47Å
155L89.2Confident83.3Confident41 Ų4147.1 Ų47.122%0.21525%0.245CC..Hα-helixtrans-72.8-40.1179.3-65.4174.2000111.5K27 L71 L73 V120 V151 E152K27-L155 PolarHBondContact NZ-O 3.21Å; L71-L155 HydrophobicContact CD2-CD2 4.48Å; L73-L155 HydrophobicContact CD1-CD2 4.48Å; L73-L155 HydrophobicContact CD2-CD2 4.26Å; L73-L155 HydrophobicContact CG-CD2 4.44Å; V120-L155 HydrophobicContact CG1-CD1 4.47Å; V120-L155 HydrophobicContact CG1-CD2 4.34Å; V120-L155 HydrophobicContact CG2-CD2 4.08Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.46Å; V151-L155 WeakPolarHBondContact O-CG 3.32Å; V151-L155 PolarHBondContact O-N 2.98Å; E152-L155 PolarHBondContact O-N 3.14Å
156S85.5Confident81.8Confident94 Ų9446.7 Ų46.766%0.65725%0.246SC*.Hα-helixtrans-79.7-26.2-179.268.50000114.1E152 A153 D158E152-S156 WeakPolarHBondContact O-CB 3.5Å; E152-S156 PolarHBondContact O-N 3.37Å; E152-S156 PolarHBondContact O-OG 3.27Å; E152-S156 VanDerWaalsContact O-OG 3.07Å; A153-S156 PolarHBondContact O-OG 3.22Å; S156-D158 PolarHBondContact O-N 2.9Å
157A84.1Confident80.1Confident16 Ų1648.8 Ų48.813%0.13226%0.259CS..SBendtrans-61.8136.8-179.200000110.9V25 K27 A153 S159V25-A157 HydrophobicContact CB-CB 4.32Å; V25-A157 HydrophobicContact CG2-CB 3.78Å; K27-A157 WeakPolarHBondContact CE-O 3.14Å; K27-A157 PolarHBondContact NZ-O 3.06Å; A153-A157 WeakPolarHBondContact O-CB 3.46Å; A153-A157 PolarHBondContact O-N 3.05Å; A157-S159 PolarHBondContact O-N 3.26Å
158D79.7Confident78Confident69 Ų6949.6 Ų49.637%0.36927%0.267SS..PPolyproline II helixtrans-58.5135.8168.9-68.8-48.7000109.9S156 R162 K163S156-D158 PolarHBondContact O-N 2.9Å; D158-R162 WeakPolarHBondContact OD1-CD 3.41Å; D158-R162 IonicContact OD1-CZ 3.76Å; D158-R162 IonicContact OD1-NE 3.64Å; D158-R162 IonicContact OD1-NH1 3.07Å; D158-R162 PolarHBondContact OD1-NH1 2.83Å; D158-K163 HydrophobicContact CB-CD 4.36Å; D158-K163 HydrophobicContact CB-CG 3.72Å; D158-K163 WeakPolarHBondContact O-CE 3.45Å
159S80.2Confident75.9Confident6 Ų652 Ų524%0.04227%0.271CS..BIsolated β-bridgetrans-64.7154.6177.461.70000110.9V25 D28 A157 S161 R162 K163V25-S159 CarbonylContact O-C 3.54Å; V25-S159 WeakPolarHBondContact O-CA 3.38Å; D28-S159 VanDerWaalsContact CG-CB 3.45Å; D28-S159 WeakPolarHBondContact OD1-CB 3.25Å; D28-S159 WeakPolarHBondContact OD2-CB 3.05Å; D28-S159 PolarHBondContact OD2-OG 3.28Å; A157-S159 PolarHBondContact O-N 3.26Å; S159-S161 PolarHBondContact O-N 3.24Å; S159-S161 PolarHBondContact OG-OG 3.19Å; S159-R162 PolarHBondContact O-N 3.43Å; S159-R162 VanDerWaalsContact O-N 3.13Å; S159-R162 VanDerWaalsContact OG-CB 3.28Å; S159-R162 WeakPolarHBondContact OG-CB 3.09Å; S159-R162 PolarHBondContact OG-N 3.29Å; S159-K163 PolarHBondContact O-N 2.88Å
160A76.1Confident73.1Confident3 Ų354 Ų543%0.02528%0.277CS..Hα-helixtrans-55.6-40.917700000111.9R24 V25 K163 Q164R24-A160 HydrophobicContact CB-CB 4.18Å; V25-A160 PolarHBondContact O-N 3.38Å; A160-K163 PolarHBondContact O-N 3.13Å; A160-Q164 WeakPolarHBondContact O-CB 3.34Å; A160-Q164 VanDerWaalsContact O-CG 3.27Å; A160-Q164 WeakPolarHBondContact O-CG 3.35Å; A160-Q164 PolarHBondContact O-N 2.82Å
161S73.3Confident70.6Confident20 Ų2057.5 Ų57.514%0.1431%0.313CS..Hα-helixtrans-58.7-50.317316.80000112D28 S159 K163 Q164 E165D28-S161 PolarHBondContact OD2-OG 3.33Å; S159-S161 PolarHBondContact O-N 3.24Å; S159-S161 PolarHBondContact OG-OG 3.19Å; S161-K163 PolarHBondContact O-N 3.32Å; S161-Q164 PolarHBondContact O-N 3.02Å; S161-E165 WeakPolarHBondContact O-CG 3.45Å; S161-E165 PolarHBondContact O-N 3.04Å
162R71.8Confident68.2Low144 Ų14462.2 Ų62.254%0.54334%0.335SS..Hα-helixtrans-64.3-42179.2-171.9179.6-171-16611.5112.1D158 S159 Q164 E165 V166D158-R162 WeakPolarHBondContact OD1-CD 3.41Å; D158-R162 IonicContact OD1-CZ 3.76Å; D158-R162 IonicContact OD1-NE 3.64Å; D158-R162 IonicContact OD1-NH1 3.07Å; D158-R162 PolarHBondContact OD1-NH1 2.83Å; S159-R162 PolarHBondContact O-N 3.43Å; S159-R162 VanDerWaalsContact O-N 3.13Å; S159-R162 VanDerWaalsContact OG-CB 3.28Å; S159-R162 WeakPolarHBondContact OG-CB 3.09Å; S159-R162 PolarHBondContact OG-N 3.29Å; R162-Q164 VanDerWaalsContact C-N 3.32Å; R162-Q164 PolarHBondContact O-N 3.02Å; R162-E165 PolarHBondContact O-N 2.86Å; R162-V166 VanDerWaalsContact O-CG2 3.3Å; R162-V166 WeakPolarHBondContact O-CG2 3.4Å; R162-V166 PolarHBondContact O-N 2.64Å
163K66.6Low66.2Low42 Ų4260.4 Ų60.418%0.18333%0.331CS..Hα-helixtrans-62.6-39.8175.6-70.4-173.1-175.8-177.60111.8A21 D23 D158 S159 A160 S161 V166 Q167A21-K163 PolarHBondContact O-NZ 3.3Å; D23-K163 PolarHBondContact O-NZ 2.79Å; D158-K163 HydrophobicContact CB-CD 4.36Å; D158-K163 HydrophobicContact CB-CG 3.72Å; D158-K163 WeakPolarHBondContact O-CE 3.45Å; S159-K163 PolarHBondContact O-N 2.88Å; A160-K163 PolarHBondContact O-N 3.13Å; S161-K163 PolarHBondContact O-N 3.32Å; K163-V166 PolarHBondContact O-N 3.37Å; K163-Q167 WeakPolarHBondContact O-CB 3.22Å; K163-Q167 VanDerWaalsContact O-CG 3.28Å; K163-Q167 WeakPolarHBondContact O-CG 3.44Å; K163-Q167 PolarHBondContact O-N 3.42Å
164Q62.3Low64.9Low57 Ų5763.6 Ų63.627%0.26634%0.339SS..Hα-helixtrans-67.9-40.1176.4-78.8173.9-22.200112.3A160 S161 R162 Q167 A168A160-Q164 WeakPolarHBondContact O-CB 3.34Å; A160-Q164 VanDerWaalsContact O-CG 3.27Å; A160-Q164 WeakPolarHBondContact O-CG 3.35Å; A160-Q164 PolarHBondContact O-N 2.82Å; S161-Q164 PolarHBondContact O-N 3.02Å; R162-Q164 VanDerWaalsContact C-N 3.32Å; R162-Q164 PolarHBondContact O-N 3.02Å; Q164-Q167 PolarHBondContact O-N 2.95Å; Q164-A168 VanDerWaalsContact O-CB 3.24Å; Q164-A168 WeakPolarHBondContact O-CB 3.49Å; Q164-A168 PolarHBondContact O-N 3.5Å
165E62.8Low64.1Low78 Ų7870.7 Ų70.736%0.36437%0.372SS..Hα-helixtrans-59.3-54.2171.5-75.2173.5179.300109.9S161 R162 Q167 A168 W169 R415S161-E165 WeakPolarHBondContact O-CG 3.45Å; S161-E165 PolarHBondContact O-N 3.04Å; R162-E165 PolarHBondContact O-N 2.86Å; E165-Q167 VanDerWaalsContact C-N 3.28Å; E165-Q167 PolarHBondContact O-N 3.2Å; E165-A168 PolarHBondContact O-N 3.48Å; E165-A168 VanDerWaalsContact O-N 3.11Å; E165-W169 WeakPolarHBondContact O-CB 3.33Å; E165-W169 PolarHBondContact O-N 2.97Å; E165-R415 IonicContact OE1-CZ 2.71Å; E165-R415 IonicContact OE1-NH1 2.64Å; E165-R415 PolarHBondContact OE1-NH1 2.61Å
166V59.2Low63.9Low81 Ų8171.8 Ų71.849%0.49138%0.381SS..Hα-helixtrans-55.6-42.3178.5175.10000112.1R162 K163 W169 D170R162-V166 VanDerWaalsContact O-CG2 3.3Å; R162-V166 WeakPolarHBondContact O-CG2 3.4Å; R162-V166 PolarHBondContact O-N 2.64Å; K163-V166 PolarHBondContact O-N 3.37Å; V166-W169 CarbonylContact O-C 2.9Å; V166-W169 PolarHBondContact O-N 3.05Å; V166-D170 PolarHBondContact O-N 3.41Å
167Q54.1Low64.1Low134 Ų13467.5 Ų67.563%0.62635%0.35SS*.Hα-helixtrans-68.7-38.5177.2-75.6176.7-3.400113.9K163 Q164 E165 W169 D170K163-Q167 WeakPolarHBondContact O-CB 3.22Å; K163-Q167 VanDerWaalsContact O-CG 3.28Å; K163-Q167 WeakPolarHBondContact O-CG 3.44Å; K163-Q167 PolarHBondContact O-N 3.42Å; Q164-Q167 PolarHBondContact O-N 2.95Å; E165-Q167 VanDerWaalsContact C-N 3.28Å; E165-Q167 PolarHBondContact O-N 3.2Å; Q167-W169 PolarHBondContact O-N 3.3Å; Q167-D170 PolarHBondContact O-N 3.25Å
168A48.1Very low64.4Low19 Ų1974.1 Ų74.116%0.15738%0.376CS..Hα-helixtrans-69.5-26.8174.800000111.4Q164 E165 N431Q164-A168 VanDerWaalsContact O-CB 3.24Å; Q164-A168 WeakPolarHBondContact O-CB 3.49Å; Q164-A168 PolarHBondContact O-N 3.5Å; E165-A168 PolarHBondContact O-N 3.48Å; E165-A168 VanDerWaalsContact O-N 3.11Å; A168-N431 WeakPolarHBondContact CB-ND2 3.44Å
169W45.3Very low64.9Low91 Ų9172.9 Ų72.935%0.34537%0.368SS..Hα-helixtrans-82-21.7171.4-79.368.7000113.2E165 V166 Q167 G171 E172 V173 N431E165-W169 WeakPolarHBondContact O-CB 3.33Å; E165-W169 PolarHBondContact O-N 2.97Å; V166-W169 CarbonylContact O-C 2.9Å; V166-W169 PolarHBondContact O-N 3.05Å; Q167-W169 PolarHBondContact O-N 3.3Å; W169-G171 PolarHBondContact O-N 3.35Å; W169-G171 VanDerWaalsContact O-N 3.14Å; W169-E172 CarbonylContact O-C 3.47Å; W169-E172 VanDerWaalsContact O-C 3.32Å; W169-E172 VanDerWaalsContact O-CA 3.3Å; W169-E172 WeakPolarHBondContact O-CA 3.39Å; W169-E172 WeakPolarHBondContact O-CB 3.39Å; W169-E172 PolarHBondContact O-N 2.95Å; W169-V173 PolarHBondContact O-N 3.28Å; W169-N431 VanDerWaalsContact CD1-ND2 3.31Å; W169-N431 PolarHBondContact NE1-ND2 2.75Å
170D35.5Very low65.4Low101 Ų10172.6 Ų72.654%0.5437%0.366SS..THydrogen-bonded Turntrans-64.6-14.5175-94.5-21000112.7V166 Q167V166-D170 PolarHBondContact O-N 3.41Å; Q167-D170 PolarHBondContact O-N 3.25Å
171G40.3Very low66Low73 Ų7379.8 Ų79.875%0.75340%0.397SS*.THydrogen-bonded Turntrans-79.4-14.6165.100000114.8W169W169-G171 PolarHBondContact O-N 3.35Å; W169-G171 VanDerWaalsContact O-N 3.14Å
172E43.3Very low66.8Low103 Ų10382.2 Ų82.248%0.48141%0.414SS..THydrogen-bonded Turntrans-116.2-1.9-179.9-89.2-174.2167.100113.5W169 R174W169-E172 CarbonylContact O-C 3.47Å; W169-E172 VanDerWaalsContact O-C 3.32Å; W169-E172 VanDerWaalsContact O-CA 3.3Å; W169-E172 WeakPolarHBondContact O-CA 3.39Å; W169-E172 WeakPolarHBondContact O-CB 3.39Å; W169-E172 PolarHBondContact O-N 2.95Å; E172-R174 VanDerWaalsContact C-N 3.31Å; E172-R174 PolarHBondContact O-N 2.79Å
173V49.7Very low67.7Low76 Ų7676.4 Ų76.446%0.46139%0.394SS..SBendtrans-66.2100.4168.6178.20000106W169 Q175W169-V173 PolarHBondContact O-N 3.28Å; V173-Q175 PolarHBondContact O-N 3.25Å
174R64Low68.8Low87 Ų8782.7 Ų82.733%0.32842%0.421SS..  trans-35.4111.8168.2-72.3-179.4-173.1-179.8-2.2107.1E172 D257 M266 L268E172-R174 VanDerWaalsContact C-N 3.31Å; E172-R174 PolarHBondContact O-N 2.79Å; R174-D257 IonicContact CZ-OD1 2.65Å; R174-D257 IonicContact NH1-OD1 3.62Å; R174-D257 PolarHBondContact NH1-OD1 2.8Å; R174-D257 IonicContact NH2-OD1 3.31Å; R174-D257 PolarHBondContact NH2-OD1 2.97Å; R174-M266 HydrophobicContact CG-CB 4.29Å; R174-M266 WeakPolarHBondContact CG-O 3.2Å; R174-L268 HydrophobicContact CB-CD1 4.34Å; R174-L268 HydrophobicContact CB-CD2 3.91Å; R174-L268 HydrophobicContact CB-CG 3.6Å; R174-L268 WeakPolarHBondContact O-CD1 3.4Å; R174-L268 WeakPolarHBondContact O-CG 3.18Å
175Q75.5Confident70.2Confident149 Ų14982.1 Ų82.170%0.69642%0.418SS*.PPolyproline II helixtrans-68.8147-177.6-65.7-169.5-0.100107.8V173 S177 V267 L268V173-Q175 PolarHBondContact O-N 3.25Å; Q175-S177 PolarHBondContact O-N 3.43Å; Q175-S177 VanDerWaalsContact O-N 3.16Å; Q175-V267 WeakPolarHBondContact O-CA 3.41Å; Q175-L268 PolarHBondContact O-N 3.22Å
176V84.1Confident71.6Confident65 Ų6582.2 Ų82.239%0.39442%0.421SS..BIsolated β-bridgetrans-60124.1169.8172.80000107.2K178 A180 F181 L268 P270V176-K178 PolarHBondContact O-N 2.85Å; V176-A180 HydrophobicContact CG1-CB 3.95Å; V176-F181 HydrophobicContact CG1-CE2 3.75Å; V176-F181 HydrophobicContact CG1-CZ 4.16Å; V176-L268 WeakPolarHBondContact CA-O 3.46Å; V176-L268 HydrophobicContact CG2-CB 4.16Å; V176-P270 HydrophobicContact CB-CG 4.37Å; V176-P270 HydrophobicContact CG1-CG 3.72Å; V176-P270 HydrophobicContact CG2-CG 3.68Å
177S89.2Confident72.7Confident3 Ų385.1 Ų85.12%0.02143%0.434CS..PPolyproline II helixtrans-56.6140.1-178.5177.50000110.2Q175 H179 A180 E263 L268Q175-S177 PolarHBondContact O-N 3.43Å; Q175-S177 VanDerWaalsContact O-N 3.16Å; S177-H179 PolarHBondContact O-N 2.69Å; S177-H179 PolarHBondContact OG-N 3.33Å; S177-A180 WeakPolarHBondContact O-CB 3.45Å; S177-A180 PolarHBondContact O-N 2.86Å; S177-E263 WeakPolarHBondContact CB-OE2 3.21Å; S177-E263 PolarHBondContact OG-OE2 2.89Å; S177-L268 PolarHBondContact N-O 3.23Å
178K91.3Very high73.6Confident156 Ų15686.4 Ų86.468%0.67845%0.445SS*.THydrogen-bonded Turntrans-53-26.1169.1-65.9165.6-167.1166.60112.2V176 S182 E263V176-K178 PolarHBondContact O-N 2.85Å; K178-S182 PolarHBondContact O-OG 2.96Å; K178-E263 HydrophobicContact CD-CG 4.39Å; K178-E263 WeakPolarHBondContact CG-OE1 3.35Å; K178-E263 PolarHBondContact N-OE1 3.07Å
179H91.3Very high75.1Confident42 Ų4287.7 Ų87.719%0.19445%0.452CS..THydrogen-bonded Turntrans-93.1-10.4-177.5-58.9-70.4000114S177 F181 S182 L183 P243 L244 D262S177-H179 PolarHBondContact O-N 2.69Å; S177-H179 PolarHBondContact OG-N 3.33Å; H179-F181 PolarHBondContact O-N 2.95Å; H179-F181 VanDerWaalsContact O-N 3.12Å; H179-S182 PolarHBondContact O-N 3.17Å; H179-S182 VanDerWaalsContact O-N 3.14Å; H179-L183 WeakPolarHBondContact O-CA 3.47Å; H179-L183 VanDerWaalsContact O-CB 3.3Å; H179-L183 WeakPolarHBondContact O-CB 3.31Å; H179-L183 PolarHBondContact O-N 3.47Å; H179-P243 HydrophobicContact CB-CB 4.37Å; H179-P243 HydrophobicContact CB-CG 3.76Å; H179-L244 HydrophobicContact CB-CD1 4.02Å; H179-L244 HydrophobicContact CB-CG 4.08Å; H179-D262 IonicContact CD2-OD2 3.29Å; H179-D262 IonicContact CE1-OD2 2.78Å; H179-D262 IonicContact NE2-OD2 2.63Å; H179-D262 PolarHBondContact NE2-OD2 3Å
180A89.3Confident76.7Confident0 Ų086.3 Ų86.30%046%0.46CS..THydrogen-bonded Turntrans-59.7-29.2-173.600000113.9V176 S177 D269 H275V176-A180 HydrophobicContact CG1-CB 3.95Å; S177-A180 WeakPolarHBondContact O-CB 3.45Å; S177-A180 PolarHBondContact O-N 2.86Å; A180-D269 HydrophobicContact CB-CB 4.47Å; A180-H275 PolarHBondContact O-CE1 2.97Å; A180-H275 VanDerWaalsContact O-CE1 3.25Å
181F89.4Confident78.7Confident154 Ų15492 Ų9268%0.67547%0.473SS*.THydrogen-bonded Turntrans-103.7-13.8178.3-55.1-65.9000113.8V176 H179 P270V176-F181 HydrophobicContact CG1-CE2 3.75Å; V176-F181 HydrophobicContact CG1-CZ 4.16Å; H179-F181 PolarHBondContact O-N 2.95Å; H179-F181 VanDerWaalsContact O-N 3.12Å; F181-P270 HydrophobicContact CE1-CB 4.29Å; F181-P270 HydrophobicContact CE1-CG 4.46Å; F181-P270 HydrophobicContact CZ-CB 4.24Å; F181-P270 HydrophobicContact CZ-CG 3.98Å
182S88.9Confident80.6Confident72 Ų7289.3 Ų89.350%0.50344%0.442SS..THydrogen-bonded Turntrans-109.45.9-178.9610000113.3K178 H179 K184K178-S182 PolarHBondContact O-OG 2.96Å; H179-S182 PolarHBondContact O-N 3.17Å; H179-S182 VanDerWaalsContact O-N 3.14Å; S182-K184 PolarHBondContact O-N 2.84Å
183L90.8Very high82Confident21 Ų2187.6 Ų87.611%0.1144%0.439CS..  trans-64.1121.5-178.9-164.670.9000110H179 L212 P243 L244H179-L183 WeakPolarHBondContact O-CA 3.47Å; H179-L183 VanDerWaalsContact O-CB 3.3Å; H179-L183 WeakPolarHBondContact O-CB 3.31Å; H179-L183 PolarHBondContact O-N 3.47Å; L183-L212 HydrophobicContact CD2-CB 3.57Å; L183-L212 HydrophobicContact CD2-CD1 4.42Å; L183-P243 HydrophobicContact CD1-CG 4.03Å; L183-L244 HydrophobicContact CD1-CB 4.13Å; L183-L244 HydrophobicContact CD1-CD1 4.09Å; L183-L244 HydrophobicContact CD1-CG 4.12Å; L183-L244 HydrophobicContact CD2-CB 4.47Å; L183-L244 HydrophobicContact CD2-CD1 4.21Å
184K90.5Very high82.6Confident174 Ų17488.4 Ų88.476%0.75745%0.446SS*.  trans-95.1109.8176.9-65.5179.8-176.7174.90108.7S182 T213S182-K184 PolarHBondContact O-N 2.84Å; K184-T213 WeakPolarHBondContact O-CG2 3.28Å
185Q92.4Very high82.9Confident45 Ų4588.2 Ų88.221%0.2146%0.457CS..PPolyproline II helixtrans-85.7134.7172.9-53.3-167.2-82.200110.2L212 T213 H275 H278 F279Q185-L212 WeakPolarHBondContact CG-O 3.22Å; Q185-L212 PolarHBondContact NE2-O 2.89Å; Q185-T213 WeakPolarHBondContact CA-O 3.38Å; Q185-H275 PolarHBondContact NE2-O 3.3Å; Q185-H278 VanDerWaalsContact OE1-CB 3.29Å; Q185-F279 VanDerWaalsContact NE2-CE2 3.3Å
186L91.4Very high82.4Confident81 Ų8184 Ų8442%0.42445%0.454SS..PPolyproline II helixtrans-71.3146.6-179.3-61.2-176.2000111.7T213 D214 Y242 H278L186-T213 HydrophobicContact CG-CG2 4.3Å; L186-T213 PolarHBondContact N-O 3Å; L186-D214 HydrophobicContact CD1-CB 3.7Å; L186-D214 HydrophobicContact CG-CB 4.37Å; L186-Y242 HydrophobicContact CD1-CE2 4.39Å; L186-H278 PolarHBondContact O-CE1 2.88Å; L186-H278 PolarHBondContact O-NE2 2.78Å
187D82.1Confident82.2Confident142 Ų14282 Ų8276%0.75944%0.44SS*.SBendtrans-69.2147.5176.7-65.9-41.4000112
188N74.2Confident82Confident161 Ų16186.2 Ų86.286%0.86146%0.457SS*.SBendtrans63.458.3-175.7-49.2-66.9000114.7
189P79.7Confident81.8Confident46 Ų4679 Ų7930%0.29943%0.427SS..PPolyproline II helixtrans-63.3143.917927.5-34.6000111.7H278 F279P189-H278 WeakPolarHBondContact CG-O 3.44Å; P189-F279 HydrophobicContact CB-CD1 3.6Å; P189-F279 HydrophobicContact CB-CE1 3.78Å
190A77Confident81.7Confident61 Ų6181.3 Ų81.350%0.50445%0.447SS..PPolyproline II helixtrans-64.1135.5165.800000109.1I192A190-I192 HydrophobicContact CB-CD1 4.35Å; A190-I192 PolarHBondContact O-N 3.22Å
191R77.6Confident81.7Confident220 Ų22085.8 Ų85.883%0.8347%0.467SS*.PPolyproline II helixtrans-72116.9171.3-77.6-151.8178.7-1400.4109.5
192I80.6Confident81.7Confident18 Ų1879.5 Ų79.59%0.09244%0.442CS..PPolyproline II helixtrans-87124.7-178-57.2-55.6000109.1A190 L210 I217 F279 I281A190-I192 HydrophobicContact CB-CD1 4.35Å; A190-I192 PolarHBondContact O-N 3.22Å; I192-L210 HydrophobicContact CD1-CD1 4.31Å; I192-L210 HydrophobicContact CG1-CD1 4.12Å; I192-I217 HydrophobicContact CD1-CD1 4.05Å; I192-I217 HydrophobicContact CD1-CG1 4.47Å; I192-I217 HydrophobicContact CG2-CD1 3.94Å; I192-F279 HydrophobicContact CB-CB 4.46Å; I192-F279 HydrophobicContact CG1-CB 3.9Å; I192-F279 HydrophobicContact CG1-CG 4.43Å; I192-F279 PolarHBondContact N-O 3.21Å; I192-I281 HydrophobicContact CB-CD1 3.96Å; I192-I281 HydrophobicContact CB-CG1 4.2Å; I192-I281 HydrophobicContact CG2-CD1 3.9Å; I192-I281 HydrophobicContact CG2-CG1 4.47Å
193P72.5Confident81.5Confident66 Ų6682.2 Ų82.243%0.42945%0.45SS..PPolyproline II helixtrans-66.3159.6177.727.7-34000111C195 W197P193-C195 VanDerWaalsContact C-N 3.3Å; P193-C195 PolarHBondContact O-N 3.16Å; P193-W197 WeakPolarHBondContact O-CZ2 3.47Å; P193-W197 PolarHBondContact O-NE1 2.83Å
194P63.7Low80.8Confident93 Ų9382.6 Ų82.660%0.60445%0.452SS*.SBendtrans-77.2-10.6-178.330.2-35.8000114.5W197 M286P194-W197 WeakPolarHBondContact O-CH2 3.24Å; P194-W197 WeakPolarHBondContact O-CZ2 3.39Å; P194-M286 HydrophobicContact CB-SD 4.1Å
195C68.5Low80Confident83 Ų8382.3 Ų82.356%0.56145%0.446SS*.SBendtrans-161.3176.5176.264.90000111P193P193-C195 VanDerWaalsContact C-N 3.3Å; P193-C195 PolarHBondContact O-N 3.16Å
196G65.8Low79Confident61 Ų6186.8 Ų86.863%0.62947%0.467SS*.  trans78.522.3174.200000114.4
197W80.8Confident78.4Confident24 Ų2483.8 Ų83.89%0.09145%0.451CS..  trans-65155.8-178.6-50-68000112.8P193 P194 L208 I217 L248 M286P193-W197 WeakPolarHBondContact O-CZ2 3.47Å; P193-W197 PolarHBondContact O-NE1 2.83Å; P194-W197 WeakPolarHBondContact O-CH2 3.24Å; P194-W197 WeakPolarHBondContact O-CZ2 3.39Å; W197-L208 HydrophobicContact CB-CD1 3.58Å; W197-I217 HydrophobicContact CB-CD1 4.37Å; W197-I217 HydrophobicContact CB-CG2 4.37Å; W197-I217 HydrophobicContact CG-CD1 4.23Å; W197-L248 HydrophobicContact CB-CD1 4.16Å; W197-L248 HydrophobicContact CD2-CB 4.19Å; W197-L248 HydrophobicContact CD2-CD1 3.92Å; W197-L248 HydrophobicContact CD2-CD2 4.41Å; W197-L248 HydrophobicContact CD2-CG 4.42Å; W197-L248 HydrophobicContact CE3-CB 3.84Å; W197-L248 HydrophobicContact CE3-CD1 4.36Å; W197-L248 HydrophobicContact CG-CD1 3.82Å; W197-L248 HydrophobicContact CH2-CB 4.49Å; W197-L248 HydrophobicContact CZ2-CD2 4.19Å; W197-L248 HydrophobicContact CZ3-CB 4.01Å; W197-M286 HydrophobicContact CH2-CE 3.81Å; W197-M286 HydrophobicContact CZ2-CE 3.91Å
198K83.4Confident78.6Confident91 Ų9177.1 Ų77.140%0.39642%0.416SS..  trans-143.6142.7176-171.2-171.8176.5-170.30107.8S200 C202 D203 M204K198-S200 PolarHBondContact O-N 2.99Å; K198-C202 WeakPolarHBondContact CE-O 3.06Å; K198-D203 VanDerWaalsContact CE-CA 3.46Å; K198-D203 WeakPolarHBondContact CE-OD1 3.31Å; K198-D203 IonicContact NZ-OD1 3.84Å; K198-D203 PolarHBondContact NZ-OD1 3.47Å; K198-M204 CarbonylContact C-O 3.32Å; K198-M204 WeakPolarHBondContact CA-O 3.16Å
199C88.3Confident79.5Confident5 Ų570.3 Ų70.33%0.03438%0.378CS..  trans-54.7135.4170.2-178.80000109.8K201 M204 L208 C219C199-K201 VanDerWaalsContact C-N 3.29Å; C199-K201 PolarHBondContact O-N 2.63Å; C199-M204 HydrophobicContact CB-CB 4.25Å; C199-M204 PolarHBondContact N-O 2.98Å; C199-L208 HydrophobicContact CB-CD2 3.81Å; C199-C219 HydrophobicContact CB-CB 4.26Å; C199-C219 PolarHBondContact SG-N 3.24Å; C199-C219 VanDerWaalsContact SG-N 3.4Å
200S89.9Confident80.1Confident89 Ų8968.1 Ų68.162%0.62236%0.364SS*.SBendtrans-72.1-24.1179.2660000113.1K198 I217 L218K198-S200 PolarHBondContact O-N 2.99Å; S200-I217 PolarHBondContact N-O 3.42Å; S200-I217 PolarHBondContact OG-O 3.27Å; S200-L218 WeakPolarHBondContact OG-CD2 3.15Å
201K88.6Confident81Confident95 Ų9565.4 Ų65.441%0.41334%0.341SS..SBendtrans-96.8-20.8179.6-69.3-169.2178.4-178.60114.2C199 L218 H232 E239C199-K201 VanDerWaalsContact C-N 3.29Å; C199-K201 PolarHBondContact O-N 2.63Å; K201-L218 HydrophobicContact CB-CD2 4.4Å; K201-L218 HydrophobicContact CD-CD2 4.32Å; K201-L218 HydrophobicContact CG-CD2 3.96Å; K201-H232 HydrophobicContact CB-CB 4.35Å; K201-H232 HydrophobicContact CD-CB 4.24Å; K201-E239 IonicContact NZ-OE1 3.66Å; K201-E239 IonicContact NZ-OE2 2.8Å; K201-E239 PolarHBondContact NZ-OE2 3.18Å
202C88Confident81.8Confident22 Ų2255 Ų5515%0.14930%0.302CS..SBendtrans-146.8-176.2-178.972.80000114.2K198 M204K198-C202 WeakPolarHBondContact CE-O 3.06Å; C202-M204 VanDerWaalsContact C-N 3.3Å; C202-M204 PolarHBondContact O-N 3.32Å
203D84.7Confident82.5Confident128 Ų12854.4 Ų54.468%0.68430%0.299SS*.SBendtrans-846.4-174.2-69.3-40.2000116.2K198K198-D203 VanDerWaalsContact CE-CA 3.46Å; K198-D203 WeakPolarHBondContact CE-OD1 3.31Å; K198-D203 IonicContact NZ-OD1 3.84Å; K198-D203 PolarHBondContact NZ-OD1 3.47Å
204M76.3Confident83.4Confident30 Ų3053.3 Ų53.315%0.14829%0.289CS..  trans-71.5138.8-175.8-69.7-107.9-90.800112.9K198 C199 C202 C219 G228K198-M204 CarbonylContact C-O 3.32Å; K198-M204 WeakPolarHBondContact CA-O 3.16Å; C199-M204 HydrophobicContact CB-CB 4.25Å; C199-M204 PolarHBondContact N-O 2.98Å; C202-M204 VanDerWaalsContact C-N 3.3Å; C202-M204 PolarHBondContact O-N 3.32Å; M204-C219 HydrophobicContact CB-CB 4.12Å; M204-C219 HydrophobicContact CE-CB 3.89Å; M204-G228 WeakPolarHBondContact CE-O 3.32Å
205R73.9Confident84.8Confident168 Ų16849.2 Ų49.263%0.63427%0.265SS*.  trans-118.3-7-177.8-66.8178173.3-92.53.9113.8
206E71.8Confident85.9Confident138 Ų13846.3 Ų46.365%0.64525%0.245SC*.SBendtrans-128.4159.1-176.6-65.1176.2-179.600109.1L208E206-L208 PolarHBondContact O-N 3.3Å
207N79.8Confident87.2Confident18 Ų1844.4 Ų44.410%0.09622%0.22CC..SBendtrans53.650.9-175-162.7-6.8000112.7W209 C219 G220N207-W209 PolarHBondContact OD1-NE1 3.42Å; N207-C219 WeakPolarHBondContact O-CA 3.27Å; N207-G220 PolarHBondContact O-N 3.14Å
208L85.1Confident87.8Confident2 Ų243.4 Ų43.41%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-99.8138.2-179.1-61.6178.5000110.6W197 C199 E206 I217 C219 L248W197-L208 HydrophobicContact CB-CD1 3.58Å; C199-L208 HydrophobicContact CB-CD2 3.81Å; E206-L208 PolarHBondContact O-N 3.3Å; L208-I217 HydrophobicContact CB-CG2 3.98Å; L208-I217 HydrophobicContact CD1-CG2 4.02Å; L208-I217 HydrophobicContact CD2-CG2 4.48Å; L208-I217 HydrophobicContact CG-CG2 4.39Å; L208-C219 HydrophobicContact CD2-CB 4.1Å; L208-L248 HydrophobicContact CB-CB 4.31Å; L208-L248 HydrophobicContact CB-CD1 4.09Å; L208-L248 PolarHBondContact O-N 3.1Å
209W93.3Very high88.2Confident18 Ų1839 Ų397%0.06820%0.198CC..EExtended strand (participates in β ladder)trans-116.4126.1-179.4-6580.6000108.3N207 I217 L218 A233 A245 V246 K247 Y259N207-W209 PolarHBondContact OD1-NE1 3.42Å; W209-I217 WeakPolarHBondContact O-CA 3.47Å; W209-L218 PolarHBondContact N-O 3.4Å; W209-L218 PolarHBondContact O-N 2.89Å; W209-A233 HydrophobicContact CB-CB 4.05Å; W209-A233 HydrophobicContact CG-CB 4.49Å; W209-A245 HydrophobicContact CB-CB 4.2Å; W209-A245 HydrophobicContact CE3-CB 4.27Å; W209-V246 WeakPolarHBondContact CA-O 3.37Å; W209-K247 HydrophobicContact CD2-CB 4.2Å; W209-K247 HydrophobicContact CD2-CG 4.4Å; W209-K247 HydrophobicContact CE3-CB 3.92Å; W209-K247 HydrophobicContact CH2-CB 3.86Å; W209-K247 HydrophobicContact CH2-CD 4.23Å; W209-K247 HydrophobicContact CH2-CG 4.31Å; W209-K247 HydrophobicContact CZ2-CB 4.11Å; W209-K247 HydrophobicContact CZ2-CD 3.9Å; W209-K247 HydrophobicContact CZ2-CG 4.07Å; W209-K247 HydrophobicContact CZ3-CB 3.73Å; W209-Y259 VanDerWaalsContact CZ3-CB 3.41Å; W209-Y259 HydrophobicContact CZ3-CG 4.44Å
210L93.6Very high88.1Confident0 Ų038.8 Ų38.80%020%0.196CC..EExtended strand (participates in β ladder)trans-93.6115.8173.5174.570.2000108I192 L212 G215 S216 I217 A245 V246 L248 L276 F279 I281I192-L210 HydrophobicContact CD1-CD1 4.31Å; I192-L210 HydrophobicContact CG1-CD1 4.12Å; L210-L212 PolarHBondContact O-N 3.21Å; L210-G215 WeakPolarHBondContact CD1-O 3.36Å; L210-S216 WeakPolarHBondContact CA-O 3.44Å; L210-I217 HydrophobicContact CD1-CG1 3.78Å; L210-A245 CarbonylContact O-C 3.47Å; L210-A245 VanDerWaalsContact O-CA 3.23Å; L210-A245 WeakPolarHBondContact O-CA 3.36Å; L210-V246 HydrophobicContact CB-CG1 3.85Å; L210-V246 HydrophobicContact CD2-CG1 4.1Å; L210-V246 HydrophobicContact CG-CG1 4.3Å; L210-V246 PolarHBondContact N-O 2.82Å; L210-V246 PolarHBondContact O-N 2.91Å; L210-L248 HydrophobicContact CB-CD1 4.16Å; L210-L248 HydrophobicContact CB-CD2 3.85Å; L210-L248 HydrophobicContact CB-CG 3.88Å; L210-L248 HydrophobicContact CD2-CD2 4.2Å; L210-L276 HydrophobicContact CD2-CD2 4.2Å; L210-F279 HydrophobicContact CD2-CD2 4.37Å; L210-I281 HydrophobicContact CD2-CD1 3.75Å
211N95.4Very high87.6Confident5 Ų538.2 Ų38.23%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-71.6125.9173.9-169.9-70000109.9T213 D214 G215 S216 Y242N211-T213 PolarHBondContact O-N 2.9Å; N211-T213 VanDerWaalsContact OD1-CB 3.23Å; N211-T213 WeakPolarHBondContact OD1-CB 3.47Å; N211-T213 PolarHBondContact OD1-N 2.96Å; N211-T213 PolarHBondContact OD1-OG1 3.47Å; N211-D214 WeakPolarHBondContact CB-OD1 3.47Å; N211-G215 WeakPolarHBondContact O-CA 3.16Å; N211-G215 PolarHBondContact O-N 3.27Å; N211-S216 WeakPolarHBondContact CB-OG 3.42Å; N211-S216 PolarHBondContact N-O 3.41Å; N211-Y242 WeakPolarHBondContact ND2-CB 3.36Å; N211-Y242 PolarHBondContact ND2-O 3.08Å; N211-Y242 VanDerWaalsContact ND2-O 3.13Å; N211-Y242 WeakPolarHBondContact OD1-CB 3.34Å
212L94.8Very high87Confident0 Ų041.3 Ų41.30%019%0.189CC..THydrogen-bonded Turntrans-75-9.3-173.8-66.9179.8000113.3L183 Q185 L210 L244 V246 V258 L272 H275 L276 F279L183-L212 HydrophobicContact CD2-CB 3.57Å; L183-L212 HydrophobicContact CD2-CD1 4.42Å; Q185-L212 WeakPolarHBondContact CG-O 3.22Å; Q185-L212 PolarHBondContact NE2-O 2.89Å; L210-L212 PolarHBondContact O-N 3.21Å; L212-L244 HydrophobicContact CB-CB 4.37Å; L212-L244 HydrophobicContact CD1-CB 4.07Å; L212-L244 PolarHBondContact N-O 2.95Å; L212-V246 HydrophobicContact CD2-CB 4.21Å; L212-V246 HydrophobicContact CD2-CG1 3.63Å; L212-V246 HydrophobicContact CG-CG1 4.31Å; L212-V258 HydrophobicContact CD1-CG1 4.39Å; L212-L272 HydrophobicContact CD1-CD1 4.08Å; L212-L272 HydrophobicContact CD2-CD1 4.48Å; L212-H275 HydrophobicContact CD1-CB 4.45Å; L212-H275 HydrophobicContact CD2-CB 4.35Å; L212-L276 HydrophobicContact CD2-CD2 4.12Å; L212-F279 WeakPolarHBondContact O-CE2 3.31Å; L212-F279 WeakPolarHBondContact O-CZ 3.33Å
213T94.2Very high85.8Confident7 Ų744.6 Ų44.64%0.04320%0.199CC..THydrogen-bonded Turntrans-86.8-48.4178.8-56.80000112.1K184 Q185 L186 N211 Y242K184-T213 WeakPolarHBondContact O-CG2 3.28Å; Q185-T213 WeakPolarHBondContact CA-O 3.38Å; L186-T213 HydrophobicContact CG-CG2 4.3Å; L186-T213 PolarHBondContact N-O 3Å; N211-T213 PolarHBondContact O-N 2.9Å; N211-T213 VanDerWaalsContact OD1-CB 3.23Å; N211-T213 WeakPolarHBondContact OD1-CB 3.47Å; N211-T213 PolarHBondContact OD1-N 2.96Å; N211-T213 PolarHBondContact OD1-OG1 3.47Å; T213-Y242 HydrophobicContact CG2-CD1 3.41Å; T213-Y242 VanDerWaalsContact CG2-CD1 3.41Å; T213-Y242 HydrophobicContact CG2-CD2 3.71Å; T213-Y242 HydrophobicContact CG2-CE1 3.61Å; T213-Y242 HydrophobicContact CG2-CE2 3.9Å; T213-Y242 HydrophobicContact CG2-CG 3.48Å; T213-Y242 VanDerWaalsContact CG2-CG 3.48Å
214D92.5Very high83.7Confident42 Ų4246.7 Ų46.723%0.22520%0.203CC..THydrogen-bonded Turntrans-120.5-5.7-170.568.9-0.1000115L186 N211 S216 H236 Y242L186-D214 HydrophobicContact CD1-CB 3.7Å; L186-D214 HydrophobicContact CG-CB 4.37Å; N211-D214 WeakPolarHBondContact CB-OD1 3.47Å; D214-S216 VanDerWaalsContact C-N 3.29Å; D214-S216 PolarHBondContact O-N 3.43Å; D214-S216 VanDerWaalsContact OD1-CB 3.26Å; D214-S216 WeakPolarHBondContact OD1-CB 3.18Å; D214-S216 PolarHBondContact OD1-N 3.01Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; D214-H236 IonicContact OD1-NE2 3.67Å; D214-H236 IonicContact OD2-CE1 2.59Å; D214-H236 PolarHBondContact OD2-CE1 3.26Å; D214-H236 IonicContact OD2-NE2 3.09Å; D214-H236 PolarHBondContact OD2-NE2 2.99Å; D214-Y242 HydrophobicContact CB-CD2 4.09Å; D214-Y242 HydrophobicContact CB-CE2 3.78Å; D214-Y242 WeakPolarHBondContact OD2-CE2 3.48Å
215G91.4Very high82.1Confident8 Ų847.1 Ų47.18%0.08221%0.205CC..  trans75.914.8178.600000114.2L210 N211 F279L210-G215 WeakPolarHBondContact CD1-O 3.36Å; N211-G215 WeakPolarHBondContact O-CA 3.16Å; N211-G215 PolarHBondContact O-N 3.27Å; G215-F279 VanDerWaalsContact N-CE1 3.3Å
216S93.3Very high81Confident21 Ų2141.1 Ų41.115%0.14720%0.196CC..  trans-66.8134.7174.557.90000111.2L210 N211 D214 H236L210-S216 WeakPolarHBondContact CA-O 3.44Å; N211-S216 WeakPolarHBondContact CB-OG 3.42Å; N211-S216 PolarHBondContact N-O 3.41Å; D214-S216 VanDerWaalsContact C-N 3.29Å; D214-S216 PolarHBondContact O-N 3.43Å; D214-S216 VanDerWaalsContact OD1-CB 3.26Å; D214-S216 WeakPolarHBondContact OD1-CB 3.18Å; D214-S216 PolarHBondContact OD1-N 3.01Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; S216-H236 PolarHBondContact OG-CD2 2.97Å; S216-H236 PolarHBondContact OG-NE2 3.37Å; S216-H236 VanDerWaalsContact OG-NE2 3.09Å
217I92.6Very high80.1Confident21 Ų2136.7 Ų36.711%0.10818%0.18CC..EExtended strand (participates in β ladder)trans-107.3114.3176.1-60.4176.7000109.1I192 W197 S200 L208 W209 L210 L248I192-I217 HydrophobicContact CD1-CD1 4.05Å; I192-I217 HydrophobicContact CD1-CG1 4.47Å; I192-I217 HydrophobicContact CG2-CD1 3.94Å; W197-I217 HydrophobicContact CB-CD1 4.37Å; W197-I217 HydrophobicContact CB-CG2 4.37Å; W197-I217 HydrophobicContact CG-CD1 4.23Å; S200-I217 PolarHBondContact N-O 3.42Å; S200-I217 PolarHBondContact OG-O 3.27Å; L208-I217 HydrophobicContact CB-CG2 3.98Å; L208-I217 HydrophobicContact CD1-CG2 4.02Å; L208-I217 HydrophobicContact CD2-CG2 4.48Å; L208-I217 HydrophobicContact CG-CG2 4.39Å; W209-I217 WeakPolarHBondContact O-CA 3.47Å; L210-I217 HydrophobicContact CD1-CG1 3.78Å; I217-L248 HydrophobicContact CB-CD1 4.33Å; I217-L248 HydrophobicContact CD1-CD1 3.87Å; I217-L248 HydrophobicContact CG1-CD1 3.89Å; I217-L248 HydrophobicContact CG2-CD1 3.57Å
218L94.1Very high79.7Confident3 Ų337.3 Ų37.32%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-137.6148.4-171.6-63.2167.1000110.8S200 K201 W209 H232 A233 H236S200-L218 WeakPolarHBondContact OG-CD2 3.15Å; K201-L218 HydrophobicContact CB-CD2 4.4Å; K201-L218 HydrophobicContact CD-CD2 4.32Å; K201-L218 HydrophobicContact CG-CD2 3.96Å; W209-L218 PolarHBondContact N-O 3.4Å; W209-L218 PolarHBondContact O-N 2.89Å; L218-H232 HydrophobicContact CB-CB 4.17Å; L218-H232 HydrophobicContact CD2-CB 4.05Å; L218-A233 HydrophobicContact CB-CB 3.8Å; L218-H236 HydrophobicContact CD1-CB 3.19Å
219C90.6Very high79.4Confident0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-73.7149.817860.40000112C199 M204 N207 L208 N230 H232 A233C199-C219 HydrophobicContact CB-CB 4.26Å; C199-C219 PolarHBondContact SG-N 3.24Å; C199-C219 VanDerWaalsContact SG-N 3.4Å; M204-C219 HydrophobicContact CB-CB 4.12Å; M204-C219 HydrophobicContact CE-CB 3.89Å; N207-C219 WeakPolarHBondContact O-CA 3.27Å; L208-C219 HydrophobicContact CD2-CB 4.1Å; C219-N230 PolarHBondContact SG-N 2.86Å; C219-H232 PolarHBondContact SG-ND1 3.38Å; C219-A233 WeakPolarHBondContact O-CB 3.24Å; C219-A233 PolarHBondContact O-N 2.94Å
220G85.3Confident79Confident0 Ų039.6 Ų39.60%021%0.205CC..  trans-65.8-166.4-176.500000115.6N207 G229 N230 N231N207-G220 PolarHBondContact O-N 3.14Å; G220-G229 CarbonylContact O-C 3.56Å; G220-G229 WeakPolarHBondContact O-CA 3.3Å; G220-N230 PolarHBondContact O-N 3.39Å; G220-N231 WeakPolarHBondContact O-CA 3.37Å; G220-N231 PolarHBondContact O-N 2.74Å
221R80.6Confident78.8Confident76 Ų7642.2 Ų42.229%0.28722%0.219SC..PPolyproline II helixtrans-72.5141.9179.3-61.8-172-170.9-154.96.2111.1G229 N231 V234 Y259 D264R221-G229 PolarHBondContact O-N 3.19Å; R221-N231 VanDerWaalsContact CA-OD1 3.25Å; R221-N231 WeakPolarHBondContact CA-OD1 3.09Å; R221-V234 HydrophobicContact CG-CB 4.39Å; R221-V234 HydrophobicContact CG-CG1 4.16Å; R221-Y259 PolarHBondContact NH2-OH 3.37Å; R221-D264 IonicContact CZ-OD1 3.84Å; R221-D264 IonicContact NH1-OD1 2.71Å; R221-D264 PolarHBondContact NH1-OD1 3.29Å; R221-D264 IonicContact NH2-OD1 2.98Å; R221-D264 PolarHBondContact NH2-OD1 3.02Å
222R76Confident78.6Confident160 Ų16043.3 Ų43.360%0.60422%0.224SC*.BIsolated β-bridgetrans-79.7123.5170.5-166.4174.6178.3-179.50.4108.2G229 N231R222-G229 WeakPolarHBondContact CA-O 3.35Å; R222-G229 WeakPolarHBondContact CB-O 3.46Å; R222-G229 WeakPolarHBondContact CG-O 3.17Å; R222-G229 PolarHBondContact N-O 2.93Å; R222-N231 PolarHBondContact N-OD1 2.96Å
223Y62.4Low78.4Confident92 Ų9243.6 Ų43.636%0.36123%0.226SC..PPolyproline II helixtrans-86.4157.1172-60.7-73.9000110D225 G226 S227 M293Y223-D225 VanDerWaalsContact CB-OD1 3.24Å; Y223-D225 WeakPolarHBondContact CB-OD1 3.49Å; Y223-D225 PolarHBondContact O-N 3.14Å; Y223-G226 PolarHBondContact O-N 3.03Å; Y223-G226 VanDerWaalsContact O-N 3.16Å; Y223-S227 WeakPolarHBondContact CB-O 3.28Å; Y223-S227 PolarHBondContact N-O 2.83Å; Y223-M293 HydrophobicContact CE2-CE 4.07Å; Y223-M293 WeakPolarHBondContact OH-CE 3.27Å
224F40.2Very low78.3Confident172 Ų17243.9 Ų43.975%0.75423%0.228SC*.THydrogen-bonded Turntrans-70.8-10.9-173.361.6-93.1000113.5G226F224-G226 VanDerWaalsContact C-N 3.31Å
225D42.6Very low78.3Confident38 Ų3845.6 Ų45.620%0.20323%0.234CC..THydrogen-bonded Turntrans-90.510.1174.266.7-9.2000112.9Y223 S227 M300 E513Y223-D225 VanDerWaalsContact CB-OD1 3.24Å; Y223-D225 WeakPolarHBondContact CB-OD1 3.49Å; Y223-D225 PolarHBondContact O-N 3.14Å; D225-S227 PolarHBondContact O-N 2.87Å; D225-S227 VanDerWaalsContact OD1-CB 3.27Å; D225-S227 WeakPolarHBondContact OD1-CB 3.29Å; D225-S227 PolarHBondContact OD1-N 2.94Å; D225-S227 PolarHBondContact OD1-OG 2.63Å; D225-S227 PolarHBondContact OD2-OG 2.91Å; D225-S227 VanDerWaalsContact OD2-OG 3.08Å; D225-M300 WeakPolarHBondContact OD2-CE 3.27Å; D225-M300 VanDerWaalsContact OD2-SD 3.39Å; D225-E513 VanDerWaalsContact O-CD 3.31Å
226G51.2Low78.5Confident43 Ų4346.2 Ų46.244%0.44324%0.235SC..SBendtrans79.3-8.3-177.900000114.5Y223 F224Y223-G226 PolarHBondContact O-N 3.03Å; Y223-G226 VanDerWaalsContact O-N 3.16Å; F224-G226 VanDerWaalsContact C-N 3.31Å
227S53.3Low78.5Confident44 Ų4447.4 Ų47.431%0.30824%0.237SC..  trans-82166.1175.8830000111.9Y223 D225Y223-S227 WeakPolarHBondContact CB-O 3.28Å; Y223-S227 PolarHBondContact N-O 2.83Å; D225-S227 PolarHBondContact O-N 2.87Å; D225-S227 VanDerWaalsContact OD1-CB 3.27Å; D225-S227 WeakPolarHBondContact OD1-CB 3.29Å; D225-S227 PolarHBondContact OD1-N 2.94Å; D225-S227 PolarHBondContact OD1-OG 2.63Å; D225-S227 PolarHBondContact OD2-OG 2.91Å; D225-S227 VanDerWaalsContact OD2-OG 3.08Å
228G70.6Confident78.5Confident31 Ų3155.9 Ų55.932%0.3227%0.267SS..BIsolated β-bridgetrans96.8-146.6178.900000114.5M204M204-G228 WeakPolarHBondContact CE-O 3.32Å
229G78.6Confident78.5Confident1 Ų162.1 Ų62.11%0.0130%0.296CS..  trans-98.3-171.4-177.900000114.5G220 R221 R222G220-G229 CarbonylContact O-C 3.56Å; G220-G229 WeakPolarHBondContact O-CA 3.3Å; R221-G229 PolarHBondContact O-N 3.19Å; R222-G229 WeakPolarHBondContact CA-O 3.35Å; R222-G229 WeakPolarHBondContact CB-O 3.46Å; R222-G229 WeakPolarHBondContact CG-O 3.17Å; R222-G229 PolarHBondContact N-O 2.93Å
230N85.9Confident78.5Confident68 Ų6864.4 Ų64.436%0.36431%0.31SS..  trans-106.529.2173-65-11.1000112.4C219 G220 H232C219-N230 PolarHBondContact SG-N 2.86Å; G220-N230 PolarHBondContact O-N 3.39Å; N230-H232 PolarHBondContact O-N 2.81Å
231N88.6Confident78.9Confident54 Ų5466.7 Ų66.729%0.28933%0.333SS..SBendtrans62.6-0.8-179.6-66.5-34.6000117.1G220 R221 R222 A233 V234 E235G220-N231 WeakPolarHBondContact O-CA 3.37Å; G220-N231 PolarHBondContact O-N 2.74Å; R221-N231 VanDerWaalsContact CA-OD1 3.25Å; R221-N231 WeakPolarHBondContact CA-OD1 3.09Å; R222-N231 PolarHBondContact N-OD1 2.96Å; N231-A233 VanDerWaalsContact C-N 3.26Å; N231-A233 PolarHBondContact O-N 3.16Å; N231-A233 VanDerWaalsContact O-N 3.11Å; N231-V234 HydrophobicContact CB-CG1 3.89Å; N231-V234 WeakPolarHBondContact O-CG1 3.09Å; N231-V234 PolarHBondContact O-N 2.9Å; N231-V234 VanDerWaalsContact O-N 3.1Å; N231-E235 HydrophobicContact CB-CG 4.46Å; N231-E235 WeakPolarHBondContact O-CG 3.44Å; N231-E235 PolarHBondContact O-N 2.89Å
232H92.3Very high79.7Confident29 Ų2966 Ų6613%0.13433%0.331CS..Hα-helixtrans-58.3-33.5-174.4-63.7129000114.5K201 L218 C219 N230 E235 H236K201-H232 HydrophobicContact CB-CB 4.35Å; K201-H232 HydrophobicContact CD-CB 4.24Å; L218-H232 HydrophobicContact CB-CB 4.17Å; L218-H232 HydrophobicContact CD2-CB 4.05Å; C219-H232 PolarHBondContact SG-ND1 3.38Å; N230-H232 PolarHBondContact O-N 2.81Å; H232-E235 IonicContact CD2-OE2 3.44Å; H232-H236 VanDerWaalsContact O-CB 3.27Å; H232-H236 WeakPolarHBondContact O-CB 3.27Å; H232-H236 PolarHBondContact O-N 3.08Å
233A91Very high80.5Confident5 Ų559.1 Ų59.14%0.04131%0.307CS..Hα-helixtrans-69.8-38.7178.700000112.8W209 L218 C219 N231 Y237 Y261W209-A233 HydrophobicContact CB-CB 4.05Å; W209-A233 HydrophobicContact CG-CB 4.49Å; L218-A233 HydrophobicContact CB-CB 3.8Å; C219-A233 WeakPolarHBondContact O-CB 3.24Å; C219-A233 PolarHBondContact O-N 2.94Å; N231-A233 VanDerWaalsContact C-N 3.26Å; N231-A233 PolarHBondContact O-N 3.16Å; N231-A233 VanDerWaalsContact O-N 3.11Å; A233-Y237 PolarHBondContact O-N 2.79Å; A233-Y237 VanDerWaalsContact O-N 3.11Å; A233-Y261 WeakPolarHBondContact CB-OH 3.34Å
234V91.9Very high82.1Confident14 Ų1454.8 Ų54.89%0.08529%0.29CS..Hα-helixtrans-75.3-34.117662.50000111.9R221 N231 H236 Y237 R238 Y261R221-V234 HydrophobicContact CG-CB 4.39Å; R221-V234 HydrophobicContact CG-CG1 4.16Å; N231-V234 HydrophobicContact CB-CG1 3.89Å; N231-V234 WeakPolarHBondContact O-CG1 3.09Å; N231-V234 PolarHBondContact O-N 2.9Å; N231-V234 VanDerWaalsContact O-N 3.1Å; V234-H236 VanDerWaalsContact C-N 3.34Å; V234-Y237 WeakPolarHBondContact O-CB 3.37Å; V234-Y237 PolarHBondContact O-N 2.95Å; V234-R238 WeakPolarHBondContact O-CG 3.44Å; V234-R238 PolarHBondContact O-N 3.25Å; V234-Y261 HydrophobicContact CB-CD1 4.21Å; V234-Y261 HydrophobicContact CB-CE1 3.86Å; V234-Y261 HydrophobicContact CG2-CD1 4.12Å; V234-Y261 HydrophobicContact CG2-CE1 4.26Å
235E92.3Very high84.8Confident77 Ų7746.6 Ų46.636%0.3626%0.255SS..Hα-helixtrans-63.7-42.3172.4-72.3175.517500111.4N231 H232 Y237 R238 E239N231-E235 HydrophobicContact CB-CG 4.46Å; N231-E235 WeakPolarHBondContact O-CG 3.44Å; N231-E235 PolarHBondContact O-N 2.89Å; H232-E235 IonicContact CD2-OE2 3.44Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.14Å; E235-R238 WeakPolarHBondContact O-CB 3.5Å; E235-R238 PolarHBondContact O-N 3.13Å; E235-R238 VanDerWaalsContact O-N 3.1Å; E235-E239 WeakPolarHBondContact O-CG 3.44Å; E235-E239 PolarHBondContact O-N 2.7Å
236H94.4Very high87.2Confident22 Ų2244.8 Ų44.810%0.10225%0.245CC..Hα-helixtrans-62.9-39.8175.4-176.681.1000112.5D214 S216 L218 H232 V234 E239 T240D214-H236 IonicContact OD1-NE2 3.67Å; D214-H236 IonicContact OD2-CE1 2.59Å; D214-H236 PolarHBondContact OD2-CE1 3.26Å; D214-H236 IonicContact OD2-NE2 3.09Å; D214-H236 PolarHBondContact OD2-NE2 2.99Å; S216-H236 PolarHBondContact OG-CD2 2.97Å; S216-H236 PolarHBondContact OG-NE2 3.37Å; S216-H236 VanDerWaalsContact OG-NE2 3.09Å; L218-H236 HydrophobicContact CD1-CB 3.19Å; H232-H236 VanDerWaalsContact O-CB 3.27Å; H232-H236 WeakPolarHBondContact O-CB 3.27Å; H232-H236 PolarHBondContact O-N 3.08Å; V234-H236 VanDerWaalsContact C-N 3.34Å; H236-E239 PolarHBondContact O-N 3.13Å; H236-T240 WeakPolarHBondContact O-CB 2.85Å; H236-T240 WeakPolarHBondContact O-CG2 3.41Å; H236-T240 PolarHBondContact O-N 2.76Å; H236-T240 PolarHBondContact O-OG1 3.46Å
237Y94.6Very high89Confident46 Ų4642.8 Ų42.818%0.1822%0.224CC..Hα-helixtrans-59-45.7169.6164.5-109.7000111.9A233 V234 E235 E239 T240 G241 Y242 Y261 D262A233-Y237 PolarHBondContact O-N 2.79Å; A233-Y237 VanDerWaalsContact O-N 3.11Å; V234-Y237 WeakPolarHBondContact O-CB 3.37Å; V234-Y237 PolarHBondContact O-N 2.95Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.14Å; Y237-E239 VanDerWaalsContact C-N 3.26Å; Y237-E239 PolarHBondContact O-N 3.37Å; Y237-T240 PolarHBondContact O-N 3.22Å; Y237-G241 WeakPolarHBondContact O-CA 3.36Å; Y237-G241 PolarHBondContact O-N 2.9Å; Y237-Y242 VanDerWaalsContact CD2-O 3.32Å; Y237-Y242 WeakPolarHBondContact CD2-O 3.27Å; Y237-Y261 HydrophobicContact CD1-CD1 4.39Å; Y237-Y261 AromaticContact CD1-CG 3.95Å; Y237-Y261 HydrophobicContact CD1-CG 3.95Å; Y237-Y261 HydrophobicContact CD2-CD2 4.35Å; Y237-Y261 HydrophobicContact CD2-CG 4.24Å; Y237-Y261 WeakPolarHBondContact CE1-O 3.48Å; Y237-Y261 HydrophobicContact CG-CD1 4.45Å; Y237-Y261 HydrophobicContact CG-CD2 4.03Å; Y237-Y261 AromaticContact CG-CG 3.71Å; Y237-Y261 HydrophobicContact CG-CG 3.71Å; Y237-D262 VanDerWaalsContact OH-CA 3.29Å; Y237-D262 WeakPolarHBondContact OH-CA 3.27Å
238R91.8Very high90.3Very high199 Ų19940.8 Ų40.875%0.75121%0.21SC*.Hα-helixtrans-61.8-33.7178-72175.4177.3179.7-0.9113V234 E235V234-R238 WeakPolarHBondContact O-CG 3.44Å; V234-R238 PolarHBondContact O-N 3.25Å; E235-R238 WeakPolarHBondContact O-CB 3.5Å; E235-R238 PolarHBondContact O-N 3.13Å; E235-R238 VanDerWaalsContact O-N 3.1Å
239E93.6Very high90.5Very high134 Ų13439.5 Ų39.563%0.62620%0.196SC*.Hα-helixtrans-75.9-35.3178.5-72.8171-178.700112.7K201 E235 H236 Y237K201-E239 IonicContact NZ-OE1 3.66Å; K201-E239 IonicContact NZ-OE2 2.8Å; K201-E239 PolarHBondContact NZ-OE2 3.18Å; E235-E239 WeakPolarHBondContact O-CG 3.44Å; E235-E239 PolarHBondContact O-N 2.7Å; H236-E239 PolarHBondContact O-N 3.13Å; Y237-E239 VanDerWaalsContact C-N 3.26Å; Y237-E239 PolarHBondContact O-N 3.37Å
240T92.3Very high90.3Very high48 Ų4839.8 Ų39.829%0.29420%0.198SC..Hα-helixtrans-110.6-25.7-168.159.60000114.7H236 Y237 Y242H236-T240 WeakPolarHBondContact O-CB 2.85Å; H236-T240 WeakPolarHBondContact O-CG2 3.41Å; H236-T240 PolarHBondContact O-N 2.76Å; H236-T240 PolarHBondContact O-OG1 3.46Å; Y237-T240 PolarHBondContact O-N 3.22Å; T240-Y242 VanDerWaalsContact C-N 3.28Å; T240-Y242 VanDerWaalsContact CB-CD2 3.47Å; T240-Y242 HydrophobicContact CG2-CD2 3.97Å; T240-Y242 HydrophobicContact CG2-CE2 3.82Å; T240-Y242 WeakPolarHBondContact OG1-CD2 3.5Å; T240-Y242 PolarHBondContact OG1-N 3.32Å
241G93.4Very high89.9Confident47 Ų4736.6 Ų36.649%0.48518%0.181SC..  trans72.714.1-169.400000114.3Y237 P243Y237-G241 WeakPolarHBondContact O-CA 3.36Å; Y237-G241 PolarHBondContact O-N 2.9Å; G241-P243 VanDerWaalsContact O-CD 3.3Å; G241-P243 WeakPolarHBondContact O-CD 3.4Å
242Y96.3Very high89.3Confident62 Ų6235.5 Ų35.524%0.24318%0.176CC..  trans-79.9108.3-177.1-62.3-19.9000112.3L186 N211 T213 D214 Y237 T240L186-Y242 HydrophobicContact CD1-CE2 4.39Å; N211-Y242 WeakPolarHBondContact ND2-CB 3.36Å; N211-Y242 PolarHBondContact ND2-O 3.08Å; N211-Y242 VanDerWaalsContact ND2-O 3.13Å; N211-Y242 WeakPolarHBondContact OD1-CB 3.34Å; T213-Y242 HydrophobicContact CG2-CD1 3.41Å; T213-Y242 VanDerWaalsContact CG2-CD1 3.41Å; T213-Y242 HydrophobicContact CG2-CD2 3.71Å; T213-Y242 HydrophobicContact CG2-CE1 3.61Å; T213-Y242 HydrophobicContact CG2-CE2 3.9Å; T213-Y242 HydrophobicContact CG2-CG 3.48Å; T213-Y242 VanDerWaalsContact CG2-CG 3.48Å; D214-Y242 HydrophobicContact CB-CD2 4.09Å; D214-Y242 HydrophobicContact CB-CE2 3.78Å; D214-Y242 WeakPolarHBondContact OD2-CE2 3.48Å; Y237-Y242 VanDerWaalsContact CD2-O 3.32Å; Y237-Y242 WeakPolarHBondContact CD2-O 3.27Å; T240-Y242 VanDerWaalsContact C-N 3.28Å; T240-Y242 VanDerWaalsContact CB-CD2 3.47Å; T240-Y242 HydrophobicContact CG2-CD2 3.97Å; T240-Y242 HydrophobicContact CG2-CE2 3.82Å; T240-Y242 WeakPolarHBondContact OG1-CD2 3.5Å; T240-Y242 PolarHBondContact OG1-N 3.32Å
243P94.2Very high88Confident16 Ų1637.2 Ų37.210%0.10419%0.19CC..  trans-80.1-31.6-154.928.9-34.6000114.4H179 L183 G241 S260 Y261 D262H179-P243 HydrophobicContact CB-CB 4.37Å; H179-P243 HydrophobicContact CB-CG 3.76Å; L183-P243 HydrophobicContact CD1-CG 4.03Å; G241-P243 VanDerWaalsContact O-CD 3.3Å; G241-P243 WeakPolarHBondContact O-CD 3.4Å; P243-S260 WeakPolarHBondContact O-CA 3.46Å; P243-Y261 PolarHBondContact O-N 2.66Å; P243-D262 HydrophobicContact CB-CB 4.08Å
244L96.1Very high86.6Confident0 Ų044.2 Ų44.20%023%0.227CC..EExtended strand (participates in β ladder)trans-106.8132.1-169.7-63-175.7000112.8H179 L183 L212 V258 V267H179-L244 HydrophobicContact CB-CD1 4.02Å; H179-L244 HydrophobicContact CB-CG 4.08Å; L183-L244 HydrophobicContact CD1-CB 4.13Å; L183-L244 HydrophobicContact CD1-CD1 4.09Å; L183-L244 HydrophobicContact CD1-CG 4.12Å; L183-L244 HydrophobicContact CD2-CB 4.47Å; L183-L244 HydrophobicContact CD2-CD1 4.21Å; L212-L244 HydrophobicContact CB-CB 4.37Å; L212-L244 HydrophobicContact CD1-CB 4.07Å; L212-L244 PolarHBondContact N-O 2.95Å; L244-V258 HydrophobicContact CD2-CG1 4.47Å; L244-V267 HydrophobicContact CD2-CG2 3.93Å
245A95.5Very high85.9Confident1 Ų144.7 Ų44.71%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-135.4142.817000000111.9W209 L210 Y259 Y261W209-A245 HydrophobicContact CB-CB 4.2Å; W209-A245 HydrophobicContact CE3-CB 4.27Å; L210-A245 CarbonylContact O-C 3.47Å; L210-A245 VanDerWaalsContact O-CA 3.23Å; L210-A245 WeakPolarHBondContact O-CA 3.36Å; A245-Y259 PolarHBondContact N-O 2.75Å; A245-Y259 PolarHBondContact O-N 3.03Å; A245-Y261 HydrophobicContact CB-CE2 3.71Å
246V93.5Very high85.4Confident0 Ų041.8 Ų41.80%022%0.224CC..EExtended strand (participates in β ladder)trans-107.2137.4178.163.30000110.3W209 L210 L212 L248 I251 A256 D257 V258 L272 L276W209-V246 WeakPolarHBondContact CA-O 3.37Å; L210-V246 HydrophobicContact CB-CG1 3.85Å; L210-V246 HydrophobicContact CD2-CG1 4.1Å; L210-V246 HydrophobicContact CG-CG1 4.3Å; L210-V246 PolarHBondContact N-O 2.82Å; L210-V246 PolarHBondContact O-N 2.91Å; L212-V246 HydrophobicContact CD2-CB 4.21Å; L212-V246 HydrophobicContact CD2-CG1 3.63Å; L212-V246 HydrophobicContact CG-CG1 4.31Å; V246-L248 PolarHBondContact O-N 3.21Å; V246-I251 HydrophobicContact CG2-CD1 4.48Å; V246-I251 HydrophobicContact CG2-CG1 4.17Å; V246-A256 HydrophobicContact CG2-CB 3.57Å; V246-D257 WeakPolarHBondContact CA-O 3.26Å; V246-V258 HydrophobicContact CB-CG2 4.43Å; V246-V258 HydrophobicContact CG2-CG2 4.24Å; V246-L272 HydrophobicContact CG2-CD1 4.37Å; V246-L276 HydrophobicContact CG1-CD2 3.96Å
247K88.6Confident84.9Confident0 Ų041.4 Ų41.40%022%0.222CC..EExtended strand (participates in β ladder)trans-76.4113.6179.7-166.5177.8-180-168.70110.6W209 G249 T250 D257 K291 M293W209-K247 HydrophobicContact CD2-CB 4.2Å; W209-K247 HydrophobicContact CD2-CG 4.4Å; W209-K247 HydrophobicContact CE3-CB 3.92Å; W209-K247 HydrophobicContact CH2-CB 3.86Å; W209-K247 HydrophobicContact CH2-CD 4.23Å; W209-K247 HydrophobicContact CH2-CG 4.31Å; W209-K247 HydrophobicContact CZ2-CB 4.11Å; W209-K247 HydrophobicContact CZ2-CD 3.9Å; W209-K247 HydrophobicContact CZ2-CG 4.07Å; W209-K247 HydrophobicContact CZ3-CB 3.73Å; K247-G249 PolarHBondContact O-N 3.05Å; K247-T250 HydrophobicContact CB-CG2 4.04Å; K247-T250 HydrophobicContact CD-CG2 3.78Å; K247-T250 HydrophobicContact CG-CG2 4Å; K247-T250 PolarHBondContact O-N 3.17Å; K247-T250 PolarHBondContact O-OG1 3.46Å; K247-D257 HydrophobicContact CB-CB 4.21Å; K247-D257 PolarHBondContact N-O 3.19Å; K247-K291 PolarHBondContact NZ-O 3.22Å; K247-M293 HydrophobicContact CD-SD 4.43Å; K247-M293 PolarHBondContact NZ-SD 2.98Å
248L81.1Confident84.7Confident3 Ų339.3 Ų39.32%0.01621%0.214CC..THydrogen-bonded Turntrans-63.5133.6175.7-68.1173.7000109.9W197 L208 L210 I217 V246 I251W197-L248 HydrophobicContact CB-CD1 4.16Å; W197-L248 HydrophobicContact CD2-CB 4.19Å; W197-L248 HydrophobicContact CD2-CD1 3.92Å; W197-L248 HydrophobicContact CD2-CD2 4.41Å; W197-L248 HydrophobicContact CD2-CG 4.42Å; W197-L248 HydrophobicContact CE3-CB 3.84Å; W197-L248 HydrophobicContact CE3-CD1 4.36Å; W197-L248 HydrophobicContact CG-CD1 3.82Å; W197-L248 HydrophobicContact CH2-CB 4.49Å; W197-L248 HydrophobicContact CZ2-CD2 4.19Å; W197-L248 HydrophobicContact CZ3-CB 4.01Å; L208-L248 HydrophobicContact CB-CB 4.31Å; L208-L248 HydrophobicContact CB-CD1 4.09Å; L208-L248 PolarHBondContact O-N 3.1Å; L210-L248 HydrophobicContact CB-CD1 4.16Å; L210-L248 HydrophobicContact CB-CD2 3.85Å; L210-L248 HydrophobicContact CB-CG 3.88Å; L210-L248 HydrophobicContact CD2-CD2 4.2Å; I217-L248 HydrophobicContact CB-CD1 4.33Å; I217-L248 HydrophobicContact CD1-CD1 3.87Å; I217-L248 HydrophobicContact CG1-CD1 3.89Å; I217-L248 HydrophobicContact CG2-CD1 3.57Å; V246-L248 PolarHBondContact O-N 3.21Å; L248-I251 HydrophobicContact CD2-CD1 4.25Å
249G73.8Confident84.7Confident3 Ų331.4 Ų31.43%0.03119%0.185CC..THydrogen-bonded Turntrans94.7-10.4-174.900000115.4K247 T289 D290K247-G249 PolarHBondContact O-N 3.05Å; G249-T289 WeakPolarHBondContact CA-OG1 3.23Å; G249-T289 PolarHBondContact O-N 2.88Å; G249-D290 PolarHBondContact O-N 3.43Å; G249-D290 VanDerWaalsContact O-N 3.1Å
250T75.3Confident84.7Confident8 Ų825 Ų255%0.04916%0.155CC..  trans-99.7-2.917269.20000114K247 T252 D257K247-T250 HydrophobicContact CB-CG2 4.04Å; K247-T250 HydrophobicContact CD-CG2 3.78Å; K247-T250 HydrophobicContact CG-CG2 4Å; K247-T250 PolarHBondContact O-N 3.17Å; K247-T250 PolarHBondContact O-OG1 3.46Å; T250-T252 PolarHBondContact O-N 3.25Å; T250-D257 HydrophobicContact CG2-CB 4.31Å; T250-D257 PolarHBondContact OG1-N 3.16Å
251I77.9Confident84.6Confident0 Ų023.4 Ų23.40%014%0.144CC..  trans-73.3119.9-177.4-54.4171.1000109.8V246 L248 A256 L276 I281 M283 M286V246-I251 HydrophobicContact CG2-CD1 4.48Å; V246-I251 HydrophobicContact CG2-CG1 4.17Å; L248-I251 HydrophobicContact CD2-CD1 4.25Å; I251-A256 HydrophobicContact CB-CB 4.29Å; I251-A256 HydrophobicContact CG1-CB 3.89Å; I251-L276 HydrophobicContact CD1-CD1 4.24Å; I251-L276 HydrophobicContact CD1-CD2 4.15Å; I251-L276 HydrophobicContact CG2-CD1 3.99Å; I251-I281 HydrophobicContact CD1-CG2 4.47Å; I251-M283 HydrophobicContact CG2-CG 4.06Å; I251-M286 HydrophobicContact CB-CB 4.32Å; I251-M286 HydrophobicContact CB-CE 4.4Å; I251-M286 HydrophobicContact CD1-CE 4.38Å; I251-M286 HydrophobicContact CG2-CB 3.97Å; I251-M286 HydrophobicContact CG2-CG 4.07Å; I251-M286 WeakPolarHBondContact O-CB 3.33Å
252T74.8Confident84.4Confident31 Ų3125.2 Ų25.219%0.1914%0.142CC..BIsolated β-bridgetrans-128.7172.5175.171.40000110.4T250 D254 G255 M283 K288T250-T252 PolarHBondContact O-N 3.25Å; T252-D254 PolarHBondContact O-N 3.08Å; T252-D254 PolarHBondContact OG1-N 3.31Å; T252-G255 PolarHBondContact N-O 3.43Å; T252-G255 PolarHBondContact O-N 3.49Å; T252-G255 PolarHBondContact OG1-N 3.06Å; T252-G255 PolarHBondContact OG1-O 3.49Å; T252-M283 VanDerWaalsContact O-CE 3.24Å; T252-M283 WeakPolarHBondContact O-CE 3.19Å; T252-K288 HydrophobicContact CG2-CB 3.88Å
253P66.7Low84Confident66 Ų6624.5 Ų24.543%0.42914%0.141SC..THydrogen-bonded Turntrans-59.3-26.3171.9-2637000113.8L284P253-L284 HydrophobicContact CB-CD2 4.38Å
254D60.9Low83.4Confident151 Ų15128.4 Ų28.481%0.80716%0.161SC*.THydrogen-bonded Turntrans-90.5-14.4-175.6-54.1-46.8000113.1T252T252-D254 PolarHBondContact O-N 3.08Å; T252-D254 PolarHBondContact OG1-N 3.31Å
255G77.4Confident82.7Confident24 Ų2433.3 Ų33.325%0.24719%0.187CC..BIsolated β-bridgetrans154.8-170.3179.300000114.3T252T252-G255 PolarHBondContact N-O 3.43Å; T252-G255 PolarHBondContact O-N 3.49Å; T252-G255 PolarHBondContact OG1-N 3.06Å; T252-G255 PolarHBondContact OG1-O 3.49Å
256A81.2Confident81.9Confident17 Ų1735.1 Ų35.114%0.1420%0.196CC..  trans-150.5167.1171.500000111.1V246 I251 V258 L272V246-A256 HydrophobicContact CG2-CB 3.57Å; I251-A256 HydrophobicContact CB-CB 4.29Å; I251-A256 HydrophobicContact CG1-CB 3.89Å; A256-V258 PolarHBondContact O-N 3.45Å; A256-L272 HydrophobicContact CB-CD2 3.79Å
257D84.1Confident81.6Confident13 Ų1335.4 Ų35.47%0.0720%0.198CC..  trans-80.5109.2171-78.5-22.2000110.1R174 V246 K247 T250 M266R174-D257 IonicContact CZ-OD1 2.65Å; R174-D257 IonicContact NH1-OD1 3.62Å; R174-D257 PolarHBondContact NH1-OD1 2.8Å; R174-D257 IonicContact NH2-OD1 3.31Å; R174-D257 PolarHBondContact NH2-OD1 2.97Å; V246-D257 WeakPolarHBondContact CA-O 3.26Å; K247-D257 HydrophobicContact CB-CB 4.21Å; K247-D257 PolarHBondContact N-O 3.19Å; T250-D257 HydrophobicContact CG2-CB 4.31Å; T250-D257 PolarHBondContact OG1-N 3.16Å; D257-M266 HydrophobicContact CB-CE 3.57Å
258V89.9Confident81.4Confident2 Ų238.9 Ų38.91%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-107.9131176.3-173.10000109.3L212 L244 V246 A256 M266 V267 D269 L272L212-V258 HydrophobicContact CD1-CG1 4.39Å; L244-V258 HydrophobicContact CD2-CG1 4.47Å; V246-V258 HydrophobicContact CB-CG2 4.43Å; V246-V258 HydrophobicContact CG2-CG2 4.24Å; A256-V258 PolarHBondContact O-N 3.45Å; V258-M266 VanDerWaalsContact O-CE 3.27Å; V258-M266 WeakPolarHBondContact O-CE 3.28Å; V258-V267 HydrophobicContact CB-CG2 4.27Å; V258-V267 HydrophobicContact CG1-CG2 3.86Å; V258-V267 PolarHBondContact O-N 2.87Å; V258-D269 HydrophobicContact CG1-CB 4.38Å; V258-D269 HydrophobicContact CG2-CB 4.33Å; V258-L272 HydrophobicContact CG2-CD1 3.83Å; V258-L272 HydrophobicContact CG2-CD2 3.94Å; V258-L272 HydrophobicContact CG2-CG 4.47Å
259Y91.7Very high81.8Confident34 Ų3439.4 Ų39.413%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-116.5136.2179-173-97000110.2W209 R221 A245 Y261 D264 D265 M266W209-Y259 VanDerWaalsContact CZ3-CB 3.41Å; W209-Y259 HydrophobicContact CZ3-CG 4.44Å; R221-Y259 PolarHBondContact NH2-OH 3.37Å; A245-Y259 PolarHBondContact N-O 2.75Å; A245-Y259 PolarHBondContact O-N 3.03Å; Y259-Y261 AromaticContact CD1-CD1 3.84Å; Y259-Y261 HydrophobicContact CD1-CD1 3.84Å; Y259-Y261 HydrophobicContact CD1-CD2 4.44Å; Y259-Y261 AromaticContact CD1-CE1 3.82Å; Y259-Y261 HydrophobicContact CD1-CE1 3.82Å; Y259-Y261 HydrophobicContact CD1-CE2 4.46Å; Y259-Y261 HydrophobicContact CD1-CG 4.12Å; Y259-Y261 AromaticContact CE1-CD1 3.54Å; Y259-Y261 HydrophobicContact CE1-CD1 3.54Å; Y259-Y261 AromaticContact CE1-CE1 3.77Å; Y259-Y261 HydrophobicContact CE1-CE1 3.77Å; Y259-Y261 HydrophobicContact CE1-CG 4.09Å; Y259-D264 PolarHBondContact OH-O 2.84Å; Y259-D264 PolarHBondContact OH-OD1 2.81Å; Y259-D265 WeakPolarHBondContact CD2-O 3.14Å; Y259-M266 HydrophobicContact CD2-CG 4.38Å; Y259-M266 HydrophobicContact CD2-SD 3.68Å; Y259-M266 HydrophobicContact CG-SD 4.4Å
260S93.3Very high82.5Confident0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-104.7115.7173.9-178.10000109.5P243 D262 E263 D264 D265P243-S260 WeakPolarHBondContact O-CA 3.46Å; S260-D262 VanDerWaalsContact C-N 3.29Å; S260-E263 WeakPolarHBondContact CB-OE2 3.49Å; S260-E263 PolarHBondContact OG-N 2.66Å; S260-E263 PolarHBondContact OG-OE2 3.17Å; S260-D264 WeakPolarHBondContact O-CA 3.49Å; S260-D264 PolarHBondContact O-N 3.02Å; S260-D265 PolarHBondContact N-O 3.29Å; S260-D265 PolarHBondContact O-N 2.89Å
261Y90.9Very high83.2Confident14 Ų1444.1 Ų44.16%0.05525%0.25CC..THydrogen-bonded Turntrans-74.1-21.2176-67.2-74.5000113.4A233 V234 Y237 P243 A245 Y259A233-Y261 WeakPolarHBondContact CB-OH 3.34Å; V234-Y261 HydrophobicContact CB-CD1 4.21Å; V234-Y261 HydrophobicContact CB-CE1 3.86Å; V234-Y261 HydrophobicContact CG2-CD1 4.12Å; V234-Y261 HydrophobicContact CG2-CE1 4.26Å; Y237-Y261 HydrophobicContact CD1-CD1 4.39Å; Y237-Y261 AromaticContact CD1-CG 3.95Å; Y237-Y261 HydrophobicContact CD1-CG 3.95Å; Y237-Y261 HydrophobicContact CD2-CD2 4.35Å; Y237-Y261 HydrophobicContact CD2-CG 4.24Å; Y237-Y261 WeakPolarHBondContact CE1-O 3.48Å; Y237-Y261 HydrophobicContact CG-CD1 4.45Å; Y237-Y261 HydrophobicContact CG-CD2 4.03Å; Y237-Y261 AromaticContact CG-CG 3.71Å; Y237-Y261 HydrophobicContact CG-CG 3.71Å; P243-Y261 PolarHBondContact O-N 2.66Å; A245-Y261 HydrophobicContact CB-CE2 3.71Å; Y259-Y261 AromaticContact CD1-CD1 3.84Å; Y259-Y261 HydrophobicContact CD1-CD1 3.84Å; Y259-Y261 HydrophobicContact CD1-CD2 4.44Å; Y259-Y261 AromaticContact CD1-CE1 3.82Å; Y259-Y261 HydrophobicContact CD1-CE1 3.82Å; Y259-Y261 HydrophobicContact CD1-CE2 4.46Å; Y259-Y261 HydrophobicContact CD1-CG 4.12Å; Y259-Y261 AromaticContact CE1-CD1 3.54Å; Y259-Y261 HydrophobicContact CE1-CD1 3.54Å; Y259-Y261 AromaticContact CE1-CE1 3.77Å; Y259-Y261 HydrophobicContact CE1-CE1 3.77Å; Y259-Y261 HydrophobicContact CE1-CG 4.09Å
262D90.3Very high83.8Confident85 Ų8544.7 Ų44.746%0.45525%0.253SS..THydrogen-bonded Turntrans-78.7-36.7175.9-174.460.7000111.7H179 Y237 P243 S260H179-D262 IonicContact CD2-OD2 3.29Å; H179-D262 IonicContact CE1-OD2 2.78Å; H179-D262 IonicContact NE2-OD2 2.63Å; H179-D262 PolarHBondContact NE2-OD2 3Å; Y237-D262 VanDerWaalsContact OH-CA 3.29Å; Y237-D262 WeakPolarHBondContact OH-CA 3.27Å; P243-D262 HydrophobicContact CB-CB 4.08Å; S260-D262 VanDerWaalsContact C-N 3.29Å
263E86.1Confident84.3Confident46 Ų4645.9 Ų45.922%0.21527%0.266CS..THydrogen-bonded Turntrans-91.9-6.7179-62.1158.5118.900112.3S177 K178 S260 D265S177-E263 WeakPolarHBondContact CB-OE2 3.21Å; S177-E263 PolarHBondContact OG-OE2 2.89Å; K178-E263 HydrophobicContact CD-CG 4.39Å; K178-E263 WeakPolarHBondContact CG-OE1 3.35Å; K178-E263 PolarHBondContact N-OE1 3.07Å; S260-E263 WeakPolarHBondContact CB-OE2 3.49Å; S260-E263 PolarHBondContact OG-N 2.66Å; S260-E263 PolarHBondContact OG-OE2 3.17Å; E263-D265 PolarHBondContact O-N 3.43Å
264D82.6Confident85.2Confident99 Ų9949.4 Ų49.453%0.52928%0.277SS..THydrogen-bonded Turntrans51.728.9-175.2-153.240.9000113.9R221 Y259 S260R221-D264 IonicContact CZ-OD1 3.84Å; R221-D264 IonicContact NH1-OD1 2.71Å; R221-D264 PolarHBondContact NH1-OD1 3.29Å; R221-D264 IonicContact NH2-OD1 2.98Å; R221-D264 PolarHBondContact NH2-OD1 3.02Å; Y259-D264 PolarHBondContact OH-O 2.84Å; Y259-D264 PolarHBondContact OH-OD1 2.81Å; S260-D264 WeakPolarHBondContact O-CA 3.49Å; S260-D264 PolarHBondContact O-N 3.02Å
265D80.4Confident86.7Confident102 Ų10243 Ų4355%0.54524%0.242SC..EExtended strand (participates in β ladder)trans-141.2163.3-170.2-154-8.7000112.9Y259 S260 E263Y259-D265 WeakPolarHBondContact CD2-O 3.14Å; S260-D265 PolarHBondContact N-O 3.29Å; S260-D265 PolarHBondContact O-N 2.89Å; E263-D265 PolarHBondContact O-N 3.43Å
266M80.3Confident87.1Confident40 Ų4041.9 Ų41.920%0.19723%0.23CC..EExtended strand (participates in β ladder)trans-76124.3170.1-69.4-61.2-58.200110R174 D257 V258 Y259R174-M266 HydrophobicContact CG-CB 4.29Å; R174-M266 WeakPolarHBondContact CG-O 3.2Å; D257-M266 HydrophobicContact CB-CE 3.57Å; V258-M266 VanDerWaalsContact O-CE 3.27Å; V258-M266 WeakPolarHBondContact O-CE 3.28Å; Y259-M266 HydrophobicContact CD2-CG 4.38Å; Y259-M266 HydrophobicContact CD2-SD 3.68Å; Y259-M266 HydrophobicContact CG-SD 4.4Å
267V87Confident87.4Confident5 Ų544.5 Ų44.53%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-121.8160.4-171-66.80000111.9Q175 L244 V258Q175-V267 WeakPolarHBondContact O-CA 3.41Å; L244-V267 HydrophobicContact CD2-CG2 3.93Å; V258-V267 HydrophobicContact CB-CG2 4.27Å; V258-V267 HydrophobicContact CG1-CG2 3.86Å; V258-V267 PolarHBondContact O-N 2.87Å
268L84.3Confident87.5Confident74 Ų7446.6 Ų46.639%0.38726%0.257SS..BIsolated β-bridgetrans-91139.6164.4-64.1176.9000109.9R174 Q175 V176 S177R174-L268 HydrophobicContact CB-CD1 4.34Å; R174-L268 HydrophobicContact CB-CD2 3.91Å; R174-L268 HydrophobicContact CB-CG 3.6Å; R174-L268 WeakPolarHBondContact O-CD1 3.4Å; R174-L268 WeakPolarHBondContact O-CG 3.18Å; Q175-L268 PolarHBondContact O-N 3.22Å; V176-L268 WeakPolarHBondContact CA-O 3.46Å; V176-L268 HydrophobicContact CG2-CB 4.16Å; S177-L268 PolarHBondContact N-O 3.23Å
269D88.5Confident87.3Confident13 Ų1346.6 Ų46.67%0.0726%0.256CS..  trans-119.997.1168.6176.811000108.6A180 V258 S271 L272 H275A180-D269 HydrophobicContact CB-CB 4.47Å; V258-D269 HydrophobicContact CG1-CB 4.38Å; V258-D269 HydrophobicContact CG2-CB 4.33Å; D269-S271 PolarHBondContact O-N 2.88Å; D269-S271 VanDerWaalsContact O-N 3.14Å; D269-S271 WeakPolarHBondContact OD1-CA 3.29Å; D269-S271 PolarHBondContact OD1-N 2.89Å; D269-L272 HydrophobicContact CB-CB 4.07Å; D269-L272 WeakPolarHBondContact O-CB 3.27Å; D269-L272 PolarHBondContact O-N 2.88Å; D269-L272 VanDerWaalsContact O-N 3.08Å; D269-L272 PolarHBondContact OD1-N 2.91Å; D269-L272 WeakPolarHBondContact OD2-CA 3.33Å; D269-H275 IonicContact OD1-CE1 3.31Å; D269-H275 PolarHBondContact OD1-CE1 2.91Å; D269-H275 IonicContact OD1-ND1 3.57Å; D269-H275 PolarHBondContact OD1-ND1 2.91Å; D269-H275 IonicContact OD2-CE1 2.71Å; D269-H275 PolarHBondContact OD2-CE1 3.28Å; D269-H275 IonicContact OD2-CG 3.03Å; D269-H275 IonicContact OD2-ND1 3.77Å; D269-H275 PolarHBondContact OD2-ND1 3.34Å
270P88.9Confident86.9Confident79 Ų7947.1 Ų47.151%0.51327%0.272SS..THydrogen-bonded Turntrans-59.7-20.8177-2636.1000113.6V176 F181V176-P270 HydrophobicContact CB-CG 4.37Å; V176-P270 HydrophobicContact CG1-CG 3.72Å; V176-P270 HydrophobicContact CG2-CG 3.68Å; F181-P270 HydrophobicContact CE1-CB 4.29Å; F181-P270 HydrophobicContact CE1-CG 4.46Å; F181-P270 HydrophobicContact CZ-CB 4.24Å; F181-P270 HydrophobicContact CZ-CG 3.98Å
271S89.8Confident86.3Confident32 Ų3247.5 Ų47.522%0.22427%0.274CS..THydrogen-bonded Turntrans-99.212.9180-50.30000112.4D269 A273 E274 H275D269-S271 PolarHBondContact O-N 2.88Å; D269-S271 VanDerWaalsContact O-N 3.14Å; D269-S271 WeakPolarHBondContact OD1-CA 3.29Å; D269-S271 PolarHBondContact OD1-N 2.89Å; S271-A273 VanDerWaalsContact C-N 3.26Å; S271-A273 PolarHBondContact O-N 2.83Å; S271-E274 WeakPolarHBondContact O-CB 3.27Å; S271-E274 PolarHBondContact O-N 3.1Å; S271-H275 PolarHBondContact O-N 3.49Å
272L89.9Confident85.6Confident12 Ų1249.9 Ų49.96%0.06329%0.288CS..Hα-helixtrans-55.7-38.6-173.7-178.863.4000113.3L212 V246 A256 V258 D269 E274 H275 L276 M283L212-L272 HydrophobicContact CD1-CD1 4.08Å; L212-L272 HydrophobicContact CD2-CD1 4.48Å; V246-L272 HydrophobicContact CG2-CD1 4.37Å; A256-L272 HydrophobicContact CB-CD2 3.79Å; V258-L272 HydrophobicContact CG2-CD1 3.83Å; V258-L272 HydrophobicContact CG2-CD2 3.94Å; V258-L272 HydrophobicContact CG2-CG 4.47Å; D269-L272 HydrophobicContact CB-CB 4.07Å; D269-L272 WeakPolarHBondContact O-CB 3.27Å; D269-L272 PolarHBondContact O-N 2.88Å; D269-L272 VanDerWaalsContact O-N 3.08Å; D269-L272 PolarHBondContact OD1-N 2.91Å; D269-L272 WeakPolarHBondContact OD2-CA 3.33Å; L272-E274 VanDerWaalsContact C-N 3.34Å; L272-E274 PolarHBondContact O-N 2.77Å; L272-H275 PolarHBondContact O-N 3.47Å; L272-L276 HydrophobicContact CD1-CD1 3.93Å; L272-L276 HydrophobicContact CD1-CG 3.95Å; L272-L276 HydrophobicContact CD2-CD1 4.43Å; L272-L276 HydrophobicContact CG-CD1 3.83Å; L272-L276 HydrophobicContact CG-CG 4.25Å; L272-L276 VanDerWaalsContact O-CB 3.31Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.37Å; L272-L276 PolarHBondContact O-N 3.1Å; L272-M283 HydrophobicContact CD2-CE 4.16Å; L272-M283 HydrophobicContact CG-SD 4.32Å
273A85.6Confident84.9Confident55 Ų5547 Ų4746%0.45527%0.271SS..Hα-helixtrans-62.2-41.417800000112.1S271 S277 M283S271-A273 VanDerWaalsContact C-N 3.26Å; S271-A273 PolarHBondContact O-N 2.83Å; A273-S277 VanDerWaalsContact O-CB 3.22Å; A273-S277 WeakPolarHBondContact O-CB 3.49Å; A273-S277 PolarHBondContact O-N 2.86Å; A273-M283 VanDerWaalsContact CA-SD 3.58Å; A273-M283 HydrophobicContact CB-SD 3.81Å
274E86.6Confident84.2Confident141 Ų14151.4 Ų51.466%0.65930%0.296SS*.Hα-helixtrans-69.3-43.9176-65.2-62.9150.300110.7S271 L272 L276 S277 H278S271-E274 WeakPolarHBondContact O-CB 3.27Å; S271-E274 PolarHBondContact O-N 3.1Å; L272-E274 VanDerWaalsContact C-N 3.34Å; L272-E274 PolarHBondContact O-N 2.77Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 3.04Å; E274-S277 WeakPolarHBondContact O-CB 3.43Å; E274-S277 PolarHBondContact O-N 3Å; E274-H278 PolarHBondContact O-N 2.74Å; E274-H278 VanDerWaalsContact O-N 3.14Å
275H91.3Very high83.4Confident17 Ų1754.5 Ų54.58%0.07930%0.304CS..Hα-helixtrans-62.4-37.6178.2-65.7155.3000112.9A180 Q185 L212 D269 S271 L272 H278 F279A180-H275 PolarHBondContact O-CE1 2.97Å; A180-H275 VanDerWaalsContact O-CE1 3.25Å; Q185-H275 PolarHBondContact NE2-O 3.3Å; L212-H275 HydrophobicContact CD1-CB 4.45Å; L212-H275 HydrophobicContact CD2-CB 4.35Å; D269-H275 IonicContact OD1-CE1 3.31Å; D269-H275 PolarHBondContact OD1-CE1 2.91Å; D269-H275 IonicContact OD1-ND1 3.57Å; D269-H275 PolarHBondContact OD1-ND1 2.91Å; D269-H275 IonicContact OD2-CE1 2.71Å; D269-H275 PolarHBondContact OD2-CE1 3.28Å; D269-H275 IonicContact OD2-CG 3.03Å; D269-H275 IonicContact OD2-ND1 3.77Å; D269-H275 PolarHBondContact OD2-ND1 3.34Å; S271-H275 PolarHBondContact O-N 3.49Å; L272-H275 PolarHBondContact O-N 3.47Å; H275-H278 WeakPolarHBondContact O-CB 3.11Å; H275-F279 VanDerWaalsContact O-CD2 3.27Å; H275-F279 WeakPolarHBondContact O-CD2 3.34Å
276L86.9Confident82.7Confident0 Ų050.5 Ų50.50%028%0.283CS..Hα-helixtrans-74.5-35.4175.4-73.7177.2000112.3L210 L212 V246 I251 L272 E274 H278 F279 G280 I281 M283L210-L276 HydrophobicContact CD2-CD2 4.2Å; L212-L276 HydrophobicContact CD2-CD2 4.12Å; V246-L276 HydrophobicContact CG1-CD2 3.96Å; I251-L276 HydrophobicContact CD1-CD1 4.24Å; I251-L276 HydrophobicContact CD1-CD2 4.15Å; I251-L276 HydrophobicContact CG2-CD1 3.99Å; L272-L276 HydrophobicContact CD1-CD1 3.93Å; L272-L276 HydrophobicContact CD1-CG 3.95Å; L272-L276 HydrophobicContact CD2-CD1 4.43Å; L272-L276 HydrophobicContact CG-CD1 3.83Å; L272-L276 HydrophobicContact CG-CG 4.25Å; L272-L276 VanDerWaalsContact O-CB 3.31Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.37Å; L272-L276 PolarHBondContact O-N 3.1Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 3.04Å; L276-H278 PolarHBondContact O-N 3.4Å; L276-F279 PolarHBondContact O-N 3.4Å; L276-F279 VanDerWaalsContact O-N 3.08Å; L276-G280 PolarHBondContact O-N 3.25Å; L276-I281 CarbonylContact C-O 3.57Å; L276-I281 HydrophobicContact CB-CB 4.17Å; L276-I281 HydrophobicContact CB-CG2 4.43Å; L276-I281 HydrophobicContact CD2-CD1 4.11Å; L276-I281 PolarHBondContact O-N 3.19Å; L276-M283 HydrophobicContact CD1-CG 3.65Å; L276-M283 HydrophobicContact CD1-SD 3.83Å
277S87Confident81.4Confident72 Ų7256.2 Ų56.250%0.50331%0.309SS..Hα-helixtrans-59.2-36175.4-177.30000111.9A273 E274 F279 G280A273-S277 VanDerWaalsContact O-CB 3.22Å; A273-S277 WeakPolarHBondContact O-CB 3.49Å; A273-S277 PolarHBondContact O-N 2.86Å; E274-S277 WeakPolarHBondContact O-CB 3.43Å; E274-S277 PolarHBondContact O-N 3Å; S277-F279 PolarHBondContact O-N 3.36Å; S277-G280 WeakPolarHBondContact O-CA 3.21Å; S277-G280 PolarHBondContact O-N 3.36Å
278H87.1Confident80.2Confident57 Ų5759.2 Ų59.226%0.26432%0.322SS..Hα-helixtrans-52.5-40.3173.2-17368.9000112.7Q185 L186 P189 E274 H275 L276 G280Q185-H278 VanDerWaalsContact OE1-CB 3.29Å; L186-H278 PolarHBondContact O-CE1 2.88Å; L186-H278 PolarHBondContact O-NE2 2.78Å; P189-H278 WeakPolarHBondContact CG-O 3.44Å; E274-H278 PolarHBondContact O-N 2.74Å; E274-H278 VanDerWaalsContact O-N 3.14Å; H275-H278 WeakPolarHBondContact O-CB 3.11Å; L276-H278 PolarHBondContact O-N 3.4Å; H278-G280 VanDerWaalsContact C-N 3.29Å; H278-G280 PolarHBondContact O-N 3.19Å
279F85.8Confident78.6Confident2 Ų260.7 Ų60.71%0.00933%0.334CS..THydrogen-bonded Turntrans-87.13.3178.5-60.3-66.6000113.9Q185 P189 I192 L210 L212 G215 H275 L276 S277 I281Q185-F279 VanDerWaalsContact NE2-CE2 3.3Å; P189-F279 HydrophobicContact CB-CD1 3.6Å; P189-F279 HydrophobicContact CB-CE1 3.78Å; I192-F279 HydrophobicContact CB-CB 4.46Å; I192-F279 HydrophobicContact CG1-CB 3.9Å; I192-F279 HydrophobicContact CG1-CG 4.43Å; I192-F279 PolarHBondContact N-O 3.21Å; L210-F279 HydrophobicContact CD2-CD2 4.37Å; L212-F279 WeakPolarHBondContact O-CE2 3.31Å; L212-F279 WeakPolarHBondContact O-CZ 3.33Å; G215-F279 VanDerWaalsContact N-CE1 3.3Å; H275-F279 VanDerWaalsContact O-CD2 3.27Å; H275-F279 WeakPolarHBondContact O-CD2 3.34Å; L276-F279 PolarHBondContact O-N 3.4Å; L276-F279 VanDerWaalsContact O-N 3.08Å; S277-F279 PolarHBondContact O-N 3.36Å; F279-I281 HydrophobicContact CB-CD1 4.47Å
280G81.9Confident76.9Confident44 Ų4462 Ų6245%0.45434%0.341SS..THydrogen-bonded Turntrans78.920.9-17800000114.4L276 S277 H278L276-G280 PolarHBondContact O-N 3.25Å; S277-G280 WeakPolarHBondContact O-CA 3.21Å; S277-G280 PolarHBondContact O-N 3.36Å; H278-G280 VanDerWaalsContact C-N 3.29Å; H278-G280 PolarHBondContact O-N 3.19Å
281I80.6Confident75.1Confident8 Ų861.8 Ų61.84%0.04133%0.332CS..  trans-97.2117.6178.4-58.9172.5000109.2I192 L210 I251 L276 F279 M286I192-I281 HydrophobicContact CB-CD1 3.96Å; I192-I281 HydrophobicContact CB-CG1 4.2Å; I192-I281 HydrophobicContact CG2-CD1 3.9Å; I192-I281 HydrophobicContact CG2-CG1 4.47Å; L210-I281 HydrophobicContact CD2-CD1 3.75Å; I251-I281 HydrophobicContact CD1-CG2 4.47Å; L276-I281 CarbonylContact C-O 3.57Å; L276-I281 HydrophobicContact CB-CB 4.17Å; L276-I281 HydrophobicContact CB-CG2 4.43Å; L276-I281 HydrophobicContact CD2-CD1 4.11Å; L276-I281 PolarHBondContact O-N 3.19Å; F279-I281 HydrophobicContact CB-CD1 4.47Å; I281-M286 HydrophobicContact CG2-CE 4.43Å; I281-M286 HydrophobicContact CG2-CG 4Å; I281-M286 HydrophobicContact CG2-SD 4.3Å
282D77.4Confident73.5Confident65 Ų6561 Ų6135%0.34833%0.326SS..  trans-99108.2177-179-10000109.4L284 K285D282-L284 PolarHBondContact O-N 3.08Å; D282-L284 WeakPolarHBondContact OD1-CB 3.46Å; D282-L284 PolarHBondContact OD1-N 3.41Å; D282-K285 HydrophobicContact CB-CD 4.3Å; D282-K285 PolarHBondContact O-N 3.11Å; D282-K285 VanDerWaalsContact OD2-CE 3.27Å; D282-K285 WeakPolarHBondContact OD2-CE 3.39Å; D282-K285 IonicContact OD2-NZ 3.87Å; D282-K285 PolarHBondContact OD2-NZ 3.2Å
283M74.3Confident71.5Confident23 Ų2362 Ų6211%0.11333%0.33CS..G310 helixtrans-57.3-31.5-175-69.1-179.467.500113.1I251 T252 L272 A273 L276 K285 M286I251-M283 HydrophobicContact CG2-CG 4.06Å; T252-M283 VanDerWaalsContact O-CE 3.24Å; T252-M283 WeakPolarHBondContact O-CE 3.19Å; L272-M283 HydrophobicContact CD2-CE 4.16Å; L272-M283 HydrophobicContact CG-SD 4.32Å; A273-M283 VanDerWaalsContact CA-SD 3.58Å; A273-M283 HydrophobicContact CB-SD 3.81Å; L276-M283 HydrophobicContact CD1-CG 3.65Å; L276-M283 HydrophobicContact CD1-SD 3.83Å; M283-K285 PolarHBondContact O-N 3.21Å; M283-M286 PolarHBondContact O-N 3.15Å
284L71.2Confident69.6Low139 Ų13962.1 Ų62.173%0.72833%0.325SS*.G310 helixtrans-66.9-18.7-179.5-65173.5000113.2P253 D282P253-L284 HydrophobicContact CB-CD2 4.38Å; D282-L284 PolarHBondContact O-N 3.08Å; D282-L284 WeakPolarHBondContact OD1-CB 3.46Å; D282-L284 PolarHBondContact OD1-N 3.41Å
285K67.4Low67.8Low164 Ų16456.7 Ų56.771%0.71330%0.3SS*.G310 helixtrans-102.5-4.7-179.4-64.6176.2-173.6136.90113.2D282 M283D282-K285 HydrophobicContact CB-CD 4.3Å; D282-K285 PolarHBondContact O-N 3.11Å; D282-K285 VanDerWaalsContact OD2-CE 3.27Å; D282-K285 WeakPolarHBondContact OD2-CE 3.39Å; D282-K285 IonicContact OD2-NZ 3.87Å; D282-K285 PolarHBondContact OD2-NZ 3.2Å; M283-K285 PolarHBondContact O-N 3.21Å
286M65.2Low65.8Low18 Ų1859 Ų599%0.08931%0.313CS..  trans-89.6144.1-178.4-65.1-66.2-7800110.6P194 W197 I251 I281 M283P194-M286 HydrophobicContact CB-SD 4.1Å; W197-M286 HydrophobicContact CH2-CE 3.81Å; W197-M286 HydrophobicContact CZ2-CE 3.91Å; I251-M286 HydrophobicContact CB-CB 4.32Å; I251-M286 HydrophobicContact CB-CE 4.4Å; I251-M286 HydrophobicContact CD1-CE 4.38Å; I251-M286 HydrophobicContact CG2-CB 3.97Å; I251-M286 HydrophobicContact CG2-CG 4.07Å; I251-M286 WeakPolarHBondContact O-CB 3.33Å; I281-M286 HydrophobicContact CG2-CE 4.43Å; I281-M286 HydrophobicContact CG2-CG 4Å; I281-M286 HydrophobicContact CG2-SD 4.3Å; M283-M286 PolarHBondContact O-N 3.15Å
287Q52.8Low64.1Low161 Ų16163.3 Ų63.375%0.75233%0.333SS*.  trans-126.4147.1174.7-66.5-177.3-2.300108.4T289Q287-T289 PolarHBondContact O-N 3.45Å; Q287-T289 VanDerWaalsContact O-N 3.16Å
288K61.1Low62.1Low68 Ų6861.4 Ų61.430%0.29632%0.317SS..  trans-63.6116.2178.8-172.3177.8175.1-175.50110.1T97 T252 D290 E295T97-K288 HydrophobicContact CG2-CD 4.23Å; T252-K288 HydrophobicContact CG2-CB 3.88Å; K288-D290 WeakPolarHBondContact CE-O 3.09Å; K288-D290 WeakPolarHBondContact CG-O 3.03Å; K288-E295 IonicContact NZ-OE1 3.41Å; K288-E295 PolarHBondContact NZ-OE1 3.28Å; K288-E295 IonicContact NZ-OE2 3.92Å; K288-E295 PolarHBondContact NZ-OE2 2.8Å
289T50.6Low60.1Low105 Ų10560.7 Ų60.764%0.64432%0.315SS*.  trans-113.7-10179.756.30000113.4G249 Q287G249-T289 WeakPolarHBondContact CA-OG1 3.23Å; G249-T289 PolarHBondContact O-N 2.88Å; Q287-T289 PolarHBondContact O-N 3.45Å; Q287-T289 VanDerWaalsContact O-N 3.16Å
290D53.2Low58Low39 Ų3964.3 Ų64.321%0.20933%0.333CS..SBendtrans-134.7155.1-176-148.7-15.6000111G249 K288G249-D290 PolarHBondContact O-N 3.43Å; G249-D290 VanDerWaalsContact O-N 3.1Å; K288-D290 WeakPolarHBondContact CE-O 3.09Å; K288-D290 WeakPolarHBondContact CG-O 3.03Å
291K52Low56.2Low76 Ų7663.5 Ų63.533%0.3332%0.318SS..  trans-75.5144.1-175.9-70.4-174.9-176.1-171.60111.4K247 E295 L296 D299K247-K291 PolarHBondContact NZ-O 3.22Å; K291-E295 WeakPolarHBondContact CA-OE2 3.44Å; K291-E295 HydrophobicContact CB-CB 3.96Å; K291-E295 HydrophobicContact CD-CB 4.44Å; K291-E295 HydrophobicContact CG-CB 4.38Å; K291-L296 HydrophobicContact CB-CD1 4.37Å; K291-L296 HydrophobicContact CB-CD2 4.19Å; K291-L296 HydrophobicContact CB-CG 3.81Å; K291-L296 HydrophobicContact CD-CD2 4.3Å; K291-D299 IonicContact NZ-OD1 2.69Å; K291-D299 PolarHBondContact NZ-OD1 2.79Å; K291-D299 IonicContact NZ-OD2 3.78Å; K291-D299 PolarHBondContact NZ-OD2 3.42Å
292T55.1Low54.4Low16 Ų1669.4 Ų69.410%0.09835%0.346CS..  trans-64.7162.7169.867.10000110T294 E295 L296T292-T294 VanDerWaalsContact C-N 3.28Å; T292-T294 PolarHBondContact O-N 3.18Å; T292-E295 PolarHBondContact N-OE2 2.99Å; T292-E295 PolarHBondContact O-N 3.33Å; T292-E295 VanDerWaalsContact OG1-CG 3.27Å; T292-E295 WeakPolarHBondContact OG1-CG 3.15Å; T292-E295 PolarHBondContact OG1-N 2.81Å; T292-L296 PolarHBondContact O-N 2.87Å; T292-L296 VanDerWaalsContact O-N 3.08Å
293M47.8Very low52.7Low32 Ų3275.3 Ų75.316%0.15836%0.363CS..Hα-helixtrans-57.8-44.1177-68.8-54-56.300111.6Y223 K247 E295 L296 E297Y223-M293 HydrophobicContact CE2-CE 4.07Å; Y223-M293 WeakPolarHBondContact OH-CE 3.27Å; K247-M293 HydrophobicContact CD-SD 4.43Å; K247-M293 PolarHBondContact NZ-SD 2.98Å; M293-E295 VanDerWaalsContact C-N 3.35Å; M293-E295 PolarHBondContact O-N 3.41Å; M293-L296 PolarHBondContact O-N 2.8Å; M293-L296 HydrophobicContact SD-CD1 4.39Å; M293-E297 WeakPolarHBondContact O-CG 3.43Å; M293-E297 PolarHBondContact O-N 2.64Å; M293-E297 VanDerWaalsContact O-N 3.15Å
294T46.4Very low51.6Low57 Ų5775.5 Ų75.535%0.3536%0.364SS..Hα-helixtrans-60.4-39.9175.7-46.70000112.6L99 T292 E297 I298L99-T294 HydrophobicContact CB-CG2 4.05Å; L99-T294 HydrophobicContact CD1-CG2 3.51Å; L99-T294 HydrophobicContact CG-CG2 4.05Å; T292-T294 VanDerWaalsContact C-N 3.28Å; T292-T294 PolarHBondContact O-N 3.18Å; T294-E297 PolarHBondContact O-N 2.78Å; T294-I298 WeakPolarHBondContact O-CD1 3.32Å; T294-I298 VanDerWaalsContact O-CG1 3.23Å; T294-I298 WeakPolarHBondContact O-CG1 3.44Å; T294-I298 PolarHBondContact O-N 3.04Å
295E49Very low50.7Low28 Ų2871 Ų7113%0.13135%0.351CS..Hα-helixtrans-68.6-33.5176.6-76.2169171.700113.5T97 K288 K291 T292 M293 D299T97-E295 VanDerWaalsContact CA-OE1 3.26Å; T97-E295 WeakPolarHBondContact CA-OE1 3.08Å; K288-E295 IonicContact NZ-OE1 3.41Å; K288-E295 PolarHBondContact NZ-OE1 3.28Å; K288-E295 IonicContact NZ-OE2 3.92Å; K288-E295 PolarHBondContact NZ-OE2 2.8Å; K291-E295 WeakPolarHBondContact CA-OE2 3.44Å; K291-E295 HydrophobicContact CB-CB 3.96Å; K291-E295 HydrophobicContact CD-CB 4.44Å; K291-E295 HydrophobicContact CG-CB 4.38Å; T292-E295 PolarHBondContact N-OE2 2.99Å; T292-E295 PolarHBondContact O-N 3.33Å; T292-E295 VanDerWaalsContact OG1-CG 3.27Å; T292-E295 WeakPolarHBondContact OG1-CG 3.15Å; T292-E295 PolarHBondContact OG1-N 2.81Å; M293-E295 VanDerWaalsContact C-N 3.35Å; M293-E295 PolarHBondContact O-N 3.41Å; E295-D299 WeakPolarHBondContact O-CB 3.42Å; E295-D299 PolarHBondContact O-N 3.4Å
296L49.9Very low50.2Low64 Ų6463.5 Ų63.534%0.33532%0.319SS..Hα-helixtrans-67.6-39.7176.1-76.8157.9000111.2K291 T292 M293 D299 M300K291-L296 HydrophobicContact CB-CD1 4.37Å; K291-L296 HydrophobicContact CB-CD2 4.19Å; K291-L296 HydrophobicContact CB-CG 3.81Å; K291-L296 HydrophobicContact CD-CD2 4.3Å; T292-L296 PolarHBondContact O-N 2.87Å; T292-L296 VanDerWaalsContact O-N 3.08Å; M293-L296 PolarHBondContact O-N 2.8Å; M293-L296 HydrophobicContact SD-CD1 4.39Å; L296-D299 PolarHBondContact O-N 2.76Å; L296-M300 WeakPolarHBondContact O-CB 3.38Å; L296-M300 PolarHBondContact O-N 3.26Å
297E50Low50Low92 Ų9266.7 Ų66.743%0.4333%0.33SS..Hα-helixtrans-64.9-38.5177.7-70.4167.4-172.200112.5M293 T294 N301M293-E297 WeakPolarHBondContact O-CG 3.43Å; M293-E297 PolarHBondContact O-N 2.64Å; M293-E297 VanDerWaalsContact O-N 3.15Å; T294-E297 PolarHBondContact O-N 2.78Å; E297-N301 PolarHBondContact O-N 3.45Å; E297-N301 PolarHBondContact O-ND2 3.43Å; E297-N301 VanDerWaalsContact O-ND2 3.11Å
298I45Very low50.3Low32 Ų3265.3 Ų65.316%0.16432%0.323CS..Hα-helixtrans-65.7-48.2174.9-58.1156.4000111L99 T294 M300 N301 Q302L99-I298 HydrophobicContact CD1-CD1 3.38Å; L99-I298 HydrophobicContact CD1-CG1 3.21Å; L99-I298 HydrophobicContact CD2-CD1 3.59Å; L99-I298 HydrophobicContact CD2-CG1 3.78Å; L99-I298 HydrophobicContact CG-CD1 3.2Å; L99-I298 HydrophobicContact CG-CG1 3.6Å; T294-I298 WeakPolarHBondContact O-CD1 3.32Å; T294-I298 VanDerWaalsContact O-CG1 3.23Å; T294-I298 WeakPolarHBondContact O-CG1 3.44Å; T294-I298 PolarHBondContact O-N 3.04Å; I298-M300 PolarHBondContact O-N 3.2Å; I298-N301 PolarHBondContact O-N 3.26Å; I298-Q302 HydrophobicContact CG2-CG 4.23Å; I298-Q302 WeakPolarHBondContact O-CB 3.44Å; I298-Q302 WeakPolarHBondContact O-CG 3.46Å; I298-Q302 PolarHBondContact O-N 3.06Å
299D44.8Very low50.3Low41 Ų4166.4 Ų66.422%0.21933%0.332CS..Hα-helixtrans-64.8-31.6-176-155.368000110.9K291 E295 L296 R303K291-D299 IonicContact NZ-OD1 2.69Å; K291-D299 PolarHBondContact NZ-OD1 2.79Å; K291-D299 IonicContact NZ-OD2 3.78Å; K291-D299 PolarHBondContact NZ-OD2 3.42Å; E295-D299 WeakPolarHBondContact O-CB 3.42Å; E295-D299 PolarHBondContact O-N 3.4Å; L296-D299 PolarHBondContact O-N 2.76Å; D299-R303 VanDerWaalsContact O-CG 3.28Å; D299-R303 WeakPolarHBondContact O-CG 3.27Å; D299-R303 PolarHBondContact O-N 3.08Å; D299-R303 IonicContact OD2-CZ 2.63Å; D299-R303 IonicContact OD2-NE 2.75Å; D299-R303 IonicContact OD2-NH2 3.93Å; D299-R303 PolarHBondContact OD2-NH2 3.24Å
300M42.1Very low51Low79 Ų7961.4 Ų61.439%0.38930%0.301SS..Hα-helixtrans-69.5-41.9174.8-166163.376.900112.1D225 L296 I298D225-M300 WeakPolarHBondContact OD2-CE 3.27Å; D225-M300 VanDerWaalsContact OD2-SD 3.39Å; L296-M300 WeakPolarHBondContact O-CB 3.38Å; L296-M300 PolarHBondContact O-N 3.26Å; I298-M300 PolarHBondContact O-N 3.2Å
301N44.5Very low51.6Low26 Ų2660.7 Ų60.714%0.13930%0.297CS..Hα-helixtrans-73.7-31.1177.4-74.7-41.2000113.2E297 I298 R303E297-N301 PolarHBondContact O-N 3.45Å; E297-N301 PolarHBondContact O-ND2 3.43Å; E297-N301 VanDerWaalsContact O-ND2 3.11Å; I298-N301 PolarHBondContact O-N 3.26Å; N301-R303 VanDerWaalsContact C-N 3.35Å
302Q42.3Very low52.3Low133 Ų13357.7 Ų57.762%0.62128%0.284SS*.Hα-helixtrans-72.5-24.5175.4-76.9-177-6.500113.5I298 I304I298-Q302 HydrophobicContact CG2-CG 4.23Å; I298-Q302 WeakPolarHBondContact O-CB 3.44Å; I298-Q302 WeakPolarHBondContact O-CG 3.46Å; I298-Q302 PolarHBondContact O-N 3.06Å; Q302-I304 VanDerWaalsContact C-N 3.25Å; Q302-I304 PolarHBondContact O-N 3.49Å
303R42.1Very low52.4Low189 Ų18959.7 Ų59.771%0.71330%0.299SS*.THydrogen-bonded Turntrans-75-12.7177-77.4176.9-160.5-167.48.5113.7D299 N301D299-R303 VanDerWaalsContact O-CG 3.28Å; D299-R303 WeakPolarHBondContact O-CG 3.27Å; D299-R303 PolarHBondContact O-N 3.08Å; D299-R303 IonicContact OD2-CZ 2.63Å; D299-R303 IonicContact OD2-NE 2.75Å; D299-R303 IonicContact OD2-NH2 3.93Å; D299-R303 PolarHBondContact OD2-NH2 3.24Å; N301-R303 VanDerWaalsContact C-N 3.35Å
304I50.5Low52.9Low27 Ų2761.6 Ų61.614%0.13833%0.326CS..SBendtrans-96.2113.4178.3-55.2176.9000107.5Q302 E306 L522 T812Q302-I304 VanDerWaalsContact C-N 3.25Å; Q302-I304 PolarHBondContact O-N 3.49Å; I304-E306 HydrophobicContact CG2-CB 3.96Å; I304-E306 PolarHBondContact O-N 3.39Å; I304-L522 HydrophobicContact CG2-CD2 3.98Å; I304-T812 HydrophobicContact CD1-CG2 3.87Å
305G52.3Low53.9Low44 Ų4462.3 Ų62.345%0.45433%0.331SS..THydrogen-bonded Turntrans-59.710.7-179.600000116.4W307 E308 L309G305-W307 PolarHBondContact O-N 3.41Å; G305-E308 PolarHBondContact O-N 3.47Å; G305-L309 PolarHBondContact O-N 2.87Å; G305-L309 VanDerWaalsContact O-N 3.13Å
306E58.4Low55Low7 Ų767.2 Ų67.23%0.03337%0.365CS..Hα-helixtrans-58.8-34.8171.7-176.8177.8-168.900111.9I304 I310 K586 G811I304-E306 HydrophobicContact CG2-CB 3.96Å; I304-E306 PolarHBondContact O-N 3.39Å; E306-I310 HydrophobicContact CG-CD1 3.69Å; E306-I310 WeakPolarHBondContact O-CB 3.39Å; E306-I310 WeakPolarHBondContact O-CG1 3.44Å; E306-I310 PolarHBondContact O-N 3.24Å; E306-K586 IonicContact OE1-NZ 2.64Å; E306-G811 PolarHBondContact OE1-N 3.23Å; E306-G811 VanDerWaalsContact OE2-CA 3.23Å; E306-G811 WeakPolarHBondContact OE2-CA 3.41Å; E306-G811 PolarHBondContact OE2-N 2.73Å
307W59.7Low56.6Low84 Ų8465.1 Ų65.132%0.31835%0.354SS..Hα-helixtrans-66.8-40.6175.3-77.567000113.1G305 Q311 M810 H818G305-W307 PolarHBondContact O-N 3.41Å; W307-Q311 VanDerWaalsContact CZ3-NE2 3.32Å; W307-Q311 VanDerWaalsContact O-CB 3.3Å; W307-Q311 WeakPolarHBondContact O-CB 3.4Å; W307-Q311 PolarHBondContact O-N 2.68Å; W307-Q311 VanDerWaalsContact O-N 3.13Å; W307-M810 VanDerWaalsContact CA-CE 3.44Å; W307-M810 HydrophobicContact CB-CE 3.93Å; W307-M810 HydrophobicContact CD2-CE 3.58Å; W307-M810 HydrophobicContact CE3-CE 4.01Å; W307-M810 HydrophobicContact CG-CE 3.56Å; W307-H818 HydrophobicContact CH2-CB 3.48Å; W307-H818 VanDerWaalsContact CH2-CB 3.48Å; W307-H818 AromaticContact CH2-CD2 3.84Å; W307-H818 AromaticContact CH2-CG 3.55Å; W307-H818 HydrophobicContact CZ2-CB 3.42Å; W307-H818 VanDerWaalsContact CZ2-CB 3.42Å; W307-H818 HydrophobicContact CZ3-CB 4.44Å
308E58.9Low58.4Low132 Ų13267.8 Ų67.862%0.61736%0.364SS*.Hα-helixtrans-67.9-38.7178.4-65.1-177.4170.500111.8G305 E312 S313G305-E308 PolarHBondContact O-N 3.47Å; E308-E312 CarbonylContact O-C 3.44Å; E308-E312 WeakPolarHBondContact O-CA 3.46Å; E308-E312 PolarHBondContact O-N 3.35Å; E308-E312 VanDerWaalsContact O-N 3.14Å; E308-S313 PolarHBondContact O-N 3.5Å
309L61.3Low60.5Low92 Ų9267.8 Ų67.848%0.48237%0.366SS..Hα-helixtrans-70.5-50178.9-166.588.2000111.8G305 E312 L847G305-L309 PolarHBondContact O-N 2.87Å; G305-L309 VanDerWaalsContact O-N 3.13Å; L309-E312 PolarHBondContact O-N 3.22Å; L309-L847 HydrophobicContact CD2-CD1 3.46Å; L309-L847 VanDerWaalsContact CD2-CD1 3.46Å
310I65.8Low62.7Low0 Ų066.3 Ų66.30%036%0.358CS..Hα-helixtrans-74.3-33.8-172.2-67.9172.4000112.3E306 E312 M810 V820 P844 L847E306-I310 HydrophobicContact CG-CD1 3.69Å; E306-I310 WeakPolarHBondContact O-CB 3.39Å; E306-I310 WeakPolarHBondContact O-CG1 3.44Å; E306-I310 PolarHBondContact O-N 3.24Å; I310-E312 VanDerWaalsContact C-N 3.3Å; I310-M810 HydrophobicContact CB-CE 4.04Å; I310-M810 HydrophobicContact CB-CG 4.21Å; I310-M810 HydrophobicContact CB-SD 4.14Å; I310-M810 HydrophobicContact CD1-CB 4.32Å; I310-M810 HydrophobicContact CD1-CG 3.7Å; I310-M810 HydrophobicContact CG2-CE 4.22Å; I310-M810 HydrophobicContact CG2-CG 3.8Å; I310-M810 HydrophobicContact CG2-SD 3.66Å; I310-V820 HydrophobicContact CG2-CG2 3.6Å; I310-P844 HydrophobicContact CB-CG 4.36Å; I310-P844 HydrophobicContact CG1-CB 4.38Å; I310-P844 HydrophobicContact CG1-CG 4.28Å; I310-P844 HydrophobicContact CG2-CG 4.18Å; I310-L847 HydrophobicContact CD1-CB 4.35Å; I310-L847 HydrophobicContact CD1-CD1 4.11Å; I310-L847 HydrophobicContact CG1-CD1 3.95Å
311Q65.1Low65.1Low23 Ų2365.5 Ų65.511%0.10735%0.353CS..THydrogen-bonded Turntrans-90.30.7176.1-60.4177.87.800112.7W307 S313 M810 I831 N833W307-Q311 VanDerWaalsContact CZ3-NE2 3.32Å; W307-Q311 VanDerWaalsContact O-CB 3.3Å; W307-Q311 WeakPolarHBondContact O-CB 3.4Å; W307-Q311 PolarHBondContact O-N 2.68Å; W307-Q311 VanDerWaalsContact O-N 3.13Å; Q311-S313 WeakPolarHBondContact CB-OG 3.44Å; Q311-S313 PolarHBondContact O-N 2.88Å; Q311-S313 VanDerWaalsContact O-N 3.15Å; Q311-M810 HydrophobicContact CG-CE 3.92Å; Q311-M810 HydrophobicContact CG-SD 4.21Å; Q311-I831 HydrophobicContact CB-CD1 4.36Å; Q311-I831 HydrophobicContact CG-CD1 4.46Å; Q311-N833 PolarHBondContact NE2-ND2 2.86Å; Q311-N833 PolarHBondContact OE1-ND2 3.43Å
312E66.3Low67.3Low13 Ų1365 Ų656%0.06135%0.353CS..THydrogen-bonded Turntrans46.737.2-170-56.1178.982.900112.3E308 L309 I310 G314 V315 L317 S840 E841 K842E308-E312 CarbonylContact O-C 3.44Å; E308-E312 WeakPolarHBondContact O-CA 3.46Å; E308-E312 PolarHBondContact O-N 3.35Å; E308-E312 VanDerWaalsContact O-N 3.14Å; L309-E312 PolarHBondContact O-N 3.22Å; I310-E312 VanDerWaalsContact C-N 3.3Å; E312-G314 PolarHBondContact O-N 3.32Å; E312-V315 PolarHBondContact O-N 3.48Å; E312-V315 VanDerWaalsContact O-O 3.05Å; E312-L317 HydrophobicContact CB-CD1 4.13Å; E312-L317 HydrophobicContact CB-CD2 3.96Å; E312-L317 HydrophobicContact CB-CG 4.28Å; E312-S840 VanDerWaalsContact OE2-CA 3.23Å; E312-S840 WeakPolarHBondContact OE2-CA 3.22Å; E312-S840 WeakPolarHBondContact OE2-CB 3.33Å; E312-S840 PolarHBondContact OE2-OG 2.88Å; E312-E841 PolarHBondContact OE1-N 3.37Å; E312-E841 PolarHBondContact OE2-N 3.41Å; E312-K842 WeakPolarHBondContact OE1-CA 3.38Å; E312-K842 WeakPolarHBondContact OE1-CB 3.48Å; E312-K842 PolarHBondContact OE1-N 2.94Å
313S57.9Low69.8Low59 Ų5963 Ų6341%0.41335%0.352SS..THydrogen-bonded Turntrans-62-20.2-171-55.50000113.8E308 Q311 V315E308-S313 PolarHBondContact O-N 3.5Å; Q311-S313 WeakPolarHBondContact CB-OG 3.44Å; Q311-S313 PolarHBondContact O-N 2.88Å; Q311-S313 VanDerWaalsContact O-N 3.15Å; S313-V315 VanDerWaalsContact C-N 3.25Å; S313-V315 PolarHBondContact O-N 3.41Å
314G57.8Low72.3Confident72 Ų7254.3 Ų54.374%0.74232%0.321SS*.THydrogen-bonded Turntrans-76.5-7.4172.600000114.4E312E312-G314 PolarHBondContact O-N 3.32Å
315V68.1Low74.4Confident72 Ų7253.6 Ų53.644%0.43632%0.317SS..SBendtrans-115128.7176.5-174.90000108.5E312 S313 L317E312-V315 PolarHBondContact O-N 3.48Å; E312-V315 VanDerWaalsContact O-O 3.05Å; S313-V315 VanDerWaalsContact C-N 3.25Å; S313-V315 PolarHBondContact O-N 3.41Å; V315-L317 VanDerWaalsContact C-N 3.27Å; V315-L317 HydrophobicContact CB-CD2 4.2Å; V315-L317 HydrophobicContact CG1-CD2 4.14Å; V315-L317 PolarHBondContact O-N 2.84Å
316P72Confident76.5Confident130 Ų13051.5 Ų51.584%0.84430%0.295SS*.  trans-69.588.4172.928.2-32.3000109.4
317L83.6Confident78.1Confident20 Ų2051.1 Ų51.111%0.10529%0.293CS..PPolyproline II helixtrans-67.7139.9178-57.5-177000110.6E312 V315 P319 I831 C838 A839E312-L317 HydrophobicContact CB-CD1 4.13Å; E312-L317 HydrophobicContact CB-CD2 3.96Å; E312-L317 HydrophobicContact CB-CG 4.28Å; V315-L317 VanDerWaalsContact C-N 3.27Å; V315-L317 HydrophobicContact CB-CD2 4.2Å; V315-L317 HydrophobicContact CG1-CD2 4.14Å; V315-L317 PolarHBondContact O-N 2.84Å; L317-P319 WeakPolarHBondContact O-CD 3.49Å; L317-I831 HydrophobicContact CD1-CG2 3.83Å; L317-C838 HydrophobicContact CB-CB 3.63Å; L317-C838 HydrophobicContact CD1-CB 3.89Å; L317-C838 HydrophobicContact CG-CB 4.47Å; L317-A839 WeakPolarHBondContact CD2-O 3.33Å
318K87.6Confident79.7Confident148 Ų14847.1 Ų47.164%0.64328%0.278SS*.PPolyproline II helixtrans-71.6122.9177.9-176.4-176.3176-179.70110.8C838 A839K318-C838 WeakPolarHBondContact O-CA 3.26Å; K318-A839 PolarHBondContact O-N 2.97Å
319P89.3Confident81.1Confident33 Ų3343.6 Ų43.621%0.21426%0.262CS..BIsolated β-bridgetrans-63143.6172.3-25.538.8000112.1L317 F321 E407L317-P319 WeakPolarHBondContact O-CD 3.49Å; P319-F321 HydrophobicContact CB-CE2 3.93Å; P319-F321 HydrophobicContact CB-CZ 4.04Å; P319-E407 HydrophobicContact CG-CB 4.09Å; P319-E407 WeakPolarHBondContact CG-OE2 3Å
320L90.6Very high81.9Confident9 Ų941.3 Ų41.35%0.04725%0.25CC..  trans-116.2142.8178.1-60.1-178.6000110.5Y325 V830 V837 A839L320-Y325 HydrophobicContact CB-CD1 3.78Å; L320-Y325 HydrophobicContact CB-CE1 4.43Å; L320-Y325 HydrophobicContact CB-CG 4.14Å; L320-Y325 HydrophobicContact CD1-CD1 3.75Å; L320-Y325 HydrophobicContact CD1-CE1 3.69Å; L320-Y325 HydrophobicContact CG-CD1 4.42Å; L320-V830 HydrophobicContact CD1-CB 4.42Å; L320-V830 HydrophobicContact CD1-CG1 3.85Å; L320-V830 HydrophobicContact CD1-CG2 3.81Å; L320-V837 HydrophobicContact CB-CG1 4.32Å; L320-V837 PolarHBondContact N-O 2.71Å; L320-A839 HydrophobicContact CD1-CB 4.13Å; L320-A839 HydrophobicContact CD2-CB 4.29Å; L320-A839 HydrophobicContact CG-CB 4.34Å
321F92.4Very high82.3Confident63 Ų6342.4 Ų42.428%0.27626%0.256SS..  trans-135.9160.4-179.2-56.5-81.1000110.4P319 S390 P392 Q409P319-F321 HydrophobicContact CB-CE2 3.93Å; P319-F321 HydrophobicContact CB-CZ 4.04Å; F321-S390 WeakPolarHBondContact CA-OG 3.36Å; F321-P392 HydrophobicContact CE2-CB 4.38Å; F321-P392 HydrophobicContact CZ-CB 4.36Å; F321-Q409 HydrophobicContact CD1-CB 4.23Å; F321-Q409 HydrophobicContact CE1-CB 4Å
322G92Very high82.2Confident15 Ų1542.9 Ų42.916%0.15527%0.266CS..SBendtrans104.8-167.9173.800000114.5G324 Y325 S390G322-G324 PolarHBondContact O-N 3.32Å; G322-Y325 PolarHBondContact O-N 3.42Å; G322-S390 PolarHBondContact N-O 3.3Å; G322-S390 VanDerWaalsContact N-O 3.14Å; G322-S390 PolarHBondContact N-OG 2.63Å
323P94.7Very high82.5Confident92 Ų9244.7 Ų44.760%0.59728%0.277SS*.THydrogen-bonded Turntrans-53.9121.8-175.4-29.137.4000112.7Y325 L385P323-Y325 VanDerWaalsContact C-N 3.28Å; P323-Y325 WeakPolarHBondContact O-CD2 3.49Å; P323-Y325 PolarHBondContact O-N 3.28Å; P323-L385 WeakPolarHBondContact CA-O 3.48Å; P323-L385 VanDerWaalsContact CB-O 3.29Å; P323-L385 WeakPolarHBondContact CB-O 3.33Å
324G93.4Very high83.6Confident6 Ų641.9 Ų41.96%0.06226%0.257CS..THydrogen-bonded Turntrans77.46.9179.900000115.1G322 L384 K825 Y832G322-G324 PolarHBondContact O-N 3.32Å; G324-L384 VanDerWaalsContact CA-O 3.28Å; G324-L384 WeakPolarHBondContact CA-O 3.28Å; G324-L384 PolarHBondContact N-O 2.88Å; G324-L384 VanDerWaalsContact N-O 3.13Å; G324-K825 PolarHBondContact O-NZ 3.45Å; G324-Y832 PolarHBondContact O-OH 3.49Å
325Y95.8Very high84.8Confident11 Ų1138.7 Ų38.74%0.04322%0.223CC..  trans-115.225.6176.4-60.5-80.5000112.3L320 G322 P323 S390 Q409 K825 E826 R828 V830 V837L320-Y325 HydrophobicContact CB-CD1 3.78Å; L320-Y325 HydrophobicContact CB-CE1 4.43Å; L320-Y325 HydrophobicContact CB-CG 4.14Å; L320-Y325 HydrophobicContact CD1-CD1 3.75Å; L320-Y325 HydrophobicContact CD1-CE1 3.69Å; L320-Y325 HydrophobicContact CG-CD1 4.42Å; G322-Y325 PolarHBondContact O-N 3.42Å; P323-Y325 VanDerWaalsContact C-N 3.28Å; P323-Y325 WeakPolarHBondContact O-CD2 3.49Å; P323-Y325 PolarHBondContact O-N 3.28Å; Y325-S390 PolarHBondContact O-OG 3.36Å; Y325-S390 VanDerWaalsContact O-OG 3.05Å; Y325-Q409 PolarHBondContact O-NE2 2.93Å; Y325-Q409 PolarHBondContact O-OE1 2.78Å; Y325-K825 HydrophobicContact CE1-CD 4.44Å; Y325-E826 VanDerWaalsContact OH-CD 3.23Å; Y325-E826 PolarHBondContact OH-OE1 2.86Å; Y325-R828 VanDerWaalsContact CZ-NH2 3.33Å; Y325-R828 PolarHBondContact OH-NH2 2.86Å; Y325-V830 HydrophobicContact CD1-CG1 4.34Å; Y325-V830 HydrophobicContact CE1-CG2 3.95Å; Y325-V837 HydrophobicContact CD1-CG1 4.38Å
326T95.3Very high85.8Confident0 Ų035.4 Ų35.40%020%0.203CC..  trans-78.3129.9-178.9-51.40000111.9Q342 G383 L384 I412T326-Q342 PolarHBondContact O-NE2 2.76Å; T326-G383 PolarHBondContact OG1-O 3.12Å; T326-L384 HydrophobicContact CG2-CD2 4.44Å; T326-L384 PolarHBondContact OG1-O 3.47Å; T326-I412 HydrophobicContact CG2-CG1 4.34Å; T326-I412 HydrophobicContact CG2-CG2 3.95Å
327G92.7Very high87Confident0 Ų029.2 Ų29.20%016%0.163CC..  trans-79.2154.9172.500000112.7Q409 G411 I412 D834G327-Q409 VanDerWaalsContact N-CD 3.27Å; G327-Q409 VanDerWaalsContact N-OE1 3.09Å; G327-G411 CarbonylContact O-C 3.32Å; G327-G411 WeakPolarHBondContact O-CA 3.3Å; G327-I412 PolarHBondContact O-N 3.42Å; G327-D834 CarbonylContact C-O 3.6Å; G327-D834 WeakPolarHBondContact CA-O 3.23Å
328I93.3Very high87.6Confident0 Ų028.5 Ų28.50%016%0.159CC..BIsolated β-bridgetrans-118124179.9-55.2174000109.7N338 V341 Q342 L384 I412 P414 D834 Q835I328-N338 HydrophobicContact CB-CB 4.26Å; I328-N338 HydrophobicContact CD1-CB 4.23Å; I328-N338 HydrophobicContact CG2-CB 4.35Å; I328-N338 VanDerWaalsContact CG2-CG 3.49Å; I328-N338 WeakPolarHBondContact CG2-OD1 3.37Å; I328-V341 HydrophobicContact CD1-CG2 3.59Å; I328-Q342 HydrophobicContact CD1-CG 3.82Å; I328-L384 HydrophobicContact CD1-CD1 4.49Å; I328-L384 HydrophobicContact CD1-CD2 3.88Å; I328-L384 HydrophobicContact CG1-CD2 3.77Å; I328-I412 CarbonylContact C-O 3.57Å; I328-I412 WeakPolarHBondContact CA-O 3.15Å; I328-I412 HydrophobicContact CG1-CD1 4.35Å; I328-I412 HydrophobicContact CG1-CG1 4.09Å; I328-I412 HydrophobicContact CG2-CG1 4.49Å; I328-P414 VanDerWaalsContact CG2-CD 3.46Å; I328-P414 HydrophobicContact CG2-CG 3.58Å; I328-D834 PolarHBondContact N-O 3.36Å; I328-D834 CarbonylContact O-C 3.58Å; I328-D834 WeakPolarHBondContact O-CA 3.29Å; I328-D834 WeakPolarHBondContact O-CB 3.5Å; I328-Q835 PolarHBondContact O-N 3.32Å; I328-Q835 VanDerWaalsContact O-N 3.16Å
329Q87.8Confident88Confident57 Ų5721.6 Ų21.627%0.26613%0.129SC..  trans-63.7134.5177-169174.123.900111.6L331 I412 A413 Q835Q329-L331 PolarHBondContact O-N 3.04Å; Q329-I412 PolarHBondContact N-O 3.06Å; Q329-A413 HydrophobicContact CB-CB 4.24Å; Q329-Q835 HydrophobicContact CB-CG 4.26Å
330N79.1Confident88.5Confident44 Ų4420 Ų2024%0.23512%0.12CC..  trans-71.8125.4172.2-165.5-57.1000110G332 N333 D834N330-G332 WeakPolarHBondContact OD1-CA 3.15Å; N330-G332 PolarHBondContact OD1-N 3.3Å; N330-N333 PolarHBondContact OD1-N 2.9Å; N330-N333 VanDerWaalsContact OD1-N 3.15Å; N330-D834 HydrophobicContact CB-CB 4.42Å; N330-D834 PolarHBondContact ND2-OD2 3.13Å
331L73.6Confident88.8Confident24 Ų2419.6 Ų19.613%0.12612%0.117CC..  trans-10126.1-176.7-55.7179.8000112.6Q329 S334 A413 P414 R415 K418Q329-L331 PolarHBondContact O-N 3.04Å; L331-S334 PolarHBondContact N-OG 3.18Å; L331-A413 HydrophobicContact CD2-CB 4.23Å; L331-P414 HydrophobicContact CD1-CG 4.22Å; L331-R415 HydrophobicContact CD1-CB 4.35Å; L331-R415 HydrophobicContact CD1-CG 3.77Å; L331-R415 HydrophobicContact CD2-CG 3.7Å; L331-R415 HydrophobicContact CG-CG 4.38Å; L331-K418 HydrophobicContact CD1-CB 4.47Å; L331-K418 HydrophobicContact CD1-CD 4.21Å
332G62.7Low89.1Confident32 Ų3216.9 Ų16.933%0.3311%0.106SC..SBendtrans83.799.4-167.700000110.2N330 S334N330-G332 WeakPolarHBondContact OD1-CA 3.15Å; N330-G332 PolarHBondContact OD1-N 3.3Å; G332-S334 PolarHBondContact O-N 2.84Å
333N72.9Confident89.4Confident52 Ų5216.2 Ų16.228%0.27810%0.098SC..SBendtrans58.223.3179.7-60.1-46000115.5N330 C335 Y336 N431 Q433N330-N333 PolarHBondContact OD1-N 2.9Å; N330-N333 VanDerWaalsContact OD1-N 3.15Å; N333-C335 VanDerWaalsContact C-N 3.31Å; N333-C335 PolarHBondContact O-N 2.6Å; N333-Y336 WeakPolarHBondContact O-CD1 3.45Å; N333-Y336 WeakPolarHBondContact O-CE1 3.47Å; N333-N431 WeakPolarHBondContact CB-O 3.07Å; N333-N431 PolarHBondContact ND2-O 3.14Å; N333-Q433 HydrophobicContact CB-CG 3.71Å; N333-Q433 VanDerWaalsContact CG-CG 3.45Å; N333-Q433 WeakPolarHBondContact OD1-CG 3.47Å; N333-Q433 PolarHBondContact OD1-NE2 2.9Å
334S80.3Confident89.6Confident0 Ų012.1 Ų12.10%07%0.071CC..THydrogen-bonded Turntrans-87.412.3-176.271.70000115L331 G332 Y336 L337 N338L331-S334 PolarHBondContact N-OG 3.18Å; G332-S334 PolarHBondContact O-N 2.84Å; S334-Y336 VanDerWaalsContact C-N 3.27Å; S334-Y336 PolarHBondContact O-N 2.84Å; S334-L337 WeakPolarHBondContact O-CB 3.35Å; S334-L337 PolarHBondContact O-N 2.93Å; S334-L337 VanDerWaalsContact O-N 3.12Å; S334-N338 VanDerWaalsContact O-CG 3.26Å; S334-N338 PolarHBondContact O-N 3.36Å; S334-N338 PolarHBondContact O-OD1 2.62Å
335C83.8Confident89.8Confident5 Ų512.2 Ų12.23%0.0347%0.07CC..Hα-helixtrans-64.9-28.5-174.455.60000113.3N333 N338 S339 Y819N333-C335 VanDerWaalsContact C-N 3.31Å; N333-C335 PolarHBondContact O-N 2.6Å; C335-N338 PolarHBondContact O-N 2.86Å; C335-S339 WeakPolarHBondContact O-CB 3.24Å; C335-S339 PolarHBondContact O-N 3.36Å; C335-S339 PolarHBondContact O-OG 2.71Å; C335-Y819 PolarHBondContact SG-N 3Å; C335-Y819 VanDerWaalsContact SG-N 3.41Å
336Y90Very high89.9Confident2 Ų212.3 Ų12.31%0.0087%0.072CC..Hα-helixtrans-62.1-45.1172.164.3-93.7000111.5N333 S334 V340 F428 Q434 F439N333-Y336 WeakPolarHBondContact O-CD1 3.45Å; N333-Y336 WeakPolarHBondContact O-CE1 3.47Å; S334-Y336 VanDerWaalsContact C-N 3.27Å; S334-Y336 PolarHBondContact O-N 2.84Å; Y336-V340 WeakPolarHBondContact O-CG2 3.29Å; Y336-V340 PolarHBondContact O-N 3.14Å; Y336-F428 AromaticContact CE2-CD1 3.89Å; Y336-F428 HydrophobicContact CE2-CD1 3.89Å; Y336-F428 HydrophobicContact CE2-CE1 4.13Å; Y336-Q434 WeakPolarHBondContact CB-O 3.49Å; Y336-Q434 HydrophobicContact CD1-CB 3.72Å; Y336-Q434 HydrophobicContact CD1-CG 4.36Å; Y336-Q434 HydrophobicContact CD2-CB 4.04Å; Y336-Q434 HydrophobicContact CE1-CB 3.55Å; Y336-Q434 HydrophobicContact CE1-CG 3.68Å; Y336-Q434 HydrophobicContact CE2-CB 3.93Å; Y336-Q434 HydrophobicContact CE2-CG 4.26Å; Y336-Q434 HydrophobicContact CG-CB 3.96Å; Y336-F439 HydrophobicContact CD2-CB 3.82Å; Y336-F439 HydrophobicContact CD2-CD1 4.25Å; Y336-F439 AromaticContact CD2-CD2 3.84Å; Y336-F439 HydrophobicContact CD2-CD2 3.84Å; Y336-F439 HydrophobicContact CD2-CE2 4.47Å; Y336-F439 AromaticContact CD2-CG 3.69Å; Y336-F439 HydrophobicContact CD2-CG 3.69Å; Y336-F439 HydrophobicContact CE2-CB 4.3Å; Y336-F439 AromaticContact CE2-CD2 3.56Å; Y336-F439 HydrophobicContact CE2-CD2 3.56Å; Y336-F439 HydrophobicContact CE2-CE2 4Å; Y336-F439 AromaticContact CE2-CG 3.94Å; Y336-F439 HydrophobicContact CE2-CG 3.94Å
337L96.4Very high90.1Very high1 Ų112.3 Ų12.31%0.0057%0.072CC..Hα-helixtrans-63.7-50.2177.4177.1158.1000109.6S334 S339 V340 V341 P414 F417 K418 I421 F439S334-L337 WeakPolarHBondContact O-CB 3.35Å; S334-L337 PolarHBondContact O-N 2.93Å; S334-L337 VanDerWaalsContact O-N 3.12Å; L337-S339 VanDerWaalsContact C-N 3.31Å; L337-S339 PolarHBondContact O-N 2.74Å; L337-V340 PolarHBondContact O-N 2.86Å; L337-V341 HydrophobicContact CD2-CG1 4.25Å; L337-V341 HydrophobicContact CD2-CG2 4.23Å; L337-V341 HydrophobicContact CG-CG1 4.47Å; L337-V341 WeakPolarHBondContact O-CG1 3.43Å; L337-V341 WeakPolarHBondContact O-CG2 3.49Å; L337-V341 PolarHBondContact O-N 2.81Å; L337-P414 HydrophobicContact CD2-CG 4.2Å; L337-F417 HydrophobicContact CD1-CD1 4.22Å; L337-F417 HydrophobicContact CD1-CE1 4.14Å; L337-F417 HydrophobicContact CD2-CD1 4.43Å; L337-F417 HydrophobicContact CD2-CE1 4.38Å; L337-F417 HydrophobicContact CG-CE1 4.31Å; L337-K418 HydrophobicContact CD1-CB 3.95Å; L337-K418 HydrophobicContact CD1-CG 3.96Å; L337-I421 HydrophobicContact CD1-CD1 4.1Å; L337-F439 HydrophobicContact CB-CE1 4.02Å; L337-F439 HydrophobicContact CB-CE2 4.23Å; L337-F439 HydrophobicContact CB-CZ 3.8Å; L337-F439 HydrophobicContact CD1-CE2 4.07Å; L337-F439 HydrophobicContact CD1-CZ 3.75Å; L337-F439 HydrophobicContact CG-CE1 3.96Å; L337-F439 HydrophobicContact CG-CE2 4.18Å; L337-F439 HydrophobicContact CG-CZ 3.49Å; L337-F439 VanDerWaalsContact CG-CZ 3.49Å
338N95.4Very high90.3Very high4 Ų414.9 Ų14.92%0.0219%0.089CC..Hα-helixtrans-56.4-46.9-178.3-65-5.4000111.1I328 S334 C335 V341 Q342 D834I328-N338 HydrophobicContact CB-CB 4.26Å; I328-N338 HydrophobicContact CD1-CB 4.23Å; I328-N338 HydrophobicContact CG2-CB 4.35Å; I328-N338 VanDerWaalsContact CG2-CG 3.49Å; I328-N338 WeakPolarHBondContact CG2-OD1 3.37Å; S334-N338 VanDerWaalsContact O-CG 3.26Å; S334-N338 PolarHBondContact O-N 3.36Å; S334-N338 PolarHBondContact O-OD1 2.62Å; C335-N338 PolarHBondContact O-N 2.86Å; N338-V341 WeakPolarHBondContact O-CG2 3.07Å; N338-Q342 WeakPolarHBondContact O-CB 3.49Å; N338-Q342 WeakPolarHBondContact O-CG 3.31Å; N338-Q342 PolarHBondContact O-N 3.11Å; N338-Q342 VanDerWaalsContact O-N 3.12Å; N338-D834 PolarHBondContact ND2-OD1 3.21Å
339S97.4Very high90.5Very high3 Ų315.3 Ų15.32%0.0219%0.091CC..Hα-helixtrans-63.8-43.6-179.8-63.70000112.6C335 L337 V343 Y819C335-S339 WeakPolarHBondContact O-CB 3.24Å; C335-S339 PolarHBondContact O-N 3.36Å; C335-S339 PolarHBondContact O-OG 2.71Å; L337-S339 VanDerWaalsContact C-N 3.31Å; L337-S339 PolarHBondContact O-N 2.74Å; S339-V343 WeakPolarHBondContact O-CG2 3.33Å; S339-V343 PolarHBondContact O-N 2.82Å; S339-Y819 PolarHBondContact OG-O 2.82Å
340V98.6Very high91Very high1 Ų112.8 Ų12.81%0.0068%0.08CC..Hα-helixtrans-67.1-46.6179.7168.40000111.6Y336 L337 Q342 V343 L344 A436 F439 F440 L443 I807Y336-V340 WeakPolarHBondContact O-CG2 3.29Å; Y336-V340 PolarHBondContact O-N 3.14Å; L337-V340 PolarHBondContact O-N 2.86Å; V340-Q342 VanDerWaalsContact C-N 3.35Å; V340-Q342 PolarHBondContact O-N 2.94Å; V340-V343 PolarHBondContact O-N 3.06Å; V340-L344 HydrophobicContact CG1-CD1 3.97Å; V340-L344 HydrophobicContact CG1-CG 4.33Å; V340-L344 WeakPolarHBondContact O-CG 3.41Å; V340-L344 PolarHBondContact O-N 2.76Å; V340-A436 HydrophobicContact CG2-CB 4.27Å; V340-F439 HydrophobicContact CB-CD1 3.78Å; V340-F439 HydrophobicContact CB-CE1 4.02Å; V340-F439 HydrophobicContact CG1-CD1 3.89Å; V340-F439 HydrophobicContact CG1-CE1 4.02Å; V340-F439 HydrophobicContact CG2-CD1 3.95Å; V340-F440 HydrophobicContact CG1-CB 4.19Å; V340-F440 HydrophobicContact CG1-CD2 4.07Å; V340-F440 HydrophobicContact CG2-CB 4.25Å; V340-L443 HydrophobicContact CG1-CD2 4.49Å; V340-I807 HydrophobicContact CG2-CD1 3.77Å
341V98.1Very high91.9Very high0 Ų013.4 Ų13.40%08%0.081CC..Hα-helixtrans-69.5-32.3-176.1-580000112.6I328 L337 N338 V343 L344 F345 L380 F417 F439 L443I328-V341 HydrophobicContact CD1-CG2 3.59Å; L337-V341 HydrophobicContact CD2-CG1 4.25Å; L337-V341 HydrophobicContact CD2-CG2 4.23Å; L337-V341 HydrophobicContact CG-CG1 4.47Å; L337-V341 WeakPolarHBondContact O-CG1 3.43Å; L337-V341 WeakPolarHBondContact O-CG2 3.49Å; L337-V341 PolarHBondContact O-N 2.81Å; N338-V341 WeakPolarHBondContact O-CG2 3.07Å; V341-V343 VanDerWaalsContact C-N 3.32Å; V341-V343 PolarHBondContact O-N 3.41Å; V341-L344 PolarHBondContact O-N 2.73Å; V341-F345 WeakPolarHBondContact O-CD2 3.13Å; V341-F345 PolarHBondContact O-N 2.91Å; V341-L380 HydrophobicContact CB-CD2 3.97Å; V341-L380 HydrophobicContact CG1-CD2 3.9Å; V341-L380 HydrophobicContact CG2-CD2 4.2Å; V341-F417 HydrophobicContact CG1-CE1 4Å; V341-F417 HydrophobicContact CG1-CZ 4.3Å; V341-F439 HydrophobicContact CG1-CE1 4.46Å; V341-L443 HydrophobicContact CG1-CD2 4.29Å
342Q98.3Very high93.1Very high6 Ų617 Ų173%0.0289%0.093CC..Hα-helixtrans-60.7-41.4173.3-75.2-74.310.800112T326 I328 N338 V340 S346 I823 Y832T326-Q342 PolarHBondContact O-NE2 2.76Å; I328-Q342 HydrophobicContact CD1-CG 3.82Å; N338-Q342 WeakPolarHBondContact O-CB 3.49Å; N338-Q342 WeakPolarHBondContact O-CG 3.31Å; N338-Q342 PolarHBondContact O-N 3.11Å; N338-Q342 VanDerWaalsContact O-N 3.12Å; V340-Q342 VanDerWaalsContact C-N 3.35Å; V340-Q342 PolarHBondContact O-N 2.94Å; Q342-S346 PolarHBondContact O-N 3.46Å; Q342-S346 PolarHBondContact O-OG 2.87Å; Q342-I823 HydrophobicContact CB-CD1 4.06Å; Q342-I823 WeakPolarHBondContact O-CD1 3.4Å; Q342-Y832 VanDerWaalsContact CD-CD1 3.4Å; Q342-Y832 HydrophobicContact CG-CD1 4.14Å; Q342-Y832 HydrophobicContact CG-CG 4.23Å; Q342-Y832 VanDerWaalsContact NE2-CD1 3.35Å
343V98.6Very high94.7Very high1 Ų116.5 Ų16.51%0.0068%0.082CC..Hα-helixtrans-68.3-48.2176.3177.30000110.9S339 V340 V341 F345 S346 F804 A805 I807 C821 I823 F852S339-V343 WeakPolarHBondContact O-CG2 3.33Å; S339-V343 PolarHBondContact O-N 2.82Å; V340-V343 PolarHBondContact O-N 3.06Å; V341-V343 VanDerWaalsContact C-N 3.32Å; V341-V343 PolarHBondContact O-N 3.41Å; V343-F345 PolarHBondContact O-N 3.45Å; V343-S346 WeakPolarHBondContact O-CA 3.38Å; V343-S346 WeakPolarHBondContact O-CB 3.21Å; V343-S346 PolarHBondContact O-N 3.17Å; V343-F804 HydrophobicContact CG1-CE1 4.33Å; V343-A805 HydrophobicContact CG1-CB 4.11Å; V343-A805 HydrophobicContact CG2-CB 4.12Å; V343-I807 HydrophobicContact CG2-CD1 4.32Å; V343-I807 HydrophobicContact CG2-CG1 4.11Å; V343-C821 HydrophobicContact CG2-CB 4.1Å; V343-I823 HydrophobicContact CG2-CD1 4.08Å; V343-I823 HydrophobicContact CG2-CG1 4.25Å; V343-F852 HydrophobicContact CB-CE2 4.42Å; V343-F852 HydrophobicContact CG1-CD1 3.84Å; V343-F852 HydrophobicContact CG1-CD2 3.73Å; V343-F852 HydrophobicContact CG1-CE1 3.91Å; V343-F852 HydrophobicContact CG1-CE2 3.8Å; V343-F852 HydrophobicContact CG1-CG 3.75Å; V343-F852 HydrophobicContact CG1-CZ 3.89Å; V343-F852 HydrophobicContact CG2-CE2 4.35Å
344L98.3Very high95.9Very high5 Ų514 Ų143%0.0267%0.068CC..Hα-helixtrans-57-47.1-179.1-72.5177.6000112.3V340 V341 S346 I347 F350 F440 L443 I444 F461V340-L344 HydrophobicContact CG1-CD1 3.97Å; V340-L344 HydrophobicContact CG1-CG 4.33Å; V340-L344 WeakPolarHBondContact O-CG 3.41Å; V340-L344 PolarHBondContact O-N 2.76Å; V341-L344 PolarHBondContact O-N 2.73Å; L344-S346 PolarHBondContact O-N 3.45Å; L344-I347 WeakPolarHBondContact O-CB 3.26Å; L344-I347 PolarHBondContact O-N 2.94Å; L344-F350 HydrophobicContact CB-CD1 4.42Å; L344-F350 HydrophobicContact CD1-CE1 4.5Å; L344-F350 HydrophobicContact CD2-CD2 4.41Å; L344-F350 HydrophobicContact CD2-CE1 4.06Å; L344-F350 HydrophobicContact CD2-CE2 3.99Å; L344-F350 HydrophobicContact CD2-CZ 3.8Å; L344-F350 WeakPolarHBondContact O-CB 3.2Å; L344-F440 HydrophobicContact CD2-CD2 4.49Å; L344-F440 HydrophobicContact CD2-CE2 3.98Å; L344-L443 HydrophobicContact CD1-CD2 3.42Å; L344-L443 VanDerWaalsContact CD1-CD2 3.42Å; L344-L443 HydrophobicContact CD1-CG 4.24Å; L344-I444 HydrophobicContact CD2-CD1 4.41Å; L344-F461 HydrophobicContact CD2-CE2 3.74Å; L344-F461 HydrophobicContact CD2-CZ 3.81Å
345F98.4Very high96.7Very high8 Ų815.2 Ų15.24%0.0358%0.076CC..THydrogen-bonded Turntrans-77.1-0.2178.3-74.3-67.6000114.3V341 V343 Q351 V355 V377 L380 G381 L384V341-F345 WeakPolarHBondContact O-CD2 3.13Å; V341-F345 PolarHBondContact O-N 2.91Å; V343-F345 PolarHBondContact O-N 3.45Å; F345-Q351 WeakPolarHBondContact O-CG 3.38Å; F345-Q351 PolarHBondContact O-NE2 2.8Å; F345-V355 HydrophobicContact CD1-CG2 4.18Å; F345-V355 HydrophobicContact CE1-CG2 4.16Å; F345-V377 HydrophobicContact CE1-CG1 4.41Å; F345-V377 HydrophobicContact CZ-CG1 3.7Å; F345-V377 WeakPolarHBondContact CZ-O 3.37Å; F345-L380 HydrophobicContact CD2-CG 4.44Å; F345-L380 HydrophobicContact CE2-CB 4.22Å; F345-L380 HydrophobicContact CE2-CD2 3.89Å; F345-L380 HydrophobicContact CE2-CG 3.83Å; F345-G381 VanDerWaalsContact CZ-CA 3.48Å; F345-L384 HydrophobicContact CB-CD1 4.09Å; F345-L384 HydrophobicContact CD2-CD1 3.7Å; F345-L384 HydrophobicContact CG-CD1 4.19Å
346S98.3Very high97.4Very high13 Ų1320.5 Ų20.59%0.09110%0.104CC..THydrogen-bonded Turntrans-89.3-6.8166.6-58.30000112.3Q342 V343 L344 F804 I823 K825Q342-S346 PolarHBondContact O-N 3.46Å; Q342-S346 PolarHBondContact O-OG 2.87Å; V343-S346 WeakPolarHBondContact O-CA 3.38Å; V343-S346 WeakPolarHBondContact O-CB 3.21Å; V343-S346 PolarHBondContact O-N 3.17Å; L344-S346 PolarHBondContact O-N 3.45Å; S346-F804 WeakPolarHBondContact O-CZ 3.47Å; S346-I823 WeakPolarHBondContact OG-CD1 3.36Å; S346-K825 WeakPolarHBondContact OG-CE 3.24Å; S346-K825 PolarHBondContact OG-NZ 3.12Å
347I98.3Very high97.7Very high0 Ų024.6 Ų24.60%012%0.121CC..SBendtrans-95.1127179-63.8168.8000110.2L344 D349 F350 Q351 V460 F461 Y568 F804L344-I347 WeakPolarHBondContact O-CB 3.26Å; L344-I347 PolarHBondContact O-N 2.94Å; I347-D349 VanDerWaalsContact C-N 3.31Å; I347-D349 PolarHBondContact O-N 3.04Å; I347-F350 HydrophobicContact CB-CD2 4.33Å; I347-F350 HydrophobicContact CG2-CD2 4.24Å; I347-F350 PolarHBondContact O-N 3.35Å; I347-Q351 WeakPolarHBondContact O-CG 3.44Å; I347-Q351 PolarHBondContact O-N 3.48Å; I347-V460 HydrophobicContact CG2-CG1 4.31Å; I347-V460 HydrophobicContact CG2-CG2 4.07Å; I347-F461 HydrophobicContact CD1-CE1 3.58Å; I347-F461 HydrophobicContact CD1-CE2 4.48Å; I347-F461 HydrophobicContact CD1-CZ 3.31Å; I347-Y568 HydrophobicContact CD1-CD1 4.1Å; I347-Y568 HydrophobicContact CD1-CE1 4.37Å; I347-Y568 HydrophobicContact CD1-CG 4.43Å; I347-Y568 HydrophobicContact CG1-CD1 4.1Å; I347-Y568 HydrophobicContact CG1-CE1 3.87Å; I347-Y568 HydrophobicContact CG2-CD2 4.28Å; I347-Y568 HydrophobicContact CG2-CE2 3.99Å; I347-F804 HydrophobicContact CG1-CE1 3.94Å; I347-F804 HydrophobicContact CG1-CZ 4.22Å
348P97.8Very high97.7Very high54 Ų5425.1 Ų25.135%0.35112%0.124SC..Hα-helixtrans-57-35.5-173.1-28.835.8000115.5F350 Q351 R352P348-F350 VanDerWaalsContact C-N 3.34Å; P348-F350 PolarHBondContact O-N 3.31Å; P348-Q351 WeakPolarHBondContact O-CB 3.38Å; P348-Q351 PolarHBondContact O-N 2.94Å; P348-R352 WeakPolarHBondContact O-CB 3.49Å; P348-R352 WeakPolarHBondContact O-CG 3.49Å; P348-R352 PolarHBondContact O-N 2.96Å
349D97.6Very high97.7Very high10 Ų1029.2 Ų29.25%0.05314%0.143CC..Hα-helixtrans-64.3-38.9-178.6-70-111.9000112.2I347 R352 K353 P457 V460 R795I347-D349 VanDerWaalsContact C-N 3.31Å; I347-D349 PolarHBondContact O-N 3.04Å; D349-R352 IonicContact OD1-CZ 3.97Å; D349-R352 IonicContact OD1-NH2 3.13Å; D349-R352 PolarHBondContact OD1-NH2 3.25Å; D349-R352 IonicContact OD2-CZ 2.96Å; D349-R352 IonicContact OD2-NH2 2.78Å; D349-R352 PolarHBondContact OD2-NH2 3.1Å; D349-K353 VanDerWaalsContact O-CB 3.29Å; D349-K353 WeakPolarHBondContact O-CB 3.28Å; D349-K353 PolarHBondContact O-N 3.36Å; D349-P457 HydrophobicContact CB-CB 4.14Å; D349-V460 HydrophobicContact CB-CB 4.4Å; D349-R795 IonicContact OD1-CZ 3.16Å; D349-R795 IonicContact OD1-NH1 3.21Å; D349-R795 PolarHBondContact OD1-NH1 2.71Å; D349-R795 IonicContact OD1-NH2 2.74Å; D349-R795 PolarHBondContact OD1-NH2 3.03Å
350F98.2Very high97.6Very high4 Ų435.4 Ų35.42%0.01817%0.17CC..Hα-helixtrans-69.6-37.9174.6-78.9-96.4000111.6L344 I347 P348 K353 Y354 I444 V447 P457 V460 F461L344-F350 HydrophobicContact CB-CD1 4.42Å; L344-F350 HydrophobicContact CD1-CE1 4.5Å; L344-F350 HydrophobicContact CD2-CD2 4.41Å; L344-F350 HydrophobicContact CD2-CE1 4.06Å; L344-F350 HydrophobicContact CD2-CE2 3.99Å; L344-F350 HydrophobicContact CD2-CZ 3.8Å; L344-F350 WeakPolarHBondContact O-CB 3.2Å; I347-F350 HydrophobicContact CB-CD2 4.33Å; I347-F350 HydrophobicContact CG2-CD2 4.24Å; I347-F350 PolarHBondContact O-N 3.35Å; P348-F350 VanDerWaalsContact C-N 3.34Å; P348-F350 PolarHBondContact O-N 3.31Å; F350-K353 PolarHBondContact O-N 3.45Å; F350-Y354 HydrophobicContact CD1-CD2 4.23Å; F350-Y354 HydrophobicContact CD1-CE2 4.08Å; F350-Y354 HydrophobicContact CE1-CE2 4.47Å; F350-Y354 PolarHBondContact O-N 3.35Å; F350-I444 HydrophobicContact CZ-CD1 4.08Å; F350-V447 HydrophobicContact CE1-CG2 4.3Å; F350-P457 HydrophobicContact CD1-CB 4.27Å; F350-P457 HydrophobicContact CD1-CG 4.14Å; F350-P457 HydrophobicContact CD2-CB 3.91Å; F350-P457 HydrophobicContact CE1-CB 4.26Å; F350-P457 HydrophobicContact CE1-CG 3.94Å; F350-P457 HydrophobicContact CE2-CB 3.87Å; F350-P457 HydrophobicContact CE2-CG 4.39Å; F350-P457 HydrophobicContact CG-CB 4.09Å; F350-P457 HydrophobicContact CG-CG 4.45Å; F350-P457 HydrophobicContact CZ-CB 4.05Å; F350-P457 HydrophobicContact CZ-CG 4.06Å; F350-V460 HydrophobicContact CE2-CG1 4.06Å; F350-F461 HydrophobicContact CE2-CD2 4.25Å; F350-F461 AromaticContact CE2-CE2 3.45Å; F350-F461 HydrophobicContact CE2-CE2 3.45Å; F350-F461 VanDerWaalsContact CE2-CE2 3.45Å; F350-F461 HydrophobicContact CE2-CZ 4.11Å; F350-F461 AromaticContact CZ-CE2 3.81Å; F350-F461 HydrophobicContact CZ-CE2 3.81Å
351Q98Very high97.5Very high56 Ų5636.4 Ų36.426%0.26218%0.175SC..Hα-helixtrans-62-50.3173.9-58.9176.83.600110.9F345 I347 P348 K353 Y354 V355 D356 L385F345-Q351 WeakPolarHBondContact O-CG 3.38Å; F345-Q351 PolarHBondContact O-NE2 2.8Å; I347-Q351 WeakPolarHBondContact O-CG 3.44Å; I347-Q351 PolarHBondContact O-N 3.48Å; P348-Q351 WeakPolarHBondContact O-CB 3.38Å; P348-Q351 PolarHBondContact O-N 2.94Å; Q351-K353 VanDerWaalsContact C-N 3.33Å; Q351-K353 PolarHBondContact O-N 2.87Å; Q351-Y354 PolarHBondContact O-N 3.1Å; Q351-V355 WeakPolarHBondContact O-CA 3.23Å; Q351-V355 VanDerWaalsContact O-CB 3.25Å; Q351-V355 WeakPolarHBondContact O-CB 3.23Å; Q351-V355 PolarHBondContact O-N 3.23Å; Q351-D356 PolarHBondContact O-N 2.82Å; Q351-L385 HydrophobicContact CB-CD1 4.39Å; Q351-L385 HydrophobicContact CG-CD1 3.72Å
352R97.8Very high97.4Very high101 Ų10136.5 Ų36.538%0.38118%0.175SC..Hα-helixtrans-60.6-40.3178.3-74.1-177.1-71.6140.7-9.8112.8P348 D349 D356 K357P348-R352 WeakPolarHBondContact O-CB 3.49Å; P348-R352 WeakPolarHBondContact O-CG 3.49Å; P348-R352 PolarHBondContact O-N 2.96Å; D349-R352 IonicContact OD1-CZ 3.97Å; D349-R352 IonicContact OD1-NH2 3.13Å; D349-R352 PolarHBondContact OD1-NH2 3.25Å; D349-R352 IonicContact OD2-CZ 2.96Å; D349-R352 IonicContact OD2-NH2 2.78Å; D349-R352 PolarHBondContact OD2-NH2 3.1Å; R352-D356 WeakPolarHBondContact CA-OD2 3.45Å; R352-D356 WeakPolarHBondContact CG-OD2 3.49Å; R352-K357 WeakPolarHBondContact O-CG 3.18Å
353K97.2Very high97.2Very high21 Ų2141.9 Ų41.99%0.09120%0.2CC..Hα-helixtrans-69.5-48-179.7174.262.7-179.8-160.20112.5D349 F350 Q351 S454 E455 P457D349-K353 VanDerWaalsContact O-CB 3.29Å; D349-K353 WeakPolarHBondContact O-CB 3.28Å; D349-K353 PolarHBondContact O-N 3.36Å; F350-K353 PolarHBondContact O-N 3.45Å; Q351-K353 VanDerWaalsContact C-N 3.33Å; Q351-K353 PolarHBondContact O-N 2.87Å; K353-S454 PolarHBondContact NZ-OG 2.87Å; K353-E455 HydrophobicContact CD-CB 4.35Å; K353-E455 HydrophobicContact CD-CG 4.49Å; K353-E455 WeakPolarHBondContact CD-O 3.28Å; K353-E455 WeakPolarHBondContact CE-O 3.44Å; K353-E455 PolarHBondContact NZ-O 3.33Å; K353-P457 HydrophobicContact CB-CB 4.31Å; K353-P457 HydrophobicContact CB-CG 4.19Å; K353-P457 HydrophobicContact CG-CG 4.05Å
354Y97.9Very high97Very high0 Ų047.6 Ų47.60%023%0.231CC..Hα-helixtrans-108.9-25.5-165.7-66.8-67.2000114.4F350 Q351 I361 V377 A378 P457F350-Y354 HydrophobicContact CD1-CD2 4.23Å; F350-Y354 HydrophobicContact CD1-CE2 4.08Å; F350-Y354 HydrophobicContact CE1-CE2 4.47Å; F350-Y354 PolarHBondContact O-N 3.35Å; Q351-Y354 PolarHBondContact O-N 3.1Å; Y354-I361 HydrophobicContact CD1-CD1 4.14Å; Y354-V377 HydrophobicContact CD1-CB 3.97Å; Y354-V377 HydrophobicContact CD1-CG1 3.62Å; Y354-V377 HydrophobicContact CD2-CG1 3.52Å; Y354-V377 HydrophobicContact CE1-CB 4.14Å; Y354-V377 HydrophobicContact CE1-CG1 3.88Å; Y354-V377 HydrophobicContact CE2-CG1 3.77Å; Y354-V377 HydrophobicContact CG-CB 4.27Å; Y354-V377 HydrophobicContact CG-CG1 3.44Å; Y354-V377 VanDerWaalsContact CG-CG1 3.44Å; Y354-A378 WeakPolarHBondContact O-CA 3.48Å; Y354-A378 WeakPolarHBondContact O-CB 3.31Å; Y354-P457 HydrophobicContact CE2-CG 3.93Å
355V97.4Very high96.8Very high25 Ų2547.7 Ų47.715%0.15223%0.232CC..THydrogen-bonded Turntrans-102.7-52.5-173.8-177.50000110.1F345 Q351 K357 L358 L385F345-V355 HydrophobicContact CD1-CG2 4.18Å; F345-V355 HydrophobicContact CE1-CG2 4.16Å; Q351-V355 WeakPolarHBondContact O-CA 3.23Å; Q351-V355 VanDerWaalsContact O-CB 3.25Å; Q351-V355 WeakPolarHBondContact O-CB 3.23Å; Q351-V355 PolarHBondContact O-N 3.23Å; V355-K357 PolarHBondContact O-N 3.44Å; V355-L358 WeakPolarHBondContact O-CB 3.43Å; V355-L358 PolarHBondContact O-N 3.24Å; V355-L358 VanDerWaalsContact O-N 3.1Å; V355-L385 HydrophobicContact CB-CD1 4.33Å; V355-L385 HydrophobicContact CG1-CD1 4.16Å; V355-L385 HydrophobicContact CG2-CD1 3.75Å
356D97.3Very high96.6Very high116 Ų11650.4 Ų50.462%0.6225%0.251SS*.THydrogen-bonded Turntrans-64.4-28179.2-63.2-6.1000112Q351 R352Q351-D356 PolarHBondContact O-N 2.82Å; R352-D356 WeakPolarHBondContact CA-OD2 3.45Å; R352-D356 WeakPolarHBondContact CG-OD2 3.49Å
357K96.4Very high96.2Very high88 Ų8854.2 Ų54.238%0.38327%0.273SS..THydrogen-bonded Turntrans-100.813179-65.5175.7-176.5174.60113.5R352 V355 E359 K360 I361 E455R352-K357 WeakPolarHBondContact O-CG 3.18Å; V355-K357 PolarHBondContact O-N 3.44Å; K357-E359 PolarHBondContact O-N 2.63Å; K357-K360 PolarHBondContact O-N 3.48Å; K357-I361 WeakPolarHBondContact O-CG1 3.47Å; K357-I361 PolarHBondContact O-N 2.76Å; K357-E455 IonicContact NZ-OE1 2.71Å; K357-E455 IonicContact NZ-OE2 3.19Å; K357-E455 PolarHBondContact NZ-OE2 2.94Å
358L95.9Very high96Very high12 Ų1256.2 Ų56.26%0.06328%0.284CS..Hα-helixtrans-50.3-43.2-178.2174.8149.5000112.6V355 K360 I361 F362 H382V355-L358 WeakPolarHBondContact O-CB 3.43Å; V355-L358 PolarHBondContact O-N 3.24Å; V355-L358 VanDerWaalsContact O-N 3.1Å; L358-K360 PolarHBondContact O-N 2.73Å; L358-I361 WeakPolarHBondContact O-CB 3.39Å; L358-I361 PolarHBondContact O-N 2.72Å; L358-F362 HydrophobicContact CD1-CE1 4.49Å; L358-F362 HydrophobicContact CD1-CE2 4.04Å; L358-F362 HydrophobicContact CD1-CZ 3.81Å; L358-F362 HydrophobicContact CD2-CD2 3.58Å; L358-F362 HydrophobicContact CD2-CE2 3.38Å; L358-F362 HydrophobicContact CD2-CG 4.29Å; L358-F362 HydrophobicContact CD2-CZ 3.92Å; L358-F362 HydrophobicContact CG-CD1 4.46Å; L358-F362 HydrophobicContact CG-CD2 4.1Å; L358-F362 HydrophobicContact CG-CE1 4.05Å; L358-F362 HydrophobicContact CG-CE2 3.68Å; L358-F362 HydrophobicContact CG-CG 4.48Å; L358-F362 HydrophobicContact CG-CZ 3.65Å; L358-F362 WeakPolarHBondContact O-CG 3.39Å; L358-F362 PolarHBondContact O-N 3.27Å; L358-H382 HydrophobicContact CD1-CB 3.48Å; L358-H382 VanDerWaalsContact CD1-CB 3.48Å
359E95.4Very high95.9Very high89 Ų8953.7 Ų53.742%0.41627%0.268SS..Hα-helixtrans-59.6-45.3178.5-75.3-58.6142.500113R60 K357 I361 F362 Q363R60-E359 IonicContact CZ-OE1 2.67Å; R60-E359 IonicContact CZ-OE2 2.76Å; R60-E359 IonicContact NH1-OE1 3.52Å; R60-E359 IonicContact NH1-OE2 2.77Å; R60-E359 PolarHBondContact NH1-OE2 2.9Å; R60-E359 IonicContact NH2-OE1 3.56Å; R60-E359 PolarHBondContact NH2-OE1 2.94Å; R60-E359 IonicContact NH2-OE2 3.93Å; R60-E359 PolarHBondContact NH2-OE2 3.27Å; K357-E359 PolarHBondContact O-N 2.63Å; E359-I361 VanDerWaalsContact C-N 3.33Å; E359-F362 PolarHBondContact O-N 2.98Å; E359-Q363 WeakPolarHBondContact O-CB 3.44Å; E359-Q363 WeakPolarHBondContact O-CG 2.98Å; E359-Q363 PolarHBondContact O-N 3.01Å
360K95.5Very high95.7Very high134 Ų13453.3 Ų53.358%0.58327%0.266SS*.Hα-helixtrans-66.9-37.7177.9-174.4176.9179.7178.90111.2K357 L358 Q363 N364K357-K360 PolarHBondContact O-N 3.48Å; L358-K360 PolarHBondContact O-N 2.73Å; K360-Q363 PolarHBondContact O-N 2.83Å; K360-N364 PolarHBondContact O-N 2.97Å; K360-N364 VanDerWaalsContact O-N 3.1Å
361I96.2Very high95.4Very high22 Ų2255.6 Ų55.611%0.11328%0.277CS..Hα-helixtrans-62.9-50176.7-66.7168.7000109.9Y354 K357 L358 E359 Q363 N364 A365 A378Y354-I361 HydrophobicContact CD1-CD1 4.14Å; K357-I361 WeakPolarHBondContact O-CG1 3.47Å; K357-I361 PolarHBondContact O-N 2.76Å; L358-I361 WeakPolarHBondContact O-CB 3.39Å; L358-I361 PolarHBondContact O-N 2.72Å; E359-I361 VanDerWaalsContact C-N 3.33Å; I361-Q363 VanDerWaalsContact C-N 3.31Å; I361-Q363 PolarHBondContact O-N 3.44Å; I361-N364 CarbonylContact O-C 3.57Å; I361-N364 PolarHBondContact O-N 3.44Å; I361-N364 VanDerWaalsContact O-N 3.1Å; I361-A365 PolarHBondContact O-N 3.3Å; I361-A378 HydrophobicContact CD1-CB 3.92Å; I361-A378 HydrophobicContact CG2-CB 4.19Å
362F96Very high95.3Very high2 Ų254.6 Ų54.61%0.00927%0.273CS..Hα-helixtrans-66-33.3-179.2-69.1-0.7000112.8F32 Y57 K64 L358 E359 A365 T375 A378F32-F362 HydrophobicContact CB-CD2 4.31Å; F32-F362 HydrophobicContact CB-CE2 3.84Å; F32-F362 HydrophobicContact CB-CZ 4.07Å; F32-F362 HydrophobicContact CD1-CB 4.22Å; F32-F362 AromaticContact CD1-CD1 3.66Å; F32-F362 HydrophobicContact CD1-CD1 3.66Å; F32-F362 AromaticContact CD1-CD2 3.81Å; F32-F362 HydrophobicContact CD1-CD2 3.81Å; F32-F362 AromaticContact CD1-CE1 3.88Å; F32-F362 HydrophobicContact CD1-CE1 3.88Å; F32-F362 AromaticContact CD1-CE2 3.99Å; F32-F362 HydrophobicContact CD1-CE2 3.99Å; F32-F362 AromaticContact CD1-CG 3.63Å; F32-F362 HydrophobicContact CD1-CG 3.63Å; F32-F362 HydrophobicContact CD1-CZ 4.03Å; F32-F362 HydrophobicContact CE1-CB 4.08Å; F32-F362 HydrophobicContact CE1-CD1 4.06Å; F32-F362 HydrophobicContact CE1-CD2 4.49Å; F32-F362 AromaticContact CE1-CG 3.97Å; F32-F362 HydrophobicContact CE1-CG 3.97Å; F32-F362 HydrophobicContact CG-CD2 4.3Å; F32-F362 HydrophobicContact CG-CE2 4.29Å; F32-F362 VanDerWaalsContact O-CZ 3.31Å; F32-F362 WeakPolarHBondContact O-CZ 3.5Å; Y57-F362 HydrophobicContact CD1-CD2 4.46Å; Y57-F362 HydrophobicContact CD1-CE2 4.4Å; Y57-F362 HydrophobicContact CE1-CD2 4.1Å; Y57-F362 AromaticContact CE1-CE2 3.76Å; Y57-F362 HydrophobicContact CE1-CE2 3.76Å; K64-F362 PolarHBondContact NZ-O 3.39Å; L358-F362 HydrophobicContact CD1-CE1 4.49Å; L358-F362 HydrophobicContact CD1-CE2 4.04Å; L358-F362 HydrophobicContact CD1-CZ 3.81Å; L358-F362 HydrophobicContact CD2-CD2 3.58Å; L358-F362 HydrophobicContact CD2-CE2 3.38Å; L358-F362 HydrophobicContact CD2-CG 4.29Å; L358-F362 HydrophobicContact CD2-CZ 3.92Å; L358-F362 HydrophobicContact CG-CD1 4.46Å; L358-F362 HydrophobicContact CG-CD2 4.1Å; L358-F362 HydrophobicContact CG-CE1 4.05Å; L358-F362 HydrophobicContact CG-CE2 3.68Å; L358-F362 HydrophobicContact CG-CG 4.48Å; L358-F362 HydrophobicContact CG-CZ 3.65Å; L358-F362 WeakPolarHBondContact O-CG 3.39Å; L358-F362 PolarHBondContact O-N 3.27Å; E359-F362 PolarHBondContact O-N 2.98Å; F362-A365 WeakPolarHBondContact O-CB 3.23Å; F362-A365 PolarHBondContact O-N 2.89Å; F362-T375 HydrophobicContact CD1-CG2 4.01Å; F362-T375 HydrophobicContact CE1-CG2 3.79Å; F362-A378 HydrophobicContact CE1-CB 4.12Å
363Q94.3Very high95.2Very high118 Ų11850.2 Ų50.255%0.55126%0.257SS*.Hα-helixtrans-62.8-41.7172.1-74.4171.321.300111.8K64 E359 K360 I361K64-Q363 WeakPolarHBondContact CE-O 3.16Å; K64-Q363 PolarHBondContact NZ-O 2.84Å; E359-Q363 WeakPolarHBondContact O-CB 3.44Å; E359-Q363 WeakPolarHBondContact O-CG 2.98Å; E359-Q363 PolarHBondContact O-N 3.01Å; K360-Q363 PolarHBondContact O-N 2.83Å; I361-Q363 VanDerWaalsContact C-N 3.31Å; I361-Q363 PolarHBondContact O-N 3.44Å
364N93.8Very high95.2Very high122 Ų12250.5 Ų50.565%0.65226%0.261SS*.Hα-helixtrans-84.3-8.1-179-68.9-12.1000114.5K360 I361K360-N364 PolarHBondContact O-N 2.97Å; K360-N364 VanDerWaalsContact O-N 3.1Å; I361-N364 CarbonylContact O-C 3.57Å; I361-N364 PolarHBondContact O-N 3.44Å; I361-N364 VanDerWaalsContact O-N 3.1Å
365A94.6Very high95.2Very high6 Ų650.5 Ų50.55%0.0526%0.261CS..  trans-57.3145.6-178.600000112.7F32 K64 I361 F362 P369 T375F32-A365 HydrophobicContact CE1-CB 4.22Å; K64-A365 PolarHBondContact NZ-O 3.18Å; I361-A365 PolarHBondContact O-N 3.3Å; F362-A365 WeakPolarHBondContact O-CB 3.23Å; F362-A365 PolarHBondContact O-N 2.89Å; A365-P369 HydrophobicContact CB-CB 4.3Å; A365-T375 WeakPolarHBondContact CB-OG1 3.33Å
366P94.1Very high95.2Very high66 Ų6649.4 Ų49.443%0.42925%0.254SS..  trans-67.5179173.730.8-36000112D368 D372P366-D368 PolarHBondContact O-N 2.74Å; P366-D372 HydrophobicContact CG-CB 3.84Å
367T91.4Very high95.3Very high92 Ų9244.2 Ų44.256%0.56423%0.227SC*.SBendtrans-59.7-33.4178.4-51.30000113.2L51 T65 P369L51-T367 VanDerWaalsContact CD1-O 3.28Å; L51-T367 WeakPolarHBondContact CD1-O 3.49Å; T65-T367 HydrophobicContact CG2-CG2 4.26Å; T367-P369 WeakPolarHBondContact O-CD 3.45Å
368D93.6Very high95.3Very high42 Ų4240 Ų4023%0.22521%0.209CC..  trans-107.994172-177.3-4.5000109.9R24 L51 P366 T370 Q371R24-D368 IonicContact NH2-OD2 2.71Å; L51-D368 HydrophobicContact CD1-CB 4.35Å; P366-D368 PolarHBondContact O-N 2.74Å; D368-T370 PolarHBondContact O-N 3.43Å; D368-T370 VanDerWaalsContact OD1-CB 3.3Å; D368-T370 WeakPolarHBondContact OD1-CB 3.44Å; D368-T370 WeakPolarHBondContact OD1-CG2 3.42Å; D368-T370 PolarHBondContact OD1-N 2.97Å; D368-T370 PolarHBondContact OD1-OG1 2.92Å; D368-Q371 PolarHBondContact O-N 3.34Å; D368-Q371 WeakPolarHBondContact OD2-CG 3.47Å
369P95.3Very high95.4Very high2 Ų239.6 Ų39.61%0.01321%0.207CC..G310 helixtrans-74.2-11.3-178.5-10.327.3000113A31 F32 A365 T367 Q371 D372 T375 Q376A31-P369 HydrophobicContact CB-CB 4.37Å; A31-P369 HydrophobicContact CB-CG 4.31Å; F32-P369 HydrophobicContact CD1-CB 4.3Å; F32-P369 HydrophobicContact CE1-CB 3.65Å; F32-P369 HydrophobicContact CE1-CG 3.75Å; F32-P369 HydrophobicContact CE2-CG 3.9Å; F32-P369 HydrophobicContact CZ-CB 3.81Å; F32-P369 HydrophobicContact CZ-CG 3.33Å; A365-P369 HydrophobicContact CB-CB 4.3Å; T367-P369 WeakPolarHBondContact O-CD 3.45Å; P369-Q371 PolarHBondContact O-N 3.37Å; P369-D372 PolarHBondContact O-N 3.25Å; P369-T375 HydrophobicContact CB-CG2 3.8Å; P369-Q376 PolarHBondContact O-NE2 3.28Å
370T92.9Very high95.6Very high2 Ų235.4 Ų35.41%0.01219%0.187CC..G310 helixtrans-71-21.8178.378.80000111.8A31 L51 D368 M416A31-T370 HydrophobicContact CB-CG2 3.89Å; L51-T370 HydrophobicContact CD2-CG2 3.93Å; D368-T370 PolarHBondContact O-N 3.43Å; D368-T370 VanDerWaalsContact OD1-CB 3.3Å; D368-T370 WeakPolarHBondContact OD1-CB 3.44Å; D368-T370 WeakPolarHBondContact OD1-CG2 3.42Å; D368-T370 PolarHBondContact OD1-N 2.97Å; D368-T370 PolarHBondContact OD1-OG1 2.92Å; T370-M416 VanDerWaalsContact CB-SD 3.57Å; T370-M416 HydrophobicContact CG2-CE 3.96Å; T370-M416 HydrophobicContact CG2-SD 3.57Å; T370-M416 VanDerWaalsContact CG2-SD 3.57Å
371Q92.7Very high95.7Very high52 Ų5229 Ų2924%0.24316%0.159CC..G310 helixtrans-101.44.4177.8-57.4-60.8-74.500112.7D368 P369D368-Q371 PolarHBondContact O-N 3.34Å; D368-Q371 WeakPolarHBondContact OD2-CG 3.47Å; P369-Q371 PolarHBondContact O-N 3.37Å
372D95.7Very high95.7Very high34 Ų3430.4 Ų30.418%0.18217%0.165CC..  trans-96.7121.4-179.8178.153.8000111.6P366 P369 S374 T375 Q376 L420P366-D372 HydrophobicContact CG-CB 3.84Å; P369-D372 PolarHBondContact O-N 3.25Å; D372-S374 PolarHBondContact O-N 3.03Å; D372-T375 PolarHBondContact O-N 3.47Å; D372-T375 WeakPolarHBondContact OD2-CB 3.49Å; D372-T375 PolarHBondContact OD2-N 3.14Å; D372-T375 PolarHBondContact OD2-OG1 3.35Å; D372-Q376 WeakPolarHBondContact O-CG 3.24Å; D372-Q376 PolarHBondContact O-N 3.01Å; D372-L420 WeakPolarHBondContact O-CD2 3.49Å
373F96.2Very high95.7Very high10 Ų1030.3 Ų30.34%0.04416%0.164CC..Hα-helixtrans-60.2-50.4-176.4175.8-100.7000111.8T375 Q376 V377 I421 L443 M446 V447 N450F373-T375 VanDerWaalsContact C-N 3.32Å; F373-T375 PolarHBondContact O-N 2.98Å; F373-Q376 PolarHBondContact O-N 3.24Å; F373-V377 HydrophobicContact CD1-CG2 4.26Å; F373-V377 HydrophobicContact CD2-CG2 4.09Å; F373-V377 HydrophobicContact CE1-CG2 3.94Å; F373-V377 HydrophobicContact CE2-CG2 3.76Å; F373-V377 HydrophobicContact CG-CG2 4.34Å; F373-V377 HydrophobicContact CZ-CG2 3.68Å; F373-V377 WeakPolarHBondContact O-CG2 3.24Å; F373-V377 PolarHBondContact O-N 2.97Å; F373-I421 HydrophobicContact CD2-CG2 4.37Å; F373-I421 HydrophobicContact CE2-CG2 4.23Å; F373-L443 HydrophobicContact CE2-CD1 4.18Å; F373-L443 HydrophobicContact CZ-CD1 4.4Å; F373-M446 HydrophobicContact CD2-CE 3.77Å; F373-M446 HydrophobicContact CE2-CB 3.76Å; F373-M446 HydrophobicContact CE2-CE 3.96Å; F373-M446 HydrophobicContact CE2-SD 4.34Å; F373-M446 HydrophobicContact CZ-CB 4.01Å; F373-V447 HydrophobicContact CE1-CG2 4.13Å; F373-V447 HydrophobicContact CZ-CG2 3.74Å; F373-N450 WeakPolarHBondContact CB-ND2 3.48Å; F373-N450 HydrophobicContact CD1-CB 3.6Å; F373-N450 HydrophobicContact CE1-CB 3.94Å; F373-N450 HydrophobicContact CG-CB 4.48Å
374S96.9Very high95.8Very high27 Ų2724.8 Ų24.819%0.18914%0.139CC..Hα-helixtrans-63.1-40-177.3-64.30000111.7D372 A378D372-S374 PolarHBondContact O-N 3.03Å; S374-A378 WeakPolarHBondContact O-CB 3.15Å; S374-A378 PolarHBondContact O-N 3.44Å
375T97.6Very high96Very high0 Ų020.7 Ų20.70%012%0.117CC..Hα-helixtrans-61.6-48.5176-62.70000111.9F32 F362 A365 P369 D372 F373 A378 K379F32-T375 HydrophobicContact CD1-CG2 3.74Å; F32-T375 HydrophobicContact CE1-CG2 3.97Å; F362-T375 HydrophobicContact CD1-CG2 4.01Å; F362-T375 HydrophobicContact CE1-CG2 3.79Å; A365-T375 WeakPolarHBondContact CB-OG1 3.33Å; P369-T375 HydrophobicContact CB-CG2 3.8Å; D372-T375 PolarHBondContact O-N 3.47Å; D372-T375 WeakPolarHBondContact OD2-CB 3.49Å; D372-T375 PolarHBondContact OD2-N 3.14Å; D372-T375 PolarHBondContact OD2-OG1 3.35Å; F373-T375 VanDerWaalsContact C-N 3.32Å; F373-T375 PolarHBondContact O-N 2.98Å; T375-A378 PolarHBondContact O-N 3.23Å; T375-K379 VanDerWaalsContact O-CB 3.31Å; T375-K379 WeakPolarHBondContact O-CB 3.47Å; T375-K379 PolarHBondContact O-N 2.83Å
376Q98.1Very high95.9Very high1 Ų122.3 Ų22.31%0.00513%0.128CC..Hα-helixtrans-69.3-35.9-177.6-65-50-54.500112.7A31 P369 D372 F373 L380 M416 F417 L420A31-Q376 PolarHBondContact O-NE2 3.41Å; A31-Q376 VanDerWaalsContact O-NE2 3.09Å; P369-Q376 PolarHBondContact O-NE2 3.28Å; D372-Q376 WeakPolarHBondContact O-CG 3.24Å; D372-Q376 PolarHBondContact O-N 3.01Å; F373-Q376 PolarHBondContact O-N 3.24Å; Q376-L380 WeakPolarHBondContact O-CB 3.5Å; Q376-L380 PolarHBondContact O-N 3.2Å; Q376-M416 VanDerWaalsContact CD-SD 3.57Å; Q376-M416 HydrophobicContact CG-CG 4.45Å; Q376-M416 PolarHBondContact NE2-SD 3.4Å; Q376-M416 VanDerWaalsContact NE2-SD 3.41Å; Q376-M416 VanDerWaalsContact OE1-CG 3.22Å; Q376-M416 PolarHBondContact OE1-SD 3.11Å; Q376-F417 HydrophobicContact CB-CD2 4.23Å; Q376-L420 HydrophobicContact CB-CD2 3.97Å; Q376-L420 HydrophobicContact CG-CD2 3.63Å
377V98.1Very high95.6Very high7 Ų719.7 Ų19.74%0.04211%0.113CC..Hα-helixtrans-65.9-44.5173179.30000110.5F345 Y354 F373 L380 G381 F417F345-V377 HydrophobicContact CE1-CG1 4.41Å; F345-V377 HydrophobicContact CZ-CG1 3.7Å; F345-V377 WeakPolarHBondContact CZ-O 3.37Å; Y354-V377 HydrophobicContact CD1-CB 3.97Å; Y354-V377 HydrophobicContact CD1-CG1 3.62Å; Y354-V377 HydrophobicContact CD2-CG1 3.52Å; Y354-V377 HydrophobicContact CE1-CB 4.14Å; Y354-V377 HydrophobicContact CE1-CG1 3.88Å; Y354-V377 HydrophobicContact CE2-CG1 3.77Å; Y354-V377 HydrophobicContact CG-CB 4.27Å; Y354-V377 HydrophobicContact CG-CG1 3.44Å; Y354-V377 VanDerWaalsContact CG-CG1 3.44Å; F373-V377 HydrophobicContact CD1-CG2 4.26Å; F373-V377 HydrophobicContact CD2-CG2 4.09Å; F373-V377 HydrophobicContact CE1-CG2 3.94Å; F373-V377 HydrophobicContact CE2-CG2 3.76Å; F373-V377 HydrophobicContact CG-CG2 4.34Å; F373-V377 HydrophobicContact CZ-CG2 3.68Å; F373-V377 WeakPolarHBondContact O-CG2 3.24Å; F373-V377 PolarHBondContact O-N 2.97Å; V377-L380 PolarHBondContact O-N 3.48Å; V377-G381 PolarHBondContact O-N 3.49Å; V377-F417 HydrophobicContact CG2-CE2 3.87Å
378A98Very high95.4Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-62.2-44.917700000112.5Y354 I361 F362 S374 T375 L380 G381 H382Y354-A378 WeakPolarHBondContact O-CA 3.48Å; Y354-A378 WeakPolarHBondContact O-CB 3.31Å; I361-A378 HydrophobicContact CD1-CB 3.92Å; I361-A378 HydrophobicContact CG2-CB 4.19Å; F362-A378 HydrophobicContact CE1-CB 4.12Å; S374-A378 WeakPolarHBondContact O-CB 3.15Å; S374-A378 PolarHBondContact O-N 3.44Å; T375-A378 PolarHBondContact O-N 3.23Å; A378-L380 VanDerWaalsContact C-N 3.34Å; A378-L380 PolarHBondContact O-N 3.45Å; A378-G381 PolarHBondContact O-N 3.45Å; A378-H382 WeakPolarHBondContact O-CB 3.46Å; A378-H382 PolarHBondContact O-N 3.13Å
379K98.1Very high95.1Very high4 Ų418.7 Ų18.72%0.01710%0.099CC..Hα-helixtrans-56.3-47.7173.8169177.1164171.50111.3E29 C30 S33 F34 T375 H382 G383E29-K379 WeakPolarHBondContact OE1-CE 3.44Å; E29-K379 IonicContact OE1-NZ 3.63Å; E29-K379 PolarHBondContact OE1-NZ 2.94Å; C30-K379 PolarHBondContact O-NZ 3.25Å; S33-K379 VanDerWaalsContact C-CE 3.46Å; S33-K379 WeakPolarHBondContact O-CE 3.4Å; S33-K379 PolarHBondContact O-NZ 3.33Å; F34-K379 HydrophobicContact CD2-CG 4.41Å; F34-K379 HydrophobicContact CE2-CG 3.96Å; F34-K379 WeakPolarHBondContact CE2-O 3.27Å; F34-K379 HydrophobicContact CZ-CG 4.13Å; T375-K379 VanDerWaalsContact O-CB 3.31Å; T375-K379 WeakPolarHBondContact O-CB 3.47Å; T375-K379 PolarHBondContact O-N 2.83Å; K379-H382 PolarHBondContact O-N 3.17Å; K379-G383 PolarHBondContact O-N 3.04Å
380L97.9Very high94.8Very high0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-61.1-50.5178.3-179.660.6000111.6F34 V341 F345 Q376 V377 A378 H382 G383 L384 I412 P414 F417F34-L380 HydrophobicContact CZ-CD1 4.26Å; V341-L380 HydrophobicContact CB-CD2 3.97Å; V341-L380 HydrophobicContact CG1-CD2 3.9Å; V341-L380 HydrophobicContact CG2-CD2 4.2Å; F345-L380 HydrophobicContact CD2-CG 4.44Å; F345-L380 HydrophobicContact CE2-CB 4.22Å; F345-L380 HydrophobicContact CE2-CD2 3.89Å; F345-L380 HydrophobicContact CE2-CG 3.83Å; Q376-L380 WeakPolarHBondContact O-CB 3.5Å; Q376-L380 PolarHBondContact O-N 3.2Å; V377-L380 PolarHBondContact O-N 3.48Å; A378-L380 VanDerWaalsContact C-N 3.34Å; A378-L380 PolarHBondContact O-N 3.45Å; L380-H382 VanDerWaalsContact C-N 3.34Å; L380-H382 PolarHBondContact O-N 2.96Å; L380-G383 PolarHBondContact O-N 2.77Å; L380-L384 HydrophobicContact CD1-CD1 4.42Å; L380-L384 HydrophobicContact CG-CD1 4.39Å; L380-L384 WeakPolarHBondContact O-CG 3.41Å; L380-L384 PolarHBondContact O-N 2.85Å; L380-I412 HydrophobicContact CD1-CD1 3.74Å; L380-P414 HydrophobicContact CD1-CB 3.93Å; L380-F417 HydrophobicContact CD2-CD1 3.75Å; L380-F417 HydrophobicContact CD2-CD2 4.06Å; L380-F417 HydrophobicContact CD2-CE1 3.77Å; L380-F417 HydrophobicContact CD2-CE2 4.09Å; L380-F417 HydrophobicContact CD2-CG 3.9Å; L380-F417 HydrophobicContact CD2-CZ 3.94Å
381G97.4Very high94.3Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-60.3-42.8179.200000113F345 V377 A378 L384 L385F345-G381 VanDerWaalsContact CZ-CA 3.48Å; V377-G381 PolarHBondContact O-N 3.49Å; A378-G381 PolarHBondContact O-N 3.45Å; G381-L384 PolarHBondContact O-N 3.07Å; G381-L385 WeakPolarHBondContact O-CB 3.49Å; G381-L385 WeakPolarHBondContact O-CG 3.4Å; G381-L385 PolarHBondContact O-N 3.47Å
382H97.4Very high93.5Very high51 Ų5126 Ų2624%0.23614%0.139CC..Hα-helixtrans-64.3-41.6175.2-177.877.2000112.2L358 A378 K379 L380 L384 L385 S386L358-H382 HydrophobicContact CD1-CB 3.48Å; L358-H382 VanDerWaalsContact CD1-CB 3.48Å; A378-H382 WeakPolarHBondContact O-CB 3.46Å; A378-H382 PolarHBondContact O-N 3.13Å; K379-H382 PolarHBondContact O-N 3.17Å; L380-H382 VanDerWaalsContact C-N 3.34Å; L380-H382 PolarHBondContact O-N 2.96Å; H382-L384 VanDerWaalsContact C-N 3.25Å; H382-L384 PolarHBondContact O-N 2.81Å; H382-L385 PolarHBondContact O-N 3.19Å; H382-S386 WeakPolarHBondContact O-CB 3.4Å; H382-S386 PolarHBondContact O-N 2.93Å; H382-S386 PolarHBondContact O-OG 3.34Å
383G95.9Very high92Very high0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-58.7-37.7174.500000112.7T326 K379 L380T326-G383 PolarHBondContact OG1-O 3.12Å; K379-G383 PolarHBondContact O-N 3.04Å; L380-G383 PolarHBondContact O-N 2.77Å
384L96.6Very high90.1Very high2 Ų233.1 Ų33.11%0.0119%0.186CC..Hα-helixtrans-75.2-39.2178.2-66.6174.9000113.4G324 T326 I328 F345 L380 G381 H382 I412G324-L384 VanDerWaalsContact CA-O 3.28Å; G324-L384 WeakPolarHBondContact CA-O 3.28Å; G324-L384 PolarHBondContact N-O 2.88Å; G324-L384 VanDerWaalsContact N-O 3.13Å; T326-L384 HydrophobicContact CG2-CD2 4.44Å; T326-L384 PolarHBondContact OG1-O 3.47Å; I328-L384 HydrophobicContact CD1-CD1 4.49Å; I328-L384 HydrophobicContact CD1-CD2 3.88Å; I328-L384 HydrophobicContact CG1-CD2 3.77Å; F345-L384 HydrophobicContact CB-CD1 4.09Å; F345-L384 HydrophobicContact CD2-CD1 3.7Å; F345-L384 HydrophobicContact CG-CD1 4.19Å; L380-L384 HydrophobicContact CD1-CD1 4.42Å; L380-L384 HydrophobicContact CG-CD1 4.39Å; L380-L384 WeakPolarHBondContact O-CG 3.41Å; L380-L384 PolarHBondContact O-N 2.85Å; G381-L384 PolarHBondContact O-N 3.07Å; H382-L384 VanDerWaalsContact C-N 3.25Å; H382-L384 PolarHBondContact O-N 2.81Å; L384-I412 HydrophobicContact CD2-CD1 3.59Å; L384-I412 HydrophobicContact CD2-CG1 4.34Å; L384-I412 HydrophobicContact CG-CD1 3.9Å
385L96.8Very high87.6Confident36 Ų3641.1 Ų41.119%0.18822%0.22CC..Hα-helixtrans-99.3-19.9-167.9-62.8167.8000114.7P323 Q351 V355 G381 H382 G387P323-L385 WeakPolarHBondContact CA-O 3.48Å; P323-L385 VanDerWaalsContact CB-O 3.29Å; P323-L385 WeakPolarHBondContact CB-O 3.33Å; Q351-L385 HydrophobicContact CB-CD1 4.39Å; Q351-L385 HydrophobicContact CG-CD1 3.72Å; V355-L385 HydrophobicContact CB-CD1 4.33Å; V355-L385 HydrophobicContact CG1-CD1 4.16Å; V355-L385 HydrophobicContact CG2-CD1 3.75Å; G381-L385 WeakPolarHBondContact O-CB 3.49Å; G381-L385 WeakPolarHBondContact O-CG 3.4Å; G381-L385 PolarHBondContact O-N 3.47Å; H382-L385 PolarHBondContact O-N 3.19Å; L385-G387 VanDerWaalsContact C-N 3.34Å; L385-G387 PolarHBondContact O-N 3.18Å
386S93.3Very high85Confident40 Ų4045.8 Ų45.828%0.2825%0.253SS..SBendtrans-67.4-32.6-177.8590000113.7H382 E388H382-S386 WeakPolarHBondContact O-CB 3.4Å; H382-S386 PolarHBondContact O-N 2.93Å; H382-S386 PolarHBondContact O-OG 3.34Å; S386-E388 PolarHBondContact OG-N 2.81Å
387G88.1Confident82.2Confident11 Ų1149.6 Ų49.611%0.11329%0.293CS..SBendtrans79.30.8-170.300000114.1L385 Y389 S390L385-G387 VanDerWaalsContact C-N 3.34Å; L385-G387 PolarHBondContact O-N 3.18Å; G387-Y389 VanDerWaalsContact C-N 3.27Å; G387-Y389 PolarHBondContact O-N 3.16Å; G387-S390 PolarHBondContact O-N 3.31Å
388E86.5Confident79.5Confident79 Ų7955.9 Ų55.937%0.36933%0.326SS..THydrogen-bonded Turntrans-63.7-35.6-179.6-177.5170.7-175.800112.6S386 K391S386-E388 PolarHBondContact OG-N 2.81Å; E388-K391 WeakPolarHBondContact O-CD 3.3Å; E388-K391 WeakPolarHBondContact O-CE 3.4Å; E388-K391 PolarHBondContact O-NZ 3.12Å
389Y88.1Confident76.6Confident34 Ų3460.2 Ų60.213%0.13337%0.371CS..THydrogen-bonded Turntrans-99.88.8-177.8-50.1-74.3000112.9F34 G387 G411 I412F34-Y389 HydrophobicContact CB-CD1 4.37Å; F34-Y389 HydrophobicContact CB-CE1 3.74Å; F34-Y389 HydrophobicContact CB-CE2 4.22Å; F34-Y389 HydrophobicContact CD2-CE2 4.05Å; F34-Y389 PolarHBondContact N-OH 3.39Å; G387-Y389 VanDerWaalsContact C-N 3.27Å; G387-Y389 PolarHBondContact O-N 3.16Å; Y389-G411 PolarHBondContact O-N 2.93Å; Y389-I412 HydrophobicContact CD1-CG2 4.27Å; Y389-I412 HydrophobicContact CD2-CG2 3.67Å; Y389-I412 HydrophobicContact CE2-CG2 4.45Å; Y389-I412 HydrophobicContact CG-CG2 3.55Å
390S88.6Confident73.7Confident4 Ų468.2 Ų68.23%0.02841%0.408CS..  trans-122.872.6179.2-169.30000110.4F321 G322 Y325 G387 Q409F321-S390 WeakPolarHBondContact CA-OG 3.36Å; G322-S390 PolarHBondContact N-O 3.3Å; G322-S390 VanDerWaalsContact N-O 3.14Å; G322-S390 PolarHBondContact N-OG 2.63Å; Y325-S390 PolarHBondContact O-OG 3.36Å; Y325-S390 VanDerWaalsContact O-OG 3.05Å; G387-S390 PolarHBondContact O-N 3.31Å; S390-Q409 VanDerWaalsContact CA-OE1 3.3Å; S390-Q409 VanDerWaalsContact CB-OE1 3.23Å; S390-Q409 PolarHBondContact OG-OE1 3.46Å
391K82.6Confident70.7Confident123 Ų12380 Ų8054%0.53545%0.453SS..  trans-120.4145.8-178.7-66.8172.3-177.1150.50110.5E388E388-K391 WeakPolarHBondContact O-CD 3.3Å; E388-K391 WeakPolarHBondContact O-CE 3.4Å; E388-K391 PolarHBondContact O-NZ 3.12Å
392P75.4Confident67.8Low84 Ų8484.7 Ų84.755%0.54548%0.481SS..PPolyproline II helixtrans-65.3144.7168.628.6-32.9000109.5F321F321-P392 HydrophobicContact CE2-CB 4.38Å; F321-P392 HydrophobicContact CZ-CB 4.36Å
393V64.8Low64.8Low84 Ų8487 Ų8751%0.50950%0.501SS..PPolyproline II helixtrans-60.7129174.6-176.90000108.3E395V393-E395 PolarHBondContact O-N 2.99Å
394P55.6Low62.1Low109 Ų10996.6 Ų96.671%0.70855%0.546SS*.PPolyproline II helixtrans-59.5130.2178.3-19.330.1000110.4S396P394-S396 PolarHBondContact O-N 3.37Å
395E45.7Very low59.3Low194 Ų194104.8 Ų104.891%0.90758%0.584SS**  trans-55.7115.6168-73.7-175.3160.300108V393 G397V393-E395 PolarHBondContact O-N 2.99Å; E395-G397 PolarHBondContact O-N 2.79Å
396S41.9Very low56.9Low98 Ų98110.2 Ų110.269%0.68561%0.606SS**  trans-62.1128.3169.1-57.50000107P394 D398P394-S396 PolarHBondContact O-N 3.37Å; S396-D398 PolarHBondContact O-N 3.44Å
397G40Very low55Low82 Ų82114.4 Ų114.485%0.84562%0.622SS**SBendtrans-65.616.9-167.500000117.3E395E395-G397 PolarHBondContact O-N 2.79Å
398D39.9Very low53.7Low138 Ų138117.4 Ų117.474%0.73864%0.637SS**SBendtrans-110.1116.4174.2-66.9-42.5000108.1S396 E400S396-D398 PolarHBondContact O-N 3.44Å; D398-E400 PolarHBondContact O-N 3.4Å
399G38.7Very low53.1Low92 Ų92113.9 Ų113.995%0.94862%0.621SS**  trans-65.234.9-172.500000116.4
400E37.3Very low52.4Low171 Ų171118.6 Ų118.680%0.79965%0.648SS**  trans-82.9120.6164.4-70.8-164.3154.400109.4D398 V402D398-E400 PolarHBondContact O-N 3.4Å; E400-V402 PolarHBondContact O-N 2.9Å
401R34.4Very low52.3Low248 Ų248119 Ų11994%0.93665%0.653SS**  trans-55.4102.5174.5-70.1175.7177.8176.6-2.6109.2
402V35.6Very low52.8Low98 Ų98113.3 Ų113.359%0.59463%0.628SS**  trans-59.7131.1167.4-173.20000107.1E400E400-V402 PolarHBondContact O-N 2.9Å
403P35.9Very low53.6Low101 Ų101110.1 Ų110.166%0.65661%0.609SS**  trans-57.7143.4177.522.3-31.6000110.2Q405P403-Q405 PolarHBondContact O-N 3.07Å
404E38.8Very low55Low201 Ų201106.1 Ų106.194%0.93959%0.585SS**THydrogen-bonded Turntrans-55.315-170.9-65.7173.8152.600116.9
405Q37.8Very low56.6Low174 Ų174104.7 Ų104.781%0.81357%0.565SS**THydrogen-bonded Turntrans-107.85.9-172.4-75.1-174.6-23.900115.7P403P403-Q405 PolarHBondContact O-N 3.07Å
406K45.3Very low58.8Low149 Ų14996.3 Ų96.365%0.64853%0.527SS*.  trans-119.938.7-174.8-82.2-170.5173.3-173.70115.5V408K406-V408 VanDerWaalsContact C-N 3.3Å; K406-V408 PolarHBondContact O-N 2.96Å
407E53.3Low61.4Low129 Ų12992 Ų9260%0.60350%0.495SS*.  trans-94.138.4167.4-64.2-169.4171.600112.4P319P319-E407 HydrophobicContact CG-CB 4.09Å; P319-E407 WeakPolarHBondContact CG-OE2 3Å
408V61.5Low63.9Low74 Ų7489 Ų8945%0.44846%0.459SS..  trans-98.3121.6176.9-175.60000108.4K406 Q835K406-V408 VanDerWaalsContact C-N 3.3Å; K406-V408 PolarHBondContact O-N 2.96Å; V408-Q835 HydrophobicContact CG1-CB 4.05Å
409Q73.3Confident66.2Low5 Ų583.8 Ų83.82%0.02344%0.436CS..  trans-64.3147.3172.158.4-174.9-56.700111.1F321 Y325 G327 S390 G411F321-Q409 HydrophobicContact CD1-CB 4.23Å; F321-Q409 HydrophobicContact CE1-CB 4Å; Y325-Q409 PolarHBondContact O-NE2 2.93Å; Y325-Q409 PolarHBondContact O-OE1 2.78Å; G327-Q409 VanDerWaalsContact N-CD 3.27Å; G327-Q409 VanDerWaalsContact N-OE1 3.09Å; S390-Q409 VanDerWaalsContact CA-OE1 3.3Å; S390-Q409 VanDerWaalsContact CB-OE1 3.23Å; S390-Q409 PolarHBondContact OG-OE1 3.46Å; Q409-G411 PolarHBondContact O-N 2.83Å
410D74.1Confident68.8Low132 Ų13280.4 Ų80.471%0.70640%0.395SS*.  trans-62.6-32.5176-67.3-39.5000112
411G87.2Confident71.5Confident12 Ų1272.4 Ų72.412%0.12436%0.358CS..  trans66.8-156.9175.800000113.3G327 Y389 Q409G327-G411 CarbonylContact O-C 3.32Å; G327-G411 WeakPolarHBondContact O-CA 3.3Å; Y389-G411 PolarHBondContact O-N 2.93Å; Q409-G411 PolarHBondContact O-N 2.83Å
412I93.1Very high74.1Confident4 Ų460.7 Ų60.72%0.02132%0.315CS..BIsolated β-bridgetrans-123150177.861.6172.8000111.9F34 T326 G327 I328 Q329 L380 L384 Y389F34-I412 HydrophobicContact CB-CG2 4.49Å; F34-I412 HydrophobicContact CD1-CB 4.28Å; F34-I412 HydrophobicContact CD2-CB 4.12Å; F34-I412 HydrophobicContact CD2-CG2 3.77Å; F34-I412 HydrophobicContact CE1-CB 4.32Å; F34-I412 HydrophobicContact CE2-CB 4.16Å; F34-I412 HydrophobicContact CE2-CD1 3.88Å; F34-I412 HydrophobicContact CE2-CG2 4.13Å; F34-I412 HydrophobicContact CG-CB 4.17Å; F34-I412 HydrophobicContact CG-CG2 4.06Å; F34-I412 HydrophobicContact CZ-CB 4.26Å; F34-I412 HydrophobicContact CZ-CD1 3.98Å; T326-I412 HydrophobicContact CG2-CG1 4.34Å; T326-I412 HydrophobicContact CG2-CG2 3.95Å; G327-I412 PolarHBondContact O-N 3.42Å; I328-I412 CarbonylContact C-O 3.57Å; I328-I412 WeakPolarHBondContact CA-O 3.15Å; I328-I412 HydrophobicContact CG1-CD1 4.35Å; I328-I412 HydrophobicContact CG1-CG1 4.09Å; I328-I412 HydrophobicContact CG2-CG1 4.49Å; Q329-I412 PolarHBondContact N-O 3.06Å; L380-I412 HydrophobicContact CD1-CD1 3.74Å; L384-I412 HydrophobicContact CD2-CD1 3.59Å; L384-I412 HydrophobicContact CD2-CG1 4.34Å; L384-I412 HydrophobicContact CG-CD1 3.9Å; Y389-I412 HydrophobicContact CD1-CG2 4.27Å; Y389-I412 HydrophobicContact CD2-CG2 3.67Å; Y389-I412 HydrophobicContact CE2-CG2 4.45Å; Y389-I412 HydrophobicContact CG-CG2 3.55Å
413A92Very high76.6Confident17 Ų1762.7 Ų62.714%0.1432%0.315CS..  trans-114.397.8176.400000110.5Q329 L331 R415Q329-A413 HydrophobicContact CB-CB 4.24Å; L331-A413 HydrophobicContact CD2-CB 4.23Å; A413-R415 HydrophobicContact CB-CG 4.44Å; A413-R415 PolarHBondContact O-N 3.22Å
414P93.8Very high78.7Confident0 Ų061.8 Ų61.80%032%0.324CS..  trans-80.247.1-170.834.2-38.5000113.5I328 L331 L337 L380 F417 K418I328-P414 VanDerWaalsContact CG2-CD 3.46Å; I328-P414 HydrophobicContact CG2-CG 3.58Å; L331-P414 HydrophobicContact CD1-CG 4.22Å; L337-P414 HydrophobicContact CD2-CG 4.2Å; L380-P414 HydrophobicContact CD1-CB 3.93Å; P414-F417 HydrophobicContact CB-CB 4.25Å; P414-F417 PolarHBondContact O-N 3.47Å; P414-K418 WeakPolarHBondContact O-CB 3.35Å; P414-K418 PolarHBondContact O-N 3.1Å
415R89.1Confident80.8Confident79 Ų7954.2 Ų54.230%0.29829%0.289SS..Hα-helixtrans-62-47.9-175.5-63.7173.1-174.6-81.43.4111.6E165 L331 A413 F417 K418 A419E165-R415 IonicContact OE1-CZ 2.71Å; E165-R415 IonicContact OE1-NH1 2.64Å; E165-R415 PolarHBondContact OE1-NH1 2.61Å; L331-R415 HydrophobicContact CD1-CB 4.35Å; L331-R415 HydrophobicContact CD1-CG 3.77Å; L331-R415 HydrophobicContact CD2-CG 3.7Å; L331-R415 HydrophobicContact CG-CG 4.38Å; A413-R415 HydrophobicContact CB-CG 4.44Å; A413-R415 PolarHBondContact O-N 3.22Å; R415-F417 VanDerWaalsContact C-N 3.34Å; R415-F417 PolarHBondContact O-N 3.26Å; R415-K418 PolarHBondContact O-N 2.84Å; R415-A419 WeakPolarHBondContact O-CB 3.34Å; R415-A419 PolarHBondContact O-N 3.22Å
416M91.7Very high82.7Confident19 Ų1950.3 Ų50.39%0.09428%0.278CS..Hα-helixtrans-64.4-39.6-179.4-163.4176.3-64.200111.9E29 T370 Q376 L420E29-M416 HydrophobicContact CB-CE 4.48Å; T370-M416 VanDerWaalsContact CB-SD 3.57Å; T370-M416 HydrophobicContact CG2-CE 3.96Å; T370-M416 HydrophobicContact CG2-SD 3.57Å; T370-M416 VanDerWaalsContact CG2-SD 3.57Å; Q376-M416 VanDerWaalsContact CD-SD 3.57Å; Q376-M416 HydrophobicContact CG-CG 4.45Å; Q376-M416 PolarHBondContact NE2-SD 3.4Å; Q376-M416 VanDerWaalsContact NE2-SD 3.41Å; Q376-M416 VanDerWaalsContact OE1-CG 3.22Å; Q376-M416 PolarHBondContact OE1-SD 3.11Å; M416-L420 WeakPolarHBondContact O-CB 3.4Å; M416-L420 PolarHBondContact O-N 3.11Å; M416-L420 VanDerWaalsContact O-N 3.14Å
417F95.8Very high84.3Confident6 Ų645.4 Ų45.43%0.02626%0.258CS..Hα-helixtrans-64.2-54.6174.2174.2-99.1000111.3L337 V341 Q376 V377 L380 P414 R415 A419 L420 I421 L443L337-F417 HydrophobicContact CD1-CD1 4.22Å; L337-F417 HydrophobicContact CD1-CE1 4.14Å; L337-F417 HydrophobicContact CD2-CD1 4.43Å; L337-F417 HydrophobicContact CD2-CE1 4.38Å; L337-F417 HydrophobicContact CG-CE1 4.31Å; V341-F417 HydrophobicContact CG1-CE1 4Å; V341-F417 HydrophobicContact CG1-CZ 4.3Å; Q376-F417 HydrophobicContact CB-CD2 4.23Å; V377-F417 HydrophobicContact CG2-CE2 3.87Å; L380-F417 HydrophobicContact CD2-CD1 3.75Å; L380-F417 HydrophobicContact CD2-CD2 4.06Å; L380-F417 HydrophobicContact CD2-CE1 3.77Å; L380-F417 HydrophobicContact CD2-CE2 4.09Å; L380-F417 HydrophobicContact CD2-CG 3.9Å; L380-F417 HydrophobicContact CD2-CZ 3.94Å; P414-F417 HydrophobicContact CB-CB 4.25Å; P414-F417 PolarHBondContact O-N 3.47Å; R415-F417 VanDerWaalsContact C-N 3.34Å; R415-F417 PolarHBondContact O-N 3.26Å; F417-A419 VanDerWaalsContact C-N 3.29Å; F417-A419 PolarHBondContact O-N 3.23Å; F417-L420 PolarHBondContact O-N 3.36Å; F417-I421 HydrophobicContact CD1-CD1 4.32Å; F417-I421 HydrophobicContact CD1-CG1 4.3Å; F417-I421 HydrophobicContact CD2-CG2 4.18Å; F417-I421 HydrophobicContact CE1-CD1 3.65Å; F417-I421 HydrophobicContact CE1-CG1 4.03Å; F417-I421 HydrophobicContact CE1-CG2 4.47Å; F417-I421 HydrophobicContact CE2-CG2 3.69Å; F417-I421 HydrophobicContact CZ-CD1 3.93Å; F417-I421 HydrophobicContact CZ-CG1 4.23Å; F417-I421 HydrophobicContact CZ-CG2 3.86Å; F417-I421 VanDerWaalsContact O-CG1 3.23Å; F417-I421 WeakPolarHBondContact O-CG1 3.29Å; F417-I421 PolarHBondContact O-N 2.98Å; F417-L443 HydrophobicContact CZ-CD1 4.06Å; F417-L443 HydrophobicContact CZ-CD2 4.34Å
418K92.7Very high85.9Confident19 Ų1939.4 Ų39.48%0.08323%0.23CC..Hα-helixtrans-53.2-47.1178.8-176-170.4178.3-166.10111.2L331 L337 P414 R415 L420 G422 N431L331-K418 HydrophobicContact CD1-CB 4.47Å; L331-K418 HydrophobicContact CD1-CD 4.21Å; L337-K418 HydrophobicContact CD1-CB 3.95Å; L337-K418 HydrophobicContact CD1-CG 3.96Å; P414-K418 WeakPolarHBondContact O-CB 3.35Å; P414-K418 PolarHBondContact O-N 3.1Å; R415-K418 PolarHBondContact O-N 2.84Å; K418-L420 VanDerWaalsContact C-N 3.32Å; K418-L420 PolarHBondContact O-N 3.46Å; K418-G422 PolarHBondContact O-N 3.3Å; K418-N431 PolarHBondContact NZ-OD1 2.95Å
419A89.2Confident86.8Confident30 Ų3038.5 Ų38.525%0.24823%0.227CC..Hα-helixtrans-63.7-36.5-179.600000113R415 F417 K423R415-A419 WeakPolarHBondContact O-CB 3.34Å; R415-A419 PolarHBondContact O-N 3.22Å; F417-A419 VanDerWaalsContact C-N 3.29Å; F417-A419 PolarHBondContact O-N 3.23Å; A419-K423 WeakPolarHBondContact O-CB 3.46Å; A419-K423 PolarHBondContact O-N 2.65Å
420L93.8Very high86.8Confident20 Ų2039.8 Ų39.811%0.10524%0.235CC..Hα-helixtrans-71.1-50.4178.717958.1000111.7D372 Q376 M416 F417 K418 G422 K423D372-L420 WeakPolarHBondContact O-CD2 3.49Å; Q376-L420 HydrophobicContact CB-CD2 3.97Å; Q376-L420 HydrophobicContact CG-CD2 3.63Å; M416-L420 WeakPolarHBondContact O-CB 3.4Å; M416-L420 PolarHBondContact O-N 3.11Å; M416-L420 VanDerWaalsContact O-N 3.14Å; F417-L420 PolarHBondContact O-N 3.36Å; K418-L420 VanDerWaalsContact C-N 3.32Å; K418-L420 PolarHBondContact O-N 3.46Å; L420-G422 VanDerWaalsContact C-N 3.31Å; L420-G422 PolarHBondContact O-N 3.48Å; L420-K423 VanDerWaalsContact O-CB 3.28Å; L420-K423 WeakPolarHBondContact O-CB 3.49Å; L420-K423 PolarHBondContact O-N 3.15Å
421I93.5Very high86.6Confident4 Ų434.5 Ų34.52%0.02121%0.207CC..Hα-helixtrans-73.8-24.1-176.260.3142.2000113L337 F373 F417 F439 H442 L443 M446L337-I421 HydrophobicContact CD1-CD1 4.1Å; F373-I421 HydrophobicContact CD2-CG2 4.37Å; F373-I421 HydrophobicContact CE2-CG2 4.23Å; F417-I421 HydrophobicContact CD1-CD1 4.32Å; F417-I421 HydrophobicContact CD1-CG1 4.3Å; F417-I421 HydrophobicContact CD2-CG2 4.18Å; F417-I421 HydrophobicContact CE1-CD1 3.65Å; F417-I421 HydrophobicContact CE1-CG1 4.03Å; F417-I421 HydrophobicContact CE1-CG2 4.47Å; F417-I421 HydrophobicContact CE2-CG2 3.69Å; F417-I421 HydrophobicContact CZ-CD1 3.93Å; F417-I421 HydrophobicContact CZ-CG1 4.23Å; F417-I421 HydrophobicContact CZ-CG2 3.86Å; F417-I421 VanDerWaalsContact O-CG1 3.23Å; F417-I421 WeakPolarHBondContact O-CG1 3.29Å; F417-I421 PolarHBondContact O-N 2.98Å; I421-F439 HydrophobicContact CD1-CE2 3.23Å; I421-F439 HydrophobicContact CD1-CZ 3.29Å; I421-H442 PolarHBondContact O-NE2 2.95Å; I421-L443 HydrophobicContact CG2-CD1 4.37Å; I421-M446 HydrophobicContact CB-CE 4.23Å; I421-M446 HydrophobicContact CB-SD 3.77Å; I421-M446 HydrophobicContact CG2-CE 4.02Å; I421-M446 HydrophobicContact CG2-SD 3.88Å
422G89.5Confident85.5Confident2 Ų238.7 Ų38.72%0.02122%0.219CC..THydrogen-bonded Turntrans-84.2-11.1173.600000114K418 L420 G424 H425 F428 S429K418-G422 PolarHBondContact O-N 3.3Å; L420-G422 VanDerWaalsContact C-N 3.31Å; L420-G422 PolarHBondContact O-N 3.48Å; G422-G424 PolarHBondContact O-N 3.24Å; G422-H425 WeakPolarHBondContact O-CB 3.35Å; G422-H425 PolarHBondContact O-N 2.88Å; G422-F428 WeakPolarHBondContact CA-O 3.24Å; G422-S429 WeakPolarHBondContact O-CA 3.43Å; G422-S429 VanDerWaalsContact O-CB 3.27Å; G422-S429 WeakPolarHBondContact O-CB 3.44Å; G422-S429 PolarHBondContact O-N 2.84Å
423K88.2Confident84.4Confident140 Ų14041.8 Ų41.861%0.60923%0.233SC*.THydrogen-bonded Turntrans-59.4120.9-173.2-172.1180179.9-1780111.6A419 L420 H425A419-K423 WeakPolarHBondContact O-CB 3.46Å; A419-K423 PolarHBondContact O-N 2.65Å; L420-K423 VanDerWaalsContact O-CB 3.28Å; L420-K423 WeakPolarHBondContact O-CB 3.49Å; L420-K423 PolarHBondContact O-N 3.15Å; K423-H425 PolarHBondContact O-N 3.04Å
424G78.4Confident83.9Confident81 Ų8141.9 Ų41.984%0.83523%0.231SC*.THydrogen-bonded Turntrans78.9-4.6-179.900000114.6G422G422-G424 PolarHBondContact O-N 3.24Å
425H83.9Confident83.8Confident42 Ų4243.8 Ų43.819%0.19424%0.241CC..  trans-87.7128.6177.4-163.8-74.7000110.6G422 K423 E427 F428 S429 H442G422-H425 WeakPolarHBondContact O-CB 3.35Å; G422-H425 PolarHBondContact O-N 2.88Å; K423-H425 PolarHBondContact O-N 3.04Å; H425-E427 VanDerWaalsContact C-N 3.29Å; H425-E427 PolarHBondContact ND1-N 2.84Å; H425-E427 VanDerWaalsContact ND1-N 3.12Å; H425-E427 PolarHBondContact O-N 3.29Å; H425-F428 HydrophobicContact CB-CB 4.29Å; H425-F428 HydrophobicContact CB-CD2 4.32Å; H425-F428 AromaticContact CD2-CD2 3.72Å; H425-F428 AromaticContact CE1-CD2 3.38Å; H425-F428 WeakPolarHBondContact CE1-CD2 3.04Å; H425-F428 AromaticContact CE1-CE2 3.4Å; H425-F428 WeakPolarHBondContact CE1-CE2 3.5Å; H425-F428 AromaticContact CG-CD2 3.53Å; H425-F428 AromaticContact ND1-CD2 3.31Å; H425-F428 VanDerWaalsContact ND1-CD2 3.31Å; H425-F428 WeakPolarHBondContact ND1-CD2 3.41Å; H425-F428 AromaticContact ND1-CE2 3.85Å; H425-F428 AromaticContact ND1-CG 3.96Å; H425-F428 PolarHBondContact ND1-N 2.7Å; H425-F428 AromaticContact NE2-CD2 3.63Å; H425-F428 AromaticContact NE2-CE2 3.58Å; H425-S429 WeakPolarHBondContact O-CB 3.32Å; H425-S429 PolarHBondContact O-N 2.91Å; H425-S429 VanDerWaalsContact O-N 3.16Å; H425-S429 PolarHBondContact O-OG 3.48Å; H425-H442 AromaticContact CD2-CE1 3.67Å; H425-H442 AromaticContact CD2-ND1 3.74Å
426P77.8Confident84Confident92 Ų9240 Ų4060%0.59723%0.226SC*.THydrogen-bonded Turntrans-61.7-35.9-176.723.3-33.8000113.1T430 R432P426-T430 WeakPolarHBondContact O-CG2 3.5Å; P426-R432 PolarHBondContact O-NH2 3.04Å
427E79.1Confident84.3Confident47 Ų4740.6 Ų40.622%0.2223%0.229CC..THydrogen-bonded Turntrans-82.4-64.7177.7-61.6-58.4134.100112.5H425 S429 T430 R432 Q434H425-E427 VanDerWaalsContact C-N 3.29Å; H425-E427 PolarHBondContact ND1-N 2.84Å; H425-E427 VanDerWaalsContact ND1-N 3.12Å; H425-E427 PolarHBondContact O-N 3.29Å; E427-S429 VanDerWaalsContact C-N 3.3Å; E427-S429 PolarHBondContact O-N 3.36Å; E427-T430 PolarHBondContact O-N 3.15Å; E427-T430 VanDerWaalsContact O-N 3.1Å; E427-T430 PolarHBondContact O-OG1 3.23Å; E427-R432 VanDerWaalsContact CD-NH1 3.29Å; E427-R432 IonicContact OE1-CZ 2.74Å; E427-R432 IonicContact OE1-NH1 3.43Å; E427-R432 PolarHBondContact OE1-NH1 2.91Å; E427-R432 IonicContact OE1-NH2 2.8Å; E427-R432 PolarHBondContact OE1-NH2 2.83Å; E427-R432 IonicContact OE2-CZ 3Å; E427-R432 IonicContact OE2-NE 2.87Å; E427-R432 PolarHBondContact OE2-NE 2.82Å; E427-R432 IonicContact OE2-NH1 3.17Å; E427-R432 PolarHBondContact OE2-NH1 2.93Å; E427-R432 IonicContact OE2-NH2 3.53Å; E427-R432 PolarHBondContact OE2-NH2 3.21Å; E427-Q434 PolarHBondContact O-NE2 3.46Å; E427-Q434 PolarHBondContact OE2-NE2 2.88Å; E427-Q434 PolarHBondContact OE2-OE1 3.19Å; E427-Q434 VanDerWaalsContact OE2-OE1 3.11Å
428F86.6Confident84.3Confident3 Ų344 Ų441%0.01325%0.245CC..THydrogen-bonded Turntrans-73.6-9.3-170.5-52.4-57.1000116.3Y336 G422 H425 T430 Q434 E438 F439 H442Y336-F428 AromaticContact CE2-CD1 3.89Å; Y336-F428 HydrophobicContact CE2-CD1 3.89Å; Y336-F428 HydrophobicContact CE2-CE1 4.13Å; G422-F428 WeakPolarHBondContact CA-O 3.24Å; H425-F428 HydrophobicContact CB-CB 4.29Å; H425-F428 HydrophobicContact CB-CD2 4.32Å; H425-F428 AromaticContact CD2-CD2 3.72Å; H425-F428 AromaticContact CE1-CD2 3.38Å; H425-F428 WeakPolarHBondContact CE1-CD2 3.04Å; H425-F428 AromaticContact CE1-CE2 3.4Å; H425-F428 WeakPolarHBondContact CE1-CE2 3.5Å; H425-F428 AromaticContact CG-CD2 3.53Å; H425-F428 AromaticContact ND1-CD2 3.31Å; H425-F428 VanDerWaalsContact ND1-CD2 3.31Å; H425-F428 WeakPolarHBondContact ND1-CD2 3.41Å; H425-F428 AromaticContact ND1-CE2 3.85Å; H425-F428 AromaticContact ND1-CG 3.96Å; H425-F428 PolarHBondContact ND1-N 2.7Å; H425-F428 AromaticContact NE2-CD2 3.63Å; H425-F428 AromaticContact NE2-CE2 3.58Å; F428-T430 VanDerWaalsContact C-N 3.27Å; F428-Q434 HydrophobicContact CD1-CB 4.29Å; F428-Q434 HydrophobicContact CD1-CG 4Å; F428-Q434 HydrophobicContact CE1-CB 3.88Å; F428-Q434 HydrophobicContact CE1-CG 4.03Å; F428-E438 HydrophobicContact CE2-CG 4.47Å; F428-E438 HydrophobicContact CZ-CB 4.28Å; F428-E438 HydrophobicContact CZ-CG 3.93Å; F428-F439 AromaticContact CD1-CD2 3.72Å; F428-F439 HydrophobicContact CD1-CD2 3.72Å; F428-F439 HydrophobicContact CD1-CE2 4.48Å; F428-F439 HydrophobicContact CE1-CB 3.78Å; F428-F439 AromaticContact CE1-CD2 3.71Å; F428-F439 HydrophobicContact CE1-CD2 3.71Å; F428-F439 HydrophobicContact CE1-CG 4.26Å; F428-F439 HydrophobicContact CG-CD2 4.21Å; F428-F439 HydrophobicContact CZ-CB 3.97Å; F428-F439 HydrophobicContact CZ-CD2 4.19Å; F428-H442 HydrophobicContact CD2-CB 4.24Å; F428-H442 AromaticContact CD2-CD2 3.5Å; F428-H442 VanDerWaalsContact CD2-CD2 3.5Å; F428-H442 WeakPolarHBondContact CD2-CD2 3.29Å; F428-H442 AromaticContact CD2-CG 3.8Å; F428-H442 AromaticContact CD2-NE2 3.96Å; F428-H442 HydrophobicContact CE2-CB 3.65Å; F428-H442 AromaticContact CE2-CD2 3.83Å; F428-H442 AromaticContact CE2-CG 3.71Å; F428-H442 HydrophobicContact CZ-CB 4.4Å
429S79.6Confident84.6Confident55 Ų5543.1 Ų43.139%0.38524%0.241SC..THydrogen-bonded Turntrans-73.5-2116960.40000113G422 H425 E427G422-S429 WeakPolarHBondContact O-CA 3.43Å; G422-S429 VanDerWaalsContact O-CB 3.27Å; G422-S429 WeakPolarHBondContact O-CB 3.44Å; G422-S429 PolarHBondContact O-N 2.84Å; H425-S429 WeakPolarHBondContact O-CB 3.32Å; H425-S429 PolarHBondContact O-N 2.91Å; H425-S429 VanDerWaalsContact O-N 3.16Å; H425-S429 PolarHBondContact O-OG 3.48Å; E427-S429 VanDerWaalsContact C-N 3.3Å; E427-S429 PolarHBondContact O-N 3.36Å
430T73.4Confident85Confident31 Ų3141.7 Ų41.719%0.1923%0.229CC..SBendtrans-89.1170.7-176.969.60000112.1P426 E427 F428 R432P426-T430 WeakPolarHBondContact O-CG2 3.5Å; E427-T430 PolarHBondContact O-N 3.15Å; E427-T430 VanDerWaalsContact O-N 3.1Å; E427-T430 PolarHBondContact O-OG1 3.23Å; F428-T430 VanDerWaalsContact C-N 3.27Å; T430-R432 VanDerWaalsContact OG1-CG 3.29Å; T430-R432 WeakPolarHBondContact OG1-CG 3.3Å; T430-R432 PolarHBondContact OG1-NE 3.41Å
431N70.1Confident85.2Confident22 Ų2242.9 Ų42.912%0.11824%0.236CC..SBendtrans-99.717.4175-66.6-35.4000113.5A168 W169 N333 K418A168-N431 WeakPolarHBondContact CB-ND2 3.44Å; W169-N431 VanDerWaalsContact CD1-ND2 3.31Å; W169-N431 PolarHBondContact NE1-ND2 2.75Å; N333-N431 WeakPolarHBondContact CB-O 3.07Å; N333-N431 PolarHBondContact ND2-O 3.14Å; K418-N431 PolarHBondContact NZ-OD1 2.95Å
432R64.8Low85.3Confident100 Ų10044.3 Ų44.338%0.37724%0.242SC..SBendtrans-79.9166.3176.877-169.4136.1148.1-4.7112.3P426 E427 T430P426-R432 PolarHBondContact O-NH2 3.04Å; E427-R432 VanDerWaalsContact CD-NH1 3.29Å; E427-R432 IonicContact OE1-CZ 2.74Å; E427-R432 IonicContact OE1-NH1 3.43Å; E427-R432 PolarHBondContact OE1-NH1 2.91Å; E427-R432 IonicContact OE1-NH2 2.8Å; E427-R432 PolarHBondContact OE1-NH2 2.83Å; E427-R432 IonicContact OE2-CZ 3Å; E427-R432 IonicContact OE2-NE 2.87Å; E427-R432 PolarHBondContact OE2-NE 2.82Å; E427-R432 IonicContact OE2-NH1 3.17Å; E427-R432 PolarHBondContact OE2-NH1 2.93Å; E427-R432 IonicContact OE2-NH2 3.53Å; E427-R432 PolarHBondContact OE2-NH2 3.21Å; T430-R432 VanDerWaalsContact OG1-CG 3.29Å; T430-R432 WeakPolarHBondContact OG1-CG 3.3Å; T430-R432 PolarHBondContact OG1-NE 3.41Å
433Q70.7Confident85.7Confident69 Ų6944.5 Ų44.532%0.32224%0.243SC..  trans-68.5144.4173.2-63.4-173.15.900110.4N333 C816 G817N333-Q433 HydrophobicContact CB-CG 3.71Å; N333-Q433 VanDerWaalsContact CG-CG 3.45Å; N333-Q433 WeakPolarHBondContact OD1-CG 3.47Å; N333-Q433 PolarHBondContact OD1-NE2 2.9Å; Q433-C816 VanDerWaalsContact OE1-CB 3.23Å; Q433-G817 PolarHBondContact OE1-O 2.78Å
434Q80.8Confident86.1Confident19 Ų1937.9 Ų37.99%0.08921%0.214CC..  trans-139.4157.9-174.9-60.1-63.5-9.400111.3Y336 E427 F428 Y819Y336-Q434 WeakPolarHBondContact CB-O 3.49Å; Y336-Q434 HydrophobicContact CD1-CB 3.72Å; Y336-Q434 HydrophobicContact CD1-CG 4.36Å; Y336-Q434 HydrophobicContact CD2-CB 4.04Å; Y336-Q434 HydrophobicContact CE1-CB 3.55Å; Y336-Q434 HydrophobicContact CE1-CG 3.68Å; Y336-Q434 HydrophobicContact CE2-CB 3.93Å; Y336-Q434 HydrophobicContact CE2-CG 4.26Å; Y336-Q434 HydrophobicContact CG-CB 3.96Å; E427-Q434 PolarHBondContact O-NE2 3.46Å; E427-Q434 PolarHBondContact OE2-NE2 2.88Å; E427-Q434 PolarHBondContact OE2-OE1 3.19Å; E427-Q434 VanDerWaalsContact OE2-OE1 3.11Å; F428-Q434 HydrophobicContact CD1-CB 4.29Å; F428-Q434 HydrophobicContact CD1-CG 4Å; F428-Q434 HydrophobicContact CE1-CB 3.88Å; F428-Q434 HydrophobicContact CE1-CG 4.03Å; Q434-Y819 VanDerWaalsContact O-CE2 3.29Å; Q434-Y819 WeakPolarHBondContact O-CE2 3.48Å
435D91.1Very high86.8Confident39 Ų3937 Ų3721%0.20919%0.19CC..  trans-77.5136.4176.7178.6-87.3000112.1Q437 E438 F439 Y819 Y849D435-Q437 VanDerWaalsContact OD1-CA 3.29Å; D435-Q437 WeakPolarHBondContact OD1-CA 3.28Å; D435-Q437 VanDerWaalsContact OD1-CB 3.24Å; D435-Q437 WeakPolarHBondContact OD1-CB 3.46Å; D435-Q437 PolarHBondContact OD1-N 3.37Å; D435-E438 HydrophobicContact CB-CB 4.27Å; D435-E438 PolarHBondContact OD1-N 2.82Å; D435-F439 PolarHBondContact O-N 2.64Å; D435-F439 VanDerWaalsContact O-N 3.11Å; D435-Y819 PolarHBondContact OD2-OH 2.77Å; D435-Y849 PolarHBondContact OD1-OH 2.86Å; D435-Y849 WeakPolarHBondContact OD2-CE1 3.5Å; D435-Y849 PolarHBondContact OD2-OH 2.97Å
436A94.6Very high87.3Confident0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-69.7-30.3-177.800000114.1V340 F440 I807 Y819 I850V340-A436 HydrophobicContact CG2-CB 4.27Å; A436-F440 VanDerWaalsContact O-CB 3.28Å; A436-F440 WeakPolarHBondContact O-CB 3.46Å; A436-F440 PolarHBondContact O-N 3.25Å; A436-I807 HydrophobicContact CB-CG2 4.2Å; A436-Y819 HydrophobicContact CB-CD1 3.98Å; A436-Y819 HydrophobicContact CB-CE1 3.5Å; A436-Y819 HydrophobicContact CB-CE2 4.24Å; A436-Y819 PolarHBondContact N-OH 2.91Å; A436-I850 HydrophobicContact CB-CD1 3.84Å
437Q97.3Very high88.1Confident31 Ų3132.3 Ų32.315%0.14516%0.161CC..Hα-helixtrans-75-41.4178.5177.6-90.8-8.300110.6D435 F439 F440 L441 I486 Q572 Y849 I850D435-Q437 VanDerWaalsContact OD1-CA 3.29Å; D435-Q437 WeakPolarHBondContact OD1-CA 3.28Å; D435-Q437 VanDerWaalsContact OD1-CB 3.24Å; D435-Q437 WeakPolarHBondContact OD1-CB 3.46Å; D435-Q437 PolarHBondContact OD1-N 3.37Å; Q437-F439 VanDerWaalsContact C-N 3.34Å; Q437-F440 PolarHBondContact O-N 2.81Å; Q437-L441 PolarHBondContact O-N 3.06Å; Q437-I486 HydrophobicContact CG-CD1 3.66Å; Q437-Q572 HydrophobicContact CG-CG 4.38Å; Q437-Y849 HydrophobicContact CB-CE1 4.43Å; Q437-I850 HydrophobicContact CB-CD1 3.73Å; Q437-I850 HydrophobicContact CB-CG1 4.43Å
438E96.2Very high88.7Confident77 Ų7731.7 Ų31.736%0.3616%0.158SC..Hα-helixtrans-60-47173.7-167.9-177.216800110.6F428 D435 F440 L441 H442F428-E438 HydrophobicContact CE2-CG 4.47Å; F428-E438 HydrophobicContact CZ-CB 4.28Å; F428-E438 HydrophobicContact CZ-CG 3.93Å; D435-E438 HydrophobicContact CB-CB 4.27Å; D435-E438 PolarHBondContact OD1-N 2.82Å; E438-F440 PolarHBondContact O-N 3.28Å; E438-L441 PolarHBondContact O-N 3.21Å; E438-H442 WeakPolarHBondContact O-CB 3.4Å; E438-H442 PolarHBondContact O-N 3.4Å
439F97.8Very high88.8Confident1 Ų135.3 Ų35.30%0.00417%0.171CC..Hα-helixtrans-62.1-41.9176.2-177.4-100.2000113Y336 L337 V340 V341 I421 F428 D435 Q437 H442 L443Y336-F439 HydrophobicContact CD2-CB 3.82Å; Y336-F439 HydrophobicContact CD2-CD1 4.25Å; Y336-F439 AromaticContact CD2-CD2 3.84Å; Y336-F439 HydrophobicContact CD2-CD2 3.84Å; Y336-F439 HydrophobicContact CD2-CE2 4.47Å; Y336-F439 AromaticContact CD2-CG 3.69Å; Y336-F439 HydrophobicContact CD2-CG 3.69Å; Y336-F439 HydrophobicContact CE2-CB 4.3Å; Y336-F439 AromaticContact CE2-CD2 3.56Å; Y336-F439 HydrophobicContact CE2-CD2 3.56Å; Y336-F439 HydrophobicContact CE2-CE2 4Å; Y336-F439 AromaticContact CE2-CG 3.94Å; Y336-F439 HydrophobicContact CE2-CG 3.94Å; L337-F439 HydrophobicContact CB-CE1 4.02Å; L337-F439 HydrophobicContact CB-CE2 4.23Å; L337-F439 HydrophobicContact CB-CZ 3.8Å; L337-F439 HydrophobicContact CD1-CE2 4.07Å; L337-F439 HydrophobicContact CD1-CZ 3.75Å; L337-F439 HydrophobicContact CG-CE1 3.96Å; L337-F439 HydrophobicContact CG-CE2 4.18Å; L337-F439 HydrophobicContact CG-CZ 3.49Å; L337-F439 VanDerWaalsContact CG-CZ 3.49Å; V340-F439 HydrophobicContact CB-CD1 3.78Å; V340-F439 HydrophobicContact CB-CE1 4.02Å; V340-F439 HydrophobicContact CG1-CD1 3.89Å; V340-F439 HydrophobicContact CG1-CE1 4.02Å; V340-F439 HydrophobicContact CG2-CD1 3.95Å; V341-F439 HydrophobicContact CG1-CE1 4.46Å; I421-F439 HydrophobicContact CD1-CE2 3.23Å; I421-F439 HydrophobicContact CD1-CZ 3.29Å; F428-F439 AromaticContact CD1-CD2 3.72Å; F428-F439 HydrophobicContact CD1-CD2 3.72Å; F428-F439 HydrophobicContact CD1-CE2 4.48Å; F428-F439 HydrophobicContact CE1-CB 3.78Å; F428-F439 AromaticContact CE1-CD2 3.71Å; F428-F439 HydrophobicContact CE1-CD2 3.71Å; F428-F439 HydrophobicContact CE1-CG 4.26Å; F428-F439 HydrophobicContact CG-CD2 4.21Å; F428-F439 HydrophobicContact CZ-CB 3.97Å; F428-F439 HydrophobicContact CZ-CD2 4.19Å; D435-F439 PolarHBondContact O-N 2.64Å; D435-F439 VanDerWaalsContact O-N 3.11Å; Q437-F439 VanDerWaalsContact C-N 3.34Å; F439-H442 PolarHBondContact O-N 3.01Å; F439-L443 HydrophobicContact CE1-CD2 4.21Å; F439-L443 WeakPolarHBondContact O-CB 3.5Å; F439-L443 PolarHBondContact O-N 3.28Å
440F98.4Very high89.4Confident0 Ų036.1 Ų36.10%017%0.171CC..Hα-helixtrans-59.7-50.7176.1172-92.8000110.9V340 L344 A436 Q437 E438 H442 L443 I444 F461 I486 V570 F852V340-F440 HydrophobicContact CG1-CB 4.19Å; V340-F440 HydrophobicContact CG1-CD2 4.07Å; V340-F440 HydrophobicContact CG2-CB 4.25Å; L344-F440 HydrophobicContact CD2-CD2 4.49Å; L344-F440 HydrophobicContact CD2-CE2 3.98Å; A436-F440 VanDerWaalsContact O-CB 3.28Å; A436-F440 WeakPolarHBondContact O-CB 3.46Å; A436-F440 PolarHBondContact O-N 3.25Å; Q437-F440 PolarHBondContact O-N 2.81Å; E438-F440 PolarHBondContact O-N 3.28Å; F440-H442 VanDerWaalsContact C-N 3.34Å; F440-H442 PolarHBondContact O-N 3.13Å; F440-L443 PolarHBondContact O-N 3.14Å; F440-I444 HydrophobicContact CD1-CG1 4.07Å; F440-I444 HydrophobicContact CD2-CG1 4.29Å; F440-I444 HydrophobicContact CE1-CD1 4.48Å; F440-I444 HydrophobicContact CE1-CG1 3.7Å; F440-I444 HydrophobicContact CE2-CD1 3.98Å; F440-I444 HydrophobicContact CE2-CG1 3.93Å; F440-I444 HydrophobicContact CG-CG1 4.37Å; F440-I444 HydrophobicContact CZ-CD1 3.9Å; F440-I444 HydrophobicContact CZ-CG1 3.62Å; F440-I444 VanDerWaalsContact O-CG1 3.29Å; F440-I444 WeakPolarHBondContact O-CG1 3.36Å; F440-I444 PolarHBondContact O-N 3.13Å; F440-F461 HydrophobicContact CE2-CE2 4.09Å; F440-F461 HydrophobicContact CE2-CZ 4.16Å; F440-F461 HydrophobicContact CZ-CD2 4.1Å; F440-F461 HydrophobicContact CZ-CE2 4.04Å; F440-F461 HydrophobicContact CZ-CG 4.37Å; F440-F461 HydrophobicContact CZ-CZ 4.26Å; F440-I486 HydrophobicContact CD1-CD1 3.73Å; F440-I486 HydrophobicContact CD1-CG1 4.29Å; F440-I486 HydrophobicContact CE1-CD1 3.9Å; F440-I486 HydrophobicContact CE1-CG1 3.93Å; F440-V570 HydrophobicContact CE1-CG1 4.47Å; F440-V570 HydrophobicContact CE1-CG2 4.47Å; F440-V570 HydrophobicContact CZ-CG2 3.99Å; F440-F852 HydrophobicContact CD2-CE1 4.49Å; F440-F852 HydrophobicContact CD2-CZ 4.35Å; F440-F852 AromaticContact CE2-CE1 3.89Å; F440-F852 HydrophobicContact CE2-CE1 3.89Å; F440-F852 HydrophobicContact CE2-CZ 4.2Å; F440-F852 HydrophobicContact CZ-CE1 4.33Å
441L97Very high90.2Very high46 Ų4634.7 Ų34.724%0.24116%0.163CC..Hα-helixtrans-63.3-40178.3-73.7-173.3000112.3Q437 E438 L443 I444 N445 I486Q437-L441 PolarHBondContact O-N 3.06Å; E438-L441 PolarHBondContact O-N 3.21Å; L441-L443 VanDerWaalsContact C-N 3.33Å; L441-L443 PolarHBondContact O-N 3.13Å; L441-I444 PolarHBondContact O-N 2.78Å; L441-N445 WeakPolarHBondContact O-CB 3.47Å; L441-N445 PolarHBondContact O-N 3.32Å; L441-N445 PolarHBondContact O-ND2 3.07Å; L441-I486 HydrophobicContact CD1-CD1 4.4Å; L441-I486 HydrophobicContact CD2-CD1 3.65Å; L441-I486 HydrophobicContact CD2-CG1 4.12Å; L441-I486 HydrophobicContact CG-CD1 3.87Å
442H96.8Very high90.8Very high33 Ų3337.6 Ų37.615%0.15317%0.172CC..Hα-helixtrans-55.4-50.2173.8175.658.6000110.9I421 H425 F428 E438 F439 F440 N445 M446I421-H442 PolarHBondContact O-NE2 2.95Å; H425-H442 AromaticContact CD2-CE1 3.67Å; H425-H442 AromaticContact CD2-ND1 3.74Å; F428-H442 HydrophobicContact CD2-CB 4.24Å; F428-H442 AromaticContact CD2-CD2 3.5Å; F428-H442 VanDerWaalsContact CD2-CD2 3.5Å; F428-H442 WeakPolarHBondContact CD2-CD2 3.29Å; F428-H442 AromaticContact CD2-CG 3.8Å; F428-H442 AromaticContact CD2-NE2 3.96Å; F428-H442 HydrophobicContact CE2-CB 3.65Å; F428-H442 AromaticContact CE2-CD2 3.83Å; F428-H442 AromaticContact CE2-CG 3.71Å; F428-H442 HydrophobicContact CZ-CB 4.4Å; E438-H442 WeakPolarHBondContact O-CB 3.4Å; E438-H442 PolarHBondContact O-N 3.4Å; F439-H442 PolarHBondContact O-N 3.01Å; F440-H442 VanDerWaalsContact C-N 3.34Å; F440-H442 PolarHBondContact O-N 3.13Å; H442-N445 PolarHBondContact O-N 3.23Å; H442-M446 PolarHBondContact NE2-SD 3.42Å; H442-M446 VanDerWaalsContact NE2-SD 3.45Å; H442-M446 WeakPolarHBondContact O-CG 3.22Å; H442-M446 PolarHBondContact O-N 3.18Å
443L97.3Very high91.5Very high7 Ų737.8 Ų37.84%0.03719%0.189CC..Hα-helixtrans-66.5-41-179.9-172.257.5000112.7V340 V341 L344 F373 F417 I421 F439 F440 L441 N445 M446 V447V340-L443 HydrophobicContact CG1-CD2 4.49Å; V341-L443 HydrophobicContact CG1-CD2 4.29Å; L344-L443 HydrophobicContact CD1-CD2 3.42Å; L344-L443 VanDerWaalsContact CD1-CD2 3.42Å; L344-L443 HydrophobicContact CD1-CG 4.24Å; F373-L443 HydrophobicContact CE2-CD1 4.18Å; F373-L443 HydrophobicContact CZ-CD1 4.4Å; F417-L443 HydrophobicContact CZ-CD1 4.06Å; F417-L443 HydrophobicContact CZ-CD2 4.34Å; I421-L443 HydrophobicContact CG2-CD1 4.37Å; F439-L443 HydrophobicContact CE1-CD2 4.21Å; F439-L443 WeakPolarHBondContact O-CB 3.5Å; F439-L443 PolarHBondContact O-N 3.28Å; F440-L443 PolarHBondContact O-N 3.14Å; L441-L443 VanDerWaalsContact C-N 3.33Å; L441-L443 PolarHBondContact O-N 3.13Å; L443-N445 VanDerWaalsContact C-N 3.34Å; L443-N445 PolarHBondContact O-N 2.7Å; L443-M446 PolarHBondContact O-N 3.3Å; L443-V447 WeakPolarHBondContact O-CG2 3.37Å; L443-V447 PolarHBondContact O-N 3.32Å
444I96.8Very high92.3Very high0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-59.7-44.6174.2-68.3-56000110.8L344 F350 F440 L441 M446 V447 E448 N458 F461 Y485L344-I444 HydrophobicContact CD2-CD1 4.41Å; F350-I444 HydrophobicContact CZ-CD1 4.08Å; F440-I444 HydrophobicContact CD1-CG1 4.07Å; F440-I444 HydrophobicContact CD2-CG1 4.29Å; F440-I444 HydrophobicContact CE1-CD1 4.48Å; F440-I444 HydrophobicContact CE1-CG1 3.7Å; F440-I444 HydrophobicContact CE2-CD1 3.98Å; F440-I444 HydrophobicContact CE2-CG1 3.93Å; F440-I444 HydrophobicContact CG-CG1 4.37Å; F440-I444 HydrophobicContact CZ-CD1 3.9Å; F440-I444 HydrophobicContact CZ-CG1 3.62Å; F440-I444 VanDerWaalsContact O-CG1 3.29Å; F440-I444 WeakPolarHBondContact O-CG1 3.36Å; F440-I444 PolarHBondContact O-N 3.13Å; L441-I444 PolarHBondContact O-N 2.78Å; I444-M446 VanDerWaalsContact C-N 3.35Å; I444-M446 PolarHBondContact O-N 3.4Å; I444-V447 WeakPolarHBondContact O-CB 3.49Å; I444-V447 PolarHBondContact O-N 3.05Å; I444-E448 PolarHBondContact O-N 3.06Å; I444-N458 HydrophobicContact CG2-CB 4.49Å; I444-N458 PolarHBondContact O-ND2 3.06Å; I444-F461 HydrophobicContact CD1-CD2 3.74Å; I444-F461 HydrophobicContact CD1-CE2 3.73Å; I444-Y485 HydrophobicContact CG2-CD1 3.88Å; I444-Y485 HydrophobicContact CG2-CD2 4.27Å; I444-Y485 HydrophobicContact CG2-CE1 3.82Å; I444-Y485 HydrophobicContact CG2-CE2 4.24Å; I444-Y485 HydrophobicContact CG2-CG 4.08Å
445N92.4Very high92.8Very high64 Ų6439.2 Ų39.234%0.34220%0.202SC..Hα-helixtrans-68.8-32177.6-74.9-64.2000112.6L441 H442 L443 E448 R449L441-N445 WeakPolarHBondContact O-CB 3.47Å; L441-N445 PolarHBondContact O-N 3.32Å; L441-N445 PolarHBondContact O-ND2 3.07Å; H442-N445 PolarHBondContact O-N 3.23Å; L443-N445 VanDerWaalsContact C-N 3.34Å; L443-N445 PolarHBondContact O-N 2.7Å; N445-E448 PolarHBondContact O-N 3.47Å; N445-R449 WeakPolarHBondContact O-CG 3.4Å; N445-R449 PolarHBondContact O-N 3.2Å; N445-R449 VanDerWaalsContact O-N 3.12Å; N445-R449 PolarHBondContact O-NH1 3.15Å
446M94.6Very high93Very high31 Ų3137.8 Ų37.815%0.15319%0.194CC..Hα-helixtrans-64.8-41.5169.8-71.9-170.277.600111.7F373 I421 H442 L443 I444 E448 R449 N450F373-M446 HydrophobicContact CD2-CE 3.77Å; F373-M446 HydrophobicContact CE2-CB 3.76Å; F373-M446 HydrophobicContact CE2-CE 3.96Å; F373-M446 HydrophobicContact CE2-SD 4.34Å; F373-M446 HydrophobicContact CZ-CB 4.01Å; I421-M446 HydrophobicContact CB-CE 4.23Å; I421-M446 HydrophobicContact CB-SD 3.77Å; I421-M446 HydrophobicContact CG2-CE 4.02Å; I421-M446 HydrophobicContact CG2-SD 3.88Å; H442-M446 PolarHBondContact NE2-SD 3.42Å; H442-M446 VanDerWaalsContact NE2-SD 3.45Å; H442-M446 WeakPolarHBondContact O-CG 3.22Å; H442-M446 PolarHBondContact O-N 3.18Å; L443-M446 PolarHBondContact O-N 3.3Å; I444-M446 VanDerWaalsContact C-N 3.35Å; I444-M446 PolarHBondContact O-N 3.4Å; M446-E448 VanDerWaalsContact C-N 3.31Å; M446-E448 PolarHBondContact O-N 3.46Å; M446-R449 PolarHBondContact O-N 3.24Å; M446-N450 PolarHBondContact O-N 3.02Å; M446-N450 PolarHBondContact O-OD1 2.88Å; M446-N450 VanDerWaalsContact O-OD1 3.09Å
447V95.7Very high93.1Very high3 Ų337.8 Ų37.82%0.01819%0.194CC..Hα-helixtrans-61.2-42.1173.8171.60000111F350 F373 L443 I444 R449 N450 C451 P457 N458F350-V447 HydrophobicContact CE1-CG2 4.3Å; F373-V447 HydrophobicContact CE1-CG2 4.13Å; F373-V447 HydrophobicContact CZ-CG2 3.74Å; L443-V447 WeakPolarHBondContact O-CG2 3.37Å; L443-V447 PolarHBondContact O-N 3.32Å; I444-V447 WeakPolarHBondContact O-CB 3.49Å; I444-V447 PolarHBondContact O-N 3.05Å; V447-R449 PolarHBondContact O-N 3.23Å; V447-N450 CarbonylContact O-C 3.55Å; V447-N450 PolarHBondContact O-N 2.81Å; V447-C451 VanDerWaalsContact O-CB 3.23Å; V447-C451 WeakPolarHBondContact O-CB 3.37Å; V447-C451 PolarHBondContact O-N 3.45Å; V447-C451 PolarHBondContact O-SG 3.47Å; V447-P457 HydrophobicContact CG1-CG 3.77Å; V447-N458 VanDerWaalsContact CG1-OD1 3.26Å; V447-N458 WeakPolarHBondContact CG1-OD1 3.34Å
448E91.1Very high93.1Very high34 Ų3436.3 Ų36.316%0.15919%0.187CC..Hα-helixtrans-59-47.5179.2-162.165.2-137.800111.2I444 N445 M446 N450 C451 R452 N456 N458 R462 Y485 F760I444-E448 PolarHBondContact O-N 3.06Å; N445-E448 PolarHBondContact O-N 3.47Å; M446-E448 VanDerWaalsContact C-N 3.31Å; M446-E448 PolarHBondContact O-N 3.46Å; E448-N450 PolarHBondContact O-N 3.03Å; E448-C451 PolarHBondContact O-N 3.32Å; E448-R452 PolarHBondContact O-N 2.99Å; E448-N456 PolarHBondContact OE1-ND2 3.12Å; E448-N456 PolarHBondContact OE2-ND2 3.41Å; E448-N458 PolarHBondContact N-ND2 3.1Å; E448-N458 PolarHBondContact OE2-ND2 3.38Å; E448-R462 IonicContact OE1-CZ 3.28Å; E448-R462 IonicContact OE1-NH2 2.59Å; E448-R462 PolarHBondContact OE1-NH2 3.49Å; E448-R462 IonicContact OE2-CZ 3.04Å; E448-R462 IonicContact OE2-NH2 2.71Å; E448-R462 PolarHBondContact OE2-NH2 2.92Å; E448-Y485 PolarHBondContact OE2-OH 2.87Å; E448-Y485 VanDerWaalsContact OE2-OH 3.08Å; E448-F760 HydrophobicContact CG-CD1 4.38Å; E448-F760 HydrophobicContact CG-CE1 4.37Å
449R89.1Confident93.1Very high79 Ų7934.9 Ų34.930%0.29818%0.181SC..Hα-helixtrans-59.4-34.8177.7-72.1177.7-176.998.7-4.1112.9N445 M446 V447 D757 F760N445-R449 WeakPolarHBondContact O-CG 3.4Å; N445-R449 PolarHBondContact O-N 3.2Å; N445-R449 VanDerWaalsContact O-N 3.12Å; N445-R449 PolarHBondContact O-NH1 3.15Å; M446-R449 PolarHBondContact O-N 3.24Å; V447-R449 PolarHBondContact O-N 3.23Å; R449-D757 IonicContact NH2-OD1 2.74Å; R449-D757 PolarHBondContact NH2-OD1 2.77Å; R449-F760 HydrophobicContact CB-CE2 4.47Å; R449-F760 HydrophobicContact CB-CZ 4.31Å; R449-F760 HydrophobicContact CG-CD2 4.41Å; R449-F760 HydrophobicContact CG-CE2 3.99Å; R449-F760 HydrophobicContact CG-CZ 4.17Å
450N90.9Very high93.1Very high72 Ų7234.9 Ų34.939%0.38518%0.181SC..Hα-helixtrans-95.7-4.3-175.8-72.362000114F373 M446 V447 E448F373-N450 WeakPolarHBondContact CB-ND2 3.48Å; F373-N450 HydrophobicContact CD1-CB 3.6Å; F373-N450 HydrophobicContact CE1-CB 3.94Å; F373-N450 HydrophobicContact CG-CB 4.48Å; M446-N450 PolarHBondContact O-N 3.02Å; M446-N450 PolarHBondContact O-OD1 2.88Å; M446-N450 VanDerWaalsContact O-OD1 3.09Å; V447-N450 CarbonylContact O-C 3.55Å; V447-N450 PolarHBondContact O-N 2.81Å; E448-N450 PolarHBondContact O-N 3.03Å
451C90.8Very high93.1Very high1 Ų134.9 Ų34.91%0.00718%0.181CC..Hα-helixtrans-118.96.4-176.1-65.70000115V447 E448 S453 S454 N456V447-C451 VanDerWaalsContact O-CB 3.23Å; V447-C451 WeakPolarHBondContact O-CB 3.37Å; V447-C451 PolarHBondContact O-N 3.45Å; V447-C451 PolarHBondContact O-SG 3.47Å; E448-C451 PolarHBondContact O-N 3.32Å; C451-S453 PolarHBondContact O-N 3.34Å; C451-S454 CarbonylContact O-C 3.58Å; C451-S454 PolarHBondContact O-N 3.04Å; C451-S454 VanDerWaalsContact O-N 3.1Å; C451-N456 HydrophobicContact CB-CB 3.8Å
452R82.8Confident93.1Very high84 Ų8433.4 Ų33.432%0.31717%0.172SC..THydrogen-bonded Turntrans-47.1-51.2-174.517254.7-168.1159.7-13.4115E448 F736 F760 I763 D767E448-R452 PolarHBondContact O-N 2.99Å; R452-F736 HydrophobicContact CG-CZ 4.41Å; R452-F760 HydrophobicContact CB-CE1 4.44Å; R452-F760 HydrophobicContact CB-CZ 4.48Å; R452-I763 VanDerWaalsContact NH2-CD1 3.31Å; R452-D767 IonicContact NH2-OD2 3.68Å; R452-D767 PolarHBondContact NH2-OD2 3.38Å
453S80.7Confident93.1Very high104 Ų10431.9 Ų31.973%0.72717%0.165SC*.THydrogen-bonded Turntrans-95.32.7-174.859.50000114.1C451C451-S453 PolarHBondContact O-N 3.34Å
454S87.4Confident93.1Very high58 Ų5832.8 Ų32.841%0.40617%0.169SC..SBendtrans-128.8-178.2-174.769.90000110.9K353 C451 N456K353-S454 PolarHBondContact NZ-OG 2.87Å; C451-S454 CarbonylContact O-C 3.58Å; C451-S454 PolarHBondContact O-N 3.04Å; C451-S454 VanDerWaalsContact O-N 3.1Å; S454-N456 PolarHBondContact O-N 2.93Å
455E90.2Very high93.1Very high60 Ų6032.8 Ų32.828%0.2817%0.17SC..  trans-54.3126.4172.4178.1-176.3-144.400110.4K353 K357K353-E455 HydrophobicContact CD-CB 4.35Å; K353-E455 HydrophobicContact CD-CG 4.49Å; K353-E455 WeakPolarHBondContact CD-O 3.28Å; K353-E455 WeakPolarHBondContact CE-O 3.44Å; K353-E455 PolarHBondContact NZ-O 3.33Å; K357-E455 IonicContact NZ-OE1 2.71Å; K357-E455 IonicContact NZ-OE2 3.19Å; K357-E455 PolarHBondContact NZ-OE2 2.94Å
456N94.8Very high93.4Very high8 Ų830.3 Ų30.34%0.04316%0.156CC..  trans-113.3110.6-178.7-174.2-8.7000110E448 C451 S454 N458 E459 R462E448-N456 PolarHBondContact OE1-ND2 3.12Å; E448-N456 PolarHBondContact OE2-ND2 3.41Å; C451-N456 HydrophobicContact CB-CB 3.8Å; S454-N456 PolarHBondContact O-N 2.93Å; N456-N458 PolarHBondContact O-N 3.31Å; N456-N458 WeakPolarHBondContact OD1-CB 3.5Å; N456-N458 PolarHBondContact OD1-N 3.4Å; N456-E459 WeakPolarHBondContact O-CG 3.39Å; N456-E459 PolarHBondContact O-N 3.32Å; N456-R462 PolarHBondContact ND2-NH2 3.08Å
457P97.1Very high93.4Very high1 Ų130.3 Ų30.31%0.00616%0.156CC..G310 helixtrans-70-14.2-179.531.4-35.4000112.5D349 F350 K353 Y354 V447 E459 V460D349-P457 HydrophobicContact CB-CB 4.14Å; F350-P457 HydrophobicContact CD1-CB 4.27Å; F350-P457 HydrophobicContact CD1-CG 4.14Å; F350-P457 HydrophobicContact CD2-CB 3.91Å; F350-P457 HydrophobicContact CE1-CB 4.26Å; F350-P457 HydrophobicContact CE1-CG 3.94Å; F350-P457 HydrophobicContact CE2-CB 3.87Å; F350-P457 HydrophobicContact CE2-CG 4.39Å; F350-P457 HydrophobicContact CG-CB 4.09Å; F350-P457 HydrophobicContact CG-CG 4.45Å; F350-P457 HydrophobicContact CZ-CB 4.05Å; F350-P457 HydrophobicContact CZ-CG 4.06Å; K353-P457 HydrophobicContact CB-CB 4.31Å; K353-P457 HydrophobicContact CB-CG 4.19Å; K353-P457 HydrophobicContact CG-CG 4.05Å; Y354-P457 HydrophobicContact CE2-CG 3.93Å; V447-P457 HydrophobicContact CG1-CG 3.77Å; P457-E459 PolarHBondContact O-N 3.15Å; P457-V460 WeakPolarHBondContact O-CB 3.44Å; P457-V460 WeakPolarHBondContact O-CG1 3.29Å; P457-V460 PolarHBondContact O-N 2.9Å
458N97Very high93.4Very high0 Ų032.3 Ų32.30%016%0.164CC..G310 helixtrans-63.7-19.9176-67.5-13.7000113.5I444 V447 E448 N456 V460 F461 R462 Y485I444-N458 HydrophobicContact CG2-CB 4.49Å; I444-N458 PolarHBondContact O-ND2 3.06Å; V447-N458 VanDerWaalsContact CG1-OD1 3.26Å; V447-N458 WeakPolarHBondContact CG1-OD1 3.34Å; E448-N458 PolarHBondContact N-ND2 3.1Å; E448-N458 PolarHBondContact OE2-ND2 3.38Å; N456-N458 PolarHBondContact O-N 3.31Å; N456-N458 WeakPolarHBondContact OD1-CB 3.5Å; N456-N458 PolarHBondContact OD1-N 3.4Å; N458-V460 PolarHBondContact O-N 3.26Å; N458-V460 VanDerWaalsContact O-N 3.09Å; N458-F461 PolarHBondContact O-N 2.94Å; N458-R462 PolarHBondContact O-N 3.45Å; N458-Y485 HydrophobicContact CB-CE1 4.04Å
459E96.1Very high93.6Very high47 Ų4732.8 Ų32.822%0.2217%0.167CC..G310 helixtrans-55.5-24.4173.7-69.1174.1-169.800112.9N456 P457 F461 R795N456-E459 WeakPolarHBondContact O-CG 3.39Å; N456-E459 PolarHBondContact O-N 3.32Å; P457-E459 PolarHBondContact O-N 3.15Å; E459-F461 VanDerWaalsContact C-N 3.26Å; E459-F461 PolarHBondContact O-N 2.81Å; E459-R795 IonicContact OE2-CZ 2.77Å; E459-R795 IonicContact OE2-NE 2.8Å; E459-R795 PolarHBondContact OE2-NE 2.77Å; E459-R795 VanDerWaalsContact OE2-NE 3.17Å; E459-R795 IonicContact OE2-NH2 2.68Å; E459-R795 PolarHBondContact OE2-NH2 3.31Å
460V98Very high93.9Very high0 Ų032.4 Ų32.40%017%0.168CC..G310 helixtrans-65.2-30.3177.379.90000112.5I347 D349 F350 P457 N458 D567 Y568I347-V460 HydrophobicContact CG2-CG1 4.31Å; I347-V460 HydrophobicContact CG2-CG2 4.07Å; D349-V460 HydrophobicContact CB-CB 4.4Å; F350-V460 HydrophobicContact CE2-CG1 4.06Å; P457-V460 WeakPolarHBondContact O-CB 3.44Å; P457-V460 WeakPolarHBondContact O-CG1 3.29Å; P457-V460 PolarHBondContact O-N 2.9Å; N458-V460 PolarHBondContact O-N 3.26Å; N458-V460 VanDerWaalsContact O-N 3.09Å; V460-D567 HydrophobicContact CG2-CB 3.65Å; V460-D567 PolarHBondContact O-N 3.28Å; V460-Y568 HydrophobicContact CG2-CD2 3.35Å; V460-Y568 HydrophobicContact CG2-CE2 4.02Å; V460-Y568 HydrophobicContact CG2-CG 4.14Å; V460-Y568 PolarHBondContact O-N 3.47Å
461F98.3Very high94.1Very high0 Ų029 Ų290%015%0.149CC..THydrogen-bonded Turntrans-103.5-28.2-178.1-58.3-56.6000112.9L344 I347 F350 F440 I444 N458 E459 F463 Y485 P566 V570 F852L344-F461 HydrophobicContact CD2-CE2 3.74Å; L344-F461 HydrophobicContact CD2-CZ 3.81Å; I347-F461 HydrophobicContact CD1-CE1 3.58Å; I347-F461 HydrophobicContact CD1-CE2 4.48Å; I347-F461 HydrophobicContact CD1-CZ 3.31Å; F350-F461 HydrophobicContact CE2-CD2 4.25Å; F350-F461 AromaticContact CE2-CE2 3.45Å; F350-F461 HydrophobicContact CE2-CE2 3.45Å; F350-F461 VanDerWaalsContact CE2-CE2 3.45Å; F350-F461 HydrophobicContact CE2-CZ 4.11Å; F350-F461 AromaticContact CZ-CE2 3.81Å; F350-F461 HydrophobicContact CZ-CE2 3.81Å; F440-F461 HydrophobicContact CE2-CE2 4.09Å; F440-F461 HydrophobicContact CE2-CZ 4.16Å; F440-F461 HydrophobicContact CZ-CD2 4.1Å; F440-F461 HydrophobicContact CZ-CE2 4.04Å; F440-F461 HydrophobicContact CZ-CG 4.37Å; F440-F461 HydrophobicContact CZ-CZ 4.26Å; I444-F461 HydrophobicContact CD1-CD2 3.74Å; I444-F461 HydrophobicContact CD1-CE2 3.73Å; N458-F461 PolarHBondContact O-N 2.94Å; E459-F461 VanDerWaalsContact C-N 3.26Å; E459-F461 PolarHBondContact O-N 2.81Å; F461-F463 WeakPolarHBondContact O-CD1 3.45Å; F461-F463 PolarHBondContact O-N 3.01Å; F461-Y485 HydrophobicContact CB-CD1 4.04Å; F461-P566 WeakPolarHBondContact O-CB 3.45Å; F461-V570 HydrophobicContact CD1-CG2 3.54Å; F461-V570 HydrophobicContact CE1-CG2 3.88Å; F461-V570 HydrophobicContact CG-CG2 4.26Å; F461-F852 HydrophobicContact CE1-CD1 4.18Å; F461-F852 HydrophobicContact CE1-CE1 4.27Å; F461-F852 HydrophobicContact CZ-CE1 4.49Å
462R97.6Very high94.3Very high15 Ų1533.4 Ų33.46%0.05717%0.173CC..  trans-64.9127.8-171.5-163.8-174.3-63.2121.92.4111.3E448 N456 N458 V483 Y485 K793 V794E448-R462 IonicContact OE1-CZ 3.28Å; E448-R462 IonicContact OE1-NH2 2.59Å; E448-R462 PolarHBondContact OE1-NH2 3.49Å; E448-R462 IonicContact OE2-CZ 3.04Å; E448-R462 IonicContact OE2-NH2 2.71Å; E448-R462 PolarHBondContact OE2-NH2 2.92Å; N456-R462 PolarHBondContact ND2-NH2 3.08Å; N458-R462 PolarHBondContact O-N 3.45Å; R462-V483 HydrophobicContact CG-CG1 3.44Å; R462-V483 VanDerWaalsContact CG-CG1 3.44Å; R462-Y485 HydrophobicContact CB-CD1 4.18Å; R462-Y485 HydrophobicContact CB-CE1 3.8Å; R462-Y485 HydrophobicContact CG-CE1 3.96Å; R462-Y485 PolarHBondContact NE-OH 3.12Å; R462-K793 PolarHBondContact NH1-O 3.29Å; R462-V794 HydrophobicContact CB-CG1 4.5Å; R462-V794 HydrophobicContact CG-CG1 4Å
463F97.3Very high94.8Very high1 Ų132.6 Ų32.60%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-139167.4174.167.9-88.5000112.2F461 V465 V483 D484 F562 P566F461-F463 WeakPolarHBondContact O-CD1 3.45Å; F461-F463 PolarHBondContact O-N 3.01Å; F463-V465 HydrophobicContact CD2-CG2 4.1Å; F463-V465 HydrophobicContact CE2-CG2 3.5Å; F463-V465 VanDerWaalsContact CE2-CG2 3.5Å; F463-V465 HydrophobicContact CZ-CG2 4.36Å; F463-V483 WeakPolarHBondContact O-CA 3.43Å; F463-D484 WeakPolarHBondContact CD1-O 3.45Å; F463-D484 HydrophobicContact CE1-CB 4.17Å; F463-D484 HydrophobicContact CE2-CB 4.03Å; F463-D484 HydrophobicContact CZ-CB 3.77Å; F463-D484 PolarHBondContact N-O 3.34Å; F463-D484 PolarHBondContact O-N 2.8Å; F463-F562 AromaticContact CD2-CD1 3.52Å; F463-F562 HydrophobicContact CD2-CD1 3.52Å; F463-F562 AromaticContact CD2-CE1 3.62Å; F463-F562 HydrophobicContact CD2-CE1 3.62Å; F463-F562 HydrophobicContact CE1-CE1 4.46Å; F463-F562 AromaticContact CE2-CD1 3.62Å; F463-F562 HydrophobicContact CE2-CD1 3.62Å; F463-F562 AromaticContact CE2-CE1 3.29Å; F463-F562 HydrophobicContact CE2-CE1 3.29Å; F463-F562 HydrophobicContact CE2-CZ 4.27Å; F463-F562 HydrophobicContact CG-CD1 4.34Å; F463-F562 HydrophobicContact CG-CE1 4.33Å; F463-F562 AromaticContact CZ-CE1 3.78Å; F463-F562 HydrophobicContact CZ-CE1 3.78Å; F463-P566 HydrophobicContact CB-CB 4.16Å; F463-P566 HydrophobicContact CB-CG 4.07Å; F463-P566 HydrophobicContact CD1-CG 3.95Å; F463-P566 HydrophobicContact CG-CG 4.29Å
464L97.2Very high95.4Very high26 Ų2629.6 Ų29.614%0.13616%0.161CC..EExtended strand (participates in β ladder)trans-102.6128.5176.7-69.2173.6000110.3V483 A563 S564 P792 V794L464-V483 HydrophobicContact CD2-CG2 3.94Å; L464-A563 HydrophobicContact CB-CB 3.68Å; L464-A563 PolarHBondContact O-N 3.46Å; L464-S564 PolarHBondContact N-OG 3.47Å; L464-S564 PolarHBondContact O-N 3.41Å; L464-P792 HydrophobicContact CD2-CG 4.05Å; L464-V794 HydrophobicContact CD1-CG2 3.9Å; L464-V794 HydrophobicContact CG-CG1 4.08Å; L464-V794 HydrophobicContact CG-CG2 4.13Å
465V97Very high95.8Very high1 Ų133.9 Ų33.91%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-93.1131.6168.9179.30000108.3F463 E467 Q481 R482 D484 T560 R561F463-V465 HydrophobicContact CD2-CG2 4.1Å; F463-V465 HydrophobicContact CE2-CG2 3.5Å; F463-V465 VanDerWaalsContact CE2-CG2 3.5Å; F463-V465 HydrophobicContact CZ-CG2 4.36Å; V465-E467 HydrophobicContact CG1-CG 3.97Å; V465-Q481 VanDerWaalsContact O-CA 3.24Å; V465-Q481 WeakPolarHBondContact O-CA 3.49Å; V465-R482 HydrophobicContact CB-CG 3.86Å; V465-R482 HydrophobicContact CG1-CG 4.42Å; V465-R482 PolarHBondContact N-O 3.3Å; V465-R482 PolarHBondContact O-N 2.95Å; V465-D484 HydrophobicContact CG2-CB 3.88Å; V465-T560 HydrophobicContact CG1-CG2 3.47Å; V465-T560 VanDerWaalsContact CG1-CG2 3.47Å; V465-R561 WeakPolarHBondContact CA-O 3.44Å
466E97.3Very high96Very high12 Ų1233.5 Ų33.56%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-96.8120.1167.1-178.9178.1103.200108.7Y479 T560 R561 A563 G604 T605 G606E466-Y479 HydrophobicContact CG-CD1 3.92Å; E466-T560 WeakPolarHBondContact O-CA 3.5Å; E466-R561 HydrophobicContact CB-CB 4.35Å; E466-R561 PolarHBondContact N-O 2.92Å; E466-R561 PolarHBondContact O-N 2.89Å; E466-A563 HydrophobicContact CB-CB 4.16Å; E466-G604 VanDerWaalsContact OE1-CA 3.24Å; E466-G604 WeakPolarHBondContact OE1-CA 3.4Å; E466-T605 PolarHBondContact OE1-N 3.24Å; E466-T605 PolarHBondContact OE2-N 2.91Å; E466-G606 PolarHBondContact OE1-N 3.31Å; E466-G606 WeakPolarHBondContact OE2-CA 3.44Å; E466-G606 PolarHBondContact OE2-N 3.48Å
467E95Very high96.1Very high31 Ų3133.1 Ų33.115%0.14517%0.17CC..EExtended strand (participates in β ladder)trans-109.4118.9172-64.7-166.5161.200109.8V465 Y479 T480 R482 K558V465-E467 HydrophobicContact CG1-CG 3.97Å; E467-Y479 CarbonylContact O-C 3.57Å; E467-Y479 WeakPolarHBondContact O-CA 3.23Å; E467-T480 PolarHBondContact N-O 2.92Å; E467-T480 PolarHBondContact O-N 3.5Å; E467-T480 PolarHBondContact O-OG1 3.49Å; E467-R482 IonicContact OE1-CZ 3.91Å; E467-R482 IonicContact OE1-NE 3.32Å; E467-R482 PolarHBondContact OE1-NE 2.95Å; E467-R482 IonicContact OE1-NH2 3.02Å; E467-K558 IonicContact OE1-NZ 3.48Å; E467-K558 PolarHBondContact OE1-NZ 3.3Å; E467-K558 VanDerWaalsContact OE2-CE 3.28Å; E467-K558 WeakPolarHBondContact OE2-CE 3.3Å; E467-K558 IonicContact OE2-NZ 2.93Å; E467-K558 PolarHBondContact OE2-NZ 3.2Å
468K96.5Very high95.9Very high44 Ų4437 Ų3719%0.19119%0.187CC..EExtended strand (participates in β ladder)trans-103.5124.8175.7179.1-178.2-175.21600109.6K478 Y479 K558 T559 E611K468-K478 WeakPolarHBondContact CA-O 3.28Å; K468-Y479 HydrophobicContact CB-CD1 4.01Å; K468-Y479 HydrophobicContact CB-CE1 3.82Å; K468-Y479 HydrophobicContact CD-CE1 3.72Å; K468-Y479 WeakPolarHBondContact CD-OH 3.2Å; K468-Y479 WeakPolarHBondContact CE-OH 3.36Å; K468-Y479 HydrophobicContact CG-CD1 4.25Å; K468-Y479 HydrophobicContact CG-CE1 3.77Å; K468-Y479 HydrophobicContact CG-CE2 4.41Å; K468-Y479 PolarHBondContact NZ-OH 3.26Å; K468-K558 CarbonylContact O-C 3.42Å; K468-K558 WeakPolarHBondContact O-CA 3.31Å; K468-T559 PolarHBondContact N-O 2.81Å; K468-T559 PolarHBondContact O-N 3.38Å; K468-E611 IonicContact NZ-OE1 3.44Å; K468-E611 PolarHBondContact NZ-OE1 3.49Å; K468-E611 IonicContact NZ-OE2 2.6Å
469I94.8Very high95.7Very high44 Ų4439 Ų3923%0.22620%0.195CC..EExtended strand (participates in β ladder)trans-109.2127.9169.5-59.9175.3000107.7V477 K478 F545 A556I469-V477 CarbonylContact O-C 3.47Å; I469-V477 VanDerWaalsContact O-CA 3.23Å; I469-V477 WeakPolarHBondContact O-CA 3.45Å; I469-K478 PolarHBondContact N-O 3.46Å; I469-K478 PolarHBondContact O-N 2.97Å; I469-F545 HydrophobicContact CG2-CD2 4.43Å; I469-F545 HydrophobicContact CG2-CE2 3.82Å; I469-F545 HydrophobicContact CG2-CZ 3.9Å; I469-A556 HydrophobicContact CG2-CB 3.93Å
470K96.2Very high95.5Very high71 Ų7139.4 Ų39.431%0.30920%0.201SC..EExtended strand (participates in β ladder)trans-120.7124.4174.5-176.4172.565.1168.80110.2L472 K476 V477 A556 V557K470-L472 PolarHBondContact O-N 2.97Å; K470-K476 WeakPolarHBondContact CA-O 3.33Å; K470-V477 HydrophobicContact CB-CG1 4.01Å; K470-V477 HydrophobicContact CD-CG1 4.14Å; K470-V477 HydrophobicContact CG-CG1 3.86Å; K470-A556 CarbonylContact O-C 3.53Å; K470-A556 VanDerWaalsContact O-CA 3.27Å; K470-A556 WeakPolarHBondContact O-CA 3.45Å; K470-V557 PolarHBondContact N-O 2.88Å; K470-V557 PolarHBondContact O-N 3.45Å
471C94.9Very high95.3Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-70.7122.6169.9179.50000109.1A473 T474 E475 K476 F545 S547 L614C471-A473 VanDerWaalsContact C-N 3.26Å; C471-A473 PolarHBondContact O-N 2.95Å; C471-T474 WeakPolarHBondContact CB-OG1 3.27Å; C471-E475 VanDerWaalsContact O-CA 3.3Å; C471-E475 WeakPolarHBondContact O-CA 3.48Å; C471-E475 PolarHBondContact O-N 3.23Å; C471-K476 PolarHBondContact N-O 3.31Å; C471-F545 HydrophobicContact CB-CE1 4.25Å; C471-S547 PolarHBondContact SG-OG 3.19Å; C471-L614 HydrophobicContact CB-CD2 4.06Å
472L94.4Very high95Very high95 Ų9550 Ų5050%0.49725%0.246SC..THydrogen-bonded Turntrans-70.6-24.7-172.8-164.360.9000113K470 V555 V557K470-L472 PolarHBondContact O-N 2.97Å; L472-V555 HydrophobicContact CD2-CG1 4.28Å; L472-V555 PolarHBondContact N-O 3.07Å; L472-V555 VanDerWaalsContact N-O 3.13Å; L472-V557 HydrophobicContact CD1-CG2 3.92Å
473A93.5Very high94.9Very high66 Ų6651.7 Ų51.755%0.54526%0.258SS..THydrogen-bonded Turntrans-83.2-37.8-178.500000113.7C471 L550C471-A473 VanDerWaalsContact C-N 3.26Å; C471-A473 PolarHBondContact O-N 2.95Å; A473-L550 HydrophobicContact CB-CD1 3.62Å; A473-L550 HydrophobicContact CB-CG 4.49Å
474T93.4Very high94.8Very high42 Ų4253.2 Ų53.226%0.25827%0.266SS..THydrogen-bonded Turntrans-105-6-176.359.60000113.4C471 K476 A549 L550C471-T474 WeakPolarHBondContact CB-OG1 3.27Å; T474-K476 PolarHBondContact O-N 3.4Å; T474-A549 HydrophobicContact CG2-CB 4.09Å; T474-L550 HydrophobicContact CG2-CD1 4.5Å; T474-L550 HydrophobicContact CG2-CD2 3.57Å; T474-L550 HydrophobicContact CG2-CG 3.69Å
475E95.5Very high94.8Very high148 Ų14853.3 Ų53.369%0.69227%0.265SS*.  trans58.8-3.2-172.2-56.5-163.3150.200116.2C471C471-E475 VanDerWaalsContact O-CA 3.3Å; C471-E475 WeakPolarHBondContact O-CA 3.48Å; C471-E475 PolarHBondContact O-N 3.23Å
476K93.9Very high94.9Very high51 Ų5153.4 Ų53.422%0.22227%0.265CS..  trans-62.2146.4174.8-63.7-172.2173.4-166.30112.9K470 C471 T474 A549 E612 L614K470-K476 WeakPolarHBondContact CA-O 3.33Å; C471-K476 PolarHBondContact N-O 3.31Å; T474-K476 PolarHBondContact O-N 3.4Å; K476-A549 HydrophobicContact CD-CB 3.73Å; K476-E612 CarbonylContact C-O 3.38Å; K476-E612 WeakPolarHBondContact CA-O 3.24Å; K476-E612 WeakPolarHBondContact CB-O 3.39Å; K476-E612 WeakPolarHBondContact CE-OE2 3.23Å; K476-E612 HydrophobicContact CG-CB 3.99Å; K476-E612 IonicContact NZ-OE2 2.74Å; K476-L614 HydrophobicContact CB-CD2 3.68Å; K476-L614 HydrophobicContact CB-CG 3.85Å
477V96.1Very high94.9Very high1 Ų153 Ų531%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-123.8157.8-170.7-61.10000113I469 K470 Y479 L607 E611 E612 E613 L614I469-V477 CarbonylContact O-C 3.47Å; I469-V477 VanDerWaalsContact O-CA 3.23Å; I469-V477 WeakPolarHBondContact O-CA 3.45Å; K470-V477 HydrophobicContact CB-CG1 4.01Å; K470-V477 HydrophobicContact CD-CG1 4.14Å; K470-V477 HydrophobicContact CG-CG1 3.86Å; V477-Y479 HydrophobicContact CB-CE2 4.16Å; V477-Y479 HydrophobicContact CG2-CD2 4.26Å; V477-Y479 HydrophobicContact CG2-CE2 3.71Å; V477-L607 HydrophobicContact CG2-CD1 3.67Å; V477-E611 HydrophobicContact CG2-CB 3.81Å; V477-E612 PolarHBondContact N-O 2.89Å; V477-E613 CarbonylContact O-C 3.56Å; V477-E613 VanDerWaalsContact O-CA 3.26Å; V477-E613 WeakPolarHBondContact O-CA 3.42Å; V477-L614 PolarHBondContact O-N 3.18Å
478K93.2Very high95Very high82 Ų8255.2 Ų55.236%0.35727%0.274SS..EExtended strand (participates in β ladder)trans-137.3131.1165.9-175.3164.3-175.7153.10108.6K468 I469 L614 D616K468-K478 WeakPolarHBondContact CA-O 3.28Å; I469-K478 PolarHBondContact N-O 3.46Å; I469-K478 PolarHBondContact O-N 2.97Å; K478-L614 HydrophobicContact CB-CB 4.48Å; K478-L614 HydrophobicContact CB-CD1 4.11Å; K478-D616 IonicContact NZ-OD1 3.94Å; K478-D616 PolarHBondContact NZ-OD1 3.1Å
479Y94.1Very high95.1Very high41 Ų4153.1 Ų53.116%0.16127%0.265CS..EExtended strand (participates in β ladder)trans-105.4136.2174.4-68.7-97.4000109.2E466 E467 K468 V477 G606 L607 E611E466-Y479 HydrophobicContact CG-CD1 3.92Å; E467-Y479 CarbonylContact O-C 3.57Å; E467-Y479 WeakPolarHBondContact O-CA 3.23Å; K468-Y479 HydrophobicContact CB-CD1 4.01Å; K468-Y479 HydrophobicContact CB-CE1 3.82Å; K468-Y479 HydrophobicContact CD-CE1 3.72Å; K468-Y479 WeakPolarHBondContact CD-OH 3.2Å; K468-Y479 WeakPolarHBondContact CE-OH 3.36Å; K468-Y479 HydrophobicContact CG-CD1 4.25Å; K468-Y479 HydrophobicContact CG-CE1 3.77Å; K468-Y479 HydrophobicContact CG-CE2 4.41Å; K468-Y479 PolarHBondContact NZ-OH 3.26Å; V477-Y479 HydrophobicContact CB-CE2 4.16Å; V477-Y479 HydrophobicContact CG2-CD2 4.26Å; V477-Y479 HydrophobicContact CG2-CE2 3.71Å; Y479-G606 PolarHBondContact OH-O 3.48Å; Y479-L607 HydrophobicContact CD2-CB 4.08Å; Y479-L607 HydrophobicContact CD2-CD1 4.1Å; Y479-L607 HydrophobicContact CE2-CB 4.07Å; Y479-L607 HydrophobicContact CE2-CD1 3.79Å; Y479-E611 WeakPolarHBondContact CE2-OE2 3.46Å; Y479-E611 PolarHBondContact OH-OE1 2.77Å; Y479-E611 PolarHBondContact OH-OE2 3.1Å
480T92.1Very high95.2Very high56 Ų5652.8 Ų52.834%0.34427%0.265SS..EExtended strand (participates in β ladder)trans-131.2149.5173.450.20000108.8E467E467-T480 PolarHBondContact N-O 2.92Å; E467-T480 PolarHBondContact O-N 3.5Å; E467-T480 PolarHBondContact O-OG1 3.49Å
481Q92.9Very high95.2Very high124 Ų12450.2 Ų50.258%0.57926%0.256SS*.EExtended strand (participates in β ladder)trans-120.4143.5175.9-68.7-174.4-11.600109.8V465V465-Q481 VanDerWaalsContact O-CA 3.24Å; V465-Q481 WeakPolarHBondContact O-CA 3.49Å
482R92.3Very high95.3Very high99 Ų9952 Ų5237%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-142150.4174.763.6-178-174.975.71.6110.8V465 E467 D484V465-R482 HydrophobicContact CB-CG 3.86Å; V465-R482 HydrophobicContact CG1-CG 4.42Å; V465-R482 PolarHBondContact N-O 3.3Å; V465-R482 PolarHBondContact O-N 2.95Å; E467-R482 IonicContact OE1-CZ 3.91Å; E467-R482 IonicContact OE1-NE 3.32Å; E467-R482 PolarHBondContact OE1-NE 2.95Å; E467-R482 IonicContact OE1-NH2 3.02Å; R482-D484 IonicContact CZ-OD2 2.66Å; R482-D484 IonicContact NH1-OD2 2.91Å; R482-D484 PolarHBondContact NH1-OD2 3.14Å; R482-D484 IonicContact NH2-OD2 3.29Å
483V94.4Very high95.2Very high50 Ų5050.9 Ų50.930%0.30326%0.26SS..EExtended strand (participates in β ladder)trans-78.1140.4173.4176.20000109.7R462 F463 L464 P792R462-V483 HydrophobicContact CG-CG1 3.44Å; R462-V483 VanDerWaalsContact CG-CG1 3.44Å; F463-V483 WeakPolarHBondContact O-CA 3.43Å; L464-V483 HydrophobicContact CD2-CG2 3.94Å; V483-P792 HydrophobicContact CG2-CB 3.71Å; V483-P792 HydrophobicContact CG2-CG 3.38Å
484D96.3Very high95.2Very high34 Ų3454.5 Ų54.518%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-144.2165.7170.1-147.7-37.3000110.7F463 V465 R482 I486F463-D484 WeakPolarHBondContact CD1-O 3.45Å; F463-D484 HydrophobicContact CE1-CB 4.17Å; F463-D484 HydrophobicContact CE2-CB 4.03Å; F463-D484 HydrophobicContact CZ-CB 3.77Å; F463-D484 PolarHBondContact N-O 3.34Å; F463-D484 PolarHBondContact O-N 2.8Å; V465-D484 HydrophobicContact CG2-CB 3.88Å; R482-D484 IonicContact CZ-OD2 2.66Å; R482-D484 IonicContact NH1-OD2 2.91Å; R482-D484 PolarHBondContact NH1-OD2 3.14Å; R482-D484 IonicContact NH2-OD2 3.29Å; D484-I486 PolarHBondContact OD1-N 2.59Å
485Y97.7Very high95.3Very high28 Ų2853.9 Ų53.911%0.1127%0.269CS..SBendtrans-121.4-18.2176.2-61.3-83.1000112I444 E448 N458 F461 R462I444-Y485 HydrophobicContact CG2-CD1 3.88Å; I444-Y485 HydrophobicContact CG2-CD2 4.27Å; I444-Y485 HydrophobicContact CG2-CE1 3.82Å; I444-Y485 HydrophobicContact CG2-CE2 4.24Å; I444-Y485 HydrophobicContact CG2-CG 4.08Å; E448-Y485 PolarHBondContact OE2-OH 2.87Å; E448-Y485 VanDerWaalsContact OE2-OH 3.08Å; N458-Y485 HydrophobicContact CB-CE1 4.04Å; F461-Y485 HydrophobicContact CB-CD1 4.04Å; R462-Y485 HydrophobicContact CB-CD1 4.18Å; R462-Y485 HydrophobicContact CB-CE1 3.8Å; R462-Y485 HydrophobicContact CG-CE1 3.96Å; R462-Y485 PolarHBondContact NE-OH 3.12Å
486I98.4Very high95.3Very high3 Ų347.4 Ų47.42%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-135.2126.3-175.1-53.4178.1000110.7Q437 F440 L441 D484 Q488 V570 Q572Q437-I486 HydrophobicContact CG-CD1 3.66Å; F440-I486 HydrophobicContact CD1-CD1 3.73Å; F440-I486 HydrophobicContact CD1-CG1 4.29Å; F440-I486 HydrophobicContact CE1-CD1 3.9Å; F440-I486 HydrophobicContact CE1-CG1 3.93Å; L441-I486 HydrophobicContact CD1-CD1 4.4Å; L441-I486 HydrophobicContact CD2-CD1 3.65Å; L441-I486 HydrophobicContact CD2-CG1 4.12Å; L441-I486 HydrophobicContact CG-CD1 3.87Å; D484-I486 PolarHBondContact OD1-N 2.59Å; I486-Q488 PolarHBondContact O-N 3.17Å; I486-V570 HydrophobicContact CG1-CB 4.22Å; I486-V570 HydrophobicContact CG1-CG1 4.03Å; I486-V570 HydrophobicContact CG2-CG1 4.23Å; I486-Q572 HydrophobicContact CG2-CB 3.67Å
487M97.8Very high95.4Very high2 Ų251.1 Ų51.11%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-78.1117.8165.2179.7-168.4175.700109.6L489 L533 Y536 F562 L569 V570 I571 Q572M487-L489 HydrophobicContact CE-CD1 3.65Å; M487-L489 PolarHBondContact O-N 2.88Å; M487-L533 HydrophobicContact CE-CD1 4.37Å; M487-Y536 HydrophobicContact CE-CD1 3.54Å; M487-Y536 HydrophobicContact CE-CD2 3.59Å; M487-Y536 HydrophobicContact CE-CE1 3.77Å; M487-Y536 HydrophobicContact CE-CE2 3.82Å; M487-Y536 HydrophobicContact CE-CG 3.43Å; M487-Y536 VanDerWaalsContact CE-CG 3.43Å; M487-Y536 HydrophobicContact CG-CD2 4.26Å; M487-Y536 HydrophobicContact CG-CE2 3.67Å; M487-F562 HydrophobicContact CB-CZ 4.02Å; M487-F562 HydrophobicContact CE-CE2 4.48Å; M487-F562 HydrophobicContact CG-CE2 4.5Å; M487-F562 HydrophobicContact CG-CZ 3.85Å; M487-F562 HydrophobicContact SD-CE2 4.08Å; M487-F562 HydrophobicContact SD-CZ 3.71Å; M487-L569 HydrophobicContact CB-CD1 4.23Å; M487-V570 PolarHBondContact N-O 2.85Å; M487-I571 HydrophobicContact CB-CG1 4.44Å; M487-I571 CarbonylContact O-C 3.59Å; M487-I571 WeakPolarHBondContact O-CA 3.22Å; M487-I571 HydrophobicContact SD-CD1 4.34Å; M487-I571 HydrophobicContact SD-CG1 4.28Å; M487-Q572 PolarHBondContact O-N 2.56Å
488Q97.6Very high95.4Very high79 Ų7951.7 Ų51.737%0.36927%0.266SS..EExtended strand (participates in β ladder)trans-88.4106.1175.2-56.9-176.9300110.5I486 Y536 K574I486-Q488 PolarHBondContact O-N 3.17Å; Q488-Y536 WeakPolarHBondContact O-CD2 3.1Å; Q488-K574 HydrophobicContact CB-CD 3.87Å; Q488-K574 HydrophobicContact CB-CG 4.03Å
489L97.6Very high95.4Very high0 Ų052.4 Ų52.40%027%0.269CS..EExtended strand (participates in β ladder)trans-86.2119.6-176.4-168.172.9000110.8M487 F529 C532 I571 Q572 I573 K574 M593M487-L489 HydrophobicContact CE-CD1 3.65Å; M487-L489 PolarHBondContact O-N 2.88Å; L489-F529 HydrophobicContact CD2-CD2 4.08Å; L489-F529 HydrophobicContact CD2-CE2 3.88Å; L489-C532 HydrophobicContact CD1-CB 4.07Å; L489-C532 HydrophobicContact CD2-CB 3.75Å; L489-C532 HydrophobicContact CG-CB 3.8Å; L489-I571 HydrophobicContact CB-CG2 3.7Å; L489-I571 HydrophobicContact CD2-CG2 4.24Å; L489-I571 HydrophobicContact CG-CG2 4.5Å; L489-Q572 PolarHBondContact N-O 3.22Å; L489-I573 HydrophobicContact CB-CD1 4.27Å; L489-I573 HydrophobicContact CD2-CD1 3.7Å; L489-K574 WeakPolarHBondContact O-CB 3.15Å; L489-K574 PolarHBondContact O-N 3.01Å; L489-M593 HydrophobicContact CD2-SD 4.49Å
490P97Very high95.4Very high37 Ų3758.3 Ų58.324%0.2430%0.298CS..  trans-70.3153.8177.230.8-35000111.4P492 C532 A535P490-P492 WeakPolarHBondContact O-CD 3.44Å; P490-C532 VanDerWaalsContact O-CB 3.31Å; P490-C532 WeakPolarHBondContact O-CB 3.43Å; P490-A535 HydrophobicContact CG-CB 3.82Å
491V96.9Very high95.5Very high17 Ų1760.6 Ų60.610%0.10331%0.305CS..  trans-11893.4177.4-175.40000109.4M493 V527 I573 V589 I591V491-M493 HydrophobicContact CG1-SD 4.12Å; V491-M493 PolarHBondContact O-N 2.89Å; V491-V527 HydrophobicContact CG1-CG1 4.39Å; V491-V527 HydrophobicContact CG1-CG2 4.26Å; V491-I573 HydrophobicContact CG2-CG2 3.47Å; V491-I573 VanDerWaalsContact CG2-CG2 3.47Å; V491-V589 HydrophobicContact CG1-CB 4.49Å; V491-V589 HydrophobicContact CG1-CG1 4.11Å; V491-V589 HydrophobicContact CG1-CG2 4.19Å; V491-I591 HydrophobicContact CG1-CD1 3.98Å; V491-I591 HydrophobicContact CG2-CD1 3.8Å
492P95.6Very high95.5Very high38 Ų3856.1 Ų56.125%0.24729%0.285CS..  trans-74.496.6178.829.3-32.6000110.3P490 D494 A495 V527 A535P490-P492 WeakPolarHBondContact O-CD 3.44Å; P492-D494 PolarHBondContact O-N 3.48Å; P492-D494 VanDerWaalsContact O-N 3.13Å; P492-A495 HydrophobicContact CB-CB 4.32Å; P492-A495 HydrophobicContact CG-CB 4.06Å; P492-A495 WeakPolarHBondContact O-CB 3.45Å; P492-A495 PolarHBondContact O-N 3.3Å; P492-V527 HydrophobicContact CG-CG1 4.45Å; P492-A535 HydrophobicContact CG-CB 4.25Å
493M93.2Very high95.5Very high71 Ų7156.7 Ų56.735%0.3530%0.295SS..G310 helixtrans-57.9-27.3179.8-66.9-58.4-63.200113V491 A495 A496 A525 L587 V589V491-M493 HydrophobicContact CG1-SD 4.12Å; V491-M493 PolarHBondContact O-N 2.89Å; M493-A495 PolarHBondContact O-N 2.62Å; M493-A496 VanDerWaalsContact O-CB 3.28Å; M493-A496 WeakPolarHBondContact O-CB 3.37Å; M493-A496 PolarHBondContact O-N 2.96Å; M493-A496 VanDerWaalsContact O-N 3.13Å; M493-A525 HydrophobicContact CE-CB 3.65Å; M493-L587 HydrophobicContact CG-CD1 4.26Å; M493-L587 HydrophobicContact CG-CD2 4.35Å; M493-L587 HydrophobicContact SD-CB 4.44Å; M493-L587 HydrophobicContact SD-CD1 4.16Å; M493-L587 HydrophobicContact SD-CD2 4.24Å; M493-V589 HydrophobicContact CE-CG1 4.06Å; M493-V589 HydrophobicContact SD-CG1 3.57Å; M493-V589 VanDerWaalsContact SD-CG1 3.57Å
494D94Very high95.5Very high141 Ų14159.5 Ų59.575%0.75431%0.305SS*.G310 helixtrans-68.3-14.6175.1-69.9-41.8000114P492 A496 K499P492-D494 PolarHBondContact O-N 3.48Å; P492-D494 VanDerWaalsContact O-N 3.13Å; D494-A496 VanDerWaalsContact C-N 3.33Å; D494-K499 WeakPolarHBondContact O-CE 3.42Å; D494-K499 PolarHBondContact O-NZ 2.93Å
495A95.1Very high95.2Very high29 Ų2959.2 Ų59.224%0.2430%0.301CS..G310 helixtrans-905.3174.200000113.2P492 M493 L497 P528P492-A495 HydrophobicContact CB-CB 4.32Å; P492-A495 HydrophobicContact CG-CB 4.06Å; P492-A495 WeakPolarHBondContact O-CB 3.45Å; P492-A495 PolarHBondContact O-N 3.3Å; M493-A495 PolarHBondContact O-N 2.62Å; A495-L497 PolarHBondContact O-N 2.99Å; A495-P528 WeakPolarHBondContact O-CD 3.17Å
496A95.3Very high94.8Very high13 Ų1362 Ų6211%0.10732%0.315CS..  trans-59.6132.8177.600000111.5M493 D494 K499 A525 Q526 V527M493-A496 VanDerWaalsContact O-CB 3.28Å; M493-A496 WeakPolarHBondContact O-CB 3.37Å; M493-A496 PolarHBondContact O-N 2.96Å; M493-A496 VanDerWaalsContact O-N 3.13Å; D494-A496 VanDerWaalsContact C-N 3.33Å; A496-K499 HydrophobicContact CB-CG 3.99Å; A496-K499 WeakPolarHBondContact O-CG 3.49Å; A496-A525 HydrophobicContact CB-CB 4.25Å; A496-Q526 CarbonylContact C-O 3.54Å; A496-Q526 WeakPolarHBondContact CA-O 3.38Å; A496-V527 HydrophobicContact CB-CG2 4.27Å
497L95.9Very high94.5Very high128 Ų12865.3 Ų65.367%0.6733%0.33SS*.SBendtrans-78.6-27.5-177.1-63.5-179.8000113.1A495 Q526 P528A495-L497 PolarHBondContact O-N 2.99Å; L497-Q526 PolarHBondContact N-O 3.49Å; L497-P528 HydrophobicContact CD1-CG 4.01Å; L497-P528 HydrophobicContact CD2-CG 3.86Å; L497-P528 HydrophobicContact CG-CG 3.83Å
498N95.7Very high94.1Very high14 Ų1469.9 Ų69.98%0.07535%0.35CS..  trans-118.147.8-170.365.3-30.7000112.1E500 E501 L502 R524 Q526N498-E500 PolarHBondContact O-N 2.93Å; N498-E501 WeakPolarHBondContact CA-OE2 3.3Å; N498-E501 HydrophobicContact CB-CB 4.37Å; N498-E501 WeakPolarHBondContact CB-OE2 3.19Å; N498-L502 WeakPolarHBondContact O-CB 3.47Å; N498-L502 PolarHBondContact O-N 3.04Å; N498-R524 PolarHBondContact ND2-O 3.27Å; N498-Q526 WeakPolarHBondContact OD1-CB 3.23Å; N498-Q526 PolarHBondContact OD1-N 3.24Å
499K93.9Very high93.4Very high96 Ų9669 Ų6942%0.41735%0.345SS..Hα-helixtrans-63.1-40.2-176.6-68.1-175.8-175.6-175.90112.6D494 A496 L502 L503D494-K499 WeakPolarHBondContact O-CE 3.42Å; D494-K499 PolarHBondContact O-NZ 2.93Å; A496-K499 HydrophobicContact CB-CG 3.99Å; A496-K499 WeakPolarHBondContact O-CG 3.49Å; K499-L502 PolarHBondContact O-N 3.28Å; K499-L503 VanDerWaalsContact O-CG 3.31Å; K499-L503 WeakPolarHBondContact O-CG 3.48Å; K499-L503 PolarHBondContact O-N 2.79Å; K499-L503 VanDerWaalsContact O-N 3.08Å
500E94.6Very high92.6Very high165 Ų16575.1 Ų75.177%0.77137%0.368SS*.Hα-helixtrans-68.9-43.6-178-65.6-175.517800110.9N498 L502 L503 E504N498-E500 PolarHBondContact O-N 2.93Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.47Å; E500-L503 PolarHBondContact O-N 2.65Å; E500-E504 PolarHBondContact O-N 3.22Å
501E94.1Very high92Very high104 Ų10477.5 Ų77.549%0.48638%0.376SS..Hα-helixtrans-64.1-37.4177.1-59.491.3155.100111.9N498 E504 Y505N498-E501 WeakPolarHBondContact CA-OE2 3.3Å; N498-E501 HydrophobicContact CB-CB 4.37Å; N498-E501 WeakPolarHBondContact CB-OE2 3.19Å; E501-E504 PolarHBondContact O-N 2.84Å; E501-Y505 WeakPolarHBondContact O-CB 3.33Å; E501-Y505 PolarHBondContact O-N 3.44Å
502L91.9Very high91.1Very high30 Ų3077.1 Ų77.116%0.15738%0.375CS..Hα-helixtrans-66-44.1176.5-170152.5000111.5N498 K499 E500 E504 Y505 E506 A525N498-L502 WeakPolarHBondContact O-CB 3.47Å; N498-L502 PolarHBondContact O-N 3.04Å; K499-L502 PolarHBondContact O-N 3.28Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.47Å; L502-E504 VanDerWaalsContact C-N 3.32Å; L502-E504 PolarHBondContact O-N 2.78Å; L502-Y505 WeakPolarHBondContact O-CB 3.47Å; L502-Y505 PolarHBondContact O-N 2.85Å; L502-E506 HydrophobicContact CD2-CG 3.88Å; L502-E506 WeakPolarHBondContact CD2-OE1 3.3Å; L502-E506 WeakPolarHBondContact O-CG 3.38Å; L502-E506 PolarHBondContact O-N 2.8Å; L502-A525 HydrophobicContact CD1-CB 3.41Å; L502-A525 VanDerWaalsContact CD1-CB 3.41Å
503L92.6Very high90.1Very high111 Ų11178.1 Ų78.158%0.58138%0.377SS*.Hα-helixtrans-62.6-40.1176.5-72.3170.9000111.7K499 E500 E506 E507K499-L503 VanDerWaalsContact O-CG 3.31Å; K499-L503 WeakPolarHBondContact O-CG 3.48Å; K499-L503 PolarHBondContact O-N 2.79Å; K499-L503 VanDerWaalsContact O-N 3.08Å; E500-L503 PolarHBondContact O-N 2.65Å; L503-E506 PolarHBondContact O-N 2.85Å; L503-E507 WeakPolarHBondContact O-CB 3.18Å; L503-E507 PolarHBondContact O-N 3.08Å
504E94.3Very high89.2Confident110 Ų11082.4 Ų82.451%0.51440%0.396SS..Hα-helixtrans-64.3-41.4175.5-168.6-176.2160.800111.8E500 E501 L502 K508E500-E504 PolarHBondContact O-N 3.22Å; E501-E504 PolarHBondContact O-N 2.84Å; L502-E504 VanDerWaalsContact C-N 3.32Å; L502-E504 PolarHBondContact O-N 2.78Å; E504-K508 HydrophobicContact CG-CD 4.39Å; E504-K508 WeakPolarHBondContact O-CB 3.34Å; E504-K508 WeakPolarHBondContact O-CG 3.47Å; E504-K508 PolarHBondContact O-N 3.15Å; E504-K508 WeakPolarHBondContact OE1-CE 3.35Å; E504-K508 IonicContact OE1-NZ 3.5Å; E504-K508 PolarHBondContact OE1-NZ 3.15Å
505Y91.2Very high88.5Confident28 Ų2882 Ų8211%0.1139%0.39CS..Hα-helixtrans-62.5-47174.4166.3-101000112.2E501 L502 E507 K508 K509 P520 E521 L522 V523E501-Y505 WeakPolarHBondContact O-CB 3.33Å; E501-Y505 PolarHBondContact O-N 3.44Å; L502-Y505 WeakPolarHBondContact O-CB 3.47Å; L502-Y505 PolarHBondContact O-N 2.85Å; Y505-E507 VanDerWaalsContact C-N 3.32Å; Y505-E507 PolarHBondContact O-N 3.41Å; Y505-K508 PolarHBondContact O-N 2.92Å; Y505-K509 HydrophobicContact CE1-CD 4.21Å; Y505-K509 VanDerWaalsContact O-CB 3.27Å; Y505-K509 WeakPolarHBondContact O-CB 3.44Å; Y505-K509 PolarHBondContact O-N 3.14Å; Y505-P520 HydrophobicContact CD2-CB 4.41Å; Y505-P520 HydrophobicContact CD2-CG 4Å; Y505-P520 HydrophobicContact CE2-CB 4.39Å; Y505-P520 HydrophobicContact CE2-CG 3.79Å; Y505-E521 WeakPolarHBondContact CD2-O 3.46Å; Y505-E521 WeakPolarHBondContact CE2-O 3.42Å; Y505-L522 HydrophobicContact CE1-CD1 4.16Å; Y505-L522 WeakPolarHBondContact OH-CD1 3.38Å; Y505-V523 HydrophobicContact CD1-CB 4.14Å; Y505-V523 HydrophobicContact CD2-CB 4.06Å; Y505-V523 HydrophobicContact CD2-CG2 3.95Å; Y505-V523 HydrophobicContact CG-CB 3.69Å; Y505-V523 HydrophobicContact CG-CG2 3.97Å
506E88.3Confident87.4Confident86 Ų8688.8 Ų88.840%0.40241%0.413SS..Hα-helixtrans-62.6-38.2179.5-74.6-176.7156.400112.1L502 L503 R510L502-E506 HydrophobicContact CD2-CG 3.88Å; L502-E506 WeakPolarHBondContact CD2-OE1 3.3Å; L502-E506 WeakPolarHBondContact O-CG 3.38Å; L502-E506 PolarHBondContact O-N 2.8Å; L503-E506 PolarHBondContact O-N 2.85Å; E506-R510 WeakPolarHBondContact O-CB 3.45Å; E506-R510 PolarHBondContact O-N 3.15Å
507E91.6Very high86.4Confident72 Ų7293.6 Ų93.634%0.33644%0.435SS..Hα-helixtrans-65.1-48.4173.8-176.564.5-136.200111.6L503 Y505 K509 R510 Q511L503-E507 WeakPolarHBondContact O-CB 3.18Å; L503-E507 PolarHBondContact O-N 3.08Å; Y505-E507 VanDerWaalsContact C-N 3.32Å; Y505-E507 PolarHBondContact O-N 3.41Å; E507-K509 VanDerWaalsContact C-N 3.3Å; E507-K509 PolarHBondContact O-N 3.11Å; E507-R510 VanDerWaalsContact CD-NH1 3.26Å; E507-R510 PolarHBondContact O-N 3.3Å; E507-R510 IonicContact OE1-CZ 2.76Å; E507-R510 IonicContact OE1-NH1 3.84Å; E507-R510 PolarHBondContact OE1-NH1 3.13Å; E507-R510 VanDerWaalsContact OE1-NH1 3.13Å; E507-R510 IonicContact OE2-CZ 3.59Å; E507-R510 IonicContact OE2-NH1 3.42Å; E507-R510 PolarHBondContact OE2-NH1 3.44Å; E507-R510 IonicContact OE2-NH2 3.13Å; E507-R510 PolarHBondContact OE2-NH2 3.46Å; E507-Q511 WeakPolarHBondContact O-CG 3.37Å; E507-Q511 PolarHBondContact O-N 3.35Å; E507-Q511 PolarHBondContact OE1-NE2 2.86Å
508K90.4Very high85.2Confident98 Ų9893 Ų9343%0.42644%0.439SS..Hα-helixtrans-61.1-39.5176.5-78.2172.8172.4164.60112.2E504 Y505 Q511 A512 P520E504-K508 HydrophobicContact CG-CD 4.39Å; E504-K508 WeakPolarHBondContact O-CB 3.34Å; E504-K508 WeakPolarHBondContact O-CG 3.47Å; E504-K508 PolarHBondContact O-N 3.15Å; E504-K508 WeakPolarHBondContact OE1-CE 3.35Å; E504-K508 IonicContact OE1-NZ 3.5Å; E504-K508 PolarHBondContact OE1-NZ 3.15Å; Y505-K508 PolarHBondContact O-N 2.92Å; K508-Q511 PolarHBondContact O-N 3.25Å; K508-A512 WeakPolarHBondContact O-CB 3.22Å; K508-A512 PolarHBondContact O-N 3.5Å; K508-P520 HydrophobicContact CB-CB 4.36Å; K508-P520 HydrophobicContact CB-CG 4.07Å
509K81.8Confident84.3Confident61 Ų6196 Ų9627%0.26545%0.454SS..Hα-helixtrans-62-48.6176.3178.1177.9173.7178.20110.5Y505 E507 Q511 A512 E513 L519 P520Y505-K509 HydrophobicContact CE1-CD 4.21Å; Y505-K509 VanDerWaalsContact O-CB 3.27Å; Y505-K509 WeakPolarHBondContact O-CB 3.44Å; Y505-K509 PolarHBondContact O-N 3.14Å; E507-K509 VanDerWaalsContact C-N 3.3Å; E507-K509 PolarHBondContact O-N 3.11Å; K509-Q511 VanDerWaalsContact C-N 3.34Å; K509-Q511 PolarHBondContact O-N 2.69Å; K509-A512 PolarHBondContact O-N 3.16Å; K509-E513 WeakPolarHBondContact CE-OE1 3.48Å; K509-E513 IonicContact NZ-OE1 2.75Å; K509-E513 WeakPolarHBondContact O-CG 3.43Å; K509-E513 PolarHBondContact O-N 2.89Å; K509-L519 HydrophobicContact CG-CD2 4.05Å; K509-P520 HydrophobicContact CB-CG 4.13Å
510R81.6Confident83.7Confident128 Ų12893.2 Ų93.248%0.48345%0.446SS..Hα-helixtrans-59.7-43.7178.1-162.4-161.4-41.8136.811.6112E506 E507 E513 E514E506-R510 WeakPolarHBondContact O-CB 3.45Å; E506-R510 PolarHBondContact O-N 3.15Å; E507-R510 VanDerWaalsContact CD-NH1 3.26Å; E507-R510 PolarHBondContact O-N 3.3Å; E507-R510 IonicContact OE1-CZ 2.76Å; E507-R510 IonicContact OE1-NH1 3.84Å; E507-R510 PolarHBondContact OE1-NH1 3.13Å; E507-R510 VanDerWaalsContact OE1-NH1 3.13Å; E507-R510 IonicContact OE2-CZ 3.59Å; E507-R510 IonicContact OE2-NH1 3.42Å; E507-R510 PolarHBondContact OE2-NH1 3.44Å; E507-R510 IonicContact OE2-NH2 3.13Å; E507-R510 PolarHBondContact OE2-NH2 3.46Å; R510-E513 PolarHBondContact O-N 3.29Å; R510-E514 WeakPolarHBondContact O-CB 3.38Å; R510-E514 PolarHBondContact O-N 3.07Å
511Q84.5Confident83.1Confident87 Ų8793.8 Ų93.841%0.40745%0.449SS..Hα-helixtrans-63.5-45.1175.9-71.2172.810.300111.4E507 K508 K509 E513 E514 E515E507-Q511 WeakPolarHBondContact O-CG 3.37Å; E507-Q511 PolarHBondContact O-N 3.35Å; E507-Q511 PolarHBondContact OE1-NE2 2.86Å; K508-Q511 PolarHBondContact O-N 3.25Å; K509-Q511 VanDerWaalsContact C-N 3.34Å; K509-Q511 PolarHBondContact O-N 2.69Å; Q511-E513 VanDerWaalsContact C-N 3.33Å; Q511-E513 PolarHBondContact O-N 2.95Å; Q511-E514 PolarHBondContact O-N 3.21Å; Q511-E515 VanDerWaalsContact O-CB 3.31Å; Q511-E515 WeakPolarHBondContact O-CB 3.47Å; Q511-E515 WeakPolarHBondContact O-CG 3.49Å; Q511-E515 PolarHBondContact O-N 3.27Å
512A77.8Confident82.6Confident10 Ų1091.1 Ų91.18%0.08344%0.437CS..Hα-helixtrans-62.7-38.3177.100000112.4K508 K509 K516 M517K508-A512 WeakPolarHBondContact O-CB 3.22Å; K508-A512 PolarHBondContact O-N 3.5Å; K509-A512 PolarHBondContact O-N 3.16Å; A512-K516 CarbonylContact O-C 3.59Å; A512-K516 WeakPolarHBondContact O-CA 3.34Å; A512-K516 PolarHBondContact O-N 3.06Å; A512-M517 HydrophobicContact CB-CB 4.36Å; A512-M517 PolarHBondContact O-N 2.7Å
513E73.8Confident82.4Confident59 Ų5992.1 Ų92.128%0.27645%0.445SS..Hα-helixtrans-65.8-44.6175.1-74.3168.1174.900111.8D225 K509 R510 Q511 K516 L519D225-E513 VanDerWaalsContact O-CD 3.31Å; K509-E513 WeakPolarHBondContact CE-OE1 3.48Å; K509-E513 IonicContact NZ-OE1 2.75Å; K509-E513 WeakPolarHBondContact O-CG 3.43Å; K509-E513 PolarHBondContact O-N 2.89Å; R510-E513 PolarHBondContact O-N 3.29Å; Q511-E513 VanDerWaalsContact C-N 3.33Å; Q511-E513 PolarHBondContact O-N 2.95Å; E513-K516 PolarHBondContact O-N 3.07Å; E513-L519 HydrophobicContact CG-CD2 3.91Å
514E74.8Confident82.3Confident161 Ų16188.4 Ų88.475%0.75242%0.423SS*.Hα-helixtrans-66.3-41.6178.2-172.4168.8-170.400112.2R510 Q511 K516R510-E514 WeakPolarHBondContact O-CB 3.38Å; R510-E514 PolarHBondContact O-N 3.07Å; Q511-E514 PolarHBondContact O-N 3.21Å; E514-K516 VanDerWaalsContact C-N 3.28Å; E514-K516 PolarHBondContact O-N 3.37Å
515E80.1Confident82.3Confident133 Ų13383.2 Ų83.262%0.62140%0.399SS*.THydrogen-bonded Turntrans-83.1-2.5178.2-64.3-176.6174.800113.4Q511 M517Q511-E515 VanDerWaalsContact O-CB 3.31Å; Q511-E515 WeakPolarHBondContact O-CB 3.47Å; Q511-E515 WeakPolarHBondContact O-CG 3.49Å; Q511-E515 PolarHBondContact O-N 3.27Å; E515-M517 HydrophobicContact CB-CG 4.08Å; E515-M517 HydrophobicContact CB-SD 4.46Å; E515-M517 PolarHBondContact O-N 3.36Å
516K71.9Confident82.5Confident170 Ų17086.6 Ų86.674%0.73942%0.416SS*.THydrogen-bonded Turntrans53.335.3-175.6-56.8-175.7177.4-171.20113.5A512 E513 E514A512-K516 CarbonylContact O-C 3.59Å; A512-K516 WeakPolarHBondContact O-CA 3.34Å; A512-K516 PolarHBondContact O-N 3.06Å; E513-K516 PolarHBondContact O-N 3.07Å; E514-K516 VanDerWaalsContact C-N 3.28Å; E514-K516 PolarHBondContact O-N 3.37Å
517M74Confident82.9Confident115 Ų11582.7 Ų82.757%0.56740%0.398SS*.PPolyproline II helixtrans-87.4164.6174.9-73.9-169.461.200111.5A512 E515 L519A512-M517 HydrophobicContact CB-CB 4.36Å; A512-M517 PolarHBondContact O-N 2.7Å; E515-M517 HydrophobicContact CB-CG 4.08Å; E515-M517 HydrophobicContact CB-SD 4.46Å; E515-M517 PolarHBondContact O-N 3.36Å; M517-L519 PolarHBondContact O-N 2.86Å
518P71.5Confident83.2Confident115 Ų11580.8 Ų80.875%0.74739%0.391SS*.PPolyproline II helixtrans-55.3137.2170.4-23.133.7000111.3
519L74.9Confident83.5Confident77 Ų7777.5 Ų77.540%0.40338%0.377SS..PPolyproline II helixtrans-61.8144.4178.7-67.8170.2000110.8K509 E513 M517K509-L519 HydrophobicContact CG-CD2 4.05Å; E513-L519 HydrophobicContact CG-CD2 3.91Å; M517-L519 PolarHBondContact O-N 2.86Å
520P82.3Confident84.2Confident37 Ų3777.7 Ų77.724%0.2439%0.386CS..PPolyproline II helixtrans-66.4162.9174.128.7-34.3000111.6Y505 K508 K509 L522Y505-P520 HydrophobicContact CD2-CB 4.41Å; Y505-P520 HydrophobicContact CD2-CG 4Å; Y505-P520 HydrophobicContact CE2-CB 4.39Å; Y505-P520 HydrophobicContact CE2-CG 3.79Å; K508-P520 HydrophobicContact CB-CB 4.36Å; K508-P520 HydrophobicContact CB-CG 4.07Å; K509-P520 HydrophobicContact CB-CG 4.13Å; P520-L522 PolarHBondContact O-N 3.46Å
521E82.4Confident85Confident178 Ų17872.8 Ų72.883%0.83237%0.371SS*.PPolyproline II helixtrans-55.8134173.1-171.1176.9178.700110.8Y505 V523Y505-E521 WeakPolarHBondContact CD2-O 3.46Å; Y505-E521 WeakPolarHBondContact CE2-O 3.42Å; E521-V523 PolarHBondContact O-N 3.27Å
522L82.7Confident85.6Confident47 Ų4768.6 Ų68.625%0.24635%0.352CS..PPolyproline II helixtrans-68.5124.4-171179.662.6000111.7I304 Y505 P520 R524I304-L522 HydrophobicContact CG2-CD2 3.98Å; Y505-L522 HydrophobicContact CE1-CD1 4.16Å; Y505-L522 WeakPolarHBondContact OH-CD1 3.38Å; P520-L522 PolarHBondContact O-N 3.46Å; L522-R524 VanDerWaalsContact CD2-CZ 3.43Å; L522-R524 HydrophobicContact CG-CG 4.48Å
523V88.5Confident86.4Confident51 Ų5169.2 Ų69.231%0.30935%0.354SS..  trans-112.9129.8171.5-177.30000109.2Y505 E521Y505-V523 HydrophobicContact CD1-CB 4.14Å; Y505-V523 HydrophobicContact CD2-CB 4.06Å; Y505-V523 HydrophobicContact CD2-CG2 3.95Å; Y505-V523 HydrophobicContact CG-CB 3.69Å; Y505-V523 HydrophobicContact CG-CG2 3.97Å; E521-V523 PolarHBondContact O-N 3.27Å
524R90.3Very high87.5Confident34 Ų3472.9 Ų72.913%0.12837%0.371CS..  trans-107.8155.5178.7-67.6-174.1177.789.1-1.7111.5N498 L522 Q526 D588N498-R524 PolarHBondContact ND2-O 3.27Å; L522-R524 VanDerWaalsContact CD2-CZ 3.43Å; L522-R524 HydrophobicContact CG-CG 4.48Å; R524-Q526 PolarHBondContact O-N 2.8Å; R524-D588 WeakPolarHBondContact CD-OD1 3.17Å; R524-D588 IonicContact CZ-OD1 3.23Å; R524-D588 IonicContact NE-OD1 3.86Å; R524-D588 PolarHBondContact NE-OD1 2.91Å; R524-D588 IonicContact NE-OD2 2.77Å
525A93.5Very high88.5Confident1 Ų167.2 Ų67.21%0.00835%0.352CS..EExtended strand (participates in β ladder)trans-69.6119.2170.400000109.2M493 A496 L502 V527 V589 S590M493-A525 HydrophobicContact CE-CB 3.65Å; A496-A525 HydrophobicContact CB-CB 4.25Å; L502-A525 HydrophobicContact CD1-CB 3.41Å; L502-A525 VanDerWaalsContact CD1-CB 3.41Å; A525-V527 HydrophobicContact CB-CG2 4.46Å; A525-V527 PolarHBondContact O-N 3.09Å; A525-V589 HydrophobicContact CB-CG1 4.2Å; A525-V589 WeakPolarHBondContact O-CA 3.25Å; A525-S590 PolarHBondContact O-N 2.91Å
526Q96.1Very high89.3Confident99 Ų9962.5 Ų62.546%0.46333%0.328SS..EExtended strand (participates in β ladder)trans-88102.9175.7-71-173.8-22.500109.1A496 L497 N498 R524 S590A496-Q526 CarbonylContact C-O 3.54Å; A496-Q526 WeakPolarHBondContact CA-O 3.38Å; L497-Q526 PolarHBondContact N-O 3.49Å; N498-Q526 WeakPolarHBondContact OD1-CB 3.23Å; N498-Q526 PolarHBondContact OD1-N 3.24Å; R524-Q526 PolarHBondContact O-N 2.8Å; Q526-S590 WeakPolarHBondContact CA-O 3.48Å
527V97.1Very high90.3Very high4 Ų454.8 Ų54.82%0.02430%0.297CS..  trans-106.1123.4-178.7-179.90000108.9V491 P492 A496 A525 F529 S590 I591V491-V527 HydrophobicContact CG1-CG1 4.39Å; V491-V527 HydrophobicContact CG1-CG2 4.26Å; P492-V527 HydrophobicContact CG-CG1 4.45Å; A496-V527 HydrophobicContact CB-CG2 4.27Å; A525-V527 HydrophobicContact CB-CG2 4.46Å; A525-V527 PolarHBondContact O-N 3.09Å; V527-F529 PolarHBondContact O-N 2.96Å; V527-S590 PolarHBondContact N-O 3.22Å; V527-I591 HydrophobicContact CB-CG1 4.06Å
528P97.7Very high91.3Very high31 Ų3151.4 Ų51.420%0.20129%0.288CS..  trans-65.7134.6178.5-18.630.3000111.7A495 L497 S530 S531 C532A495-P528 WeakPolarHBondContact O-CD 3.17Å; L497-P528 HydrophobicContact CD1-CG 4.01Å; L497-P528 HydrophobicContact CD2-CG 3.86Å; L497-P528 HydrophobicContact CG-CG 3.83Å; P528-S530 PolarHBondContact O-N 3.18Å; P528-S531 WeakPolarHBondContact O-CB 3.49Å; P528-S531 PolarHBondContact O-N 3.21Å; P528-S531 VanDerWaalsContact O-N 3.1Å; P528-C532 PolarHBondContact O-N 3.4Å
529F96.9Very high92.5Very high30 Ų3050.4 Ų50.413%0.13228%0.281CS..Hα-helixtrans-56.8-37.2175170.1-102.3000112.9L489 V527 S531 C532 L533 I591 E592 M593 P594 L597L489-F529 HydrophobicContact CD2-CD2 4.08Å; L489-F529 HydrophobicContact CD2-CE2 3.88Å; V527-F529 PolarHBondContact O-N 2.96Å; F529-S531 VanDerWaalsContact C-N 3.28Å; F529-S531 PolarHBondContact O-N 3.46Å; F529-C532 WeakPolarHBondContact O-CB 3.47Å; F529-C532 PolarHBondContact O-N 3.46Å; F529-C532 VanDerWaalsContact O-N 3.1Å; F529-L533 HydrophobicContact CE1-CB 4.47Å; F529-L533 HydrophobicContact CE1-CD1 4.26Å; F529-L533 HydrophobicContact CE2-CD1 4.49Å; F529-L533 HydrophobicContact CZ-CB 4.42Å; F529-L533 HydrophobicContact CZ-CD1 3.74Å; F529-L533 PolarHBondContact O-N 3.29Å; F529-I591 HydrophobicContact CB-CG2 4.13Å; F529-E592 WeakPolarHBondContact CB-O 3.35Å; F529-M593 HydrophobicContact CD2-CE 4.23Å; F529-M593 HydrophobicContact CD2-SD 3.52Å; F529-M593 VanDerWaalsContact CD2-SD 3.52Å; F529-M593 HydrophobicContact CE2-CE 3.98Å; F529-M593 HydrophobicContact CE2-SD 3.9Å; F529-M593 HydrophobicContact CG-SD 4.49Å; F529-P594 HydrophobicContact CD1-CG 3.81Å; F529-P594 HydrophobicContact CE1-CG 3.72Å; F529-P594 HydrophobicContact CG-CG 4.39Å; F529-P594 HydrophobicContact CZ-CG 4.23Å; F529-L597 HydrophobicContact CE1-CD1 3.53Å; F529-L597 HydrophobicContact CZ-CD1 3.38Å
530S96.6Very high93.4Very high64 Ų6452.8 Ų52.845%0.44829%0.29SS..Hα-helixtrans-57.7-41.317755.90000111.9P528 C532 L533 E534P528-S530 PolarHBondContact O-N 3.18Å; S530-C532 VanDerWaalsContact C-N 3.32Å; S530-C532 PolarHBondContact O-N 2.92Å; S530-L533 PolarHBondContact O-N 3.28Å; S530-E534 WeakPolarHBondContact O-CB 3.37Å; S530-E534 WeakPolarHBondContact O-CG 3.26Å; S530-E534 PolarHBondContact O-N 2.94Å
531S97.2Very high94Very high25 Ų2556.7 Ų56.718%0.17531%0.305CS..Hα-helixtrans-63.9-38.8176.9-50.30000111.7P528 F529 A535P528-S531 WeakPolarHBondContact O-CB 3.49Å; P528-S531 PolarHBondContact O-N 3.21Å; P528-S531 VanDerWaalsContact O-N 3.1Å; F529-S531 VanDerWaalsContact C-N 3.28Å; F529-S531 PolarHBondContact O-N 3.46Å; S531-A535 VanDerWaalsContact O-CB 3.27Å; S531-A535 WeakPolarHBondContact O-CB 3.4Å; S531-A535 PolarHBondContact O-N 3.01Å
532C97.2Very high94.6Very high0 Ų050.7 Ų50.70%028%0.281CS..Hα-helixtrans-65.2-41.9175.5-56.70000111.8L489 P490 P528 F529 S530 A535 Y536L489-C532 HydrophobicContact CD1-CB 4.07Å; L489-C532 HydrophobicContact CD2-CB 3.75Å; L489-C532 HydrophobicContact CG-CB 3.8Å; P490-C532 VanDerWaalsContact O-CB 3.31Å; P490-C532 WeakPolarHBondContact O-CB 3.43Å; P528-C532 PolarHBondContact O-N 3.4Å; F529-C532 WeakPolarHBondContact O-CB 3.47Å; F529-C532 PolarHBondContact O-N 3.46Å; F529-C532 VanDerWaalsContact O-N 3.1Å; S530-C532 VanDerWaalsContact C-N 3.32Å; S530-C532 PolarHBondContact O-N 2.92Å; C532-A535 PolarHBondContact O-N 2.89Å; C532-Y536 PolarHBondContact O-N 3.09Å
533L96.1Very high95.1Very high22 Ų2253.4 Ų53.412%0.11530%0.296CS..Hα-helixtrans-68.3-41.8178.4-162.692.1000112M487 F529 S530 Y536 G537 I599 L602M487-L533 HydrophobicContact CE-CD1 4.37Å; F529-L533 HydrophobicContact CE1-CB 4.47Å; F529-L533 HydrophobicContact CE1-CD1 4.26Å; F529-L533 HydrophobicContact CE2-CD1 4.49Å; F529-L533 HydrophobicContact CZ-CB 4.42Å; F529-L533 HydrophobicContact CZ-CD1 3.74Å; F529-L533 PolarHBondContact O-N 3.29Å; S530-L533 PolarHBondContact O-N 3.28Å; L533-Y536 WeakPolarHBondContact O-CB 3.37Å; L533-Y536 PolarHBondContact O-N 2.88Å; L533-G537 PolarHBondContact O-N 2.93Å; L533-G537 VanDerWaalsContact O-N 3.12Å; L533-I599 HydrophobicContact CD1-CG2 3.86Å; L533-L602 HydrophobicContact CD1-CD1 3.98Å; L533-L602 HydrophobicContact CD2-CD1 4.37Å; L533-L602 HydrophobicContact CG-CD1 4.05Å
534E95.8Very high95.1Very high137 Ų13756.1 Ų56.164%0.6431%0.308SS*.Hα-helixtrans-61.7-45.8174-76173.3-163.600111S530 Y536 G537 A538S530-E534 WeakPolarHBondContact O-CB 3.37Å; S530-E534 WeakPolarHBondContact O-CG 3.26Å; S530-E534 PolarHBondContact O-N 2.94Å; E534-Y536 VanDerWaalsContact C-N 3.27Å; E534-Y536 PolarHBondContact O-N 2.75Å; E534-G537 CarbonylContact O-C 3.5Å; E534-G537 PolarHBondContact O-N 2.87Å; E534-A538 VanDerWaalsContact O-CB 3.29Å; E534-A538 WeakPolarHBondContact O-CB 3.34Å; E534-A538 PolarHBondContact O-N 2.96Å
535A95.9Very high95.1Very high42 Ų4256.4 Ų56.435%0.34731%0.31SS..Hα-helixtrans-60.7-35.5176.200000112.5P490 P492 S531 C532P490-A535 HydrophobicContact CG-CB 3.82Å; P492-A535 HydrophobicContact CG-CB 4.25Å; S531-A535 VanDerWaalsContact O-CB 3.27Å; S531-A535 WeakPolarHBondContact O-CB 3.4Å; S531-A535 PolarHBondContact O-N 3.01Å; C532-A535 PolarHBondContact O-N 2.89Å
536Y95.9Very high94.7Very high33 Ų3359.3 Ų59.313%0.12932%0.321CS..Hα-helixtrans-65.6-42.8174.4-178.6-89.4000112.8M487 Q488 C532 L533 E534 F562 L602M487-Y536 HydrophobicContact CE-CD1 3.54Å; M487-Y536 HydrophobicContact CE-CD2 3.59Å; M487-Y536 HydrophobicContact CE-CE1 3.77Å; M487-Y536 HydrophobicContact CE-CE2 3.82Å; M487-Y536 HydrophobicContact CE-CG 3.43Å; M487-Y536 VanDerWaalsContact CE-CG 3.43Å; M487-Y536 HydrophobicContact CG-CD2 4.26Å; M487-Y536 HydrophobicContact CG-CE2 3.67Å; Q488-Y536 WeakPolarHBondContact O-CD2 3.1Å; C532-Y536 PolarHBondContact O-N 3.09Å; L533-Y536 WeakPolarHBondContact O-CB 3.37Å; L533-Y536 PolarHBondContact O-N 2.88Å; E534-Y536 VanDerWaalsContact C-N 3.27Å; E534-Y536 PolarHBondContact O-N 2.75Å; Y536-F562 HydrophobicContact CE1-CD2 4.49Å; Y536-F562 AromaticContact CE1-CE2 3.81Å; Y536-F562 HydrophobicContact CE1-CE2 3.81Å; Y536-L602 HydrophobicContact CD1-CD1 4.2Å
537G93.9Very high94.3Very high9 Ų954.6 Ų54.69%0.09330%0.299CS..Hα-helixtrans-87.9-5.2-177.300000115L533 E534 R561L533-G537 PolarHBondContact O-N 2.93Å; L533-G537 VanDerWaalsContact O-N 3.12Å; E534-G537 CarbonylContact O-C 3.5Å; E534-G537 PolarHBondContact O-N 2.87Å; G537-R561 PolarHBondContact O-NH2 2.77Å
538A95.8Very high93.8Very high44 Ų4455.9 Ų55.936%0.36431%0.307SS..SBendtrans-68.3144.1-177.200000111.4E534 E540E534-A538 VanDerWaalsContact O-CB 3.29Å; E534-A538 WeakPolarHBondContact O-CB 3.34Å; E534-A538 PolarHBondContact O-N 2.96Å; A538-E540 PolarHBondContact O-N 3.14Å
539P95.5Very high93.3Very high93 Ų9356 Ų5660%0.60431%0.311SS*.PPolyproline II helixtrans-66.5125.9170.127.1-31.6000110.1V557 K558P539-V557 HydrophobicContact CB-CG1 3.49Å; P539-V557 VanDerWaalsContact CB-CG1 3.49Å; P539-K558 WeakPolarHBondContact CA-O 2.97Å
540E94.2Very high92.7Very high128 Ų12858.1 Ų58.160%0.59832%0.323SS*.EExtended strand (participates in β ladder)trans-101.9132.8177.5-175.1-178.817700109.8A538 V557 K558A538-E540 PolarHBondContact O-N 3.14Å; E540-V557 CarbonylContact O-C 3.58Å; E540-V557 WeakPolarHBondContact O-CA 3.28Å; E540-K558 PolarHBondContact N-O 2.7Å; E540-K558 PolarHBondContact O-N 3.4Å
541Q95.7Very high92.1Very high118 Ų11860.4 Ų60.455%0.55133%0.327SS*.EExtended strand (participates in β ladder)trans-79.8126.7174.3-173.9175.8-34.500109.8D543 V555Q541-D543 PolarHBondContact NE2-OD1 3.41Å; Q541-V555 HydrophobicContact CG-CG1 3.32Å
542V94.3Very high91.5Very high52 Ų5261.1 Ų61.132%0.31533%0.334SS..EExtended strand (participates in β ladder)trans-111.5107.5175.2-176.60000108A556 K558V542-A556 HydrophobicContact CB-CB 4.35Å; V542-A556 PolarHBondContact N-O 3.07Å; V542-A556 PolarHBondContact O-N 3.47Å; V542-K558 HydrophobicContact CG2-CB 3.85Å
543D92.4Very high91Very high105 Ų10566.8 Ų66.856%0.56136%0.359SS*.EExtended strand (participates in β ladder)trans-77.6164.2173.9-63.2-29.3000110.8Q541 F545Q541-D543 PolarHBondContact NE2-OD1 3.41Å; D543-F545 VanDerWaalsContact C-N 3.26Å; D543-F545 PolarHBondContact O-N 2.92Å
544D90.2Very high90.8Very high108 Ų10866.9 Ų66.958%0.57836%0.361SS*.EExtended strand (participates in β ladder)trans57.932.3-179.6-155.930.5000114.8K553D544-K553 WeakPolarHBondContact OD1-CD 3.37Å; D544-K553 WeakPolarHBondContact OD1-CE 3.16Å; D544-K553 IonicContact OD1-NZ 3.63Å; D544-K553 PolarHBondContact OD1-NZ 2.77Å; D544-K553 IonicContact OD2-NZ 2.71Å; D544-K553 PolarHBondContact OD2-NZ 2.91Å
545F88.6Confident90.8Very high39 Ų3962.3 Ų62.317%0.17134%0.343CS..EExtended strand (participates in β ladder)trans-83.9127.4178.4168.6-103.4000112I469 C471 D543 S547 K553 S554 A556 L614I469-F545 HydrophobicContact CG2-CD2 4.43Å; I469-F545 HydrophobicContact CG2-CE2 3.82Å; I469-F545 HydrophobicContact CG2-CZ 3.9Å; C471-F545 HydrophobicContact CB-CE1 4.25Å; D543-F545 VanDerWaalsContact C-N 3.26Å; D543-F545 PolarHBondContact O-N 2.92Å; F545-S547 PolarHBondContact O-N 3.42Å; F545-K553 CarbonylContact O-C 3.57Å; F545-K553 WeakPolarHBondContact O-CA 3.29Å; F545-S554 PolarHBondContact N-O 3.01Å; F545-S554 PolarHBondContact O-N 3.4Å; F545-A556 HydrophobicContact CB-CB 3.73Å; F545-A556 HydrophobicContact CD1-CB 3.57Å; F545-A556 HydrophobicContact CD2-CB 3.96Å; F545-A556 HydrophobicContact CE1-CB 4.12Å; F545-A556 HydrophobicContact CE2-CB 4.49Å; F545-A556 HydrophobicContact CG-CB 3.46Å; F545-A556 VanDerWaalsContact CG-CB 3.46Å; F545-L614 HydrophobicContact CZ-CD1 4.08Å
546W86.8Confident90.7Very high62 Ų6260.4 Ų60.424%0.23533%0.327CS..EExtended strand (participates in β ladder)trans-76.8111.8171.4-175.7-102.6000111.5Q551 A552 K553 D698 P699W546-Q551 VanDerWaalsContact CH2-O 3.24Å; W546-Q551 WeakPolarHBondContact CH2-O 3.46Å; W546-Q551 HydrophobicContact CZ2-CB 4.47Å; W546-A552 VanDerWaalsContact CE3-C 3.49Å; W546-A552 VanDerWaalsContact CZ3-CA 3.45Å; W546-K553 HydrophobicContact CE3-CG 3.97Å; W546-K553 HydrophobicContact CZ3-CG 4.39Å; W546-D698 HydrophobicContact CH2-CB 4.07Å; W546-D698 WeakPolarHBondContact CH2-OD1 3.48Å; W546-D698 HydrophobicContact CZ2-CB 4.34Å; W546-P699 HydrophobicContact CD2-CG 3.9Å; W546-P699 VanDerWaalsContact CE3-CD 3.46Å; W546-P699 HydrophobicContact CE3-CG 3.71Å; W546-P699 HydrophobicContact CG-CG 4.26Å; W546-P699 VanDerWaalsContact CZ3-CD 3.48Å; W546-P699 HydrophobicContact CZ3-CG 4.22Å
547S87.7Confident90.8Very high0 Ų060 Ų600%033%0.327CS..EExtended strand (participates in β ladder)trans-91.9114.3174.8177.10000110.4C471 F545 A549 L550 Q551 A552C471-S547 PolarHBondContact SG-OG 3.19Å; F545-S547 PolarHBondContact O-N 3.42Å; S547-A549 PolarHBondContact O-N 3.09Å; S547-L550 PolarHBondContact O-N 3.01Å; S547-L550 PolarHBondContact OG-N 2.84Å; S547-Q551 WeakPolarHBondContact O-CA 3.23Å; S547-Q551 PolarHBondContact O-N 2.65Å; S547-A552 PolarHBondContact N-O 3.31Å; S547-A552 PolarHBondContact O-N 3.38Å
548T86.8Confident90.9Very high31 Ų3162 Ų6219%0.1933%0.333CS..THydrogen-bonded Turntrans-63.6-25.2175.452.80000113.1P615 I617T548-P615 WeakPolarHBondContact CB-O 3.4Å; T548-P615 WeakPolarHBondContact CG2-O 3.32Å; T548-P615 PolarHBondContact OG1-O 3.23Å; T548-I617 HydrophobicContact CG2-CG1 3.68Å
549A85.2Confident90.9Very high34 Ų3461.2 Ų61.228%0.28132%0.324SS..THydrogen-bonded Turntrans-76.2-33.3175.900000113.1T474 K476 S547 L614 P615T474-A549 HydrophobicContact CG2-CB 4.09Å; K476-A549 HydrophobicContact CD-CB 3.73Å; S547-A549 PolarHBondContact O-N 3.09Å; A549-L614 HydrophobicContact CB-CD2 3.9Å; A549-P615 HydrophobicContact CB-CG 4.48Å
550L85.8Confident91Very high74 Ų7458 Ų5839%0.38730%0.303SS..THydrogen-bonded Turntrans-89.6-19.8174.6-70.3176.3000113A473 T474 S547 A552A473-L550 HydrophobicContact CB-CD1 3.62Å; A473-L550 HydrophobicContact CB-CG 4.49Å; T474-L550 HydrophobicContact CG2-CD1 4.5Å; T474-L550 HydrophobicContact CG2-CD2 3.57Å; T474-L550 HydrophobicContact CG2-CG 3.69Å; S547-L550 PolarHBondContact O-N 3.01Å; S547-L550 PolarHBondContact OG-N 2.84Å; L550-A552 HydrophobicContact CB-CB 4.28Å; L550-A552 PolarHBondContact O-N 3.43Å
551Q83.9Confident91.1Very high112 Ų11255.5 Ų55.552%0.52329%0.288SS..THydrogen-bonded Turntrans51.443.2-166.7-54.4-178.8-78.600111.5W546 S547W546-Q551 VanDerWaalsContact CH2-O 3.24Å; W546-Q551 WeakPolarHBondContact CH2-O 3.46Å; W546-Q551 HydrophobicContact CZ2-CB 4.47Å; S547-Q551 WeakPolarHBondContact O-CA 3.23Å; S547-Q551 PolarHBondContact O-N 2.65Å
552A83.5Confident91.2Very high40 Ų4049.9 Ų49.933%0.33126%0.262SS..EExtended strand (participates in β ladder)trans-155.5160.7-177.800000111.5W546 S547 L550W546-A552 VanDerWaalsContact CE3-C 3.49Å; W546-A552 VanDerWaalsContact CZ3-CA 3.45Å; S547-A552 PolarHBondContact N-O 3.31Å; S547-A552 PolarHBondContact O-N 3.38Å; L550-A552 HydrophobicContact CB-CB 4.28Å; L550-A552 PolarHBondContact O-N 3.43Å
553K88Confident91.3Very high120 Ų12048.3 Ų48.352%0.52226%0.255SS..EExtended strand (participates in β ladder)trans-67.4132.1167.8-71.9176.7159.6-139.50110.1D544 F545 W546D544-K553 WeakPolarHBondContact OD1-CD 3.37Å; D544-K553 WeakPolarHBondContact OD1-CE 3.16Å; D544-K553 IonicContact OD1-NZ 3.63Å; D544-K553 PolarHBondContact OD1-NZ 2.77Å; D544-K553 IonicContact OD2-NZ 2.71Å; D544-K553 PolarHBondContact OD2-NZ 2.91Å; F545-K553 CarbonylContact O-C 3.57Å; F545-K553 WeakPolarHBondContact O-CA 3.29Å; W546-K553 HydrophobicContact CE3-CG 3.97Å; W546-K553 HydrophobicContact CZ3-CG 4.39Å
554S91.6Very high91.6Very high24 Ų2443.5 Ų43.517%0.16823%0.229CC..EExtended strand (participates in β ladder)trans-149.2-176.2-174-177.80000109.5F545F545-S554 PolarHBondContact N-O 3.01Å; F545-S554 PolarHBondContact O-N 3.4Å
555V94.8Very high91.9Very high41 Ų4138.4 Ų38.425%0.24820%0.202CC..EExtended strand (participates in β ladder)trans-97.2137.6170.1-179.90000109.7L472 Q541L472-V555 HydrophobicContact CD2-CG1 4.28Å; L472-V555 PolarHBondContact N-O 3.07Å; L472-V555 VanDerWaalsContact N-O 3.13Å; Q541-V555 HydrophobicContact CG-CG1 3.32Å
556A94.7Very high92.4Very high1 Ų136.6 Ų36.61%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-113160.6168.800000111.6I469 K470 V542 F545I469-A556 HydrophobicContact CG2-CB 3.93Å; K470-A556 CarbonylContact O-C 3.53Å; K470-A556 VanDerWaalsContact O-CA 3.27Å; K470-A556 WeakPolarHBondContact O-CA 3.45Å; V542-A556 HydrophobicContact CB-CB 4.35Å; V542-A556 PolarHBondContact N-O 3.07Å; V542-A556 PolarHBondContact O-N 3.47Å; F545-A556 HydrophobicContact CB-CB 3.73Å; F545-A556 HydrophobicContact CD1-CB 3.57Å; F545-A556 HydrophobicContact CD2-CB 3.96Å; F545-A556 HydrophobicContact CE1-CB 4.12Å; F545-A556 HydrophobicContact CE2-CB 4.49Å; F545-A556 HydrophobicContact CG-CB 3.46Å; F545-A556 VanDerWaalsContact CG-CB 3.46Å
557V97.2Very high92.9Very high24 Ų2434.2 Ų34.215%0.14519%0.186CC..EExtended strand (participates in β ladder)trans-114119.8167.6176.20000108K470 L472 P539 E540K470-V557 PolarHBondContact N-O 2.88Å; K470-V557 PolarHBondContact O-N 3.45Å; L472-V557 HydrophobicContact CD1-CG2 3.92Å; P539-V557 HydrophobicContact CB-CG1 3.49Å; P539-V557 VanDerWaalsContact CB-CG1 3.49Å; E540-V557 CarbonylContact O-C 3.58Å; E540-V557 WeakPolarHBondContact O-CA 3.28Å
558K96.3Very high93.5Very high51 Ų5134.5 Ų34.522%0.22219%0.187CC..EExtended strand (participates in β ladder)trans-95.9138.7174.4-169.6171.7-169.1-99.50109.6E467 K468 P539 E540 V542E467-K558 IonicContact OE1-NZ 3.48Å; E467-K558 PolarHBondContact OE1-NZ 3.3Å; E467-K558 VanDerWaalsContact OE2-CE 3.28Å; E467-K558 WeakPolarHBondContact OE2-CE 3.3Å; E467-K558 IonicContact OE2-NZ 2.93Å; E467-K558 PolarHBondContact OE2-NZ 3.2Å; K468-K558 CarbonylContact O-C 3.42Å; K468-K558 WeakPolarHBondContact O-CA 3.31Å; P539-K558 WeakPolarHBondContact CA-O 2.97Å; E540-K558 PolarHBondContact N-O 2.7Å; E540-K558 PolarHBondContact O-N 3.4Å; V542-K558 HydrophobicContact CG2-CB 3.85Å
559T96.2Very high94Very high28 Ų2833 Ų3317%0.17218%0.178CC..EExtended strand (participates in β ladder)trans-138.8131.4172.6-56.50000109.1K468 R561K468-T559 PolarHBondContact N-O 2.81Å; K468-T559 PolarHBondContact O-N 3.38Å; T559-R561 HydrophobicContact CG2-CG 4.39Å
560T96.3Very high94.7Very high25 Ų2531.4 Ų31.415%0.15316%0.164CC..EExtended strand (participates in β ladder)trans-108.6133.6-178.5-54.60000109.7V465 E466V465-T560 HydrophobicContact CG1-CG2 3.47Å; V465-T560 VanDerWaalsContact CG1-CG2 3.47Å; E466-T560 WeakPolarHBondContact O-CA 3.5Å
561R97.1Very high95.3Very high76 Ų7628 Ų2829%0.28715%0.146SC..EExtended strand (participates in β ladder)trans-140.7168.4179.5-65.6-63.8170.3123.8-7.4111.2V465 E466 G537 T559 Q601 L602V465-R561 WeakPolarHBondContact CA-O 3.44Å; E466-R561 HydrophobicContact CB-CB 4.35Å; E466-R561 PolarHBondContact N-O 2.92Å; E466-R561 PolarHBondContact O-N 2.89Å; G537-R561 PolarHBondContact O-NH2 2.77Å; T559-R561 HydrophobicContact CG2-CG 4.39Å; R561-Q601 PolarHBondContact NH1-O 2.88Å; R561-L602 WeakPolarHBondContact CB-O 3.35Å; R561-L602 WeakPolarHBondContact CD-O 3.48Å
562F97.8Very high96Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-92.4112.6174.3-73.7-94.1000110F463 M487 Y536 S564 F565 L569 I599 L602 R603 G604F463-F562 AromaticContact CD2-CD1 3.52Å; F463-F562 HydrophobicContact CD2-CD1 3.52Å; F463-F562 AromaticContact CD2-CE1 3.62Å; F463-F562 HydrophobicContact CD2-CE1 3.62Å; F463-F562 HydrophobicContact CE1-CE1 4.46Å; F463-F562 AromaticContact CE2-CD1 3.62Å; F463-F562 HydrophobicContact CE2-CD1 3.62Å; F463-F562 AromaticContact CE2-CE1 3.29Å; F463-F562 HydrophobicContact CE2-CE1 3.29Å; F463-F562 HydrophobicContact CE2-CZ 4.27Å; F463-F562 HydrophobicContact CG-CD1 4.34Å; F463-F562 HydrophobicContact CG-CE1 4.33Å; F463-F562 AromaticContact CZ-CE1 3.78Å; F463-F562 HydrophobicContact CZ-CE1 3.78Å; M487-F562 HydrophobicContact CB-CZ 4.02Å; M487-F562 HydrophobicContact CE-CE2 4.48Å; M487-F562 HydrophobicContact CG-CE2 4.5Å; M487-F562 HydrophobicContact CG-CZ 3.85Å; M487-F562 HydrophobicContact SD-CE2 4.08Å; M487-F562 HydrophobicContact SD-CZ 3.71Å; Y536-F562 HydrophobicContact CE1-CD2 4.49Å; Y536-F562 AromaticContact CE1-CE2 3.81Å; Y536-F562 HydrophobicContact CE1-CE2 3.81Å; F562-S564 VanDerWaalsContact C-N 3.31Å; F562-F565 HydrophobicContact CB-CD1 3.81Å; F562-F565 HydrophobicContact CB-CE1 3.33Å; F562-F565 HydrophobicContact CB-CZ 3.93Å; F562-F565 AromaticContact CD1-CD1 3.97Å; F562-F565 HydrophobicContact CD1-CD1 3.97Å; F562-F565 HydrophobicContact CD1-CE1 4.01Å; F562-F565 AromaticContact CD2-CE1 3.78Å; F562-F565 HydrophobicContact CD2-CE1 3.78Å; F562-F565 AromaticContact CG-CD1 3.88Å; F562-F565 HydrophobicContact CG-CD1 3.88Å; F562-F565 AromaticContact CG-CE1 3.45Å; F562-F565 HydrophobicContact CG-CE1 3.45Å; F562-F565 VanDerWaalsContact CG-CE1 3.45Å; F562-F565 HydrophobicContact CG-CZ 4.41Å; F562-L569 HydrophobicContact CE1-CD1 3.93Å; F562-L569 HydrophobicContact CZ-CD1 4.17Å; F562-I599 HydrophobicContact CE2-CD1 4.4Å; F562-L602 HydrophobicContact CD2-CB 4.07Å; F562-L602 HydrophobicContact CE2-CD1 4.45Å; F562-L602 PolarHBondContact N-O 3.13Å; F562-R603 CarbonylContact O-C 3.57Å; F562-R603 WeakPolarHBondContact O-CA 3.45Å; F562-G604 PolarHBondContact O-N 2.55Å
563A97.1Very high96.7Very high20 Ų2021.8 Ų21.817%0.16511%0.111CC..SBendtrans-71.2-30.8168.800000111.4L464 E466 R603L464-A563 HydrophobicContact CB-CB 3.68Å; L464-A563 PolarHBondContact O-N 3.46Å; E466-A563 HydrophobicContact CB-CB 4.16Å; A563-R603 PolarHBondContact O-NH1 3.38Å
564S97.3Very high97Very high3 Ų320.8 Ų20.82%0.02111%0.106CC..SBendtrans-138.6159.7171.668.50000112.3L464 F562 D796L464-S564 PolarHBondContact N-OG 3.47Å; L464-S564 PolarHBondContact O-N 3.41Å; F562-S564 VanDerWaalsContact C-N 3.31Å; S564-D796 VanDerWaalsContact CA-OD1 3.3Å; S564-D796 WeakPolarHBondContact CA-OD1 3.43Å; S564-D796 WeakPolarHBondContact CB-OD1 3.33Å
565F98.4Very high97Very high2 Ų219.9 Ų19.91%0.00910%0.099CC..  trans-115.9120.4178.9-75.2-47.2000110.9F562 I599 R603 R795 D796 G799 Y801 R855F562-F565 HydrophobicContact CB-CD1 3.81Å; F562-F565 HydrophobicContact CB-CE1 3.33Å; F562-F565 HydrophobicContact CB-CZ 3.93Å; F562-F565 AromaticContact CD1-CD1 3.97Å; F562-F565 HydrophobicContact CD1-CD1 3.97Å; F562-F565 HydrophobicContact CD1-CE1 4.01Å; F562-F565 AromaticContact CD2-CE1 3.78Å; F562-F565 HydrophobicContact CD2-CE1 3.78Å; F562-F565 AromaticContact CG-CD1 3.88Å; F562-F565 HydrophobicContact CG-CD1 3.88Å; F562-F565 AromaticContact CG-CE1 3.45Å; F562-F565 HydrophobicContact CG-CE1 3.45Å; F562-F565 VanDerWaalsContact CG-CE1 3.45Å; F562-F565 HydrophobicContact CG-CZ 4.41Å; F565-I599 HydrophobicContact CD1-CD1 3.87Å; F565-I599 HydrophobicContact CD1-CG1 4.3Å; F565-I599 HydrophobicContact CE1-CD1 3.57Å; F565-I599 HydrophobicContact CE1-CG1 3.81Å; F565-I599 HydrophobicContact CZ-CD1 4.47Å; F565-I599 HydrophobicContact CZ-CG1 4.24Å; F565-I599 WeakPolarHBondContact CZ-O 3.44Å; F565-R603 HydrophobicContact CE2-CB 4Å; F565-R603 HydrophobicContact CZ-CB 4.12Å; F565-R795 VanDerWaalsContact O-O 3.12Å; F565-D796 PolarHBondContact N-OD1 2.91Å; F565-G799 VanDerWaalsContact CD2-N 3.32Å; F565-Y801 WeakPolarHBondContact CB-OH 3.21Å; F565-R855 PolarHBondContact O-NH1 2.9Å
566P98.1Very high96.7Very high0 Ų021.2 Ų21.20%010%0.102CC..  trans-72.7167.6-174.731.1-35000112.4F461 F463 L569 Y801 R855F461-P566 WeakPolarHBondContact O-CB 3.45Å; F463-P566 HydrophobicContact CB-CB 4.16Å; F463-P566 HydrophobicContact CB-CG 4.07Å; F463-P566 HydrophobicContact CD1-CG 3.95Å; F463-P566 HydrophobicContact CG-CG 4.29Å; P566-L569 HydrophobicContact CG-CB 4.12Å; P566-L569 HydrophobicContact CG-CD1 4.05Å; P566-Y801 VanDerWaalsContact CD-OH 3.29Å; P566-Y801 WeakPolarHBondContact CD-OH 3.44Å; P566-Y801 WeakPolarHBondContact O-CE1 3.47Å; P566-Y801 PolarHBondContact O-OH 2.9Å; P566-R855 PolarHBondContact O-NH1 3.18Å; P566-R855 VanDerWaalsContact O-NH1 3.15Å
567D98.3Very high96.5Very high12 Ų1224.6 Ų24.66%0.06412%0.123CC..SBendtrans-66.1-43.3173.9-61.2-8.8000110.5V460 R795 R855V460-D567 HydrophobicContact CG2-CB 3.65Å; V460-D567 PolarHBondContact O-N 3.28Å; D567-R795 WeakPolarHBondContact OD2-CD 3.34Å; D567-R795 IonicContact OD2-CZ 2.93Å; D567-R795 IonicContact OD2-NE 2.94Å; D567-R795 IonicContact OD2-NH1 2.82Å; D567-R795 PolarHBondContact OD2-NH1 3.3Å; D567-R855 VanDerWaalsContact N-NH1 3.17Å; D567-R855 VanDerWaalsContact O-CB 3.31Å; D567-R855 WeakPolarHBondContact O-CB 3.26Å; D567-R855 PolarHBondContact O-N 2.82Å; D567-R855 IonicContact OD1-CZ 3.13Å; D567-R855 IonicContact OD1-NH1 2.68Å; D567-R855 PolarHBondContact OD1-NH1 3.15Å; D567-R855 IonicContact OD1-NH2 2.88Å; D567-R855 PolarHBondContact OD1-NH2 2.72Å
568Y98.5Very high95.9Very high7 Ų729.5 Ų29.53%0.02714%0.142CC..EExtended strand (participates in β ladder)trans-121.3112.3172.6-77.8-108.7000109.4I347 V460 F804 Y853 Q854I347-Y568 HydrophobicContact CD1-CD1 4.1Å; I347-Y568 HydrophobicContact CD1-CE1 4.37Å; I347-Y568 HydrophobicContact CD1-CG 4.43Å; I347-Y568 HydrophobicContact CG1-CD1 4.1Å; I347-Y568 HydrophobicContact CG1-CE1 3.87Å; I347-Y568 HydrophobicContact CG2-CD2 4.28Å; I347-Y568 HydrophobicContact CG2-CE2 3.99Å; V460-Y568 HydrophobicContact CG2-CD2 3.35Å; V460-Y568 HydrophobicContact CG2-CE2 4.02Å; V460-Y568 HydrophobicContact CG2-CG 4.14Å; V460-Y568 PolarHBondContact O-N 3.47Å; Y568-F804 HydrophobicContact CD1-CD1 4.11Å; Y568-F804 HydrophobicContact CD1-CG 4.43Å; Y568-F804 HydrophobicContact CE1-CB 4.34Å; Y568-F804 AromaticContact CE1-CD1 3.68Å; Y568-F804 HydrophobicContact CE1-CD1 3.68Å; Y568-F804 HydrophobicContact CE1-CD2 4.08Å; Y568-F804 AromaticContact CE1-CE1 3.9Å; Y568-F804 HydrophobicContact CE1-CE1 3.9Å; Y568-F804 HydrophobicContact CE1-CE2 4.29Å; Y568-F804 AromaticContact CE1-CG 3.76Å; Y568-F804 HydrophobicContact CE1-CG 3.76Å; Y568-F804 HydrophobicContact CE1-CZ 4.19Å; Y568-Y853 CarbonylContact C-O 3.59Å; Y568-Y853 VanDerWaalsContact CA-O 3.23Å; Y568-Y853 WeakPolarHBondContact CA-O 3.47Å; Y568-Q854 HydrophobicContact CD1-CB 4.14Å; Y568-Q854 HydrophobicContact CE1-CB 3.74Å; Y568-Q854 HydrophobicContact CE1-CG 3.96Å; Y568-Q854 HydrophobicContact CE2-CG 4.04Å; Y568-Q854 PolarHBondContact OH-NE2 2.86Å
569L98.6Very high95.2Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-83.4121.7175.3177.369.2000109.8M487 F562 P566 I571 L597 I599 Y801 Y853M487-L569 HydrophobicContact CB-CD1 4.23Å; F562-L569 HydrophobicContact CE1-CD1 3.93Å; F562-L569 HydrophobicContact CZ-CD1 4.17Å; P566-L569 HydrophobicContact CG-CB 4.12Å; P566-L569 HydrophobicContact CG-CD1 4.05Å; L569-I571 HydrophobicContact CD2-CD1 3.98Å; L569-I571 HydrophobicContact CD2-CG1 4.06Å; L569-I571 HydrophobicContact CG-CD1 4.44Å; L569-I571 HydrophobicContact CG-CG1 3.99Å; L569-L597 HydrophobicContact CD2-CD2 4.2Å; L569-I599 HydrophobicContact CD2-CD1 3.5Å; L569-Y801 HydrophobicContact CB-CD1 4.13Å; L569-Y801 HydrophobicContact CB-CE1 3.72Å; L569-Y801 HydrophobicContact CB-CE2 4.41Å; L569-Y801 HydrophobicContact CD2-CE2 4.29Å; L569-Y853 PolarHBondContact N-O 3.19Å; L569-Y853 PolarHBondContact O-N 2.57Å
570V98.8Very high94.4Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-96.2126.3173.5-169.60000109F440 F461 I486 M487 I850 Y851 F852F440-V570 HydrophobicContact CE1-CG1 4.47Å; F440-V570 HydrophobicContact CE1-CG2 4.47Å; F440-V570 HydrophobicContact CZ-CG2 3.99Å; F461-V570 HydrophobicContact CD1-CG2 3.54Å; F461-V570 HydrophobicContact CE1-CG2 3.88Å; F461-V570 HydrophobicContact CG-CG2 4.26Å; I486-V570 HydrophobicContact CG1-CB 4.22Å; I486-V570 HydrophobicContact CG1-CG1 4.03Å; I486-V570 HydrophobicContact CG2-CG1 4.23Å; M487-V570 PolarHBondContact N-O 2.85Å; V570-I850 HydrophobicContact CG1-CG2 3.61Å; V570-Y851 CarbonylContact C-O 3.52Å; V570-Y851 WeakPolarHBondContact CA-O 3.33Å; V570-F852 HydrophobicContact CB-CE1 4.47Å; V570-F852 HydrophobicContact CG1-CD1 4.35Å; V570-F852 HydrophobicContact CG1-CE1 3.95Å; V570-F852 HydrophobicContact CG1-CZ 4.17Å; V570-F852 HydrophobicContact CG2-CD1 3.82Å; V570-F852 HydrophobicContact CG2-CE1 3.74Å
571I98.7Very high93.8Very high2 Ų240.9 Ų40.91%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-118.4121178.5-55-178.7000109.1M487 L489 L569 I573 M593 L597 I850 Y851 Y853M487-I571 HydrophobicContact CB-CG1 4.44Å; M487-I571 CarbonylContact O-C 3.59Å; M487-I571 WeakPolarHBondContact O-CA 3.22Å; M487-I571 HydrophobicContact SD-CD1 4.34Å; M487-I571 HydrophobicContact SD-CG1 4.28Å; L489-I571 HydrophobicContact CB-CG2 3.7Å; L489-I571 HydrophobicContact CD2-CG2 4.24Å; L489-I571 HydrophobicContact CG-CG2 4.5Å; L569-I571 HydrophobicContact CD2-CD1 3.98Å; L569-I571 HydrophobicContact CD2-CG1 4.06Å; L569-I571 HydrophobicContact CG-CD1 4.44Å; L569-I571 HydrophobicContact CG-CG1 3.99Å; I571-I573 HydrophobicContact CG2-CD1 4.27Å; I571-M593 HydrophobicContact CD1-CE 4.26Å; I571-M593 HydrophobicContact CG2-CE 4.42Å; I571-L597 HydrophobicContact CD1-CD2 3.96Å; I571-I850 CarbonylContact O-C 3.51Å; I571-I850 WeakPolarHBondContact O-CA 3.15Å; I571-Y851 PolarHBondContact N-O 3.04Å; I571-Y851 PolarHBondContact O-N 3.26Å; I571-Y853 HydrophobicContact CD1-CD2 3.79Å; I571-Y853 HydrophobicContact CD1-CE2 3.86Å; I571-Y853 HydrophobicContact CG1-CD2 4.34Å
572Q98.4Very high93Very high18 Ų1846.9 Ų46.98%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-96.2125.1168.5-179.9-171.92100109.1Q437 I486 M487 L489 K574 Y849Q437-Q572 HydrophobicContact CG-CG 4.38Å; I486-Q572 HydrophobicContact CG2-CB 3.67Å; M487-Q572 PolarHBondContact O-N 2.56Å; L489-Q572 PolarHBondContact N-O 3.22Å; Q572-K574 PolarHBondContact O-N 2.83Å; Q572-Y849 HydrophobicContact CG-CD2 4.48Å; Q572-Y849 HydrophobicContact CG-CE2 3.71Å; Q572-Y849 PolarHBondContact NE2-OH 2.79Å
573I97.9Very high91.5Very high3 Ų350.2 Ų50.22%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-77.9119.7170.1-52.2-56.6000108.5L489 V491 I571 K575 I591 M593 Y849 Y851L489-I573 HydrophobicContact CB-CD1 4.27Å; L489-I573 HydrophobicContact CD2-CD1 3.7Å; V491-I573 HydrophobicContact CG2-CG2 3.47Å; V491-I573 VanDerWaalsContact CG2-CG2 3.47Å; I571-I573 HydrophobicContact CG2-CD1 4.27Å; I573-K575 HydrophobicContact CG2-CB 3.98Å; I573-K575 HydrophobicContact CG2-CD 4.38Å; I573-K575 HydrophobicContact CG2-CG 4.29Å; I573-K575 PolarHBondContact O-N 3.36Å; I573-I591 HydrophobicContact CG2-CD1 3.77Å; I573-M593 HydrophobicContact CD1-CE 4.16Å; I573-M593 HydrophobicContact CD1-SD 3.98Å; I573-Y849 PolarHBondContact N-O 3.33Å; I573-Y849 WeakPolarHBondContact O-CE2 3.33Å; I573-Y851 HydrophobicContact CD1-CD2 4.13Å; I573-Y851 HydrophobicContact CD1-CE2 4.02Å; I573-Y851 HydrophobicContact CG1-CD2 3.94Å; I573-Y851 HydrophobicContact CG1-CE2 3.58Å
574K95.7Very high90.5Very high99 Ų9952.5 Ų52.543%0.4327%0.266SS..  trans-76.460175.8-60.5-170.586.3150.70111.3Q488 L489 Q572 F576Q488-K574 HydrophobicContact CB-CD 3.87Å; Q488-K574 HydrophobicContact CB-CG 4.03Å; L489-K574 WeakPolarHBondContact O-CB 3.15Å; L489-K574 PolarHBondContact O-N 3.01Å; Q572-K574 PolarHBondContact O-N 2.83Å; K574-F576 PolarHBondContact O-N 3.03Å; K574-F576 VanDerWaalsContact O-N 3.1Å
575K90.4Very high89.6Confident6 Ų658 Ų583%0.02629%0.29CS..  trans-8541.4-179.461.7-178.4175.9-172.30113.1I573 L587 V589 L847 G848 Y849I573-K575 HydrophobicContact CG2-CB 3.98Å; I573-K575 HydrophobicContact CG2-CD 4.38Å; I573-K575 HydrophobicContact CG2-CG 4.29Å; I573-K575 PolarHBondContact O-N 3.36Å; K575-L587 HydrophobicContact CB-CB 4.16Å; K575-L587 PolarHBondContact O-N 2.99Å; K575-V589 HydrophobicContact CB-CG2 4.15Å; K575-L847 PolarHBondContact NZ-O 3.03Å; K575-G848 VanDerWaalsContact NZ-C 3.33Å; K575-G848 PolarHBondContact NZ-O 3.26Å; K575-Y849 HydrophobicContact CG-CD2 4.39Å
576F88.6Confident88.9Confident69 Ų6958.4 Ų58.430%0.30329%0.292SS..EExtended strand (participates in β ladder)trans-140.1144.3175.7-49.9-83000109.7K574 K585 K586 T814 Y849K574-F576 PolarHBondContact O-N 3.03Å; K574-F576 VanDerWaalsContact O-N 3.1Å; F576-K585 WeakPolarHBondContact CA-O 3.41Å; F576-K586 HydrophobicContact CD1-CB 4.22Å; F576-K586 HydrophobicContact CD1-CG 4.27Å; F576-K586 HydrophobicContact CE1-CB 4.28Å; F576-K586 HydrophobicContact CE1-CG 4Å; F576-T814 HydrophobicContact CD1-CG2 3.96Å; F576-T814 HydrophobicContact CE1-CG2 4.42Å; F576-Y849 HydrophobicContact CE2-CD2 4.24Å; F576-Y849 AromaticContact CE2-CE2 3.5Å; F576-Y849 HydrophobicContact CE2-CE2 3.5Å; F576-Y849 VanDerWaalsContact CE2-CE2 3.5Å; F576-Y849 AromaticContact CE2-CZ 3.72Å; F576-Y849 HydrophobicContact CZ-CE2 4.14Å
577T90.9Very high88.4Confident72 Ų7259.6 Ų59.644%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-147.6170.3175.6-166.40000110.2K585 L587T577-K585 PolarHBondContact N-O 3.4Å; T577-K585 PolarHBondContact O-N 2.8Å; T577-L587 HydrophobicContact CG2-CD2 3.65Å; T577-L587 HydrophobicContact CG2-CG 4.24Å
578F85.6Confident87.7Confident127 Ų12760.9 Ų60.956%0.55731%0.305SS*.EExtended strand (participates in β ladder)trans-86.1129.4171-68.4-69.8000110.5W582 P584F578-W582 HydrophobicContact CB-CE3 4.27Å; F578-W582 HydrophobicContact CD1-CE3 4.28Å; F578-W582 WeakPolarHBondContact CD1-O 3.44Å; F578-W582 HydrophobicContact CD2-CE3 4.27Å; F578-W582 HydrophobicContact CD2-CZ3 4.35Å; F578-W582 HydrophobicContact CG-CE3 4.02Å; F578-W582 HydrophobicContact CG-CZ3 4.49Å; F578-P584 HydrophobicContact CE1-CG 4.27Å
579G79.7Confident87.3Confident33 Ų3360.9 Ų60.934%0.3431%0.305SS..  trans-82.6-163.7169.500000112.3V583G579-V583 PolarHBondContact N-O 3.25Å
580L79.4Confident87.2Confident158 Ų15861.8 Ų61.883%0.82731%0.312SS*.G310 helixtrans-60.5146.3168.1-58.9172.8000109.3W582 V583L580-W582 PolarHBondContact O-N 3.47Å; L580-V583 PolarHBondContact O-N 3.44Å
581D84.6Confident87.1Confident151 Ų15161.9 Ų61.981%0.80731%0.312SS*.G310 helixtrans59.524.8-179.1-52.5-38000115.7V583D581-V583 PolarHBondContact O-N 3.44Å
582W80.5Confident86.9Confident203 Ų20367.4 Ų67.477%0.76934%0.338SS*.G310 helixtrans63.418.3179.5-56.597.4000114.9F578 L580 P584F578-W582 HydrophobicContact CB-CE3 4.27Å; F578-W582 HydrophobicContact CD1-CE3 4.28Å; F578-W582 WeakPolarHBondContact CD1-O 3.44Å; F578-W582 HydrophobicContact CD2-CE3 4.27Å; F578-W582 HydrophobicContact CD2-CZ3 4.35Å; F578-W582 HydrophobicContact CG-CE3 4.02Å; F578-W582 HydrophobicContact CG-CZ3 4.49Å; L580-W582 PolarHBondContact O-N 3.47Å; W582-P584 WeakPolarHBondContact O-CD 3.48Å
583V67Low86.9Confident69 Ų6966.5 Ų66.542%0.41833%0.334SS..  trans-73123.7174.4-178.40000109.5G579 L580 D581 K585G579-V583 PolarHBondContact N-O 3.25Å; L580-V583 PolarHBondContact O-N 3.44Å; D581-V583 PolarHBondContact O-N 3.44Å; V583-K585 PolarHBondContact O-N 3.12Å
584P75.8Confident86.9Confident68 Ų6868 Ų6844%0.44234%0.344SS..EExtended strand (participates in β ladder)trans-64.5128177.3-20.432.5000111.4F578 W582 T814F578-P584 HydrophobicContact CE1-CG 4.27Å; W582-P584 WeakPolarHBondContact O-CD 3.48Å; P584-T814 HydrophobicContact CB-CG2 4.21Å; P584-T814 VanDerWaalsContact O-CG2 3.29Å; P584-T814 WeakPolarHBondContact O-CG2 3.37Å; P584-T814 PolarHBondContact O-OG1 2.82Å
585K77.1Confident86.9Confident118 Ų11867 Ų6751%0.51334%0.341SS..EExtended strand (participates in β ladder)trans-117.5130.3-179.7-176.1178177.4-175.70110.6F576 T577 V583F576-K585 WeakPolarHBondContact CA-O 3.41Å; T577-K585 PolarHBondContact N-O 3.4Å; T577-K585 PolarHBondContact O-N 2.8Å; V583-K585 PolarHBondContact O-N 3.12Å
586K84Confident87.2Confident11 Ų1173.9 Ų73.95%0.04837%0.373CS..EExtended strand (participates in β ladder)trans-72129.4168.8-171.2-173-177.7-168.30108.3E306 F576 D588 H809 G811 T814E306-K586 IonicContact OE1-NZ 2.64Å; F576-K586 HydrophobicContact CD1-CB 4.22Å; F576-K586 HydrophobicContact CD1-CG 4.27Å; F576-K586 HydrophobicContact CE1-CB 4.28Å; F576-K586 HydrophobicContact CE1-CG 4Å; K586-D588 PolarHBondContact O-N 3.16Å; K586-H809 PolarHBondContact NZ-O 2.78Å; K586-G811 WeakPolarHBondContact CD-O 3.41Å; K586-G811 WeakPolarHBondContact CE-O 3.42Å; K586-G811 PolarHBondContact NZ-O 2.94Å; K586-T814 HydrophobicContact CB-CG2 4.02Å
587L87.8Confident87.6Confident25 Ų2570.9 Ų70.913%0.13136%0.36CS..  trans-80.7102.1167.6-59177.6000107M493 K575 T577 V589M493-L587 HydrophobicContact CG-CD1 4.26Å; M493-L587 HydrophobicContact CG-CD2 4.35Å; M493-L587 HydrophobicContact SD-CB 4.44Å; M493-L587 HydrophobicContact SD-CD1 4.16Å; M493-L587 HydrophobicContact SD-CD2 4.24Å; K575-L587 HydrophobicContact CB-CB 4.16Å; K575-L587 PolarHBondContact O-N 2.99Å; T577-L587 HydrophobicContact CG2-CD2 3.65Å; T577-L587 HydrophobicContact CG2-CG 4.24Å; L587-V589 VanDerWaalsContact C-N 3.29Å; L587-V589 HydrophobicContact CB-CG1 3.85Å; L587-V589 PolarHBondContact O-N 2.79Å
588D83.1Confident87.9Confident40 Ų4070.7 Ų70.721%0.21436%0.356CS..  trans-78.582.8176.4-165.614.4000109.9R524 K586R524-D588 WeakPolarHBondContact CD-OD1 3.17Å; R524-D588 IonicContact CZ-OD1 3.23Å; R524-D588 IonicContact NE-OD1 3.86Å; R524-D588 PolarHBondContact NE-OD1 2.91Å; R524-D588 IonicContact NE-OD2 2.77Å; K586-D588 PolarHBondContact O-N 3.16Å
589V91.7Very high88.5Confident6 Ų664.7 Ų64.74%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-113.2149.9-172.6-59.30000111V491 M493 A525 K575 L587 I591V491-V589 HydrophobicContact CG1-CB 4.49Å; V491-V589 HydrophobicContact CG1-CG1 4.11Å; V491-V589 HydrophobicContact CG1-CG2 4.19Å; M493-V589 HydrophobicContact CE-CG1 4.06Å; M493-V589 HydrophobicContact SD-CG1 3.57Å; M493-V589 VanDerWaalsContact SD-CG1 3.57Å; A525-V589 HydrophobicContact CB-CG1 4.2Å; A525-V589 WeakPolarHBondContact O-CA 3.25Å; K575-V589 HydrophobicContact CB-CG2 4.15Å; L587-V589 VanDerWaalsContact C-N 3.29Å; L587-V589 HydrophobicContact CB-CG1 3.85Å; L587-V589 PolarHBondContact O-N 2.79Å; V589-I591 HydrophobicContact CB-CG1 4.48Å; V589-I591 HydrophobicContact CG2-CD1 3.83Å; V589-I591 HydrophobicContact CG2-CG1 4.07Å
590S95.8Very high89.3Confident19 Ų1965.9 Ų65.913%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-108.7117.1168.6171.60000107.9A525 Q526 V527 D846A525-S590 PolarHBondContact O-N 2.91Å; Q526-S590 WeakPolarHBondContact CA-O 3.48Å; V527-S590 PolarHBondContact N-O 3.22Å; S590-D846 WeakPolarHBondContact CB-OD2 3.22Å; S590-D846 PolarHBondContact OG-OD2 2.76Å
591I96.8Very high90Very high3 Ų363.1 Ų63.12%0.01532%0.316CS..  trans-127.8100.7179-59.4168.3000107.4V491 V527 F529 I573 V589 M593 D846V491-I591 HydrophobicContact CG1-CD1 3.98Å; V491-I591 HydrophobicContact CG2-CD1 3.8Å; V527-I591 HydrophobicContact CB-CG1 4.06Å; F529-I591 HydrophobicContact CB-CG2 4.13Å; I573-I591 HydrophobicContact CG2-CD1 3.77Å; V589-I591 HydrophobicContact CB-CG1 4.48Å; V589-I591 HydrophobicContact CG2-CD1 3.83Å; V589-I591 HydrophobicContact CG2-CG1 4.07Å; I591-M593 HydrophobicContact CG2-SD 4.08Å; I591-M593 PolarHBondContact O-N 2.81Å; I591-D846 PolarHBondContact N-O 2.67Å; I591-D846 VanDerWaalsContact O-CA 3.24Å; I591-D846 WeakPolarHBondContact O-CA 3.41Å
592E95.2Very high90.6Very high117 Ų11756.3 Ų56.355%0.54728%0.28SS..  trans-62.8102.3177.9-176.563.4-149.100110.4F529F529-E592 WeakPolarHBondContact CB-O 3.35Å
593M97.1Very high91.4Very high0 Ų050.4 Ų50.40%026%0.257CS..  trans-79.5128.2179.2-68.4-65.9-74.300110L489 F529 I571 I573 I591 Y851 Y853L489-M593 HydrophobicContact CD2-SD 4.49Å; F529-M593 HydrophobicContact CD2-CE 4.23Å; F529-M593 HydrophobicContact CD2-SD 3.52Å; F529-M593 VanDerWaalsContact CD2-SD 3.52Å; F529-M593 HydrophobicContact CE2-CE 3.98Å; F529-M593 HydrophobicContact CE2-SD 3.9Å; F529-M593 HydrophobicContact CG-SD 4.49Å; I571-M593 HydrophobicContact CD1-CE 4.26Å; I571-M593 HydrophobicContact CG2-CE 4.42Å; I573-M593 HydrophobicContact CD1-CE 4.16Å; I573-M593 HydrophobicContact CD1-SD 3.98Å; I591-M593 HydrophobicContact CG2-SD 4.08Å; I591-M593 PolarHBondContact O-N 2.81Å; M593-Y851 HydrophobicContact CB-CD1 4.07Å; M593-Y851 HydrophobicContact CB-CE1 3.76Å; M593-Y851 HydrophobicContact CE-CD1 4.34Å; M593-Y851 HydrophobicContact CE-CD2 3.95Å; M593-Y851 HydrophobicContact CE-CE2 4.38Å; M593-Y851 HydrophobicContact CE-CG 3.92Å; M593-Y851 HydrophobicContact CG-CD1 3.92Å; M593-Y851 HydrophobicContact CG-CD2 4.2Å; M593-Y851 HydrophobicContact CG-CE1 3.5Å; M593-Y851 VanDerWaalsContact CG-CE1 3.5Å; M593-Y851 HydrophobicContact CG-CE2 3.78Å; M593-Y851 HydrophobicContact CG-CG 4.27Å; M593-Y851 HydrophobicContact SD-CE2 4.47Å; M593-Y853 HydrophobicContact CE-CE2 3.91Å
594P97.3Very high92.8Very high35 Ų3547.8 Ų47.823%0.22724%0.244CC..  trans-70.5144.2-172.530.2-36.9000111.8F529 E596 L597 Y853F529-P594 HydrophobicContact CD1-CG 3.81Å; F529-P594 HydrophobicContact CE1-CG 3.72Å; F529-P594 HydrophobicContact CG-CG 4.39Å; F529-P594 HydrophobicContact CZ-CG 4.23Å; P594-E596 VanDerWaalsContact C-N 3.3Å; P594-E596 WeakPolarHBondContact CB-O 3.1Å; P594-L597 HydrophobicContact CG-CB 4.42Å; P594-L597 HydrophobicContact CG-CD1 4.02Å; P594-Y853 WeakPolarHBondContact CD-OH 3.26Å; P594-Y853 VanDerWaalsContact O-CE1 3.25Å; P594-Y853 WeakPolarHBondContact O-CE1 3.21Å; P594-Y853 PolarHBondContact O-OH 2.98Å
595E96.1Very high93.7Very high77 Ų7749.3 Ų49.336%0.3625%0.252SS..SBendtrans-67.9-32.5171.3-76.7-153.9-165.200112.4Q802 L803 K824 K845E595-Q802 CarbonylContact O-C 3.58Å; E595-Q802 VanDerWaalsContact O-CA 3.22Å; E595-Q802 WeakPolarHBondContact O-CA 3.49Å; E595-L803 PolarHBondContact O-N 2.9Å; E595-K824 IonicContact OE2-NZ 3.58Å; E595-K824 PolarHBondContact OE2-NZ 3.29Å; E595-K845 HydrophobicContact CG-CD 4.47Å; E595-K845 IonicContact OE1-NZ 2.72Å; E595-K845 PolarHBondContact OE1-NZ 3.45Å
596E97.4Very high94.5Very high150 Ų15044.7 Ų44.770%0.70124%0.238SC*.EExtended strand (participates in β ladder)trans-115.3125176-62.4-170.215900109.3P594 Y801 Q802P594-E596 VanDerWaalsContact C-N 3.3Å; P594-E596 WeakPolarHBondContact CB-O 3.1Å; E596-Y801 WeakPolarHBondContact CA-O 3.48Å; E596-Q802 HydrophobicContact CG-CG 4.49Å
597L97.5Very high95Very high7 Ų747.8 Ų47.84%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-124.4114.9-174.4178.167.9000110.1F529 L569 I571 P594 I599 K800 Y801 Y853F529-L597 HydrophobicContact CE1-CD1 3.53Å; F529-L597 HydrophobicContact CZ-CD1 3.38Å; L569-L597 HydrophobicContact CD2-CD2 4.2Å; I571-L597 HydrophobicContact CD1-CD2 3.96Å; P594-L597 HydrophobicContact CG-CB 4.42Å; P594-L597 HydrophobicContact CG-CD1 4.02Å; L597-I599 HydrophobicContact CD1-CG2 3.8Å; L597-I599 HydrophobicContact CD2-CG2 4.14Å; L597-I599 HydrophobicContact CG-CG2 3.83Å; L597-K800 WeakPolarHBondContact O-CA 3.36Å; L597-Y801 PolarHBondContact N-O 3.27Å; L597-Y801 PolarHBondContact O-N 2.84Å; L597-Y853 HydrophobicContact CB-CD1 3.78Å; L597-Y853 HydrophobicContact CB-CE1 3.56Å; L597-Y853 HydrophobicContact CD2-CD1 3.91Å; L597-Y853 HydrophobicContact CD2-CD2 4.09Å; L597-Y853 HydrophobicContact CD2-CE1 3.96Å; L597-Y853 HydrophobicContact CD2-CE2 4.12Å; L597-Y853 HydrophobicContact CD2-CG 3.98Å; L597-Y853 HydrophobicContact CG-CD1 4.5Å; L597-Y853 HydrophobicContact CG-CE1 4.36Å
598D97.4Very high95.4Very high67 Ų6750.3 Ų50.336%0.35827%0.266SS..EExtended strand (participates in β ladder)trans-106.4113.2169.5-165.1-17.7000109.1S600 Q601 K800D598-S600 VanDerWaalsContact OD1-CB 3.23Å; D598-S600 WeakPolarHBondContact OD1-CB 3.49Å; D598-S600 PolarHBondContact OD1-N 3.07Å; D598-S600 PolarHBondContact OD1-OG 3.49Å; D598-Q601 PolarHBondContact O-NE2 2.88Å; D598-Q601 PolarHBondContact O-OE1 3.21Å; D598-K800 VanDerWaalsContact OD2-CE 3.22Å; D598-K800 WeakPolarHBondContact OD2-CE 3.32Å; D598-K800 IonicContact OD2-NZ 3Å
599I97.1Very high95.9Very high1 Ų154.7 Ų54.71%0.00530%0.296CS..  trans-117.516.1177.256.4166.8000111.8L533 F562 F565 L569 L597 Q601 L602 G799 Y801L533-I599 HydrophobicContact CD1-CG2 3.86Å; F562-I599 HydrophobicContact CE2-CD1 4.4Å; F565-I599 HydrophobicContact CD1-CD1 3.87Å; F565-I599 HydrophobicContact CD1-CG1 4.3Å; F565-I599 HydrophobicContact CE1-CD1 3.57Å; F565-I599 HydrophobicContact CE1-CG1 3.81Å; F565-I599 HydrophobicContact CZ-CD1 4.47Å; F565-I599 HydrophobicContact CZ-CG1 4.24Å; F565-I599 WeakPolarHBondContact CZ-O 3.44Å; L569-I599 HydrophobicContact CD2-CD1 3.5Å; L597-I599 HydrophobicContact CD1-CG2 3.8Å; L597-I599 HydrophobicContact CD2-CG2 4.14Å; L597-I599 HydrophobicContact CG-CG2 3.83Å; I599-Q601 PolarHBondContact O-N 3.16Å; I599-Q601 VanDerWaalsContact O-N 3.14Å; I599-L602 HydrophobicContact CB-CD1 4.32Å; I599-L602 HydrophobicContact CG2-CD1 4.35Å; I599-L602 WeakPolarHBondContact O-CB 3.45Å; I599-L602 PolarHBondContact O-N 2.88Å; I599-G799 WeakPolarHBondContact CG1-O 3.28Å; I599-G799 PolarHBondContact N-O 2.89Å; I599-Y801 HydrophobicContact CD1-CD2 4.31Å; I599-Y801 HydrophobicContact CD1-CE2 3.82Å; I599-Y801 HydrophobicContact CG1-CD2 4.16Å; I599-Y801 HydrophobicContact CG1-CE2 3.92Å
600S95.8Very high95.9Very high58 Ų5858.3 Ų58.341%0.40634%0.335SS..G310 helixtrans-56.8-30.1-179.9580000113.4D598 L602 R603D598-S600 VanDerWaalsContact OD1-CB 3.23Å; D598-S600 WeakPolarHBondContact OD1-CB 3.49Å; D598-S600 PolarHBondContact OD1-N 3.07Å; D598-S600 PolarHBondContact OD1-OG 3.49Å; S600-L602 PolarHBondContact O-N 2.92Å; S600-R603 VanDerWaalsContact O-CB 3.31Å; S600-R603 WeakPolarHBondContact O-CB 3.43Å; S600-R603 PolarHBondContact O-N 3.03Å; S600-R603 VanDerWaalsContact O-N 3.15Å
601Q95.8Very high95.9Very high100 Ų10060 Ų6047%0.46734%0.341SS..G310 helixtrans-63.1-18.7173.268.5-79.68.700114.4R561 D598 I599 R603R561-Q601 PolarHBondContact NH1-O 2.88Å; D598-Q601 PolarHBondContact O-NE2 2.88Å; D598-Q601 PolarHBondContact O-OE1 3.21Å; I599-Q601 PolarHBondContact O-N 3.16Å; I599-Q601 VanDerWaalsContact O-N 3.14Å; Q601-R603 VanDerWaalsContact C-N 3.35Å
602L96.6Very high95.7Very high9 Ų965.8 Ų65.85%0.04737%0.368CS..G310 helixtrans-926.5177.1-63.7180000113.1L533 Y536 R561 F562 I599 S600 G604L533-L602 HydrophobicContact CD1-CD1 3.98Å; L533-L602 HydrophobicContact CD2-CD1 4.37Å; L533-L602 HydrophobicContact CG-CD1 4.05Å; Y536-L602 HydrophobicContact CD1-CD1 4.2Å; R561-L602 WeakPolarHBondContact CB-O 3.35Å; R561-L602 WeakPolarHBondContact CD-O 3.48Å; F562-L602 HydrophobicContact CD2-CB 4.07Å; F562-L602 HydrophobicContact CE2-CD1 4.45Å; F562-L602 PolarHBondContact N-O 3.13Å; I599-L602 HydrophobicContact CB-CD1 4.32Å; I599-L602 HydrophobicContact CG2-CD1 4.35Å; I599-L602 WeakPolarHBondContact O-CB 3.45Å; I599-L602 PolarHBondContact O-N 2.88Å; S600-L602 PolarHBondContact O-N 2.92Å; L602-G604 PolarHBondContact O-N 2.6Å
603R97.6Very high95.6Very high79 Ų7965.8 Ų65.830%0.29837%0.368SS..BIsolated β-bridgetrans-64132.1173.5179149.2-74.1-114.84.3110.9F562 A563 F565 S600 Q601 D796 G797F562-R603 CarbonylContact O-C 3.57Å; F562-R603 WeakPolarHBondContact O-CA 3.45Å; A563-R603 PolarHBondContact O-NH1 3.38Å; F565-R603 HydrophobicContact CE2-CB 4Å; F565-R603 HydrophobicContact CZ-CB 4.12Å; S600-R603 VanDerWaalsContact O-CB 3.31Å; S600-R603 WeakPolarHBondContact O-CB 3.43Å; S600-R603 PolarHBondContact O-N 3.03Å; S600-R603 VanDerWaalsContact O-N 3.15Å; Q601-R603 VanDerWaalsContact C-N 3.35Å; R603-D796 IonicContact CZ-OD1 2.62Å; R603-D796 IonicContact CZ-OD2 3.83Å; R603-D796 IonicContact NH1-OD1 3.86Å; R603-D796 IonicContact NH1-OD2 2.94Å; R603-D796 PolarHBondContact NH1-OD2 2.85Å; R603-D796 IonicContact NH2-OD1 3.89Å; R603-D796 PolarHBondContact NH2-OD1 2.81Å; R603-D796 IonicContact NH2-OD2 3.89Å; R603-D796 PolarHBondContact NH2-OD2 3.29Å; R603-G797 PolarHBondContact NH2-O 3.02Å
604G95.6Very high95.3Very high13 Ų1366.4 Ų66.413%0.13437%0.371CS..  trans-69.5152.9170.300000110.8E466 F562 L602E466-G604 VanDerWaalsContact OE1-CA 3.24Å; E466-G604 WeakPolarHBondContact OE1-CA 3.4Å; F562-G604 PolarHBondContact O-N 2.55Å; L602-G604 PolarHBondContact O-N 2.6Å
605T95.5Very high94.7Very high101 Ų10167.6 Ų67.662%0.6238%0.379SS*.  trans-118.8-4.2-175.855.90000112.5E466 Q608E466-T605 PolarHBondContact OE1-N 3.24Å; E466-T605 PolarHBondContact OE2-N 2.91Å; T605-Q608 PolarHBondContact O-NE2 3.04Å; T605-Q608 PolarHBondContact OG1-NE2 3.23Å
606G94Very high93.7Very high21 Ų2169.3 Ų69.322%0.21639%0.391CS..  trans62-171.2-169.900000113E466 Y479 Q608E466-G606 PolarHBondContact OE1-N 3.31Å; E466-G606 WeakPolarHBondContact OE2-CA 3.44Å; E466-G606 PolarHBondContact OE2-N 3.48Å; Y479-G606 PolarHBondContact OH-O 3.48Å; G606-Q608 PolarHBondContact O-N 3.08Å; G606-Q608 PolarHBondContact O-NE2 3.47Å
607L93.8Very high91.8Very high76 Ų7668.4 Ų68.440%0.39839%0.389SS..SBendtrans-58.8126176.6-176.868000111.3V477 Y479 E611 E613V477-L607 HydrophobicContact CG2-CD1 3.67Å; Y479-L607 HydrophobicContact CD2-CB 4.08Å; Y479-L607 HydrophobicContact CD2-CD1 4.1Å; Y479-L607 HydrophobicContact CE2-CB 4.07Å; Y479-L607 HydrophobicContact CE2-CD1 3.79Å; L607-E611 HydrophobicContact CD1-CB 3.76Å; L607-E613 HydrophobicContact CD1-CG 3.95Å; L607-E613 HydrophobicContact CD2-CG 3.83Å
608Q95.8Very high89.2Confident77 Ų7771.9 Ų71.936%0.3642%0.419SS..PPolyproline II helixtrans-94.7150-178.9-62.7-55.3-68.300112.7T605 G606 G610 E611T605-Q608 PolarHBondContact O-NE2 3.04Å; T605-Q608 PolarHBondContact OG1-NE2 3.23Å; G606-Q608 PolarHBondContact O-N 3.08Å; G606-Q608 PolarHBondContact O-NE2 3.47Å; Q608-G610 PolarHBondContact O-N 2.79Å; Q608-E611 HydrophobicContact CB-CG 4.07Å; Q608-E611 PolarHBondContact N-OE2 2.84Å; Q608-E611 WeakPolarHBondContact O-CB 3.18Å; Q608-E611 PolarHBondContact O-N 2.8Å
609P93.4Very high86.4Confident132 Ų13271.4 Ų71.486%0.85742%0.419SS*.THydrogen-bonded Turntrans-58.1121.2171.1-22.433.2000111.4
610G92.6Very high83.4Confident83 Ų8377 Ų7786%0.85646%0.456SS*.THydrogen-bonded Turntrans101.4-8.1-177.200000114.3Q608Q608-G610 PolarHBondContact O-N 2.79Å
611E94.8Very high80.5Confident54 Ų5480.1 Ų80.125%0.25247%0.467SS..PPolyproline II helixtrans-82.6133.2166.6-64.4-172.8140.100110.2K468 V477 Y479 L607 Q608K468-E611 IonicContact NZ-OE1 3.44Å; K468-E611 PolarHBondContact NZ-OE1 3.49Å; K468-E611 IonicContact NZ-OE2 2.6Å; V477-E611 HydrophobicContact CG2-CB 3.81Å; Y479-E611 WeakPolarHBondContact CE2-OE2 3.46Å; Y479-E611 PolarHBondContact OH-OE1 2.77Å; Y479-E611 PolarHBondContact OH-OE2 3.1Å; L607-E611 HydrophobicContact CD1-CB 3.76Å; Q608-E611 HydrophobicContact CB-CG 4.07Å; Q608-E611 PolarHBondContact N-OE2 2.84Å; Q608-E611 WeakPolarHBondContact O-CB 3.18Å; Q608-E611 PolarHBondContact O-N 2.8Å
612E94Very high77.5Confident124 Ų12481 Ų8158%0.57948%0.48SS*.PPolyproline II helixtrans-96133.3174.2-68.3-173.8169.600110.3K476 V477K476-E612 CarbonylContact C-O 3.38Å; K476-E612 WeakPolarHBondContact CA-O 3.24Å; K476-E612 WeakPolarHBondContact CB-O 3.39Å; K476-E612 WeakPolarHBondContact CE-OE2 3.23Å; K476-E612 HydrophobicContact CG-CB 3.99Å; K476-E612 IonicContact NZ-OE2 2.74Å; V477-E612 PolarHBondContact N-O 2.89Å
613E93.4Very high74.3Confident118 Ų11886 Ų8655%0.55151%0.51SS*.BIsolated β-bridgetrans-75.8147.3178.3-70.3-171.813300112.5V477 L607V477-E613 CarbonylContact O-C 3.56Å; V477-E613 VanDerWaalsContact O-CA 3.26Å; V477-E613 WeakPolarHBondContact O-CA 3.42Å; L607-E613 HydrophobicContact CD1-CG 3.95Å; L607-E613 HydrophobicContact CD2-CG 3.83Å
614L89.3Confident71.4Confident13 Ų1387.9 Ų87.97%0.06853%0.533CS..PPolyproline II helixtrans-64.8131.2167.7-77.4165.8000109.1C471 K476 V477 K478 F545 A549C471-L614 HydrophobicContact CB-CD2 4.06Å; K476-L614 HydrophobicContact CB-CD2 3.68Å; K476-L614 HydrophobicContact CB-CG 3.85Å; V477-L614 PolarHBondContact O-N 3.18Å; K478-L614 HydrophobicContact CB-CB 4.48Å; K478-L614 HydrophobicContact CB-CD1 4.11Å; F545-L614 HydrophobicContact CZ-CD1 4.08Å; A549-L614 HydrophobicContact CB-CD2 3.9Å
615P86.2Confident68.4Low59 Ų5995 Ų9538%0.38357%0.568SS.*PPolyproline II helixtrans-56.8142.8174.7-22.332.5000111.1T548 A549T548-P615 WeakPolarHBondContact CB-O 3.4Å; T548-P615 WeakPolarHBondContact CG2-O 3.32Å; T548-P615 PolarHBondContact OG1-O 3.23Å; A549-P615 HydrophobicContact CB-CG 4.48Å
616D73.9Confident65.3Low114 Ų11498.9 Ų98.961%0.6158%0.579SS**PPolyproline II helixtrans-72158170.4-73-43.6000111.3K478 A618K478-D616 IonicContact NZ-OD1 3.94Å; K478-D616 PolarHBondContact NZ-OD1 3.1Å; D616-A618 PolarHBondContact O-N 3.3Å
617I58.6Low62.4Low130 Ų130103.8 Ų103.867%0.66761%0.607SS**SBendtrans-65.4-2.3-169.8-68.4163.6000113.5T548 P619T548-I617 HydrophobicContact CG2-CG1 3.68Å; I617-P619 VanDerWaalsContact O-CD 3.22Å; I617-P619 WeakPolarHBondContact O-CD 3.3Å
618A41.2Very low59.5Low80 Ų80110.5 Ų110.566%0.66163%0.633SS**SBendtrans-86.9108.2172.200000110.2D616D616-A618 PolarHBondContact O-N 3.3Å
619P40.2Very low56.4Low57 Ų57110.5 Ų110.537%0.3765%0.653SS.*  trans-61.7139.3169.1-12.427.9000108.4I617 L621 Y679I617-P619 VanDerWaalsContact O-CD 3.22Å; I617-P619 WeakPolarHBondContact O-CD 3.3Å; P619-L621 PolarHBondContact O-N 2.61Å; P619-L621 VanDerWaalsContact O-N 3.14Å; P619-Y679 HydrophobicContact CB-CD1 4.38Å; P619-Y679 HydrophobicContact CB-CE1 4.42Å; P619-Y679 HydrophobicContact CG-CD1 3.96Å; P619-Y679 HydrophobicContact CG-CE1 3.67Å
620P32.9Very low53.3Low118 Ų118109.5 Ų109.577%0.76665%0.649SS**  trans-58.1123.7173.922.7-29.9000108.8V622P620-V622 PolarHBondContact O-N 3.03Å
621L34.5Very low50.3Low124 Ų124113.8 Ų113.865%0.64965%0.652SS**  trans-53.4115167-83.5155.4000107.5P619 T623P619-L621 PolarHBondContact O-N 2.61Å; P619-L621 VanDerWaalsContact O-N 3.14Å; L621-T623 VanDerWaalsContact C-N 3.33Å; L621-T623 PolarHBondContact O-N 3.31Å
622V33.7Very low47Very low120 Ų120114.7 Ų114.773%0.72768%0.675SS**  trans-64.7100170-178.90000106.4P620P620-V622 PolarHBondContact O-N 3.03Å
623T30.4Very low43.9Very low113 Ų113117.6 Ų117.669%0.69369%0.686SS**PPolyproline II helixtrans-75.6131.5165.543.80000107.1L621 D625L621-T623 VanDerWaalsContact C-N 3.33Å; L621-T623 PolarHBondContact O-N 3.31Å; T623-D625 PolarHBondContact O-N 3.45Å
624P34.7Very low40.8Very low118 Ų118122.2 Ų122.277%0.76670%0.7SS**PPolyproline II helixtrans-60.6126.4176-19.130.3000109.7E626P624-E626 PolarHBondContact O-N 3.29Å
625D33.2Very low37.8Very low164 Ų164124.8 Ų124.888%0.87773%0.73SS**PPolyproline II helixtrans-49.5119.8172.8-81.1-41.9000111T623T623-D625 PolarHBondContact O-N 3.45Å
626E31.2Very low34.9Very low181 Ų181128.4 Ų128.485%0.84675%0.746SS**PPolyproline II helixtrans-69.2133.4166.4-78.6-157152.200110.3P624 K628P624-E626 PolarHBondContact O-N 3.29Å; E626-K628 PolarHBondContact O-N 3.32Å
627P33.5Very low32.8Very low125 Ų125130.2 Ų130.281%0.81275%0.751SS**PPolyproline II helixtrans-75.4124.4178.430.6-31.3000110.2G629P627-G629 PolarHBondContact O-N 2.59Å; P627-G629 VanDerWaalsContact O-N 3.14Å
628K32.9Very low31.3Very low217 Ų217131.5 Ų131.594%0.94376%0.759SS**  trans-55.4114167.5-71.5177.1177.2172.70110.6E626E626-K628 PolarHBondContact O-N 3.32Å
629G29Very low30.8Very low76 Ų76136.2 Ų136.278%0.78477%0.768SS**  trans-142112.8173.900000111.9P627P627-G629 PolarHBondContact O-N 2.59Å; P627-G629 VanDerWaalsContact O-N 3.14Å
630S28.5Very low30.2Very low111 Ų111141.1 Ų141.178%0.77679%0.791SS**  trans-74.5163.4-175.7173.30000114.8
631L29.3Very low29.9Very low174 Ų174140.7 Ų140.791%0.91179%0.79SS**  trans87.8133.7172.8-64.3138.3000115.4
632G27.5Very low29.5Very low72 Ų72144.2 Ų144.274%0.74280%0.801SS**  cis-175.4162.68.600000111
633F28.5Very low29.1Very low185 Ų185144.1 Ų144.181%0.81180%0.804SS**  trans-57.3143.9179.2-135.6-108.5000113.8
634Y28.1Very low28.9Very low216 Ų216144 Ų14485%0.84781%0.808SS**  162.5117123.2-93.8-74.7000113.1
635G26.3Very low28.7Very low67 Ų67144 Ų14469%0.69181%0.808SS**  61.2114.4119.400000122.7
636N25.9Very low28.3Very low135 Ų135145 Ų14572%0.72281%0.807SS**  81.8128.5128.6-84.620.1000123.7
637E28.1Very low28.1Very low152 Ų152146.4 Ų146.471%0.7181%0.811SS**  78.4104.7129.7-69.9168.1-179.100119.3
638D28.8Very low27.7Very low156 Ų156145.6 Ų145.683%0.83481%0.808SS**  150.7142.2107.2-81.2-26.5000113.7
639E30.9Very low27.5Very low180 Ų180140 Ų14084%0.84180%0.796SS**  trans-66.7141.5-179.1-57.9-177.7127.300113
640D26.6Very low27.7Very low160 Ų160142.4 Ų142.486%0.85680%0.798SS**  178122.1121.8-94.9-25.8000113.8
641S27.5Very low28Very low108 Ų108143.4 Ų143.476%0.75580%0.8SS**  trans74.7109.2135.8-147.50000123.2
642F25.1Very low28.5Very low198 Ų198138.1 Ų138.187%0.86878%0.777SS**  trans76.8132.5134.5-120.9-101000122.4
643C25.1Very low29.9Very low118 Ų118137.9 Ų137.980%0.79776%0.763SS**  trans100.4122.9165.5-76.50000118.5
644S26.1Very low31.7Very low111 Ų111137.4 Ų137.478%0.77677%0.765SS**  trans-52.5147.9-174.7-45.60000116.1
645P30.8Very low34.1Very low119 Ų119129 Ų12977%0.77374%0.735SS**  trans-89.9115.9157.425-11.2000109.8F647P645-F647 PolarHBondContact O-N 3.5Å
646H25.5Very low36.7Very low184 Ų184128.7 Ų128.785%0.85272%0.717SS**  trans-54119.9157.8-91.7-89.6000108.8S648H646-S648 PolarHBondContact O-N 2.86Å
647F25.7Very low39.4Very low210 Ų210128.8 Ų128.892%0.92171%0.713SS**  trans-63103.2164-103.3-98.1000108.3P645 S649P645-F647 PolarHBondContact O-N 3.5Å; F647-S649 PolarHBondContact O-N 3.24Å
648S26.4Very low42.2Very low109 Ų109125.1 Ų125.176%0.76271%0.705SS**  trans-69117.9162.8420000108.6H646H646-S648 PolarHBondContact O-N 2.86Å
649S27.6Very low44.9Very low98 Ų98118.1 Ų118.169%0.68567%0.667SS**  trans-56.1149.8170.143.80000111.4F647 T651F647-S649 PolarHBondContact O-N 3.24Å; S649-T651 PolarHBondContact O-N 3.35Å
650P34Very low47.6Very low128 Ų128109.8 Ų109.883%0.83163%0.628SS**  trans-65.8113.2174.524.6-26.7000108.8S652P650-S652 PolarHBondContact O-N 2.75Å
651T34.6Very low50.4Low131 Ų131106.4 Ų106.480%0.80461%0.609SS**PPolyproline II helixtrans-60.2123.9169.933.30000109.5S649S649-T651 PolarHBondContact O-N 3.35Å
652S40.2Very low53.4Low64 Ų64106 Ų10645%0.44860%0.596SS.*PPolyproline II helixtrans-51.1139169.5-52.30000110P650 M654P650-S652 PolarHBondContact O-N 2.75Å; S652-M654 PolarHBondContact O-N 2.87Å; S652-M654 VanDerWaalsContact O-N 3.14Å
653P55.7Low56.2Low66 Ų6696.6 Ų96.643%0.42956%0.555SS.*PPolyproline II helixtrans-62.1120.1-178.423.1-30.8000109.8L655 Y678P653-L655 PolarHBondContact O-N 2.65Å; P653-Y678 HydrophobicContact CG-CD2 4.15Å; P653-Y678 HydrophobicContact CG-CE2 3.74Å
654M66.7Low59.2Low176 Ų17693.7 Ų93.787%0.86753%0.533SS*.  trans-67.8113.6171.5-77.4-17473.200108.4S652 N682S652-M654 PolarHBondContact O-N 2.87Å; S652-M654 VanDerWaalsContact O-N 3.14Å; M654-N682 PolarHBondContact O-ND2 3.17Å
655L78.9Confident62.2Low40 Ų4096.1 Ų96.121%0.20953%0.532CS..  trans-69136.2176.1-66.6161.2000109.8P653 E657 I660 V677 Y678P653-L655 PolarHBondContact O-N 2.65Å; L655-E657 PolarHBondContact O-N 2.93Å; L655-I660 HydrophobicContact CB-CD1 4.02Å; L655-V677 HydrophobicContact CB-CG1 4.46Å; L655-V677 HydrophobicContact CD2-CB 4.23Å; L655-V677 HydrophobicContact CD2-CG1 3.99Å; L655-Y678 HydrophobicContact CD2-CD2 4.25Å
656D81.4Confident64.8Low59 Ų5995 Ų9532%0.31652%0.518SS..  trans-72.898.3176.9-170.7-16.6000110.6S658 V659 I660 V677 N682D656-S658 PolarHBondContact O-N 3.39Å; D656-S658 WeakPolarHBondContact OD1-CB 3.34Å; D656-S658 PolarHBondContact OD1-N 2.84Å; D656-S658 PolarHBondContact OD1-OG 3.29Å; D656-V659 HydrophobicContact CB-CB 4.48Å; D656-V659 HydrophobicContact CB-CG2 4.28Å; D656-V659 PolarHBondContact O-N 3.4Å; D656-I660 WeakPolarHBondContact O-CG1 3.2Å; D656-I660 PolarHBondContact O-N 3.38Å; D656-V677 HydrophobicContact CB-CG1 4.23Å; D656-N682 PolarHBondContact N-ND2 3.01Å; D656-N682 VanDerWaalsContact N-ND2 3.17Å
657E81.9Confident67.6Low137 Ų13789.4 Ų89.464%0.6451%0.509SS*.Hα-helixtrans-61.8-25.8179.7-72.3-159.9163.400113.1L655 V659 I660 I661L655-E657 PolarHBondContact O-N 2.93Å; E657-V659 PolarHBondContact O-N 3.09Å; E657-I660 PolarHBondContact O-N 3.41Å; E657-I661 WeakPolarHBondContact O-CD1 3.41Å; E657-I661 WeakPolarHBondContact O-CG1 3.36Å; E657-I661 PolarHBondContact O-N 2.74Å
658S86.1Confident70.4Confident76 Ų7681 Ų8153%0.53147%0.473SS..Hα-helixtrans-67.4-39.6-179.473.20000111.8D656 Q662D656-S658 PolarHBondContact O-N 3.39Å; D656-S658 WeakPolarHBondContact OD1-CB 3.34Å; D656-S658 PolarHBondContact OD1-N 2.84Å; D656-S658 PolarHBondContact OD1-OG 3.29Å; S658-Q662 PolarHBondContact O-N 3.07Å; S658-Q662 VanDerWaalsContact O-N 3.15Å
659V86.4Confident73.2Confident9 Ų978.6 Ų78.66%0.05545%0.454CS..Hα-helixtrans-69.3-39.6174.9175.80000111D656 E657 Q662 L663 V677 A685 A688D656-V659 HydrophobicContact CB-CB 4.48Å; D656-V659 HydrophobicContact CB-CG2 4.28Å; D656-V659 PolarHBondContact O-N 3.4Å; E657-V659 PolarHBondContact O-N 3.09Å; V659-Q662 PolarHBondContact O-N 2.64Å; V659-L663 HydrophobicContact CG1-CD1 4.04Å; V659-L663 HydrophobicContact CG1-CG 4.49Å; V659-L663 VanDerWaalsContact O-CG 3.32Å; V659-L663 WeakPolarHBondContact O-CG 3.48Å; V659-L663 PolarHBondContact O-N 3.26Å; V659-L663 VanDerWaalsContact O-N 3.08Å; V659-V677 HydrophobicContact CB-CG2 4.02Å; V659-V677 HydrophobicContact CG1-CG2 3.6Å; V659-A685 HydrophobicContact CG1-CB 4.07Å; V659-A685 HydrophobicContact CG2-CB 4.28Å; V659-A688 HydrophobicContact CG1-CB 3.81Å
660I86.4Confident75.8Confident4 Ų477.4 Ų77.42%0.02144%0.439CS..Hα-helixtrans-61.2-49.4177-65.2168.2000110.4L655 D656 E657 Q662 L663 V664 M670 C673 R674 V677L655-I660 HydrophobicContact CB-CD1 4.02Å; D656-I660 WeakPolarHBondContact O-CG1 3.2Å; D656-I660 PolarHBondContact O-N 3.38Å; E657-I660 PolarHBondContact O-N 3.41Å; I660-Q662 VanDerWaalsContact C-N 3.32Å; I660-Q662 PolarHBondContact O-N 2.99Å; I660-L663 PolarHBondContact O-N 3.18Å; I660-V664 HydrophobicContact CG2-CG2 4.41Å; I660-V664 WeakPolarHBondContact O-CG2 3.21Å; I660-V664 PolarHBondContact O-N 3.23Å; I660-M670 HydrophobicContact CG2-CE 3.55Å; I660-M670 HydrophobicContact CG2-SD 3.49Å; I660-M670 WeakPolarHBondContact CG2-SD 3.37Å; I660-C673 HydrophobicContact CG2-CB 3.99Å; I660-R674 HydrophobicContact CD1-CG 3.88Å; I660-R674 HydrophobicContact CG2-CG 4.45Å; I660-V677 HydrophobicContact CG1-CB 4.35Å; I660-V677 HydrophobicContact CG1-CG2 3.8Å
661I87Confident78.1Confident89 Ų8973.3 Ų73.346%0.45641%0.41SS..Hα-helixtrans-59.4-44.8179.5-67.2161.4000110.4E657 L663 V664 E665E657-I661 WeakPolarHBondContact O-CD1 3.41Å; E657-I661 WeakPolarHBondContact O-CG1 3.36Å; E657-I661 PolarHBondContact O-N 2.74Å; I661-L663 VanDerWaalsContact C-N 3.34Å; I661-L663 PolarHBondContact O-N 2.95Å; I661-V664 PolarHBondContact O-N 2.71Å; I661-E665 HydrophobicContact CG2-CG 4.45Å; I661-E665 WeakPolarHBondContact O-CG 3.08Å; I661-E665 PolarHBondContact O-N 3.24Å
662Q88.8Confident80.3Confident100 Ų10067 Ų6747%0.46737%0.372SS..Hα-helixtrans-59-43.4178.6-173.6179.4-0.100112.2S658 V659 I660 E665 M666S658-Q662 PolarHBondContact O-N 3.07Å; S658-Q662 VanDerWaalsContact O-N 3.15Å; V659-Q662 PolarHBondContact O-N 2.64Å; I660-Q662 VanDerWaalsContact C-N 3.32Å; I660-Q662 PolarHBondContact O-N 2.99Å; Q662-E665 PolarHBondContact O-N 3.46Å; Q662-M666 VanDerWaalsContact O-CG 3.3Å; Q662-M666 WeakPolarHBondContact O-CG 3.14Å; Q662-M666 PolarHBondContact O-N 2.88Å
663L85.6Confident82.4Confident1 Ų164 Ų641%0.00535%0.35CS..Hα-helixtrans-69.8-35.3178.5-66.6170.8000112.3V659 I660 I661 M666 G667 F668 C673 A688 M689 V692V659-L663 HydrophobicContact CG1-CD1 4.04Å; V659-L663 HydrophobicContact CG1-CG 4.49Å; V659-L663 VanDerWaalsContact O-CG 3.32Å; V659-L663 WeakPolarHBondContact O-CG 3.48Å; V659-L663 PolarHBondContact O-N 3.26Å; V659-L663 VanDerWaalsContact O-N 3.08Å; I660-L663 PolarHBondContact O-N 3.18Å; I661-L663 VanDerWaalsContact C-N 3.34Å; I661-L663 PolarHBondContact O-N 2.95Å; L663-M666 HydrophobicContact CD2-SD 4.44Å; L663-M666 WeakPolarHBondContact O-CB 3.39Å; L663-M666 PolarHBondContact O-N 3.29Å; L663-G667 PolarHBondContact O-N 2.89Å; L663-F668 HydrophobicContact CB-CD2 4.24Å; L663-F668 HydrophobicContact CD2-CD2 4.24Å; L663-F668 HydrophobicContact CD2-CE2 4.41Å; L663-F668 WeakPolarHBondContact O-CB 3.12Å; L663-F668 VanDerWaalsContact O-CD2 3.28Å; L663-F668 WeakPolarHBondContact O-CD2 3.17Å; L663-F668 PolarHBondContact O-N 2.7Å; L663-C673 HydrophobicContact CB-CB 4.02Å; L663-C673 WeakPolarHBondContact CB-SG 3.17Å; L663-C673 HydrophobicContact CD1-CB 4.23Å; L663-A688 HydrophobicContact CD1-CB 3.71Å; L663-M689 HydrophobicContact CD2-CB 3.75Å; L663-M689 HydrophobicContact CD2-CG 4.12Å; L663-V692 HydrophobicContact CD1-CG2 4.2Å
664V87.6Confident83.8Confident56 Ų5665.3 Ų65.334%0.33935%0.347SS..Hα-helixtrans-67.9-38.9175.51730000111.5I660 I661 M666 G667 M670 C673I660-V664 HydrophobicContact CG2-CG2 4.41Å; I660-V664 WeakPolarHBondContact O-CG2 3.21Å; I660-V664 PolarHBondContact O-N 3.23Å; I661-V664 PolarHBondContact O-N 2.71Å; V664-M666 PolarHBondContact O-N 3.01Å; V664-G667 WeakPolarHBondContact O-CA 3.4Å; V664-G667 PolarHBondContact O-N 3.42Å; V664-M670 HydrophobicContact CG2-CB 4.24Å; V664-M670 HydrophobicContact CG2-SD 3.62Å; V664-C673 HydrophobicContact CG2-CB 4.28Å
665E89.3Confident84.7Confident162 Ų16257.8 Ų57.876%0.75731%0.309SS*.Hα-helixtrans-62-28.7173.2-74.7-175.4169.900112.5I661 Q662 G667I661-E665 HydrophobicContact CG2-CG 4.45Å; I661-E665 WeakPolarHBondContact O-CG 3.08Å; I661-E665 PolarHBondContact O-N 3.24Å; Q662-E665 PolarHBondContact O-N 3.46Å; E665-G667 PolarHBondContact O-N 3.21Å
666M85.1Confident84.9Confident96 Ų9655.9 Ų55.947%0.47330%0.299SS..THydrogen-bonded Turntrans-75.3-4.4172.9-64.6174.769.300113.4Q662 L663 V664 F668 M689Q662-M666 VanDerWaalsContact O-CG 3.3Å; Q662-M666 WeakPolarHBondContact O-CG 3.14Å; Q662-M666 PolarHBondContact O-N 2.88Å; L663-M666 HydrophobicContact CD2-SD 4.44Å; L663-M666 WeakPolarHBondContact O-CB 3.39Å; L663-M666 PolarHBondContact O-N 3.29Å; V664-M666 PolarHBondContact O-N 3.01Å; M666-F668 HydrophobicContact CB-CD2 4.03Å; M666-F668 HydrophobicContact CB-CE2 4.01Å; M666-F668 HydrophobicContact CE-CE2 4.35Å; M666-M689 HydrophobicContact CE-CE 3.37Å; M666-M689 HydrophobicContact CE-CG 4.42Å; M666-M689 HydrophobicContact CE-SD 3.64Å; M666-M689 HydrophobicContact SD-SD 4.44Å
667G83.4Confident85.1Confident66 Ų6653.2 Ų53.268%0.6829%0.285SS*.THydrogen-bonded Turntrans98.37.9175.500000114.8L663 V664 E665L663-G667 PolarHBondContact O-N 2.89Å; V664-G667 WeakPolarHBondContact O-CA 3.4Å; V664-G667 PolarHBondContact O-N 3.42Å; E665-G667 PolarHBondContact O-N 3.21Å
668F85.6Confident85.2Confident34 Ų3448.3 Ų48.315%0.14926%0.261CS..  trans-80.5145.5177.5-60.7-63.7000112L663 M666 C673 M689 V692 M693 M696L663-F668 HydrophobicContact CB-CD2 4.24Å; L663-F668 HydrophobicContact CD2-CD2 4.24Å; L663-F668 HydrophobicContact CD2-CE2 4.41Å; L663-F668 WeakPolarHBondContact O-CB 3.12Å; L663-F668 VanDerWaalsContact O-CD2 3.28Å; L663-F668 WeakPolarHBondContact O-CD2 3.17Å; L663-F668 PolarHBondContact O-N 2.7Å; M666-F668 HydrophobicContact CB-CD2 4.03Å; M666-F668 HydrophobicContact CB-CE2 4.01Å; M666-F668 HydrophobicContact CE-CE2 4.35Å; F668-C673 VanDerWaalsContact CB-SG 3.58Å; F668-M689 HydrophobicContact CE2-CG 4.48Å; F668-V692 HydrophobicContact CB-CG1 3.92Å; F668-V692 HydrophobicContact CD1-CG1 3.39Å; F668-V692 HydrophobicContact CD2-CG1 4.07Å; F668-V692 HydrophobicContact CE1-CG1 3.82Å; F668-V692 HydrophobicContact CE2-CG1 4.44Å; F668-V692 HydrophobicContact CG-CG1 3.53Å; F668-V692 HydrophobicContact CZ-CG1 4.33Å; F668-M693 HydrophobicContact CZ-CG 4.22Å; F668-M696 HydrophobicContact CD1-CE 4.35Å; F668-M696 HydrophobicContact CE1-CE 3.7Å
669P84.6Confident85Confident58 Ų5848.3 Ų48.338%0.37725%0.25SC..  trans-60.5137.1177-22.733.3000112.7D671 A672 C673 F701P669-D671 VanDerWaalsContact C-N 3.31Å; P669-D671 PolarHBondContact O-N 2.95Å; P669-A672 HydrophobicContact CB-CB 4.24Å; P669-A672 WeakPolarHBondContact O-CB 3.22Å; P669-A672 PolarHBondContact O-N 3.46Å; P669-A672 VanDerWaalsContact O-N 3.08Å; P669-C673 PolarHBondContact O-N 2.65Å; P669-C673 PolarHBondContact O-SG 3.37Å; P669-F701 HydrophobicContact CG-CE1 3.98Å
670M83.3Confident84.9Confident73 Ų7349 Ų4936%0.3625%0.254SS..Hα-helixtrans-52.2-43.9-175.9-176.969.217700113.9I660 V664 C673 R674I660-M670 HydrophobicContact CG2-CE 3.55Å; I660-M670 HydrophobicContact CG2-SD 3.49Å; I660-M670 WeakPolarHBondContact CG2-SD 3.37Å; V664-M670 HydrophobicContact CG2-CB 4.24Å; V664-M670 HydrophobicContact CG2-SD 3.62Å; M670-C673 WeakPolarHBondContact O-CB 3.39Å; M670-C673 PolarHBondContact O-N 3.01Å; M670-R674 WeakPolarHBondContact O-CG 3.5Å; M670-R674 PolarHBondContact O-N 2.8Å
671D81.9Confident84.8Confident42 Ų4251.3 Ų51.323%0.22528%0.279CS..Hα-helixtrans-73.9-30.2-177.1-67.6-47.4000112.7P669 R674 K675 A702P669-D671 VanDerWaalsContact C-N 3.31Å; P669-D671 PolarHBondContact O-N 2.95Å; D671-R674 PolarHBondContact O-N 3.04Å; D671-R674 IonicContact OD1-CZ 3.35Å; D671-R674 IonicContact OD1-NH1 3.61Å; D671-R674 PolarHBondContact OD1-NH1 2.76Å; D671-K675 WeakPolarHBondContact O-CG 3.31Å; D671-K675 PolarHBondContact O-N 3.31Å; D671-A702 WeakPolarHBondContact CB-O 3.43Å
672A80.9Confident84.7Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-64.8-42.3169.100000111.7P669 R674 K675 A676 F701P669-A672 HydrophobicContact CB-CB 4.24Å; P669-A672 WeakPolarHBondContact O-CB 3.22Å; P669-A672 PolarHBondContact O-N 3.46Å; P669-A672 VanDerWaalsContact O-N 3.08Å; A672-R674 VanDerWaalsContact C-N 3.34Å; A672-R674 PolarHBondContact O-N 3.38Å; A672-K675 PolarHBondContact O-N 3.05Å; A672-A676 WeakPolarHBondContact O-CB 3.4Å; A672-A676 PolarHBondContact O-N 3.24Å; A672-F701 VanDerWaalsContact CA-O 3.26Å; A672-F701 WeakPolarHBondContact CA-O 3.43Å; A672-F701 HydrophobicContact CB-CD1 3.94Å; A672-F701 HydrophobicContact CB-CD2 3.66Å; A672-F701 HydrophobicContact CB-CE1 3.61Å; A672-F701 HydrophobicContact CB-CE2 3.34Å; A672-F701 HydrophobicContact CB-CG 3.98Å; A672-F701 HydrophobicContact CB-CZ 3.32Å; A672-F701 VanDerWaalsContact CB-O 3.3Å; A672-F701 WeakPolarHBondContact CB-O 3.35Å; A672-F701 PolarHBondContact N-O 3.2Å
673C84.8Confident84.4Confident0 Ų049.3 Ų49.30%028%0.279CS..Hα-helixtrans-63.1-40.3176-57.70000111.7I660 L663 V664 F668 P669 M670 A676 V677I660-C673 HydrophobicContact CG2-CB 3.99Å; L663-C673 HydrophobicContact CB-CB 4.02Å; L663-C673 WeakPolarHBondContact CB-SG 3.17Å; L663-C673 HydrophobicContact CD1-CB 4.23Å; V664-C673 HydrophobicContact CG2-CB 4.28Å; F668-C673 VanDerWaalsContact CB-SG 3.58Å; P669-C673 PolarHBondContact O-N 2.65Å; P669-C673 PolarHBondContact O-SG 3.37Å; M670-C673 WeakPolarHBondContact O-CB 3.39Å; M670-C673 PolarHBondContact O-N 3.01Å; C673-A676 PolarHBondContact O-N 3.19Å; C673-V677 WeakPolarHBondContact O-CG2 3.45Å; C673-V677 PolarHBondContact O-N 2.84Å
674R84.4Confident84.4Confident93 Ų9350.6 Ų50.635%0.35129%0.293SS..Hα-helixtrans-61.1-45.2173.8-74.4171.2174.8153.3-2.6111.9I660 M670 D671 A672 V677 Y678I660-R674 HydrophobicContact CD1-CG 3.88Å; I660-R674 HydrophobicContact CG2-CG 4.45Å; M670-R674 WeakPolarHBondContact O-CG 3.5Å; M670-R674 PolarHBondContact O-N 2.8Å; D671-R674 PolarHBondContact O-N 3.04Å; D671-R674 IonicContact OD1-CZ 3.35Å; D671-R674 IonicContact OD1-NH1 3.61Å; D671-R674 PolarHBondContact OD1-NH1 2.76Å; A672-R674 VanDerWaalsContact C-N 3.34Å; A672-R674 PolarHBondContact O-N 3.38Å; R674-V677 PolarHBondContact O-N 3.34Å; R674-Y678 WeakPolarHBondContact O-CB 3.17Å; R674-Y678 PolarHBondContact O-N 3.32Å
675K84.2Confident84.2Confident19 Ų1949.2 Ų49.28%0.08329%0.287CS..Hα-helixtrans-60.8-44.2175-76.1175.4164174.40111.7D671 A672 V677 Y678 Y679 W691 D700 N703 L705D671-K675 WeakPolarHBondContact O-CG 3.31Å; D671-K675 PolarHBondContact O-N 3.31Å; A672-K675 PolarHBondContact O-N 3.05Å; K675-V677 PolarHBondContact O-N 2.98Å; K675-Y678 WeakPolarHBondContact O-CB 3.49Å; K675-Y678 PolarHBondContact O-N 2.8Å; K675-Y679 HydrophobicContact CB-CD2 4.13Å; K675-Y679 HydrophobicContact CB-CE2 4.24Å; K675-Y679 HydrophobicContact CG-CE2 4.33Å; K675-Y679 WeakPolarHBondContact O-CB 3.09Å; K675-Y679 WeakPolarHBondContact O-CD2 3.42Å; K675-Y679 PolarHBondContact O-N 2.99Å; K675-W691 HydrophobicContact CB-CH2 3.65Å; K675-W691 HydrophobicContact CB-CZ3 3.76Å; K675-D700 PolarHBondContact NZ-O 2.96Å; K675-N703 WeakPolarHBondContact CE-O 3.42Å; K675-N703 PolarHBondContact NZ-O 2.87Å; K675-L705 HydrophobicContact CG-CB 3.98Å; K675-L705 HydrophobicContact CG-CD1 4.19Å
676A83.4Confident84Confident0 Ų049.3 Ų49.30%029%0.288CS..Hα-helixtrans-60-46.717900000112.9A672 C673 Y678 T680 A688 W691 V692A672-A676 WeakPolarHBondContact O-CB 3.4Å; A672-A676 PolarHBondContact O-N 3.24Å; C673-A676 PolarHBondContact O-N 3.19Å; A676-Y678 VanDerWaalsContact C-N 3.32Å; A676-Y678 PolarHBondContact O-N 3.27Å; A676-T680 VanDerWaalsContact O-CB 3.31Å; A676-T680 WeakPolarHBondContact O-CB 3.46Å; A676-T680 VanDerWaalsContact O-CG2 3.23Å; A676-T680 WeakPolarHBondContact O-CG2 3.39Å; A676-T680 PolarHBondContact O-N 2.71Å; A676-T680 VanDerWaalsContact O-N 3.08Å; A676-T680 PolarHBondContact O-OG1 2.82Å; A676-A688 HydrophobicContact CB-CB 4.07Å; A676-A688 WeakPolarHBondContact CB-O 3.35Å; A676-W691 HydrophobicContact CB-CB 4.19Å; A676-W691 HydrophobicContact CB-CD2 4.07Å; A676-W691 HydrophobicContact CB-CE3 3.47Å; A676-W691 VanDerWaalsContact CB-CE3 3.47Å; A676-W691 HydrophobicContact CB-CG 4.39Å; A676-W691 HydrophobicContact CB-CZ3 4.21Å; A676-V692 HydrophobicContact CB-CG2 3.32Å
677V86.3Confident83.9Confident2 Ų246.3 Ų46.31%0.01228%0.278CS..Hα-helixtrans-65.7-38.5177.7176.20000111L655 D656 V659 I660 C673 R674 K675 T680 G681 N682 A688L655-V677 HydrophobicContact CB-CG1 4.46Å; L655-V677 HydrophobicContact CD2-CB 4.23Å; L655-V677 HydrophobicContact CD2-CG1 3.99Å; D656-V677 HydrophobicContact CB-CG1 4.23Å; V659-V677 HydrophobicContact CB-CG2 4.02Å; V659-V677 HydrophobicContact CG1-CG2 3.6Å; I660-V677 HydrophobicContact CG1-CB 4.35Å; I660-V677 HydrophobicContact CG1-CG2 3.8Å; C673-V677 WeakPolarHBondContact O-CG2 3.45Å; C673-V677 PolarHBondContact O-N 2.84Å; R674-V677 PolarHBondContact O-N 3.34Å; K675-V677 PolarHBondContact O-N 2.98Å; V677-T680 PolarHBondContact O-OG1 2.83Å; V677-G681 PolarHBondContact O-N 3.21Å; V677-N682 PolarHBondContact O-N 3.34Å; V677-A688 HydrophobicContact CG2-CB 4.03Å
678Y84.9Confident84Confident35 Ų3543.2 Ų43.214%0.13725%0.246CC..Hα-helixtrans-64.5-54.8177.1-177-104.6000113P653 L655 R674 K675 A676 T680 G681 L705 L707P653-Y678 HydrophobicContact CG-CD2 4.15Å; P653-Y678 HydrophobicContact CG-CE2 3.74Å; L655-Y678 HydrophobicContact CD2-CD2 4.25Å; R674-Y678 WeakPolarHBondContact O-CB 3.17Å; R674-Y678 PolarHBondContact O-N 3.32Å; K675-Y678 WeakPolarHBondContact O-CB 3.49Å; K675-Y678 PolarHBondContact O-N 2.8Å; A676-Y678 VanDerWaalsContact C-N 3.32Å; A676-Y678 PolarHBondContact O-N 3.27Å; Y678-T680 VanDerWaalsContact C-N 3.29Å; Y678-T680 PolarHBondContact O-N 2.96Å; Y678-G681 PolarHBondContact O-N 2.88Å; Y678-L705 VanDerWaalsContact CB-CD2 3.48Å; Y678-L705 HydrophobicContact CD1-CD1 3.99Å; Y678-L705 HydrophobicContact CD1-CD2 3.79Å; Y678-L705 HydrophobicContact CD2-CD2 3.81Å; Y678-L705 HydrophobicContact CE1-CD1 4.28Å; Y678-L705 HydrophobicContact CE1-CD2 4.46Å; Y678-L705 HydrophobicContact CE2-CD2 4.48Å; Y678-L705 HydrophobicContact CG-CD1 4.47Å; Y678-L705 HydrophobicContact CG-CD2 3.41Å; Y678-L705 VanDerWaalsContact CG-CD2 3.41Å; Y678-L707 HydrophobicContact CD2-CD2 3.59Å; Y678-L707 HydrophobicContact CE2-CD2 3.37Å; Y678-L707 HydrophobicContact CG-CD2 4.5Å
679Y81.8Confident84Confident75 Ų7544.4 Ų44.429%0.29425%0.252SS..Hα-helixtrans-73.1-20.5-175-74.7-66.8000113.5P619 K675 G681 W691 L705P619-Y679 HydrophobicContact CB-CD1 4.38Å; P619-Y679 HydrophobicContact CB-CE1 4.42Å; P619-Y679 HydrophobicContact CG-CD1 3.96Å; P619-Y679 HydrophobicContact CG-CE1 3.67Å; K675-Y679 HydrophobicContact CB-CD2 4.13Å; K675-Y679 HydrophobicContact CB-CE2 4.24Å; K675-Y679 HydrophobicContact CG-CE2 4.33Å; K675-Y679 WeakPolarHBondContact O-CB 3.09Å; K675-Y679 WeakPolarHBondContact O-CD2 3.42Å; K675-Y679 PolarHBondContact O-N 2.99Å; Y679-G681 VanDerWaalsContact C-N 3.32Å; Y679-W691 AromaticContact CD2-CH2 3.92Å; Y679-W691 HydrophobicContact CD2-CH2 3.92Å; Y679-W691 AromaticContact CD2-CZ2 3.38Å; Y679-W691 HydrophobicContact CD2-CZ2 3.38Å; Y679-W691 HydrophobicContact CE2-CH2 4.42Å; Y679-W691 HydrophobicContact CE2-CZ2 4.09Å; Y679-W691 AromaticContact CG-CZ2 3.95Å; Y679-W691 HydrophobicContact CG-CZ2 3.95Å; Y679-L705 HydrophobicContact CE2-CD1 4.3Å
680T84.3Confident84Confident25 Ų2546.1 Ų46.115%0.15326%0.258CS..THydrogen-bonded Turntrans-89.11.817161.30000113A676 V677 Y678 N682 S683 A687 W691A676-T680 VanDerWaalsContact O-CB 3.31Å; A676-T680 WeakPolarHBondContact O-CB 3.46Å; A676-T680 VanDerWaalsContact O-CG2 3.23Å; A676-T680 WeakPolarHBondContact O-CG2 3.39Å; A676-T680 PolarHBondContact O-N 2.71Å; A676-T680 VanDerWaalsContact O-N 3.08Å; A676-T680 PolarHBondContact O-OG1 2.82Å; V677-T680 PolarHBondContact O-OG1 2.83Å; Y678-T680 VanDerWaalsContact C-N 3.29Å; Y678-T680 PolarHBondContact O-N 2.96Å; T680-N682 VanDerWaalsContact C-N 3.35Å; T680-N682 PolarHBondContact O-N 2.96Å; T680-S683 VanDerWaalsContact O-CB 3.27Å; T680-S683 WeakPolarHBondContact O-CB 3.36Å; T680-S683 PolarHBondContact O-N 3.45Å; T680-S683 PolarHBondContact O-OG 3.28Å; T680-A687 HydrophobicContact CG2-CB 4.34Å; T680-W691 HydrophobicContact CG2-CB 3.7Å; T680-W691 HydrophobicContact CG2-CG 4.02Å
681G82.6Confident84.1Confident52 Ų5244.5 Ų44.554%0.53625%0.248SC..THydrogen-bonded Turntrans61.339.2177.700000113.6V677 Y678 Y679 S683V677-G681 PolarHBondContact O-N 3.21Å; Y678-G681 PolarHBondContact O-N 2.88Å; Y679-G681 VanDerWaalsContact C-N 3.32Å; G681-S683 VanDerWaalsContact C-N 3.28Å; G681-S683 PolarHBondContact O-N 2.86Å
682N84.9Confident84.3Confident60 Ų6042.5 Ų42.532%0.32124%0.238SC..THydrogen-bonded Turntrans57.733.6-177.2-61.346.6000114.2M654 D656 V677 T680 G684M654-N682 PolarHBondContact O-ND2 3.17Å; D656-N682 PolarHBondContact N-ND2 3.01Å; D656-N682 VanDerWaalsContact N-ND2 3.17Å; V677-N682 PolarHBondContact O-N 3.34Å; T680-N682 VanDerWaalsContact C-N 3.35Å; T680-N682 PolarHBondContact O-N 2.96Å; N682-G684 PolarHBondContact O-N 2.98Å
683S83.9Confident84.4Confident86 Ų8646.4 Ų46.460%0.60126%0.257SS*.  trans-7521.2-178.8-61.80000115.2T680 G681T680-S683 VanDerWaalsContact O-CB 3.27Å; T680-S683 WeakPolarHBondContact O-CB 3.36Å; T680-S683 PolarHBondContact O-N 3.45Å; T680-S683 PolarHBondContact O-OG 3.28Å; G681-S683 VanDerWaalsContact C-N 3.28Å; G681-S683 PolarHBondContact O-N 2.86Å
684G84.9Confident84.1Confident29 Ų2950.9 Ų50.930%0.29929%0.288SS..  trans88.8174.917900000115.6N682 E686 A687 A688N682-G684 PolarHBondContact O-N 2.98Å; G684-E686 PolarHBondContact O-N 3.41Å; G684-A687 PolarHBondContact O-N 2.91Å; G684-A688 PolarHBondContact O-N 3.1Å
685A84.6Confident84Confident27 Ų2747.6 Ų47.622%0.22328%0.277CS..Hα-helixtrans-66.5-35.4-170.500000114.8V659 M689V659-A685 HydrophobicContact CG1-CB 4.07Å; V659-A685 HydrophobicContact CG2-CB 4.28Å; A685-M689 VanDerWaalsContact O-CB 3.22Å; A685-M689 WeakPolarHBondContact O-CB 3.43Å; A685-M689 PolarHBondContact O-N 3.46Å
686E84.9Confident83.7Confident164 Ų16450.5 Ų50.577%0.76629%0.292SS*.Hα-helixtrans-67.4-43179.1-67.7-176.3171.800112.1G684 M689 N690G684-E686 PolarHBondContact O-N 3.41Å; E686-M689 PolarHBondContact O-N 2.82Å; E686-N690 VanDerWaalsContact O-CG 3.28Å; E686-N690 PolarHBondContact O-N 2.98Å; E686-N690 PolarHBondContact O-ND2 3.1Å
687A83.1Confident83Confident32 Ų3257.1 Ų57.126%0.26433%0.327SS..Hα-helixtrans-63.9-45.7177.400000111T680 G684 N690 W691T680-A687 HydrophobicContact CG2-CB 4.34Å; G684-A687 PolarHBondContact O-N 2.91Å; A687-N690 PolarHBondContact O-N 2.89Å; A687-W691 PolarHBondContact O-N 2.68Å
688A85.2Confident82.6Confident1 Ų158.7 Ų58.71%0.00834%0.335CS..Hα-helixtrans-64.9-41.5176.600000111.7V659 L663 A676 V677 G684 N690 W691 V692V659-A688 HydrophobicContact CG1-CB 3.81Å; L663-A688 HydrophobicContact CD1-CB 3.71Å; A676-A688 HydrophobicContact CB-CB 4.07Å; A676-A688 WeakPolarHBondContact CB-O 3.35Å; V677-A688 HydrophobicContact CG2-CB 4.03Å; G684-A688 PolarHBondContact O-N 3.1Å; A688-N690 PolarHBondContact O-N 2.66Å; A688-W691 WeakPolarHBondContact O-CB 3.33Å; A688-W691 PolarHBondContact O-N 2.69Å; A688-V692 WeakPolarHBondContact O-CG2 3.21Å; A688-V692 PolarHBondContact O-N 3.1Å
689M84.6Confident81.8Confident59 Ų5960.6 Ų60.629%0.29135%0.352SS..Hα-helixtrans-60-45.6175.7-171.1-175169.600111.8L663 M666 F668 A685 E686 W691 V692 M693L663-M689 HydrophobicContact CD2-CB 3.75Å; L663-M689 HydrophobicContact CD2-CG 4.12Å; M666-M689 HydrophobicContact CE-CE 3.37Å; M666-M689 HydrophobicContact CE-CG 4.42Å; M666-M689 HydrophobicContact CE-SD 3.64Å; M666-M689 HydrophobicContact SD-SD 4.44Å; F668-M689 HydrophobicContact CE2-CG 4.48Å; A685-M689 VanDerWaalsContact O-CB 3.22Å; A685-M689 WeakPolarHBondContact O-CB 3.43Å; A685-M689 PolarHBondContact O-N 3.46Å; E686-M689 PolarHBondContact O-N 2.82Å; M689-W691 VanDerWaalsContact C-N 3.3Å; M689-W691 PolarHBondContact O-N 3.5Å; M689-V692 PolarHBondContact O-N 2.75Å; M689-M693 HydrophobicContact CE-CE 4.03Å; M689-M693 HydrophobicContact CE-SD 3.86Å; M689-M693 HydrophobicContact CG-CE 3.94Å; M689-M693 HydrophobicContact CG-SD 4.43Å; M689-M693 WeakPolarHBondContact O-CG 3.39Å; M689-M693 PolarHBondContact O-N 3.33Å; M689-M693 HydrophobicContact SD-CE 4.45Å
690N85.3Confident81.2Confident94 Ų9461.2 Ų61.250%0.50336%0.36SS..Hα-helixtrans-60.3-42175.8-72-24.8000111.5E686 A687 A688 M693 S694E686-N690 VanDerWaalsContact O-CG 3.28Å; E686-N690 PolarHBondContact O-N 2.98Å; E686-N690 PolarHBondContact O-ND2 3.1Å; A687-N690 PolarHBondContact O-N 2.89Å; A688-N690 PolarHBondContact O-N 2.66Å; N690-M693 PolarHBondContact O-N 3.31Å; N690-M693 WeakPolarHBondContact OD1-CE 3.23Å; N690-S694 PolarHBondContact O-N 3.32Å; N690-S694 PolarHBondContact O-OG 3.3Å
691W86.1Confident80.2Confident39 Ų3961.1 Ų61.115%0.14836%0.358CS..Hα-helixtrans-62.1-47.5176.6-16897.7000111.9K675 A676 Y679 T680 A687 A688 M689 M693 S694 H695K675-W691 HydrophobicContact CB-CH2 3.65Å; K675-W691 HydrophobicContact CB-CZ3 3.76Å; A676-W691 HydrophobicContact CB-CB 4.19Å; A676-W691 HydrophobicContact CB-CD2 4.07Å; A676-W691 HydrophobicContact CB-CE3 3.47Å; A676-W691 VanDerWaalsContact CB-CE3 3.47Å; A676-W691 HydrophobicContact CB-CG 4.39Å; A676-W691 HydrophobicContact CB-CZ3 4.21Å; Y679-W691 AromaticContact CD2-CH2 3.92Å; Y679-W691 HydrophobicContact CD2-CH2 3.92Å; Y679-W691 AromaticContact CD2-CZ2 3.38Å; Y679-W691 HydrophobicContact CD2-CZ2 3.38Å; Y679-W691 HydrophobicContact CE2-CH2 4.42Å; Y679-W691 HydrophobicContact CE2-CZ2 4.09Å; Y679-W691 AromaticContact CG-CZ2 3.95Å; Y679-W691 HydrophobicContact CG-CZ2 3.95Å; T680-W691 HydrophobicContact CG2-CB 3.7Å; T680-W691 HydrophobicContact CG2-CG 4.02Å; A687-W691 PolarHBondContact O-N 2.68Å; A688-W691 WeakPolarHBondContact O-CB 3.33Å; A688-W691 PolarHBondContact O-N 2.69Å; M689-W691 VanDerWaalsContact C-N 3.3Å; M689-W691 PolarHBondContact O-N 3.5Å; W691-M693 VanDerWaalsContact C-N 3.32Å; W691-M693 PolarHBondContact O-N 2.83Å; W691-S694 PolarHBondContact O-N 3.23Å; W691-S694 VanDerWaalsContact O-N 3.17Å; W691-H695 AromaticContact CD1-CE1 3.61Å; W691-H695 AromaticContact CD1-ND1 3.84Å; W691-H695 HydrophobicContact CD2-CB 4.45Å; W691-H695 AromaticContact CD2-ND1 3.56Å; W691-H695 AromaticContact CE2-CE1 3.67Å; W691-H695 AromaticContact CE2-CG 3.79Å; W691-H695 AromaticContact CE2-ND1 3.54Å; W691-H695 AromaticContact CE2-NE2 3.95Å; W691-H695 HydrophobicContact CE3-CB 4.15Å; W691-H695 AromaticContact CG-ND1 3.77Å; W691-H695 HydrophobicContact CH2-CB 3.96Å; W691-H695 HydrophobicContact CZ2-CB 4.25Å; W691-H695 AromaticContact CZ2-CD2 3.87Å; W691-H695 AromaticContact CZ2-CG 3.81Å; W691-H695 HydrophobicContact CZ3-CB 3.92Å; W691-H695 AromaticContact NE1-CE1 3.36Å; W691-H695 PolarHBondContact NE1-CE1 2.84Å; W691-H695 AromaticContact NE1-ND1 3.69Å; W691-H695 AromaticContact NE1-NE2 3.75Å; W691-H695 PolarHBondContact O-N 3.1Å; W691-H695 PolarHBondContact O-ND1 3.43Å
692V85.1Confident79.2Confident0 Ų061.2 Ų61.20%035%0.354CS..Hα-helixtrans-59.5-43.4177.9179.50000111L663 F668 A676 A688 M689 S694 H695 M696 F701L663-V692 HydrophobicContact CD1-CG2 4.2Å; F668-V692 HydrophobicContact CB-CG1 3.92Å; F668-V692 HydrophobicContact CD1-CG1 3.39Å; F668-V692 HydrophobicContact CD2-CG1 4.07Å; F668-V692 HydrophobicContact CE1-CG1 3.82Å; F668-V692 HydrophobicContact CE2-CG1 4.44Å; F668-V692 HydrophobicContact CG-CG1 3.53Å; F668-V692 HydrophobicContact CZ-CG1 4.33Å; A676-V692 HydrophobicContact CB-CG2 3.32Å; A688-V692 WeakPolarHBondContact O-CG2 3.21Å; A688-V692 PolarHBondContact O-N 3.1Å; M689-V692 PolarHBondContact O-N 2.75Å; V692-S694 VanDerWaalsContact C-N 3.31Å; V692-S694 PolarHBondContact O-N 3.3Å; V692-H695 PolarHBondContact O-N 2.96Å; V692-M696 WeakPolarHBondContact O-CB 3.43Å; V692-M696 PolarHBondContact O-N 2.59Å; V692-M696 VanDerWaalsContact O-N 3.08Å; V692-F701 HydrophobicContact CG1-CE2 3.82Å; V692-F701 HydrophobicContact CG1-CZ 3.52Å
693M82.7Confident78.4Confident83 Ų8362 Ų6241%0.40936%0.358SS..Hα-helixtrans-65.5-33.1178.3-70.4-173.8-6300112.9F668 M689 N690 W691F668-M693 HydrophobicContact CZ-CG 4.22Å; M689-M693 HydrophobicContact CE-CE 4.03Å; M689-M693 HydrophobicContact CE-SD 3.86Å; M689-M693 HydrophobicContact CG-CE 3.94Å; M689-M693 HydrophobicContact CG-SD 4.43Å; M689-M693 WeakPolarHBondContact O-CG 3.39Å; M689-M693 PolarHBondContact O-N 3.33Å; M689-M693 HydrophobicContact SD-CE 4.45Å; N690-M693 PolarHBondContact O-N 3.31Å; N690-M693 WeakPolarHBondContact OD1-CE 3.23Å; W691-M693 VanDerWaalsContact C-N 3.32Å; W691-M693 PolarHBondContact O-N 2.83Å
694S79.9Confident77.4Confident93 Ų9360.9 Ų60.965%0.6535%0.349SS*.Hα-helixtrans-80.3-23.2178.7-64.80000114.4N690 W691 V692N690-S694 PolarHBondContact O-N 3.32Å; N690-S694 PolarHBondContact O-OG 3.3Å; W691-S694 PolarHBondContact O-N 3.23Å; W691-S694 VanDerWaalsContact O-N 3.17Å; V692-S694 VanDerWaalsContact C-N 3.31Å; V692-S694 PolarHBondContact O-N 3.3Å
695H81.1Confident76.6Confident24 Ų2461 Ų6111%0.11134%0.342CS..Hα-helixtrans-114.69.1-174.3-60.177.8000112.8W691 V692 D697 D698 F701W691-H695 AromaticContact CD1-CE1 3.61Å; W691-H695 AromaticContact CD1-ND1 3.84Å; W691-H695 HydrophobicContact CD2-CB 4.45Å; W691-H695 AromaticContact CD2-ND1 3.56Å; W691-H695 AromaticContact CE2-CE1 3.67Å; W691-H695 AromaticContact CE2-CG 3.79Å; W691-H695 AromaticContact CE2-ND1 3.54Å; W691-H695 AromaticContact CE2-NE2 3.95Å; W691-H695 HydrophobicContact CE3-CB 4.15Å; W691-H695 AromaticContact CG-ND1 3.77Å; W691-H695 HydrophobicContact CH2-CB 3.96Å; W691-H695 HydrophobicContact CZ2-CB 4.25Å; W691-H695 AromaticContact CZ2-CD2 3.87Å; W691-H695 AromaticContact CZ2-CG 3.81Å; W691-H695 HydrophobicContact CZ3-CB 3.92Å; W691-H695 AromaticContact NE1-CE1 3.36Å; W691-H695 PolarHBondContact NE1-CE1 2.84Å; W691-H695 AromaticContact NE1-ND1 3.69Å; W691-H695 AromaticContact NE1-NE2 3.75Å; W691-H695 PolarHBondContact O-N 3.1Å; W691-H695 PolarHBondContact O-ND1 3.43Å; V692-H695 PolarHBondContact O-N 2.96Å; H695-D697 PolarHBondContact O-N 3.48Å; H695-D698 WeakPolarHBondContact CA-OD1 3.34Å; H695-D698 IonicContact CD2-OD2 2.69Å; H695-D698 PolarHBondContact CD2-OD2 3.21Å; H695-D698 VanDerWaalsContact CD2-OD2 3.29Å; H695-D698 IonicContact CG-OD2 2.86Å; H695-D698 VanDerWaalsContact O-CB 3.24Å; H695-D698 WeakPolarHBondContact O-CB 3.47Å; H695-D698 PolarHBondContact O-N 3.36Å; H695-F701 VanDerWaalsContact C-CD2 3.46Å; H695-F701 HydrophobicContact CB-CD2 4.37Å; H695-F701 WeakPolarHBondContact O-CB 3.41Å; H695-F701 WeakPolarHBondContact O-CD2 3.46Å; H695-F701 WeakPolarHBondContact O-CG 3.13Å
696M77.6Confident75.5Confident81 Ų8165.2 Ų65.240%0.39936%0.36SS..THydrogen-bonded Turntrans-63.6-22.5-17661.9170.537.100115.4F668 V692 F701F668-M696 HydrophobicContact CD1-CE 4.35Å; F668-M696 HydrophobicContact CE1-CE 3.7Å; V692-M696 WeakPolarHBondContact O-CB 3.43Å; V692-M696 PolarHBondContact O-N 2.59Å; V692-M696 VanDerWaalsContact O-N 3.08Å; M696-F701 VanDerWaalsContact CA-CZ 3.43Å; M696-F701 HydrophobicContact CB-CD1 4.41Å; M696-F701 HydrophobicContact CB-CE1 3.85Å; M696-F701 HydrophobicContact CB-CE2 3.98Å; M696-F701 HydrophobicContact CB-CZ 3.57Å; M696-F701 WeakPolarHBondContact O-CD1 3.3Å
697D70.3Confident73.9Confident139 Ų13958.9 Ų58.974%0.74333%0.331SS*.THydrogen-bonded Turntrans-963.9177.4-62.9-41.8000112.5H695H695-D697 PolarHBondContact O-N 3.48Å
698D77.2Confident71.7Confident35 Ų3562.1 Ų62.119%0.18735%0.349CS..  trans-67.1140.9178.1-72.222.2000110.8W546 H695 D700 F701W546-D698 HydrophobicContact CH2-CB 4.07Å; W546-D698 WeakPolarHBondContact CH2-OD1 3.48Å; W546-D698 HydrophobicContact CZ2-CB 4.34Å; H695-D698 WeakPolarHBondContact CA-OD1 3.34Å; H695-D698 IonicContact CD2-OD2 2.69Å; H695-D698 PolarHBondContact CD2-OD2 3.21Å; H695-D698 VanDerWaalsContact CD2-OD2 3.29Å; H695-D698 IonicContact CG-OD2 2.86Å; H695-D698 VanDerWaalsContact O-CB 3.24Å; H695-D698 WeakPolarHBondContact O-CB 3.47Å; H695-D698 PolarHBondContact O-N 3.36Å; D698-D700 PolarHBondContact O-N 2.98Å; D698-D700 VanDerWaalsContact O-N 3.14Å; D698-F701 HydrophobicContact CB-CB 4.13Å; D698-F701 WeakPolarHBondContact O-CB 3.34Å; D698-F701 PolarHBondContact O-N 3.35Å
699P68Low69.7Low74 Ų7466.1 Ų66.148%0.48139%0.391SS..THydrogen-bonded Turntrans-56.7-35.8-179.3-22.730.6000113W546W546-P699 HydrophobicContact CD2-CG 3.9Å; W546-P699 VanDerWaalsContact CE3-CD 3.46Å; W546-P699 HydrophobicContact CE3-CG 3.71Å; W546-P699 HydrophobicContact CG-CG 4.26Å; W546-P699 VanDerWaalsContact CZ3-CD 3.48Å; W546-P699 HydrophobicContact CZ3-CG 4.22Å
700D69.1Low67.4Low89 Ų8965.6 Ų65.648%0.47639%0.393SS..THydrogen-bonded Turntrans-95.66.9-179.1-68.6-42.1000113.1K675 D698 A702 N703K675-D700 PolarHBondContact NZ-O 2.96Å; D698-D700 PolarHBondContact O-N 2.98Å; D698-D700 VanDerWaalsContact O-N 3.14Å; D700-A702 PolarHBondContact O-N 3.25Å; D700-A702 VanDerWaalsContact O-N 3.08Å; D700-N703 HydrophobicContact CB-CB 4.35Å; D700-N703 WeakPolarHBondContact O-CB 3.28Å; D700-N703 PolarHBondContact O-N 3.5Å; D700-N703 PolarHBondContact OD1-ND2 3.21Å
701F63.8Low64.8Low22 Ų2265.6 Ų65.610%0.09640%0.4CS..THydrogen-bonded Turntrans-51.3-41.3-171.1177.1-115.6000113.6P669 A672 V692 H695 M696 D698P669-F701 HydrophobicContact CG-CE1 3.98Å; A672-F701 VanDerWaalsContact CA-O 3.26Å; A672-F701 WeakPolarHBondContact CA-O 3.43Å; A672-F701 HydrophobicContact CB-CD1 3.94Å; A672-F701 HydrophobicContact CB-CD2 3.66Å; A672-F701 HydrophobicContact CB-CE1 3.61Å; A672-F701 HydrophobicContact CB-CE2 3.34Å; A672-F701 HydrophobicContact CB-CG 3.98Å; A672-F701 HydrophobicContact CB-CZ 3.32Å; A672-F701 VanDerWaalsContact CB-O 3.3Å; A672-F701 WeakPolarHBondContact CB-O 3.35Å; A672-F701 PolarHBondContact N-O 3.2Å; V692-F701 HydrophobicContact CG1-CE2 3.82Å; V692-F701 HydrophobicContact CG1-CZ 3.52Å; H695-F701 VanDerWaalsContact C-CD2 3.46Å; H695-F701 HydrophobicContact CB-CD2 4.37Å; H695-F701 WeakPolarHBondContact O-CB 3.41Å; H695-F701 WeakPolarHBondContact O-CD2 3.46Å; H695-F701 WeakPolarHBondContact O-CG 3.13Å; M696-F701 VanDerWaalsContact CA-CZ 3.43Å; M696-F701 HydrophobicContact CB-CD1 4.41Å; M696-F701 HydrophobicContact CB-CE1 3.85Å; M696-F701 HydrophobicContact CB-CE2 3.98Å; M696-F701 HydrophobicContact CB-CZ 3.57Å; M696-F701 WeakPolarHBondContact O-CD1 3.3Å; D698-F701 HydrophobicContact CB-CB 4.13Å; D698-F701 WeakPolarHBondContact O-CB 3.34Å; D698-F701 PolarHBondContact O-N 3.35Å
702A60.3Low62.1Low55 Ų5565.1 Ų65.146%0.45541%0.408SS..THydrogen-bonded Turntrans-94.9-0.718000000114.5D671 D700D671-A702 WeakPolarHBondContact CB-O 3.43Å; D700-A702 PolarHBondContact O-N 3.25Å; D700-A702 VanDerWaalsContact O-N 3.08Å
703N68.4Low59.8Low77 Ų7770.6 Ų70.641%0.41244%0.443SS..SBendtrans-75.7142.2-179.8-71-20.5000110.7K675 D700 L705K675-N703 WeakPolarHBondContact CE-O 3.42Å; K675-N703 PolarHBondContact NZ-O 2.87Å; D700-N703 HydrophobicContact CB-CB 4.35Å; D700-N703 WeakPolarHBondContact O-CB 3.28Å; D700-N703 PolarHBondContact O-N 3.5Å; D700-N703 PolarHBondContact OD1-ND2 3.21Å; N703-L705 PolarHBondContact O-N 2.9Å
704P62.9Low57.3Low62 Ų6270.1 Ų70.140%0.40346%0.46SS..PPolyproline II helixtrans-62135.7-17923.9-32.6000111.5I706 P713P704-I706 PolarHBondContact O-N 3.01Å; P704-P713 HydrophobicContact CB-CG 4.25Å
705L68.9Low54.9Low31 Ų3168.9 Ų68.916%0.16245%0.451CS..PPolyproline II helixtrans-72.3121173.6-179.573.6000109.7K675 Y678 Y679 N703 L707K675-L705 HydrophobicContact CG-CB 3.98Å; K675-L705 HydrophobicContact CG-CD1 4.19Å; Y678-L705 VanDerWaalsContact CB-CD2 3.48Å; Y678-L705 HydrophobicContact CD1-CD1 3.99Å; Y678-L705 HydrophobicContact CD1-CD2 3.79Å; Y678-L705 HydrophobicContact CD2-CD2 3.81Å; Y678-L705 HydrophobicContact CE1-CD1 4.28Å; Y678-L705 HydrophobicContact CE1-CD2 4.46Å; Y678-L705 HydrophobicContact CE2-CD2 4.48Å; Y678-L705 HydrophobicContact CG-CD1 4.47Å; Y678-L705 HydrophobicContact CG-CD2 3.41Å; Y678-L705 VanDerWaalsContact CG-CD2 3.41Å; Y679-L705 HydrophobicContact CE2-CD1 4.3Å; N703-L705 PolarHBondContact O-N 2.9Å; L705-L707 HydrophobicContact CD2-CD2 3.73Å; L705-L707 HydrophobicContact CD2-CG 4.48Å; L705-L707 HydrophobicContact CG-CD2 4.28Å
706I61.8Low52.5Low115 Ų11573.7 Ų73.759%0.5948%0.482SS*.  trans-93.5111172.3-54.2173.2000107.3P704 S710P704-I706 PolarHBondContact O-N 3.01Å; I706-S710 WeakPolarHBondContact CG2-O 3.4Å
707L50.5Low50.4Low31 Ų3175.8 Ų75.816%0.16251%0.505CS..  trans-75.1145.7177.7-62.4168.2000109.9Y678 L705 G709 S710Y678-L707 HydrophobicContact CD2-CD2 3.59Å; Y678-L707 HydrophobicContact CE2-CD2 3.37Å; Y678-L707 HydrophobicContact CG-CD2 4.5Å; L705-L707 HydrophobicContact CD2-CD2 3.73Å; L705-L707 HydrophobicContact CD2-CG 4.48Å; L705-L707 HydrophobicContact CG-CD2 4.28Å; L707-G709 PolarHBondContact O-N 3.19Å; L707-S710 WeakPolarHBondContact CB-OG 3.36Å; L707-S710 PolarHBondContact N-OG 2.95Å; L707-S710 PolarHBondContact O-N 3.23Å; L707-S710 PolarHBondContact O-OG 2.86Å
708P37.9Very low48.8Very low100 Ų10072.7 Ų72.765%0.64950%0.499SS*.THydrogen-bonded Turntrans-57115.3171.9-19.330.4000109.6
709G41.2Very low47.1Very low86 Ų8675.6 Ų75.689%0.88753%0.528SS*.THydrogen-bonded Turntrans95-3.9-177.100000116.2L707L707-G709 PolarHBondContact O-N 3.19Å
710S36.2Very low46.5Very low47 Ų4775.8 Ų75.833%0.32954%0.535SS..  trans-99112.717069.20000110.6I706 L707 G712I706-S710 WeakPolarHBondContact CG2-O 3.4Å; L707-S710 WeakPolarHBondContact CB-OG 3.36Å; L707-S710 PolarHBondContact N-OG 2.95Å; L707-S710 PolarHBondContact O-N 3.23Å; L707-S710 PolarHBondContact O-OG 2.86Å; S710-G712 PolarHBondContact O-N 2.82Å
711S31.9Very low46.6Very low94 Ų9477.8 Ų77.866%0.65755%0.546SS*.  trans-55.8126.9162.848.40000109.4S715S711-S715 WeakPolarHBondContact CB-OG 3.49Å; S711-S715 PolarHBondContact OG-OG 3.47Å
712G29.9Very low47.4Very low30 Ų3081.9 Ų81.931%0.30958%0.575SS.*  trans-56.6162.5-170.100000115.1S710 G714 S715S710-G712 PolarHBondContact O-N 2.82Å; G712-G714 PolarHBondContact O-N 2.93Å; G712-S715 PolarHBondContact O-N 3.34Å
713P35.1Very low48.6Very low114 Ų11480.8 Ų80.874%0.7456%0.563SS**THydrogen-bonded Turntrans-72.593.2-177.125.7-22.3000109.2P704P704-P713 HydrophobicContact CB-CG 4.25Å
714G31.4Very low49.6Very low73 Ų7380 Ų8075%0.75356%0.562SS**THydrogen-bonded Turntrans165.8-21.9-174.100000112.4G712 T716G712-G714 PolarHBondContact O-N 2.93Å; G714-T716 PolarHBondContact O-N 3.01Å
715S29.7Very low50.9Low67 Ų6781.6 Ų81.647%0.46956%0.564SS.*  trans-8688.4169.373.20000110.2S711 G712 S717S711-S715 WeakPolarHBondContact CB-OG 3.49Å; S711-S715 PolarHBondContact OG-OG 3.47Å; G712-S715 PolarHBondContact O-N 3.34Å; S715-S717 PolarHBondContact O-N 2.97Å
716T29.6Very low51.9Low125 Ų12585.1 Ų85.177%0.76758%0.583SS**  trans-54.5122147.546.60000106.8G714 A718G714-T716 PolarHBondContact O-N 3.01Å; T716-A718 PolarHBondContact O-N 3.37Å
717S35.1Very low53.3Low125 Ų12580.4 Ų80.487%0.87456%0.56SS**  trans-66.262.4170.646.30000111S715S715-S717 PolarHBondContact O-N 2.97Å
718A36.4Very low55.2Low75 Ų7579 Ų7962%0.6255%0.553SS**  trans-76.8121.2148.600000105.1T716 A720T716-A718 PolarHBondContact O-N 3.37Å; A718-A720 PolarHBondContact O-N 2.94Å
719A41.2Very low57.7Low96 Ų9677.5 Ų77.579%0.79354%0.542SS*.  trans-51.5110.2166.500000106.8D721A719-D721 PolarHBondContact O-N 3.5Å
720A54.6Low60.1Low77 Ų7776.1 Ų76.164%0.63652%0.517SS*.PPolyproline II helixtrans-56.8125.9177.200000107A718A718-A720 PolarHBondContact O-N 2.94Å
721D71.1Confident62.6Low131 Ų13173.9 Ų73.970%0.70150%0.501SS*.PPolyproline II helixtrans-51.2135.8177.8-76.2-43.3000108.8A719 N750A719-D721 PolarHBondContact O-N 3.5Å; D721-N750 PolarHBondContact O-ND2 3.25Å; D721-N750 VanDerWaalsContact O-ND2 3.08Å
722P80.5Confident65.4Low109 Ų10972.1 Ų72.171%0.70849%0.486SS*.PPolyproline II helixtrans-55.6141.1-179.621.5-30.7000109.6
723P86.1Confident68.2Low31 Ų3175.6 Ų75.620%0.20151%0.506CS..PPolyproline II helixtrans-58.2145-177.920-30.1000111E725 V728 L742 L745 N750P723-E725 PolarHBondContact O-N 2.77Å; P723-V728 HydrophobicContact CB-CG2 4.38Å; P723-V728 HydrophobicContact CG-CG2 4.28Å; P723-L742 HydrophobicContact CG-CD2 3.49Å; P723-L742 VanDerWaalsContact CG-CD2 3.49Å; P723-L745 HydrophobicContact CB-CB 3.92Å; P723-L745 HydrophobicContact CB-CD1 3.8Å; P723-L745 HydrophobicContact CB-CG 4.35Å; P723-L745 HydrophobicContact CG-CB 4.41Å; P723-L745 HydrophobicContact CG-CD1 4.41Å; P723-N750 WeakPolarHBondContact CB-OD1 3.35Å
724P89.5Confident70.6Confident60 Ų6073.3 Ų73.339%0.3949%0.486SS..PPolyproline II helixtrans-54.2130.5173.4-24.233.9000111.6D726 C727 V728P724-D726 VanDerWaalsContact C-N 3.28Å; P724-D726 WeakPolarHBondContact CB-OD1 3.43Å; P724-D726 PolarHBondContact O-N 2.9Å; P724-C727 HydrophobicContact CB-CB 4.42Å; P724-C727 WeakPolarHBondContact O-CB 3.41Å; P724-C727 PolarHBondContact O-N 2.89Å; P724-C727 VanDerWaalsContact O-N 3.14Å; P724-V728 PolarHBondContact O-N 3.35Å
725E91.1Very high73.1Confident96 Ų9671.7 Ų71.745%0.44947%0.469SS..Hα-helixtrans-66.4-30.5-173.6-174.263.1-14900112.2P723 V728 T729 R738P723-E725 PolarHBondContact O-N 2.77Å; E725-V728 WeakPolarHBondContact O-CB 3.47Å; E725-V728 PolarHBondContact O-N 3.42Å; E725-T729 WeakPolarHBondContact O-CG2 3.49Å; E725-T729 PolarHBondContact O-N 2.84Å; E725-T729 PolarHBondContact O-OG1 3.38Å; E725-R738 IonicContact OE1-CZ 3.52Å; E725-R738 IonicContact OE1-NH1 3.63Å; E725-R738 PolarHBondContact OE1-NH1 2.68Å; E725-R738 IonicContact OE1-NH2 3.54Å; E725-R738 PolarHBondContact OE1-NH2 3.26Å; E725-R738 VanDerWaalsContact OE1-NH2 3.13Å; E725-R738 IonicContact OE2-CZ 3.96Å; E725-R738 IonicContact OE2-NH1 2.95Å; E725-R738 IonicContact OE2-NH2 2.78Å; E725-R738 PolarHBondContact OE2-NH2 2.94Å
726D89.4Confident75.9Confident106 Ų10669 Ų6957%0.56745%0.449SS*.Hα-helixtrans-61.6-40.9172.459-33.7000112.2P724 T729 T730P724-D726 VanDerWaalsContact C-N 3.28Å; P724-D726 WeakPolarHBondContact CB-OD1 3.43Å; P724-D726 PolarHBondContact O-N 2.9Å; D726-T729 WeakPolarHBondContact CA-OG1 3.5Å; D726-T729 PolarHBondContact O-N 3.24Å; D726-T729 PolarHBondContact O-OG1 3.33Å; D726-T730 PolarHBondContact O-N 3.47Å; D726-T730 PolarHBondContact O-OG1 2.91Å
727C90.1Very high78.7Confident16 Ų1665.7 Ų65.711%0.10843%0.431CS..Hα-helixtrans-62.6-42.7172.4-64.50000111.9P724 T729 T730 I731 L745 L752P724-C727 HydrophobicContact CB-CB 4.42Å; P724-C727 WeakPolarHBondContact O-CB 3.41Å; P724-C727 PolarHBondContact O-N 2.89Å; P724-C727 VanDerWaalsContact O-N 3.14Å; C727-T729 PolarHBondContact O-N 3.3Å; C727-T730 PolarHBondContact O-N 3.48Å; C727-I731 PolarHBondContact O-N 2.91Å; C727-I731 VanDerWaalsContact O-N 3.15Å; C727-L745 HydrophobicContact CB-CD1 4.16Å; C727-L745 HydrophobicContact CB-CD2 4.12Å; C727-L752 HydrophobicContact CB-CD1 4.19Å
728V91.2Very high81.3Confident0 Ų065.7 Ų65.70%041%0.412CS..Hα-helixtrans-60.4-47.4176.5179.60000110.4P723 P724 E725 T730 I731 V732 R738 A741 L742 L745P723-V728 HydrophobicContact CB-CG2 4.38Å; P723-V728 HydrophobicContact CG-CG2 4.28Å; P724-V728 PolarHBondContact O-N 3.35Å; E725-V728 WeakPolarHBondContact O-CB 3.47Å; E725-V728 PolarHBondContact O-N 3.42Å; V728-T730 VanDerWaalsContact C-N 3.26Å; V728-T730 PolarHBondContact O-N 3.37Å; V728-I731 PolarHBondContact O-N 2.8Å; V728-V732 HydrophobicContact CG1-CG2 4.32Å; V728-V732 WeakPolarHBondContact O-CB 3.37Å; V728-V732 VanDerWaalsContact O-CG2 3.29Å; V728-V732 WeakPolarHBondContact O-CG2 3.4Å; V728-V732 PolarHBondContact O-N 2.99Å; V728-R738 HydrophobicContact CG1-CG 4.13Å; V728-A741 HydrophobicContact CG1-CB 4.31Å; V728-L742 HydrophobicContact CG2-CD2 3.92Å; V728-L745 HydrophobicContact CG2-CD1 3.75Å
729T91.1Very high83.8Confident69 Ų6966.4 Ų66.442%0.42341%0.405SS..Hα-helixtrans-62.7-33.9178.759.50000112.7E725 D726 C727 S733E725-T729 WeakPolarHBondContact O-CG2 3.49Å; E725-T729 PolarHBondContact O-N 2.84Å; E725-T729 PolarHBondContact O-OG1 3.38Å; D726-T729 WeakPolarHBondContact CA-OG1 3.5Å; D726-T729 PolarHBondContact O-N 3.24Å; D726-T729 PolarHBondContact O-OG1 3.33Å; C727-T729 PolarHBondContact O-N 3.3Å; T729-S733 WeakPolarHBondContact O-CB 3.26Å; T729-S733 PolarHBondContact O-N 3.19Å; T729-S733 PolarHBondContact O-OG 2.99Å
730T90.2Very high86Confident58 Ų5863.3 Ų63.336%0.35637%0.374SS..Hα-helixtrans-65.7-48.4179-60.10000110.9D726 C727 V728 S733 M734 L752D726-T730 PolarHBondContact O-N 3.47Å; D726-T730 PolarHBondContact O-OG1 2.91Å; C727-T730 PolarHBondContact O-N 3.48Å; V728-T730 VanDerWaalsContact C-N 3.26Å; V728-T730 PolarHBondContact O-N 3.37Å; T730-S733 PolarHBondContact O-N 2.98Å; T730-M734 HydrophobicContact CG2-CE 4.15Å; T730-M734 WeakPolarHBondContact O-CG 3.09Å; T730-M734 PolarHBondContact O-N 3.28Å; T730-L752 HydrophobicContact CG2-CD1 4.5Å
731I89.6Confident87.7Confident0 Ų059.7 Ų59.70%034%0.344CS..Hα-helixtrans-66.4-42178.2-60.9171.7000110.8C727 V728 S733 M734 F736 A741 L745 L752 A755 V756 I759C727-I731 PolarHBondContact O-N 2.91Å; C727-I731 VanDerWaalsContact O-N 3.15Å; V728-I731 PolarHBondContact O-N 2.8Å; I731-S733 VanDerWaalsContact C-N 3.29Å; I731-S733 PolarHBondContact O-N 3.34Å; I731-M734 WeakPolarHBondContact O-CB 3.2Å; I731-M734 PolarHBondContact O-N 3.03Å; I731-F736 HydrophobicContact CG2-CB 4.05Å; I731-F736 HydrophobicContact CG2-CD2 3.94Å; I731-F736 HydrophobicContact CG2-CG 4.22Å; I731-F736 WeakPolarHBondContact O-CD2 3.41Å; I731-A741 HydrophobicContact CB-CB 3.87Å; I731-A741 HydrophobicContact CD1-CB 4.45Å; I731-A741 HydrophobicContact CG2-CB 3.69Å; I731-L745 HydrophobicContact CD1-CD1 3.99Å; I731-L745 HydrophobicContact CD1-CD2 4.23Å; I731-L745 HydrophobicContact CD1-CG 3.89Å; I731-L752 HydrophobicContact CD1-CD1 4.15Å; I731-L752 HydrophobicContact CG1-CD1 3.96Å; I731-A755 HydrophobicContact CD1-CB 3.91Å; I731-V756 HydrophobicContact CG1-CG2 4.44Å; I731-I759 HydrophobicContact CG2-CD1 3.75Å
732V91Very high88.6Confident56 Ų5656.1 Ų56.134%0.33933%0.325SS..Hα-helixtrans-60.8-39.2175.21720000111.5V728 M734 G735 F736 R738 A741V728-V732 HydrophobicContact CG1-CG2 4.32Å; V728-V732 WeakPolarHBondContact O-CB 3.37Å; V728-V732 VanDerWaalsContact O-CG2 3.29Å; V728-V732 WeakPolarHBondContact O-CG2 3.4Å; V728-V732 PolarHBondContact O-N 2.99Å; V732-M734 PolarHBondContact O-N 3.46Å; V732-G735 PolarHBondContact O-N 3.18Å; V732-F736 WeakPolarHBondContact CA-O 3.31Å; V732-R738 HydrophobicContact CG2-CB 4.42Å; V732-A741 HydrophobicContact CG2-CB 4.18Å
733S87.6Confident89.1Confident104 Ų10455 Ų5573%0.72731%0.309SS*.Hα-helixtrans-66.5-22.7176.6-56.60000113.3T729 T730 I731 G735T729-S733 WeakPolarHBondContact O-CB 3.26Å; T729-S733 PolarHBondContact O-N 3.19Å; T729-S733 PolarHBondContact O-OG 2.99Å; T730-S733 PolarHBondContact O-N 2.98Å; I731-S733 VanDerWaalsContact C-N 3.29Å; I731-S733 PolarHBondContact O-N 3.34Å; S733-G735 PolarHBondContact O-N 3.34Å
734M85.1Confident89.2Confident66 Ų6653.5 Ų53.533%0.32530%0.299SS..THydrogen-bonded Turntrans-73.3-8.1171.3-64.6175.2175.400112.7T730 I731 V732 F736 V756T730-M734 HydrophobicContact CG2-CE 4.15Å; T730-M734 WeakPolarHBondContact O-CG 3.09Å; T730-M734 PolarHBondContact O-N 3.28Å; I731-M734 WeakPolarHBondContact O-CB 3.2Å; I731-M734 PolarHBondContact O-N 3.03Å; V732-M734 PolarHBondContact O-N 3.46Å; M734-F736 HydrophobicContact CB-CD2 4.07Å; M734-F736 HydrophobicContact CB-CE2 4.15Å; M734-V756 HydrophobicContact CE-CG2 4.17Å; M734-V756 HydrophobicContact SD-CG1 4.38Å; M734-V756 HydrophobicContact SD-CG2 4.03Å
735G85.3Confident89.3Confident38 Ų3850.6 Ų50.639%0.39228%0.28SS..THydrogen-bonded Turntrans109.219.117500000115.1V732 S733V732-G735 PolarHBondContact O-N 3.18Å; S733-G735 PolarHBondContact O-N 3.34Å
736F87.2Confident89.3Confident10 Ų1056 Ų564%0.04430%0.297CS..  trans-101157.6178.7-65-84.2000112.6R452 I731 V732 M734 Q740 I759 F760 I763R452-F736 HydrophobicContact CG-CZ 4.41Å; I731-F736 HydrophobicContact CG2-CB 4.05Å; I731-F736 HydrophobicContact CG2-CD2 3.94Å; I731-F736 HydrophobicContact CG2-CG 4.22Å; I731-F736 WeakPolarHBondContact O-CD2 3.41Å; V732-F736 WeakPolarHBondContact CA-O 3.31Å; M734-F736 HydrophobicContact CB-CD2 4.07Å; M734-F736 HydrophobicContact CB-CE2 4.15Å; F736-Q740 HydrophobicContact CB-CB 4.49Å; F736-I759 HydrophobicContact CB-CD1 3.83Å; F736-I759 HydrophobicContact CD1-CD1 3.35Å; F736-I759 HydrophobicContact CD1-CG1 3.67Å; F736-I759 HydrophobicContact CD1-CG2 4.47Å; F736-I759 HydrophobicContact CD2-CD1 4.04Å; F736-I759 HydrophobicContact CD2-CG2 4.36Å; F736-I759 HydrophobicContact CE1-CB 4.36Å; F736-I759 HydrophobicContact CE1-CD1 3.81Å; F736-I759 HydrophobicContact CE1-CG1 3.63Å; F736-I759 HydrophobicContact CE1-CG2 3.93Å; F736-I759 HydrophobicContact CE2-CD1 4.46Å; F736-I759 HydrophobicContact CE2-CG2 3.84Å; F736-I759 HydrophobicContact CG-CD1 3.46Å; F736-I759 VanDerWaalsContact CG-CD1 3.46Å; F736-I759 HydrophobicContact CG-CG1 4.25Å; F736-I759 HydrophobicContact CZ-CB 4.5Å; F736-I759 HydrophobicContact CZ-CD1 4.36Å; F736-I759 HydrophobicContact CZ-CG1 4.21Å; F736-I759 HydrophobicContact CZ-CG2 3.6Å; F736-F760 HydrophobicContact CE2-CD2 4.39Å; F736-F760 AromaticContact CE2-CE2 3.68Å; F736-F760 HydrophobicContact CE2-CE2 3.68Å; F736-F760 AromaticContact CE2-CZ 3.82Å; F736-F760 HydrophobicContact CE2-CZ 3.82Å; F736-F760 HydrophobicContact CZ-CD1 4.46Å; F736-F760 HydrophobicContact CZ-CD2 4.08Å; F736-F760 HydrophobicContact CZ-CE1 4.13Å; F736-F760 AromaticContact CZ-CE2 3.71Å; F736-F760 HydrophobicContact CZ-CE2 3.71Å; F736-F760 HydrophobicContact CZ-CG 4.43Å; F736-F760 AromaticContact CZ-CZ 3.72Å; F736-F760 HydrophobicContact CZ-CZ 3.72Å; F736-I763 HydrophobicContact CD1-CD1 4.41Å; F736-I763 HydrophobicContact CE1-CD1 3.48Å; F736-I763 VanDerWaalsContact CE1-CD1 3.48Å; F736-I763 HydrophobicContact CE1-CG1 4.19Å; F736-I763 HydrophobicContact CZ-CD1 4.14Å
737S89.8Confident89.3Confident56 Ų5653.7 Ų53.739%0.39229%0.292SS..  trans-72157.5172.788.70000111.1D739 Q740 A741S737-D739 PolarHBondContact O-N 3.13Å; S737-D739 PolarHBondContact OG-N 3.31Å; S737-Q740 PolarHBondContact O-N 2.97Å; S737-Q740 WeakPolarHBondContact OG-CG 3.39Å; S737-Q740 PolarHBondContact OG-N 3.42Å; S737-Q740 PolarHBondContact OG-OE1 3.19Å; S737-A741 PolarHBondContact O-N 2.98Å
738R89.8Confident89.3Confident125 Ų12553.1 Ų53.147%0.47229%0.288SS..Hα-helixtrans-59.3-36.8175.7-173.5179.2-177.9852.8111.8E725 V728 V732 A741 L742E725-R738 IonicContact OE1-CZ 3.52Å; E725-R738 IonicContact OE1-NH1 3.63Å; E725-R738 PolarHBondContact OE1-NH1 2.68Å; E725-R738 IonicContact OE1-NH2 3.54Å; E725-R738 PolarHBondContact OE1-NH2 3.26Å; E725-R738 VanDerWaalsContact OE1-NH2 3.13Å; E725-R738 IonicContact OE2-CZ 3.96Å; E725-R738 IonicContact OE2-NH1 2.95Å; E725-R738 IonicContact OE2-NH2 2.78Å; E725-R738 PolarHBondContact OE2-NH2 2.94Å; V728-R738 HydrophobicContact CG1-CG 4.13Å; V732-R738 HydrophobicContact CG2-CB 4.42Å; R738-A741 PolarHBondContact O-N 2.77Å; R738-L742 HydrophobicContact CG-CD1 4.2Å; R738-L742 VanDerWaalsContact O-CG 3.28Å; R738-L742 WeakPolarHBondContact O-CG 3.29Å; R738-L742 PolarHBondContact O-N 2.98Å; R738-L742 VanDerWaalsContact O-N 3.07Å
739D88.6Confident89.2Confident91 Ų9159.6 Ų59.649%0.48732%0.322SS..Hα-helixtrans-65.4-46.4178.6-175.970.1000111.5S737 A741 L742 K743S737-D739 PolarHBondContact O-N 3.13Å; S737-D739 PolarHBondContact OG-N 3.31Å; D739-A741 VanDerWaalsContact C-N 3.33Å; D739-A741 PolarHBondContact O-N 2.72Å; D739-L742 PolarHBondContact O-N 2.8Å; D739-K743 WeakPolarHBondContact O-CG 3.46Å; D739-K743 PolarHBondContact O-N 2.84Å; D739-K743 WeakPolarHBondContact OD2-CE 3.45Å; D739-K743 IonicContact OD2-NZ 2.99Å
740Q87.8Confident89.1Confident31 Ų3158.5 Ų58.515%0.14531%0.314CS..Hα-helixtrans-61.1-42177.2-66.1169.1-36.300111.4F736 S737 L742 K743 A744 I759 L766F736-Q740 HydrophobicContact CB-CB 4.49Å; S737-Q740 PolarHBondContact O-N 2.97Å; S737-Q740 WeakPolarHBondContact OG-CG 3.39Å; S737-Q740 PolarHBondContact OG-N 3.42Å; S737-Q740 PolarHBondContact OG-OE1 3.19Å; Q740-L742 PolarHBondContact O-N 2.68Å; Q740-K743 PolarHBondContact O-N 3.31Å; Q740-A744 WeakPolarHBondContact O-CB 3.34Å; Q740-A744 PolarHBondContact O-N 2.87Å; Q740-I759 HydrophobicContact CB-CD1 3.83Å; Q740-I759 HydrophobicContact CB-CG1 4.5Å; Q740-L766 HydrophobicContact CG-CD1 4.39Å
741A90.3Very high89.1Confident0 Ų057.9 Ų57.90%031%0.312CS..Hα-helixtrans-61.3-42.417600000112.6V728 I731 V732 S737 R738 D739 A744 L745V728-A741 HydrophobicContact CG1-CB 4.31Å; I731-A741 HydrophobicContact CB-CB 3.87Å; I731-A741 HydrophobicContact CD1-CB 4.45Å; I731-A741 HydrophobicContact CG2-CB 3.69Å; V732-A741 HydrophobicContact CG2-CB 4.18Å; S737-A741 PolarHBondContact O-N 2.98Å; R738-A741 PolarHBondContact O-N 2.77Å; D739-A741 VanDerWaalsContact C-N 3.33Å; D739-A741 PolarHBondContact O-N 2.72Å; A741-A744 PolarHBondContact O-N 2.91Å; A741-L745 WeakPolarHBondContact O-CB 3.34Å; A741-L745 WeakPolarHBondContact O-CD1 3.5Å; A741-L745 WeakPolarHBondContact O-CG 3.46Å; A741-L745 PolarHBondContact O-N 3.05Å
742L89.8Confident89.1Confident57 Ų5760.6 Ų60.630%0.29833%0.327SS..Hα-helixtrans-68.2-40.4177.8-70.4171.6000112.2P723 V728 R738 D739 Q740 R746P723-L742 HydrophobicContact CG-CD2 3.49Å; P723-L742 VanDerWaalsContact CG-CD2 3.49Å; V728-L742 HydrophobicContact CG2-CD2 3.92Å; R738-L742 HydrophobicContact CG-CD1 4.2Å; R738-L742 VanDerWaalsContact O-CG 3.28Å; R738-L742 WeakPolarHBondContact O-CG 3.29Å; R738-L742 PolarHBondContact O-N 2.98Å; R738-L742 VanDerWaalsContact O-N 3.07Å; D739-L742 PolarHBondContact O-N 2.8Å; Q740-L742 PolarHBondContact O-N 2.68Å; L742-R746 VanDerWaalsContact O-CB 3.27Å; L742-R746 WeakPolarHBondContact O-CB 3.44Å; L742-R746 PolarHBondContact O-N 3.43Å
743K89.9Confident88.9Confident84 Ų8465.4 Ų65.437%0.36535%0.345SS..Hα-helixtrans-59.4-47.7173.9-75.7-178.9175.3-177.80110.8D739 Q740 R746 A747 W758 L766 E769D739-K743 WeakPolarHBondContact O-CG 3.46Å; D739-K743 PolarHBondContact O-N 2.84Å; D739-K743 WeakPolarHBondContact OD2-CE 3.45Å; D739-K743 IonicContact OD2-NZ 2.99Å; Q740-K743 PolarHBondContact O-N 3.31Å; K743-R746 PolarHBondContact O-N 3.07Å; K743-A747 WeakPolarHBondContact O-CB 2.99Å; K743-A747 PolarHBondContact O-N 2.95Å; K743-W758 HydrophobicContact CB-CZ3 4.41Å; K743-L766 HydrophobicContact CD-CD2 4.08Å; K743-E769 IonicContact NZ-OE2 2.76Å
744A89.6Confident88.9Confident0 Ų067.6 Ų67.60%034%0.338CS..Hα-helixtrans-62.1-46.5179.600000112.9Q740 A741 R746 A747 T748 A755 W758 I759Q740-A744 WeakPolarHBondContact O-CB 3.34Å; Q740-A744 PolarHBondContact O-N 2.87Å; A741-A744 PolarHBondContact O-N 2.91Å; A744-R746 VanDerWaalsContact C-N 3.34Å; A744-R746 PolarHBondContact O-N 2.73Å; A744-A747 PolarHBondContact O-N 3.39Å; A744-T748 WeakPolarHBondContact O-CB 3.27Å; A744-T748 WeakPolarHBondContact O-CG2 3.49Å; A744-T748 PolarHBondContact O-N 3.07Å; A744-T748 PolarHBondContact O-OG1 2.76Å; A744-A755 HydrophobicContact CB-CB 4.13Å; A744-W758 VanDerWaalsContact CA-CE3 3.5Å; A744-W758 HydrophobicContact CB-CE3 3.65Å; A744-W758 HydrophobicContact CB-CZ3 4.18Å; A744-I759 HydrophobicContact CB-CB 4.01Å; A744-I759 HydrophobicContact CB-CD1 4.22Å; A744-I759 HydrophobicContact CB-CG1 4.33Å
745L90.7Very high89.2Confident0 Ų064.5 Ų64.50%032%0.322CS..Hα-helixtrans-65.2-38.1178-73.8161.3000111.9P723 C727 V728 I731 A741 T748 N749 N750 A755P723-L745 HydrophobicContact CB-CB 3.92Å; P723-L745 HydrophobicContact CB-CD1 3.8Å; P723-L745 HydrophobicContact CB-CG 4.35Å; P723-L745 HydrophobicContact CG-CB 4.41Å; P723-L745 HydrophobicContact CG-CD1 4.41Å; C727-L745 HydrophobicContact CB-CD1 4.16Å; C727-L745 HydrophobicContact CB-CD2 4.12Å; V728-L745 HydrophobicContact CG2-CD1 3.75Å; I731-L745 HydrophobicContact CD1-CD1 3.99Å; I731-L745 HydrophobicContact CD1-CD2 4.23Å; I731-L745 HydrophobicContact CD1-CG 3.89Å; A741-L745 WeakPolarHBondContact O-CB 3.34Å; A741-L745 WeakPolarHBondContact O-CD1 3.5Å; A741-L745 WeakPolarHBondContact O-CG 3.46Å; A741-L745 PolarHBondContact O-N 3.05Å; L745-T748 PolarHBondContact O-N 2.84Å; L745-T748 PolarHBondContact O-OG1 2.91Å; L745-N749 PolarHBondContact O-N 3.35Å; L745-N750 PolarHBondContact O-N 2.84Å; L745-A755 HydrophobicContact CD2-CB 3.79Å; L745-A755 HydrophobicContact CG-CB 4.07Å
746R90.9Very high89.3Confident210 Ų21063.3 Ų63.379%0.79231%0.308SS*.Hα-helixtrans-65.2-43.9175.7-174.8179.5-69-173.5-0.8112L742 K743 A744 T748L742-R746 VanDerWaalsContact O-CB 3.27Å; L742-R746 WeakPolarHBondContact O-CB 3.44Å; L742-R746 PolarHBondContact O-N 3.43Å; K743-R746 PolarHBondContact O-N 3.07Å; A744-R746 VanDerWaalsContact C-N 3.34Å; A744-R746 PolarHBondContact O-N 2.73Å; R746-T748 PolarHBondContact O-N 3.01Å
747A88.9Confident89.3Confident56 Ų5666.9 Ų66.946%0.46333%0.327SS..Hα-helixtrans-65-22.4179.100000113.1K743 A744 W758K743-A747 WeakPolarHBondContact O-CB 2.99Å; K743-A747 PolarHBondContact O-N 2.95Å; A744-A747 PolarHBondContact O-N 3.39Å; A747-W758 HydrophobicContact CB-CD2 4.06Å; A747-W758 HydrophobicContact CB-CG 4.37Å; A747-W758 HydrophobicContact CB-CZ2 4.06Å
748T90.2Very high89.3Confident4 Ų467.2 Ų67.23%0.02532%0.32CS..THydrogen-bonded Turntrans-115.216.2-171.258.30000113.7A744 L745 R746 N750 S751 R754 A755 W758A744-T748 WeakPolarHBondContact O-CB 3.27Å; A744-T748 WeakPolarHBondContact O-CG2 3.49Å; A744-T748 PolarHBondContact O-N 3.07Å; A744-T748 PolarHBondContact O-OG1 2.76Å; L745-T748 PolarHBondContact O-N 2.84Å; L745-T748 PolarHBondContact O-OG1 2.91Å; R746-T748 PolarHBondContact O-N 3.01Å; T748-N750 VanDerWaalsContact C-N 3.31Å; T748-N750 PolarHBondContact O-N 3.3Å; T748-S751 WeakPolarHBondContact O-CB 3.43Å; T748-S751 PolarHBondContact O-N 2.86Å; T748-S751 PolarHBondContact OG1-O 3.44Å; T748-R754 HydrophobicContact CG2-CB 3.84Å; T748-A755 WeakPolarHBondContact OG1-CB 3.46Å; T748-W758 HydrophobicContact CG2-CB 3.77Å; T748-W758 HydrophobicContact CG2-CG 4.1Å
749N89.8Confident89.2Confident136 Ų13661.3 Ų61.373%0.72730%0.298SS*.THydrogen-bonded Turntrans54.645.8178.5-15928.5000112.6L745 S751L745-N749 PolarHBondContact O-N 3.35Å; N749-S751 PolarHBondContact O-N 3.22Å
750N88.9Confident89Confident46 Ų4659 Ų5925%0.24628%0.283CS..THydrogen-bonded Turntrans61.218.8179.7-59-31.8000115.5D721 P723 L745 T748 L752D721-N750 PolarHBondContact O-ND2 3.25Å; D721-N750 VanDerWaalsContact O-ND2 3.08Å; P723-N750 WeakPolarHBondContact CB-OD1 3.35Å; L745-N750 PolarHBondContact O-N 2.84Å; T748-N750 VanDerWaalsContact C-N 3.31Å; T748-N750 PolarHBondContact O-N 3.3Å; N750-L752 PolarHBondContact O-N 3.48Å
751S90.3Very high89Confident45 Ų4561.1 Ų61.132%0.31530%0.302SS..  trans-82.8111.9172.5177.40000110.6T748 N749 E753 R754 A755T748-S751 WeakPolarHBondContact O-CB 3.43Å; T748-S751 PolarHBondContact O-N 2.86Å; T748-S751 PolarHBondContact OG1-O 3.44Å; N749-S751 PolarHBondContact O-N 3.22Å; S751-E753 PolarHBondContact O-N 2.96Å; S751-R754 PolarHBondContact O-N 2.93Å; S751-A755 WeakPolarHBondContact O-CB 3.25Å; S751-A755 PolarHBondContact O-N 3.2Å
752L88.8Confident88.7Confident58 Ų5864.1 Ų64.130%0.30432%0.315SS..Hα-helixtrans-57-47.3-177177.463000112.9C727 T730 I731 N750 R754 A755 V756C727-L752 HydrophobicContact CB-CD1 4.19Å; T730-L752 HydrophobicContact CG2-CD1 4.5Å; I731-L752 HydrophobicContact CD1-CD1 4.15Å; I731-L752 HydrophobicContact CG1-CD1 3.96Å; N750-L752 PolarHBondContact O-N 3.48Å; L752-R754 PolarHBondContact O-N 3.31Å; L752-A755 WeakPolarHBondContact O-CB 3.5Å; L752-A755 PolarHBondContact O-N 3.22Å; L752-V756 HydrophobicContact CD1-CG2 4.41Å; L752-V756 WeakPolarHBondContact O-CG2 3.33Å; L752-V756 PolarHBondContact O-N 2.68Å
753E87.4Confident88.3Confident157 Ų15762 Ų6273%0.73430%0.304SS*.Hα-helixtrans-61-48.7-177.6-64.6178.5174.700111.1S751 A755 V756 D757S751-E753 PolarHBondContact O-N 2.96Å; E753-A755 VanDerWaalsContact C-N 3.31Å; E753-A755 PolarHBondContact O-N 3.44Å; E753-V756 PolarHBondContact O-N 2.92Å; E753-D757 PolarHBondContact O-N 3.06Å; E753-D757 VanDerWaalsContact O-N 3.13Å
754R88.9Confident87.6Confident150 Ų15060.6 Ų60.657%0.56630%0.301SS*.Hα-helixtrans-64.5-36.1176.2-66.7-176.865.5-164.6-1.4112.1T748 S751 L752 V756 D757 W758T748-R754 HydrophobicContact CG2-CB 3.84Å; S751-R754 PolarHBondContact O-N 2.93Å; L752-R754 PolarHBondContact O-N 3.31Å; R754-V756 VanDerWaalsContact C-N 3.31Å; R754-V756 PolarHBondContact O-N 3.3Å; R754-D757 PolarHBondContact O-N 3.22Å; R754-W758 VanDerWaalsContact O-CB 3.27Å; R754-W758 WeakPolarHBondContact O-CB 3.49Å; R754-W758 PolarHBondContact O-N 3.37Å
755A89.7Confident87.1Confident0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-63.3-38.7177.300000111.6I731 A744 L745 T748 S751 L752 E753 W758 I759I731-A755 HydrophobicContact CD1-CB 3.91Å; A744-A755 HydrophobicContact CB-CB 4.13Å; L745-A755 HydrophobicContact CD2-CB 3.79Å; L745-A755 HydrophobicContact CG-CB 4.07Å; T748-A755 WeakPolarHBondContact OG1-CB 3.46Å; S751-A755 WeakPolarHBondContact O-CB 3.25Å; S751-A755 PolarHBondContact O-N 3.2Å; L752-A755 WeakPolarHBondContact O-CB 3.5Å; L752-A755 PolarHBondContact O-N 3.22Å; E753-A755 VanDerWaalsContact C-N 3.31Å; E753-A755 PolarHBondContact O-N 3.44Å; A755-W758 PolarHBondContact O-N 3.18Å; A755-I759 WeakPolarHBondContact O-CB 3.42Å; A755-I759 PolarHBondContact O-N 3.13Å
756V88.6Confident86.4Confident14 Ų1466 Ų669%0.08533%0.33CS..Hα-helixtrans-65.4-45.4173.9174.30000110.7I731 M734 L752 E753 R754 W758 I759 F760I731-V756 HydrophobicContact CG1-CG2 4.44Å; M734-V756 HydrophobicContact CE-CG2 4.17Å; M734-V756 HydrophobicContact SD-CG1 4.38Å; M734-V756 HydrophobicContact SD-CG2 4.03Å; L752-V756 HydrophobicContact CD1-CG2 4.41Å; L752-V756 WeakPolarHBondContact O-CG2 3.33Å; L752-V756 PolarHBondContact O-N 2.68Å; E753-V756 PolarHBondContact O-N 2.92Å; R754-V756 VanDerWaalsContact C-N 3.31Å; R754-V756 PolarHBondContact O-N 3.3Å; V756-W758 VanDerWaalsContact C-N 3.33Å; V756-W758 PolarHBondContact O-N 2.88Å; V756-I759 WeakPolarHBondContact O-CG2 3.5Å; V756-I759 PolarHBondContact O-N 3.21Å; V756-F760 HydrophobicContact CG1-CD2 4.07Å; V756-F760 HydrophobicContact CG1-CE2 4.19Å; V756-F760 WeakPolarHBondContact O-CD2 3.47Å; V756-F760 PolarHBondContact O-N 2.9Å
757D86.6Confident85.8Confident85 Ų8559 Ų5946%0.45531%0.308SS..Hα-helixtrans-66.8-36.5177.5-69.1-27.9000112.4R449 E753 R754 S761R449-D757 IonicContact NH2-OD1 2.74Å; R449-D757 PolarHBondContact NH2-OD1 2.77Å; E753-D757 PolarHBondContact O-N 3.06Å; E753-D757 VanDerWaalsContact O-N 3.13Å; R754-D757 PolarHBondContact O-N 3.22Å; D757-S761 WeakPolarHBondContact O-CB 3.36Å; D757-S761 PolarHBondContact O-N 3.1Å; D757-S761 VanDerWaalsContact O-N 3.12Å; D757-S761 PolarHBondContact O-OG 3.1Å
758W90.4Very high85.2Confident63 Ų6357.2 Ų57.224%0.23929%0.293CS..Hα-helixtrans-64-46.8177.3-169.489.6000111.6K743 A744 A747 T748 R754 A755 V756 F760 S761 H762 L766K743-W758 HydrophobicContact CB-CZ3 4.41Å; A744-W758 VanDerWaalsContact CA-CE3 3.5Å; A744-W758 HydrophobicContact CB-CE3 3.65Å; A744-W758 HydrophobicContact CB-CZ3 4.18Å; A747-W758 HydrophobicContact CB-CD2 4.06Å; A747-W758 HydrophobicContact CB-CG 4.37Å; A747-W758 HydrophobicContact CB-CZ2 4.06Å; T748-W758 HydrophobicContact CG2-CB 3.77Å; T748-W758 HydrophobicContact CG2-CG 4.1Å; R754-W758 VanDerWaalsContact O-CB 3.27Å; R754-W758 WeakPolarHBondContact O-CB 3.49Å; R754-W758 PolarHBondContact O-N 3.37Å; A755-W758 PolarHBondContact O-N 3.18Å; V756-W758 VanDerWaalsContact C-N 3.33Å; V756-W758 PolarHBondContact O-N 2.88Å; W758-F760 VanDerWaalsContact C-N 3.34Å; W758-F760 PolarHBondContact O-N 2.87Å; W758-S761 WeakPolarHBondContact CA-OG 3.21Å; W758-S761 PolarHBondContact O-N 2.71Å; W758-S761 PolarHBondContact O-OG 3.13Å; W758-H762 AromaticContact CD1-CE1 3.48Å; W758-H762 VanDerWaalsContact CD1-CE1 3.48Å; W758-H762 AromaticContact CD1-ND1 3.74Å; W758-H762 HydrophobicContact CD2-CB 4.5Å; W758-H762 AromaticContact CD2-ND1 3.81Å; W758-H762 AromaticContact CE2-CD2 3.84Å; W758-H762 AromaticContact CE2-CE1 3.8Å; W758-H762 AromaticContact CE2-CG 3.74Å; W758-H762 AromaticContact CE2-ND1 3.7Å; W758-H762 AromaticContact CE2-NE2 3.85Å; W758-H762 HydrophobicContact CE3-CB 4.4Å; W758-H762 AromaticContact CG-ND1 3.85Å; W758-H762 HydrophobicContact CH2-CB 4.18Å; W758-H762 HydrophobicContact CZ2-CB 4.26Å; W758-H762 AromaticContact CZ2-CD2 3.76Å; W758-H762 AromaticContact CZ2-CG 3.85Å; W758-H762 HydrophobicContact CZ3-CB 4.26Å; W758-H762 AromaticContact NE1-CD2 3.92Å; W758-H762 AromaticContact NE1-CE1 3.28Å; W758-H762 PolarHBondContact NE1-CE1 2.85Å; W758-H762 VanDerWaalsContact NE1-CE1 3.28Å; W758-H762 AromaticContact NE1-ND1 3.63Å; W758-H762 AromaticContact NE1-NE2 3.42Å; W758-H762 PolarHBondContact NE1-NE2 2.76Å; W758-H762 WeakPolarHBondContact O-CB 3.4Å; W758-H762 PolarHBondContact O-N 2.99Å; W758-H762 PolarHBondContact O-ND1 3.44Å; W758-L766 HydrophobicContact CH2-CD1 4.47Å; W758-L766 HydrophobicContact CZ3-CD1 4.03Å
759I87.7Confident84.4Confident1 Ų162 Ų621%0.00532%0.315CS..Hα-helixtrans-67.2-35.7-176.5-153.9168.6000112I731 F736 Q740 A744 A755 V756 I763I731-I759 HydrophobicContact CG2-CD1 3.75Å; F736-I759 HydrophobicContact CB-CD1 3.83Å; F736-I759 HydrophobicContact CD1-CD1 3.35Å; F736-I759 HydrophobicContact CD1-CG1 3.67Å; F736-I759 HydrophobicContact CD1-CG2 4.47Å; F736-I759 HydrophobicContact CD2-CD1 4.04Å; F736-I759 HydrophobicContact CD2-CG2 4.36Å; F736-I759 HydrophobicContact CE1-CB 4.36Å; F736-I759 HydrophobicContact CE1-CD1 3.81Å; F736-I759 HydrophobicContact CE1-CG1 3.63Å; F736-I759 HydrophobicContact CE1-CG2 3.93Å; F736-I759 HydrophobicContact CE2-CD1 4.46Å; F736-I759 HydrophobicContact CE2-CG2 3.84Å; F736-I759 HydrophobicContact CG-CD1 3.46Å; F736-I759 VanDerWaalsContact CG-CD1 3.46Å; F736-I759 HydrophobicContact CG-CG1 4.25Å; F736-I759 HydrophobicContact CZ-CB 4.5Å; F736-I759 HydrophobicContact CZ-CD1 4.36Å; F736-I759 HydrophobicContact CZ-CG1 4.21Å; F736-I759 HydrophobicContact CZ-CG2 3.6Å; Q740-I759 HydrophobicContact CB-CD1 3.83Å; Q740-I759 HydrophobicContact CB-CG1 4.5Å; A744-I759 HydrophobicContact CB-CB 4.01Å; A744-I759 HydrophobicContact CB-CD1 4.22Å; A744-I759 HydrophobicContact CB-CG1 4.33Å; A755-I759 WeakPolarHBondContact O-CB 3.42Å; A755-I759 PolarHBondContact O-N 3.13Å; V756-I759 WeakPolarHBondContact O-CG2 3.5Å; V756-I759 PolarHBondContact O-N 3.21Å; I759-I763 WeakPolarHBondContact O-CB 3.35Å; I759-I763 PolarHBondContact O-N 3.41Å; I759-I763 VanDerWaalsContact O-N 3.17Å
760F84.8Confident83.4Confident42 Ų4257.5 Ų57.518%0.18430%0.297CS..Hα-helixtrans-73.5-29.3176.6-85.4-83.7000112.9E448 R449 R452 F736 V756 W758E448-F760 HydrophobicContact CG-CD1 4.38Å; E448-F760 HydrophobicContact CG-CE1 4.37Å; R449-F760 HydrophobicContact CB-CE2 4.47Å; R449-F760 HydrophobicContact CB-CZ 4.31Å; R449-F760 HydrophobicContact CG-CD2 4.41Å; R449-F760 HydrophobicContact CG-CE2 3.99Å; R449-F760 HydrophobicContact CG-CZ 4.17Å; R452-F760 HydrophobicContact CB-CE1 4.44Å; R452-F760 HydrophobicContact CB-CZ 4.48Å; F736-F760 HydrophobicContact CE2-CD2 4.39Å; F736-F760 AromaticContact CE2-CE2 3.68Å; F736-F760 HydrophobicContact CE2-CE2 3.68Å; F736-F760 AromaticContact CE2-CZ 3.82Å; F736-F760 HydrophobicContact CE2-CZ 3.82Å; F736-F760 HydrophobicContact CZ-CD1 4.46Å; F736-F760 HydrophobicContact CZ-CD2 4.08Å; F736-F760 HydrophobicContact CZ-CE1 4.13Å; F736-F760 AromaticContact CZ-CE2 3.71Å; F736-F760 HydrophobicContact CZ-CE2 3.71Å; F736-F760 HydrophobicContact CZ-CG 4.43Å; F736-F760 AromaticContact CZ-CZ 3.72Å; F736-F760 HydrophobicContact CZ-CZ 3.72Å; V756-F760 HydrophobicContact CG1-CD2 4.07Å; V756-F760 HydrophobicContact CG1-CE2 4.19Å; V756-F760 WeakPolarHBondContact O-CD2 3.47Å; V756-F760 PolarHBondContact O-N 2.9Å; W758-F760 VanDerWaalsContact C-N 3.34Å; W758-F760 PolarHBondContact O-N 2.87Å
761S86.4Confident82.4Confident76 Ų7657.2 Ų57.253%0.53130%0.301SS..Hα-helixtrans-81-22.5176.749.10000114.1D757 W758D757-S761 WeakPolarHBondContact O-CB 3.36Å; D757-S761 PolarHBondContact O-N 3.1Å; D757-S761 VanDerWaalsContact O-N 3.12Å; D757-S761 PolarHBondContact O-OG 3.1Å; W758-S761 WeakPolarHBondContact CA-OG 3.21Å; W758-S761 PolarHBondContact O-N 2.71Å; W758-S761 PolarHBondContact O-OG 3.13Å
762H85.2Confident81.2Confident63 Ų6361 Ų6129%0.29232%0.315SS..SBendtrans-111.18.5-177.2-62.269.4000112.6W758 D764 D765 L766W758-H762 AromaticContact CD1-CE1 3.48Å; W758-H762 VanDerWaalsContact CD1-CE1 3.48Å; W758-H762 AromaticContact CD1-ND1 3.74Å; W758-H762 HydrophobicContact CD2-CB 4.5Å; W758-H762 AromaticContact CD2-ND1 3.81Å; W758-H762 AromaticContact CE2-CD2 3.84Å; W758-H762 AromaticContact CE2-CE1 3.8Å; W758-H762 AromaticContact CE2-CG 3.74Å; W758-H762 AromaticContact CE2-ND1 3.7Å; W758-H762 AromaticContact CE2-NE2 3.85Å; W758-H762 HydrophobicContact CE3-CB 4.4Å; W758-H762 AromaticContact CG-ND1 3.85Å; W758-H762 HydrophobicContact CH2-CB 4.18Å; W758-H762 HydrophobicContact CZ2-CB 4.26Å; W758-H762 AromaticContact CZ2-CD2 3.76Å; W758-H762 AromaticContact CZ2-CG 3.85Å; W758-H762 HydrophobicContact CZ3-CB 4.26Å; W758-H762 AromaticContact NE1-CD2 3.92Å; W758-H762 AromaticContact NE1-CE1 3.28Å; W758-H762 PolarHBondContact NE1-CE1 2.85Å; W758-H762 VanDerWaalsContact NE1-CE1 3.28Å; W758-H762 AromaticContact NE1-ND1 3.63Å; W758-H762 AromaticContact NE1-NE2 3.42Å; W758-H762 PolarHBondContact NE1-NE2 2.76Å; W758-H762 WeakPolarHBondContact O-CB 3.4Å; W758-H762 PolarHBondContact O-N 2.99Å; W758-H762 PolarHBondContact O-ND1 3.44Å; H762-D764 PolarHBondContact O-N 2.9Å; H762-D765 PolarHBondContact O-N 3.18Å; H762-L766 WeakPolarHBondContact O-CB 3.33Å; H762-L766 VanDerWaalsContact O-CG 3.23Å; H762-L766 WeakPolarHBondContact O-CG 3.45Å; H762-L766 PolarHBondContact O-N 3.49Å
763I79.6Confident79.8Confident12 Ų1263.8 Ų63.86%0.06233%0.331CS..Hα-helixtrans-64.4-42.2-172.5-162.9169.3000112.7R452 F736 I759 D765 L766 D767R452-I763 VanDerWaalsContact NH2-CD1 3.31Å; F736-I763 HydrophobicContact CD1-CD1 4.41Å; F736-I763 HydrophobicContact CE1-CD1 3.48Å; F736-I763 VanDerWaalsContact CE1-CD1 3.48Å; F736-I763 HydrophobicContact CE1-CG1 4.19Å; F736-I763 HydrophobicContact CZ-CD1 4.14Å; I759-I763 WeakPolarHBondContact O-CB 3.35Å; I759-I763 PolarHBondContact O-N 3.41Å; I759-I763 VanDerWaalsContact O-N 3.17Å; I763-D765 VanDerWaalsContact C-N 3.28Å; I763-D765 PolarHBondContact O-N 3.44Å; I763-L766 PolarHBondContact O-N 3.44Å; I763-D767 WeakPolarHBondContact O-CB 3.38Å; I763-D767 PolarHBondContact O-N 2.9Å
764D77.1Confident78.4Confident54 Ų5461 Ų6129%0.28932%0.319SS..Hα-helixtrans-67.9-34.8-178.1-62.6-45.5000110.3H762 A768H762-D764 PolarHBondContact O-N 2.9Å; D764-A768 VanDerWaalsContact O-CB 3.22Å; D764-A768 WeakPolarHBondContact O-CB 3.12Å; D764-A768 PolarHBondContact O-N 3.2Å
765D77.4Confident76.7Confident99 Ų9957.8 Ų57.853%0.52932%0.32SS..Hα-helixtrans-69.2-43.9174.9-61.7-23.4000111.4H762 I763 A768 E769H762-D765 PolarHBondContact O-N 3.18Å; I763-D765 VanDerWaalsContact C-N 3.28Å; I763-D765 PolarHBondContact O-N 3.44Å; D765-A768 WeakPolarHBondContact O-CB 3.28Å; D765-A768 PolarHBondContact O-N 3.01Å; D765-E769 WeakPolarHBondContact O-CG 3.39Å; D765-E769 PolarHBondContact O-N 3.01Å
766L77.4Confident74.7Confident15 Ų1566 Ų668%0.07936%0.358CS..Hα-helixtrans-65.4-40177.3-69.4170.9000112.2Q740 K743 W758 H762 I763 A768 A770Q740-L766 HydrophobicContact CG-CD1 4.39Å; K743-L766 HydrophobicContact CD-CD2 4.08Å; W758-L766 HydrophobicContact CH2-CD1 4.47Å; W758-L766 HydrophobicContact CZ3-CD1 4.03Å; H762-L766 WeakPolarHBondContact O-CB 3.33Å; H762-L766 VanDerWaalsContact O-CG 3.23Å; H762-L766 WeakPolarHBondContact O-CG 3.45Å; H762-L766 PolarHBondContact O-N 3.49Å; I763-L766 PolarHBondContact O-N 3.44Å; L766-A768 VanDerWaalsContact C-N 3.32Å; L766-A770 WeakPolarHBondContact O-CB 3.35Å; L766-A770 PolarHBondContact O-N 3.42Å
767D77.3Confident72.6Confident62 Ų6268.5 Ų68.533%0.33239%0.387SS..Hα-helixtrans-68.8-33.7175.6-73.8-10.2000110.2R452 I763 A771R452-D767 IonicContact NH2-OD2 3.68Å; R452-D767 PolarHBondContact NH2-OD2 3.38Å; I763-D767 WeakPolarHBondContact O-CB 3.38Å; I763-D767 PolarHBondContact O-N 2.9Å; D767-A771 PolarHBondContact O-N 3.41Å
768A76.1Confident70.4Confident20 Ų2073.7 Ų73.717%0.16540%0.401CS..Hα-helixtrans-69.5-43.7173.800000112.9D764 D765 L766 A770 A771 M772 V790D764-A768 VanDerWaalsContact O-CB 3.22Å; D764-A768 WeakPolarHBondContact O-CB 3.12Å; D764-A768 PolarHBondContact O-N 3.2Å; D765-A768 WeakPolarHBondContact O-CB 3.28Å; D765-A768 PolarHBondContact O-N 3.01Å; L766-A768 VanDerWaalsContact C-N 3.32Å; A768-A770 VanDerWaalsContact C-N 3.32Å; A768-A770 PolarHBondContact O-N 3.02Å; A768-A771 WeakPolarHBondContact O-CB 3.05Å; A768-A771 PolarHBondContact O-N 3.21Å; A768-A771 VanDerWaalsContact O-N 3.16Å; A768-M772 WeakPolarHBondContact O-CG 3.43Å; A768-M772 PolarHBondContact O-N 2.81Å; A768-V790 HydrophobicContact CB-CG1 4.21Å
769E74.5Confident68Low104 Ų10476.3 Ų76.349%0.48643%0.428SS..Hα-helixtrans-56.9-46.8172.3-76.1179.5-177.300110.7K743 D765 A771 M772 D773K743-E769 IonicContact NZ-OE2 2.76Å; D765-E769 WeakPolarHBondContact O-CG 3.39Å; D765-E769 PolarHBondContact O-N 3.01Å; E769-A771 VanDerWaalsContact C-N 3.27Å; E769-A771 PolarHBondContact O-N 3.02Å; E769-M772 WeakPolarHBondContact O-CB 3.31Å; E769-M772 PolarHBondContact O-N 2.83Å; E769-M772 VanDerWaalsContact O-N 3.1Å; E769-D773 PolarHBondContact O-N 3.1Å
770A69Low65.6Low42 Ų4281.9 Ų81.935%0.34747%0.474SS..Hα-helixtrans-61.9-34.9177.400000112.5L766 A768 I774L766-A770 WeakPolarHBondContact O-CB 3.35Å; L766-A770 PolarHBondContact O-N 3.42Å; A768-A770 VanDerWaalsContact C-N 3.32Å; A768-A770 PolarHBondContact O-N 3.02Å; A770-I774 WeakPolarHBondContact O-CD1 3.32Å; A770-I774 VanDerWaalsContact O-CG1 3.22Å; A770-I774 WeakPolarHBondContact O-CG1 3.32Å; A770-I774 PolarHBondContact O-N 3.21Å
771A66.7Low63.2Low39 Ų3983.9 Ų83.932%0.32250%0.499SS..Hα-helixtrans-68.7-35.1174.900000112.5D767 A768 E769 S775D767-A771 PolarHBondContact O-N 3.41Å; A768-A771 WeakPolarHBondContact O-CB 3.05Å; A768-A771 PolarHBondContact O-N 3.21Å; A768-A771 VanDerWaalsContact O-N 3.16Å; E769-A771 VanDerWaalsContact C-N 3.27Å; E769-A771 PolarHBondContact O-N 3.02Å; A771-S775 PolarHBondContact O-N 2.77Å
772M65.5Low60.7Low125 Ų12588.4 Ų88.462%0.61652%0.517SS*.Hα-helixtrans-66.3-45.8174.7-66.7-172.3-166.200111.5A768 E769 I774 S775 E776A768-M772 WeakPolarHBondContact O-CG 3.43Å; A768-M772 PolarHBondContact O-N 2.81Å; E769-M772 WeakPolarHBondContact O-CB 3.31Å; E769-M772 PolarHBondContact O-N 2.83Å; E769-M772 VanDerWaalsContact O-N 3.1Å; M772-I774 VanDerWaalsContact C-N 3.31Å; M772-I774 PolarHBondContact O-N 2.9Å; M772-S775 WeakPolarHBondContact O-CB 3.39Å; M772-S775 PolarHBondContact O-N 3.07Å; M772-S775 PolarHBondContact O-OG 3.31Å; M772-E776 PolarHBondContact O-N 3.17Å
773D58.8Low58.5Low117 Ų11790 Ų9063%0.62654%0.535SS*.Hα-helixtrans-60.3-37178.1-74.4-20.2000113E769 S775 G777E769-D773 PolarHBondContact O-N 3.1Å; D773-S775 VanDerWaalsContact C-N 3.29Å; D773-S775 PolarHBondContact O-N 2.77Å; D773-G777 PolarHBondContact O-N 2.83Å
774I58.4Low56.4Low97 Ų9797.1 Ų97.150%0.49757%0.572SS.*Hα-helixtrans-69.1-30.1177.8-67.1165.2000111.4A770 M772A770-I774 WeakPolarHBondContact O-CD1 3.32Å; A770-I774 VanDerWaalsContact O-CG1 3.22Å; A770-I774 WeakPolarHBondContact O-CG1 3.32Å; A770-I774 PolarHBondContact O-N 3.21Å; M772-I774 VanDerWaalsContact C-N 3.31Å; M772-I774 PolarHBondContact O-N 2.9Å
775S52.5Low54.3Low83 Ų8399.8 Ų99.858%0.5860%0.595SS**Hα-helixtrans-76.3-33.6-179.978.60000112.9A771 M772 D773 G777A771-S775 PolarHBondContact O-N 2.77Å; M772-S775 WeakPolarHBondContact O-CB 3.39Å; M772-S775 PolarHBondContact O-N 3.07Å; M772-S775 PolarHBondContact O-OG 3.31Å; D773-S775 VanDerWaalsContact C-N 3.29Å; D773-S775 PolarHBondContact O-N 2.77Å; S775-G777 VanDerWaalsContact C-N 3.35Å
776E47.8Very low52.1Low172 Ų172103.9 Ų103.980%0.80461%0.611SS**Hα-helixtrans-75.6-22.5177.3-67.3-165.1155.900113M772M772-E776 PolarHBondContact O-N 3.17Å
777G44.5Very low49.9Very low67 Ų67108.8 Ų108.869%0.69165%0.646SS**THydrogen-bonded Turntrans-86.7-4.3-179.900000116.5D773 S775D773-G777 PolarHBondContact O-N 2.83Å; S775-G777 VanDerWaalsContact C-N 3.35Å
778R42Very low48Very low195 Ų195111.2 Ų111.274%0.73666%0.663SS**SBendtrans-117118.3-176.3-69.2-176.1178.5-177.52.3111.7
779S38.8Very low46.4Very low118 Ų118115.3 Ų115.383%0.82569%0.688SS**  trans-59.3138.5169.8-60.50000110.9A781S779-A781 PolarHBondContact O-N 2.77Å
780A38.2Very low45.4Very low117 Ų117116.1 Ų116.197%0.96770%0.7SS**THydrogen-bonded Turntrans-65.627.3-167.800000117.3
781A34.3Very low45.4Very low85 Ų85115.6 Ų115.670%0.70270%0.698SS**THydrogen-bonded Turntrans-111.4-11.1-171.800000116.1S779S779-A781 PolarHBondContact O-N 2.77Å
782D33.1Very low46.2Very low171 Ų171115.4 Ų115.491%0.91469%0.694SS**SBendtrans-117.298.2175.2-82.6-30.5000111.2
783S40.1Very low47.3Very low96 Ų96116.5 Ų116.567%0.67170%0.695SS**  trans-99.1151.1-170.459.30000113.3
784I36Very low49Very low161 Ų161113 Ų11383%0.82668%0.678SS**  trans8287.7154.4-49.7148.2000116.9
785S32Very low50.8Low111 Ų111111.4 Ų111.478%0.77667%0.666SS**SBendtrans-171.2124.6135.958.70000110.6
786E30.4Very low52.8Low185 Ų185111.5 Ų111.586%0.86466%0.66SS**  trans59.490.2173-69.4-179.8161.300116.6V788E786-V788 PolarHBondContact O-N 2.84Å; E786-V788 VanDerWaalsContact O-N 3.1Å
787S31.1Very low55.1Low117 Ų117104.2 Ų104.282%0.81863%0.631SS**  trans-59.1109.8152.952.20000108P789S787-P789 WeakPolarHBondContact O-CD 3.44Å
788V37.5Very low57.6Low114 Ų114104.3 Ų104.369%0.69162%0.619SS**  trans-54.5122.7167.9179.80000106.8E786 V790E786-V788 PolarHBondContact O-N 2.84Å; E786-V788 VanDerWaalsContact O-N 3.1Å; V788-V790 PolarHBondContact O-N 3.15Å
789P44Very low60.2Low106 Ų10695.1 Ų95.169%0.68859%0.585SS**  trans-57.8118.7176.6-20.530.9000108.6S787 G791S787-P789 WeakPolarHBondContact O-CD 3.44Å; P789-G791 PolarHBondContact O-N 2.93Å
790V52.9Low63Low120 Ų12094.9 Ų94.973%0.72757%0.569SS**SBendtrans-75110.9174-179.50000106.6A768 V788A768-V790 HydrophobicContact CB-CG1 4.21Å; V788-V790 PolarHBondContact O-N 3.15Å
791G69.5Low65.9Low31 Ų3189.4 Ų89.432%0.3252%0.523SS..SBendtrans120.7173.4178.500000115.2P789P789-G791 PolarHBondContact O-N 2.93Å
792P83.3Confident68.9Low35 Ų3589.4 Ų89.423%0.22751%0.509CS..  trans-65.1137.8-173.723.8-33.3000112.1L464 V483 V794L464-P792 HydrophobicContact CD2-CG 4.05Å; V483-P792 HydrophobicContact CG2-CB 3.71Å; V483-P792 HydrophobicContact CG2-CG 3.38Å; P792-V794 PolarHBondContact O-N 3.17Å
793K89.1Confident72Confident149 Ų14981.4 Ų81.465%0.64847%0.466SS*.  trans-68.7117179.1-64-178.7-176.8178.80110.9R462R462-K793 PolarHBondContact NH1-O 3.29Å
794V94.1Very high74.8Confident43 Ų4377.6 Ų77.626%0.26144%0.437SS..  trans-129.7148.1175.5-64.70000111.1R462 L464 P792R462-V794 HydrophobicContact CB-CG1 4.5Å; R462-V794 HydrophobicContact CG-CG1 4Å; L464-V794 HydrophobicContact CD1-CG2 3.9Å; L464-V794 HydrophobicContact CG-CG1 4.08Å; L464-V794 HydrophobicContact CG-CG2 4.13Å; P792-V794 PolarHBondContact O-N 3.17Å
795R95.2Very high77.8Confident64 Ų6469.9 Ų69.924%0.24240%0.398CS..  trans-96.3118.2173.4-62.9177.7-168.9169.35.7108.3D349 E459 F565 D567D349-R795 IonicContact OD1-CZ 3.16Å; D349-R795 IonicContact OD1-NH1 3.21Å; D349-R795 PolarHBondContact OD1-NH1 2.71Å; D349-R795 IonicContact OD1-NH2 2.74Å; D349-R795 PolarHBondContact OD1-NH2 3.03Å; E459-R795 IonicContact OE2-CZ 2.77Å; E459-R795 IonicContact OE2-NE 2.8Å; E459-R795 PolarHBondContact OE2-NE 2.77Å; E459-R795 VanDerWaalsContact OE2-NE 3.17Å; E459-R795 IonicContact OE2-NH2 2.68Å; E459-R795 PolarHBondContact OE2-NH2 3.31Å; F565-R795 VanDerWaalsContact O-O 3.12Å; D567-R795 WeakPolarHBondContact OD2-CD 3.34Å; D567-R795 IonicContact OD2-CZ 2.93Å; D567-R795 IonicContact OD2-NE 2.94Å; D567-R795 IonicContact OD2-NH1 2.82Å; D567-R795 PolarHBondContact OD2-NH1 3.3Å
796D95.7Very high80.9Confident85 Ų8564.6 Ų64.646%0.45536%0.361SS..  trans-104.7151.6-179.7-162.222.3000112S564 F565 R603S564-D796 VanDerWaalsContact CA-OD1 3.3Å; S564-D796 WeakPolarHBondContact CA-OD1 3.43Å; S564-D796 WeakPolarHBondContact CB-OD1 3.33Å; F565-D796 PolarHBondContact N-OD1 2.91Å; R603-D796 IonicContact CZ-OD1 2.62Å; R603-D796 IonicContact CZ-OD2 3.83Å; R603-D796 IonicContact NH1-OD1 3.86Å; R603-D796 IonicContact NH1-OD2 2.94Å; R603-D796 PolarHBondContact NH1-OD2 2.85Å; R603-D796 IonicContact NH2-OD1 3.89Å; R603-D796 PolarHBondContact NH2-OD1 2.81Å; R603-D796 IonicContact NH2-OD2 3.89Å; R603-D796 PolarHBondContact NH2-OD2 3.29Å
797G95.2Very high84.2Confident19 Ų1955.8 Ų55.820%0.19632%0.32CS..  trans-168.7-175.8-178.100000113.3R603R603-G797 PolarHBondContact NH2-O 3.02Å
798P96.9Very high87.1Confident68 Ų6850.2 Ų50.244%0.44228%0.281SS..  trans-65.8138.9175.427.6-34.3000111.1K800 R855 A857P798-K800 PolarHBondContact O-N 3.08Å; P798-R855 WeakPolarHBondContact O-CD 3.47Å; P798-R855 WeakPolarHBondContact O-CG 3.49Å; P798-A857 HydrophobicContact CG-CB 4.2Å
799G96.3Very high89.5Confident2 Ų245.4 Ų45.42%0.02125%0.251CS..SBendtrans-76.342.9178.500000114.2F565 I599F565-G799 VanDerWaalsContact CD2-N 3.32Å; I599-G799 WeakPolarHBondContact CG1-O 3.28Å; I599-G799 PolarHBondContact N-O 2.89Å
800K98.1Very high91Very high113 Ų11340.4 Ų40.449%0.49122%0.218SC..EExtended strand (participates in β ladder)trans-116.9121.8-179.2-66.9-171.3179.1-167.30110.4L597 D598 P798 R855 V856L597-K800 WeakPolarHBondContact O-CA 3.36Å; D598-K800 VanDerWaalsContact OD2-CE 3.22Å; D598-K800 WeakPolarHBondContact OD2-CE 3.32Å; D598-K800 IonicContact OD2-NZ 3Å; P798-K800 PolarHBondContact O-N 3.08Å; K800-R855 WeakPolarHBondContact O-CA 3.47Å; K800-V856 PolarHBondContact O-N 2.69Å
801Y98.4Very high91.5Very high3 Ų334.8 Ų34.81%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-131.3157.8-169.1-63.1-91.4000113F565 P566 L569 E596 L597 I599 Y853 Q854 R855F565-Y801 WeakPolarHBondContact CB-OH 3.21Å; P566-Y801 VanDerWaalsContact CD-OH 3.29Å; P566-Y801 WeakPolarHBondContact CD-OH 3.44Å; P566-Y801 WeakPolarHBondContact O-CE1 3.47Å; P566-Y801 PolarHBondContact O-OH 2.9Å; L569-Y801 HydrophobicContact CB-CD1 4.13Å; L569-Y801 HydrophobicContact CB-CE1 3.72Å; L569-Y801 HydrophobicContact CB-CE2 4.41Å; L569-Y801 HydrophobicContact CD2-CE2 4.29Å; E596-Y801 WeakPolarHBondContact CA-O 3.48Å; L597-Y801 PolarHBondContact N-O 3.27Å; L597-Y801 PolarHBondContact O-N 2.84Å; I599-Y801 HydrophobicContact CD1-CD2 4.31Å; I599-Y801 HydrophobicContact CD1-CE2 3.82Å; I599-Y801 HydrophobicContact CG1-CD2 4.16Å; I599-Y801 HydrophobicContact CG1-CE2 3.92Å; Y801-Y853 WeakPolarHBondContact CD1-O 3.39Å; Y801-Q854 CarbonylContact C-O 3.59Å; Y801-Q854 VanDerWaalsContact CA-O 3.26Å; Y801-Q854 WeakPolarHBondContact CA-O 3.23Å; Y801-R855 HydrophobicContact CD1-CB 3.99Å; Y801-R855 HydrophobicContact CE1-CB 3.79Å; Y801-R855 HydrophobicContact CE1-CG 4.38Å
802Q98.1Very high91.3Very high84 Ų8435.8 Ų35.839%0.39318%0.184SC..EExtended strand (participates in β ladder)trans-119.3141.2166.6-78.6174.4-1.700110.2E595 E596 F804 Y853 Q854 V856E595-Q802 CarbonylContact O-C 3.58Å; E595-Q802 VanDerWaalsContact O-CA 3.22Å; E595-Q802 WeakPolarHBondContact O-CA 3.49Å; E596-Q802 HydrophobicContact CG-CG 4.49Å; Q802-F804 PolarHBondContact O-N 2.82Å; Q802-Y853 CarbonylContact O-C 3.54Å; Q802-Y853 WeakPolarHBondContact O-CA 3.42Å; Q802-Q854 PolarHBondContact N-O 3.12Å; Q802-Q854 PolarHBondContact O-N 3.36Å; Q802-V856 HydrophobicContact CG-CG2 3.82Å
803L98.4Very high90.4Very high3 Ų335.2 Ų35.22%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-64.6120.6177.3-179.165.5000109.8E595 F806 W829 K845 Y851 Y853E595-L803 PolarHBondContact O-N 2.9Å; L803-F806 HydrophobicContact CD2-CD1 4.46Å; L803-W829 HydrophobicContact CD2-CH2 3.81Å; L803-W829 HydrophobicContact CD2-CZ2 3.84Å; L803-W829 HydrophobicContact CG-CH2 3.85Å; L803-W829 HydrophobicContact CG-CZ2 4.11Å; L803-K845 HydrophobicContact CD2-CD 3.9Å; L803-K845 HydrophobicContact CD2-CG 4.08Å; L803-Y851 HydrophobicContact CD1-CD1 3.93Å; L803-Y853 HydrophobicContact CB-CD1 4.31Å; L803-Y853 HydrophobicContact CB-CE1 3.84Å; L803-Y853 HydrophobicContact CD1-CD2 4.35Å; L803-Y853 HydrophobicContact CD1-CE1 4.21Å; L803-Y853 HydrophobicContact CD1-CE2 3.93Å
804F98.3Very high89.3Confident16 Ų1630.5 Ų30.57%0.0717%0.165CC..EExtended strand (participates in β ladder)trans-104.4-48-175.5164.6-100.5000112.1V343 S346 I347 Y568 Q802 I823 K824 F852 Q854V343-F804 HydrophobicContact CG1-CE1 4.33Å; S346-F804 WeakPolarHBondContact O-CZ 3.47Å; I347-F804 HydrophobicContact CG1-CE1 3.94Å; I347-F804 HydrophobicContact CG1-CZ 4.22Å; Y568-F804 HydrophobicContact CD1-CD1 4.11Å; Y568-F804 HydrophobicContact CD1-CG 4.43Å; Y568-F804 HydrophobicContact CE1-CB 4.34Å; Y568-F804 AromaticContact CE1-CD1 3.68Å; Y568-F804 HydrophobicContact CE1-CD1 3.68Å; Y568-F804 HydrophobicContact CE1-CD2 4.08Å; Y568-F804 AromaticContact CE1-CE1 3.9Å; Y568-F804 HydrophobicContact CE1-CE1 3.9Å; Y568-F804 HydrophobicContact CE1-CE2 4.29Å; Y568-F804 AromaticContact CE1-CG 3.76Å; Y568-F804 HydrophobicContact CE1-CG 3.76Å; Y568-F804 HydrophobicContact CE1-CZ 4.19Å; Q802-F804 PolarHBondContact O-N 2.82Å; F804-I823 HydrophobicContact CE1-CG2 4.44Å; F804-I823 HydrophobicContact CE2-CG2 4.45Å; F804-I823 HydrophobicContact CZ-CG2 4.12Å; F804-K824 WeakPolarHBondContact O-CB 3.46Å; F804-K824 PolarHBondContact O-N 2.78Å; F804-F852 WeakPolarHBondContact CB-O 3.05Å; F804-F852 HydrophobicContact CD1-CB 4.08Å; F804-F852 PolarHBondContact N-O 2.87Å; F804-Q854 HydrophobicContact CB-CB 3.89Å; F804-Q854 HydrophobicContact CG-CB 4.46Å
805A98.6Very high87.5Confident0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-154.6163-179.200000111.6V343 H822 I823 F852V343-A805 HydrophobicContact CG1-CB 4.11Å; V343-A805 HydrophobicContact CG2-CB 4.12Å; A805-H822 CarbonylContact C-O 3.58Å; A805-H822 WeakPolarHBondContact CA-O 3.22Å; A805-H822 WeakPolarHBondContact CB-O 3.31Å; A805-I823 HydrophobicContact CB-CB 4.32Å; A805-I823 HydrophobicContact CB-CG1 4.04Å; A805-I823 HydrophobicContact CB-CG2 4.22Å; A805-F852 HydrophobicContact CB-CB 4.2Å; A805-F852 HydrophobicContact CB-CD2 4.41Å; A805-F852 PolarHBondContact N-O 2.85Å; A805-F852 VanDerWaalsContact N-O 3.16Å; A805-F852 PolarHBondContact O-N 2.98Å
806F98.6Very high85.7Confident0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-150.8150.916862-87.8000111.9L803 S808 C821 H822 W829 P843 P844 K845 I850 Y851L803-F806 HydrophobicContact CD2-CD1 4.46Å; F806-S808 WeakPolarHBondContact CD2-OG 3.37Å; F806-S808 WeakPolarHBondContact CE2-OG 3.35Å; F806-C821 CarbonylContact O-C 3.51Å; F806-C821 VanDerWaalsContact O-CA 3.3Å; F806-C821 WeakPolarHBondContact O-CA 3.43Å; F806-H822 HydrophobicContact CD1-CB 4Å; F806-H822 HydrophobicContact CD2-CB 4.33Å; F806-H822 HydrophobicContact CE1-CB 3.48Å; F806-H822 VanDerWaalsContact CE1-CB 3.48Å; F806-H822 HydrophobicContact CE2-CB 3.87Å; F806-H822 AromaticContact CE2-CG 3.82Å; F806-H822 AromaticContact CE2-ND1 3.52Å; F806-H822 HydrophobicContact CG-CB 4.4Å; F806-H822 HydrophobicContact CZ-CB 3.41Å; F806-H822 VanDerWaalsContact CZ-CB 3.41Å; F806-H822 AromaticContact CZ-CG 3.51Å; F806-H822 AromaticContact CZ-ND1 3.69Å; F806-H822 PolarHBondContact N-O 3.37Å; F806-H822 PolarHBondContact O-N 3.01Å; F806-W829 AromaticContact CD1-CH2 3.88Å; F806-W829 HydrophobicContact CD1-CH2 3.88Å; F806-W829 AromaticContact CD1-CZ3 3.79Å; F806-W829 HydrophobicContact CD1-CZ3 3.79Å; F806-W829 HydrophobicContact CE1-CE3 4.22Å; F806-W829 AromaticContact CE1-CH2 3.83Å; F806-W829 HydrophobicContact CE1-CH2 3.83Å; F806-W829 AromaticContact CE1-CZ3 3.6Å; F806-W829 HydrophobicContact CE1-CZ3 3.6Å; F806-P843 HydrophobicContact CE1-CB 4.23Å; F806-P843 HydrophobicContact CZ-CB 4.04Å; F806-P844 HydrophobicContact CE2-CG 4.25Å; F806-P844 HydrophobicContact CZ-CG 4.39Å; F806-K845 HydrophobicContact CE1-CG 3.89Å; F806-K845 HydrophobicContact CZ-CG 4.28Å; F806-I850 CarbonylContact C-O 3.56Å; F806-I850 WeakPolarHBondContact CA-O 3.37Å; F806-Y851 HydrophobicContact CB-CD1 3.41Å; F806-Y851 VanDerWaalsContact CB-CD1 3.41Å; F806-Y851 HydrophobicContact CB-CE1 3.67Å; F806-Y851 HydrophobicContact CB-CG 4.01Å; F806-Y851 HydrophobicContact CD1-CE1 4.43Å; F806-Y851 HydrophobicContact CD2-CE1 4.38Å; F806-Y851 HydrophobicContact CG-CD1 4.12Å; F806-Y851 AromaticContact CG-CE1 3.94Å; F806-Y851 HydrophobicContact CG-CE1 3.94Å
807I98.3Very high84.3Confident0 Ų030.7 Ų30.70%017%0.172CC..EExtended strand (participates in β ladder)trans-108.5130175.9-60.8174.1000107.9V340 V343 A436 Y819 V820 C821 Y849 I850 F852V340-I807 HydrophobicContact CG2-CD1 3.77Å; V343-I807 HydrophobicContact CG2-CD1 4.32Å; V343-I807 HydrophobicContact CG2-CG1 4.11Å; A436-I807 HydrophobicContact CB-CG2 4.2Å; I807-Y819 HydrophobicContact CG2-CD1 3.65Å; I807-Y819 HydrophobicContact CG2-CE1 4.17Å; I807-V820 WeakPolarHBondContact CA-O 3.14Å; I807-C821 HydrophobicContact CG1-CB 3.95Å; I807-Y849 WeakPolarHBondContact O-CA 3.35Å; I807-Y849 WeakPolarHBondContact O-CB 3.28Å; I807-Y849 PolarHBondContact O-N 3.16Å; I807-I850 HydrophobicContact CB-CB 4.32Å; I807-I850 PolarHBondContact N-O 3.47Å; I807-I850 PolarHBondContact O-N 2.71Å; I807-I850 VanDerWaalsContact O-N 3.14Å; I807-F852 HydrophobicContact CD1-CE2 3.93Å; I807-F852 HydrophobicContact CD1-CZ 4.37Å; I807-F852 HydrophobicContact CG1-CE2 4.16Å
808S93.3Very high83.5Confident0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-112.4129.1-178.5-59.60000110.7F806 Y819 V820 G848F806-S808 WeakPolarHBondContact CD2-OG 3.37Å; F806-S808 WeakPolarHBondContact CE2-OG 3.35Å; S808-Y819 WeakPolarHBondContact O-CA 3.42Å; S808-Y819 WeakPolarHBondContact O-CD1 3.49Å; S808-V820 PolarHBondContact N-O 3.5Å; S808-V820 PolarHBondContact O-N 3.29Å; S808-G848 WeakPolarHBondContact OG-CA 3.33Å
809H86.6Confident83Confident13 Ų1328 Ų286%0.0615%0.148CC..EExtended strand (participates in β ladder)trans-93.4112.6167.1-179.9-103.5000109.6K586 S813 C816 G817 Y819 Y849K586-H809 PolarHBondContact NZ-O 2.78Å; H809-S813 PolarHBondContact CE1-O 3.14Å; H809-C816 PolarHBondContact CE1-O 2.71Å; H809-G817 WeakPolarHBondContact NE2-CA 3.48Å; H809-Y819 HydrophobicContact CB-CD1 4.12Å; H809-Y819 HydrophobicContact CB-CE1 3.52Å; H809-Y819 AromaticContact CD2-CE1 3.89Å; H809-Y819 AromaticContact CD2-CE2 3.66Å; H809-Y819 AromaticContact CD2-CZ 3.49Å; H809-Y819 VanDerWaalsContact CD2-CZ 3.49Å; H809-Y849 HydrophobicContact CB-CD1 4.49Å
810M75.8Confident82.7Confident0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-93.1126.5-179.2-51.3172.152.300110W307 I310 Q311 G817 H818 V820W307-M810 VanDerWaalsContact CA-CE 3.44Å; W307-M810 HydrophobicContact CB-CE 3.93Å; W307-M810 HydrophobicContact CD2-CE 3.58Å; W307-M810 HydrophobicContact CE3-CE 4.01Å; W307-M810 HydrophobicContact CG-CE 3.56Å; I310-M810 HydrophobicContact CB-CE 4.04Å; I310-M810 HydrophobicContact CB-CG 4.21Å; I310-M810 HydrophobicContact CB-SD 4.14Å; I310-M810 HydrophobicContact CD1-CB 4.32Å; I310-M810 HydrophobicContact CD1-CG 3.7Å; I310-M810 HydrophobicContact CG2-CE 4.22Å; I310-M810 HydrophobicContact CG2-CG 3.8Å; I310-M810 HydrophobicContact CG2-SD 3.66Å; Q311-M810 HydrophobicContact CG-CE 3.92Å; Q311-M810 HydrophobicContact CG-SD 4.21Å; M810-G817 CarbonylContact O-C 3.5Å; M810-G817 WeakPolarHBondContact O-CA 3.37Å; M810-H818 HydrophobicContact CB-CB 4.4Å; M810-H818 WeakPolarHBondContact CB-O 3.26Å; M810-H818 WeakPolarHBondContact CG-O 3.33Å; M810-H818 PolarHBondContact N-O 2.87Å; M810-H818 PolarHBondContact O-N 3.45Å; M810-V820 HydrophobicContact SD-CG1 3.88Å; M810-V820 HydrophobicContact SD-CG2 3.94Å
811G64.1Low82.7Confident2 Ų222.6 Ų22.62%0.02112%0.124CC..SBendtrans127.2151.617800000112.2E306 K586E306-G811 PolarHBondContact OE1-N 3.23Å; E306-G811 VanDerWaalsContact OE2-CA 3.23Å; E306-G811 WeakPolarHBondContact OE2-CA 3.41Å; E306-G811 PolarHBondContact OE2-N 2.73Å; K586-G811 WeakPolarHBondContact CD-O 3.41Å; K586-G811 WeakPolarHBondContact CE-O 3.42Å; K586-G811 PolarHBondContact NZ-O 2.94Å
812T64.3Low82.7Confident52 Ų5222.4 Ų22.432%0.31912%0.123SC..SBendtrans-86.9-13.9-175.653.20000113.7I304I304-T812 HydrophobicContact CD1-CG2 3.87Å
813S64.3Low82.7Confident23 Ų2318.4 Ų18.416%0.16110%0.104CC..  trans-81.7154.8179.1-174.90000112.1H809 M815 C816H809-S813 PolarHBondContact CE1-O 3.14Å; S813-M815 PolarHBondContact OG-N 3.04Å; S813-M815 VanDerWaalsContact OG-N 3.1Å; S813-C816 VanDerWaalsContact CB-SG 3.53Å; S813-C816 PolarHBondContact OG-N 3.32Å
814T66.5Low82.7Confident51 Ų5121.2 Ų21.231%0.31312%0.116SC..SBendtrans-87.2-22.9167.948.20000112.6F576 P584 K586F576-T814 HydrophobicContact CD1-CG2 3.96Å; F576-T814 HydrophobicContact CE1-CG2 4.42Å; P584-T814 HydrophobicContact CB-CG2 4.21Å; P584-T814 VanDerWaalsContact O-CG2 3.29Å; P584-T814 WeakPolarHBondContact O-CG2 3.37Å; P584-T814 PolarHBondContact O-OG1 2.82Å; K586-T814 HydrophobicContact CB-CG2 4.02Å
815M56Low82.5Confident153 Ų15321.9 Ų21.975%0.75412%0.119SC*.SBendtrans-94.1-16.1-175.4-57.4-174.3-61.600112.7S813S813-M815 PolarHBondContact OG-N 3.04Å; S813-M815 VanDerWaalsContact OG-N 3.1Å
816C58.3Low82.2Confident29 Ų2929.4 Ų29.420%0.19615%0.154CC..  trans-149.2155.4179.665.50000114Q433 H809 S813Q433-C816 VanDerWaalsContact OE1-CB 3.23Å; H809-C816 PolarHBondContact CE1-O 2.71Å; S813-C816 VanDerWaalsContact CB-SG 3.53Å; S813-C816 PolarHBondContact OG-N 3.32Å
817G66.4Low81.8Confident14 Ų1432.6 Ų32.614%0.14419%0.187CC..  trans170.5-167.2173.900000112.4Q433 H809 M810Q433-G817 PolarHBondContact OE1-O 2.78Å; H809-G817 WeakPolarHBondContact NE2-CA 3.48Å; M810-G817 CarbonylContact O-C 3.5Å; M810-G817 WeakPolarHBondContact O-CA 3.37Å
818H77.8Confident81.6Confident21 Ų2136.9 Ų36.910%0.09720%0.203CC..EExtended strand (participates in β ladder)trans-130.1137.1178.6-17266.5000110.8W307 M810 N833 D834W307-H818 HydrophobicContact CH2-CB 3.48Å; W307-H818 VanDerWaalsContact CH2-CB 3.48Å; W307-H818 AromaticContact CH2-CD2 3.84Å; W307-H818 AromaticContact CH2-CG 3.55Å; W307-H818 HydrophobicContact CZ2-CB 3.42Å; W307-H818 VanDerWaalsContact CZ2-CB 3.42Å; W307-H818 HydrophobicContact CZ3-CB 4.44Å; M810-H818 HydrophobicContact CB-CB 4.4Å; M810-H818 WeakPolarHBondContact CB-O 3.26Å; M810-H818 WeakPolarHBondContact CG-O 3.33Å; M810-H818 PolarHBondContact N-O 2.87Å; M810-H818 PolarHBondContact O-N 3.45Å; H818-N833 PolarHBondContact NE2-OD1 3.35Å; H818-D834 IonicContact CE1-OD2 2.65Å; H818-D834 PolarHBondContact CE1-OD2 2.89Å
819Y85.7Confident81.8Confident10 Ų1037.8 Ų37.84%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-102.7133.6179.5-79.7-74.1000111.5C335 S339 Q434 D435 A436 I807 S808 H809 Y849C335-Y819 PolarHBondContact SG-N 3Å; C335-Y819 VanDerWaalsContact SG-N 3.41Å; S339-Y819 PolarHBondContact OG-O 2.82Å; Q434-Y819 VanDerWaalsContact O-CE2 3.29Å; Q434-Y819 WeakPolarHBondContact O-CE2 3.48Å; D435-Y819 PolarHBondContact OD2-OH 2.77Å; A436-Y819 HydrophobicContact CB-CD1 3.98Å; A436-Y819 HydrophobicContact CB-CE1 3.5Å; A436-Y819 HydrophobicContact CB-CE2 4.24Å; A436-Y819 PolarHBondContact N-OH 2.91Å; I807-Y819 HydrophobicContact CG2-CD1 3.65Å; I807-Y819 HydrophobicContact CG2-CE1 4.17Å; S808-Y819 WeakPolarHBondContact O-CA 3.42Å; S808-Y819 WeakPolarHBondContact O-CD1 3.49Å; H809-Y819 HydrophobicContact CB-CD1 4.12Å; H809-Y819 HydrophobicContact CB-CE1 3.52Å; H809-Y819 AromaticContact CD2-CE1 3.89Å; H809-Y819 AromaticContact CD2-CE2 3.66Å; H809-Y819 AromaticContact CD2-CZ 3.49Å; H809-Y819 VanDerWaalsContact CD2-CZ 3.49Å; Y819-Y849 AromaticContact CE1-CD1 3.97Å; Y819-Y849 HydrophobicContact CE1-CD1 3.97Å
820V91.3Very high82.3Confident0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-132.5158166.9-59.50000109.3I310 I807 S808 M810 N833I310-V820 HydrophobicContact CG2-CG2 3.6Å; I807-V820 WeakPolarHBondContact CA-O 3.14Å; S808-V820 PolarHBondContact N-O 3.5Å; S808-V820 PolarHBondContact O-N 3.29Å; M810-V820 HydrophobicContact SD-CG1 3.88Å; M810-V820 HydrophobicContact SD-CG2 3.94Å; V820-N833 HydrophobicContact CG1-CB 3.78Å
821C97.8Very high83.2Confident0 Ų037.4 Ų37.40%021%0.205CC..EExtended strand (participates in β ladder)trans-125.1145.8171.170.70000112.2V343 F806 I807 Y832V343-C821 HydrophobicContact CG2-CB 4.1Å; F806-C821 CarbonylContact O-C 3.51Å; F806-C821 VanDerWaalsContact O-CA 3.3Å; F806-C821 WeakPolarHBondContact O-CA 3.43Å; I807-C821 HydrophobicContact CG1-CB 3.95Å; C821-Y832 PolarHBondContact N-O 3.49Å; C821-Y832 PolarHBondContact O-N 2.99Å
822H98.4Very high84.7Confident0 Ų037.5 Ų37.50%021%0.205CC..EExtended strand (participates in β ladder)trans-111.6130.6172-69.878.7000108.8A805 F806 W829 V830A805-H822 CarbonylContact C-O 3.58Å; A805-H822 WeakPolarHBondContact CA-O 3.22Å; A805-H822 WeakPolarHBondContact CB-O 3.31Å; F806-H822 HydrophobicContact CD1-CB 4Å; F806-H822 HydrophobicContact CD2-CB 4.33Å; F806-H822 HydrophobicContact CE1-CB 3.48Å; F806-H822 VanDerWaalsContact CE1-CB 3.48Å; F806-H822 HydrophobicContact CE2-CB 3.87Å; F806-H822 AromaticContact CE2-CG 3.82Å; F806-H822 AromaticContact CE2-ND1 3.52Å; F806-H822 HydrophobicContact CG-CB 4.4Å; F806-H822 HydrophobicContact CZ-CB 3.41Å; F806-H822 VanDerWaalsContact CZ-CB 3.41Å; F806-H822 AromaticContact CZ-CG 3.51Å; F806-H822 AromaticContact CZ-ND1 3.69Å; F806-H822 PolarHBondContact N-O 3.37Å; F806-H822 PolarHBondContact O-N 3.01Å; H822-W829 HydrophobicContact CB-CE3 3.9Å; H822-W829 HydrophobicContact CB-CZ3 3.96Å; H822-V830 CarbonylContact C-O 3.36Å; H822-V830 VanDerWaalsContact CA-O 3.28Å; H822-V830 WeakPolarHBondContact CA-O 3.12Å
823I98.4Very high85.9Confident0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-131.9131.8-177.1-49.5179.3000108.7Q342 V343 S346 F804 A805 K825 V830 Y832Q342-I823 HydrophobicContact CB-CD1 4.06Å; Q342-I823 WeakPolarHBondContact O-CD1 3.4Å; V343-I823 HydrophobicContact CG2-CD1 4.08Å; V343-I823 HydrophobicContact CG2-CG1 4.25Å; S346-I823 WeakPolarHBondContact OG-CD1 3.36Å; F804-I823 HydrophobicContact CE1-CG2 4.44Å; F804-I823 HydrophobicContact CE2-CG2 4.45Å; F804-I823 HydrophobicContact CZ-CG2 4.12Å; A805-I823 HydrophobicContact CB-CB 4.32Å; A805-I823 HydrophobicContact CB-CG1 4.04Å; A805-I823 HydrophobicContact CB-CG2 4.22Å; I823-K825 HydrophobicContact CG2-CG 3.99Å; I823-K825 PolarHBondContact O-N 3.13Å; I823-V830 PolarHBondContact N-O 3.39Å; I823-V830 PolarHBondContact O-N 2.84Å; I823-Y832 HydrophobicContact CB-CE2 4.11Å; I823-Y832 HydrophobicContact CD1-CD2 3.98Å; I823-Y832 HydrophobicContact CD1-CE2 3.88Å; I823-Y832 HydrophobicContact CG1-CD2 4.14Å; I823-Y832 HydrophobicContact CG1-CE2 4.1Å
824K97.5Very high87.1Confident62 Ų6235.8 Ų35.827%0.2719%0.192SC..EExtended strand (participates in β ladder)trans-83109.8173.9-166.3171.1-175.8174.50109.1E595 F804 R828 W829E595-K824 IonicContact OE2-NZ 3.58Å; E595-K824 PolarHBondContact OE2-NZ 3.29Å; F804-K824 WeakPolarHBondContact O-CB 3.46Å; F804-K824 PolarHBondContact O-N 2.78Å; K824-R828 CarbonylContact C-O 3.45Å; K824-R828 WeakPolarHBondContact CA-O 3.48Å; K824-W829 HydrophobicContact CB-CD2 4.19Å; K824-W829 HydrophobicContact CB-CE3 4.24Å; K824-W829 HydrophobicContact CB-CH2 4.29Å; K824-W829 HydrophobicContact CB-CZ2 4.23Å; K824-W829 HydrophobicContact CB-CZ3 4.29Å; K824-W829 HydrophobicContact CD-CZ2 4.28Å
825K94.6Very high88Confident30 Ų3036.2 Ų36.213%0.1319%0.19CC..EExtended strand (participates in β ladder)trans-122.2135177.5-66-168.7179.2-179.70109.6G324 Y325 S346 I823 G827 R828 V830 Y832G324-K825 PolarHBondContact O-NZ 3.45Å; Y325-K825 HydrophobicContact CE1-CD 4.44Å; S346-K825 WeakPolarHBondContact OG-CE 3.24Å; S346-K825 PolarHBondContact OG-NZ 3.12Å; I823-K825 HydrophobicContact CG2-CG 3.99Å; I823-K825 PolarHBondContact O-N 3.13Å; K825-G827 PolarHBondContact O-N 2.83Å; K825-R828 PolarHBondContact N-O 3.38Å; K825-R828 WeakPolarHBondContact O-CG 3.33Å; K825-R828 PolarHBondContact O-N 3.35Å; K825-V830 HydrophobicContact CB-CG2 4.44Å; K825-Y832 WeakPolarHBondContact CD-OH 3.41Å; K825-Y832 WeakPolarHBondContact CE-OH 3.1Å; K825-Y832 PolarHBondContact NZ-OH 3.29Å
826E91.8Very high89.5Confident158 Ų15833.1 Ų33.174%0.73817%0.172SC*.THydrogen-bonded Turntrans52.533.4178.6-59.9163.4-140.200113.2Y325 R828Y325-E826 VanDerWaalsContact OH-CD 3.23Å; Y325-E826 PolarHBondContact OH-OE1 2.86Å; E826-R828 VanDerWaalsContact C-N 3.31Å; E826-R828 PolarHBondContact O-N 3.01Å
827G90.6Very high91.1Very high66 Ų6631.9 Ų31.968%0.6816%0.164SC*.THydrogen-bonded Turntrans79.3-1.1-178.800000116.2K825K825-G827 PolarHBondContact O-N 2.83Å
828R94.9Very high92.2Very high90 Ų9031.3 Ų31.334%0.3416%0.158SC..EExtended strand (participates in β ladder)trans-116.8154.1177.259.9173.3-179.6178.90.4112.2Y325 K824 K825 E826Y325-R828 VanDerWaalsContact CZ-NH2 3.33Å; Y325-R828 PolarHBondContact OH-NH2 2.86Å; K824-R828 CarbonylContact C-O 3.45Å; K824-R828 WeakPolarHBondContact CA-O 3.48Å; K825-R828 PolarHBondContact N-O 3.38Å; K825-R828 WeakPolarHBondContact O-CG 3.33Å; K825-R828 PolarHBondContact O-N 3.35Å; E826-R828 VanDerWaalsContact C-N 3.31Å; E826-R828 PolarHBondContact O-N 3.01Å
829W97.3Very high92.9Very high20 Ų2030.8 Ų30.88%0.07616%0.157CC..EExtended strand (participates in β ladder)trans-85.2141.4176.6-7799.6000111.5L803 F806 H822 K824 S840 P843L803-W829 HydrophobicContact CD2-CH2 3.81Å; L803-W829 HydrophobicContact CD2-CZ2 3.84Å; L803-W829 HydrophobicContact CG-CH2 3.85Å; L803-W829 HydrophobicContact CG-CZ2 4.11Å; F806-W829 AromaticContact CD1-CH2 3.88Å; F806-W829 HydrophobicContact CD1-CH2 3.88Å; F806-W829 AromaticContact CD1-CZ3 3.79Å; F806-W829 HydrophobicContact CD1-CZ3 3.79Å; F806-W829 HydrophobicContact CE1-CE3 4.22Å; F806-W829 AromaticContact CE1-CH2 3.83Å; F806-W829 HydrophobicContact CE1-CH2 3.83Å; F806-W829 AromaticContact CE1-CZ3 3.6Å; F806-W829 HydrophobicContact CE1-CZ3 3.6Å; H822-W829 HydrophobicContact CB-CE3 3.9Å; H822-W829 HydrophobicContact CB-CZ3 3.96Å; K824-W829 HydrophobicContact CB-CD2 4.19Å; K824-W829 HydrophobicContact CB-CE3 4.24Å; K824-W829 HydrophobicContact CB-CH2 4.29Å; K824-W829 HydrophobicContact CB-CZ2 4.23Å; K824-W829 HydrophobicContact CB-CZ3 4.29Å; K824-W829 HydrophobicContact CD-CZ2 4.28Å; W829-S840 PolarHBondContact O-N 3.25Å; W829-P843 HydrophobicContact CB-CB 4.35Å; W829-P843 HydrophobicContact CB-CG 4.13Å; W829-P843 HydrophobicContact CD2-CB 4.14Å; W829-P843 HydrophobicContact CD2-CG 3.97Å; W829-P843 HydrophobicContact CE3-CB 4.41Å; W829-P843 HydrophobicContact CG-CB 4.13Å; W829-P843 HydrophobicContact CG-CG 3.67Å
830V96.9Very high93.3Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-132.8128.1-178.6-176.20000108.4L320 Y325 H822 I823 K825 Y832 V837 C838L320-V830 HydrophobicContact CD1-CB 4.42Å; L320-V830 HydrophobicContact CD1-CG1 3.85Å; L320-V830 HydrophobicContact CD1-CG2 3.81Å; Y325-V830 HydrophobicContact CD1-CG1 4.34Å; Y325-V830 HydrophobicContact CE1-CG2 3.95Å; H822-V830 CarbonylContact C-O 3.36Å; H822-V830 VanDerWaalsContact CA-O 3.28Å; H822-V830 WeakPolarHBondContact CA-O 3.12Å; I823-V830 PolarHBondContact N-O 3.39Å; I823-V830 PolarHBondContact O-N 2.84Å; K825-V830 HydrophobicContact CB-CG2 4.44Å; V830-Y832 HydrophobicContact CB-CD2 4.5Å; V830-Y832 HydrophobicContact CB-CE2 3.77Å; V830-Y832 HydrophobicContact CG1-CD2 4.02Å; V830-Y832 HydrophobicContact CG1-CE1 4.47Å; V830-Y832 HydrophobicContact CG1-CE2 3.38Å; V830-V837 HydrophobicContact CG1-CG1 3.73Å; V830-C838 CarbonylContact C-O 3.49Å; V830-C838 WeakPolarHBondContact CA-O 3.29Å; V830-C838 WeakPolarHBondContact CG1-O 3.36Å
831I95.2Very high93.2Very high5 Ų537.5 Ų37.53%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-91.7130.3170.8-175.5174.4000109.5Q311 L317 V837 C838Q311-I831 HydrophobicContact CB-CD1 4.36Å; Q311-I831 HydrophobicContact CG-CD1 4.46Å; L317-I831 HydrophobicContact CD1-CG2 3.83Å; I831-V837 WeakPolarHBondContact O-CA 3.43Å; I831-C838 HydrophobicContact CG2-CB 3.87Å; I831-C838 WeakPolarHBondContact CG2-O 3.19Å; I831-C838 PolarHBondContact N-O 2.76Å; I831-C838 PolarHBondContact O-N 2.73Å; I831-C838 VanDerWaalsContact O-N 3.1Å
832Y95Very high92.8Very high4 Ų445.6 Ų45.62%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-111.8112.3169-61.8-100.8000107.9G324 Q342 C821 I823 K825 V830 V837G324-Y832 PolarHBondContact O-OH 3.49Å; Q342-Y832 VanDerWaalsContact CD-CD1 3.4Å; Q342-Y832 HydrophobicContact CG-CD1 4.14Å; Q342-Y832 HydrophobicContact CG-CG 4.23Å; Q342-Y832 VanDerWaalsContact NE2-CD1 3.35Å; C821-Y832 PolarHBondContact N-O 3.49Å; C821-Y832 PolarHBondContact O-N 2.99Å; I823-Y832 HydrophobicContact CB-CE2 4.11Å; I823-Y832 HydrophobicContact CD1-CD2 3.98Å; I823-Y832 HydrophobicContact CD1-CE2 3.88Å; I823-Y832 HydrophobicContact CG1-CD2 4.14Å; I823-Y832 HydrophobicContact CG1-CE2 4.1Å; K825-Y832 WeakPolarHBondContact CD-OH 3.41Å; K825-Y832 WeakPolarHBondContact CE-OH 3.1Å; K825-Y832 PolarHBondContact NZ-OH 3.29Å; V830-Y832 HydrophobicContact CB-CD2 4.5Å; V830-Y832 HydrophobicContact CB-CE2 3.77Å; V830-Y832 HydrophobicContact CG1-CD2 4.02Å; V830-Y832 HydrophobicContact CG1-CE1 4.47Å; V830-Y832 HydrophobicContact CG1-CE2 3.38Å; Y832-V837 HydrophobicContact CD1-CB 4.36Å; Y832-V837 HydrophobicContact CD1-CG1 3.81Å; Y832-V837 HydrophobicContact CD1-CG2 3.66Å; Y832-V837 HydrophobicContact CE1-CB 4.47Å; Y832-V837 HydrophobicContact CE1-CG1 3.55Å; Y832-V837 HydrophobicContact CE1-CG2 4.03Å; Y832-V837 HydrophobicContact CG-CG1 4.47Å
833N89.5Confident92.5Very high19 Ų1946.5 Ų46.510%0.10223%0.231CC..EExtended strand (participates in β ladder)trans-125.588.4177.6-178.35000108.1Q311 H818 V820 Q835 K836Q311-N833 PolarHBondContact NE2-ND2 2.86Å; Q311-N833 PolarHBondContact OE1-ND2 3.43Å; H818-N833 PolarHBondContact NE2-OD1 3.35Å; V820-N833 HydrophobicContact CG1-CB 3.78Å; N833-Q835 PolarHBondContact O-N 3.1Å; N833-K836 HydrophobicContact CB-CB 4.48Å; N833-K836 PolarHBondContact N-O 2.88Å; N833-K836 WeakPolarHBondContact O-CB 3.18Å; N833-K836 PolarHBondContact O-N 3.4Å
834D89.4Confident92.2Very high20 Ų2046.9 Ų46.911%0.10723%0.233CC..THydrogen-bonded Turntrans49-114-172.6-63.5-28.2000111.1G327 I328 N330 N338 H818 K836G327-D834 CarbonylContact C-O 3.6Å; G327-D834 WeakPolarHBondContact CA-O 3.23Å; I328-D834 PolarHBondContact N-O 3.36Å; I328-D834 CarbonylContact O-C 3.58Å; I328-D834 WeakPolarHBondContact O-CA 3.29Å; I328-D834 WeakPolarHBondContact O-CB 3.5Å; N330-D834 HydrophobicContact CB-CB 4.42Å; N330-D834 PolarHBondContact ND2-OD2 3.13Å; N338-D834 PolarHBondContact ND2-OD1 3.21Å; H818-D834 IonicContact CE1-OD2 2.65Å; H818-D834 PolarHBondContact CE1-OD2 2.89Å; D834-K836 VanDerWaalsContact C-N 3.31Å; D834-K836 PolarHBondContact O-N 2.99Å
835Q85.4Confident92.1Very high59 Ų5945.4 Ų45.428%0.27623%0.226SC..THydrogen-bonded Turntrans-74.3-22.8-178.6-66.6155-66.700112.9I328 Q329 V408 N833I328-Q835 PolarHBondContact O-N 3.32Å; I328-Q835 VanDerWaalsContact O-N 3.16Å; Q329-Q835 HydrophobicContact CB-CG 4.26Å; V408-Q835 HydrophobicContact CG1-CB 4.05Å; N833-Q835 PolarHBondContact O-N 3.1Å
836K86.4Confident92Very high88 Ų8845.7 Ų45.738%0.38323%0.229SC..EExtended strand (participates in β ladder)trans-86.2121.3-176.2-174.6178177.4-173.90109.9N833 D834 C838N833-K836 HydrophobicContact CB-CB 4.48Å; N833-K836 PolarHBondContact N-O 2.88Å; N833-K836 WeakPolarHBondContact O-CB 3.18Å; N833-K836 PolarHBondContact O-N 3.4Å; D834-K836 VanDerWaalsContact C-N 3.31Å; D834-K836 PolarHBondContact O-N 2.99Å; K836-C838 WeakPolarHBondContact CE-SG 3.29Å; K836-C838 VanDerWaalsContact CG-SG 3.58Å
837V92.1Very high92.1Very high4 Ų438.5 Ų38.52%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-125.3118.4175.6-174.20000108.8L320 Y325 V830 I831 Y832L320-V837 HydrophobicContact CB-CG1 4.32Å; L320-V837 PolarHBondContact N-O 2.71Å; Y325-V837 HydrophobicContact CD1-CG1 4.38Å; V830-V837 HydrophobicContact CG1-CG1 3.73Å; I831-V837 WeakPolarHBondContact O-CA 3.43Å; Y832-V837 HydrophobicContact CD1-CB 4.36Å; Y832-V837 HydrophobicContact CD1-CG1 3.81Å; Y832-V837 HydrophobicContact CD1-CG2 3.66Å; Y832-V837 HydrophobicContact CE1-CB 4.47Å; Y832-V837 HydrophobicContact CE1-CG1 3.55Å; Y832-V837 HydrophobicContact CE1-CG2 4.03Å; Y832-V837 HydrophobicContact CG-CG1 4.47Å
838C90.3Very high92.2Very high2 Ų235.4 Ų35.41%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-138.5153.5-174-57.70000112.1L317 K318 V830 I831 K836 S840L317-C838 HydrophobicContact CB-CB 3.63Å; L317-C838 HydrophobicContact CD1-CB 3.89Å; L317-C838 HydrophobicContact CG-CB 4.47Å; K318-C838 WeakPolarHBondContact O-CA 3.26Å; V830-C838 CarbonylContact C-O 3.49Å; V830-C838 WeakPolarHBondContact CA-O 3.29Å; V830-C838 WeakPolarHBondContact CG1-O 3.36Å; I831-C838 HydrophobicContact CG2-CB 3.87Å; I831-C838 WeakPolarHBondContact CG2-O 3.19Å; I831-C838 PolarHBondContact N-O 2.76Å; I831-C838 PolarHBondContact O-N 2.73Å; I831-C838 VanDerWaalsContact O-N 3.1Å; K836-C838 WeakPolarHBondContact CE-SG 3.29Å; K836-C838 VanDerWaalsContact CG-SG 3.58Å; C838-S840 PolarHBondContact O-N 3.1Å
839A93.3Very high92.3Very high9 Ų931.3 Ų31.37%0.07415%0.149CC..EExtended strand (participates in β ladder)trans-68.9124.3167.400000109.3L317 K318 L320L317-A839 WeakPolarHBondContact CD2-O 3.33Å; K318-A839 PolarHBondContact O-N 2.97Å; L320-A839 HydrophobicContact CD1-CB 4.13Å; L320-A839 HydrophobicContact CD2-CB 4.29Å; L320-A839 HydrophobicContact CG-CB 4.34Å
840S92.6Very high92.4Very high7 Ų730.4 Ų30.45%0.04915%0.146CC..EExtended strand (participates in β ladder)trans-94.8130.9177170.50000109.1E312 W829 C838E312-S840 VanDerWaalsContact OE2-CA 3.23Å; E312-S840 WeakPolarHBondContact OE2-CA 3.22Å; E312-S840 WeakPolarHBondContact OE2-CB 3.33Å; E312-S840 PolarHBondContact OE2-OG 2.88Å; W829-S840 PolarHBondContact O-N 3.25Å; C838-S840 PolarHBondContact O-N 3.1Å
841E89.7Confident92.5Very high145 Ų14530.5 Ų30.568%0.67815%0.146SC*.SBendtrans-97.6-41.3-176.3-66.9-66.2146.400110.9E312 P843E312-E841 PolarHBondContact OE1-N 3.37Å; E312-E841 PolarHBondContact OE2-N 3.41Å; E841-P843 WeakPolarHBondContact O-CD 3.45Å
842K89.6Confident92.6Very high170 Ų17030.3 Ų30.374%0.73915%0.145SC*.SBendtrans-124.174.1178.1-64.3-177.1-177.9179.60109.9E312E312-K842 WeakPolarHBondContact OE1-CA 3.38Å; E312-K842 WeakPolarHBondContact OE1-CB 3.48Å; E312-K842 PolarHBondContact OE1-N 2.94Å
843P92.3Very high92.8Very high19 Ų1930.1 Ų30.112%0.12314%0.144CC..  trans-60.5132.7-179.326.2-37000110.8F806 W829 E841 K845F806-P843 HydrophobicContact CE1-CB 4.23Å; F806-P843 HydrophobicContact CZ-CB 4.04Å; W829-P843 HydrophobicContact CB-CB 4.35Å; W829-P843 HydrophobicContact CB-CG 4.13Å; W829-P843 HydrophobicContact CD2-CB 4.14Å; W829-P843 HydrophobicContact CD2-CG 3.97Å; W829-P843 HydrophobicContact CE3-CB 4.41Å; W829-P843 HydrophobicContact CG-CB 4.13Å; W829-P843 HydrophobicContact CG-CG 3.67Å; E841-P843 WeakPolarHBondContact O-CD 3.45Å; P843-K845 HydrophobicContact CB-CG 4.42Å; P843-K845 HydrophobicContact CG-CG 4.36Å; P843-K845 PolarHBondContact O-N 2.8Å
844P92Very high93.2Very high8 Ų832.5 Ų32.55%0.05216%0.155CC..  trans-78.966.2-176.935.5-40.5000111.3I310 F806 D846 L847I310-P844 HydrophobicContact CB-CG 4.36Å; I310-P844 HydrophobicContact CG1-CB 4.38Å; I310-P844 HydrophobicContact CG1-CG 4.28Å; I310-P844 HydrophobicContact CG2-CG 4.18Å; F806-P844 HydrophobicContact CE2-CG 4.25Å; F806-P844 HydrophobicContact CZ-CG 4.39Å; P844-D846 PolarHBondContact O-N 2.77Å; P844-D846 VanDerWaalsContact O-N 3.11Å; P844-L847 PolarHBondContact O-N 2.81Å
845K94.3Very high93.6Very high30 Ų3032.3 Ų32.313%0.1315%0.153CC..THydrogen-bonded Turntrans-64.7-12.1-175.9-61.4173.8-147.5162.90113.5E595 L803 F806 P843 Y851E595-K845 HydrophobicContact CG-CD 4.47Å; E595-K845 IonicContact OE1-NZ 2.72Å; E595-K845 PolarHBondContact OE1-NZ 3.45Å; L803-K845 HydrophobicContact CD2-CD 3.9Å; L803-K845 HydrophobicContact CD2-CG 4.08Å; F806-K845 HydrophobicContact CE1-CG 3.89Å; F806-K845 HydrophobicContact CZ-CG 4.28Å; P843-K845 HydrophobicContact CB-CG 4.42Å; P843-K845 HydrophobicContact CG-CG 4.36Å; P843-K845 PolarHBondContact O-N 2.8Å; K845-Y851 WeakPolarHBondContact O-CE1 3.38Å; K845-Y851 PolarHBondContact O-OH 3.42Å
846D94Very high94Very high36 Ų3633.8 Ų33.819%0.19317%0.165CC..THydrogen-bonded Turntrans-90.9-14.5-179.667-52.3000113.7S590 I591 P844S590-D846 WeakPolarHBondContact CB-OD2 3.22Å; S590-D846 PolarHBondContact OG-OD2 2.76Å; I591-D846 PolarHBondContact N-O 2.67Å; I591-D846 VanDerWaalsContact O-CA 3.24Å; I591-D846 WeakPolarHBondContact O-CA 3.41Å; P844-D846 PolarHBondContact O-N 2.77Å; P844-D846 VanDerWaalsContact O-N 3.11Å
847L93.1Very high93.4Very high7 Ų732.9 Ų32.94%0.03717%0.174CC..THydrogen-bonded Turntrans-110.4-3-174.4-58-176.2000114.3L309 I310 K575 P844L309-L847 HydrophobicContact CD2-CD1 3.46Å; L309-L847 VanDerWaalsContact CD2-CD1 3.46Å; I310-L847 HydrophobicContact CD1-CB 4.35Å; I310-L847 HydrophobicContact CD1-CD1 4.11Å; I310-L847 HydrophobicContact CG1-CD1 3.95Å; K575-L847 PolarHBondContact NZ-O 3.03Å; P844-L847 PolarHBondContact O-N 2.81Å
848G93.6Very high91.8Very high2 Ų237.6 Ų37.62%0.02121%0.208CC..  trans-59.1160.8176.300000113.3K575 S808 Y851K575-G848 VanDerWaalsContact NZ-C 3.33Å; K575-G848 PolarHBondContact NZ-O 3.26Å; S808-G848 WeakPolarHBondContact OG-CA 3.33Å; G848-Y851 VanDerWaalsContact C-CE2 3.45Å; G848-Y851 VanDerWaalsContact CA-CZ 3.45Å; G848-Y851 WeakPolarHBondContact CA-OH 3.26Å; G848-Y851 PolarHBondContact N-OH 3.13Å; G848-Y851 WeakPolarHBondContact O-CE2 3.39Å; G848-Y851 PolarHBondContact O-OH 2.97Å
849Y96.8Very high91.9Very high4 Ų439.4 Ų39.42%0.01622%0.217CC..SBendtrans-112.1-50.8-178.6172.4-141.5000111.8D435 Q437 Q572 I573 K575 F576 I807 H809 Y819D435-Y849 PolarHBondContact OD1-OH 2.86Å; D435-Y849 WeakPolarHBondContact OD2-CE1 3.5Å; D435-Y849 PolarHBondContact OD2-OH 2.97Å; Q437-Y849 HydrophobicContact CB-CE1 4.43Å; Q572-Y849 HydrophobicContact CG-CD2 4.48Å; Q572-Y849 HydrophobicContact CG-CE2 3.71Å; Q572-Y849 PolarHBondContact NE2-OH 2.79Å; I573-Y849 PolarHBondContact N-O 3.33Å; I573-Y849 WeakPolarHBondContact O-CE2 3.33Å; K575-Y849 HydrophobicContact CG-CD2 4.39Å; F576-Y849 HydrophobicContact CE2-CD2 4.24Å; F576-Y849 AromaticContact CE2-CE2 3.5Å; F576-Y849 HydrophobicContact CE2-CE2 3.5Å; F576-Y849 VanDerWaalsContact CE2-CE2 3.5Å; F576-Y849 AromaticContact CE2-CZ 3.72Å; F576-Y849 HydrophobicContact CZ-CE2 4.14Å; I807-Y849 WeakPolarHBondContact O-CA 3.35Å; I807-Y849 WeakPolarHBondContact O-CB 3.28Å; I807-Y849 PolarHBondContact O-N 3.16Å; H809-Y849 HydrophobicContact CB-CD1 4.49Å; Y819-Y849 AromaticContact CE1-CD1 3.97Å; Y819-Y849 HydrophobicContact CE1-CD1 3.97Å
850I98.6Very high91.8Very high0 Ų041 Ų410%023%0.225CC..EExtended strand (participates in β ladder)trans-117.7123.9177.2-51.9171.1000107.7A436 Q437 V570 I571 F806 I807 F852A436-I850 HydrophobicContact CB-CD1 3.84Å; Q437-I850 HydrophobicContact CB-CD1 3.73Å; Q437-I850 HydrophobicContact CB-CG1 4.43Å; V570-I850 HydrophobicContact CG1-CG2 3.61Å; I571-I850 CarbonylContact O-C 3.51Å; I571-I850 WeakPolarHBondContact O-CA 3.15Å; F806-I850 CarbonylContact C-O 3.56Å; F806-I850 WeakPolarHBondContact CA-O 3.37Å; I807-I850 HydrophobicContact CB-CB 4.32Å; I807-I850 PolarHBondContact N-O 3.47Å; I807-I850 PolarHBondContact O-N 2.71Å; I807-I850 VanDerWaalsContact O-N 3.14Å; I850-F852 HydrophobicContact CB-CE2 4.36Å; I850-F852 HydrophobicContact CG2-CD2 4.45Å; I850-F852 HydrophobicContact CG2-CE2 3.69Å; I850-F852 HydrophobicContact CG2-CZ 3.9Å
851Y98.8Very high91.7Very high2 Ų242.9 Ų42.91%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-111.6145.3-179.4-65.4-98000110.5V570 I571 I573 M593 L803 F806 K845 G848V570-Y851 CarbonylContact C-O 3.52Å; V570-Y851 WeakPolarHBondContact CA-O 3.33Å; I571-Y851 PolarHBondContact N-O 3.04Å; I571-Y851 PolarHBondContact O-N 3.26Å; I573-Y851 HydrophobicContact CD1-CD2 4.13Å; I573-Y851 HydrophobicContact CD1-CE2 4.02Å; I573-Y851 HydrophobicContact CG1-CD2 3.94Å; I573-Y851 HydrophobicContact CG1-CE2 3.58Å; M593-Y851 HydrophobicContact CB-CD1 4.07Å; M593-Y851 HydrophobicContact CB-CE1 3.76Å; M593-Y851 HydrophobicContact CE-CD1 4.34Å; M593-Y851 HydrophobicContact CE-CD2 3.95Å; M593-Y851 HydrophobicContact CE-CE2 4.38Å; M593-Y851 HydrophobicContact CE-CG 3.92Å; M593-Y851 HydrophobicContact CG-CD1 3.92Å; M593-Y851 HydrophobicContact CG-CD2 4.2Å; M593-Y851 HydrophobicContact CG-CE1 3.5Å; M593-Y851 VanDerWaalsContact CG-CE1 3.5Å; M593-Y851 HydrophobicContact CG-CE2 3.78Å; M593-Y851 HydrophobicContact CG-CG 4.27Å; M593-Y851 HydrophobicContact SD-CE2 4.47Å; L803-Y851 HydrophobicContact CD1-CD1 3.93Å; F806-Y851 HydrophobicContact CB-CD1 3.41Å; F806-Y851 VanDerWaalsContact CB-CD1 3.41Å; F806-Y851 HydrophobicContact CB-CE1 3.67Å; F806-Y851 HydrophobicContact CB-CG 4.01Å; F806-Y851 HydrophobicContact CD1-CE1 4.43Å; F806-Y851 HydrophobicContact CD2-CE1 4.38Å; F806-Y851 HydrophobicContact CG-CD1 4.12Å; F806-Y851 AromaticContact CG-CE1 3.94Å; F806-Y851 HydrophobicContact CG-CE1 3.94Å; K845-Y851 WeakPolarHBondContact O-CE1 3.38Å; K845-Y851 PolarHBondContact O-OH 3.42Å; G848-Y851 VanDerWaalsContact C-CE2 3.45Å; G848-Y851 VanDerWaalsContact CA-CZ 3.45Å; G848-Y851 WeakPolarHBondContact CA-OH 3.26Å; G848-Y851 PolarHBondContact N-OH 3.13Å; G848-Y851 WeakPolarHBondContact O-CE2 3.39Å; G848-Y851 PolarHBondContact O-OH 2.97Å
852F98.8Very high91.8Very high1 Ų136.9 Ų36.90%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-122.2118.9178.7-63.7-97.9000108.5V343 F440 F461 V570 F804 A805 I807 I850V343-F852 HydrophobicContact CB-CE2 4.42Å; V343-F852 HydrophobicContact CG1-CD1 3.84Å; V343-F852 HydrophobicContact CG1-CD2 3.73Å; V343-F852 HydrophobicContact CG1-CE1 3.91Å; V343-F852 HydrophobicContact CG1-CE2 3.8Å; V343-F852 HydrophobicContact CG1-CG 3.75Å; V343-F852 HydrophobicContact CG1-CZ 3.89Å; V343-F852 HydrophobicContact CG2-CE2 4.35Å; F440-F852 HydrophobicContact CD2-CE1 4.49Å; F440-F852 HydrophobicContact CD2-CZ 4.35Å; F440-F852 AromaticContact CE2-CE1 3.89Å; F440-F852 HydrophobicContact CE2-CE1 3.89Å; F440-F852 HydrophobicContact CE2-CZ 4.2Å; F440-F852 HydrophobicContact CZ-CE1 4.33Å; F461-F852 HydrophobicContact CE1-CD1 4.18Å; F461-F852 HydrophobicContact CE1-CE1 4.27Å; F461-F852 HydrophobicContact CZ-CE1 4.49Å; V570-F852 HydrophobicContact CB-CE1 4.47Å; V570-F852 HydrophobicContact CG1-CD1 4.35Å; V570-F852 HydrophobicContact CG1-CE1 3.95Å; V570-F852 HydrophobicContact CG1-CZ 4.17Å; V570-F852 HydrophobicContact CG2-CD1 3.82Å; V570-F852 HydrophobicContact CG2-CE1 3.74Å; F804-F852 WeakPolarHBondContact CB-O 3.05Å; F804-F852 HydrophobicContact CD1-CB 4.08Å; F804-F852 PolarHBondContact N-O 2.87Å; A805-F852 HydrophobicContact CB-CB 4.2Å; A805-F852 HydrophobicContact CB-CD2 4.41Å; A805-F852 PolarHBondContact N-O 2.85Å; A805-F852 VanDerWaalsContact N-O 3.16Å; A805-F852 PolarHBondContact O-N 2.98Å; I807-F852 HydrophobicContact CD1-CE2 3.93Å; I807-F852 HydrophobicContact CD1-CZ 4.37Å; I807-F852 HydrophobicContact CG1-CE2 4.16Å; I850-F852 HydrophobicContact CB-CE2 4.36Å; I850-F852 HydrophobicContact CG2-CD2 4.45Å; I850-F852 HydrophobicContact CG2-CE2 3.69Å; I850-F852 HydrophobicContact CG2-CZ 3.9Å
853Y98.6Very high92Very high0 Ų028.6 Ų28.60%018%0.175CC..EExtended strand (participates in β ladder)trans-111.6119.8-177.8-87.6-85.2000109.4Y568 L569 I571 M593 P594 L597 Y801 Q802 L803Y568-Y853 CarbonylContact C-O 3.59Å; Y568-Y853 VanDerWaalsContact CA-O 3.23Å; Y568-Y853 WeakPolarHBondContact CA-O 3.47Å; L569-Y853 PolarHBondContact N-O 3.19Å; L569-Y853 PolarHBondContact O-N 2.57Å; I571-Y853 HydrophobicContact CD1-CD2 3.79Å; I571-Y853 HydrophobicContact CD1-CE2 3.86Å; I571-Y853 HydrophobicContact CG1-CD2 4.34Å; M593-Y853 HydrophobicContact CE-CE2 3.91Å; P594-Y853 WeakPolarHBondContact CD-OH 3.26Å; P594-Y853 VanDerWaalsContact O-CE1 3.25Å; P594-Y853 WeakPolarHBondContact O-CE1 3.21Å; P594-Y853 PolarHBondContact O-OH 2.98Å; L597-Y853 HydrophobicContact CB-CD1 3.78Å; L597-Y853 HydrophobicContact CB-CE1 3.56Å; L597-Y853 HydrophobicContact CD2-CD1 3.91Å; L597-Y853 HydrophobicContact CD2-CD2 4.09Å; L597-Y853 HydrophobicContact CD2-CE1 3.96Å; L597-Y853 HydrophobicContact CD2-CE2 4.12Å; L597-Y853 HydrophobicContact CD2-CG 3.98Å; L597-Y853 HydrophobicContact CG-CD1 4.5Å; L597-Y853 HydrophobicContact CG-CE1 4.36Å; Y801-Y853 WeakPolarHBondContact CD1-O 3.39Å; Q802-Y853 CarbonylContact O-C 3.54Å; Q802-Y853 WeakPolarHBondContact O-CA 3.42Å; L803-Y853 HydrophobicContact CB-CD1 4.31Å; L803-Y853 HydrophobicContact CB-CE1 3.84Å; L803-Y853 HydrophobicContact CD1-CD2 4.35Å; L803-Y853 HydrophobicContact CD1-CE1 4.21Å; L803-Y853 HydrophobicContact CD1-CE2 3.93Å
854Q98.4Very high92Very high69 Ų6929.2 Ų29.232%0.32218%0.179SC..EExtended strand (participates in β ladder)trans-88.6132177.3179.5179.611.300110.2Y568 Y801 Q802 F804Y568-Q854 HydrophobicContact CD1-CB 4.14Å; Y568-Q854 HydrophobicContact CE1-CB 3.74Å; Y568-Q854 HydrophobicContact CE1-CG 3.96Å; Y568-Q854 HydrophobicContact CE2-CG 4.04Å; Y568-Q854 PolarHBondContact OH-NE2 2.86Å; Y801-Q854 CarbonylContact C-O 3.59Å; Y801-Q854 VanDerWaalsContact CA-O 3.26Å; Y801-Q854 WeakPolarHBondContact CA-O 3.23Å; Q802-Q854 PolarHBondContact N-O 3.12Å; Q802-Q854 PolarHBondContact O-N 3.36Å; F804-Q854 HydrophobicContact CB-CB 3.89Å; F804-Q854 HydrophobicContact CG-CB 4.46Å
855R97.9Very high92Very high17 Ų1730.7 Ų30.76%0.06419%0.188CC..EExtended strand (participates in β ladder)trans-66.3136.8177-169.4172.168.4-126.1-5.5110.1F565 P566 D567 P798 K800 Y801 A857 S858F565-R855 PolarHBondContact O-NH1 2.9Å; P566-R855 PolarHBondContact O-NH1 3.18Å; P566-R855 VanDerWaalsContact O-NH1 3.15Å; D567-R855 VanDerWaalsContact N-NH1 3.17Å; D567-R855 VanDerWaalsContact O-CB 3.31Å; D567-R855 WeakPolarHBondContact O-CB 3.26Å; D567-R855 PolarHBondContact O-N 2.82Å; D567-R855 IonicContact OD1-CZ 3.13Å; D567-R855 IonicContact OD1-NH1 2.68Å; D567-R855 PolarHBondContact OD1-NH1 3.15Å; D567-R855 IonicContact OD1-NH2 2.88Å; D567-R855 PolarHBondContact OD1-NH2 2.72Å; P798-R855 WeakPolarHBondContact O-CD 3.47Å; P798-R855 WeakPolarHBondContact O-CG 3.49Å; K800-R855 WeakPolarHBondContact O-CA 3.47Å; Y801-R855 HydrophobicContact CD1-CB 3.99Å; Y801-R855 HydrophobicContact CE1-CB 3.79Å; Y801-R855 HydrophobicContact CE1-CG 4.38Å; R855-A857 PolarHBondContact NE-O 3.25Å; R855-A857 PolarHBondContact O-N 3.29Å; R855-S858 VanDerWaalsContact NH2-CB 3.27Å; R855-S858 PolarHBondContact O-OG 3.37Å
856V92.3Very high91.8Very high89 Ų8930.8 Ų30.854%0.53919%0.192SC..THydrogen-bonded Turntrans-67.6-25.1-176179.30000112.5K800 Q802K800-V856 PolarHBondContact O-N 2.69Å; Q802-V856 HydrophobicContact CG-CG2 3.82Å
857A75.4Confident91.6Very high69 Ų6930.3 Ų30.357%0.5719%0.192SC*.THydrogen-bonded Turntrans-123.862.5-177.300000111.2P798 R855P798-A857 HydrophobicContact CG-CB 4.2Å; R855-A857 PolarHBondContact NE-O 3.25Å; R855-A857 PolarHBondContact O-N 3.29Å
858S57Low91.5Very high104 Ų10432.5 Ų32.573%0.72721%0.207SC*.  trans-126.40177.960.30000112.4R855R855-S858 VanDerWaalsContact NH2-CB 3.27Å; R855-S858 PolarHBondContact O-OG 3.37Å

Retrieved 858 of 858 residues in 5401.8 ms (Link to these results)

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