A0A087XKR9_POEFO Loading...

Protein zer-1 homolog

AlphaFold DB , UniProt , Accession A0A087XKR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 784 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
1M35.7Very low56.3Low245 Ų24598.8 Ų98.8100%1.20762%0.618SS**  0111.90-64.6179-150.900106.8A3M1-A3 PolarHBondContact O-N 2.76Å
2A34.8Very low59.1Low101 Ų101102.7 Ų102.784%0.83563%0.63SS**PPolyproline II helixtrans-70.7125.4170.800000107.3K4A2-K4 PolarHBondContact O-N 3.29Å
3A39.7Very low61.5Low70 Ų70101.9 Ų101.958%0.57962%0.617SS**PPolyproline II helixtrans-56.9136.6172.600000108.7M1M1-A3 PolarHBondContact O-N 2.76Å
4K46.9Very low63.5Low125 Ų12597.5 Ų97.554%0.54359%0.59SS.*PPolyproline II helixtrans-62.9139.7173.2-70.7179.1177.61770107.8A2 G6 D7 S436A2-K4 PolarHBondContact O-N 3.29Å; K4-G6 PolarHBondContact O-N 3.09Å; K4-D7 PolarHBondContact O-N 3.09Å; K4-D7 VanDerWaalsContact O-N 3.15Å; K4-S436 PolarHBondContact NZ-O 3.01Å
5A44.1Very low65.3Low100 Ų10097.2 Ų97.283%0.82658%0.583SS**THydrogen-bonded Turntrans-52.7124.7178.800000110
6G53.3Low67Low38 Ų3893.7 Ų93.739%0.39257%0.568SS.*THydrogen-bonded Turntrans100.92-177.800000116.3K4 S439K4-G6 PolarHBondContact O-N 3.09Å; G6-S439 WeakPolarHBondContact O-CB 3.43Å; G6-S439 PolarHBondContact O-OG 2.96Å
7D60.2Low68.7Low63 Ų6388.6 Ų88.634%0.33754%0.537SS..  trans-100.110.5166.6-86.1-35.9000112.9K4 S439 V440K4-D7 PolarHBondContact O-N 3.09Å; K4-D7 VanDerWaalsContact O-N 3.15Å; D7-S439 WeakPolarHBondContact OD1-CA 3.18Å; D7-S439 WeakPolarHBondContact OD1-CB 3.19Å; D7-V440 PolarHBondContact OD1-N 3Å
8D67.5Low70Confident110 Ų11085.8 Ų85.859%0.58852%0.52SS*.PPolyproline II helixtrans-62.5134.8174.7-67.8-48.7000110.1
9P70.7Confident71.3Confident114 Ų11487.8 Ų87.874%0.7452%0.521SS*.PPolyproline II helixtrans-60.3146.7176.926.2-33.5000109.9S11P9-S11 PolarHBondContact O-N 3.12Å
10D79.5Confident72.4Confident58 Ų5884.9 Ų84.931%0.3151%0.505SS..PPolyproline II helixtrans-53.2141.3172.1-82.3-42.9000110.7L12 T14 L15 R441D10-L12 PolarHBondContact O-N 3.06Å; D10-T14 HydrophobicContact CB-CG2 4.35Å; D10-L15 HydrophobicContact CB-CD1 4.39Å; D10-L15 HydrophobicContact CB-CD2 3.82Å; D10-L15 HydrophobicContact CB-CG 3.79Å; D10-R441 IonicContact OD1-CZ 2.72Å; D10-R441 IonicContact OD1-NH1 2.7Å; D10-R441 PolarHBondContact OD1-NH1 3.04Å; D10-R441 IonicContact OD1-NH2 3.14Å; D10-R441 PolarHBondContact OD1-NH2 3.03Å; D10-R441 IonicContact OD2-NH2 3.45Å
11S87Confident73.5Confident63 Ų6381.1 Ų81.144%0.44148%0.483SS..PPolyproline II helixtrans-54.7144.3176.574.60000110P9 M13 T14 L15P9-S11 PolarHBondContact O-N 3.12Å; S11-M13 PolarHBondContact O-N 3.19Å; S11-T14 WeakPolarHBondContact O-CA 3.49Å; S11-T14 WeakPolarHBondContact O-CB 3.32Å; S11-T14 PolarHBondContact O-N 2.95Å; S11-T14 PolarHBondContact OG-N 2.98Å; S11-T14 VanDerWaalsContact OG-N 3.13Å; S11-T14 PolarHBondContact OG-OG1 2.95Å; S11-L15 PolarHBondContact O-N 3.46Å
12L89.9Confident76.2Confident145 Ų14575.2 Ų75.276%0.75945%0.447SS*.Hα-helixtrans-51.3-36.2175.2178.462000111.5D10 L15 A16D10-L12 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 3.22Å; L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 3.36Å
13M90.3Very high78.9Confident93 Ų9372.4 Ų72.446%0.45842%0.418SS..Hα-helixtrans-60-49.5174.7-175.866.585.200111.5S11 A16 T17 K52S11-M13 PolarHBondContact O-N 3.19Å; M13-A16 PolarHBondContact O-N 3.34Å; M13-T17 WeakPolarHBondContact O-CB 3.22Å; M13-T17 PolarHBondContact O-N 3.42Å; M13-T17 PolarHBondContact O-OG1 2.78Å; M13-K52 HydrophobicContact CG-CD 3.76Å; M13-K52 VanDerWaalsContact CG-NZ 3.3Å
14T89.2Confident81.4Confident40 Ų4069.4 Ų69.425%0.24539%0.392CS..Hα-helixtrans-61.6-47.1178.8-60.70000111.5D10 S11 A16 T17 V18 K52D10-T14 HydrophobicContact CB-CG2 4.35Å; S11-T14 WeakPolarHBondContact O-CA 3.49Å; S11-T14 WeakPolarHBondContact O-CB 3.32Å; S11-T14 PolarHBondContact O-N 2.95Å; S11-T14 PolarHBondContact OG-N 2.98Å; S11-T14 VanDerWaalsContact OG-N 3.13Å; S11-T14 PolarHBondContact OG-OG1 2.95Å; T14-A16 PolarHBondContact O-N 2.8Å; T14-T17 PolarHBondContact O-N 3.07Å; T14-V18 WeakPolarHBondContact O-CG2 3.34Å; T14-V18 PolarHBondContact O-N 3.14Å; T14-K52 PolarHBondContact OG1-NZ 3.02Å; T14-K52 VanDerWaalsContact OG1-NZ 3.13Å
15L90.8Very high83.4Confident93 Ų9369.1 Ų69.149%0.48739%0.388SS..Hα-helixtrans-60.3-44.9177.7-67.3174.3000111.6D10 S11 L12 V18 F19D10-L15 HydrophobicContact CB-CD1 4.39Å; D10-L15 HydrophobicContact CB-CD2 3.82Å; D10-L15 HydrophobicContact CB-CG 3.79Å; S11-L15 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.22Å; L15-V18 PolarHBondContact O-N 2.91Å; L15-F19 VanDerWaalsContact O-CB 3.3Å; L15-F19 WeakPolarHBondContact O-CB 3.32Å; L15-F19 PolarHBondContact O-N 3.08Å
16A93.2Very high85.6Confident41 Ų4172.7 Ų72.734%0.33938%0.384SS..Hα-helixtrans-66-41.5177.900000112.1L12 M13 T14 F19 C20L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 3.36Å; M13-A16 PolarHBondContact O-N 3.34Å; T14-A16 PolarHBondContact O-N 2.8Å; A16-F19 PolarHBondContact O-N 3.47Å; A16-C20 VanDerWaalsContact O-CB 3.3Å; A16-C20 WeakPolarHBondContact O-CB 3.2Å; A16-C20 PolarHBondContact O-N 3.38Å; A16-C20 PolarHBondContact O-SG 2.97Å
17T94.7Very high87.4Confident7 Ų772.5 Ų72.54%0.04338%0.376CS..Hα-helixtrans-58-52.2175.3-590000110.5M13 T14 F19 C20 L21 K52 L53 T56M13-T17 WeakPolarHBondContact O-CB 3.22Å; M13-T17 PolarHBondContact O-N 3.42Å; M13-T17 PolarHBondContact O-OG1 2.78Å; T14-T17 PolarHBondContact O-N 3.07Å; T17-F19 PolarHBondContact O-N 3.23Å; T17-C20 PolarHBondContact O-N 3Å; T17-L21 HydrophobicContact CG2-CD1 4.01Å; T17-L21 VanDerWaalsContact O-CG 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.19Å; T17-L21 PolarHBondContact O-N 2.93Å; T17-K52 HydrophobicContact CG2-CG 4.35Å; T17-L53 HydrophobicContact CG2-CD2 3.9Å; T17-L53 HydrophobicContact CG2-CG 4.46Å; T17-T56 HydrophobicContact CG2-CG2 3.88Å
18V93Very high88.8Confident39 Ų3970.5 Ų70.524%0.23637%0.365CS..Hα-helixtrans-61.9-43.5179.2174.20000111.1T14 L15 C20 L21 R22 T56 L60T14-V18 WeakPolarHBondContact O-CG2 3.34Å; T14-V18 PolarHBondContact O-N 3.14Å; L15-V18 PolarHBondContact O-N 2.91Å; V18-C20 PolarHBondContact O-N 3.41Å; V18-L21 PolarHBondContact O-N 3.44Å; V18-R22 WeakPolarHBondContact O-CG 3.12Å; V18-R22 PolarHBondContact O-N 3.4Å; V18-T56 HydrophobicContact CG2-CG2 3.99Å; V18-L60 HydrophobicContact CG1-CD1 4.41Å
19F93.5Very high90Very high123 Ų12365.4 Ų65.454%0.53934%0.338SS..Hα-helixtrans-60.8-46177.8-178.3-92.9000112.1L15 A16 T17 R22 N23 T27L15-F19 VanDerWaalsContact O-CB 3.3Å; L15-F19 WeakPolarHBondContact O-CB 3.32Å; L15-F19 PolarHBondContact O-N 3.08Å; A16-F19 PolarHBondContact O-N 3.47Å; T17-F19 PolarHBondContact O-N 3.23Å; F19-R22 PolarHBondContact O-N 3.16Å; F19-N23 WeakPolarHBondContact O-CB 3.3Å; F19-N23 PolarHBondContact O-N 3.33Å; F19-N23 VanDerWaalsContact O-N 3.14Å; F19-N23 PolarHBondContact O-ND2 3.15Å; F19-T27 HydrophobicContact CD1-CG2 4.36Å; F19-T27 HydrophobicContact CE1-CG2 4.05Å
20C94.1Very high90.9Very high29 Ų2965.8 Ų65.820%0.19633%0.325CS..Hα-helixtrans-62.5-43177.5-75.30000111.9A16 T17 V18 N23 L24 M28A16-C20 VanDerWaalsContact O-CB 3.3Å; A16-C20 WeakPolarHBondContact O-CB 3.2Å; A16-C20 PolarHBondContact O-N 3.38Å; A16-C20 PolarHBondContact O-SG 2.97Å; T17-C20 PolarHBondContact O-N 3Å; V18-C20 PolarHBondContact O-N 3.41Å; C20-N23 CarbonylContact O-C 3.51Å; C20-N23 PolarHBondContact O-N 3.41Å; C20-N23 VanDerWaalsContact O-N 3.11Å; C20-L24 WeakPolarHBondContact O-CA 3.33Å; C20-L24 PolarHBondContact O-N 3.09Å; C20-M28 HydrophobicContact CB-CE 3.83Å; C20-M28 HydrophobicContact CB-SD 4.31Å
21L94.7Very high91.1Very high6 Ų667.7 Ų67.73%0.03133%0.332CS..Hα-helixtrans-64.7-40.4178.4-69.7172.9000112.3T17 V18 N23 L24 L53 T56 Y57 L60 F67 F73T17-L21 HydrophobicContact CG2-CD1 4.01Å; T17-L21 VanDerWaalsContact O-CG 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.19Å; T17-L21 PolarHBondContact O-N 2.93Å; V18-L21 PolarHBondContact O-N 3.44Å; L21-N23 PolarHBondContact O-N 2.9Å; L21-L24 HydrophobicContact CD2-CD2 4.41Å; L21-L24 WeakPolarHBondContact O-CG 3.46Å; L21-L53 HydrophobicContact CD2-CD2 3.76Å; L21-L53 HydrophobicContact CG-CD2 3.94Å; L21-T56 HydrophobicContact CD1-CG2 3.82Å; L21-Y57 HydrophobicContact CD2-CD2 4.14Å; L21-L60 HydrophobicContact CB-CD1 4.1Å; L21-L60 HydrophobicContact CD1-CD1 3.88Å; L21-F67 HydrophobicContact CB-CE2 4.24Å; L21-F67 HydrophobicContact CB-CZ 4.41Å; L21-F73 HydrophobicContact CD2-CE2 3.73Å; L21-F73 HydrophobicContact CD2-CZ 3.98Å
22R92.8Very high90.7Very high122 Ų12265.6 Ų65.646%0.4632%0.32SS..Hα-helixtrans-70.3-14.7173.8-69-176.1-172.2-99.83.8113.8V18 F19 D64 F67V18-R22 WeakPolarHBondContact O-CG 3.12Å; V18-R22 PolarHBondContact O-N 3.4Å; F19-R22 PolarHBondContact O-N 3.16Å; R22-D64 IonicContact CZ-OD2 2.75Å; R22-D64 IonicContact NH1-OD2 3.71Å; R22-D64 PolarHBondContact NH1-OD2 3.23Å; R22-D64 IonicContact NH2-OD2 3.74Å; R22-D64 PolarHBondContact NH2-OD2 3.09Å; R22-F67 HydrophobicContact CG-CD2 4.26Å; R22-F67 HydrophobicContact CG-CE2 4.37Å
23N92.3Very high90Very high41 Ų4167.1 Ų67.122%0.21932%0.321CS..THydrogen-bonded Turntrans-134.538.2-172.7-64.9-86.5000112F19 C20 L21 R25 K26 T27F19-N23 WeakPolarHBondContact O-CB 3.3Å; F19-N23 PolarHBondContact O-N 3.33Å; F19-N23 VanDerWaalsContact O-N 3.14Å; F19-N23 PolarHBondContact O-ND2 3.15Å; C20-N23 CarbonylContact O-C 3.51Å; C20-N23 PolarHBondContact O-N 3.41Å; C20-N23 VanDerWaalsContact O-N 3.11Å; L21-N23 PolarHBondContact O-N 2.9Å; N23-R25 VanDerWaalsContact C-N 3.26Å; N23-R25 PolarHBondContact O-N 3.11Å; N23-R25 VanDerWaalsContact O-N 3.16Å; N23-K26 HydrophobicContact CB-CB 4.34Å; N23-K26 PolarHBondContact O-N 3.32Å; N23-T27 HydrophobicContact CB-CG2 4.13Å; N23-T27 WeakPolarHBondContact O-CG2 3.43Å; N23-T27 PolarHBondContact O-N 2.82Å; N23-T27 PolarHBondContact O-OG1 3.23Å
24L91.6Very high89.4Confident7 Ų772.6 Ų72.64%0.03734%0.337CS..Hα-helixtrans-51.2-45.4-173.3-76.8167.5000112.4C20 L21 K26 T27 M28 C29 L37 E70 F73C20-L24 WeakPolarHBondContact O-CA 3.33Å; C20-L24 PolarHBondContact O-N 3.09Å; L21-L24 HydrophobicContact CD2-CD2 4.41Å; L21-L24 WeakPolarHBondContact O-CG 3.46Å; L24-K26 VanDerWaalsContact C-N 3.31Å; L24-K26 PolarHBondContact O-N 3.4Å; L24-T27 PolarHBondContact O-N 3.11Å; L24-T27 PolarHBondContact O-OG1 3.13Å; L24-M28 HydrophobicContact CD2-CE 3.55Å; L24-M28 PolarHBondContact O-N 3.06Å; L24-C29 WeakPolarHBondContact O-CB 3.2Å; L24-C29 PolarHBondContact O-N 3.14Å; L24-L37 HydrophobicContact CB-CD2 4.15Å; L24-L37 HydrophobicContact CD1-CD2 4.05Å; L24-E70 HydrophobicContact CD1-CB 4.49Å; L24-E70 HydrophobicContact CD1-CG 4.07Å; L24-F73 HydrophobicContact CD1-CD2 3.99Å; L24-F73 HydrophobicContact CD1-CE2 4.32Å
25R89.4Confident88.7Confident120 Ų12076.3 Ų76.345%0.45336%0.355SS..Hα-helixtrans-68.8-23.5-179.3-59.4178.1-168.6-1443114.5N23 C29 L37 E70N23-R25 VanDerWaalsContact C-N 3.26Å; N23-R25 PolarHBondContact O-N 3.11Å; N23-R25 VanDerWaalsContact O-N 3.16Å; R25-C29 CarbonylContact C-O 3.57Å; R25-C29 WeakPolarHBondContact CA-O 3.33Å; R25-L37 HydrophobicContact CG-CD1 3.73Å; R25-E70 IonicContact CZ-OE1 3.11Å; R25-E70 IonicContact NE-OE1 3.62Å; R25-E70 PolarHBondContact NE-OE1 2.74Å; R25-E70 IonicContact NH2-OE1 3.6Å; R25-E70 PolarHBondContact NH2-OE1 3.27Å; R25-E70 VanDerWaalsContact NH2-OE1 3.08Å; R25-E70 IonicContact NH2-OE2 3.79Å; R25-E70 PolarHBondContact NH2-OE2 3.31Å
26K89.1Confident88.2Confident175 Ų17576.7 Ų76.776%0.76135%0.353SS*.Hα-helixtrans-94-16179.1-64.4178.7-179.3169.70112.4N23 L24N23-K26 HydrophobicContact CB-CB 4.34Å; N23-K26 PolarHBondContact O-N 3.32Å; L24-K26 VanDerWaalsContact C-N 3.31Å; L24-K26 PolarHBondContact O-N 3.4Å
27T91.4Very high87.9Confident34 Ų3475.1 Ų75.121%0.20934%0.339CS..Hα-helixtrans-112.1-74.8-17255.20000111F19 N23 L24F19-T27 HydrophobicContact CD1-CG2 4.36Å; F19-T27 HydrophobicContact CE1-CG2 4.05Å; N23-T27 HydrophobicContact CB-CG2 4.13Å; N23-T27 WeakPolarHBondContact O-CG2 3.43Å; N23-T27 PolarHBondContact O-N 2.82Å; N23-T27 PolarHBondContact O-OG1 3.23Å; L24-T27 PolarHBondContact O-N 3.11Å; L24-T27 PolarHBondContact O-OG1 3.13Å
28M90.8Very high87.6Confident21 Ų2176.8 Ų76.810%0.10335%0.35CS..THydrogen-bonded Turntrans-106.3-16.5-166.2-57.8179.7-60.200114.5C20 L24 R40 I43 L45 L53C20-M28 HydrophobicContact CB-CE 3.83Å; C20-M28 HydrophobicContact CB-SD 4.31Å; L24-M28 HydrophobicContact CD2-CE 3.55Å; L24-M28 PolarHBondContact O-N 3.06Å; M28-R40 WeakPolarHBondContact O-CG 3.49Å; M28-R40 PolarHBondContact O-N 3.43Å; M28-I43 VanDerWaalsContact CA-CD1 3.42Å; M28-I43 HydrophobicContact CB-CD1 3.95Å; M28-I43 HydrophobicContact CG-CD1 4.32Å; M28-I43 WeakPolarHBondContact O-CD1 3.25Å; M28-L45 HydrophobicContact SD-CD1 4.13Å; M28-L53 HydrophobicContact CE-CD1 4.18Å; M28-L53 HydrophobicContact CE-CD2 4.06Å; M28-L53 HydrophobicContact SD-CD1 4.25Å
29C92.1Very high87.5Confident3 Ų376.4 Ų76.42%0.0235%0.346CS..EExtended strand (participates in β ladder)trans-125.9160.4-168.8-56.50000112.2L24 R25 L37 C38L24-C29 WeakPolarHBondContact O-CB 3.2Å; L24-C29 PolarHBondContact O-N 3.14Å; R25-C29 CarbonylContact C-O 3.57Å; R25-C29 WeakPolarHBondContact CA-O 3.33Å; C29-L37 HydrophobicContact CB-CD1 3.53Å; C29-L37 HydrophobicContact CB-CD2 4.1Å; C29-L37 HydrophobicContact CB-CG 3.64Å; C29-C38 CarbonylContact C-O 3.49Å; C29-C38 WeakPolarHBondContact CA-O 3.47Å; C29-C38 WeakPolarHBondContact CB-O 3.29Å
30Y88.7Confident87.3Confident121 Ų12175.5 Ų75.548%0.47534%0.339SS..EExtended strand (participates in β ladder)trans-132.1164.1167.669.8-81.3000110.1G32 C38 M39 R40Y30-G32 PolarHBondContact O-N 3.41Å; Y30-C38 HydrophobicContact CD1-CB 4.23Å; Y30-C38 WeakPolarHBondContact CD1-O 3.42Å; Y30-C38 HydrophobicContact CE1-CB 3.72Å; Y30-C38 HydrophobicContact CE2-CB 4.14Å; Y30-C38 PolarHBondContact N-O 3.12Å; Y30-C38 PolarHBondContact O-N 3.05Å; Y30-M39 WeakPolarHBondContact CE1-O 3.43Å; Y30-R40 HydrophobicContact CD1-CG 4Å
31Q84.6Confident87Confident98 Ų9879.2 Ų79.246%0.45837%0.372SS..EExtended strand (participates in β ladder)trans-85.3113179.2-169.3164-13.300109.9N35Q31-N35 PolarHBondContact NE2-OD1 3.48Å
32G78.7Confident86.7Confident19 Ų1984.5 Ų84.520%0.19640%0.4CS..  trans-89.4-163.2178.900000113.2Y30 N35 K36Y30-G32 PolarHBondContact O-N 3.41Å; G32-N35 PolarHBondContact O-N 2.88Å; G32-K36 WeakPolarHBondContact CA-O 3.39Å; G32-K36 PolarHBondContact N-O 2.95Å
33F75.9Confident86.6Confident177 Ų17780.3 Ų80.378%0.77639%0.387SS*.G310 helixtrans-62.8140.4178.6-169.8-107.4000111.7N35 K36F33-N35 VanDerWaalsContact C-N 3.32Å; F33-N35 PolarHBondContact O-N 3.19Å; F33-K36 PolarHBondContact O-N 2.76Å
34R77.8Confident86.7Confident208 Ų20883.6 Ų83.679%0.78540%0.399SS*.G310 helixtrans54.738.5-174.1-62.3-179.1-178.7-168.20.4114.3K36R34-K36 PolarHBondContact O-N 3.09Å
35N73.6Confident86.8Confident118 Ų11884 Ų8463%0.63140%0.402SS*.G310 helixtrans59.214.6-179.1-73.61.1000115.6Q31 G32 F33Q31-N35 PolarHBondContact NE2-OD1 3.48Å; G32-N35 PolarHBondContact O-N 2.88Å; F33-N35 VanDerWaalsContact C-N 3.32Å; F33-N35 PolarHBondContact O-N 3.19Å
36K80.4Confident87.1Confident102 Ų10280.3 Ų80.344%0.44339%0.393SS..  trans-72.5136.3177.4-68.2-169.7174.8-1700111.1G32 F33 R34G32-K36 WeakPolarHBondContact CA-O 3.39Å; G32-K36 PolarHBondContact N-O 2.95Å; F33-K36 PolarHBondContact O-N 2.76Å; R34-K36 PolarHBondContact O-N 3.09Å
37L86.3Confident87.3Confident8 Ų873.1 Ų73.14%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-73.6129.8176.6-162.667.6000109.5L24 R25 C29 E70 S72 L76L24-L37 HydrophobicContact CB-CD2 4.15Å; L24-L37 HydrophobicContact CD1-CD2 4.05Å; R25-L37 HydrophobicContact CG-CD1 3.73Å; C29-L37 HydrophobicContact CB-CD1 3.53Å; C29-L37 HydrophobicContact CB-CD2 4.1Å; C29-L37 HydrophobicContact CB-CG 3.64Å; L37-E70 HydrophobicContact CD2-CG 4.46Å; L37-S72 WeakPolarHBondContact CB-OG 3.47Å; L37-S72 PolarHBondContact N-OG 3.15Å; L37-L76 HydrophobicContact CB-CD2 4.38Å; L37-L76 HydrophobicContact CD2-CD1 4Å; L37-L76 HydrophobicContact CD2-CD2 4.34Å; L37-L76 HydrophobicContact CG-CD2 4.14Å
38C88.4Confident87.3Confident42 Ų4278 Ų7828%0.28439%0.385SS..EExtended strand (participates in β ladder)trans-126137.7-178.6-70.10000110.4C29 Y30C29-C38 CarbonylContact C-O 3.49Å; C29-C38 WeakPolarHBondContact CA-O 3.47Å; C29-C38 WeakPolarHBondContact CB-O 3.29Å; Y30-C38 HydrophobicContact CD1-CB 4.23Å; Y30-C38 WeakPolarHBondContact CD1-O 3.42Å; Y30-C38 HydrophobicContact CE1-CB 3.72Å; Y30-C38 HydrophobicContact CE2-CB 4.14Å; Y30-C38 PolarHBondContact N-O 3.12Å; Y30-C38 PolarHBondContact O-N 3.05Å
39M90.6Very high87.5Confident30 Ų3079.6 Ų79.615%0.14839%0.393CS..EExtended strand (participates in β ladder)trans-68.2138.4173.3-169.3161.9-65.800110Y30 I43 L45 L76 T83Y30-M39 WeakPolarHBondContact CE1-O 3.43Å; M39-I43 HydrophobicContact CG-CB 4.22Å; M39-I43 HydrophobicContact CG-CG2 4.2Å; M39-I43 HydrophobicContact SD-CG2 3.99Å; M39-L45 HydrophobicContact CE-CD1 3.82Å; M39-L45 HydrophobicContact SD-CD1 4.23Å; M39-L45 HydrophobicContact SD-CG 4.42Å; M39-L76 HydrophobicContact CB-CD2 4.46Å; M39-L76 HydrophobicContact CE-CB 4.09Å; M39-T83 HydrophobicContact CE-CG2 3.4Å; M39-T83 HydrophobicContact SD-CG2 3.35Å; M39-T83 WeakPolarHBondContact SD-CG2 3.46Å
40R90.6Very high87.7Confident104 Ų10479.4 Ų79.439%0.39239%0.392SS..  trans-65.4143.6176.5-62.616950.1157.30.5110.7M28 Y30 D42 I43M28-R40 WeakPolarHBondContact O-CG 3.49Å; M28-R40 PolarHBondContact O-N 3.43Å; Y30-R40 HydrophobicContact CD1-CG 4Å; R40-D42 WeakPolarHBondContact CB-OD1 3.47Å; R40-D42 IonicContact CZ-OD1 3.2Å; R40-D42 IonicContact CZ-OD2 3.43Å; R40-D42 IonicContact NE-OD1 2.69Å; R40-D42 PolarHBondContact NE-OD1 2.97Å; R40-D42 VanDerWaalsContact NE-OD1 3.11Å; R40-D42 IonicContact NE-OD2 3.57Å; R40-D42 IonicContact NH2-OD1 3.2Å; R40-D42 IonicContact NH2-OD2 3.62Å; R40-D42 PolarHBondContact NH2-OD2 2.73Å; R40-D42 PolarHBondContact O-N 3.36Å; R40-I43 HydrophobicContact CB-CD1 3.95Å; R40-I43 HydrophobicContact CB-CG1 4.14Å; R40-I43 HydrophobicContact CG-CD1 4.35Å; R40-I43 PolarHBondContact O-N 3.15Å; R40-I43 VanDerWaalsContact O-N 3.13Å
41A86.9Confident88Confident108 Ų10874.5 Ų74.589%0.89337%0.374SS*.THydrogen-bonded Turntrans-67.8-19.6-17400000114.1I43A41-I43 VanDerWaalsContact C-N 3.32Å
42D89.5Confident88.4Confident116 Ų11672.5 Ų72.562%0.6236%0.364SS*.THydrogen-bonded Turntrans-86.40177.158.6-30.4000113.5R40R40-D42 WeakPolarHBondContact CB-OD1 3.47Å; R40-D42 IonicContact CZ-OD1 3.2Å; R40-D42 IonicContact CZ-OD2 3.43Å; R40-D42 IonicContact NE-OD1 2.69Å; R40-D42 PolarHBondContact NE-OD1 2.97Å; R40-D42 VanDerWaalsContact NE-OD1 3.11Å; R40-D42 IonicContact NE-OD2 3.57Å; R40-D42 IonicContact NH2-OD1 3.2Å; R40-D42 IonicContact NH2-OD2 3.62Å; R40-D42 PolarHBondContact NH2-OD2 2.73Å; R40-D42 PolarHBondContact O-N 3.36Å
43I90.8Very high89.2Confident34 Ų3471.9 Ų71.917%0.17436%0.356CS..  trans-106125.2-175.8-65-178.7000110.4M28 M39 R40 A41 L45M28-I43 VanDerWaalsContact CA-CD1 3.42Å; M28-I43 HydrophobicContact CB-CD1 3.95Å; M28-I43 HydrophobicContact CG-CD1 4.32Å; M28-I43 WeakPolarHBondContact O-CD1 3.25Å; M39-I43 HydrophobicContact CG-CB 4.22Å; M39-I43 HydrophobicContact CG-CG2 4.2Å; M39-I43 HydrophobicContact SD-CG2 3.99Å; R40-I43 HydrophobicContact CB-CD1 3.95Å; R40-I43 HydrophobicContact CB-CG1 4.14Å; R40-I43 HydrophobicContact CG-CD1 4.35Å; R40-I43 PolarHBondContact O-N 3.15Å; R40-I43 VanDerWaalsContact O-N 3.13Å; A41-I43 VanDerWaalsContact C-N 3.32Å; I43-L45 HydrophobicContact CG2-CD1 4.36Å; I43-L45 HydrophobicContact CG2-CD2 3.81Å; I43-L45 HydrophobicContact CG2-CG 3.8Å
44F93.3Very high90.1Very high111 Ų11163.5 Ų63.549%0.48732%0.319SS..  trans-122125.1169.7175.8-95000109.2P46 R81 S82F44-P46 HydrophobicContact CE1-CB 4.3Å; F44-R81 WeakPolarHBondContact CD2-O 3.49Å; F44-R81 WeakPolarHBondContact CE2-O 3.21Å; F44-S82 CarbonylContact C-O 3.46Å; F44-S82 VanDerWaalsContact CA-O 3.31Å; F44-S82 WeakPolarHBondContact CA-O 3.36Å; F44-S82 VanDerWaalsContact CD2-O 3.31Å; F44-S82 WeakPolarHBondContact CD2-O 3.27Å
45L94.1Very high90.8Very high16 Ų1656.1 Ų56.18%0.08430%0.296CS..BIsolated β-bridgetrans-116.5116.4-179.1-58.8-178.2000110.1M28 M39 I43 I49 C50 L53 S82 T83 R84M28-L45 HydrophobicContact SD-CD1 4.13Å; M39-L45 HydrophobicContact CE-CD1 3.82Å; M39-L45 HydrophobicContact SD-CD1 4.23Å; M39-L45 HydrophobicContact SD-CG 4.42Å; I43-L45 HydrophobicContact CG2-CD1 4.36Å; I43-L45 HydrophobicContact CG2-CD2 3.81Å; I43-L45 HydrophobicContact CG2-CG 3.8Å; L45-I49 HydrophobicContact CD2-CG2 4.18Å; L45-C50 WeakPolarHBondContact CB-SG 3.47Å; L45-C50 PolarHBondContact O-SG 3.42Å; L45-C50 VanDerWaalsContact O-SG 3.34Å; L45-L53 HydrophobicContact CD1-CD1 3.74Å; L45-S82 PolarHBondContact N-O 3.41Å; L45-T83 HydrophobicContact CB-CG2 4.46Å; L45-T83 WeakPolarHBondContact O-CA 3.34Å; L45-R84 PolarHBondContact O-N 3.11Å; L45-R84 VanDerWaalsContact O-N 3.14Å
46P94.9Very high91.7Very high42 Ų4251.2 Ų51.227%0.27327%0.27SS..  trans-74.7169.6174.534.6-37000111.3F44 E48 I49 C50F44-P46 HydrophobicContact CE1-CB 4.3Å; P46-E48 VanDerWaalsContact C-N 3.29Å; P46-E48 WeakPolarHBondContact CB-OE2 3.31Å; P46-E48 PolarHBondContact O-N 3.27Å; P46-I49 HydrophobicContact CG-CD1 4.12Å; P46-I49 HydrophobicContact CG-CG1 4.11Å; P46-I49 PolarHBondContact O-N 2.94Å; P46-C50 PolarHBondContact O-N 2.85Å
47S94.5Very high92.4Very high24 Ų2446.4 Ų46.417%0.16825%0.249CC..Hα-helixtrans-55.2-39.6-175.637.10000114I49 C50 D51 R84S47-I49 PolarHBondContact O-N 3.26Å; S47-C50 PolarHBondContact O-N 3.04Å; S47-D51 WeakPolarHBondContact O-CB 3.09Å; S47-D51 PolarHBondContact O-N 3.42Å; S47-R84 VanDerWaalsContact CA-O 3.22Å; S47-R84 WeakPolarHBondContact CA-O 3.23Å
48E91.3Very high92.6Very high135 Ų13546.4 Ų46.463%0.63125%0.249SC*.Hα-helixtrans-61.9-29.7-179.2-60.277.6-171.300112.2P46 K52P46-E48 VanDerWaalsContact C-N 3.29Å; P46-E48 WeakPolarHBondContact CB-OE2 3.31Å; P46-E48 PolarHBondContact O-N 3.27Å; E48-K52 WeakPolarHBondContact O-CB 3.31Å
49I94.3Very high92.5Very high55 Ų5549.5 Ų49.528%0.28226%0.259SS..Hα-helixtrans-90.4-45.7179-57.7-175.8000110.4L45 P46 S47 K52 L53L45-I49 HydrophobicContact CD2-CG2 4.18Å; P46-I49 HydrophobicContact CG-CD1 4.12Å; P46-I49 HydrophobicContact CG-CG1 4.11Å; P46-I49 PolarHBondContact O-N 2.94Å; S47-I49 PolarHBondContact O-N 3.26Å; I49-K52 PolarHBondContact O-N 3.2Å; I49-L53 HydrophobicContact CG2-CD1 3.85Å; I49-L53 HydrophobicContact CG2-CG 4.28Å; I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 WeakPolarHBondContact O-CG 3.18Å; I49-L53 PolarHBondContact O-N 3.33Å
50C95.6Very high92.4Very high0 Ų048.9 Ų48.90%026%0.256CS..Hα-helixtrans-62.9-46.8-179.9-71.80000112.4L45 P46 S47 K52 L53 V54 F77 R84 L85L45-C50 WeakPolarHBondContact CB-SG 3.47Å; L45-C50 PolarHBondContact O-SG 3.42Å; L45-C50 VanDerWaalsContact O-SG 3.34Å; P46-C50 PolarHBondContact O-N 2.85Å; S47-C50 PolarHBondContact O-N 3.04Å; C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 3.25Å; C50-L53 PolarHBondContact O-N 3.29Å; C50-V54 WeakPolarHBondContact O-CG2 3.31Å; C50-V54 PolarHBondContact O-N 3.36Å; C50-F77 HydrophobicContact CB-CD1 4.11Å; C50-F77 HydrophobicContact CB-CE1 3.8Å; C50-R84 WeakPolarHBondContact CB-O 3.33Å; C50-L85 HydrophobicContact CB-CD2 3.6Å; C50-L85 HydrophobicContact CB-CG 4.23Å
51D95.2Very high92.3Very high17 Ų1745.2 Ų45.29%0.09125%0.246CC..Hα-helixtrans-61-41.9179-66.3-7.4000109.7S47 N55 L85 T86 R87S47-D51 WeakPolarHBondContact O-CB 3.09Å; S47-D51 PolarHBondContact O-N 3.42Å; D51-N55 WeakPolarHBondContact O-CB 3.41Å; D51-N55 PolarHBondContact O-N 3.27Å; D51-N55 PolarHBondContact O-ND2 2.82Å; D51-L85 WeakPolarHBondContact OD1-CA 3.35Å; D51-T86 PolarHBondContact OD1-N 3.31Å; D51-T86 PolarHBondContact OD2-OG1 2.7Å; D51-R87 WeakPolarHBondContact CB-O 3.41Å; D51-R87 VanDerWaalsContact CG-N 3.32Å; D51-R87 VanDerWaalsContact CG-O 3.3Å; D51-R87 PolarHBondContact OD1-N 3.15Å; D51-R87 WeakPolarHBondContact OD2-CB 3.47Å; D51-R87 PolarHBondContact OD2-N 3.26Å
52K94.1Very high91.8Very high57 Ų5741.4 Ų41.425%0.24821%0.209CC..Hα-helixtrans-66-41.5175.6-172.6166.5178.9167.40112.5M13 T14 T17 E48 I49 C50 T56M13-K52 HydrophobicContact CG-CD 3.76Å; M13-K52 VanDerWaalsContact CG-NZ 3.3Å; T14-K52 PolarHBondContact OG1-NZ 3.02Å; T14-K52 VanDerWaalsContact OG1-NZ 3.13Å; T17-K52 HydrophobicContact CG2-CG 4.35Å; E48-K52 WeakPolarHBondContact O-CB 3.31Å; I49-K52 PolarHBondContact O-N 3.2Å; C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 3.25Å; K52-T56 VanDerWaalsContact O-CB 3.29Å; K52-T56 WeakPolarHBondContact O-CB 3.41Å; K52-T56 PolarHBondContact O-N 2.98Å; K52-T56 PolarHBondContact O-OG1 3Å; K52-T56 VanDerWaalsContact O-OG1 3.07Å
53L95.3Very high91Very high5 Ų537.1 Ų37.13%0.02619%0.187CC..Hα-helixtrans-60.9-47177.1-81.6167.2000111.8T17 L21 M28 L45 I49 C50 Y57 F77T17-L53 HydrophobicContact CG2-CD2 3.9Å; T17-L53 HydrophobicContact CG2-CG 4.46Å; L21-L53 HydrophobicContact CD2-CD2 3.76Å; L21-L53 HydrophobicContact CG-CD2 3.94Å; M28-L53 HydrophobicContact CE-CD1 4.18Å; M28-L53 HydrophobicContact CE-CD2 4.06Å; M28-L53 HydrophobicContact SD-CD1 4.25Å; L45-L53 HydrophobicContact CD1-CD1 3.74Å; I49-L53 HydrophobicContact CG2-CD1 3.85Å; I49-L53 HydrophobicContact CG2-CG 4.28Å; I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 WeakPolarHBondContact O-CG 3.18Å; I49-L53 PolarHBondContact O-N 3.33Å; C50-L53 PolarHBondContact O-N 3.29Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.24Å; L53-F77 HydrophobicContact CB-CZ 4.47Å
54V94.7Very high90.5Very high1 Ų136.2 Ų36.21%0.00618%0.183CC..Hα-helixtrans-65.4-46.3179.8173.50000110.8C50 Y57 M58 F73 F74 F77 L85 V88 L90C50-V54 WeakPolarHBondContact O-CG2 3.31Å; C50-V54 PolarHBondContact O-N 3.36Å; V54-Y57 WeakPolarHBondContact O-CB 3.42Å; V54-Y57 PolarHBondContact O-N 2.9Å; V54-M58 WeakPolarHBondContact O-CG 3.31Å; V54-M58 PolarHBondContact O-N 3.18Å; V54-F73 HydrophobicContact CG2-CE1 4.15Å; V54-F74 HydrophobicContact CG1-CE1 4Å; V54-F77 HydrophobicContact CG2-CD2 4.28Å; V54-F77 HydrophobicContact CG2-CE1 4.09Å; V54-F77 HydrophobicContact CG2-CE2 3.77Å; V54-F77 HydrophobicContact CG2-CZ 3.66Å; V54-L85 HydrophobicContact CG2-CD1 4.45Å; V54-L85 HydrophobicContact CG2-CD2 3.79Å; V54-V88 HydrophobicContact CG1-CG1 4.22Å; V54-L90 HydrophobicContact CG1-CD2 4.07Å
55N92.4Very high89.3Confident53 Ų5333.5 Ų33.528%0.28318%0.177SC..Hα-helixtrans-67.6-41.1-178.3-65.2-26.1000112D51 M58 E59 Q89D51-N55 WeakPolarHBondContact O-CB 3.41Å; D51-N55 PolarHBondContact O-N 3.27Å; D51-N55 PolarHBondContact O-ND2 2.82Å; N55-M58 PolarHBondContact O-N 2.84Å; N55-E59 PolarHBondContact O-N 3.33Å; N55-Q89 PolarHBondContact OD1-N 3.4Å
56T93.3Very high88.4Confident16 Ų1637.7 Ų37.710%0.09820%0.2CC..Hα-helixtrans-70.1-33.4174.5-60.10000112.1T17 V18 L21 K52 M58 E59 L60T17-T56 HydrophobicContact CG2-CG2 3.88Å; V18-T56 HydrophobicContact CG2-CG2 3.99Å; L21-T56 HydrophobicContact CD1-CG2 3.82Å; K52-T56 VanDerWaalsContact O-CB 3.29Å; K52-T56 WeakPolarHBondContact O-CB 3.41Å; K52-T56 PolarHBondContact O-N 2.98Å; K52-T56 PolarHBondContact O-OG1 3Å; K52-T56 VanDerWaalsContact O-OG1 3.07Å; T56-M58 VanDerWaalsContact C-N 3.34Å; T56-E59 PolarHBondContact O-N 3.37Å; T56-L60 HydrophobicContact CG2-CD1 4.32Å; T56-L60 HydrophobicContact CG2-CG 4.42Å; T56-L60 WeakPolarHBondContact O-CG 3.29Å; T56-L60 PolarHBondContact O-N 3.4Å
57Y94.1Very high88Confident0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-59.5-48171.5176.7-93.3000110.3L21 L53 V54 E59 L60 V61 F67 P69 E70 F73 F94L21-Y57 HydrophobicContact CD2-CD2 4.14Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.24Å; V54-Y57 WeakPolarHBondContact O-CB 3.42Å; V54-Y57 PolarHBondContact O-N 2.9Å; Y57-E59 VanDerWaalsContact C-N 3.34Å; Y57-E59 PolarHBondContact O-N 3.25Å; Y57-L60 PolarHBondContact O-N 2.82Å; Y57-V61 HydrophobicContact CD1-CG2 4.11Å; Y57-V61 HydrophobicContact CE1-CG2 3.75Å; Y57-V61 HydrophobicContact CE2-CG2 4.37Å; Y57-V61 WeakPolarHBondContact O-CG2 3.32Å; Y57-V61 PolarHBondContact O-N 3.08Å; Y57-F67 AromaticContact CD2-CE1 3.74Å; Y57-F67 HydrophobicContact CD2-CE1 3.74Å; Y57-F67 AromaticContact CD2-CZ 3.63Å; Y57-F67 HydrophobicContact CD2-CZ 3.63Å; Y57-F67 AromaticContact CE2-CE1 3.56Å; Y57-F67 HydrophobicContact CE2-CE1 3.56Å; Y57-F67 AromaticContact CE2-CZ 3.67Å; Y57-F67 HydrophobicContact CE2-CZ 3.67Å; Y57-P69 WeakPolarHBondContact OH-CA 3.27Å; Y57-P69 WeakPolarHBondContact OH-CB 3.48Å; Y57-E70 PolarHBondContact OH-N 3.42Å; Y57-E70 PolarHBondContact OH-O 3.03Å; Y57-F73 AromaticContact CD1-CD1 3.58Å; Y57-F73 HydrophobicContact CD1-CD1 3.58Å; Y57-F73 AromaticContact CD1-CE1 3.6Å; Y57-F73 HydrophobicContact CD1-CE1 3.6Å; Y57-F73 HydrophobicContact CD1-CG 4.23Å; Y57-F73 HydrophobicContact CD1-CZ 4.27Å; Y57-F73 HydrophobicContact CD2-CD1 4.07Å; Y57-F73 AromaticContact CD2-CD2 3.9Å; Y57-F73 HydrophobicContact CD2-CD2 3.9Å; Y57-F73 HydrophobicContact CD2-CE1 4Å; Y57-F73 AromaticContact CD2-CE2 3.84Å; Y57-F73 HydrophobicContact CD2-CE2 3.84Å; Y57-F73 HydrophobicContact CD2-CG 4.01Å; Y57-F73 AromaticContact CD2-CZ 3.89Å; Y57-F73 HydrophobicContact CD2-CZ 3.89Å; Y57-F73 HydrophobicContact CE1-CB 4.31Å; Y57-F73 AromaticContact CE1-CD1 3.68Å; Y57-F73 HydrophobicContact CE1-CD1 3.68Å; Y57-F73 HydrophobicContact CE1-CE1 4.19Å; Y57-F73 HydrophobicContact CE1-CG 4.04Å; Y57-F73 HydrophobicContact CE2-CB 4.18Å; Y57-F73 HydrophobicContact CE2-CD1 4.15Å; Y57-F73 AromaticContact CE2-CD2 3.91Å; Y57-F73 HydrophobicContact CE2-CD2 3.91Å; Y57-F73 HydrophobicContact CE2-CE2 4.33Å; Y57-F73 AromaticContact CE2-CG 3.81Å; Y57-F73 HydrophobicContact CE2-CG 3.81Å; Y57-F73 AromaticContact CG-CD1 3.78Å; Y57-F73 HydrophobicContact CG-CD1 3.78Å; Y57-F73 HydrophobicContact CG-CD2 4.37Å; Y57-F73 AromaticContact CG-CE1 3.48Å; Y57-F73 HydrophobicContact CG-CE1 3.48Å; Y57-F73 VanDerWaalsContact CG-CE1 3.48Å; Y57-F73 HydrophobicContact CG-CE2 4.12Å; Y57-F73 HydrophobicContact CG-CG 4.21Å; Y57-F73 AromaticContact CG-CZ 3.67Å; Y57-F73 HydrophobicContact CG-CZ 3.67Å; Y57-F73 AromaticContact CZ-CD1 3.96Å; Y57-F73 AromaticContact CZ-CG 3.82Å; Y57-F94 AromaticContact CE1-CE1 3.99Å; Y57-F94 HydrophobicContact CE1-CE1 3.99Å; Y57-F94 HydrophobicContact CE1-CZ 4.19Å
58M90.6Very high87.6Confident9 Ų943.5 Ų43.54%0.04422%0.221CC..Hα-helixtrans-61.8-42.2176.1-67.4-43.8-4600112V54 N55 T56 L60 V61 H62 F74 L90 F94V54-M58 WeakPolarHBondContact O-CG 3.31Å; V54-M58 PolarHBondContact O-N 3.18Å; N55-M58 PolarHBondContact O-N 2.84Å; T56-M58 VanDerWaalsContact C-N 3.34Å; M58-L60 VanDerWaalsContact C-N 3.35Å; M58-L60 PolarHBondContact O-N 3.12Å; M58-V61 PolarHBondContact O-N 3.17Å; M58-H62 WeakPolarHBondContact CE-CE1 3.46Å; M58-H62 PolarHBondContact O-N 3.39Å; M58-H62 PolarHBondContact O-ND1 2.9Å; M58-F74 HydrophobicContact SD-CZ 3.95Å; M58-L90 HydrophobicContact CG-CD2 4.12Å; M58-L90 HydrophobicContact SD-CD2 4.34Å; M58-F94 HydrophobicContact CE-CD1 3.69Å; M58-F94 HydrophobicContact CE-CE1 4.22Å; M58-F94 HydrophobicContact SD-CD1 4.32Å; M58-F94 HydrophobicContact SD-CE1 4.35Å
59E86.9Confident87.4Confident107 Ų10740 Ų4050%0.521%0.209SC..Hα-helixtrans-58.7-44.9176-171.7177.4-173.700112.2N55 T56 Y57 H62 T63N55-E59 PolarHBondContact O-N 3.33Å; T56-E59 PolarHBondContact O-N 3.37Å; Y57-E59 VanDerWaalsContact C-N 3.34Å; Y57-E59 PolarHBondContact O-N 3.25Å; E59-H62 PolarHBondContact O-N 2.57Å; E59-T63 HydrophobicContact CG-CG2 4.31Å; E59-T63 WeakPolarHBondContact O-CB 3.49Å; E59-T63 WeakPolarHBondContact O-CG2 3.42Å; E59-T63 PolarHBondContact O-N 3.24Å; E59-T63 PolarHBondContact O-OG1 3Å
60L88.5Confident87.1Confident16 Ų1639.7 Ų39.78%0.08421%0.207CC..Hα-helixtrans-64.3-44.2178.9-71.8173.1000112.3V18 L21 T56 Y57 M58 H62 T63 D64 F67V18-L60 HydrophobicContact CG1-CD1 4.41Å; L21-L60 HydrophobicContact CB-CD1 4.1Å; L21-L60 HydrophobicContact CD1-CD1 3.88Å; T56-L60 HydrophobicContact CG2-CD1 4.32Å; T56-L60 HydrophobicContact CG2-CG 4.42Å; T56-L60 WeakPolarHBondContact O-CG 3.29Å; T56-L60 PolarHBondContact O-N 3.4Å; Y57-L60 PolarHBondContact O-N 2.82Å; M58-L60 VanDerWaalsContact C-N 3.35Å; M58-L60 PolarHBondContact O-N 3.12Å; L60-H62 PolarHBondContact O-N 3.4Å; L60-T63 PolarHBondContact O-N 2.89Å; L60-D64 HydrophobicContact CD2-CB 4.37Å; L60-D64 PolarHBondContact O-N 2.88Å; L60-F67 HydrophobicContact CB-CB 4.32Å; L60-F67 HydrophobicContact CB-CD1 3.83Å; L60-F67 HydrophobicContact CB-CD2 4.06Å; L60-F67 HydrophobicContact CB-CE1 4.13Å; L60-F67 HydrophobicContact CB-CE2 4.36Å; L60-F67 HydrophobicContact CB-CG 3.79Å; L60-F67 HydrophobicContact CB-CZ 4.39Å; L60-F67 HydrophobicContact CD1-CD2 4.03Å; L60-F67 HydrophobicContact CD1-CE2 3.88Å; L60-F67 HydrophobicContact CD1-CZ 4.33Å
61V86.9Confident86.5Confident28 Ų2845.4 Ų45.417%0.1723%0.234CC..Hα-helixtrans-56.2-37.7177.1170.70000111.6Y57 M58 F67 P69 F94Y57-V61 HydrophobicContact CD1-CG2 4.11Å; Y57-V61 HydrophobicContact CE1-CG2 3.75Å; Y57-V61 HydrophobicContact CE2-CG2 4.37Å; Y57-V61 WeakPolarHBondContact O-CG2 3.32Å; Y57-V61 PolarHBondContact O-N 3.08Å; M58-V61 PolarHBondContact O-N 3.17Å; V61-F67 HydrophobicContact CG2-CD1 3.84Å; V61-F67 HydrophobicContact CG2-CE1 3.7Å; V61-P69 HydrophobicContact CG2-CB 4.05Å; V61-F94 HydrophobicContact CG1-CD1 4.34Å; V61-F94 HydrophobicContact CG1-CD2 3.96Å; V61-F94 HydrophobicContact CG1-CE1 4.48Å; V61-F94 HydrophobicContact CG1-CE2 4.12Å; V61-F94 HydrophobicContact CG1-CG 4.07Å; V61-F94 HydrophobicContact CG1-CZ 4.39Å; V61-F94 HydrophobicContact CG2-CZ 4.44Å
62H77Confident86.1Confident28 Ų2845.3 Ų45.313%0.1323%0.234CC..Hα-helixtrans-85.8-34.5-177.6-63.9108.8000113.6M58 E59 L60 E92 K413M58-H62 WeakPolarHBondContact CE-CE1 3.46Å; M58-H62 PolarHBondContact O-N 3.39Å; M58-H62 PolarHBondContact O-ND1 2.9Å; E59-H62 PolarHBondContact O-N 2.57Å; L60-H62 PolarHBondContact O-N 3.4Å; H62-E92 IonicContact CD2-OE2 3.87Å; H62-E92 PolarHBondContact CD2-OE2 3.37Å; H62-E92 IonicContact NE2-OE2 2.84Å; H62-E92 PolarHBondContact NE2-OE2 2.61Å; H62-K413 PolarHBondContact O-NZ 2.91Å
63T74Confident86.1Confident25 Ų2542.8 Ų42.815%0.15322%0.223CC..Hα-helixtrans-103.7-24-16862.40000114.9E59 L60 N452E59-T63 HydrophobicContact CG-CG2 4.31Å; E59-T63 WeakPolarHBondContact O-CB 3.49Å; E59-T63 WeakPolarHBondContact O-CG2 3.42Å; E59-T63 PolarHBondContact O-N 3.24Å; E59-T63 PolarHBondContact O-OG1 3Å; L60-T63 PolarHBondContact O-N 2.89Å; T63-N452 PolarHBondContact O-ND2 3.39Å; T63-N452 PolarHBondContact O-OD1 3.49Å
64D78.4Confident86.1Confident16 Ų1642.8 Ų42.89%0.08622%0.223CC..  trans-115.3104-178.1-176.46.8000111.5R22 L60 N66 F67R22-D64 IonicContact CZ-OD2 2.75Å; R22-D64 IonicContact NH1-OD2 3.71Å; R22-D64 PolarHBondContact NH1-OD2 3.23Å; R22-D64 IonicContact NH2-OD2 3.74Å; R22-D64 PolarHBondContact NH2-OD2 3.09Å; L60-D64 HydrophobicContact CD2-CB 4.37Å; L60-D64 PolarHBondContact O-N 2.88Å; D64-N66 PolarHBondContact O-N 3.36Å; D64-N66 VanDerWaalsContact O-N 3.16Å; D64-N66 WeakPolarHBondContact OD1-CB 3.4Å; D64-N66 PolarHBondContact OD1-N 3.12Å; D64-F67 HydrophobicContact CB-CB 4.02Å; D64-F67 VanDerWaalsContact O-CB 3.27Å; D64-F67 WeakPolarHBondContact O-CB 3.45Å; D64-F67 PolarHBondContact O-N 2.7Å
65S68.9Low85.9Confident53 Ų5346.2 Ų46.237%0.37124%0.239SC..THydrogen-bonded Turntrans-64.9-17.4179.8-43.10000113.9F67 E455 R485S65-F67 VanDerWaalsContact C-N 3.35Å; S65-E455 WeakPolarHBondContact CB-OE2 3.31Å; S65-E455 PolarHBondContact OG-OE2 3.48Å; S65-R485 PolarHBondContact OG-NH2 3.18Å
66N76Confident86Confident104 Ų10444.3 Ų44.356%0.55623%0.229SC*.THydrogen-bonded Turntrans-89.3-3.1174.4-62-45.1000112.6D64 E68D64-N66 PolarHBondContact O-N 3.36Å; D64-N66 VanDerWaalsContact O-N 3.16Å; D64-N66 WeakPolarHBondContact OD1-CB 3.4Å; D64-N66 PolarHBondContact OD1-N 3.12Å; N66-E68 PolarHBondContact O-N 3.25Å
67F86.1Confident86.1Confident18 Ų1843.7 Ų43.78%0.07923%0.225CC..  trans-83.6114177-175.1-101.7000109.7L21 R22 Y57 L60 V61 D64 S65 P69L21-F67 HydrophobicContact CB-CE2 4.24Å; L21-F67 HydrophobicContact CB-CZ 4.41Å; R22-F67 HydrophobicContact CG-CD2 4.26Å; R22-F67 HydrophobicContact CG-CE2 4.37Å; Y57-F67 AromaticContact CD2-CE1 3.74Å; Y57-F67 HydrophobicContact CD2-CE1 3.74Å; Y57-F67 AromaticContact CD2-CZ 3.63Å; Y57-F67 HydrophobicContact CD2-CZ 3.63Å; Y57-F67 AromaticContact CE2-CE1 3.56Å; Y57-F67 HydrophobicContact CE2-CE1 3.56Å; Y57-F67 AromaticContact CE2-CZ 3.67Å; Y57-F67 HydrophobicContact CE2-CZ 3.67Å; L60-F67 HydrophobicContact CB-CB 4.32Å; L60-F67 HydrophobicContact CB-CD1 3.83Å; L60-F67 HydrophobicContact CB-CD2 4.06Å; L60-F67 HydrophobicContact CB-CE1 4.13Å; L60-F67 HydrophobicContact CB-CE2 4.36Å; L60-F67 HydrophobicContact CB-CG 3.79Å; L60-F67 HydrophobicContact CB-CZ 4.39Å; L60-F67 HydrophobicContact CD1-CD2 4.03Å; L60-F67 HydrophobicContact CD1-CE2 3.88Å; L60-F67 HydrophobicContact CD1-CZ 4.33Å; V61-F67 HydrophobicContact CG2-CD1 3.84Å; V61-F67 HydrophobicContact CG2-CE1 3.7Å; D64-F67 HydrophobicContact CB-CB 4.02Å; D64-F67 VanDerWaalsContact O-CB 3.27Å; D64-F67 WeakPolarHBondContact O-CB 3.45Å; D64-F67 PolarHBondContact O-N 2.7Å; S65-F67 VanDerWaalsContact C-N 3.35Å; F67-P69 VanDerWaalsContact O-CD 3.28Å; F67-P69 WeakPolarHBondContact O-CD 3.35Å
68E85.9Confident86.1Confident170 Ų17046.3 Ų46.379%0.79424%0.243SC*.  trans-83.3114175-67.7-177172.600110N66N66-E68 PolarHBondContact O-N 3.25Å
69P88.1Confident86.2Confident61 Ų6148.1 Ų48.140%0.39625%0.253SS..  trans-67.3139.8176.925.2-31.2000111.3Y57 V61 F67 F94Y57-P69 WeakPolarHBondContact OH-CA 3.27Å; Y57-P69 WeakPolarHBondContact OH-CB 3.48Å; V61-P69 HydrophobicContact CG2-CB 4.05Å; F67-P69 VanDerWaalsContact O-CD 3.28Å; F67-P69 WeakPolarHBondContact O-CD 3.35Å; P69-F94 HydrophobicContact CB-CE2 3.6Å; P69-F94 HydrophobicContact CB-CZ 3.68Å; P69-F94 HydrophobicContact CG-CE2 3.93Å; P69-F94 HydrophobicContact CG-CZ 4.5Å
70E88Confident86.4Confident50 Ų5044.9 Ų44.923%0.23424%0.241CC..  trans-92.6115.4174.9-75.1-80-166.400109.6L24 R25 L37 Y57 S72 F73L24-E70 HydrophobicContact CD1-CB 4.49Å; L24-E70 HydrophobicContact CD1-CG 4.07Å; R25-E70 IonicContact CZ-OE1 3.11Å; R25-E70 IonicContact NE-OE1 3.62Å; R25-E70 PolarHBondContact NE-OE1 2.74Å; R25-E70 IonicContact NH2-OE1 3.6Å; R25-E70 PolarHBondContact NH2-OE1 3.27Å; R25-E70 VanDerWaalsContact NH2-OE1 3.08Å; R25-E70 IonicContact NH2-OE2 3.79Å; R25-E70 PolarHBondContact NH2-OE2 3.31Å; L37-E70 HydrophobicContact CD2-CG 4.46Å; Y57-E70 PolarHBondContact OH-N 3.42Å; Y57-E70 PolarHBondContact OH-O 3.03Å; E70-S72 PolarHBondContact O-N 3.41Å; E70-F73 HydrophobicContact CB-CB 4.34Å; E70-F73 VanDerWaalsContact O-CB 3.23Å; E70-F73 WeakPolarHBondContact O-CB 3.35Å; E70-F73 PolarHBondContact O-N 3.15Å
71E83Confident86.5Confident120 Ų12053.6 Ų53.656%0.56127%0.273SS*.THydrogen-bonded Turntrans-55.9-26.2-174.9-74.6-141.9115.900115.3R96 R98E71-R96 IonicContact OE1-CZ 3.96Å; E71-R96 IonicContact OE1-NH1 3.42Å; E71-R96 IonicContact OE1-NH2 3.11Å; E71-R96 PolarHBondContact OE1-NH2 3.03Å; E71-R98 PolarHBondContact O-NH2 3.14Å; E71-R98 IonicContact OE1-NH2 2.9Å; E71-R98 PolarHBondContact OE1-NH2 3.26Å; E71-R98 IonicContact OE2-NH2 2.77Å
72S86.7Confident86.7Confident14 Ų1454.2 Ų54.210%0.09828%0.279CS..THydrogen-bonded Turntrans-104.613.2-17858.20000113.3L37 E70 F74 Q75L37-S72 WeakPolarHBondContact CB-OG 3.47Å; L37-S72 PolarHBondContact N-OG 3.15Å; E70-S72 PolarHBondContact O-N 3.41Å; S72-F74 VanDerWaalsContact C-N 3.35Å; S72-F74 PolarHBondContact O-N 3.22Å; S72-Q75 VanDerWaalsContact O-CB 3.31Å; S72-Q75 WeakPolarHBondContact O-CB 3.47Å; S72-Q75 PolarHBondContact O-N 3.11Å
73F93.6Very high87.6Confident4 Ų453 Ų532%0.01827%0.273CS..G310 helixtrans-52.9-47-176178-105000113.2L21 L24 V54 Y57 E70 Q75 L76 F77L21-F73 HydrophobicContact CD2-CE2 3.73Å; L21-F73 HydrophobicContact CD2-CZ 3.98Å; L24-F73 HydrophobicContact CD1-CD2 3.99Å; L24-F73 HydrophobicContact CD1-CE2 4.32Å; V54-F73 HydrophobicContact CG2-CE1 4.15Å; Y57-F73 AromaticContact CD1-CD1 3.58Å; Y57-F73 HydrophobicContact CD1-CD1 3.58Å; Y57-F73 AromaticContact CD1-CE1 3.6Å; Y57-F73 HydrophobicContact CD1-CE1 3.6Å; Y57-F73 HydrophobicContact CD1-CG 4.23Å; Y57-F73 HydrophobicContact CD1-CZ 4.27Å; Y57-F73 HydrophobicContact CD2-CD1 4.07Å; Y57-F73 AromaticContact CD2-CD2 3.9Å; Y57-F73 HydrophobicContact CD2-CD2 3.9Å; Y57-F73 HydrophobicContact CD2-CE1 4Å; Y57-F73 AromaticContact CD2-CE2 3.84Å; Y57-F73 HydrophobicContact CD2-CE2 3.84Å; Y57-F73 HydrophobicContact CD2-CG 4.01Å; Y57-F73 AromaticContact CD2-CZ 3.89Å; Y57-F73 HydrophobicContact CD2-CZ 3.89Å; Y57-F73 HydrophobicContact CE1-CB 4.31Å; Y57-F73 AromaticContact CE1-CD1 3.68Å; Y57-F73 HydrophobicContact CE1-CD1 3.68Å; Y57-F73 HydrophobicContact CE1-CE1 4.19Å; Y57-F73 HydrophobicContact CE1-CG 4.04Å; Y57-F73 HydrophobicContact CE2-CB 4.18Å; Y57-F73 HydrophobicContact CE2-CD1 4.15Å; Y57-F73 AromaticContact CE2-CD2 3.91Å; Y57-F73 HydrophobicContact CE2-CD2 3.91Å; Y57-F73 HydrophobicContact CE2-CE2 4.33Å; Y57-F73 AromaticContact CE2-CG 3.81Å; Y57-F73 HydrophobicContact CE2-CG 3.81Å; Y57-F73 AromaticContact CG-CD1 3.78Å; Y57-F73 HydrophobicContact CG-CD1 3.78Å; Y57-F73 HydrophobicContact CG-CD2 4.37Å; Y57-F73 AromaticContact CG-CE1 3.48Å; Y57-F73 HydrophobicContact CG-CE1 3.48Å; Y57-F73 VanDerWaalsContact CG-CE1 3.48Å; Y57-F73 HydrophobicContact CG-CE2 4.12Å; Y57-F73 HydrophobicContact CG-CG 4.21Å; Y57-F73 AromaticContact CG-CZ 3.67Å; Y57-F73 HydrophobicContact CG-CZ 3.67Å; Y57-F73 AromaticContact CZ-CD1 3.96Å; Y57-F73 AromaticContact CZ-CG 3.82Å; E70-F73 HydrophobicContact CB-CB 4.34Å; E70-F73 VanDerWaalsContact O-CB 3.23Å; E70-F73 WeakPolarHBondContact O-CB 3.35Å; E70-F73 PolarHBondContact O-N 3.15Å; F73-Q75 PolarHBondContact O-N 2.85Å; F73-L76 HydrophobicContact CD2-CD1 4.06Å; F73-L76 HydrophobicContact CE2-CD1 4.43Å; F73-L76 WeakPolarHBondContact O-CB 3.45Å; F73-L76 WeakPolarHBondContact O-CG 3.35Å; F73-L76 PolarHBondContact O-N 2.82Å; F73-L76 VanDerWaalsContact O-N 3.15Å; F73-F77 HydrophobicContact CD1-CE2 4.28Å; F73-F77 AromaticContact CE1-CE2 3.78Å; F73-F77 HydrophobicContact CE1-CE2 3.78Å; F73-F77 HydrophobicContact CE1-CZ 4.37Å; F73-F77 HydrophobicContact CE2-CE2 4.23Å; F73-F77 AromaticContact CZ-CE2 3.75Å; F73-F77 HydrophobicContact CZ-CE2 3.75Å; F73-F77 AromaticContact CZ-CZ 3.99Å; F73-F77 HydrophobicContact CZ-CZ 3.99Å
74F93.9Very high88.7Confident5 Ų558.3 Ų58.32%0.02229%0.29CS..G310 helixtrans-67.6-22.5-179-65.6-78.5000113.8V54 M58 S72 L76 F77 L90 F94 D99 A102V54-F74 HydrophobicContact CG1-CE1 4Å; M58-F74 HydrophobicContact SD-CZ 3.95Å; S72-F74 VanDerWaalsContact C-N 3.35Å; S72-F74 PolarHBondContact O-N 3.22Å; F74-L76 PolarHBondContact O-N 2.89Å; F74-F77 PolarHBondContact O-N 3.24Å; F74-F77 VanDerWaalsContact O-N 3.09Å; F74-L90 HydrophobicContact CE1-CD2 3.67Å; F74-L90 HydrophobicContact CZ-CD2 3.8Å; F74-F94 HydrophobicContact CE2-CE1 4.34Å; F74-D99 HydrophobicContact CB-CB 4.18Å; F74-D99 HydrophobicContact CD2-CB 3.48Å; F74-D99 VanDerWaalsContact CD2-CB 3.48Å; F74-D99 VanDerWaalsContact CD2-CG 3.46Å; F74-D99 WeakPolarHBondContact CD2-OD1 3.05Å; F74-D99 HydrophobicContact CE2-CB 3.96Å; F74-D99 HydrophobicContact CG-CB 3.84Å; F74-A102 HydrophobicContact CB-CB 4.13Å
75Q92.5Very high89.5Confident74 Ų7457.7 Ų57.735%0.34629%0.287SS..G310 helixtrans-65.7-23.6176.1-61.3177.612.700112.2S72 F73 F77 S78 A102S72-Q75 VanDerWaalsContact O-CB 3.31Å; S72-Q75 WeakPolarHBondContact O-CB 3.47Å; S72-Q75 PolarHBondContact O-N 3.11Å; F73-Q75 PolarHBondContact O-N 2.85Å; Q75-F77 PolarHBondContact O-N 3.04Å; Q75-F77 VanDerWaalsContact O-N 3.15Å; Q75-S78 WeakPolarHBondContact O-CB 3.37Å; Q75-S78 PolarHBondContact O-N 2.86Å; Q75-S78 PolarHBondContact O-OG 3.05Å; Q75-A102 HydrophobicContact CG-CB 4.32Å
76L93.7Very high90.9Very high12 Ų1256.6 Ų56.66%0.06328%0.278CS..G310 helixtrans-59.5-22.9174-60.3179.6000112.5L37 M39 F73 F74 T83L37-L76 HydrophobicContact CB-CD2 4.38Å; L37-L76 HydrophobicContact CD2-CD1 4Å; L37-L76 HydrophobicContact CD2-CD2 4.34Å; L37-L76 HydrophobicContact CG-CD2 4.14Å; M39-L76 HydrophobicContact CB-CD2 4.46Å; M39-L76 HydrophobicContact CE-CB 4.09Å; F73-L76 HydrophobicContact CD2-CD1 4.06Å; F73-L76 HydrophobicContact CE2-CD1 4.43Å; F73-L76 WeakPolarHBondContact O-CB 3.45Å; F73-L76 WeakPolarHBondContact O-CG 3.35Å; F73-L76 PolarHBondContact O-N 2.82Å; F73-L76 VanDerWaalsContact O-N 3.15Å; F74-L76 PolarHBondContact O-N 2.89Å; L76-T83 WeakPolarHBondContact O-CG2 3.39Å
77F95Very high91.8Very high3 Ų357.9 Ų57.91%0.01328%0.275CS..G310 helixtrans-103.519-177.4-53-89.7000113.4C50 L53 V54 F73 F74 Q75 T83 L85 I103 Q106C50-F77 HydrophobicContact CB-CD1 4.11Å; C50-F77 HydrophobicContact CB-CE1 3.8Å; L53-F77 HydrophobicContact CB-CZ 4.47Å; V54-F77 HydrophobicContact CG2-CD2 4.28Å; V54-F77 HydrophobicContact CG2-CE1 4.09Å; V54-F77 HydrophobicContact CG2-CE2 3.77Å; V54-F77 HydrophobicContact CG2-CZ 3.66Å; F73-F77 HydrophobicContact CD1-CE2 4.28Å; F73-F77 AromaticContact CE1-CE2 3.78Å; F73-F77 HydrophobicContact CE1-CE2 3.78Å; F73-F77 HydrophobicContact CE1-CZ 4.37Å; F73-F77 HydrophobicContact CE2-CE2 4.23Å; F73-F77 AromaticContact CZ-CE2 3.75Å; F73-F77 HydrophobicContact CZ-CE2 3.75Å; F73-F77 AromaticContact CZ-CZ 3.99Å; F73-F77 HydrophobicContact CZ-CZ 3.99Å; F74-F77 PolarHBondContact O-N 3.24Å; F74-F77 VanDerWaalsContact O-N 3.09Å; Q75-F77 PolarHBondContact O-N 3.04Å; Q75-F77 VanDerWaalsContact O-N 3.15Å; F77-T83 VanDerWaalsContact CA-OG1 3.31Å; F77-T83 WeakPolarHBondContact CA-OG1 3.21Å; F77-T83 HydrophobicContact CD1-CG2 4.18Å; F77-L85 HydrophobicContact CB-CD1 3.47Å; F77-L85 VanDerWaalsContact CB-CD1 3.47Å; F77-L85 HydrophobicContact CB-CG 4.19Å; F77-L85 HydrophobicContact CD1-CD1 3.88Å; F77-L85 HydrophobicContact CD1-CD2 4.05Å; F77-L85 HydrophobicContact CD1-CG 3.87Å; F77-L85 HydrophobicContact CD2-CD1 4.45Å; F77-L85 HydrophobicContact CE1-CD2 4.32Å; F77-L85 HydrophobicContact CG-CD1 3.69Å; F77-L85 HydrophobicContact CG-CG 4.22Å; F77-I103 HydrophobicContact CB-CG2 3.97Å; F77-Q106 PolarHBondContact O-NE2 2.98Å
78S93.4Very high92.3Very high55 Ų5557.2 Ų57.239%0.38527%0.273SS..  trans-81.4-18.4-175.561.70000115.2Q75 P80 A102Q75-S78 WeakPolarHBondContact O-CB 3.37Å; Q75-S78 PolarHBondContact O-N 2.86Å; Q75-S78 PolarHBondContact O-OG 3.05Å; S78-P80 WeakPolarHBondContact O-CD 3.44Å; S78-A102 VanDerWaalsContact CA-O 3.31Å; S78-A102 WeakPolarHBondContact CA-O 3.44Å; S78-A102 WeakPolarHBondContact CB-O 3.45Å
79D92.8Very high92.7Very high47 Ų4752.1 Ų52.125%0.25125%0.249SC..  trans-107.2106.2176.3-168.5-10.3000111.4R81 S82 T83D79-R81 PolarHBondContact O-N 2.88Å; D79-R81 WeakPolarHBondContact OD1-CB 3.4Å; D79-R81 WeakPolarHBondContact OD1-CG 3.49Å; D79-R81 IonicContact OD1-CZ 3.83Å; D79-R81 PolarHBondContact OD1-N 2.71Å; D79-R81 IonicContact OD1-NE 3.01Å; D79-R81 PolarHBondContact OD1-NE 3.01Å; D79-R81 IonicContact OD1-NH2 3.74Å; D79-R81 IonicContact OD2-CZ 3.44Å; D79-R81 IonicContact OD2-NE 3.29Å; D79-R81 PolarHBondContact OD2-NE 3.19Å; D79-R81 IonicContact OD2-NH2 2.76Å; D79-R81 PolarHBondContact OD2-NH2 2.85Å; D79-S82 PolarHBondContact O-N 3.07Å; D79-S82 VanDerWaalsContact O-N 3.09Å; D79-T83 PolarHBondContact O-N 3.34Å; D79-T83 PolarHBondContact O-OG1 3.38Å; D79-T83 VanDerWaalsContact O-OG1 3.12Å
80P92.6Very high92.9Very high40 Ų4049.2 Ų49.226%0.2623%0.23SC..THydrogen-bonded Turntrans-59-17.2177.5-25.535.4000115S78 T83 K105S78-P80 WeakPolarHBondContact O-CD 3.44Å; P80-T83 CarbonylContact C-O 3.59Å; P80-T83 WeakPolarHBondContact CA-O 3.4Å; P80-K105 HydrophobicContact CG-CB 3.8Å; P80-K105 WeakPolarHBondContact CG-O 3.43Å
81R90.8Very high93Very high198 Ų19849.4 Ų49.475%0.74723%0.229SC*.THydrogen-bonded Turntrans-78.9-26.9178.9-61173.2-64171.66.9112.5F44 D79F44-R81 WeakPolarHBondContact CD2-O 3.49Å; F44-R81 WeakPolarHBondContact CE2-O 3.21Å; D79-R81 PolarHBondContact O-N 2.88Å; D79-R81 WeakPolarHBondContact OD1-CB 3.4Å; D79-R81 WeakPolarHBondContact OD1-CG 3.49Å; D79-R81 IonicContact OD1-CZ 3.83Å; D79-R81 PolarHBondContact OD1-N 2.71Å; D79-R81 IonicContact OD1-NE 3.01Å; D79-R81 PolarHBondContact OD1-NE 3.01Å; D79-R81 IonicContact OD1-NH2 3.74Å; D79-R81 IonicContact OD2-CZ 3.44Å; D79-R81 IonicContact OD2-NE 3.29Å; D79-R81 PolarHBondContact OD2-NE 3.19Å; D79-R81 IonicContact OD2-NH2 2.76Å; D79-R81 PolarHBondContact OD2-NH2 2.85Å
82S91.3Very high93.2Very high42 Ų4245 Ų4529%0.29421%0.208SC..THydrogen-bonded Turntrans-101.4-35.3-179.9-55.50000111.8F44 L45 D79F44-S82 CarbonylContact C-O 3.46Å; F44-S82 VanDerWaalsContact CA-O 3.31Å; F44-S82 WeakPolarHBondContact CA-O 3.36Å; F44-S82 VanDerWaalsContact CD2-O 3.31Å; F44-S82 WeakPolarHBondContact CD2-O 3.27Å; L45-S82 PolarHBondContact N-O 3.41Å; D79-S82 PolarHBondContact O-N 3.07Å; D79-S82 VanDerWaalsContact O-N 3.09Å
83T95.3Very high93Very high1 Ų148.3 Ų48.31%0.00622%0.224CC..BIsolated β-bridgetrans-134137.5-177.853.70000110.1M39 L45 L76 F77 D79 P80 Q106M39-T83 HydrophobicContact CE-CG2 3.4Å; M39-T83 HydrophobicContact SD-CG2 3.35Å; M39-T83 WeakPolarHBondContact SD-CG2 3.46Å; L45-T83 HydrophobicContact CB-CG2 4.46Å; L45-T83 WeakPolarHBondContact O-CA 3.34Å; L76-T83 WeakPolarHBondContact O-CG2 3.39Å; F77-T83 VanDerWaalsContact CA-OG1 3.31Å; F77-T83 WeakPolarHBondContact CA-OG1 3.21Å; F77-T83 HydrophobicContact CD1-CG2 4.18Å; D79-T83 PolarHBondContact O-N 3.34Å; D79-T83 PolarHBondContact O-OG1 3.38Å; D79-T83 VanDerWaalsContact O-OG1 3.12Å; P80-T83 CarbonylContact C-O 3.59Å; P80-T83 WeakPolarHBondContact CA-O 3.4Å; T83-Q106 PolarHBondContact O-NE2 2.83Å; T83-Q106 PolarHBondContact O-OE1 3.02Å
84R95.9Very high92.6Very high138 Ų13851 Ų5152%0.52124%0.236SC..  trans-116.9123.8175.5-66.4-174175.9-129.3-0.4110.2L45 S47 C50L45-R84 PolarHBondContact O-N 3.11Å; L45-R84 VanDerWaalsContact O-N 3.14Å; S47-R84 VanDerWaalsContact CA-O 3.22Å; S47-R84 WeakPolarHBondContact CA-O 3.23Å; C50-R84 WeakPolarHBondContact CB-O 3.33Å
85L96.6Very high92.4Very high2 Ų250.8 Ų50.81%0.0124%0.235CC..  trans-109136.9168.8-73.7170.8000109.5C50 D51 V54 F77 V88 I103 Q106 L108C50-L85 HydrophobicContact CB-CD2 3.6Å; C50-L85 HydrophobicContact CB-CG 4.23Å; D51-L85 WeakPolarHBondContact OD1-CA 3.35Å; V54-L85 HydrophobicContact CG2-CD1 4.45Å; V54-L85 HydrophobicContact CG2-CD2 3.79Å; F77-L85 HydrophobicContact CB-CD1 3.47Å; F77-L85 VanDerWaalsContact CB-CD1 3.47Å; F77-L85 HydrophobicContact CB-CG 4.19Å; F77-L85 HydrophobicContact CD1-CD1 3.88Å; F77-L85 HydrophobicContact CD1-CD2 4.05Å; F77-L85 HydrophobicContact CD1-CG 3.87Å; F77-L85 HydrophobicContact CD2-CD1 4.45Å; F77-L85 HydrophobicContact CE1-CD2 4.32Å; F77-L85 HydrophobicContact CG-CD1 3.69Å; F77-L85 HydrophobicContact CG-CG 4.22Å; L85-V88 HydrophobicContact CB-CG2 4.14Å; L85-V88 HydrophobicContact CD1-CG2 4.17Å; L85-V88 HydrophobicContact CD2-CG2 4.11Å; L85-V88 HydrophobicContact CG-CG2 4.39Å; L85-I103 HydrophobicContact CD1-CB 4.31Å; L85-I103 HydrophobicContact CD1-CG2 3.78Å; L85-Q106 HydrophobicContact CB-CB 4.24Å; L85-Q106 HydrophobicContact CB-CG 4.06Å; L85-Q106 HydrophobicContact CD1-CG 4.38Å; L85-L108 HydrophobicContact CB-CD2 3.79Å
86T96.9Very high92.4Very high31 Ų3150.1 Ų50.119%0.1923%0.23CC..  trans-127.4-31.8175.660.70000113.2D51 I109 E110D51-T86 PolarHBondContact OD1-N 3.31Å; D51-T86 PolarHBondContact OD2-OG1 2.7Å; T86-I109 HydrophobicContact CG2-CD1 4.43Å; T86-I109 PolarHBondContact O-N 2.83Å; T86-E110 PolarHBondContact O-N 2.91Å; T86-E110 VanDerWaalsContact O-N 3.07Å
87R96.9Very high92.5Very high130 Ų13050.2 Ų50.249%0.49123%0.23SC..EExtended strand (participates in β ladder)trans-134.5115.7-178.1-59-176.3177.9165.8-0109.8D51 E110D51-R87 WeakPolarHBondContact CB-O 3.41Å; D51-R87 VanDerWaalsContact CG-N 3.32Å; D51-R87 VanDerWaalsContact CG-O 3.3Å; D51-R87 PolarHBondContact OD1-N 3.15Å; D51-R87 WeakPolarHBondContact OD2-CB 3.47Å; D51-R87 PolarHBondContact OD2-N 3.26Å; R87-E110 WeakPolarHBondContact CA-O 3.34Å; R87-E110 HydrophobicContact CB-CB 4.31Å; R87-E110 HydrophobicContact CG-CB 4.07Å; R87-E110 HydrophobicContact CG-CG 4.1Å; R87-E110 IonicContact CZ-OE1 3.27Å; R87-E110 IonicContact NE-OE1 2.82Å; R87-E110 PolarHBondContact NE-OE1 2.99Å; R87-E110 IonicContact NE-OE2 3.64Å; R87-E110 IonicContact NH2-OE1 3.73Å
88V95.3Very high92.4Very high4 Ų454 Ų542%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-128.1125-173.2174.30000109.5V54 L85 L90 I103 L108 E110 L111 H112V54-V88 HydrophobicContact CG1-CG1 4.22Å; L85-V88 HydrophobicContact CB-CG2 4.14Å; L85-V88 HydrophobicContact CD1-CG2 4.17Å; L85-V88 HydrophobicContact CD2-CG2 4.11Å; L85-V88 HydrophobicContact CG-CG2 4.39Å; V88-L90 HydrophobicContact CG1-CD1 4.04Å; V88-L90 HydrophobicContact CG1-CD2 3.67Å; V88-L90 HydrophobicContact CG1-CG 3.65Å; V88-I103 HydrophobicContact CG1-CD1 4.36Å; V88-I103 HydrophobicContact CG2-CD1 4.47Å; V88-L108 HydrophobicContact CG2-CD2 3.87Å; V88-E110 PolarHBondContact N-O 3Å; V88-L111 HydrophobicContact CB-CD1 4.15Å; V88-L111 HydrophobicContact CG1-CD1 4.1Å; V88-L111 WeakPolarHBondContact O-CA 3.32Å; V88-H112 PolarHBondContact O-N 3.28Å
89Q93.9Very high92.4Very high64 Ų6451.8 Ų51.830%0.29923%0.229SC..EExtended strand (participates in β ladder)trans-117.2115.5173.4-176.4167.428.900109.9N55 R91 H112N55-Q89 PolarHBondContact OD1-N 3.4Å; Q89-R91 HydrophobicContact CG-CG 4.49Å; Q89-H112 WeakPolarHBondContact CA-O 3.42Å; Q89-H112 HydrophobicContact CB-CB 4.39Å; Q89-H112 HydrophobicContact CG-CB 4.16Å
90L93.3Very high92.5Very high0 Ų049.6 Ų49.60%022%0.217CC..EExtended strand (participates in β ladder)trans-120.1141.6178.5-47.5177.4000108.4V54 M58 F74 V88 V95 H112 L113 T114V54-L90 HydrophobicContact CG1-CD2 4.07Å; M58-L90 HydrophobicContact CG-CD2 4.12Å; M58-L90 HydrophobicContact SD-CD2 4.34Å; F74-L90 HydrophobicContact CE1-CD2 3.67Å; F74-L90 HydrophobicContact CZ-CD2 3.8Å; V88-L90 HydrophobicContact CG1-CD1 4.04Å; V88-L90 HydrophobicContact CG1-CD2 3.67Å; V88-L90 HydrophobicContact CG1-CG 3.65Å; L90-V95 HydrophobicContact CB-CG1 4.18Å; L90-V95 HydrophobicContact CB-CG2 3.73Å; L90-V95 HydrophobicContact CD1-CG1 3.74Å; L90-H112 PolarHBondContact N-O 3.05Å; L90-H112 VanDerWaalsContact O-O 3.11Å; L90-L113 HydrophobicContact CB-CD2 3.82Å; L90-L113 HydrophobicContact CD1-CD2 3.83Å; L90-L113 HydrophobicContact CG-CD2 4.1Å; L90-L113 WeakPolarHBondContact O-CA 3.41Å; L90-T114 PolarHBondContact O-N 3.38Å; L90-T114 VanDerWaalsContact O-N 3.11Å
91R89.9Confident92.7Very high54 Ų5451 Ų5120%0.20422%0.22CC..EExtended strand (participates in β ladder)trans-138.2153.1-177.9-57.4-166.4175.4-143.4-3.3110.8Q89 V95 T114 E373Q89-R91 HydrophobicContact CG-CG 4.49Å; R91-V95 WeakPolarHBondContact O-CG2 3.48Å; R91-T114 CarbonylContact C-O 3.47Å; R91-T114 WeakPolarHBondContact CA-O 3.39Å; R91-E373 IonicContact CZ-OE1 2.96Å; R91-E373 IonicContact NH2-OE1 3.82Å; R91-E373 PolarHBondContact NH2-OE1 2.99Å
92E86.1Confident92.9Very high27 Ų2742.5 Ų42.513%0.12619%0.192CC..SBendtrans63.5-179.9169.7-55.8-179.2166.500114.5H62 F94 V95 T114 Y115 Y414H62-E92 IonicContact CD2-OE2 3.87Å; H62-E92 PolarHBondContact CD2-OE2 3.37Å; H62-E92 IonicContact NE2-OE2 2.84Å; H62-E92 PolarHBondContact NE2-OE2 2.61Å; E92-F94 PolarHBondContact O-N 2.82Å; E92-V95 PolarHBondContact O-N 3.43Å; E92-T114 PolarHBondContact N-O 2.94Å; E92-Y115 CarbonylContact C-O 3.59Å; E92-Y115 VanDerWaalsContact CA-O 3.24Å; E92-Y115 WeakPolarHBondContact CA-O 3.17Å; E92-Y414 WeakPolarHBondContact OE2-CE2 3.4Å
93D82.4Confident93.1Very high83 Ų8340.5 Ų40.544%0.44418%0.178SC..THydrogen-bonded Turntrans-77-2.6-167.9-68.9-31.4000114.5V95 N117 S118D93-V95 PolarHBondContact O-N 3.06Å; D93-N117 VanDerWaalsContact OD1-CA 3.23Å; D93-N117 WeakPolarHBondContact OD1-CA 3.12Å; D93-N117 WeakPolarHBondContact OD1-CB 3.37Å; D93-N117 PolarHBondContact OD1-N 3.04Å; D93-S118 WeakPolarHBondContact CB-OG 3.29Å; D93-S118 WeakPolarHBondContact O-CB 3.39Å; D93-S118 PolarHBondContact O-OG 2.87Å; D93-S118 PolarHBondContact OD1-N 3.38Å
94F85.8Confident93.1Very high61 Ų6147.2 Ų47.227%0.26820%0.203SC..THydrogen-bonded Turntrans-60.6-29.5170.9176-96.3000112.4Y57 M58 V61 P69 F74 E92Y57-F94 AromaticContact CE1-CE1 3.99Å; Y57-F94 HydrophobicContact CE1-CE1 3.99Å; Y57-F94 HydrophobicContact CE1-CZ 4.19Å; M58-F94 HydrophobicContact CE-CD1 3.69Å; M58-F94 HydrophobicContact CE-CE1 4.22Å; M58-F94 HydrophobicContact SD-CD1 4.32Å; M58-F94 HydrophobicContact SD-CE1 4.35Å; V61-F94 HydrophobicContact CG1-CD1 4.34Å; V61-F94 HydrophobicContact CG1-CD2 3.96Å; V61-F94 HydrophobicContact CG1-CE1 4.48Å; V61-F94 HydrophobicContact CG1-CE2 4.12Å; V61-F94 HydrophobicContact CG1-CG 4.07Å; V61-F94 HydrophobicContact CG1-CZ 4.39Å; V61-F94 HydrophobicContact CG2-CZ 4.44Å; P69-F94 HydrophobicContact CB-CE2 3.6Å; P69-F94 HydrophobicContact CB-CZ 3.68Å; P69-F94 HydrophobicContact CG-CE2 3.93Å; P69-F94 HydrophobicContact CG-CZ 4.5Å; F74-F94 HydrophobicContact CE2-CE1 4.34Å; E92-F94 PolarHBondContact O-N 2.82Å
95V90.8Very high93.2Very high0 Ų047 Ų470%021%0.206CC..  trans-83.4121.5-173.4-170.40000110.3L90 R91 E92 D93 D99 S118 L119L90-V95 HydrophobicContact CB-CG1 4.18Å; L90-V95 HydrophobicContact CB-CG2 3.73Å; L90-V95 HydrophobicContact CD1-CG1 3.74Å; R91-V95 WeakPolarHBondContact O-CG2 3.48Å; E92-V95 PolarHBondContact O-N 3.43Å; D93-V95 PolarHBondContact O-N 3.06Å; V95-D99 HydrophobicContact CG1-CB 4.44Å; V95-S118 VanDerWaalsContact O-CB 3.3Å; V95-S118 WeakPolarHBondContact O-CB 3.44Å; V95-L119 HydrophobicContact CG1-CD2 4.16Å; V95-L119 WeakPolarHBondContact O-CD2 3.37Å
96R92.8Very high93.1Very high60 Ų6047.2 Ų47.223%0.22621%0.207CC..  trans-107161.7-179.2-68-176-89.9-168.3-10.7111.9E71 R98 D99 L119 E163E71-R96 IonicContact OE1-CZ 3.96Å; E71-R96 IonicContact OE1-NH1 3.42Å; E71-R96 IonicContact OE1-NH2 3.11Å; E71-R96 PolarHBondContact OE1-NH2 3.03Å; R96-R98 HydrophobicContact CB-CG 4.06Å; R96-R98 PolarHBondContact O-N 2.96Å; R96-R98 VanDerWaalsContact O-N 3.12Å; R96-D99 PolarHBondContact N-OD2 3.1Å; R96-D99 WeakPolarHBondContact O-CB 3.34Å; R96-D99 PolarHBondContact O-N 3.31Å; R96-L119 VanDerWaalsContact C-CD2 3.42Å; R96-E163 IonicContact CZ-OE2 3.89Å; R96-E163 IonicContact NH1-OE2 2.74Å; R96-E163 PolarHBondContact NH1-OE2 2.89Å
97D94.1Very high93.1Very high14 Ų1450.8 Ų50.88%0.07523%0.225CC..Hα-helixtrans-52.1-38.8177.4-74.3-49.6000112.5D99 L100 E101 S120 R122 S123D97-D99 PolarHBondContact O-N 3.06Å; D97-L100 PolarHBondContact O-N 3.09Å; D97-E101 WeakPolarHBondContact O-CG 3.21Å; D97-E101 PolarHBondContact O-N 3.22Å; D97-S120 PolarHBondContact OD1-N 2.86Å; D97-S120 PolarHBondContact OD1-OG 3Å; D97-S120 WeakPolarHBondContact OD2-CB 3.13Å; D97-S120 PolarHBondContact OD2-N 2.83Å; D97-S120 PolarHBondContact OD2-OG 3.44Å; D97-R122 HydrophobicContact CB-CB 4.2Å; D97-S123 WeakPolarHBondContact OD1-CB 3.49Å; D97-S123 PolarHBondContact OD1-N 3.01Å; D97-S123 PolarHBondContact OD1-OG 3.44Å
98R93.4Very high93.1Very high82 Ų8244.6 Ų44.631%0.30920%0.202SC..Hα-helixtrans-61.4-28.6179.672.9-167.9-165177.812.9113.3E71 R96 A102E71-R98 PolarHBondContact O-NH2 3.14Å; E71-R98 IonicContact OE1-NH2 2.9Å; E71-R98 PolarHBondContact OE1-NH2 3.26Å; E71-R98 IonicContact OE2-NH2 2.77Å; R96-R98 HydrophobicContact CB-CG 4.06Å; R96-R98 PolarHBondContact O-N 2.96Å; R96-R98 VanDerWaalsContact O-N 3.12Å; R98-A102 WeakPolarHBondContact O-CB 3.49Å; R98-A102 PolarHBondContact O-N 3.19Å
99D94.1Very high93.2Very high10 Ų1047.6 Ų47.65%0.05322%0.217CC..Hα-helixtrans-74.5-41.4-178-58.9-39000110.4F74 V95 R96 D97 A102F74-D99 HydrophobicContact CB-CB 4.18Å; F74-D99 HydrophobicContact CD2-CB 3.48Å; F74-D99 VanDerWaalsContact CD2-CB 3.48Å; F74-D99 VanDerWaalsContact CD2-CG 3.46Å; F74-D99 WeakPolarHBondContact CD2-OD1 3.05Å; F74-D99 HydrophobicContact CE2-CB 3.96Å; F74-D99 HydrophobicContact CG-CB 3.84Å; V95-D99 HydrophobicContact CG1-CB 4.44Å; R96-D99 PolarHBondContact N-OD2 3.1Å; R96-D99 WeakPolarHBondContact O-CB 3.34Å; R96-D99 PolarHBondContact O-N 3.31Å; D97-D99 PolarHBondContact O-N 3.06Å; D99-A102 WeakPolarHBondContact O-CB 3.45Å; D99-A102 PolarHBondContact O-N 2.84Å
100L95Very high93.4Very high0 Ų047.5 Ų47.50%022%0.216CC..Hα-helixtrans-70.2-40.1174.3-158.369.9000111.2D97 A102 I103 R104 L111 L113 T126 L127D97-L100 PolarHBondContact O-N 3.09Å; L100-A102 VanDerWaalsContact C-N 3.26Å; L100-A102 PolarHBondContact O-N 2.75Å; L100-I103 HydrophobicContact CD1-CD1 4.26Å; L100-I103 HydrophobicContact CD1-CG1 4.5Å; L100-I103 WeakPolarHBondContact O-CG1 3.2Å; L100-I103 PolarHBondContact O-N 3.2Å; L100-R104 PolarHBondContact O-N 2.95Å; L100-L111 HydrophobicContact CD1-CD1 4.17Å; L100-L111 HydrophobicContact CD1-CD2 3.99Å; L100-L113 HydrophobicContact CD2-CD1 4.47Å; L100-T126 HydrophobicContact CB-CG2 4.46Å; L100-T126 HydrophobicContact CD2-CG2 4.36Å; L100-T126 HydrophobicContact CG-CG2 4.05Å; L100-T126 WeakPolarHBondContact O-CG2 3.22Å; L100-L127 HydrophobicContact CD2-CD2 4.19Å; L100-L127 HydrophobicContact CD2-CG 4.45Å
101E95.7Very high93.6Very high70 Ų7047.5 Ų47.533%0.32722%0.216SC..Hα-helixtrans-60-35.6174.2-75.5176.6-173.900112.3D97 I103 R104 T126D97-E101 WeakPolarHBondContact O-CG 3.21Å; D97-E101 PolarHBondContact O-N 3.22Å; E101-I103 VanDerWaalsContact C-N 3.27Å; E101-I103 PolarHBondContact O-N 3.12Å; E101-R104 WeakPolarHBondContact O-CB 3.44Å; E101-R104 WeakPolarHBondContact O-CD 2.93Å; E101-R104 WeakPolarHBondContact O-CG 3.45Å; E101-R104 PolarHBondContact O-N 3.19Å; E101-T126 WeakPolarHBondContact CG-OG1 3.32Å
102A95Very high93.9Very high19 Ų1947.3 Ų47.316%0.15722%0.218CC..Hα-helixtrans-61.5-35.8178.600000112.4F74 Q75 S78 R98 D99 L100F74-A102 HydrophobicContact CB-CB 4.13Å; Q75-A102 HydrophobicContact CG-CB 4.32Å; S78-A102 VanDerWaalsContact CA-O 3.31Å; S78-A102 WeakPolarHBondContact CA-O 3.44Å; S78-A102 WeakPolarHBondContact CB-O 3.45Å; R98-A102 WeakPolarHBondContact O-CB 3.49Å; R98-A102 PolarHBondContact O-N 3.19Å; D99-A102 WeakPolarHBondContact O-CB 3.45Å; D99-A102 PolarHBondContact O-N 2.84Å; L100-A102 VanDerWaalsContact C-N 3.26Å; L100-A102 PolarHBondContact O-N 2.75Å
103I95.8Very high94.4Very high0 Ų046 Ų460%021%0.212CC..THydrogen-bonded Turntrans-96.98.5-178.466.6173.6000113.7F77 L85 V88 L100 E101 K105 Q106 L108 F130F77-I103 HydrophobicContact CB-CG2 3.97Å; L85-I103 HydrophobicContact CD1-CB 4.31Å; L85-I103 HydrophobicContact CD1-CG2 3.78Å; V88-I103 HydrophobicContact CG1-CD1 4.36Å; V88-I103 HydrophobicContact CG2-CD1 4.47Å; L100-I103 HydrophobicContact CD1-CD1 4.26Å; L100-I103 HydrophobicContact CD1-CG1 4.5Å; L100-I103 WeakPolarHBondContact O-CG1 3.2Å; L100-I103 PolarHBondContact O-N 3.2Å; E101-I103 VanDerWaalsContact C-N 3.27Å; E101-I103 PolarHBondContact O-N 3.12Å; I103-K105 PolarHBondContact O-N 3Å; I103-Q106 HydrophobicContact CB-CG 4.19Å; I103-Q106 VanDerWaalsContact O-CB 3.29Å; I103-Q106 WeakPolarHBondContact O-CB 3.5Å; I103-Q106 WeakPolarHBondContact O-CG 3.38Å; I103-Q106 PolarHBondContact O-N 2.66Å; I103-L108 HydrophobicContact CD1-CD1 4.1Å; I103-F130 HydrophobicContact CG1-CZ 4.4Å; I103-F130 WeakPolarHBondContact O-CE1 3.22Å
104R96.4Very high94.9Very high142 Ų14242.1 Ų42.154%0.53619%0.191SC..THydrogen-bonded Turntrans-56.2-20.2-175.575.4-176.8178.4165.9-1.9116.2L100 E101 T126 S129L100-R104 PolarHBondContact O-N 2.95Å; E101-R104 WeakPolarHBondContact O-CB 3.44Å; E101-R104 WeakPolarHBondContact O-CD 2.93Å; E101-R104 WeakPolarHBondContact O-CG 3.45Å; E101-R104 PolarHBondContact O-N 3.19Å; R104-T126 HydrophobicContact CB-CG2 3.82Å; R104-S129 VanDerWaalsContact O-CB 3.3Å; R104-S129 WeakPolarHBondContact O-CB 3.4Å
105K96.3Very high95.2Very high133 Ų13341.8 Ų41.858%0.57819%0.188SC*.THydrogen-bonded Turntrans-90.7-5.2-179.5-65.3-177.1-177.9172.80113.1P80 I103P80-K105 HydrophobicContact CG-CB 3.8Å; P80-K105 WeakPolarHBondContact CG-O 3.43Å; I103-K105 PolarHBondContact O-N 3Å
106Q96.4Very high95.3Very high7 Ų741.8 Ų41.83%0.03319%0.188CC..SBendtrans-79.5147.9-179-63.5-66.3-25.500110.9F77 T83 L85 I103 L108 F130F77-Q106 PolarHBondContact O-NE2 2.98Å; T83-Q106 PolarHBondContact O-NE2 2.83Å; T83-Q106 PolarHBondContact O-OE1 3.02Å; L85-Q106 HydrophobicContact CB-CB 4.24Å; L85-Q106 HydrophobicContact CB-CG 4.06Å; L85-Q106 HydrophobicContact CD1-CG 4.38Å; I103-Q106 HydrophobicContact CB-CG 4.19Å; I103-Q106 VanDerWaalsContact O-CB 3.29Å; I103-Q106 WeakPolarHBondContact O-CB 3.5Å; I103-Q106 WeakPolarHBondContact O-CG 3.38Å; I103-Q106 PolarHBondContact O-N 2.66Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 HydrophobicContact CB-CD2 4Å; Q106-L108 HydrophobicContact CB-CG 4.26Å; Q106-L108 PolarHBondContact O-N 3.24Å; Q106-L108 VanDerWaalsContact O-N 3.12Å; Q106-F130 WeakPolarHBondContact O-CD1 3.4Å; Q106-F130 WeakPolarHBondContact O-CE1 3.5Å
107D95Very high95.2Very high107 Ų10741.3 Ų41.357%0.57219%0.19SC*.  trans-88.266.4177.9-70.5-38000110.5I109 T133D107-I109 PolarHBondContact O-N 3.34Å; D107-T133 HydrophobicContact CB-CG2 3.97Å
108L97.2Very high95.1Very high0 Ų043.1 Ų43.10%020%0.203CC..  trans-65.3132.4-176.4-60.1-174.8000111.7L85 V88 I103 Q106 L111 F130 T133 L134L85-L108 HydrophobicContact CB-CD2 3.79Å; V88-L108 HydrophobicContact CG2-CD2 3.87Å; I103-L108 HydrophobicContact CD1-CD1 4.1Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 HydrophobicContact CB-CD2 4Å; Q106-L108 HydrophobicContact CB-CG 4.26Å; Q106-L108 PolarHBondContact O-N 3.24Å; Q106-L108 VanDerWaalsContact O-N 3.12Å; L108-L111 HydrophobicContact CD1-CB 4.4Å; L108-L111 HydrophobicContact CD1-CD1 4.28Å; L108-L111 HydrophobicContact CD1-CD2 4.38Å; L108-F130 HydrophobicContact CB-CD1 4.13Å; L108-F130 HydrophobicContact CB-CG 4.37Å; L108-F130 HydrophobicContact CD1-CD1 4.08Å; L108-F130 HydrophobicContact CD1-CD2 4.25Å; L108-F130 HydrophobicContact CD1-CE1 3.77Å; L108-F130 HydrophobicContact CD1-CE2 3.97Å; L108-F130 HydrophobicContact CD1-CG 4.31Å; L108-F130 HydrophobicContact CD1-CZ 3.71Å; L108-F130 HydrophobicContact CG-CD1 3.97Å; L108-F130 HydrophobicContact CG-CE1 3.87Å; L108-F130 HydrophobicContact CG-CZ 4.34Å; L108-T133 CarbonylContact O-C 3.3Å; L108-T133 VanDerWaalsContact O-CB 3.27Å; L108-T133 WeakPolarHBondContact O-CB 3.29Å; L108-T133 PolarHBondContact O-OG1 3.18Å; L108-L134 HydrophobicContact CB-CD1 4.28Å; L108-L134 WeakPolarHBondContact O-CA 3.42Å; L108-L134 PolarHBondContact O-N 2.98Å
109I97.8Very high95.1Very high67 Ų6739.3 Ų39.334%0.34419%0.189SC..SBendtrans-96.3-40173.6-58.1177000109.6T86 D107 V135 S136T86-I109 HydrophobicContact CG2-CD1 4.43Å; T86-I109 PolarHBondContact O-N 2.83Å; D107-I109 PolarHBondContact O-N 3.34Å; I109-V135 HydrophobicContact CG2-CB 4.05Å; I109-V135 HydrophobicContact CG2-CG2 3.99Å; I109-V135 PolarHBondContact O-N 3.28Å; I109-S136 PolarHBondContact O-N 3.26Å; I109-S136 VanDerWaalsContact O-N 3.11Å
110E98.1Very high95.1Very high61 Ų6139.2 Ų39.229%0.28519%0.19SC..EExtended strand (participates in β ladder)trans-130.9127.2-179.5-53.6178.2-170.100109.7T86 R87 V88 S136T86-E110 PolarHBondContact O-N 2.91Å; T86-E110 VanDerWaalsContact O-N 3.07Å; R87-E110 WeakPolarHBondContact CA-O 3.34Å; R87-E110 HydrophobicContact CB-CB 4.31Å; R87-E110 HydrophobicContact CG-CB 4.07Å; R87-E110 HydrophobicContact CG-CG 4.1Å; R87-E110 IonicContact CZ-OE1 3.27Å; R87-E110 IonicContact NE-OE1 2.82Å; R87-E110 PolarHBondContact NE-OE1 2.99Å; R87-E110 IonicContact NE-OE2 3.64Å; R87-E110 IonicContact NH2-OE1 3.73Å; V88-E110 PolarHBondContact N-O 3Å; E110-S136 WeakPolarHBondContact CA-O 3.42Å
111L97.6Very high95Very high0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans-132113.9174.3177.360.8000109.3V88 L100 L108 L113 L127 F130 L134 S136 L137 C138V88-L111 HydrophobicContact CB-CD1 4.15Å; V88-L111 HydrophobicContact CG1-CD1 4.1Å; V88-L111 WeakPolarHBondContact O-CA 3.32Å; L100-L111 HydrophobicContact CD1-CD1 4.17Å; L100-L111 HydrophobicContact CD1-CD2 3.99Å; L108-L111 HydrophobicContact CD1-CB 4.4Å; L108-L111 HydrophobicContact CD1-CD1 4.28Å; L108-L111 HydrophobicContact CD1-CD2 4.38Å; L111-L113 HydrophobicContact CD1-CD2 3.91Å; L111-L113 HydrophobicContact CD1-CG 4.32Å; L111-L113 HydrophobicContact CG-CD2 4.35Å; L111-L113 HydrophobicContact CG-CG 4.22Å; L111-L127 HydrophobicContact CD2-CD2 3.29Å; L111-F130 HydrophobicContact CD2-CD2 4.3Å; L111-F130 HydrophobicContact CD2-CE2 4.28Å; L111-L134 HydrophobicContact CB-CD1 3.91Å; L111-S136 PolarHBondContact N-O 3.05Å; L111-L137 HydrophobicContact CB-CD1 4.31Å; L111-L137 HydrophobicContact CD2-CD1 4.36Å; L111-L137 HydrophobicContact CG-CD1 4.38Å; L111-L137 WeakPolarHBondContact O-CA 3.48Å; L111-C138 PolarHBondContact O-N 3.08Å
112H96.9Very high94.9Very high51 Ų5143.5 Ų43.524%0.23620%0.203CC..EExtended strand (participates in β ladder)trans-113.4115.7178.9-69.2-166000109.4V88 Q89 L90 S136 C138V88-H112 PolarHBondContact O-N 3.28Å; Q89-H112 WeakPolarHBondContact CA-O 3.42Å; Q89-H112 HydrophobicContact CB-CB 4.39Å; Q89-H112 HydrophobicContact CG-CB 4.16Å; L90-H112 PolarHBondContact N-O 3.05Å; L90-H112 VanDerWaalsContact O-O 3.11Å; H112-S136 PolarHBondContact NE2-OG 3.16Å; H112-C138 HydrophobicContact CB-CB 4.11Å
113L96.1Very high94.9Very high0 Ų042.6 Ų42.60%020%0.196CC..EExtended strand (participates in β ladder)trans-113.2123.2173.3-54.2179.4000107.2L90 L100 L111 L119 C138 L139 F140 I145L90-L113 HydrophobicContact CB-CD2 3.82Å; L90-L113 HydrophobicContact CD1-CD2 3.83Å; L90-L113 HydrophobicContact CG-CD2 4.1Å; L90-L113 WeakPolarHBondContact O-CA 3.41Å; L100-L113 HydrophobicContact CD2-CD1 4.47Å; L111-L113 HydrophobicContact CD1-CD2 3.91Å; L111-L113 HydrophobicContact CD1-CG 4.32Å; L111-L113 HydrophobicContact CG-CD2 4.35Å; L111-L113 HydrophobicContact CG-CG 4.22Å; L113-L119 HydrophobicContact CD1-CD1 3.8Å; L113-C138 PolarHBondContact N-O 3.11Å; L113-C138 CarbonylContact O-C 3.57Å; L113-L139 HydrophobicContact CB-CD2 4.27Å; L113-L139 HydrophobicContact CD1-CD2 3.76Å; L113-L139 HydrophobicContact CG-CD2 4.32Å; L113-L139 CarbonylContact O-C 3.37Å; L113-F140 PolarHBondContact O-N 3.2Å; L113-I145 HydrophobicContact CD1-CD1 4.25Å
114T93.8Very high94.7Very high1 Ų142.6 Ų42.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-133.1119.4-176.5-50.10000110.1L90 R91 E92 C116 F140 F374L90-T114 PolarHBondContact O-N 3.38Å; L90-T114 VanDerWaalsContact O-N 3.11Å; R91-T114 CarbonylContact C-O 3.47Å; R91-T114 WeakPolarHBondContact CA-O 3.39Å; E92-T114 PolarHBondContact N-O 2.94Å; T114-C116 PolarHBondContact O-N 3Å; T114-F140 CarbonylContact C-O 3.55Å; T114-F140 WeakPolarHBondContact CA-O 3.42Å; T114-F140 HydrophobicContact CG2-CB 4.46Å; T114-F140 HydrophobicContact CG2-CD1 4.24Å; T114-F374 HydrophobicContact CG2-CE1 4.09Å
115Y91.7Very high94.5Very high54 Ų5441.1 Ų41.121%0.21219%0.194CC..SBendtrans57.629.3-176.5-56.1-65000114.7E92 N117 F140 G141E92-Y115 CarbonylContact C-O 3.59Å; E92-Y115 VanDerWaalsContact CA-O 3.24Å; E92-Y115 WeakPolarHBondContact CA-O 3.17Å; Y115-N117 PolarHBondContact O-N 2.65Å; Y115-N117 VanDerWaalsContact O-N 3.15Å; Y115-F140 HydrophobicContact CE1-CD1 4.19Å; Y115-F140 AromaticContact CE1-CE1 3.91Å; Y115-F140 HydrophobicContact CE1-CE1 3.91Å; Y115-F140 HydrophobicContact CE2-CE1 4.42Å; Y115-F140 AromaticContact CZ-CE1 3.67Å; Y115-F140 PolarHBondContact N-O 3.16Å; Y115-F140 WeakPolarHBondContact OH-CE1 3.41Å; Y115-G141 WeakPolarHBondContact CA-O 3.34Å
116C93.3Very high94.4Very high0 Ų035.3 Ų35.30%017%0.169CC..  trans-86.174.8178.1-51.80000110.8T114 S118 L119T114-C116 PolarHBondContact O-N 3Å; C116-S118 VanDerWaalsContact C-N 3.31Å; C116-L119 HydrophobicContact CB-CD1 3.6Å; C116-L119 HydrophobicContact CB-CG 3.81Å; C116-L119 PolarHBondContact O-N 3.17Å
117N90.6Very high94.3Very high50 Ų5035 Ų3527%0.26717%0.168SC..THydrogen-bonded Turntrans-78.8-12-178.8-55.4-65.4000113.5D93 Y115 L119 G141 S143 N144D93-N117 VanDerWaalsContact OD1-CA 3.23Å; D93-N117 WeakPolarHBondContact OD1-CA 3.12Å; D93-N117 WeakPolarHBondContact OD1-CB 3.37Å; D93-N117 PolarHBondContact OD1-N 3.04Å; Y115-N117 PolarHBondContact O-N 2.65Å; Y115-N117 VanDerWaalsContact O-N 3.15Å; N117-L119 PolarHBondContact O-N 2.95Å; N117-G141 PolarHBondContact OD1-O 3.04Å; N117-S143 PolarHBondContact OD1-N 3.19Å; N117-N144 WeakPolarHBondContact O-CB 3.49Å; N117-N144 PolarHBondContact O-ND2 2.84Å
118S91.4Very high94.2Very high51 Ų5131.9 Ų31.936%0.35715%0.154SC..THydrogen-bonded Turntrans-70.5-10.6169.7-69.40000114.1D93 V95 C116D93-S118 WeakPolarHBondContact CB-OG 3.29Å; D93-S118 WeakPolarHBondContact O-CB 3.39Å; D93-S118 PolarHBondContact O-OG 2.87Å; D93-S118 PolarHBondContact OD1-N 3.38Å; V95-S118 VanDerWaalsContact O-CB 3.3Å; V95-S118 WeakPolarHBondContact O-CB 3.44Å; C116-S118 VanDerWaalsContact C-N 3.31Å
119L93.4Very high94.1Very high2 Ų235.1 Ų35.11%0.0118%0.177CC..  trans-82.9147.1178.4-56.1-177.4000111.8V95 R96 L113 C116 N117 N144 I145V95-L119 HydrophobicContact CG1-CD2 4.16Å; V95-L119 WeakPolarHBondContact O-CD2 3.37Å; R96-L119 VanDerWaalsContact C-CD2 3.42Å; L113-L119 HydrophobicContact CD1-CD1 3.8Å; C116-L119 HydrophobicContact CB-CD1 3.6Å; C116-L119 HydrophobicContact CB-CG 3.81Å; C116-L119 PolarHBondContact O-N 3.17Å; N117-L119 PolarHBondContact O-N 2.95Å; L119-N144 CarbonylContact O-C 3.52Å; L119-N144 VanDerWaalsContact O-CB 3.32Å; L119-N144 WeakPolarHBondContact O-CB 3.39Å; L119-I145 HydrophobicContact CB-CB 4.36Å; L119-I145 HydrophobicContact CB-CD1 4.42Å; L119-I145 HydrophobicContact CB-CG1 3.91Å; L119-I145 HydrophobicContact CD1-CD1 4.22Å; L119-I145 PolarHBondContact O-N 3.32Å
120S93.6Very high94Very high9 Ų932 Ų326%0.06316%0.161CC..  trans-123.6-174.1178.1760000112.1D97 R122 S123 I145D97-S120 PolarHBondContact OD1-N 2.86Å; D97-S120 PolarHBondContact OD1-OG 3Å; D97-S120 WeakPolarHBondContact OD2-CB 3.13Å; D97-S120 PolarHBondContact OD2-N 2.83Å; D97-S120 PolarHBondContact OD2-OG 3.44Å; S120-R122 PolarHBondContact O-N 3.16Å; S120-R122 PolarHBondContact OG-N 2.81Å; S120-S123 WeakPolarHBondContact O-CB 3.26Å; S120-S123 PolarHBondContact O-N 3.11Å; S120-I145 CarbonylContact C-O 3.54Å; S120-I145 VanDerWaalsContact C-O 3.23Å
121S92.6Very high93.8Very high5 Ų534.5 Ų34.54%0.03517%0.168CC..Hα-helixtrans-60.3-13.717680.60000114.7L124 K125 I145 Y147 E175S121-L124 PolarHBondContact O-N 2.96Å; S121-K125 WeakPolarHBondContact O-CG 3.32Å; S121-K125 PolarHBondContact O-N 3.26Å; S121-K125 VanDerWaalsContact O-N 3.09Å; S121-I145 WeakPolarHBondContact CA-O 3.46Å; S121-I145 PolarHBondContact N-O 3.34Å; S121-I145 VanDerWaalsContact N-O 3.12Å; S121-Y147 WeakPolarHBondContact CB-O 3.16Å; S121-Y147 PolarHBondContact N-O 3.06Å; S121-E175 PolarHBondContact OG-OE2 3.26Å
122R93.6Very high93.7Very high154 Ų15439.2 Ų39.258%0.58119%0.19SC*.Hα-helixtrans-61.8-42.6167.3-74.4-175147.4-169.6-6.5112D97 S120 K125 T126D97-R122 HydrophobicContact CB-CB 4.2Å; S120-R122 PolarHBondContact O-N 3.16Å; S120-R122 PolarHBondContact OG-N 2.81Å; R122-K125 WeakPolarHBondContact O-CB 3.31Å; R122-K125 PolarHBondContact O-N 2.84Å; R122-T126 PolarHBondContact O-N 2.97Å; R122-T126 PolarHBondContact O-OG1 3.31Å
123S95Very high93.7Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-65-39175-72.40000112.2D97 S120 K125 T126 L127D97-S123 WeakPolarHBondContact OD1-CB 3.49Å; D97-S123 PolarHBondContact OD1-N 3.01Å; D97-S123 PolarHBondContact OD1-OG 3.44Å; S120-S123 WeakPolarHBondContact O-CB 3.26Å; S120-S123 PolarHBondContact O-N 3.11Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 3.19Å; S123-T126 CarbonylContact O-C 3.45Å; S123-T126 WeakPolarHBondContact O-CA 3.37Å; S123-T126 WeakPolarHBondContact O-CB 3.48Å; S123-T126 PolarHBondContact O-N 2.85Å; S123-T126 VanDerWaalsContact O-N 3.09Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3.17Å
124L92Very high93.8Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-58.4-42.6171.5-78.3-177.8000112.5S121 T126 L127 I145 F146 F178S121-L124 PolarHBondContact O-N 2.96Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 PolarHBondContact O-N 3.21Å; L124-L127 HydrophobicContact CD2-CD1 3.83Å; L124-L127 WeakPolarHBondContact O-CB 3.19Å; L124-L127 PolarHBondContact O-N 3.38Å; L124-I145 WeakPolarHBondContact CD1-O 3.34Å; L124-I145 HydrophobicContact CD2-CD1 4.18Å; L124-I145 HydrophobicContact CD2-CG1 4.32Å; L124-I145 HydrophobicContact CD2-CG2 4.17Å; L124-I145 HydrophobicContact CG-CD1 4.41Å; L124-I145 HydrophobicContact CG-CG1 4.05Å; L124-I145 HydrophobicContact CG-CG2 4.3Å; L124-I145 VanDerWaalsContact CG-O 3.23Å; L124-I145 WeakPolarHBondContact CG-O 3.3Å; L124-F146 HydrophobicContact CD1-CB 4.49Å; L124-F146 HydrophobicContact CD1-CD1 3.63Å; L124-F146 HydrophobicContact CD1-CE1 4.1Å; L124-F146 HydrophobicContact CD1-CG 4.24Å; L124-F146 HydrophobicContact CD2-CE1 4.18Å; L124-F178 HydrophobicContact CB-CD2 3.9Å; L124-F178 HydrophobicContact CB-CE2 4.3Å; L124-F178 HydrophobicContact CB-CG 4.13Å; L124-F178 HydrophobicContact CD1-CB 4.22Å; L124-F178 HydrophobicContact CD1-CD1 4.25Å; L124-F178 HydrophobicContact CD1-CG 4.14Å; L124-F178 HydrophobicContact CD2-CD1 4.15Å; L124-F178 HydrophobicContact CD2-CE1 4.02Å; L124-F178 HydrophobicContact CD2-CE2 4.38Å; L124-F178 HydrophobicContact CD2-CG 4.39Å; L124-F178 HydrophobicContact CD2-CZ 4.15Å; L124-F178 HydrophobicContact CG-CG 4.46Å; L124-F178 WeakPolarHBondContact O-CD2 3.24Å; L124-F178 WeakPolarHBondContact O-CE2 3.4Å
125K91.6Very high94Very high112 Ų11240.3 Ų40.349%0.48720%0.2SC..Hα-helixtrans-62.7-40.1175.2-71.1169.8-173.1165.80110.9S121 R122 S123 L127 S128 E175S121-K125 WeakPolarHBondContact O-CG 3.32Å; S121-K125 PolarHBondContact O-N 3.26Å; S121-K125 VanDerWaalsContact O-N 3.09Å; R122-K125 WeakPolarHBondContact O-CB 3.31Å; R122-K125 PolarHBondContact O-N 2.84Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 3.19Å; K125-L127 VanDerWaalsContact C-N 3.35Å; K125-L127 PolarHBondContact O-N 3.37Å; K125-S128 VanDerWaalsContact O-CB 3.29Å; K125-S128 WeakPolarHBondContact O-CB 3.36Å; K125-S128 PolarHBondContact O-N 3.39Å; K125-E175 VanDerWaalsContact CE-OE2 3.27Å; K125-E175 WeakPolarHBondContact CE-OE2 3.3Å; K125-E175 IonicContact NZ-OE2 3.09Å; K125-E175 PolarHBondContact NZ-OE2 3.33Å
126T94.8Very high94.4Very high11 Ų1138.3 Ų38.37%0.06719%0.194CC..Hα-helixtrans-62.6-39.4175.5-61.10000112.4L100 E101 R104 R122 S123 L124 S128 S129 F130L100-T126 HydrophobicContact CB-CG2 4.46Å; L100-T126 HydrophobicContact CD2-CG2 4.36Å; L100-T126 HydrophobicContact CG-CG2 4.05Å; L100-T126 WeakPolarHBondContact O-CG2 3.22Å; E101-T126 WeakPolarHBondContact CG-OG1 3.32Å; R104-T126 HydrophobicContact CB-CG2 3.82Å; R122-T126 PolarHBondContact O-N 2.97Å; R122-T126 PolarHBondContact O-OG1 3.31Å; S123-T126 CarbonylContact O-C 3.45Å; S123-T126 WeakPolarHBondContact O-CA 3.37Å; S123-T126 WeakPolarHBondContact O-CB 3.48Å; S123-T126 PolarHBondContact O-N 2.85Å; S123-T126 VanDerWaalsContact O-N 3.09Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 PolarHBondContact O-N 3.21Å; T126-S128 PolarHBondContact O-N 3.05Å; T126-S128 VanDerWaalsContact O-N 3.08Å; T126-S129 WeakPolarHBondContact O-CB 3.32Å; T126-S129 PolarHBondContact O-N 3.05Å; T126-S129 PolarHBondContact O-OG 3.21Å; T126-F130 HydrophobicContact CG2-CE2 4.31Å; T126-F130 HydrophobicContact CG2-CZ 4.47Å
127L94.6Very high94.6Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-54.5-31176.5-70177.3000113L100 L111 S123 L124 K125 S129 F130 L137 L139 I145 F183L100-L127 HydrophobicContact CD2-CD2 4.19Å; L100-L127 HydrophobicContact CD2-CG 4.45Å; L111-L127 HydrophobicContact CD2-CD2 3.29Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3.17Å; L124-L127 HydrophobicContact CD2-CD1 3.83Å; L124-L127 WeakPolarHBondContact O-CB 3.19Å; L124-L127 PolarHBondContact O-N 3.38Å; K125-L127 VanDerWaalsContact C-N 3.35Å; K125-L127 PolarHBondContact O-N 3.37Å; L127-S129 PolarHBondContact O-N 3.08Å; L127-S129 VanDerWaalsContact O-N 3.16Å; L127-F130 HydrophobicContact CD2-CD2 4.26Å; L127-F130 PolarHBondContact O-N 3.31Å; L127-L137 HydrophobicContact CD2-CD1 4.26Å; L127-L139 HydrophobicContact CD1-CD1 4.33Å; L127-L139 HydrophobicContact CD1-CD2 4.19Å; L127-I145 HydrophobicContact CD1-CD1 4.46Å; L127-F183 WeakPolarHBondContact O-CZ 3.46Å
128S92.8Very high94.9Very high42 Ų4236.2 Ų36.229%0.29418%0.183SC..G310 helixtrans-63.1-20.1178.3-62.90000112.8K125 T126 F130 R131K125-S128 VanDerWaalsContact O-CB 3.29Å; K125-S128 WeakPolarHBondContact O-CB 3.36Å; K125-S128 PolarHBondContact O-N 3.39Å; T126-S128 PolarHBondContact O-N 3.05Å; T126-S128 VanDerWaalsContact O-N 3.08Å; S128-F130 VanDerWaalsContact C-N 3.25Å; S128-F130 PolarHBondContact O-N 2.96Å; S128-R131 WeakPolarHBondContact O-CD 3.3Å; S128-R131 WeakPolarHBondContact O-CG 3.34Å
129S94.9Very high95.2Very high68 Ų6834 Ų3448%0.47617%0.167SC..G310 helixtrans-68.3-25.3173.5-45.40000112.2R104 T126 L127R104-S129 VanDerWaalsContact O-CB 3.3Å; R104-S129 WeakPolarHBondContact O-CB 3.4Å; T126-S129 WeakPolarHBondContact O-CB 3.32Å; T126-S129 PolarHBondContact O-N 3.05Å; T126-S129 PolarHBondContact O-OG 3.21Å; L127-S129 PolarHBondContact O-N 3.08Å; L127-S129 VanDerWaalsContact O-N 3.16Å
130F95.4Very high95.3Very high0 Ų034 Ų340%017%0.167CC..G310 helixtrans-96.31.4-177.9-47.5-56000113.5I103 Q106 L108 L111 T126 L127 S128 E132 T133 L134I103-F130 HydrophobicContact CG1-CZ 4.4Å; I103-F130 WeakPolarHBondContact O-CE1 3.22Å; Q106-F130 WeakPolarHBondContact O-CD1 3.4Å; Q106-F130 WeakPolarHBondContact O-CE1 3.5Å; L108-F130 HydrophobicContact CB-CD1 4.13Å; L108-F130 HydrophobicContact CB-CG 4.37Å; L108-F130 HydrophobicContact CD1-CD1 4.08Å; L108-F130 HydrophobicContact CD1-CD2 4.25Å; L108-F130 HydrophobicContact CD1-CE1 3.77Å; L108-F130 HydrophobicContact CD1-CE2 3.97Å; L108-F130 HydrophobicContact CD1-CG 4.31Å; L108-F130 HydrophobicContact CD1-CZ 3.71Å; L108-F130 HydrophobicContact CG-CD1 3.97Å; L108-F130 HydrophobicContact CG-CE1 3.87Å; L108-F130 HydrophobicContact CG-CZ 4.34Å; L111-F130 HydrophobicContact CD2-CD2 4.3Å; L111-F130 HydrophobicContact CD2-CE2 4.28Å; T126-F130 HydrophobicContact CG2-CE2 4.31Å; T126-F130 HydrophobicContact CG2-CZ 4.47Å; L127-F130 HydrophobicContact CD2-CD2 4.26Å; L127-F130 PolarHBondContact O-N 3.31Å; S128-F130 VanDerWaalsContact C-N 3.25Å; S128-F130 PolarHBondContact O-N 2.96Å; F130-E132 PolarHBondContact O-N 2.95Å; F130-T133 PolarHBondContact O-N 2.83Å; F130-T133 PolarHBondContact O-OG1 3Å; F130-L134 HydrophobicContact CB-CB 4.39Å; F130-L134 WeakPolarHBondContact O-CB 3.49Å; F130-L134 PolarHBondContact O-N 3.08Å
131R94.8Very high95.2Very high115 Ų11533.6 Ų33.643%0.43416%0.164SC..THydrogen-bonded Turntrans-57.3-30.7-168.672.5-174.8-174.6-154.4-8.5115S128 F183S128-R131 WeakPolarHBondContact O-CD 3.3Å; S128-R131 WeakPolarHBondContact O-CG 3.34Å; R131-F183 HydrophobicContact CB-CD1 4.04Å; R131-F183 HydrophobicContact CB-CD2 3.67Å; R131-F183 HydrophobicContact CB-CE1 3.93Å; R131-F183 HydrophobicContact CB-CE2 3.57Å; R131-F183 HydrophobicContact CB-CG 3.93Å; R131-F183 HydrophobicContact CB-CZ 3.71Å; R131-F183 WeakPolarHBondContact O-CA 3.42Å
132E95.5Very high95.3Very high98 Ų9833.4 Ų33.446%0.45816%0.163SC..THydrogen-bonded Turntrans-82.7-21.2-177.4-57-57.715300113F130 R185F130-E132 PolarHBondContact O-N 2.95Å; E132-R185 WeakPolarHBondContact O-CD 3.24Å; E132-R185 PolarHBondContact O-NE 2.83Å
133T96.6Very high95Very high28 Ų2827.9 Ų27.917%0.17215%0.148CC..THydrogen-bonded Turntrans-108.3-33-172.457.50000112.8D107 L108 F130 V135D107-T133 HydrophobicContact CB-CG2 3.97Å; L108-T133 CarbonylContact O-C 3.3Å; L108-T133 VanDerWaalsContact O-CB 3.27Å; L108-T133 WeakPolarHBondContact O-CB 3.29Å; L108-T133 PolarHBondContact O-OG1 3.18Å; F130-T133 PolarHBondContact O-N 2.83Å; F130-T133 PolarHBondContact O-OG1 3Å; T133-V135 PolarHBondContact O-N 2.9Å
134L97.8Very high94.8Very high0 Ų030.8 Ų30.80%016%0.164CC..  trans-65.5127.5-169.2-157.771.2000112.6L108 L111 F130 S136 L137 F183 R185 L186L108-L134 HydrophobicContact CB-CD1 4.28Å; L108-L134 WeakPolarHBondContact O-CA 3.42Å; L108-L134 PolarHBondContact O-N 2.98Å; L111-L134 HydrophobicContact CB-CD1 3.91Å; F130-L134 HydrophobicContact CB-CB 4.39Å; F130-L134 WeakPolarHBondContact O-CB 3.49Å; F130-L134 PolarHBondContact O-N 3.08Å; L134-S136 WeakPolarHBondContact CD1-O 3.36Å; L134-L137 HydrophobicContact CD2-CB 3.75Å; L134-L137 HydrophobicContact CD2-CD1 4.05Å; L134-L137 HydrophobicContact CD2-CD2 4.13Å; L134-L137 HydrophobicContact CD2-CG 4.18Å; L134-F183 HydrophobicContact CD2-CD1 4.39Å; L134-F183 HydrophobicContact CD2-CE1 4.04Å; L134-R185 CarbonylContact O-C 3.55Å; L134-R185 VanDerWaalsContact O-C 3.22Å; L134-R185 WeakPolarHBondContact O-CB 3.36Å; L134-L186 HydrophobicContact CD2-CD1 4.35Å; L134-L186 HydrophobicContact CG-CD1 4.4Å; L134-L186 WeakPolarHBondContact O-CA 3.41Å; L134-L186 PolarHBondContact O-N 2.81Å
135V98.4Very high94.9Very high48 Ų4830.8 Ų30.829%0.29116%0.164SC..SBendtrans-110.1-34.3177.6178.40000111.1I109 T133 R185 R187 L188I109-V135 HydrophobicContact CG2-CB 4.05Å; I109-V135 HydrophobicContact CG2-CG2 3.99Å; I109-V135 PolarHBondContact O-N 3.28Å; T133-V135 PolarHBondContact O-N 2.9Å; V135-R185 HydrophobicContact CG2-CB 4.41Å; V135-R187 HydrophobicContact CG1-CB 4.14Å; V135-R187 HydrophobicContact CG1-CG 4.06Å; V135-R187 PolarHBondContact O-N 3.04Å; V135-L188 PolarHBondContact O-N 2.97Å
136S98.6Very high94.9Very high11 Ų1125.8 Ų25.88%0.07714%0.142CC..EExtended strand (participates in β ladder)trans-126.9128.4177.5-175.40000111.2I109 E110 L111 H112 L134 L188I109-S136 PolarHBondContact O-N 3.26Å; I109-S136 VanDerWaalsContact O-N 3.11Å; E110-S136 WeakPolarHBondContact CA-O 3.42Å; L111-S136 PolarHBondContact N-O 3.05Å; H112-S136 PolarHBondContact NE2-OG 3.16Å; L134-S136 WeakPolarHBondContact CD1-O 3.36Å; S136-L188 WeakPolarHBondContact CA-O 3.32Å
137L98.3Very high94.7Very high1 Ų127.2 Ų27.21%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-130.6128.2173.8-178.857.6000109.9L111 L127 L134 L139 F180 L186 L188 L189 N190L111-L137 HydrophobicContact CB-CD1 4.31Å; L111-L137 HydrophobicContact CD2-CD1 4.36Å; L111-L137 HydrophobicContact CG-CD1 4.38Å; L111-L137 WeakPolarHBondContact O-CA 3.48Å; L127-L137 HydrophobicContact CD2-CD1 4.26Å; L134-L137 HydrophobicContact CD2-CB 3.75Å; L134-L137 HydrophobicContact CD2-CD1 4.05Å; L134-L137 HydrophobicContact CD2-CD2 4.13Å; L134-L137 HydrophobicContact CD2-CG 4.18Å; L137-L139 HydrophobicContact CD1-CD2 3.88Å; L137-L139 HydrophobicContact CD1-CG 4.12Å; L137-L139 HydrophobicContact CD2-CD1 4.22Å; L137-L139 HydrophobicContact CD2-CG 4.29Å; L137-L139 HydrophobicContact CG-CD2 4.38Å; L137-L139 HydrophobicContact CG-CG 4.06Å; L137-F180 HydrophobicContact CD2-CE1 3.56Å; L137-F180 HydrophobicContact CD2-CZ 3.98Å; L137-L186 HydrophobicContact CB-CD1 3.78Å; L137-L188 PolarHBondContact N-O 3.32Å; L137-L189 HydrophobicContact CB-CD1 4.04Å; L137-L189 HydrophobicContact CD2-CD1 4.12Å; L137-L189 HydrophobicContact CG-CD1 4.18Å; L137-L189 WeakPolarHBondContact O-CA 3.3Å; L137-N190 PolarHBondContact O-N 2.86Å
138C97.9Very high94.4Very high6 Ų631.6 Ų31.64%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-120.3127.3168.31790000109.2L111 H112 L113 N190L111-C138 PolarHBondContact O-N 3.08Å; H112-C138 HydrophobicContact CB-CB 4.11Å; L113-C138 PolarHBondContact N-O 3.11Å; L113-C138 CarbonylContact O-C 3.57Å; C138-N190 HydrophobicContact CB-CB 4.06Å
139L96.9Very high93.6Very high5 Ų536.3 Ų36.33%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-122.929.9175.4-61.2-179000110.9L113 L127 L137 G141 C142 I145 F146 F180 N190 L191L113-L139 HydrophobicContact CB-CD2 4.27Å; L113-L139 HydrophobicContact CD1-CD2 3.76Å; L113-L139 HydrophobicContact CG-CD2 4.32Å; L113-L139 CarbonylContact O-C 3.37Å; L127-L139 HydrophobicContact CD1-CD1 4.33Å; L127-L139 HydrophobicContact CD1-CD2 4.19Å; L137-L139 HydrophobicContact CD1-CD2 3.88Å; L137-L139 HydrophobicContact CD1-CG 4.12Å; L137-L139 HydrophobicContact CD2-CD1 4.22Å; L137-L139 HydrophobicContact CD2-CG 4.29Å; L137-L139 HydrophobicContact CG-CD2 4.38Å; L137-L139 HydrophobicContact CG-CG 4.06Å; L139-G141 PolarHBondContact O-N 2.83Å; L139-C142 PolarHBondContact O-N 3.23Å; L139-I145 HydrophobicContact CD2-CD1 4.16Å; L139-F146 HydrophobicContact CD1-CZ 4.22Å; L139-F180 HydrophobicContact CD1-CZ 4.49Å; L139-N190 PolarHBondContact N-O 2.88Å; L139-L191 HydrophobicContact CB-CD2 4.27Å; L139-L191 HydrophobicContact CD1-CD2 3.94Å; L139-L191 HydrophobicContact CG-CD2 4.44Å
140F95.7Very high91.8Very high0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-61.3124.9-172.7-172.4-81.8000111L113 T114 Y115 C142 G192 Q193 F374L113-F140 PolarHBondContact O-N 3.2Å; T114-F140 CarbonylContact C-O 3.55Å; T114-F140 WeakPolarHBondContact CA-O 3.42Å; T114-F140 HydrophobicContact CG2-CB 4.46Å; T114-F140 HydrophobicContact CG2-CD1 4.24Å; Y115-F140 HydrophobicContact CE1-CD1 4.19Å; Y115-F140 AromaticContact CE1-CE1 3.91Å; Y115-F140 HydrophobicContact CE1-CE1 3.91Å; Y115-F140 HydrophobicContact CE2-CE1 4.42Å; Y115-F140 AromaticContact CZ-CE1 3.67Å; Y115-F140 PolarHBondContact N-O 3.16Å; Y115-F140 WeakPolarHBondContact OH-CE1 3.41Å; F140-C142 PolarHBondContact O-N 2.84Å; F140-G192 WeakPolarHBondContact CA-O 3.34Å; F140-Q193 HydrophobicContact CE1-CG 4.17Å; F140-Q193 HydrophobicContact CE2-CG 4.43Å; F140-Q193 HydrophobicContact CZ-CG 3.99Å; F140-F374 HydrophobicContact CB-CD1 4.4Å; F140-F374 HydrophobicContact CB-CE1 4.27Å; F140-F374 AromaticContact CD1-CD1 3.8Å; F140-F374 HydrophobicContact CD1-CD1 3.8Å; F140-F374 HydrophobicContact CD1-CE1 4.37Å; F140-F374 AromaticContact CD2-CD1 3.9Å; F140-F374 HydrophobicContact CD2-CD1 3.9Å; F140-F374 HydrophobicContact CD2-CE1 4.48Å; F140-F374 HydrophobicContact CD2-CG 4.42Å; F140-F374 HydrophobicContact CE1-CB 4.4Å; F140-F374 AromaticContact CE1-CD1 3.99Å; F140-F374 HydrophobicContact CE1-CD1 3.99Å; F140-F374 HydrophobicContact CE2-CB 3.96Å; F140-F374 HydrophobicContact CE2-CD1 4.08Å; F140-F374 HydrophobicContact CE2-CG 4.28Å; F140-F374 AromaticContact CG-CD1 3.76Å; F140-F374 HydrophobicContact CG-CD1 3.76Å; F140-F374 HydrophobicContact CG-CE1 4.13Å; F140-F374 HydrophobicContact CZ-CB 3.86Å; F140-F374 HydrophobicContact CZ-CD1 4.12Å; F140-F374 HydrophobicContact CZ-CG 4.41Å; F140-F374 WeakPolarHBondContact CZ-O 3.46Å
141G92.4Very high89.3Confident1 Ų139 Ų391%0.0122%0.216CC..THydrogen-bonded Turntrans64.420.5177.900000114.6Y115 N117 L139 S143 G192Y115-G141 WeakPolarHBondContact CA-O 3.34Å; N117-G141 PolarHBondContact OD1-O 3.04Å; L139-G141 PolarHBondContact O-N 2.83Å; G141-S143 VanDerWaalsContact C-N 3.35Å; G141-S143 PolarHBondContact O-N 2.91Å; G141-G192 PolarHBondContact N-O 3.49Å
142C93.7Very high86.4Confident2 Ų237.9 Ų37.91%0.01423%0.232CC..  trans-9459.1176.8-61.70000110.8L139 F140 N144 I145L139-C142 PolarHBondContact O-N 3.23Å; F140-C142 PolarHBondContact O-N 2.84Å; C142-N144 PolarHBondContact O-N 2.92Å; C142-I145 HydrophobicContact CB-CB 4.37Å; C142-I145 HydrophobicContact CB-CG2 4.23Å; C142-I145 WeakPolarHBondContact O-CB 3.23Å; C142-I145 WeakPolarHBondContact O-CG2 3.36Å; C142-I145 PolarHBondContact O-N 3.03Å
143S86.9Confident83.6Confident38 Ų3839.1 Ų39.127%0.26625%0.249SC..G310 helixtrans-59.1-44-167.7-56.70000113.1N117 G141 I145 Y147 P195N117-S143 PolarHBondContact OD1-N 3.19Å; G141-S143 VanDerWaalsContact C-N 3.35Å; G141-S143 PolarHBondContact O-N 2.91Å; S143-I145 PolarHBondContact O-N 3.45Å; S143-Y147 WeakPolarHBondContact O-CD2 3.47Å; S143-Y147 VanDerWaalsContact O-CE2 3.29Å; S143-Y147 WeakPolarHBondContact O-CE2 3.48Å; S143-P195 WeakPolarHBondContact O-CG 3.14Å
144N91.6Very high81.1Confident60 Ų6046.5 Ų46.532%0.32129%0.286SS..G310 helixtrans-72.5-15.4-173.7-68.9-16.6000114N117 L119 C142 F146 Y147N117-N144 WeakPolarHBondContact O-CB 3.49Å; N117-N144 PolarHBondContact O-ND2 2.84Å; L119-N144 CarbonylContact O-C 3.52Å; L119-N144 VanDerWaalsContact O-CB 3.32Å; L119-N144 WeakPolarHBondContact O-CB 3.39Å; C142-N144 PolarHBondContact O-N 2.92Å; N144-F146 PolarHBondContact O-N 2.9Å; N144-F146 VanDerWaalsContact O-N 3.08Å; N144-Y147 PolarHBondContact O-N 3.13Å
145I93.3Very high78.2Confident0 Ų050.7 Ų50.70%032%0.321CS..G310 helixtrans-61.4-24.7-177.5-149.4-176.4000111.8L113 L119 S120 S121 L124 L127 L139 C142 S143 Y147L113-I145 HydrophobicContact CD1-CD1 4.25Å; L119-I145 HydrophobicContact CB-CB 4.36Å; L119-I145 HydrophobicContact CB-CD1 4.42Å; L119-I145 HydrophobicContact CB-CG1 3.91Å; L119-I145 HydrophobicContact CD1-CD1 4.22Å; L119-I145 PolarHBondContact O-N 3.32Å; S120-I145 CarbonylContact C-O 3.54Å; S120-I145 VanDerWaalsContact C-O 3.23Å; S121-I145 WeakPolarHBondContact CA-O 3.46Å; S121-I145 PolarHBondContact N-O 3.34Å; S121-I145 VanDerWaalsContact N-O 3.12Å; L124-I145 WeakPolarHBondContact CD1-O 3.34Å; L124-I145 HydrophobicContact CD2-CD1 4.18Å; L124-I145 HydrophobicContact CD2-CG1 4.32Å; L124-I145 HydrophobicContact CD2-CG2 4.17Å; L124-I145 HydrophobicContact CG-CD1 4.41Å; L124-I145 HydrophobicContact CG-CG1 4.05Å; L124-I145 HydrophobicContact CG-CG2 4.3Å; L124-I145 VanDerWaalsContact CG-O 3.23Å; L124-I145 WeakPolarHBondContact CG-O 3.3Å; L127-I145 HydrophobicContact CD1-CD1 4.46Å; L139-I145 HydrophobicContact CD2-CD1 4.16Å; C142-I145 HydrophobicContact CB-CB 4.37Å; C142-I145 HydrophobicContact CB-CG2 4.23Å; C142-I145 WeakPolarHBondContact O-CB 3.23Å; C142-I145 WeakPolarHBondContact O-CG2 3.36Å; C142-I145 PolarHBondContact O-N 3.03Å; S143-I145 PolarHBondContact O-N 3.45Å; I145-Y147 VanDerWaalsContact C-N 3.35Å
146F91.9Very high74.9Confident8 Ų854.8 Ų54.84%0.03535%0.35CS..G310 helixtrans-85.2-1.5179.2-62.8-80.8000114.4L124 L139 N144 L174 E175 L194 P195 V198 L203L124-F146 HydrophobicContact CD1-CB 4.49Å; L124-F146 HydrophobicContact CD1-CD1 3.63Å; L124-F146 HydrophobicContact CD1-CE1 4.1Å; L124-F146 HydrophobicContact CD1-CG 4.24Å; L124-F146 HydrophobicContact CD2-CE1 4.18Å; L139-F146 HydrophobicContact CD1-CZ 4.22Å; N144-F146 PolarHBondContact O-N 2.9Å; N144-F146 VanDerWaalsContact O-N 3.08Å; F146-L174 HydrophobicContact CB-CD1 4Å; F146-L174 WeakPolarHBondContact O-CD1 3.48Å; F146-E175 WeakPolarHBondContact O-CB 3.33Å; F146-E175 PolarHBondContact O-N 3.22Å; F146-L194 HydrophobicContact CD2-CD1 4.18Å; F146-L194 HydrophobicContact CE1-CD1 4.25Å; F146-L194 HydrophobicContact CE2-CD1 3.49Å; F146-L194 VanDerWaalsContact CE2-CD1 3.49Å; F146-L194 HydrophobicContact CZ-CD1 3.53Å; F146-P195 HydrophobicContact CD2-CG 4.25Å; F146-V198 HydrophobicContact CB-CG2 3.9Å; F146-V198 HydrophobicContact CD1-CG1 4.27Å; F146-V198 HydrophobicContact CD1-CG2 4.43Å; F146-V198 HydrophobicContact CG-CG2 4.03Å; F146-L203 HydrophobicContact CE1-CD1 3.87Å; F146-L203 HydrophobicContact CZ-CD1 4.42Å
147Y90.8Very high71.6Confident41 Ų4160.5 Ų60.516%0.16139%0.385CS..EExtended strand (participates in β ladder)trans-114146.6-176.1-58.5-89000112.7S121 S143 N144 I145 Q172 L174 P195 D197S121-Y147 WeakPolarHBondContact CB-O 3.16Å; S121-Y147 PolarHBondContact N-O 3.06Å; S143-Y147 WeakPolarHBondContact O-CD2 3.47Å; S143-Y147 VanDerWaalsContact O-CE2 3.29Å; S143-Y147 WeakPolarHBondContact O-CE2 3.48Å; N144-Y147 PolarHBondContact O-N 3.13Å; I145-Y147 VanDerWaalsContact C-N 3.35Å; Y147-Q172 HydrophobicContact CD1-CB 4.38Å; Y147-Q172 HydrophobicContact CG-CB 4.41Å; Y147-L174 HydrophobicContact CD1-CD1 4.21Å; Y147-L174 HydrophobicContact CE1-CD1 3.99Å; Y147-P195 HydrophobicContact CE2-CB 4.28Å; Y147-P195 HydrophobicContact CE2-CG 4.03Å; Y147-P195 VanDerWaalsContact OH-CB 3.3Å; Y147-P195 WeakPolarHBondContact OH-CB 3.47Å; Y147-D197 VanDerWaalsContact CE1-OD2 3.24Å; Y147-D197 WeakPolarHBondContact CE1-OD2 3.46Å; Y147-D197 VanDerWaalsContact OH-CG 3.26Å; Y147-D197 PolarHBondContact OH-OD1 3.21Å; Y147-D197 PolarHBondContact OH-OD2 2.76Å
148R87.6Confident68.7Low92 Ų9269.2 Ų69.235%0.34743%0.425SS..EExtended strand (participates in β ladder)trans-76.2125.9173.2-65.9177.4-179.5163.73.3109.1G150 A173 E175 D177R148-G150 PolarHBondContact O-N 3.44Å; R148-G150 VanDerWaalsContact O-N 3.15Å; R148-A173 PolarHBondContact N-O 3.3Å; R148-E175 HydrophobicContact CG-CB 4.41Å; R148-E175 IonicContact CZ-OE1 3.89Å; R148-E175 IonicContact CZ-OE2 2.78Å; R148-E175 IonicContact NE-OE1 2.8Å; R148-E175 PolarHBondContact NE-OE1 2.94Å; R148-E175 IonicContact NE-OE2 2.78Å; R148-E175 PolarHBondContact NE-OE2 2.9Å; R148-E175 VanDerWaalsContact NE-OE2 3.11Å; R148-E175 IonicContact NH2-OE1 3.96Å; R148-E175 PolarHBondContact NH2-OE1 3Å; R148-E175 IonicContact NH2-OE2 2.91Å; R148-D177 IonicContact NH2-OD2 2.87Å; R148-D177 PolarHBondContact NH2-OD2 2.79Å; R148-D177 VanDerWaalsContact NH2-OD2 3.09Å
149K76.3Confident65.7Low141 Ų14176.8 Ų76.861%0.61347%0.465SS*.  trans-60.7118.5170.6-153.4170.5-174.3174.20107.9G151K149-G151 PolarHBondContact O-N 3.45Å; K149-G151 VanDerWaalsContact O-N 3.11Å
150G56.8Low62.6Low52 Ų5281.3 Ų81.354%0.53650%0.497SS..  trans-61.1114.4-177.600000110.3R148R148-G150 PolarHBondContact O-N 3.44Å; R148-G150 VanDerWaalsContact O-N 3.15Å
151G43.3Very low59.9Low71 Ų7190.7 Ų90.773%0.73254%0.541SS*.PPolyproline II helixtrans-71.1136168.700000109.7K149K149-G151 PolarHBondContact O-N 3.45Å; K149-G151 VanDerWaalsContact O-N 3.11Å
152A35.3Very low57.1Low93 Ų9397.2 Ų97.277%0.76958%0.576SS**PPolyproline II helixtrans-53144.6162.500000109.4L154A152-L154 PolarHBondContact O-N 3.29Å
153P36.2Very low54.7Low124 Ų124103.1 Ų103.181%0.80560%0.603SS**PPolyproline II helixtrans-61.4136.6176.6-1226.2000109.6A155P153-A155 PolarHBondContact O-N 3.22Å
154L42.8Very low52.3Low183 Ų183108.4 Ų108.496%0.95863%0.628SS**SBendtrans-18.694.6167.4-73.1146.6000114.9A152A152-L154 PolarHBondContact O-N 3.29Å
155A37.5Very low50.4Low88 Ų88114.3 Ų114.373%0.72765%0.654SS**  trans160.687.5145.400000108.5P153P153-A155 PolarHBondContact O-N 3.22Å
156C28.8Very low48Very low134 Ų134121.9 Ų121.991%0.90570%0.695SS**  trans-166136.6148.8-92.60000108.3
157T29.3Very low45.6Very low131 Ų131126.1 Ų126.180%0.80472%0.721SS**  trans-59.9150.5-173.135.70000113.5
158E38.5Very low43.3Very low183 Ų183128.8 Ų128.886%0.85574%0.743SS**SBendtrans-49.6140.6163.8-60.7177.4159.100109.7
159D34.8Very low41.4Very low166 Ų166128.7 Ų128.789%0.88876%0.762SS**  trans94.557.3176.3-54.1-28.3000118.7
160S30.9Very low39.8Very low100 Ų100126.6 Ų126.670%0.69977%0.771SS**  trans-136.3109.1153.6630000111.7D162S160-D162 PolarHBondContact O-N 3.22Å
161E38.3Very low39.5Very low196 Ų196134.5 Ų134.592%0.91679%0.785SS**  trans-77.879.8173.5-65.5176.7157.800109.8
162D35.5Very low40.7Very low139 Ų139133.6 Ų133.674%0.74376%0.761SS**  trans-140.697.5165.6-74-52.7000108.3S160 D164S160-D162 PolarHBondContact O-N 3.22Å; D162-D164 PolarHBondContact O-N 3Å
163E42.1Very low42.8Very low125 Ų125131.9 Ų131.958%0.58475%0.747SS**  trans-79.482.8170-72-174.415800108.3R96 E165R96-E163 IonicContact CZ-OE2 3.89Å; R96-E163 IonicContact NH1-OE2 2.74Å; R96-E163 PolarHBondContact NH1-OE2 2.89Å; E163-E165 PolarHBondContact O-N 3.27Å
164D37.3Very low45.2Very low149 Ų149128.4 Ų128.480%0.79772%0.722SS**  trans-69.9121.2169.5-86.9-31.2000110.5D162D162-D164 PolarHBondContact O-N 3Å
165E51.7Low47.3Very low184 Ų184120.3 Ų120.386%0.8668%0.679SS**SBendtrans-65153.7166.7-70-178154.200110.9E163E163-E165 PolarHBondContact O-N 3.27Å
166D41.8Very low49.4Very low160 Ų160121 Ų12186%0.85668%0.675SS**  trans71.965.4177.6-69.1-24.7000118
167V42.6Very low52Low97 Ų97120.5 Ų120.559%0.58866%0.663SS**  trans-82.6121.1151.2-176.30000108.7A169V167-A169 PolarHBondContact O-N 3.28Å
168P41.1Very low54.9Low97 Ų97115.3 Ų115.363%0.6363%0.629SS**  trans-56.7136.1177.9-21.830.5000111.7A170P168-A170 PolarHBondContact O-N 2.92Å
169A47.5Very low57.2Low89 Ų89108.9 Ų108.974%0.73660%0.604SS**G310 helixtrans-50-18.5179.400000115V167 R171V167-A169 PolarHBondContact O-N 3.28Å; A169-R171 PolarHBondContact O-N 2.9Å
170A43.3Very low60.1Low98 Ų98101 Ų10181%0.8156%0.562SS**G310 helixtrans-67.6-0.7-175.900000116.2P168P168-A170 PolarHBondContact O-N 2.92Å
171R50.8Low63.1Low217 Ų217102.6 Ų102.682%0.81956%0.559SS**G310 helixtrans-123.84.6-177.7-72.4-173.7174.9172.30.1115.8A169A169-R171 PolarHBondContact O-N 2.9Å
172Q67.6Low65.7Low52 Ų5294 Ų9424%0.24352%0.523CS..PPolyproline II helixtrans-92.8125.4-178.1-56.4-173.43.700110.9Y147Y147-Q172 HydrophobicContact CD1-CB 4.38Å; Y147-Q172 HydrophobicContact CG-CB 4.41Å
173A81.4Confident68.6Low57 Ų5787.7 Ų87.747%0.47149%0.489SS..EExtended strand (participates in β ladder)trans-87136.617700000110.2R148R148-A173 PolarHBondContact N-O 3.3Å
174L86.3Confident71.2Confident52 Ų5286.5 Ų86.527%0.27249%0.487SS..EExtended strand (participates in β ladder)trans-61.2136.9176.3-172.769.4000111.2F146 Y147 T176 V198F146-L174 HydrophobicContact CB-CD1 4Å; F146-L174 WeakPolarHBondContact O-CD1 3.48Å; Y147-L174 HydrophobicContact CD1-CD1 4.21Å; Y147-L174 HydrophobicContact CE1-CD1 3.99Å; L174-T176 PolarHBondContact O-N 3.23Å; L174-V198 HydrophobicContact CD1-CG2 3.54Å; L174-V198 HydrophobicContact CD2-CG2 4.48Å
175E86Confident74Confident12 Ų1286.5 Ų86.56%0.05648%0.475CS..  trans-80.3104.3173.4-177.464.5-94.900110.3S121 K125 F146 R148 D177 F178S121-E175 PolarHBondContact OG-OE2 3.26Å; K125-E175 VanDerWaalsContact CE-OE2 3.27Å; K125-E175 WeakPolarHBondContact CE-OE2 3.3Å; K125-E175 IonicContact NZ-OE2 3.09Å; K125-E175 PolarHBondContact NZ-OE2 3.33Å; F146-E175 WeakPolarHBondContact O-CB 3.33Å; F146-E175 PolarHBondContact O-N 3.22Å; R148-E175 HydrophobicContact CG-CB 4.41Å; R148-E175 IonicContact CZ-OE1 3.89Å; R148-E175 IonicContact CZ-OE2 2.78Å; R148-E175 IonicContact NE-OE1 2.8Å; R148-E175 PolarHBondContact NE-OE1 2.94Å; R148-E175 IonicContact NE-OE2 2.78Å; R148-E175 PolarHBondContact NE-OE2 2.9Å; R148-E175 VanDerWaalsContact NE-OE2 3.11Å; R148-E175 IonicContact NH2-OE1 3.96Å; R148-E175 PolarHBondContact NH2-OE1 3Å; R148-E175 IonicContact NH2-OE2 2.91Å; E175-D177 WeakPolarHBondContact OE1-CB 3.46Å; E175-D177 PolarHBondContact OE1-N 3.41Å; E175-F178 HydrophobicContact CG-CB 4.42Å
176T82.1Confident76.2Confident104 Ų10477.8 Ų77.864%0.63844%0.435SS*.  trans-87.8-12.7179.954.50000113.7L174L174-T176 PolarHBondContact O-N 3.23Å
177D83.3Confident78.9Confident123 Ų12374.4 Ų74.466%0.65841%0.41SS*.SBendtrans-89.1-3.4-170.5-58.5-23.6000113R148 E175R148-D177 IonicContact NH2-OD2 2.87Å; R148-D177 PolarHBondContact NH2-OD2 2.79Å; R148-D177 VanDerWaalsContact NH2-OD2 3.09Å; E175-D177 WeakPolarHBondContact OE1-CB 3.46Å; E175-D177 PolarHBondContact OE1-N 3.41Å
178F89.2Confident81.6Confident21 Ų2173.3 Ų73.39%0.09240%0.4CS..  trans-88.1138.9177.5-179.5-95.8000111.9L124 E175 F180 L203L124-F178 HydrophobicContact CB-CD2 3.9Å; L124-F178 HydrophobicContact CB-CE2 4.3Å; L124-F178 HydrophobicContact CB-CG 4.13Å; L124-F178 HydrophobicContact CD1-CB 4.22Å; L124-F178 HydrophobicContact CD1-CD1 4.25Å; L124-F178 HydrophobicContact CD1-CG 4.14Å; L124-F178 HydrophobicContact CD2-CD1 4.15Å; L124-F178 HydrophobicContact CD2-CE1 4.02Å; L124-F178 HydrophobicContact CD2-CE2 4.38Å; L124-F178 HydrophobicContact CD2-CG 4.39Å; L124-F178 HydrophobicContact CD2-CZ 4.15Å; L124-F178 HydrophobicContact CG-CG 4.46Å; L124-F178 WeakPolarHBondContact O-CD2 3.24Å; L124-F178 WeakPolarHBondContact O-CE2 3.4Å; E175-F178 HydrophobicContact CG-CB 4.42Å; F178-F180 HydrophobicContact CE1-CD1 4.21Å; F178-F180 HydrophobicContact CE1-CD2 4.37Å; F178-F180 HydrophobicContact CE1-CE1 4.01Å; F178-F180 HydrophobicContact CE1-CE2 4.19Å; F178-F180 HydrophobicContact CE1-CG 4.38Å; F178-F180 HydrophobicContact CE1-CZ 4.01Å; F178-F180 HydrophobicContact CZ-CD1 4.1Å; F178-F180 AromaticContact CZ-CE1 3.93Å; F178-F180 HydrophobicContact CZ-CE1 3.93Å; F178-F180 HydrophobicContact CZ-CZ 4.35Å; F178-L203 HydrophobicContact CD1-CD2 4.19Å
179S88.8Confident84.3Confident48 Ų4868.9 Ų68.934%0.33637%0.372SS..  trans-148.6146.8174.4-179.70000110.1Q181 P206S179-Q181 PolarHBondContact O-N 2.74Å; S179-Q181 PolarHBondContact OG-N 3.32Å; S179-P206 WeakPolarHBondContact OG-CG 3.4Å
180F94.9Very high86.7Confident1 Ų165.5 Ų65.50%0.00434%0.341CS..  trans-7316.7171.6-73.4-65.6000113.8L137 L139 F178 G182 F183 L186 L189 L191 L203 L207L137-F180 HydrophobicContact CD2-CE1 3.56Å; L137-F180 HydrophobicContact CD2-CZ 3.98Å; L139-F180 HydrophobicContact CD1-CZ 4.49Å; F178-F180 HydrophobicContact CE1-CD1 4.21Å; F178-F180 HydrophobicContact CE1-CD2 4.37Å; F178-F180 HydrophobicContact CE1-CE1 4.01Å; F178-F180 HydrophobicContact CE1-CE2 4.19Å; F178-F180 HydrophobicContact CE1-CG 4.38Å; F178-F180 HydrophobicContact CE1-CZ 4.01Å; F178-F180 HydrophobicContact CZ-CD1 4.1Å; F178-F180 AromaticContact CZ-CE1 3.93Å; F178-F180 HydrophobicContact CZ-CE1 3.93Å; F178-F180 HydrophobicContact CZ-CZ 4.35Å; F180-G182 PolarHBondContact O-N 3.48Å; F180-F183 HydrophobicContact CB-CD2 4.28Å; F180-F183 HydrophobicContact CD1-CD1 4.39Å; F180-F183 AromaticContact CD1-CD2 3.98Å; F180-F183 HydrophobicContact CD1-CD2 3.98Å; F180-F183 HydrophobicContact CD1-CE2 4.11Å; F180-F183 HydrophobicContact CD1-CG 4.11Å; F180-F183 HydrophobicContact CD1-CZ 4.38Å; F180-F183 WeakPolarHBondContact O-CB 3.36Å; F180-F183 WeakPolarHBondContact O-CD2 3.36Å; F180-F183 PolarHBondContact O-N 3.05Å; F180-L186 HydrophobicContact CD1-CD2 4.36Å; F180-L189 HydrophobicContact CE2-CD2 4.43Å; F180-L189 HydrophobicContact CZ-CD1 4.34Å; F180-L191 HydrophobicContact CE2-CD1 4.38Å; F180-L191 HydrophobicContact CE2-CD2 4.4Å; F180-L191 HydrophobicContact CZ-CD2 4.32Å; F180-L203 HydrophobicContact CD2-CB 4.1Å; F180-L203 WeakPolarHBondContact CD2-O 3.49Å; F180-L203 HydrophobicContact CE2-CB 4.23Å; F180-L207 HydrophobicContact CB-CD1 4.05Å; F180-L207 HydrophobicContact CB-CD2 3.72Å; F180-L207 HydrophobicContact CB-CG 3.72Å; F180-L207 HydrophobicContact CD2-CD1 4.24Å; F180-L207 HydrophobicContact CG-CD1 4.14Å; F180-L207 HydrophobicContact CG-CD2 4.41Å; F180-L207 HydrophobicContact CG-CG 4.35Å
181Q93.9Very high89.2Confident133 Ų13360.9 Ų60.962%0.62130%0.303SS*.THydrogen-bonded Turntrans-56.8128.5171.8-17367.72700110.8S179 P206S179-Q181 PolarHBondContact O-N 2.74Å; S179-Q181 PolarHBondContact OG-N 3.32Å; Q181-P206 HydrophobicContact CB-CB 4.4Å
182G93.5Very high91.4Very high17 Ų1750.6 Ų50.618%0.17526%0.264CS..THydrogen-bonded Turntrans91.4-9.5179.700000115.1F180 N184F180-G182 PolarHBondContact O-N 3.48Å; G182-N184 PolarHBondContact O-N 2.99Å; G182-N184 PolarHBondContact O-ND2 3.36Å
183F96.6Very high92.6Very high5 Ų550.9 Ų50.92%0.02227%0.266CS..  trans-75.458.7174.4-73.8-102.7000112.1L127 R131 L134 F180 R185 L186 L207L127-F183 WeakPolarHBondContact O-CZ 3.46Å; R131-F183 HydrophobicContact CB-CD1 4.04Å; R131-F183 HydrophobicContact CB-CD2 3.67Å; R131-F183 HydrophobicContact CB-CE1 3.93Å; R131-F183 HydrophobicContact CB-CE2 3.57Å; R131-F183 HydrophobicContact CB-CG 3.93Å; R131-F183 HydrophobicContact CB-CZ 3.71Å; R131-F183 WeakPolarHBondContact O-CA 3.42Å; L134-F183 HydrophobicContact CD2-CD1 4.39Å; L134-F183 HydrophobicContact CD2-CE1 4.04Å; F180-F183 HydrophobicContact CB-CD2 4.28Å; F180-F183 HydrophobicContact CD1-CD1 4.39Å; F180-F183 AromaticContact CD1-CD2 3.98Å; F180-F183 HydrophobicContact CD1-CD2 3.98Å; F180-F183 HydrophobicContact CD1-CE2 4.11Å; F180-F183 HydrophobicContact CD1-CG 4.11Å; F180-F183 HydrophobicContact CD1-CZ 4.38Å; F180-F183 WeakPolarHBondContact O-CB 3.36Å; F180-F183 WeakPolarHBondContact O-CD2 3.36Å; F180-F183 PolarHBondContact O-N 3.05Å; F183-R185 PolarHBondContact O-N 2.78Å; F183-L186 HydrophobicContact CB-CB 4.06Å; F183-L186 HydrophobicContact CB-CD2 4.35Å; F183-L186 HydrophobicContact CD1-CD2 4.45Å; F183-L186 PolarHBondContact O-N 3.39Å; F183-L207 HydrophobicContact CB-CD2 3.72Å
184N95.3Very high93.2Very high100 Ų10048.6 Ų48.654%0.53525%0.245SC..THydrogen-bonded Turntrans-67.9-24.7-171.1-63.8-46.1000113G182 R187 S209G182-N184 PolarHBondContact O-N 2.99Å; G182-N184 PolarHBondContact O-ND2 3.36Å; N184-R187 PolarHBondContact O-NH1 2.94Å; N184-S209 PolarHBondContact O-OG 3.4Å
185R96.8Very high93.5Very high149 Ų14946.9 Ų46.956%0.56224%0.237SC*.THydrogen-bonded Turntrans-92.1-11.5179.9-63.4-161.6-172.3-178.51.3114E132 L134 V135 F183 R187E132-R185 WeakPolarHBondContact O-CD 3.24Å; E132-R185 PolarHBondContact O-NE 2.83Å; L134-R185 CarbonylContact O-C 3.55Å; L134-R185 VanDerWaalsContact O-C 3.22Å; L134-R185 WeakPolarHBondContact O-CB 3.36Å; V135-R185 HydrophobicContact CG2-CB 4.41Å; F183-R185 PolarHBondContact O-N 2.78Å; R185-R187 WeakPolarHBondContact O-CG 3.43Å; R185-R187 PolarHBondContact O-N 3.05Å; R185-R187 PolarHBondContact O-NH1 3.14Å
186L97.9Very high93.6Very high1 Ų151 Ų511%0.00526%0.26CS..  trans-64125.5-178.8-168.164000110.5L134 L137 F180 F183 L189 L207 S209L134-L186 HydrophobicContact CD2-CD1 4.35Å; L134-L186 HydrophobicContact CG-CD1 4.4Å; L134-L186 WeakPolarHBondContact O-CA 3.41Å; L134-L186 PolarHBondContact O-N 2.81Å; L137-L186 HydrophobicContact CB-CD1 3.78Å; F180-L186 HydrophobicContact CD1-CD2 4.36Å; F183-L186 HydrophobicContact CB-CB 4.06Å; F183-L186 HydrophobicContact CB-CD2 4.35Å; F183-L186 HydrophobicContact CD1-CD2 4.45Å; F183-L186 PolarHBondContact O-N 3.39Å; L186-L189 HydrophobicContact CD2-CB 4.43Å; L186-L189 HydrophobicContact CD2-CD1 4.28Å; L186-L189 HydrophobicContact CD2-CD2 4.19Å; L186-L207 HydrophobicContact CB-CD2 4.23Å; L186-L207 HydrophobicContact CD2-CD1 4.01Å; L186-L207 HydrophobicContact CD2-CD2 3.87Å; L186-S209 CarbonylContact O-C 3.59Å
187R98.2Very high94Very high89 Ų8950.1 Ų50.134%0.33625%0.251SS..  trans-122-39.5-177.9-63.7-54.4-177.5-96.77.7112V135 N184 R185 S209 T211 A212V135-R187 HydrophobicContact CG1-CB 4.14Å; V135-R187 HydrophobicContact CG1-CG 4.06Å; V135-R187 PolarHBondContact O-N 3.04Å; N184-R187 PolarHBondContact O-NH1 2.94Å; R185-R187 WeakPolarHBondContact O-CG 3.43Å; R185-R187 PolarHBondContact O-N 3.05Å; R185-R187 PolarHBondContact O-NH1 3.14Å; R187-S209 WeakPolarHBondContact CD-O 3.41Å; R187-S209 PolarHBondContact NH1-OG 3.43Å; R187-T211 PolarHBondContact O-N 2.85Å; R187-T211 PolarHBondContact O-OG1 3.43Å; R187-A212 PolarHBondContact O-N 3.13Å
188L98.6Very high94.3Very high74 Ų7444.9 Ų44.939%0.38722%0.224SC..EExtended strand (participates in β ladder)trans-113.2118.5-177.7-46.7177.1000107.8V135 S136 L137 A212V135-L188 PolarHBondContact O-N 2.97Å; S136-L188 WeakPolarHBondContact CA-O 3.32Å; L137-L188 PolarHBondContact N-O 3.32Å; L188-A212 HydrophobicContact CD2-CB 3.44Å; L188-A212 VanDerWaalsContact CD2-CB 3.44Å
189L98.4Very high94.4Very high5 Ų548.3 Ų48.33%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-133123.6-178.6178.856.6000110.3L137 F180 L186 L191 L204 L207 A212 L213 D214L137-L189 HydrophobicContact CB-CD1 4.04Å; L137-L189 HydrophobicContact CD2-CD1 4.12Å; L137-L189 HydrophobicContact CG-CD1 4.18Å; L137-L189 WeakPolarHBondContact O-CA 3.3Å; F180-L189 HydrophobicContact CE2-CD2 4.43Å; F180-L189 HydrophobicContact CZ-CD1 4.34Å; L186-L189 HydrophobicContact CD2-CB 4.43Å; L186-L189 HydrophobicContact CD2-CD1 4.28Å; L186-L189 HydrophobicContact CD2-CD2 4.19Å; L189-L191 HydrophobicContact CD1-CD2 3.87Å; L189-L191 HydrophobicContact CD1-CG 3.95Å; L189-L191 HydrophobicContact CD2-CD1 4.08Å; L189-L191 HydrophobicContact CD2-CG 4.21Å; L189-L191 HydrophobicContact CG-CD1 4.35Å; L189-L191 HydrophobicContact CG-CD2 4.41Å; L189-L191 HydrophobicContact CG-CG 3.93Å; L189-L204 HydrophobicContact CD2-CD2 3.38Å; L189-L207 HydrophobicContact CD2-CD1 3.48Å; L189-L207 VanDerWaalsContact CD2-CD1 3.48Å; L189-A212 PolarHBondContact N-O 2.72Å; L189-L213 HydrophobicContact CB-CD1 4.14Å; L189-L213 HydrophobicContact CD2-CD1 4.27Å; L189-L213 HydrophobicContact CG-CD1 4.18Å; L189-L213 WeakPolarHBondContact O-CA 3.45Å; L189-D214 PolarHBondContact O-N 2.95Å
190N98Very high94.6Very high18 Ų1846.2 Ų46.210%0.09623%0.226CC..EExtended strand (participates in β ladder)trans-114.8115.9171.2-175.9-26000109.5L137 C138 L139 G192 D214L137-N190 PolarHBondContact O-N 2.86Å; C138-N190 HydrophobicContact CB-CB 4.06Å; L139-N190 PolarHBondContact N-O 2.88Å; N190-G192 PolarHBondContact OD1-N 3.45Å; N190-D214 HydrophobicContact CB-CB 3.96Å; N190-D214 PolarHBondContact ND2-OD2 3.49Å
191L96.8Very high94.5Very high1 Ų149.4 Ų49.41%0.00524%0.241CC..  trans-117.630.6175-63.4179.5000110.6L139 F180 L189 L194 L204 D214 L215 V218L139-L191 HydrophobicContact CB-CD2 4.27Å; L139-L191 HydrophobicContact CD1-CD2 3.94Å; L139-L191 HydrophobicContact CG-CD2 4.44Å; F180-L191 HydrophobicContact CE2-CD1 4.38Å; F180-L191 HydrophobicContact CE2-CD2 4.4Å; F180-L191 HydrophobicContact CZ-CD2 4.32Å; L189-L191 HydrophobicContact CD1-CD2 3.87Å; L189-L191 HydrophobicContact CD1-CG 3.95Å; L189-L191 HydrophobicContact CD2-CD1 4.08Å; L189-L191 HydrophobicContact CD2-CG 4.21Å; L189-L191 HydrophobicContact CG-CD1 4.35Å; L189-L191 HydrophobicContact CG-CD2 4.41Å; L189-L191 HydrophobicContact CG-CG 3.93Å; L191-L194 WeakPolarHBondContact O-CB 3.3Å; L191-L194 PolarHBondContact O-N 2.92Å; L191-L204 HydrophobicContact CD1-CD2 3.81Å; L191-L204 HydrophobicContact CD1-CG 4.21Å; L191-D214 PolarHBondContact N-O 3.37Å; L191-L215 HydrophobicContact CB-CD2 4.32Å; L191-V218 WeakPolarHBondContact O-CG2 3.39Å
192G95.6Very high94.4Very high1 Ų146 Ų461%0.0123%0.231CC..THydrogen-bonded Turntrans-60.4141.7-179.800000112F140 G141 N190 L194 S216F140-G192 WeakPolarHBondContact CA-O 3.34Å; G141-G192 PolarHBondContact N-O 3.49Å; N190-G192 PolarHBondContact OD1-N 3.45Å; G192-L194 VanDerWaalsContact C-N 3.31Å; G192-S216 CarbonylContact C-O 3.42Å; G192-S216 WeakPolarHBondContact CA-O 3.48Å
193Q94.1Very high94.3Very high57 Ų5745.7 Ų45.727%0.26623%0.226SC..THydrogen-bonded Turntrans6036.1-173-52.1-172.3-000113.7F140 S216 N217F140-Q193 HydrophobicContact CE1-CG 4.17Å; F140-Q193 HydrophobicContact CE2-CG 4.43Å; F140-Q193 HydrophobicContact CZ-CG 3.99Å; Q193-S216 PolarHBondContact N-O 3.01Å; Q193-N217 HydrophobicContact CG-CB 4.08Å
194L93.6Very high94.2Very high9 Ų945.5 Ų45.55%0.04723%0.225CC..  trans-57.6135.5171-164.970.2000110.6F146 L191 G192 V198 A200 L203 V218F146-L194 HydrophobicContact CD2-CD1 4.18Å; F146-L194 HydrophobicContact CE1-CD1 4.25Å; F146-L194 HydrophobicContact CE2-CD1 3.49Å; F146-L194 VanDerWaalsContact CE2-CD1 3.49Å; F146-L194 HydrophobicContact CZ-CD1 3.53Å; L191-L194 WeakPolarHBondContact O-CB 3.3Å; L191-L194 PolarHBondContact O-N 2.92Å; G192-L194 VanDerWaalsContact C-N 3.31Å; L194-V198 HydrophobicContact CD1-CB 4.29Å; L194-V198 HydrophobicContact CD1-CG1 3.95Å; L194-V198 HydrophobicContact CD2-CB 4.15Å; L194-V198 HydrophobicContact CD2-CG1 3.9Å; L194-V198 HydrophobicContact CG-CB 3.96Å; L194-V198 HydrophobicContact CG-CG1 3.99Å; L194-A200 HydrophobicContact CD2-CB 3.81Å; L194-L203 HydrophobicContact CD1-CD1 4.33Å; L194-L203 HydrophobicContact CD2-CD1 4.44Å; L194-V218 HydrophobicContact CB-CG1 4.26Å; L194-V218 HydrophobicContact CB-CG2 3.7Å; L194-V218 HydrophobicContact CD2-CG1 4.27Å
195P91.8Very high94.1Very high16 Ų1648.6 Ų48.610%0.10423%0.229CC..  trans-58.3145177.5-23.532.8000113.2S143 F146 Y147 D197 V198S143-P195 WeakPolarHBondContact O-CG 3.14Å; F146-P195 HydrophobicContact CD2-CG 4.25Å; Y147-P195 HydrophobicContact CE2-CB 4.28Å; Y147-P195 HydrophobicContact CE2-CG 4.03Å; Y147-P195 VanDerWaalsContact OH-CB 3.3Å; Y147-P195 WeakPolarHBondContact OH-CB 3.47Å; P195-D197 VanDerWaalsContact CB-OD1 3.29Å; P195-D197 WeakPolarHBondContact CB-OD1 3.37Å; P195-D197 PolarHBondContact O-N 3.31Å; P195-D197 VanDerWaalsContact O-N 3.17Å; P195-V198 HydrophobicContact CB-CG2 4.01Å; P195-V198 HydrophobicContact CG-CG2 4.19Å; P195-V198 PolarHBondContact O-N 3.3Å
196D89.3Confident94.1Very high100 Ų10043 Ų4354%0.53521%0.212SC..THydrogen-bonded Turntrans-60-27-173.9-97.22.3000114.2R219D196-R219 VanDerWaalsContact CG-NH1 3.32Å; D196-R219 IonicContact OD1-CZ 2.73Å; D196-R219 IonicContact OD1-NH1 3.63Å; D196-R219 IonicContact OD1-NH2 3.05Å; D196-R219 IonicContact OD2-CZ 3.19Å; D196-R219 IonicContact OD2-NH1 3.73Å; D196-R219 PolarHBondContact OD2-NH1 2.85Å; D196-R219 IonicContact OD2-NH2 3.11Å; D196-R219 PolarHBondContact OD2-NH2 2.97Å
197D89.3Confident94Very high84 Ų8443 Ų4345%0.44921%0.212SC..THydrogen-bonded Turntrans-87-8.617961.5-33.4000113.4Y147 P195Y147-D197 VanDerWaalsContact CE1-OD2 3.24Å; Y147-D197 WeakPolarHBondContact CE1-OD2 3.46Å; Y147-D197 VanDerWaalsContact OH-CG 3.26Å; Y147-D197 PolarHBondContact OH-OD1 3.21Å; Y147-D197 PolarHBondContact OH-OD2 2.76Å; P195-D197 VanDerWaalsContact CB-OD1 3.29Å; P195-D197 WeakPolarHBondContact CB-OD1 3.37Å; P195-D197 PolarHBondContact O-N 3.31Å; P195-D197 VanDerWaalsContact O-N 3.17Å
198V90.4Very high93.7Very high14 Ų1446.2 Ų46.29%0.08522%0.224CC..SBendtrans-91.7116.3175.9-177.10000110.2F146 L174 L194 P195 A200 L203F146-V198 HydrophobicContact CB-CG2 3.9Å; F146-V198 HydrophobicContact CD1-CG1 4.27Å; F146-V198 HydrophobicContact CD1-CG2 4.43Å; F146-V198 HydrophobicContact CG-CG2 4.03Å; L174-V198 HydrophobicContact CD1-CG2 3.54Å; L174-V198 HydrophobicContact CD2-CG2 4.48Å; L194-V198 HydrophobicContact CD1-CB 4.29Å; L194-V198 HydrophobicContact CD1-CG1 3.95Å; L194-V198 HydrophobicContact CD2-CB 4.15Å; L194-V198 HydrophobicContact CD2-CG1 3.9Å; L194-V198 HydrophobicContact CG-CB 3.96Å; L194-V198 HydrophobicContact CG-CG1 3.99Å; P195-V198 HydrophobicContact CB-CG2 4.01Å; P195-V198 HydrophobicContact CG-CG2 4.19Å; P195-V198 PolarHBondContact O-N 3.3Å; V198-A200 PolarHBondContact O-N 3.3Å; V198-A200 VanDerWaalsContact O-N 3.16Å; V198-L203 HydrophobicContact CG1-CD1 3.5Å; V198-L203 VanDerWaalsContact CG1-CD1 3.5Å; V198-L203 HydrophobicContact CG1-CG 4.28Å
199E90.6Very high93.5Very high92 Ų9243.6 Ų43.643%0.4321%0.212SC..  trans-77.9104-179.7-169.4-176.2-178.300111.5E201 S202 L203E199-E201 VanDerWaalsContact C-N 3.3Å; E199-E201 PolarHBondContact O-N 3.02Å; E199-S202 PolarHBondContact O-N 3.36Å; E199-S202 VanDerWaalsContact O-N 3.14Å; E199-S202 PolarHBondContact O-OG 3.31Å; E199-L203 PolarHBondContact O-N 2.9Å
200A92.4Very high93.5Very high5 Ų543.3 Ų43.34%0.04121%0.211CC..Hα-helixtrans-54.8-40.5-177.900000113.6L194 V198 S202 L203 L204 V218L194-A200 HydrophobicContact CD2-CB 3.81Å; V198-A200 PolarHBondContact O-N 3.3Å; V198-A200 VanDerWaalsContact O-N 3.16Å; A200-S202 VanDerWaalsContact C-N 3.34Å; A200-S202 PolarHBondContact O-N 2.94Å; A200-L203 PolarHBondContact O-N 2.97Å; A200-L204 HydrophobicContact CB-CD1 4.41Å; A200-L204 VanDerWaalsContact O-CB 3.26Å; A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 WeakPolarHBondContact O-CD1 3.23Å; A200-L204 WeakPolarHBondContact O-CG 3.16Å; A200-L204 PolarHBondContact O-N 3.35Å; A200-L204 VanDerWaalsContact O-N 3.08Å; A200-V218 HydrophobicContact CB-CG1 4.01Å
201E93.3Very high93.5Very high67 Ų6744.6 Ų44.631%0.31322%0.219SC..Hα-helixtrans-59.1-44.8179.1177.4169.1171.100111.6E199 L203 L204 R205 F225E199-E201 VanDerWaalsContact C-N 3.3Å; E199-E201 PolarHBondContact O-N 3.02Å; E201-L203 VanDerWaalsContact C-N 3.32Å; E201-L203 PolarHBondContact O-N 3.07Å; E201-L204 PolarHBondContact O-N 3.38Å; E201-R205 WeakPolarHBondContact O-CB 3.16Å; E201-R205 PolarHBondContact O-N 3.46Å; E201-F225 HydrophobicContact CB-CD1 3.85Å; E201-F225 HydrophobicContact CB-CE1 4.21Å; E201-F225 HydrophobicContact CB-CG 4.07Å; E201-F225 HydrophobicContact CG-CB 3.7Å; E201-F225 HydrophobicContact CG-CD1 3.96Å; E201-F225 HydrophobicContact CG-CD2 4.48Å; E201-F225 HydrophobicContact CG-CG 3.8Å
202S91.6Very high93.6Very high61 Ų6145.5 Ų45.543%0.42723%0.227SC..Hα-helixtrans-60.2-41.4-178.2760000112.4E199 A200E199-S202 PolarHBondContact O-N 3.36Å; E199-S202 VanDerWaalsContact O-N 3.14Å; E199-S202 PolarHBondContact O-OG 3.31Å; A200-S202 VanDerWaalsContact C-N 3.34Å; A200-S202 PolarHBondContact O-N 2.94Å
203L92.4Very high93.8Very high12 Ų1245.6 Ų45.66%0.06323%0.227CC..Hα-helixtrans-67.4-41.4177-69.3178.7000111.5F146 F178 F180 L194 V198 E199 A200 E201 P206F146-L203 HydrophobicContact CE1-CD1 3.87Å; F146-L203 HydrophobicContact CZ-CD1 4.42Å; F178-L203 HydrophobicContact CD1-CD2 4.19Å; F180-L203 HydrophobicContact CD2-CB 4.1Å; F180-L203 WeakPolarHBondContact CD2-O 3.49Å; F180-L203 HydrophobicContact CE2-CB 4.23Å; L194-L203 HydrophobicContact CD1-CD1 4.33Å; L194-L203 HydrophobicContact CD2-CD1 4.44Å; V198-L203 HydrophobicContact CG1-CD1 3.5Å; V198-L203 VanDerWaalsContact CG1-CD1 3.5Å; V198-L203 HydrophobicContact CG1-CG 4.28Å; E199-L203 PolarHBondContact O-N 2.9Å; A200-L203 PolarHBondContact O-N 2.97Å; E201-L203 VanDerWaalsContact C-N 3.32Å; E201-L203 PolarHBondContact O-N 3.07Å; L203-P206 VanDerWaalsContact O-CD 3.25Å; L203-P206 WeakPolarHBondContact O-CD 3.35Å
204L94.9Very high94Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-86.1-25.2-168.3-73.2176.7000114.2L189 L191 A200 E201 L207 L213 L215 F225 Q228 W229L189-L204 HydrophobicContact CD2-CD2 3.38Å; L191-L204 HydrophobicContact CD1-CD2 3.81Å; L191-L204 HydrophobicContact CD1-CG 4.21Å; A200-L204 HydrophobicContact CB-CD1 4.41Å; A200-L204 VanDerWaalsContact O-CB 3.26Å; A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 WeakPolarHBondContact O-CD1 3.23Å; A200-L204 WeakPolarHBondContact O-CG 3.16Å; A200-L204 PolarHBondContact O-N 3.35Å; A200-L204 VanDerWaalsContact O-N 3.08Å; E201-L204 PolarHBondContact O-N 3.38Å; L204-L207 HydrophobicContact CD2-CD1 3.94Å; L204-L207 WeakPolarHBondContact O-CB 3.3Å; L204-L207 PolarHBondContact O-N 3.4Å; L204-L213 HydrophobicContact CD1-CD1 4.44Å; L204-L213 HydrophobicContact CD1-CD2 4.27Å; L204-L213 HydrophobicContact CD2-CD1 4.1Å; L204-L215 HydrophobicContact CD1-CD2 4.03Å; L204-F225 HydrophobicContact CB-CE2 4.28Å; L204-F225 HydrophobicContact CD1-CE2 3.64Å; L204-F225 HydrophobicContact CD1-CZ 4.18Å; L204-Q228 PolarHBondContact O-NE2 3.3Å; L204-W229 HydrophobicContact CB-CH2 3.95Å; L204-W229 HydrophobicContact CD1-CH2 4.48Å; L204-W229 HydrophobicContact CD2-CH2 4.33Å; L204-W229 HydrophobicContact CG-CH2 4.49Å
205R93.2Very high94.2Very high166 Ų16643.4 Ų43.463%0.62622%0.217SC*.THydrogen-bonded Turntrans-54.8-36.1-178-163173.6-169.9-174.65.3115.6E201 L207 Q228E201-R205 WeakPolarHBondContact O-CB 3.16Å; E201-R205 PolarHBondContact O-N 3.46Å; R205-L207 VanDerWaalsContact C-N 3.27Å; R205-L207 PolarHBondContact O-N 3.11Å; R205-Q228 PolarHBondContact O-OE1 3.49Å
206P95Very high94.4Very high30 Ų3042.7 Ų42.720%0.19521%0.213CC..THydrogen-bonded Turntrans-65.9-25.6175.3-22.734.8000114.2S179 Q181 L203 R208S179-P206 WeakPolarHBondContact OG-CG 3.4Å; Q181-P206 HydrophobicContact CB-CB 4.4Å; L203-P206 VanDerWaalsContact O-CD 3.25Å; L203-P206 WeakPolarHBondContact O-CD 3.35Å; P206-R208 PolarHBondContact O-N 2.99Å
207L96Very high94.7Very high2 Ų240.1 Ų40.11%0.0120%0.199CC..  trans-78.3119.5-172-66.8172.9000111F180 F183 L186 L189 L204 R205 V210 W229F180-L207 HydrophobicContact CB-CD1 4.05Å; F180-L207 HydrophobicContact CB-CD2 3.72Å; F180-L207 HydrophobicContact CB-CG 3.72Å; F180-L207 HydrophobicContact CD2-CD1 4.24Å; F180-L207 HydrophobicContact CG-CD1 4.14Å; F180-L207 HydrophobicContact CG-CD2 4.41Å; F180-L207 HydrophobicContact CG-CG 4.35Å; F183-L207 HydrophobicContact CB-CD2 3.72Å; L186-L207 HydrophobicContact CB-CD2 4.23Å; L186-L207 HydrophobicContact CD2-CD1 4.01Å; L186-L207 HydrophobicContact CD2-CD2 3.87Å; L189-L207 HydrophobicContact CD2-CD1 3.48Å; L189-L207 VanDerWaalsContact CD2-CD1 3.48Å; L204-L207 HydrophobicContact CD2-CD1 3.94Å; L204-L207 WeakPolarHBondContact O-CB 3.3Å; L204-L207 PolarHBondContact O-N 3.4Å; R205-L207 VanDerWaalsContact C-N 3.27Å; R205-L207 PolarHBondContact O-N 3.11Å; L207-V210 HydrophobicContact CB-CG2 3.86Å; L207-V210 HydrophobicContact CD1-CG2 3.98Å; L207-V210 HydrophobicContact CG-CG2 4.49Å; L207-W229 HydrophobicContact CB-CZ2 4.08Å; L207-W229 WeakPolarHBondContact O-CZ2 3.29Å; L207-W229 PolarHBondContact O-NE1 2.99Å
208R91.8Very high94.9Very high156 Ų15636.4 Ų36.459%0.58918%0.179SC*.  trans-96.6-19.9-178.7-59.1-55.1-172.2179.51.8114.1P206 R232P206-R208 PolarHBondContact O-N 2.99Å; R208-R232 PolarHBondContact O-NE 3.42Å; R208-R232 PolarHBondContact O-NH1 3.45Å
209S95.7Very high95Very high19 Ų1943.3 Ų43.313%0.13320%0.204CC..  trans-115.56-160.3-55.70000115.8N184 L186 R187 T211N184-S209 PolarHBondContact O-OG 3.4Å; L186-S209 CarbonylContact O-C 3.59Å; R187-S209 WeakPolarHBondContact CD-O 3.41Å; R187-S209 PolarHBondContact NH1-OG 3.43Å; S209-T211 PolarHBondContact O-N 3.24Å
210V98.1Very high95Very high0 Ų040.5 Ų40.50%019%0.192CC..  trans-58.6133.3-177.8179.70000111.2L207 A212 L213 W229 R232 L233L207-V210 HydrophobicContact CB-CG2 3.86Å; L207-V210 HydrophobicContact CD1-CG2 3.98Å; L207-V210 HydrophobicContact CG-CG2 4.49Å; V210-A212 WeakPolarHBondContact CG1-O 3.29Å; V210-L213 HydrophobicContact CG1-CB 4.01Å; V210-W229 HydrophobicContact CB-CD2 4.17Å; V210-W229 HydrophobicContact CB-CG 4.41Å; V210-W229 HydrophobicContact CB-CZ2 4.08Å; V210-W229 HydrophobicContact CG2-CZ2 3.84Å; V210-R232 WeakPolarHBondContact O-CD 3.36Å; V210-R232 WeakPolarHBondContact O-CG 3.46Å; V210-L233 HydrophobicContact CG1-CD1 3.94Å
211T98.3Very high94.8Very high45 Ų4548 Ų4828%0.27623%0.226SC..SBendtrans-120.4-22.5175.756.90000112.4R187 S209 A234 S235R187-T211 PolarHBondContact O-N 2.85Å; R187-T211 PolarHBondContact O-OG1 3.43Å; S209-T211 PolarHBondContact O-N 3.24Å; T211-A234 PolarHBondContact O-N 2.67Å; T211-S235 PolarHBondContact O-N 3.25Å; T211-S235 VanDerWaalsContact O-N 3.08Å
212A98.7Very high94.6Very high20 Ų2045.6 Ų45.617%0.16522%0.219CC..EExtended strand (participates in β ladder)trans-133.6129.7170.800000109.9R187 L188 L189 V210 S235R187-A212 PolarHBondContact O-N 3.13Å; L188-A212 HydrophobicContact CD2-CB 3.44Å; L188-A212 VanDerWaalsContact CD2-CB 3.44Å; L189-A212 PolarHBondContact N-O 2.72Å; V210-A212 WeakPolarHBondContact CG1-O 3.29Å; A212-S235 WeakPolarHBondContact CA-O 3.32Å
213L98.6Very high94.7Very high3 Ų342.7 Ų42.72%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-133.6128.1-178.5-175.662.6000110.5L189 L204 V210 L215 L226 W229 L233 S235 L236 V237L189-L213 HydrophobicContact CB-CD1 4.14Å; L189-L213 HydrophobicContact CD2-CD1 4.27Å; L189-L213 HydrophobicContact CG-CD1 4.18Å; L189-L213 WeakPolarHBondContact O-CA 3.45Å; L204-L213 HydrophobicContact CD1-CD1 4.44Å; L204-L213 HydrophobicContact CD1-CD2 4.27Å; L204-L213 HydrophobicContact CD2-CD1 4.1Å; V210-L213 HydrophobicContact CG1-CB 4.01Å; L213-L215 HydrophobicContact CD1-CD2 4.11Å; L213-L215 HydrophobicContact CD1-CG 4.4Å; L213-L215 HydrophobicContact CD2-CD1 3.86Å; L213-L215 HydrophobicContact CD2-CD2 4.4Å; L213-L215 HydrophobicContact CD2-CG 4.1Å; L213-L215 HydrophobicContact CG-CD1 4.26Å; L213-L215 HydrophobicContact CG-CD2 4.2Å; L213-L215 HydrophobicContact CG-CG 3.94Å; L213-L226 HydrophobicContact CD2-CD2 3.7Å; L213-W229 HydrophobicContact CD2-CE3 4.47Å; L213-W229 HydrophobicContact CD2-CH2 4.17Å; L213-W229 HydrophobicContact CD2-CZ3 3.66Å; L213-L233 HydrophobicContact CB-CD1 4.15Å; L213-S235 PolarHBondContact N-O 3.49Å; L213-L236 HydrophobicContact CB-CD1 4.3Å; L213-L236 HydrophobicContact CD2-CD1 4.42Å; L213-L236 WeakPolarHBondContact O-CA 3.33Å; L213-V237 PolarHBondContact O-N 2.96Å
214D98.5Very high94.8Very high20 Ų2044.9 Ų44.911%0.10722%0.218CC..EExtended strand (participates in β ladder)trans-115.8120.3172.8-172.5-21.1000110L189 N190 L191 S216 V237L189-D214 PolarHBondContact O-N 2.95Å; N190-D214 HydrophobicContact CB-CB 3.96Å; N190-D214 PolarHBondContact ND2-OD2 3.49Å; L191-D214 PolarHBondContact N-O 3.37Å; D214-S216 WeakPolarHBondContact OD1-CB 3.35Å; D214-S216 PolarHBondContact OD1-N 3.22Å; D214-S216 PolarHBondContact OD1-OG 3.17Å; D214-V237 HydrophobicContact CB-CB 4.02Å
215L97.6Very high94.8Very high0 Ų045.7 Ų45.70%022%0.222CC..  trans-122.932.3178.2-58174.5000110.4L191 L204 L213 N217 V218 L220 F225 L226 V237 L238 V241L191-L215 HydrophobicContact CB-CD2 4.32Å; L204-L215 HydrophobicContact CD1-CD2 4.03Å; L213-L215 HydrophobicContact CD1-CD2 4.11Å; L213-L215 HydrophobicContact CD1-CG 4.4Å; L213-L215 HydrophobicContact CD2-CD1 3.86Å; L213-L215 HydrophobicContact CD2-CD2 4.4Å; L213-L215 HydrophobicContact CD2-CG 4.1Å; L213-L215 HydrophobicContact CG-CD1 4.26Å; L213-L215 HydrophobicContact CG-CD2 4.2Å; L213-L215 HydrophobicContact CG-CG 3.94Å; L215-N217 PolarHBondContact O-N 3.19Å; L215-V218 HydrophobicContact CB-CB 4.12Å; L215-V218 HydrophobicContact CB-CG2 4.02Å; L215-V218 HydrophobicContact CD2-CG2 4.44Å; L215-V218 VanDerWaalsContact O-CB 3.32Å; L215-V218 WeakPolarHBondContact O-CB 3.32Å; L215-V218 WeakPolarHBondContact O-CG2 3.29Å; L215-V218 PolarHBondContact O-N 2.93Å; L215-V218 VanDerWaalsContact O-N 3.09Å; L215-L220 HydrophobicContact CD1-CD2 4.2Å; L215-F225 HydrophobicContact CD1-CZ 4.44Å; L215-L226 HydrophobicContact CD1-CD2 4.27Å; L215-V237 PolarHBondContact N-O 2.79Å; L215-L238 HydrophobicContact CB-CD2 4.13Å; L215-L238 HydrophobicContact CD1-CD2 4.29Å; L215-V241 WeakPolarHBondContact O-CG2 3.28Å
216S96.6Very high95Very high1 Ų137.8 Ų37.81%0.00719%0.192CC..THydrogen-bonded Turntrans-50.2132176.5-660000111G192 Q193 D214 V218 V237 Y239G192-S216 CarbonylContact C-O 3.42Å; G192-S216 WeakPolarHBondContact CA-O 3.48Å; Q193-S216 PolarHBondContact N-O 3.01Å; D214-S216 WeakPolarHBondContact OD1-CB 3.35Å; D214-S216 PolarHBondContact OD1-N 3.22Å; D214-S216 PolarHBondContact OD1-OG 3.17Å; S216-V218 PolarHBondContact O-N 3.27Å; S216-V237 WeakPolarHBondContact OG-CG1 3.19Å; S216-Y239 CarbonylContact C-O 3.33Å; S216-Y239 VanDerWaalsContact CA-O 3.26Å; S216-Y239 WeakPolarHBondContact CA-O 3.25Å
217N94.8Very high95.1Very high46 Ų4638.4 Ų38.425%0.24620%0.195CC..THydrogen-bonded Turntrans57.521.9-179.3-62-75.3000115.4Q193 L215 Y239 N240Q193-N217 HydrophobicContact CG-CB 4.08Å; L215-N217 PolarHBondContact O-N 3.19Å; N217-Y239 PolarHBondContact N-O 2.97Å; N217-N240 VanDerWaalsContact OD1-CB 3.32Å; N217-N240 WeakPolarHBondContact OD1-CB 3.2Å; N217-N240 PolarHBondContact OD1-ND2 3.04Å
218V94.7Very high95.1Very high6 Ų641 Ų414%0.03621%0.207CC..  trans-91.3134.5176.4179.60000110.7L191 L194 A200 L215 S216 L220L191-V218 WeakPolarHBondContact O-CG2 3.39Å; L194-V218 HydrophobicContact CB-CG1 4.26Å; L194-V218 HydrophobicContact CB-CG2 3.7Å; L194-V218 HydrophobicContact CD2-CG1 4.27Å; A200-V218 HydrophobicContact CB-CG1 4.01Å; L215-V218 HydrophobicContact CB-CB 4.12Å; L215-V218 HydrophobicContact CB-CG2 4.02Å; L215-V218 HydrophobicContact CD2-CG2 4.44Å; L215-V218 VanDerWaalsContact O-CB 3.32Å; L215-V218 WeakPolarHBondContact O-CB 3.32Å; L215-V218 WeakPolarHBondContact O-CG2 3.29Å; L215-V218 PolarHBondContact O-N 2.93Å; L215-V218 VanDerWaalsContact O-N 3.09Å; S216-V218 PolarHBondContact O-N 3.27Å; V218-L220 HydrophobicContact CG1-CD2 3.97Å; V218-L220 PolarHBondContact O-N 3.25Å
219R91.9Very high95.3Very high158 Ų15833.6 Ų33.660%0.59618%0.179SC*.  trans-77.3112.7168.8-178.5178.6-78143.811.3110.2D196D196-R219 VanDerWaalsContact CG-NH1 3.32Å; D196-R219 IonicContact OD1-CZ 2.73Å; D196-R219 IonicContact OD1-NH1 3.63Å; D196-R219 IonicContact OD1-NH2 3.05Å; D196-R219 IonicContact OD2-CZ 3.19Å; D196-R219 IonicContact OD2-NH1 3.73Å; D196-R219 PolarHBondContact OD2-NH1 2.85Å; D196-R219 IonicContact OD2-NH2 3.11Å; D196-R219 PolarHBondContact OD2-NH2 2.97Å
220L91.4Very high95.3Very high34 Ų3439.1 Ų39.118%0.17820%0.197CC..  trans-92.6128.4174.8-58-178.5000110.9L215 V218 F225 L238 V241L215-L220 HydrophobicContact CD1-CD2 4.2Å; V218-L220 HydrophobicContact CG1-CD2 3.97Å; V218-L220 PolarHBondContact O-N 3.25Å; L220-F225 HydrophobicContact CD2-CZ 4.45Å; L220-L238 HydrophobicContact CD1-CD2 4.42Å; L220-V241 HydrophobicContact CD1-CG1 3.79Å; L220-V241 HydrophobicContact CG-CG1 4.05Å
221Q87.3Confident95.2Very high162 Ų16244.8 Ų44.876%0.75722%0.224SC*.SBendtrans-80.4-24.4171-61.8-174.215.500112.3
222G88.6Confident95.1Very high16 Ų1648.1 Ų48.117%0.16523%0.231CC..  trans-168.9162.4174.600000109F225 E246G222-F225 WeakPolarHBondContact O-CE1 3.47Å; G222-E246 WeakPolarHBondContact CA-OE1 3.36Å
223A94.3Very high95.1Very high0 Ų047.1 Ų47.10%022%0.223CC..SBendtrans-110.1-12-177.600000113.7F225 L226 E246 V247 T250A223-F225 PolarHBondContact O-N 2.9Å; A223-L226 HydrophobicContact CB-CD1 4.3Å; A223-L226 VanDerWaalsContact O-CB 3.31Å; A223-L226 WeakPolarHBondContact O-CB 3.42Å; A223-L226 VanDerWaalsContact O-CG 3.3Å; A223-L226 WeakPolarHBondContact O-CG 3.2Å; A223-L226 PolarHBondContact O-N 2.57Å; A223-E246 PolarHBondContact N-OE1 3.15Å; A223-V247 HydrophobicContact CB-CB 4.36Å; A223-V247 HydrophobicContact CB-CG2 4.05Å; A223-T250 HydrophobicContact CB-CG2 4.16Å; A223-T250 WeakPolarHBondContact O-CG2 3.29Å
224A95.2Very high95.1Very high58 Ų5848.4 Ų48.448%0.47923%0.234SC..G310 helixtrans-54.3-30.8-170.600000114.2L226 T227A224-L226 PolarHBondContact O-N 2.82Å; A224-T227 WeakPolarHBondContact O-CB 3.24Å; A224-T227 VanDerWaalsContact O-CG2 3.32Å; A224-T227 WeakPolarHBondContact O-CG2 3.45Å; A224-T227 PolarHBondContact O-N 3.09Å; A224-T227 VanDerWaalsContact O-N 3.12Å; A224-T227 PolarHBondContact O-OG1 2.85Å
225F95.4Very high95.1Very high18 Ų1848.8 Ų48.88%0.07924%0.239CC..G310 helixtrans-60.1-26.717873.4-90.8000113.4E201 L204 L215 L220 G222 A223 T227 Q228 W229E201-F225 HydrophobicContact CB-CD1 3.85Å; E201-F225 HydrophobicContact CB-CE1 4.21Å; E201-F225 HydrophobicContact CB-CG 4.07Å; E201-F225 HydrophobicContact CG-CB 3.7Å; E201-F225 HydrophobicContact CG-CD1 3.96Å; E201-F225 HydrophobicContact CG-CD2 4.48Å; E201-F225 HydrophobicContact CG-CG 3.8Å; L204-F225 HydrophobicContact CB-CE2 4.28Å; L204-F225 HydrophobicContact CD1-CE2 3.64Å; L204-F225 HydrophobicContact CD1-CZ 4.18Å; L215-F225 HydrophobicContact CD1-CZ 4.44Å; L220-F225 HydrophobicContact CD2-CZ 4.45Å; G222-F225 WeakPolarHBondContact O-CE1 3.47Å; A223-F225 PolarHBondContact O-N 2.9Å; F225-T227 PolarHBondContact O-N 3.36Å; F225-Q228 WeakPolarHBondContact O-CB 3.18Å; F225-Q228 WeakPolarHBondContact O-CG 3.43Å; F225-Q228 PolarHBondContact O-N 3.47Å; F225-W229 HydrophobicContact CD2-CZ3 4.45Å; F225-W229 HydrophobicContact CE2-CZ3 4.38Å
226L96.9Very high95.1Very high0 Ų048.8 Ų48.80%024%0.239CC..G310 helixtrans-60.6-27.5177.6-62.7176.8000112.3L213 L215 A223 A224 Q228 W229 L236 T250 L254L213-L226 HydrophobicContact CD2-CD2 3.7Å; L215-L226 HydrophobicContact CD1-CD2 4.27Å; A223-L226 HydrophobicContact CB-CD1 4.3Å; A223-L226 VanDerWaalsContact O-CB 3.31Å; A223-L226 WeakPolarHBondContact O-CB 3.42Å; A223-L226 VanDerWaalsContact O-CG 3.3Å; A223-L226 WeakPolarHBondContact O-CG 3.2Å; A223-L226 PolarHBondContact O-N 2.57Å; A224-L226 PolarHBondContact O-N 2.82Å; L226-Q228 PolarHBondContact O-N 2.84Å; L226-Q228 VanDerWaalsContact O-N 3.09Å; L226-W229 HydrophobicContact CD2-CE3 4.37Å; L226-W229 HydrophobicContact CD2-CZ3 3.87Å; L226-W229 PolarHBondContact O-N 2.76Å; L226-L236 HydrophobicContact CD1-CD2 4.3Å; L226-T250 HydrophobicContact CB-CG2 4.05Å; L226-L254 HydrophobicContact CB-CD1 4.46Å
227T96Very high95.2Very high42 Ų4249.8 Ų49.826%0.25825%0.245SC..G310 helixtrans-61.7-18.3-179.964.40000113.2A224 F225 W229 R230 T250 E253A224-T227 WeakPolarHBondContact O-CB 3.24Å; A224-T227 VanDerWaalsContact O-CG2 3.32Å; A224-T227 WeakPolarHBondContact O-CG2 3.45Å; A224-T227 PolarHBondContact O-N 3.09Å; A224-T227 VanDerWaalsContact O-N 3.12Å; A224-T227 PolarHBondContact O-OG1 2.85Å; F225-T227 PolarHBondContact O-N 3.36Å; T227-W229 PolarHBondContact O-N 3.38Å; T227-W229 VanDerWaalsContact O-N 3.1Å; T227-R230 VanDerWaalsContact O-CB 3.29Å; T227-R230 WeakPolarHBondContact O-CB 3.26Å; T227-R230 WeakPolarHBondContact O-CG 3.32Å; T227-R230 PolarHBondContact O-N 3.25Å; T227-T250 HydrophobicContact CG2-CG2 3.78Å; T227-E253 VanDerWaalsContact CG2-OE2 3.3Å; T227-E253 WeakPolarHBondContact CG2-OE2 3.45Å
228Q96.4Very high95.4Very high57 Ų5747.7 Ų47.727%0.26623%0.233SC..G310 helixtrans-59.5-22.5173.878.3178.9-33.500112.9L204 R205 F225 L226L204-Q228 PolarHBondContact O-NE2 3.3Å; R205-Q228 PolarHBondContact O-OE1 3.49Å; F225-Q228 WeakPolarHBondContact O-CB 3.18Å; F225-Q228 WeakPolarHBondContact O-CG 3.43Å; F225-Q228 PolarHBondContact O-N 3.47Å; L226-Q228 PolarHBondContact O-N 2.84Å; L226-Q228 VanDerWaalsContact O-N 3.09Å
229W97.1Very high95.4Very high1 Ų147.4 Ų47.40%0.00423%0.232CC..G310 helixtrans-108.115.5177.2-52.1-60.6000113.7L204 L207 V210 L213 F225 L226 T227 E231 R232 L233L204-W229 HydrophobicContact CB-CH2 3.95Å; L204-W229 HydrophobicContact CD1-CH2 4.48Å; L204-W229 HydrophobicContact CD2-CH2 4.33Å; L204-W229 HydrophobicContact CG-CH2 4.49Å; L207-W229 HydrophobicContact CB-CZ2 4.08Å; L207-W229 WeakPolarHBondContact O-CZ2 3.29Å; L207-W229 PolarHBondContact O-NE1 2.99Å; V210-W229 HydrophobicContact CB-CD2 4.17Å; V210-W229 HydrophobicContact CB-CG 4.41Å; V210-W229 HydrophobicContact CB-CZ2 4.08Å; V210-W229 HydrophobicContact CG2-CZ2 3.84Å; L213-W229 HydrophobicContact CD2-CE3 4.47Å; L213-W229 HydrophobicContact CD2-CH2 4.17Å; L213-W229 HydrophobicContact CD2-CZ3 3.66Å; F225-W229 HydrophobicContact CD2-CZ3 4.45Å; F225-W229 HydrophobicContact CE2-CZ3 4.38Å; L226-W229 HydrophobicContact CD2-CE3 4.37Å; L226-W229 HydrophobicContact CD2-CZ3 3.87Å; L226-W229 PolarHBondContact O-N 2.76Å; T227-W229 PolarHBondContact O-N 3.38Å; T227-W229 VanDerWaalsContact O-N 3.1Å; W229-E231 PolarHBondContact O-N 3.17Å; W229-R232 HydrophobicContact CB-CG 3.95Å; W229-R232 PolarHBondContact O-N 3.31Å; W229-L233 HydrophobicContact CB-CB 3.98Å; W229-L233 HydrophobicContact CB-CD1 4.5Å; W229-L233 WeakPolarHBondContact O-CB 3.18Å; W229-L233 PolarHBondContact O-N 2.78Å
230R95.9Very high95.5Very high134 Ų13441.2 Ų41.251%0.50621%0.21SC..THydrogen-bonded Turntrans-48.5-36.4-177.371.3-175.2-167.2-144.8-2.3114.7T227 L254T227-R230 VanDerWaalsContact O-CB 3.29Å; T227-R230 WeakPolarHBondContact O-CB 3.26Å; T227-R230 WeakPolarHBondContact O-CG 3.32Å; T227-R230 PolarHBondContact O-N 3.25Å; R230-L254 HydrophobicContact CB-CD2 4.16Å
231E95.5Very high95.6Very high120 Ų12039.8 Ų39.856%0.56120%0.203SC*.THydrogen-bonded Turntrans-81.6-11.5-176.9-55.4-58.6155.800113.5W229 N256W229-E231 PolarHBondContact O-N 3.17Å; E231-N256 VanDerWaalsContact C-ND2 3.35Å; E231-N256 PolarHBondContact O-ND2 3.2Å
232R95.8Very high95.8Very high114 Ų11438.1 Ų38.143%0.4320%0.199SC..THydrogen-bonded Turntrans-136.1-20.9-168.371-177.777-160.45.7115.7R208 V210 W229 A234R208-R232 PolarHBondContact O-NE 3.42Å; R208-R232 PolarHBondContact O-NH1 3.45Å; V210-R232 WeakPolarHBondContact O-CD 3.36Å; V210-R232 WeakPolarHBondContact O-CG 3.46Å; W229-R232 HydrophobicContact CB-CG 3.95Å; W229-R232 PolarHBondContact O-N 3.31Å; R232-A234 PolarHBondContact O-N 3.34Å; R232-A234 VanDerWaalsContact O-N 3.17Å
233L98.4Very high95.9Very high0 Ų037.9 Ų37.90%019%0.194CC..  trans-68.3116-177.3-162.673.6000109.3V210 L213 W229 L236 L254 N256 L257V210-L233 HydrophobicContact CG1-CD1 3.94Å; L213-L233 HydrophobicContact CB-CD1 4.15Å; W229-L233 HydrophobicContact CB-CB 3.98Å; W229-L233 HydrophobicContact CB-CD1 4.5Å; W229-L233 WeakPolarHBondContact O-CB 3.18Å; W229-L233 PolarHBondContact O-N 2.78Å; L233-L236 HydrophobicContact CD2-CB 4.07Å; L233-L236 HydrophobicContact CD2-CD1 4.31Å; L233-L236 HydrophobicContact CD2-CD2 4.45Å; L233-L254 HydrophobicContact CD2-CD1 3.94Å; L233-N256 CarbonylContact O-C 3.59Å; L233-L257 HydrophobicContact CD2-CD2 4.3Å; L233-L257 HydrophobicContact CG-CD2 4.29Å
234A98.6Very high95.8Very high30 Ų3040 Ų4025%0.24821%0.209CC..  trans-105.9-22.5-177.400000112.1T211 R232 R258 H259T211-A234 PolarHBondContact O-N 2.67Å; R232-A234 PolarHBondContact O-N 3.34Å; R232-A234 VanDerWaalsContact O-N 3.17Å; A234-R258 WeakPolarHBondContact O-CA 3.36Å; A234-R258 PolarHBondContact O-N 2.85Å; A234-H259 PolarHBondContact O-N 2.81Å
235S98.8Very high95.5Very high28 Ų2845.6 Ų45.620%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-136.3130.3178175.20000110.9T211 A212 L213 H259T211-S235 PolarHBondContact O-N 3.25Å; T211-S235 VanDerWaalsContact O-N 3.08Å; A212-S235 WeakPolarHBondContact CA-O 3.32Å; L213-S235 PolarHBondContact N-O 3.49Å; S235-H259 WeakPolarHBondContact CA-O 3.35Å
236L98.8Very high95.4Very high0 Ų049.4 Ų49.40%024%0.243CC..EExtended strand (participates in β ladder)trans-136.7122.5175.817962.1000109.4L213 L226 L233 L238 V251 L254 L257 H259 L260 D261L213-L236 HydrophobicContact CB-CD1 4.3Å; L213-L236 HydrophobicContact CD2-CD1 4.42Å; L213-L236 WeakPolarHBondContact O-CA 3.33Å; L226-L236 HydrophobicContact CD1-CD2 4.3Å; L233-L236 HydrophobicContact CD2-CB 4.07Å; L233-L236 HydrophobicContact CD2-CD1 4.31Å; L233-L236 HydrophobicContact CD2-CD2 4.45Å; L236-L238 HydrophobicContact CD1-CD2 4Å; L236-L238 HydrophobicContact CD1-CG 4.28Å; L236-L238 HydrophobicContact CD2-CD1 4.08Å; L236-L238 HydrophobicContact CD2-CG 4.28Å; L236-L238 HydrophobicContact CG-CD1 4.35Å; L236-L238 HydrophobicContact CG-CD2 4.28Å; L236-L238 HydrophobicContact CG-CG 4Å; L236-V251 HydrophobicContact CD2-CG2 4.07Å; L236-L254 HydrophobicContact CD2-CD1 3.8Å; L236-L257 HydrophobicContact CB-CD2 3.77Å; L236-H259 PolarHBondContact N-O 2.56Å; L236-L260 HydrophobicContact CB-CD1 4.49Å; L236-D261 PolarHBondContact O-N 3.01Å
237V98.5Very high95.3Very high22 Ų2249.7 Ų49.713%0.13325%0.245CC..EExtended strand (participates in β ladder)trans-112.8119.9175.9-179.90000109.9L213 D214 L215 S216 D261L213-V237 PolarHBondContact O-N 2.96Å; D214-V237 HydrophobicContact CB-CB 4.02Å; L215-V237 PolarHBondContact N-O 2.79Å; S216-V237 WeakPolarHBondContact OG-CG1 3.19Å; V237-D261 HydrophobicContact CB-CB 4.18Å; V237-D261 HydrophobicContact CG1-CB 3.94Å; V237-D261 HydrophobicContact CG2-CB 4.07Å
238L97.4Very high95.3Very high1 Ų148.4 Ų48.41%0.00524%0.237CC..  trans-122.936.8178.8-59.7178.7000110.4L215 L220 L236 N240 V241 V247 V251 D261 L262L215-L238 HydrophobicContact CB-CD2 4.13Å; L215-L238 HydrophobicContact CD1-CD2 4.29Å; L220-L238 HydrophobicContact CD1-CD2 4.42Å; L236-L238 HydrophobicContact CD1-CD2 4Å; L236-L238 HydrophobicContact CD1-CG 4.28Å; L236-L238 HydrophobicContact CD2-CD1 4.08Å; L236-L238 HydrophobicContact CD2-CG 4.28Å; L236-L238 HydrophobicContact CG-CD1 4.35Å; L236-L238 HydrophobicContact CG-CD2 4.28Å; L236-L238 HydrophobicContact CG-CG 4Å; L238-N240 PolarHBondContact O-N 3.13Å; L238-V241 HydrophobicContact CB-CB 4.04Å; L238-V241 HydrophobicContact CB-CG2 3.94Å; L238-V241 HydrophobicContact CD2-CG2 4.23Å; L238-V241 WeakPolarHBondContact O-CB 3.33Å; L238-V241 WeakPolarHBondContact O-CG2 3.27Å; L238-V241 PolarHBondContact O-N 3.07Å; L238-V241 VanDerWaalsContact O-N 3.1Å; L238-V247 HydrophobicContact CD1-CG1 4.07Å; L238-V251 HydrophobicContact CD1-CG2 4.07Å; L238-D261 WeakPolarHBondContact CA-O 3.49Å; L238-D261 WeakPolarHBondContact CB-O 3.5Å; L238-D261 PolarHBondContact N-O 2.88Å; L238-L262 HydrophobicContact CB-CD2 4.27Å; L238-L262 HydrophobicContact CD1-CD2 3.89Å
239Y96.3Very high95.3Very high1 Ų147.1 Ų47.10%0.00424%0.24CC..THydrogen-bonded Turntrans-55.3126.2179.5167.6-116.2000110.1S216 N217 V241 S263 R375 E377 L378S216-Y239 CarbonylContact C-O 3.33Å; S216-Y239 VanDerWaalsContact CA-O 3.26Å; S216-Y239 WeakPolarHBondContact CA-O 3.25Å; N217-Y239 PolarHBondContact N-O 2.97Å; Y239-V241 PolarHBondContact O-N 3.47Å; Y239-V241 VanDerWaalsContact O-N 3.14Å; Y239-S263 CarbonylContact C-O 3.34Å; Y239-S263 VanDerWaalsContact CA-O 3.28Å; Y239-S263 WeakPolarHBondContact CA-O 3.45Å; Y239-S263 VanDerWaalsContact CD2-OG 3.28Å; Y239-S263 WeakPolarHBondContact CD2-OG 3.38Å; Y239-R375 HydrophobicContact CD1-CG 3.88Å; Y239-R375 HydrophobicContact CD2-CG 4.49Å; Y239-R375 HydrophobicContact CE1-CB 4.14Å; Y239-R375 HydrophobicContact CE1-CG 3.64Å; Y239-R375 HydrophobicContact CE2-CG 4.28Å; Y239-R375 HydrophobicContact CG-CG 4.3Å; Y239-E377 PolarHBondContact OH-OE2 3.39Å; Y239-L378 HydrophobicContact CE2-CD1 3.88Å; Y239-L378 HydrophobicContact CE2-CG 4.45Å
240N93.8Very high95.3Very high27 Ų2747.6 Ų47.614%0.14424%0.242CC..THydrogen-bonded Turntrans58.123.8178.8-150.438.9000114.9N217 L238 S263N217-N240 VanDerWaalsContact OD1-CB 3.32Å; N217-N240 WeakPolarHBondContact OD1-CB 3.2Å; N217-N240 PolarHBondContact OD1-ND2 3.04Å; L238-N240 PolarHBondContact O-N 3.13Å; N240-S263 PolarHBondContact N-O 3.02Å
241V93.8Very high95.3Very high5 Ų541.3 Ų41.33%0.0322%0.219CC..  trans-82.3139.9168177.40000109.5L215 L220 L238 Y239 L243L215-V241 WeakPolarHBondContact O-CG2 3.28Å; L220-V241 HydrophobicContact CD1-CG1 3.79Å; L220-V241 HydrophobicContact CG-CG1 4.05Å; L238-V241 HydrophobicContact CB-CB 4.04Å; L238-V241 HydrophobicContact CB-CG2 3.94Å; L238-V241 HydrophobicContact CD2-CG2 4.23Å; L238-V241 WeakPolarHBondContact O-CB 3.33Å; L238-V241 WeakPolarHBondContact O-CG2 3.27Å; L238-V241 PolarHBondContact O-N 3.07Å; L238-V241 VanDerWaalsContact O-N 3.1Å; Y239-V241 PolarHBondContact O-N 3.47Å; Y239-V241 VanDerWaalsContact O-N 3.14Å; V241-L243 PolarHBondContact O-N 3.02Å
242D90.7Very high95.4Very high126 Ų12636.8 Ų36.867%0.67420%0.199SC*.  trans-68.599.5174.7-81.6-32000110.9
243L90.9Very high95.5Very high12 Ų1236.4 Ų36.46%0.06320%0.202CC..  trans-68.7141.6177.4-57.1-177.6000111.2V241 V247 L262 F272V241-L243 PolarHBondContact O-N 3.02Å; L243-V247 HydrophobicContact CD2-CG1 3.95Å; L243-L262 HydrophobicContact CD1-CB 4.17Å; L243-L262 HydrophobicContact CD1-CD2 4.42Å; L243-L262 HydrophobicContact CD2-CD2 4.02Å; L243-F272 HydrophobicContact CB-CB 4.35Å; L243-F272 HydrophobicContact CB-CD1 3.7Å; L243-F272 HydrophobicContact CB-CD2 3.98Å; L243-F272 HydrophobicContact CB-CE1 3.89Å; L243-F272 HydrophobicContact CB-CE2 4.15Å; L243-F272 HydrophobicContact CB-CG 3.74Å; L243-F272 HydrophobicContact CB-CZ 4.09Å; L243-F272 HydrophobicContact CD1-CD1 4.08Å; L243-F272 HydrophobicContact CD1-CE1 3.75Å; L243-F272 HydrophobicContact CD1-CZ 4.33Å; L243-F272 HydrophobicContact CG-CD1 4.45Å; L243-F272 HydrophobicContact CG-CE1 4.47Å; L243-F272 WeakPolarHBondContact O-CB 3.28Å; L243-F272 WeakPolarHBondContact O-CD2 3.41Å; L243-F272 WeakPolarHBondContact O-CG 3.48Å
244S91.5Very high95.4Very high45 Ų4536.4 Ų36.432%0.31520%0.202SC..  trans-134.6170172.1740000109.6E246 V247 V248S244-E246 PolarHBondContact O-N 3.06Å; S244-E246 PolarHBondContact OG-N 2.6Å; S244-V247 PolarHBondContact O-N 3.37Å; S244-V247 WeakPolarHBondContact OG-CG2 3.5Å; S244-V247 PolarHBondContact OG-N 2.77Å; S244-V248 WeakPolarHBondContact O-CG2 3.49Å; S244-V248 PolarHBondContact O-N 3.19Å
245E90.2Very high95.3Very high174 Ų17437.7 Ų37.781%0.81321%0.206SC*.Hα-helixtrans-59.2-33.5173.3-66-168162.100112.1G249E245-G249 PolarHBondContact O-N 3.37Å
246E92.9Very high95.3Very high98 Ų9838.9 Ų38.946%0.45821%0.21SC..Hα-helixtrans-65.6-46.7175.5-173-158.514200111.9G222 A223 S244 G249 T250G222-E246 WeakPolarHBondContact CA-OE1 3.36Å; A223-E246 PolarHBondContact N-OE1 3.15Å; S244-E246 PolarHBondContact O-N 3.06Å; S244-E246 PolarHBondContact OG-N 2.6Å; E246-G249 PolarHBondContact O-N 2.96Å; E246-T250 PolarHBondContact O-N 2.64Å; E246-T250 PolarHBondContact O-OG1 2.93Å
247V94.8Very high95.2Very high7 Ų738.9 Ų38.94%0.04221%0.21CC..Hα-helixtrans-61.5-48.1178.3175.80000109.9A223 L238 L243 S244 G249 T250 V251A223-V247 HydrophobicContact CB-CB 4.36Å; A223-V247 HydrophobicContact CB-CG2 4.05Å; L238-V247 HydrophobicContact CD1-CG1 4.07Å; L243-V247 HydrophobicContact CD2-CG1 3.95Å; S244-V247 PolarHBondContact O-N 3.37Å; S244-V247 WeakPolarHBondContact OG-CG2 3.5Å; S244-V247 PolarHBondContact OG-N 2.77Å; V247-G249 VanDerWaalsContact C-N 3.35Å; V247-G249 PolarHBondContact O-N 2.9Å; V247-T250 PolarHBondContact O-N 3.35Å; V247-V251 WeakPolarHBondContact O-CG2 3.26Å; V247-V251 PolarHBondContact O-N 3.32Å
248V94.9Very high95.2Very high14 Ų1444 Ų449%0.08523%0.227CC..Hα-helixtrans-61.2-44.6177.3173.40000110.8S244 T250 V251 L252 F272 I278S244-V248 WeakPolarHBondContact O-CG2 3.49Å; S244-V248 PolarHBondContact O-N 3.19Å; V248-T250 VanDerWaalsContact C-N 3.31Å; V248-T250 PolarHBondContact O-N 3.24Å; V248-V251 PolarHBondContact O-N 3.01Å; V248-L252 HydrophobicContact CG1-CD1 4.11Å; V248-L252 HydrophobicContact CG1-CG 4.49Å; V248-L252 VanDerWaalsContact O-CG 3.27Å; V248-L252 WeakPolarHBondContact O-CG 3.43Å; V248-L252 PolarHBondContact O-N 2.96Å; V248-F272 HydrophobicContact CG2-CE2 3.98Å; V248-F272 HydrophobicContact CG2-CZ 3.83Å; V248-I278 HydrophobicContact CG1-CG2 3.98Å
249G96.2Very high95.3Very high31 Ų3147.4 Ų47.432%0.3224%0.243SC..Hα-helixtrans-55.8-46.517600000112E245 E246 V247 L252 E253E245-G249 PolarHBondContact O-N 3.37Å; E246-G249 PolarHBondContact O-N 2.96Å; V247-G249 VanDerWaalsContact C-N 3.35Å; V247-G249 PolarHBondContact O-N 2.9Å; G249-L252 WeakPolarHBondContact O-CB 3.48Å; G249-L252 PolarHBondContact O-N 2.96Å; G249-E253 PolarHBondContact O-N 2.96Å
250T97.2Very high95.4Very high10 Ų1047.4 Ų47.46%0.06124%0.243CC..Hα-helixtrans-63.6-44.1177-56.40000112.1A223 L226 T227 E246 V247 V248 L252 E253A223-T250 HydrophobicContact CB-CG2 4.16Å; A223-T250 WeakPolarHBondContact O-CG2 3.29Å; L226-T250 HydrophobicContact CB-CG2 4.05Å; T227-T250 HydrophobicContact CG2-CG2 3.78Å; E246-T250 PolarHBondContact O-N 2.64Å; E246-T250 PolarHBondContact O-OG1 2.93Å; V247-T250 PolarHBondContact O-N 3.35Å; V248-T250 VanDerWaalsContact C-N 3.31Å; V248-T250 PolarHBondContact O-N 3.24Å; T250-L252 PolarHBondContact O-N 3.45Å; T250-E253 WeakPolarHBondContact O-CB 3.23Å; T250-E253 PolarHBondContact O-N 3.4Å
251V97.6Very high95.6Very high2 Ų246.9 Ų46.91%0.01224%0.24CC..Hα-helixtrans-57.7-37.31771690000111.4L236 L238 V247 V248 E253 L254 L257 L260 L282 L286L236-V251 HydrophobicContact CD2-CG2 4.07Å; L238-V251 HydrophobicContact CD1-CG2 4.07Å; V247-V251 WeakPolarHBondContact O-CG2 3.26Å; V247-V251 PolarHBondContact O-N 3.32Å; V248-V251 PolarHBondContact O-N 3.01Å; V251-E253 PolarHBondContact O-N 3.5Å; V251-L254 WeakPolarHBondContact O-CB 3.27Å; V251-L254 PolarHBondContact O-N 3.16Å; V251-L254 VanDerWaalsContact O-N 3.13Å; V251-L257 HydrophobicContact CG1-CD1 4.21Å; V251-L260 HydrophobicContact CG1-CD1 3.9Å; V251-L260 HydrophobicContact CG1-CD2 3.74Å; V251-L282 HydrophobicContact CG1-CD2 4.12Å; V251-L286 HydrophobicContact CG1-CD1 4.26Å
252L97Very high95.8Very high26 Ų2646.9 Ų46.914%0.13624%0.24CC..Hα-helixtrans-69.9-16.1178.4-67.3169.4000114.3V248 G249 T250 V281 L282 R285V248-L252 HydrophobicContact CG1-CD1 4.11Å; V248-L252 HydrophobicContact CG1-CG 4.49Å; V248-L252 VanDerWaalsContact O-CG 3.27Å; V248-L252 WeakPolarHBondContact O-CG 3.43Å; V248-L252 PolarHBondContact O-N 2.96Å; G249-L252 WeakPolarHBondContact O-CB 3.48Å; G249-L252 PolarHBondContact O-N 2.96Å; T250-L252 PolarHBondContact O-N 3.45Å; L252-V281 HydrophobicContact CD1-CG1 3.59Å; L252-V281 HydrophobicContact CD2-CG1 3.84Å; L252-V281 HydrophobicContact CG-CG1 4.36Å; L252-L282 HydrophobicContact CD2-CD2 3.75Å; L252-L282 HydrophobicContact CD2-CG 4.22Å; L252-L282 HydrophobicContact CG-CD2 4.41Å; L252-R285 HydrophobicContact CD2-CB 3.9Å; L252-R285 HydrophobicContact CD2-CG 4.11Å
253E96.9Very high96Very high106 Ų10641 Ų4150%0.49521%0.208SC..Hα-helixtrans-81.8-18.7172.3-63.5-175.5-16600112.5T227 G249 T250 V251 V255T227-E253 VanDerWaalsContact CG2-OE2 3.3Å; T227-E253 WeakPolarHBondContact CG2-OE2 3.45Å; G249-E253 PolarHBondContact O-N 2.96Å; T250-E253 WeakPolarHBondContact O-CB 3.23Å; T250-E253 PolarHBondContact O-N 3.4Å; V251-E253 PolarHBondContact O-N 3.5Å; E253-V255 PolarHBondContact O-N 2.91Å
254L97.8Very high96.1Very high0 Ų041 Ų410%021%0.208CC..  trans-84.260.7-179.4-54.4173.1000110.7L226 R230 L233 L236 V251 N256 L257 L286L226-L254 HydrophobicContact CB-CD1 4.46Å; R230-L254 HydrophobicContact CB-CD2 4.16Å; L233-L254 HydrophobicContact CD2-CD1 3.94Å; L236-L254 HydrophobicContact CD2-CD1 3.8Å; V251-L254 WeakPolarHBondContact O-CB 3.27Å; V251-L254 PolarHBondContact O-N 3.16Å; V251-L254 VanDerWaalsContact O-N 3.13Å; L254-N256 PolarHBondContact O-N 2.6Å; L254-L257 HydrophobicContact CB-CD1 3.66Å; L254-L257 HydrophobicContact CB-CG 3.79Å; L254-L257 HydrophobicContact CD1-CD1 4.19Å; L254-L257 WeakPolarHBondContact O-CB 3.37Å; L254-L257 VanDerWaalsContact O-CG 3.24Å; L254-L257 WeakPolarHBondContact O-CG 3.34Å; L254-L257 PolarHBondContact O-N 2.94Å; L254-L286 WeakPolarHBondContact O-CD2 3.26Å
255V96.1Very high96Very high56 Ų5640.8 Ų40.834%0.33920%0.202SC..THydrogen-bonded Turntrans-61.6-20.3-168.6-62.80000115E253 L257 H288E253-V255 PolarHBondContact O-N 2.91Å; V255-L257 VanDerWaalsContact C-N 3.3Å; V255-H288 PolarHBondContact O-CD2 3.32Å
256N97.2Very high95.3Very high53 Ų5334.8 Ų34.828%0.28318%0.179SC..THydrogen-bonded Turntrans-864178.8-69.5-28.4000113.9E231 L233 L254 R258E231-N256 VanDerWaalsContact C-ND2 3.35Å; E231-N256 PolarHBondContact O-ND2 3.2Å; L233-N256 CarbonylContact O-C 3.59Å; L254-N256 PolarHBondContact O-N 2.6Å; N256-R258 PolarHBondContact O-N 2.93Å
257L98.4Very high94.3Very high0 Ų036.6 Ų36.60%018%0.182CC..  trans-59.2131.3176.4-78174000111.8L233 L236 V251 L254 V255 L260 L286 H288 L289L233-L257 HydrophobicContact CD2-CD2 4.3Å; L233-L257 HydrophobicContact CG-CD2 4.29Å; L236-L257 HydrophobicContact CB-CD2 3.77Å; V251-L257 HydrophobicContact CG1-CD1 4.21Å; L254-L257 HydrophobicContact CB-CD1 3.66Å; L254-L257 HydrophobicContact CB-CG 3.79Å; L254-L257 HydrophobicContact CD1-CD1 4.19Å; L254-L257 WeakPolarHBondContact O-CB 3.37Å; L254-L257 VanDerWaalsContact O-CG 3.24Å; L254-L257 WeakPolarHBondContact O-CG 3.34Å; L254-L257 PolarHBondContact O-N 2.94Å; V255-L257 VanDerWaalsContact C-N 3.3Å; L257-L260 HydrophobicContact CD1-CD1 4.27Å; L257-L286 HydrophobicContact CD1-CD1 4.37Å; L257-H288 CarbonylContact O-C 3.54Å; L257-H288 VanDerWaalsContact O-C 3.3Å; L257-L289 PolarHBondContact O-N 2.68Å
258R98.4Very high92.5Very high130 Ų13047.7 Ų47.749%0.49122%0.223SC..SBendtrans-109.6-32.2173.4-63.3179.462.7-174.4-3.4111.6A234 N256 H288 V290 S291A234-R258 WeakPolarHBondContact O-CA 3.36Å; A234-R258 PolarHBondContact O-N 2.85Å; N256-R258 PolarHBondContact O-N 2.93Å; R258-H288 HydrophobicContact CG-CB 4.36Å; R258-V290 HydrophobicContact CB-CG2 4.34Å; R258-V290 WeakPolarHBondContact O-CA 3.24Å; R258-V290 PolarHBondContact O-N 3.04Å; R258-S291 PolarHBondContact O-N 3.5Å
259H98.6Very high90.9Very high72 Ų7254.7 Ų54.733%0.33326%0.26SS..EExtended strand (participates in β ladder)trans-126.1116.3178.6-54.1-88.8000108.6A234 S235 L236 S291A234-H259 PolarHBondContact O-N 2.81Å; S235-H259 WeakPolarHBondContact CA-O 3.35Å; L236-H259 PolarHBondContact N-O 2.56Å; H259-S291 VanDerWaalsContact ND1-CB 3.26Å; H259-S291 WeakPolarHBondContact ND1-CB 3.44Å
260L98.8Very high89.6Confident2 Ų254.6 Ų54.61%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-124.5124.3176.9176.561000109.1L236 V251 L257 L262 L282 L286 L289 S291 L292 D293L236-L260 HydrophobicContact CB-CD1 4.49Å; V251-L260 HydrophobicContact CG1-CD1 3.9Å; V251-L260 HydrophobicContact CG1-CD2 3.74Å; L257-L260 HydrophobicContact CD1-CD1 4.27Å; L260-L262 HydrophobicContact CD1-CD2 3.89Å; L260-L262 HydrophobicContact CD1-CG 4.04Å; L260-L262 HydrophobicContact CD2-CD1 4.07Å; L260-L262 HydrophobicContact CD2-CG 4.22Å; L260-L262 HydrophobicContact CG-CD1 4.39Å; L260-L262 HydrophobicContact CG-CD2 4.39Å; L260-L262 HydrophobicContact CG-CG 3.97Å; L260-L282 HydrophobicContact CD2-CD2 4.03Å; L260-L286 HydrophobicContact CD2-CD1 3.65Å; L260-L289 HydrophobicContact CB-CD2 3.79Å; L260-S291 PolarHBondContact N-O 2.94Å; L260-L292 HydrophobicContact CB-CD1 4.25Å; L260-L292 HydrophobicContact CD2-CD1 4.1Å; L260-L292 HydrophobicContact CG-CD1 4.19Å; L260-L292 CarbonylContact O-C 3.22Å; L260-L292 VanDerWaalsContact O-CA 3.31Å; L260-L292 WeakPolarHBondContact O-CA 3.48Å; L260-D293 PolarHBondContact O-N 3.11Å
261D98.4Very high88.6Confident15 Ų1564.6 Ų64.68%0.0830%0.295CS..EExtended strand (participates in β ladder)trans-118.8116.5173.5-166-46.1000109.7L236 V237 L238 S263 D293 R375L236-D261 PolarHBondContact O-N 3.01Å; V237-D261 HydrophobicContact CB-CB 4.18Å; V237-D261 HydrophobicContact CG1-CB 3.94Å; V237-D261 HydrophobicContact CG2-CB 4.07Å; L238-D261 WeakPolarHBondContact CA-O 3.49Å; L238-D261 WeakPolarHBondContact CB-O 3.5Å; L238-D261 PolarHBondContact N-O 2.88Å; D261-S263 WeakPolarHBondContact OD1-CB 3.32Å; D261-S263 PolarHBondContact OD1-N 3.33Å; D261-S263 PolarHBondContact OD1-OG 3.49Å; D261-D293 HydrophobicContact CB-CB 4.22Å; D261-D293 WeakPolarHBondContact OD2-CB 3.43Å; D261-R375 IonicContact OD1-NH1 2.87Å; D261-R375 IonicContact OD1-NH2 3.62Å; D261-R375 IonicContact OD2-CZ 3.77Å; D261-R375 IonicContact OD2-NH1 3.43Å; D261-R375 PolarHBondContact OD2-NH1 3.48Å; D261-R375 IonicContact OD2-NH2 3.33Å; D261-R375 PolarHBondContact OD2-NH2 3.09Å
262L97Very high88Confident6 Ų665.6 Ų65.63%0.03130%0.3CS..  trans-116.614.2174.6-61.5179.9000110.5L238 L243 L260 M274 L282 D293 H297L238-L262 HydrophobicContact CB-CD2 4.27Å; L238-L262 HydrophobicContact CD1-CD2 3.89Å; L243-L262 HydrophobicContact CD1-CB 4.17Å; L243-L262 HydrophobicContact CD1-CD2 4.42Å; L243-L262 HydrophobicContact CD2-CD2 4.02Å; L260-L262 HydrophobicContact CD1-CD2 3.89Å; L260-L262 HydrophobicContact CD1-CG 4.04Å; L260-L262 HydrophobicContact CD2-CD1 4.07Å; L260-L262 HydrophobicContact CD2-CG 4.22Å; L260-L262 HydrophobicContact CG-CD1 4.39Å; L260-L262 HydrophobicContact CG-CD2 4.39Å; L260-L262 HydrophobicContact CG-CG 3.97Å; L262-M274 HydrophobicContact CD1-CE 4.46Å; L262-L282 HydrophobicContact CD1-CD1 3.98Å; L262-D293 CarbonylContact C-O 3.44Å; L262-D293 PolarHBondContact N-O 3.42Å; L262-H297 PolarHBondContact O-CD2 2.93Å; L262-H297 PolarHBondContact O-NE2 3.41Å
263S95.5Very high87.4Confident1 Ų168.9 Ų68.91%0.00731%0.313CS..  trans-64.4164.5-174.266.40000111.9Y239 N240 D261 D293 S295 R375Y239-S263 CarbonylContact C-O 3.34Å; Y239-S263 VanDerWaalsContact CA-O 3.28Å; Y239-S263 WeakPolarHBondContact CA-O 3.45Å; Y239-S263 VanDerWaalsContact CD2-OG 3.28Å; Y239-S263 WeakPolarHBondContact CD2-OG 3.38Å; N240-S263 PolarHBondContact N-O 3.02Å; D261-S263 WeakPolarHBondContact OD1-CB 3.32Å; D261-S263 PolarHBondContact OD1-N 3.33Å; D261-S263 PolarHBondContact OD1-OG 3.49Å; S263-D293 WeakPolarHBondContact CB-OD1 3.39Å; S263-D293 PolarHBondContact N-O 2.88Å; S263-S295 CarbonylContact C-O 3.11Å; S263-S295 VanDerWaalsContact CA-O 3.31Å; S263-S295 WeakPolarHBondContact CA-O 3.47Å; S263-R375 PolarHBondContact OG-NH1 3.16Å
264R92.3Very high87Confident13 Ų1363.9 Ų63.95%0.04929%0.29CS..  trans-153.6165.2-179.563.9178.7-59130.210.4111.5S295 G296R264-S295 PolarHBondContact N-O 2.61Å; R264-G296 WeakPolarHBondContact CG-O 3.38Å; R264-G296 WeakPolarHBondContact O-CA 3.2Å
265E89Confident86.7Confident40 Ų4065.4 Ų65.419%0.18730%0.299CS..  trans-70.1130.1162.7-164-165.4-179.100109.8R267 E377E265-R267 PolarHBondContact O-N 3.27Å; E265-R267 VanDerWaalsContact O-N 3.16Å; E265-R267 IonicContact OE2-CZ 3.59Å; E265-R267 VanDerWaalsContact OE2-CZ 3.25Å; E265-R267 IonicContact OE2-NE 2.59Å; E265-R267 PolarHBondContact OE2-NE 2.85Å; E265-R267 IonicContact OE2-NH2 4Å; E265-R267 PolarHBondContact OE2-NH2 2.69Å; E265-E377 HydrophobicContact CG-CB 4.42Å
266S76.3Confident86.5Confident49 Ų4967.3 Ų67.334%0.34330%0.3SS..  trans-66111.3175.9-176.80000110.7
267R72.4Confident86.3Confident135 Ų13572.7 Ų72.751%0.50932%0.321SS..  trans-125.8145.3179.2-64.9-177.1-178.1-176.20.2110.3E265 N269 V270E265-R267 PolarHBondContact O-N 3.27Å; E265-R267 VanDerWaalsContact O-N 3.16Å; E265-R267 IonicContact OE2-CZ 3.59Å; E265-R267 VanDerWaalsContact OE2-CZ 3.25Å; E265-R267 IonicContact OE2-NE 2.59Å; E265-R267 PolarHBondContact OE2-NE 2.85Å; E265-R267 IonicContact OE2-NH2 4Å; E265-R267 PolarHBondContact OE2-NH2 2.69Å; R267-N269 PolarHBondContact O-N 3.48Å; R267-V270 HydrophobicContact CB-CG2 4.27Å; R267-V270 WeakPolarHBondContact O-CG2 3.05Å
268R57.5Low86.1Confident241 Ų24174.3 Ų74.391%0.90933%0.329SS*.SBendtrans-70.1-26.8-174.3-68.4-175.9-179.9-178.70.6114.6
269N61.1Low85.9Confident161 Ų16168.1 Ų68.186%0.86131%0.306SS*.  trans-118.772.3-172.5-71.7-15.6000112R267R267-N269 PolarHBondContact O-N 3.48Å
270V67.9Low85.7Confident28 Ų2866.2 Ų66.217%0.1730%0.299CS..  trans-102.7132.5178.2-169.80000110.7R267 F272R267-V270 HydrophobicContact CB-CG2 4.27Å; R267-V270 WeakPolarHBondContact O-CG2 3.05Å; V270-F272 WeakPolarHBondContact CG1-O 3.28Å
271K76.3Confident85.5Confident220 Ų22068.5 Ų68.596%0.95731%0.313SS*.SBendtrans-68.2-44.7176.2-67.4-179.7179.7175.10112.2
272F84.9Confident85.4Confident24 Ų2467.8 Ų67.811%0.10531%0.309CS..  trans-89.4137177.2-177.3-88.4000111.6L243 V248 V270 M274 I278L243-F272 HydrophobicContact CB-CB 4.35Å; L243-F272 HydrophobicContact CB-CD1 3.7Å; L243-F272 HydrophobicContact CB-CD2 3.98Å; L243-F272 HydrophobicContact CB-CE1 3.89Å; L243-F272 HydrophobicContact CB-CE2 4.15Å; L243-F272 HydrophobicContact CB-CG 3.74Å; L243-F272 HydrophobicContact CB-CZ 4.09Å; L243-F272 HydrophobicContact CD1-CD1 4.08Å; L243-F272 HydrophobicContact CD1-CE1 3.75Å; L243-F272 HydrophobicContact CD1-CZ 4.33Å; L243-F272 HydrophobicContact CG-CD1 4.45Å; L243-F272 HydrophobicContact CG-CE1 4.47Å; L243-F272 WeakPolarHBondContact O-CB 3.28Å; L243-F272 WeakPolarHBondContact O-CD2 3.41Å; L243-F272 WeakPolarHBondContact O-CG 3.48Å; V248-F272 HydrophobicContact CG2-CE2 3.98Å; V248-F272 HydrophobicContact CG2-CZ 3.83Å; V270-F272 WeakPolarHBondContact CG1-O 3.28Å; F272-M274 HydrophobicContact CE1-CE 4.26Å; F272-I278 HydrophobicContact CE2-CD1 4.04Å; F272-I278 HydrophobicContact CZ-CD1 3.73Å
273K84.4Confident85.3Confident95 Ų9567.7 Ų67.741%0.41331%0.309SS..  trans-130.2137.9175.8-63.3-178.8179.4177.90109.6L300K273-L300 HydrophobicContact CB-CD1 3.54Å; K273-L300 HydrophobicContact CB-CG 3.75Å; K273-L300 HydrophobicContact CD-CD1 3.66Å; K273-L300 HydrophobicContact CD-CD2 3.51Å; K273-L300 HydrophobicContact CD-CG 3.62Å; K273-L300 HydrophobicContact CG-CD1 4.23Å; K273-L300 HydrophobicContact CG-CG 4.32Å
274M89.6Confident85.3Confident1 Ų171.8 Ų71.81%0.00533%0.328CS..BIsolated β-bridgetrans-72.7131.7177.7-17062.170.700109.6L262 F272 I278 I294 H297 M299 L300L262-M274 HydrophobicContact CD1-CE 4.46Å; F272-M274 HydrophobicContact CE1-CE 4.26Å; M274-I278 HydrophobicContact SD-CB 4.03Å; M274-I278 HydrophobicContact SD-CG2 3.6Å; M274-I278 VanDerWaalsContact SD-CG2 3.6Å; M274-I294 HydrophobicContact CE-CG2 4.36Å; M274-H297 HydrophobicContact CB-CB 4.03Å; M274-M299 HydrophobicContact CB-CE 3.86Å; M274-M299 HydrophobicContact CB-SD 3.77Å; M274-M299 HydrophobicContact CG-CE 3.94Å; M274-M299 HydrophobicContact CG-SD 3.73Å; M274-L300 PolarHBondContact O-N 3.03Å
275T91.3Very high85.5Confident31 Ų3178 Ų7819%0.1935%0.351CS..  trans-116.9160.6-18063.50000110.6K277 I278 L279 L300 D301T275-K277 PolarHBondContact O-N 3.1Å; T275-I278 PolarHBondContact O-N 3.2Å; T275-I278 WeakPolarHBondContact OG1-CD1 3.45Å; T275-I278 VanDerWaalsContact OG1-CG1 3.3Å; T275-I278 WeakPolarHBondContact OG1-CG1 3.32Å; T275-I278 PolarHBondContact OG1-N 2.98Å; T275-L279 PolarHBondContact O-N 2.73Å; T275-L279 VanDerWaalsContact O-N 3.17Å; T275-L300 HydrophobicContact CG2-CD1 4.23Å; T275-D301 WeakPolarHBondContact CB-OD2 3.29Å
276R91.8Very high85.9Confident97 Ų9776.1 Ų76.137%0.36634%0.343SS..Hα-helixtrans-56.9-42.3175.3-172-165.3-76.5-170.2-3110.3I278 L279 T280 D301 N302 P326R276-I278 PolarHBondContact O-N 3.43Å; R276-L279 PolarHBondContact O-N 2.75Å; R276-T280 WeakPolarHBondContact O-CB 3.46Å; R276-T280 PolarHBondContact O-N 3.36Å; R276-T280 PolarHBondContact O-OG1 2.94Å; R276-D301 HydrophobicContact CB-CB 3.89Å; R276-D301 PolarHBondContact N-OD2 2.78Å; R276-N302 VanDerWaalsContact CZ-O 3.26Å; R276-N302 PolarHBondContact NE-O 3.14Å; R276-N302 PolarHBondContact NH2-O 3.07Å; R276-P326 HydrophobicContact CG-CG 3.7Å
277K92.3Very high86.8Confident165 Ų16577.1 Ų77.172%0.71734%0.344SS*.Hα-helixtrans-59.8-47.2-179.7-174.9-179.5177-174.50112.2T275 T280 V281T275-K277 PolarHBondContact O-N 3.1Å; K277-T280 PolarHBondContact O-N 3.05Å; K277-V281 VanDerWaalsContact O-CG2 3.29Å; K277-V281 WeakPolarHBondContact O-CG2 3.39Å; K277-V281 PolarHBondContact O-N 2.91Å
278I93.5Very high87.9Confident35 Ų3574.9 Ų74.918%0.17934%0.339CS..Hα-helixtrans-63-47.4-179.9-68167.7000110.2V248 F272 M274 T275 R276 T280 V281 L282V248-I278 HydrophobicContact CG1-CG2 3.98Å; F272-I278 HydrophobicContact CE2-CD1 4.04Å; F272-I278 HydrophobicContact CZ-CD1 3.73Å; M274-I278 HydrophobicContact SD-CB 4.03Å; M274-I278 HydrophobicContact SD-CG2 3.6Å; M274-I278 VanDerWaalsContact SD-CG2 3.6Å; T275-I278 PolarHBondContact O-N 3.2Å; T275-I278 WeakPolarHBondContact OG1-CD1 3.45Å; T275-I278 VanDerWaalsContact OG1-CG1 3.3Å; T275-I278 WeakPolarHBondContact OG1-CG1 3.32Å; T275-I278 PolarHBondContact OG1-N 2.98Å; R276-I278 PolarHBondContact O-N 3.43Å; I278-T280 PolarHBondContact O-N 2.79Å; I278-V281 PolarHBondContact O-N 3.39Å; I278-L282 HydrophobicContact CG2-CD1 3.99Å; I278-L282 HydrophobicContact CG2-CG 4.44Å; I278-L282 WeakPolarHBondContact O-CG 3.3Å; I278-L282 PolarHBondContact O-N 3.48Å
279L94.4Very high89.9Confident0 Ų063.8 Ų63.80%030%0.298CS..Hα-helixtrans-63.4-40.7180-171.359.8000112.1T275 R276 L282 V283 L292 I294 P326 L344T275-L279 PolarHBondContact O-N 2.73Å; T275-L279 VanDerWaalsContact O-N 3.17Å; R276-L279 PolarHBondContact O-N 2.75Å; L279-L282 PolarHBondContact O-N 2.98Å; L279-V283 WeakPolarHBondContact O-CG2 3.19Å; L279-V283 PolarHBondContact O-N 3.31Å; L279-V283 VanDerWaalsContact O-N 3.11Å; L279-L292 HydrophobicContact CD1-CD2 4.04Å; L279-I294 HydrophobicContact CD1-CD1 4.2Å; L279-I294 HydrophobicContact CD2-CD1 4.22Å; L279-P326 HydrophobicContact CB-CB 3.96Å; L279-P326 HydrophobicContact CB-CG 4.14Å; L279-P326 HydrophobicContact CD2-CB 3.83Å; L279-P326 HydrophobicContact CD2-CG 3.99Å; L279-P326 HydrophobicContact CG-CB 3.64Å; L279-P326 HydrophobicContact CG-CG 4.15Å; L279-L344 HydrophobicContact CD2-CD1 4.47Å
280T94.8Very high91.6Very high32 Ų3257.3 Ų57.320%0.19626%0.264CS..Hα-helixtrans-60.6-46.9175.2-64.60000111.3R276 K277 I278 L282 V283 Q284R276-T280 WeakPolarHBondContact O-CB 3.46Å; R276-T280 PolarHBondContact O-N 3.36Å; R276-T280 PolarHBondContact O-OG1 2.94Å; K277-T280 PolarHBondContact O-N 3.05Å; I278-T280 PolarHBondContact O-N 2.79Å; T280-L282 PolarHBondContact O-N 3.36Å; T280-V283 PolarHBondContact O-N 2.99Å; T280-Q284 HydrophobicContact CG2-CG 4.33Å; T280-Q284 WeakPolarHBondContact O-CB 3.36Å; T280-Q284 WeakPolarHBondContact O-CG 3.15Å; T280-Q284 PolarHBondContact O-N 3.33Å
281V95.5Very high93.1Very high49 Ų4957 Ų5730%0.29726%0.263SS..Hα-helixtrans-66.4-38.6-179.3175.90000111.4L252 K277 I278 V283 Q284 R285L252-V281 HydrophobicContact CD1-CG1 3.59Å; L252-V281 HydrophobicContact CD2-CG1 3.84Å; L252-V281 HydrophobicContact CG-CG1 4.36Å; K277-V281 VanDerWaalsContact O-CG2 3.29Å; K277-V281 WeakPolarHBondContact O-CG2 3.39Å; K277-V281 PolarHBondContact O-N 2.91Å; I278-V281 PolarHBondContact O-N 3.39Å; V281-V283 PolarHBondContact O-N 3.38Å; V281-Q284 PolarHBondContact O-N 2.89Å; V281-R285 HydrophobicContact CG1-CG 3.92Å; V281-R285 VanDerWaalsContact O-CB 3.29Å; V281-R285 WeakPolarHBondContact O-CB 3.39Å; V281-R285 WeakPolarHBondContact O-CG 3.13Å; V281-R285 PolarHBondContact O-N 3.25Å
282L95.9Very high94.1Very high0 Ų046.6 Ų46.60%022%0.218CC..Hα-helixtrans-56.3-51173.6-76.7167.9000111.4V251 L252 L260 L262 I278 L279 T280 Q284 R285 L286V251-L282 HydrophobicContact CG1-CD2 4.12Å; L252-L282 HydrophobicContact CD2-CD2 3.75Å; L252-L282 HydrophobicContact CD2-CG 4.22Å; L252-L282 HydrophobicContact CG-CD2 4.41Å; L260-L282 HydrophobicContact CD2-CD2 4.03Å; L262-L282 HydrophobicContact CD1-CD1 3.98Å; I278-L282 HydrophobicContact CG2-CD1 3.99Å; I278-L282 HydrophobicContact CG2-CG 4.44Å; I278-L282 WeakPolarHBondContact O-CG 3.3Å; I278-L282 PolarHBondContact O-N 3.48Å; L279-L282 PolarHBondContact O-N 2.98Å; T280-L282 PolarHBondContact O-N 3.36Å; L282-Q284 PolarHBondContact O-N 3.14Å; L282-R285 PolarHBondContact O-N 3.16Å; L282-L286 HydrophobicContact CD2-CD1 3.96Å; L282-L286 VanDerWaalsContact O-CB 3.29Å; L282-L286 WeakPolarHBondContact O-CB 3.38Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 3.21Å
283V95.4Very high94.8Very high4 Ų445.6 Ų45.62%0.02421%0.213CC..Hα-helixtrans-64-42.2-179.5171.10000112L279 T280 V281 L327 E329 L330L279-V283 WeakPolarHBondContact O-CG2 3.19Å; L279-V283 PolarHBondContact O-N 3.31Å; L279-V283 VanDerWaalsContact O-N 3.11Å; T280-V283 PolarHBondContact O-N 2.99Å; V281-V283 PolarHBondContact O-N 3.38Å; V283-L327 HydrophobicContact CG2-CD2 3.89Å; V283-E329 HydrophobicContact CG1-CB 3.79Å; V283-L330 HydrophobicContact CG1-CB 4.37Å; V283-L330 HydrophobicContact CG1-CD2 3.71Å; V283-L330 HydrophobicContact CG1-CG 3.71Å; V283-L330 HydrophobicContact CG2-CD2 4.32Å; V283-L330 HydrophobicContact CG2-CG 4.49Å
284Q95.3Very high95.3Very high88 Ų8841.1 Ų41.141%0.41119%0.194SC..Hα-helixtrans-70.5-32.6-178.7-74.2178.8-21.700113.3T280 V281 L282 L287 E329T280-Q284 HydrophobicContact CG2-CG 4.33Å; T280-Q284 WeakPolarHBondContact O-CB 3.36Å; T280-Q284 WeakPolarHBondContact O-CG 3.15Å; T280-Q284 PolarHBondContact O-N 3.33Å; V281-Q284 PolarHBondContact O-N 2.89Å; L282-Q284 PolarHBondContact O-N 3.14Å; Q284-L287 VanDerWaalsContact O-CD2 3.23Å; Q284-L287 WeakPolarHBondContact O-CD2 3.4Å; Q284-E329 HydrophobicContact CG-CB 4.19Å; Q284-E329 HydrophobicContact CG-CG 4.33Å; Q284-E329 PolarHBondContact NE2-OE2 3.35Å; Q284-E329 VanDerWaalsContact NE2-OE2 3.16Å
285R96.2Very high95.6Very high142 Ų14241.1 Ų41.154%0.53619%0.194SC..Hα-helixtrans-88.6-39.8-177.5-65-68.9-69.9-154.1-5.1112.5L252 V281 L282 L287L252-R285 HydrophobicContact CD2-CB 3.9Å; L252-R285 HydrophobicContact CD2-CG 4.11Å; V281-R285 HydrophobicContact CG1-CG 3.92Å; V281-R285 VanDerWaalsContact O-CB 3.29Å; V281-R285 WeakPolarHBondContact O-CB 3.39Å; V281-R285 WeakPolarHBondContact O-CG 3.13Å; V281-R285 PolarHBondContact O-N 3.25Å; L282-R285 PolarHBondContact O-N 3.16Å; R285-L287 PolarHBondContact O-N 3.49Å
286L96.8Very high95.6Very high2 Ų239.8 Ų39.81%0.0119%0.186CC..  trans-93.968.7-174.7-53.9-179.4000111.1V251 L254 L257 L260 L282 H288 L289V251-L286 HydrophobicContact CG1-CD1 4.26Å; L254-L286 WeakPolarHBondContact O-CD2 3.26Å; L257-L286 HydrophobicContact CD1-CD1 4.37Å; L260-L286 HydrophobicContact CD2-CD1 3.65Å; L282-L286 HydrophobicContact CD2-CD1 3.96Å; L282-L286 VanDerWaalsContact O-CB 3.29Å; L282-L286 WeakPolarHBondContact O-CB 3.38Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 3.21Å; L286-H288 PolarHBondContact O-N 2.74Å; L286-H288 VanDerWaalsContact O-N 3.11Å; L286-L289 HydrophobicContact CB-CD1 3.65Å; L286-L289 HydrophobicContact CB-CD2 4.43Å; L286-L289 HydrophobicContact CB-CG 3.67Å; L286-L289 HydrophobicContact CD1-CD1 4.13Å; L286-L289 HydrophobicContact CD1-CG 4.48Å; L286-L289 WeakPolarHBondContact O-CG 3.37Å; L286-L289 PolarHBondContact O-N 2.53Å
287L95.6Very high95.6Very high69 Ų6935.4 Ų35.436%0.36117%0.17SC..THydrogen-bonded Turntrans-66.9-14.6-171.8-60.3176.3000114.7Q284 R285 K331Q284-L287 VanDerWaalsContact O-CD2 3.23Å; Q284-L287 WeakPolarHBondContact O-CD2 3.4Å; R285-L287 PolarHBondContact O-N 3.49Å; L287-K331 HydrophobicContact CD2-CD 4.26Å
288H96.7Very high95.3Very high89 Ų8931.6 Ų31.641%0.41216%0.157SC..THydrogen-bonded Turntrans-95.21.7-179.4-64.8-69.8000113.5V255 L257 R258 L286 V290V255-H288 PolarHBondContact O-CD2 3.32Å; L257-H288 CarbonylContact O-C 3.54Å; L257-H288 VanDerWaalsContact O-C 3.3Å; R258-H288 HydrophobicContact CG-CB 4.36Å; L286-H288 PolarHBondContact O-N 2.74Å; L286-H288 VanDerWaalsContact O-N 3.11Å; H288-V290 PolarHBondContact O-N 3.3Å
289L97.6Very high94.9Very high7 Ų731 Ų314%0.03715%0.154CC..  trans-56.3132.1179.5-76.4175.6000112.2L257 L260 L286 L334L257-L289 PolarHBondContact O-N 2.68Å; L260-L289 HydrophobicContact CB-CD2 3.79Å; L286-L289 HydrophobicContact CB-CD1 3.65Å; L286-L289 HydrophobicContact CB-CD2 4.43Å; L286-L289 HydrophobicContact CB-CG 3.67Å; L286-L289 HydrophobicContact CD1-CD1 4.13Å; L286-L289 HydrophobicContact CD1-CG 4.48Å; L286-L289 WeakPolarHBondContact O-CG 3.37Å; L286-L289 PolarHBondContact O-N 2.53Å; L289-L334 HydrophobicContact CB-CD2 4.05Å
290V98.1Very high93.9Very high26 Ų2635.5 Ų35.516%0.15818%0.177CC..SBendtrans-118.5-30174.4178.20000109.6R258 H288 Q335 F336R258-V290 HydrophobicContact CB-CG2 4.34Å; R258-V290 WeakPolarHBondContact O-CA 3.24Å; R258-V290 PolarHBondContact O-N 3.04Å; H288-V290 PolarHBondContact O-N 3.3Å; V290-Q335 HydrophobicContact CG1-CB 3.72Å; V290-Q335 HydrophobicContact CG1-CG 3.43Å; V290-Q335 VanDerWaalsContact CG1-CG 3.43Å; V290-Q335 PolarHBondContact O-N 3.25Å; V290-F336 PolarHBondContact O-N 2.82Å
291S98.6Very high93.1Very high21 Ų2137.4 Ų37.415%0.14719%0.186CC..EExtended strand (participates in β ladder)trans-137130.8179.6-178.10000110.1R258 H259 L260 F336R258-S291 PolarHBondContact O-N 3.5Å; H259-S291 VanDerWaalsContact ND1-CB 3.26Å; H259-S291 WeakPolarHBondContact ND1-CB 3.44Å; L260-S291 PolarHBondContact N-O 2.94Å; S291-F336 WeakPolarHBondContact CA-O 3.36Å; S291-F336 VanDerWaalsContact OG-CD1 3.26Å; S291-F336 WeakPolarHBondContact OG-CD1 3.31Å
292L98.6Very high92.3Very high2 Ų241.3 Ų41.31%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-131.9129.7172.3176.662.9000109.1L260 L279 I294 L334 F336 L337 G338L260-L292 HydrophobicContact CB-CD1 4.25Å; L260-L292 HydrophobicContact CD2-CD1 4.1Å; L260-L292 HydrophobicContact CG-CD1 4.19Å; L260-L292 CarbonylContact O-C 3.22Å; L260-L292 VanDerWaalsContact O-CA 3.31Å; L260-L292 WeakPolarHBondContact O-CA 3.48Å; L279-L292 HydrophobicContact CD1-CD2 4.04Å; L292-I294 HydrophobicContact CD1-CG2 4.04Å; L292-I294 HydrophobicContact CD2-CG2 4.4Å; L292-I294 HydrophobicContact CG-CG2 4.11Å; L292-L334 HydrophobicContact CB-CD1 3.93Å; L292-F336 PolarHBondContact N-O 3.29Å; L292-F336 VanDerWaalsContact N-O 3.14Å; L292-L337 HydrophobicContact CB-CD1 4.01Å; L292-L337 HydrophobicContact CD2-CD1 4.18Å; L292-L337 HydrophobicContact CG-CD1 4.21Å; L292-L337 CarbonylContact O-C 3.32Å; L292-L337 VanDerWaalsContact O-CA 3.28Å; L292-L337 WeakPolarHBondContact O-CA 3.37Å; L292-G338 PolarHBondContact O-N 3.4Å
293D98.3Very high91.8Very high2 Ų241.4 Ų41.41%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-120.4121.9171.2-163.7-13.3000110.3L260 D261 L262 S263 S295 F336 G338 Y371 R375L260-D293 PolarHBondContact O-N 3.11Å; D261-D293 HydrophobicContact CB-CB 4.22Å; D261-D293 WeakPolarHBondContact OD2-CB 3.43Å; L262-D293 CarbonylContact C-O 3.44Å; L262-D293 PolarHBondContact N-O 3.42Å; S263-D293 WeakPolarHBondContact CB-OD1 3.39Å; S263-D293 PolarHBondContact N-O 2.88Å; D293-S295 WeakPolarHBondContact OD1-CB 3.36Å; D293-S295 PolarHBondContact OD1-N 2.95Å; D293-S295 PolarHBondContact OD1-OG 3.35Å; D293-F336 HydrophobicContact CB-CE1 4.12Å; D293-G338 WeakPolarHBondContact OD1-CA 3.21Å; D293-Y371 PolarHBondContact OD1-OH 3.4Å; D293-Y371 VanDerWaalsContact OD2-CE1 3.26Å; D293-Y371 WeakPolarHBondContact OD2-CE1 3.24Å; D293-Y371 PolarHBondContact OD2-OH 2.9Å; D293-R375 IonicContact OD2-NH1 3.21Å; D293-R375 PolarHBondContact OD2-NH1 3.37Å
294I96.2Very high91.4Very high2 Ų243 Ų431%0.0122%0.216CC..  trans-128.324176.158.6170000110.7M274 L279 L292 H297 M299 G338 L339 T342 L344M274-I294 HydrophobicContact CE-CG2 4.36Å; L279-I294 HydrophobicContact CD1-CD1 4.2Å; L279-I294 HydrophobicContact CD2-CD1 4.22Å; L292-I294 HydrophobicContact CD1-CG2 4.04Å; L292-I294 HydrophobicContact CD2-CG2 4.4Å; L292-I294 HydrophobicContact CG-CG2 4.11Å; I294-H297 PolarHBondContact O-CD2 2.6Å; I294-H297 PolarHBondContact O-N 3.25Å; I294-M299 HydrophobicContact CD1-CE 4.27Å; I294-G338 WeakPolarHBondContact CG1-O 3.47Å; I294-G338 PolarHBondContact N-O 2.87Å; I294-L339 HydrophobicContact CD1-CD2 3.86Å; I294-L339 HydrophobicContact CG1-CD2 3.78Å; I294-T342 WeakPolarHBondContact O-CG2 3.31Å; I294-L344 HydrophobicContact CD1-CD1 3.95Å
295S95.6Very high90.7Very high0 Ų040.9 Ų40.90%021%0.207CC..THydrogen-bonded Turntrans-57.1144.7179.5-58.90000111.8S263 R264 D293 H297 G338 L339 Y340 Y371S263-S295 CarbonylContact C-O 3.11Å; S263-S295 VanDerWaalsContact CA-O 3.31Å; S263-S295 WeakPolarHBondContact CA-O 3.47Å; R264-S295 PolarHBondContact N-O 2.61Å; D293-S295 WeakPolarHBondContact OD1-CB 3.36Å; D293-S295 PolarHBondContact OD1-N 2.95Å; D293-S295 PolarHBondContact OD1-OG 3.35Å; S295-H297 VanDerWaalsContact C-N 3.3Å; S295-H297 PolarHBondContact O-N 3.42Å; S295-G338 PolarHBondContact N-O 3Å; S295-G338 PolarHBondContact OG-O 2.82Å; S295-L339 PolarHBondContact OG-N 3.33Å; S295-Y340 CarbonylContact C-O 3.51Å; S295-Y340 WeakPolarHBondContact CA-O 3.43Å; S295-Y340 WeakPolarHBondContact CB-O 3.23Å; S295-Y340 PolarHBondContact OG-N 2.87Å; S295-Y371 PolarHBondContact OG-OH 3.31Å
296G91.9Very high89.6Confident3 Ų336.3 Ų36.33%0.03120%0.195CC..THydrogen-bonded Turntrans77.12.217800000116.2R264 Y340R264-G296 WeakPolarHBondContact CG-O 3.38Å; R264-G296 WeakPolarHBondContact O-CA 3.2Å; G296-Y340 PolarHBondContact N-O 3.03Å
297H91Very high88.2Confident5 Ų543.8 Ų43.82%0.02323%0.23CC..PPolyproline II helixtrans-82.5140.5174.6-79.2-78.9000113L262 M274 I294 S295 M299L262-H297 PolarHBondContact O-CD2 2.93Å; L262-H297 PolarHBondContact O-NE2 3.41Å; M274-H297 HydrophobicContact CB-CB 4.03Å; I294-H297 PolarHBondContact O-CD2 2.6Å; I294-H297 PolarHBondContact O-N 3.25Å; S295-H297 VanDerWaalsContact C-N 3.3Å; S295-H297 PolarHBondContact O-N 3.42Å; H297-M299 HydrophobicContact CB-CE 3.45Å; H297-M299 VanDerWaalsContact CB-CE 3.45Å
298I86.4Confident86.6Confident85 Ų8548.6 Ų48.644%0.43625%0.248SC..PPolyproline II helixtrans-86124.7167.8-58.3173.3000108.5
299M84.9Confident84.8Confident23 Ų2349 Ų4911%0.11325%0.25CS..BIsolated β-bridgetrans-87.2123.8176.2-56.3-60.4140.900110M274 I294 H297 T342 L344M274-M299 HydrophobicContact CB-CE 3.86Å; M274-M299 HydrophobicContact CB-SD 3.77Å; M274-M299 HydrophobicContact CG-CE 3.94Å; M274-M299 HydrophobicContact CG-SD 3.73Å; I294-M299 HydrophobicContact CD1-CE 4.27Å; H297-M299 HydrophobicContact CB-CE 3.45Å; H297-M299 VanDerWaalsContact CB-CE 3.45Å; M299-T342 HydrophobicContact CE-CG2 4.43Å; M299-L344 HydrophobicContact CE-CD1 4.08Å; M299-L344 HydrophobicContact CG-CD1 4.03Å; M299-L344 HydrophobicContact CG-CD2 4.05Å; M299-L344 HydrophobicContact CG-CG 3.89Å; M299-L344 HydrophobicContact SD-CD1 3.93Å; M299-L344 HydrophobicContact SD-CG 4.46Å
300L72.8Confident83.2Confident95 Ų9550.1 Ų50.150%0.49726%0.255SS..  trans-82.1-33.7179.3-81.5176.1000114.1K273 M274 T275K273-L300 HydrophobicContact CB-CD1 3.54Å; K273-L300 HydrophobicContact CB-CG 3.75Å; K273-L300 HydrophobicContact CD-CD1 3.66Å; K273-L300 HydrophobicContact CD-CD2 3.51Å; K273-L300 HydrophobicContact CD-CG 3.62Å; K273-L300 HydrophobicContact CG-CD1 4.23Å; K273-L300 HydrophobicContact CG-CG 4.32Å; M274-L300 PolarHBondContact O-N 3.03Å; T275-L300 HydrophobicContact CG2-CD1 4.23Å
301D77.4Confident81.2Confident72 Ų7251.6 Ų51.639%0.38527%0.27SS..SBendtrans-104.1153.7-176.4-52.8-42.2000109.9T275 R276 C303T275-D301 WeakPolarHBondContact CB-OD2 3.29Å; R276-D301 HydrophobicContact CB-CB 3.89Å; R276-D301 PolarHBondContact N-OD2 2.78Å; D301-C303 VanDerWaalsContact C-N 3.27Å; D301-C303 PolarHBondContact O-N 3.4Å; D301-C303 PolarHBondContact O-SG 3Å; D301-C303 VanDerWaalsContact O-SG 3.36Å
302N79.6Confident79.4Confident130 Ų13058.1 Ų58.170%0.69531%0.309SS*.  trans-62.188.3169.4-87.5-1.4000109.6R276 T304R276-N302 VanDerWaalsContact CZ-O 3.26Å; R276-N302 PolarHBondContact NE-O 3.14Å; R276-N302 PolarHBondContact NH2-O 3.07Å; N302-T304 PolarHBondContact O-N 2.94Å
303C85.8Confident77.9Confident3 Ų360.4 Ų60.42%0.0233%0.333CS..  trans-79.7-8.2178-64.20000112.2D301 I324 Y325 L344D301-C303 VanDerWaalsContact C-N 3.27Å; D301-C303 PolarHBondContact O-N 3.4Å; D301-C303 PolarHBondContact O-SG 3Å; D301-C303 VanDerWaalsContact O-SG 3.36Å; C303-I324 CarbonylContact O-C 3.59Å; C303-I324 WeakPolarHBondContact O-CA 3.16Å; C303-Y325 PolarHBondContact O-N 3.44Å; C303-L344 HydrophobicContact CB-CD2 3.8Å
304T86.7Confident77Confident38 Ų3871.3 Ų71.323%0.23337%0.374CS..BIsolated β-bridgetrans-106.5150.7-173.1580000111.7N302 S323 Y325 L344 V347N302-T304 PolarHBondContact O-N 2.94Å; T304-S323 CarbonylContact C-O 3.48Å; T304-S323 VanDerWaalsContact CA-O 3.23Å; T304-S323 WeakPolarHBondContact CA-O 3.33Å; T304-Y325 WeakPolarHBondContact O-CE2 3.31Å; T304-L344 HydrophobicContact CG2-CD2 3.62Å; T304-V347 HydrophobicContact CG2-CG1 3.52Å
305M79.9Confident76.4Confident43 Ų4376.3 Ų76.321%0.21241%0.406CS..  trans-62.3142.9167.3-67.2-124.2-63.800110.5E309 S323 Y325M305-E309 HydrophobicContact CE-CB 4.48Å; M305-E309 WeakPolarHBondContact CE-O 3.33Å; M305-S323 PolarHBondContact N-O 2.82Å; M305-Y325 HydrophobicContact CG-CD1 4.29Å; M305-Y325 HydrophobicContact CG-CE1 3.61Å; M305-Y325 HydrophobicContact CG-CE2 4.3Å; M305-Y325 HydrophobicContact SD-CE1 3.68Å
306P73.6Confident76.2Confident46 Ų4677.4 Ų77.430%0.29941%0.414SS..  trans-60.9145.2173.4-19.631000112F308 E309 E310 Y325P306-F308 HydrophobicContact CB-CD1 3.7Å; P306-F308 HydrophobicContact CB-CE1 3.33Å; P306-F308 HydrophobicContact CB-CZ 3.96Å; P306-F308 HydrophobicContact CG-CE1 4.02Å; P306-F308 HydrophobicContact CG-CZ 4.24Å; P306-F308 PolarHBondContact O-N 3.01Å; P306-F308 VanDerWaalsContact O-N 3.07Å; P306-E309 PolarHBondContact O-N 3.14Å; P306-E310 PolarHBondContact O-N 2.86Å; P306-Y325 WeakPolarHBondContact CD-OH 3.26Å
307H66.1Low76.3Confident159 Ų15979.7 Ų79.774%0.73643%0.427SS*.THydrogen-bonded Turntrans-57.5-25.8-177.1-82.2-56.3000115.3E309 E310H307-E309 VanDerWaalsContact C-N 3.34Å; H307-E310 IonicContact CE1-OE2 3.94Å; H307-E310 IonicContact ND1-OE2 3.34Å; H307-E310 PolarHBondContact ND1-OE2 3.45Å; H307-E310 VanDerWaalsContact ND1-OE2 3.08Å
308F61.9Low76.5Confident170 Ų17083.6 Ų83.675%0.74645%0.446SS*.THydrogen-bonded Turntrans-78.9-18.5177.768-92.4000113.4P306P306-F308 HydrophobicContact CB-CD1 3.7Å; P306-F308 HydrophobicContact CB-CE1 3.33Å; P306-F308 HydrophobicContact CB-CZ 3.96Å; P306-F308 HydrophobicContact CG-CE1 4.02Å; P306-F308 HydrophobicContact CG-CZ 4.24Å; P306-F308 PolarHBondContact O-N 3.01Å; P306-F308 VanDerWaalsContact O-N 3.07Å
309E59.7Low76.9Confident97 Ų9780.3 Ų80.345%0.45343%0.43SS..THydrogen-bonded Turntrans-100.3-5.2175.6-54.6-174.6164.500112M305 P306 H307 A311M305-E309 HydrophobicContact CE-CB 4.48Å; M305-E309 WeakPolarHBondContact CE-O 3.33Å; P306-E309 PolarHBondContact O-N 3.14Å; H307-E309 VanDerWaalsContact C-N 3.34Å; E309-A311 PolarHBondContact O-N 2.83Å; E309-A311 VanDerWaalsContact O-N 3.09Å
310E63.2Low77.3Confident30 Ų3083.5 Ų83.514%0.1445%0.453CS..SBendtrans-65.5112.8177.4-163.1168.4-164.800108.4P306 H307 V312 T348P306-E310 PolarHBondContact O-N 2.86Å; H307-E310 IonicContact CE1-OE2 3.94Å; H307-E310 IonicContact ND1-OE2 3.34Å; H307-E310 PolarHBondContact ND1-OE2 3.45Å; H307-E310 VanDerWaalsContact ND1-OE2 3.08Å; E310-V312 PolarHBondContact O-N 2.97Å; E310-V312 VanDerWaalsContact O-N 3.11Å; E310-T348 WeakPolarHBondContact OE1-CB 3.45Å; E310-T348 PolarHBondContact OE1-N 2.85Å; E310-T348 PolarHBondContact OE1-OG1 2.85Å
311A57.7Low78.2Confident58 Ų5884 Ų8448%0.47945%0.451SS..  trans-56.5121.1-174.500000110E309 G313 H349E309-A311 PolarHBondContact O-N 2.83Å; E309-A311 VanDerWaalsContact O-N 3.09Å; A311-G313 PolarHBondContact O-N 2.65Å; A311-H349 PolarHBondContact O-NE2 3.24Å
312V60.3Low78.9Confident158 Ų15880.6 Ų80.696%0.95843%0.433SS*.SBendtrans-67.399.3173.7-172.90000107.1E310E310-V312 PolarHBondContact O-N 2.97Å; E310-V312 VanDerWaalsContact O-N 3.11Å
313G67.8Low79.5Confident49 Ų4974.5 Ų74.551%0.50540%0.401SS..SBendtrans-173.4171.6-173.400000113.7A311A311-G313 PolarHBondContact O-N 2.65Å
314R77.9Confident79.9Confident232 Ų23274.3 Ų74.388%0.87540%0.4SS*.SBendtrans-64.7144.4174.6-68.1-177.5-179.4179.3-0.3109.9S316 H349R314-S316 PolarHBondContact O-N 2.91Å; R314-H349 PolarHBondContact O-CE1 2.85Å; R314-H349 VanDerWaalsContact O-CE1 3.26Å
315P85.3Confident80.2Confident106 Ų10675.5 Ų75.569%0.68840%0.4SS*.  trans-48.6137.9173.1-27.735.1000111.4T348P315-T348 HydrophobicContact CG-CG2 4.41Å
316S90.8Very high80.9Confident23 Ų2373.5 Ų73.516%0.16139%0.39CS..  trans-127138.5-178.9-176.80000109R314 E318 H349R314-S316 PolarHBondContact O-N 2.91Å; S316-E318 PolarHBondContact OG-N 2.85Å; S316-H349 PolarHBondContact N-ND1 3.33Å
317T94.5Very high81.9Confident52 Ų5271.4 Ų71.432%0.31938%0.377SS..  trans-93.8-0.9175.758.20000112.4P319 P333 P351 A352T317-P319 WeakPolarHBondContact O-CD 3.44Å; T317-P333 WeakPolarHBondContact O-CB 3.44Å; T317-P351 VanDerWaalsContact O-CA 3.27Å; T317-P351 WeakPolarHBondContact O-CA 3.39Å; T317-P351 WeakPolarHBondContact O-CB 3.29Å; T317-A352 WeakPolarHBondContact CG2-O 3.42Å
318E94.6Very high83.2Confident87 Ų8767 Ų6741%0.40736%0.356SS..  trans-69.8124.7178.5-71.1172.5-144.100110.7S316 C320 K321S316-E318 PolarHBondContact OG-N 2.85Å; E318-C320 VanDerWaalsContact C-N 3.33Å; E318-C320 PolarHBondContact O-N 3.17Å; E318-K321 HydrophobicContact CB-CB 4.47Å; E318-K321 HydrophobicContact CB-CD 4.23Å; E318-K321 HydrophobicContact CB-CG 4.44Å; E318-K321 PolarHBondContact O-N 3.01Å; E318-K321 IonicContact OE1-NZ 3.6Å; E318-K321 PolarHBondContact OE1-NZ 3.43Å; E318-K321 WeakPolarHBondContact OE2-CD 3.35Å; E318-K321 WeakPolarHBondContact OE2-CE 3.17Å; E318-K321 IonicContact OE2-NZ 3.25Å; E318-K321 PolarHBondContact OE2-NZ 2.91Å
319P94.6Very high84.8Confident15 Ų1563.8 Ų63.810%0.09734%0.344CS..G310 helixtrans-48.9-48.6177.9-34.439.1000114.5T317 K321 S322 Q328 L330 P351T317-P319 WeakPolarHBondContact O-CD 3.44Å; P319-K321 PolarHBondContact O-N 3.44Å; P319-S322 WeakPolarHBondContact O-CB 3.38Å; P319-S322 PolarHBondContact O-N 3.44Å; P319-Q328 VanDerWaalsContact O-CA 3.29Å; P319-Q328 WeakPolarHBondContact O-CA 3.48Å; P319-L330 HydrophobicContact CB-CB 3.89Å; P319-L330 WeakPolarHBondContact CB-O 3.4Å; P319-L330 HydrophobicContact CG-CB 3.88Å; P319-L330 WeakPolarHBondContact CG-O 3.47Å; P319-P351 HydrophobicContact CB-CB 4.48Å; P319-P351 HydrophobicContact CG-CB 4.24Å
320C92.4Very high86.5Confident90 Ų9060.1 Ų60.161%0.60833%0.327SS*.G310 helixtrans-60.9-19-177.360.40000114.4E318E318-C320 VanDerWaalsContact C-N 3.33Å; E318-C320 PolarHBondContact O-N 3.17Å
321K91.6Very high87.9Confident105 Ų10566.2 Ų66.246%0.45735%0.353SS..G310 helixtrans-98.22176.6-67174.4-179.4152.60112.8E318 P319 S323 H349E318-K321 HydrophobicContact CB-CB 4.47Å; E318-K321 HydrophobicContact CB-CD 4.23Å; E318-K321 HydrophobicContact CB-CG 4.44Å; E318-K321 PolarHBondContact O-N 3.01Å; E318-K321 IonicContact OE1-NZ 3.6Å; E318-K321 PolarHBondContact OE1-NZ 3.43Å; E318-K321 WeakPolarHBondContact OE2-CD 3.35Å; E318-K321 WeakPolarHBondContact OE2-CE 3.17Å; E318-K321 IonicContact OE2-NZ 3.25Å; E318-K321 PolarHBondContact OE2-NZ 2.91Å; P319-K321 PolarHBondContact O-N 3.44Å; K321-S323 PolarHBondContact O-N 3.24Å; K321-H349 WeakPolarHBondContact O-CB 3.3Å
322S93.1Very high89.6Confident1 Ų169.9 Ų69.91%0.00736%0.355CS..  trans-59.8134.3-174.6-176.90000111.7P319 I324 Q328 H349 P351P319-S322 WeakPolarHBondContact O-CB 3.38Å; P319-S322 PolarHBondContact O-N 3.44Å; S322-I324 PolarHBondContact O-N 3.19Å; S322-I324 PolarHBondContact OG-N 3.27Å; S322-I324 PolarHBondContact OG-O 2.86Å; S322-Q328 PolarHBondContact O-NE2 3.5Å; S322-H349 WeakPolarHBondContact CA-O 3.15Å; S322-H349 PolarHBondContact OG-O 3.27Å; S322-P351 VanDerWaalsContact OG-CD 3.29Å; S322-P351 WeakPolarHBondContact OG-CD 3.4Å
323S92.6Very high91.4Very high2 Ų263.7 Ų63.71%0.01432%0.317CS..SBendtrans-75.2-1.6170.7-580000112.7T304 M305 K321 H349T304-S323 CarbonylContact C-O 3.48Å; T304-S323 VanDerWaalsContact CA-O 3.23Å; T304-S323 WeakPolarHBondContact CA-O 3.33Å; M305-S323 PolarHBondContact N-O 2.82Å; K321-S323 PolarHBondContact O-N 3.24Å; S323-H349 PolarHBondContact N-O 3.01Å; S323-H349 PolarHBondContact OG-N 3.4Å
324I93.6Very high92.9Very high0 Ų061.3 Ų61.30%029%0.293CS..BIsolated β-bridgetrans-112.7103.2178.5-54.5172.3000107.1C303 S322 L327 L339 L344 V347 I350C303-I324 CarbonylContact O-C 3.59Å; C303-I324 WeakPolarHBondContact O-CA 3.16Å; S322-I324 PolarHBondContact O-N 3.19Å; S322-I324 PolarHBondContact OG-N 3.27Å; S322-I324 PolarHBondContact OG-O 2.86Å; I324-L327 HydrophobicContact CB-CB 4.3Å; I324-L327 HydrophobicContact CB-CD1 3.88Å; I324-L327 HydrophobicContact CB-CG 3.98Å; I324-L327 HydrophobicContact CD1-CD1 3.73Å; I324-L327 HydrophobicContact CG1-CD1 4.35Å; I324-L327 HydrophobicContact CG2-CB 4.49Å; I324-L327 HydrophobicContact CG2-CD1 3.93Å; I324-L327 HydrophobicContact CG2-CG 3.77Å; I324-L327 WeakPolarHBondContact O-CB 3.4Å; I324-L327 PolarHBondContact O-N 3.13Å; I324-L339 HydrophobicContact CD1-CD1 4.05Å; I324-L344 HydrophobicContact CD1-CB 4.03Å; I324-L344 HydrophobicContact CG2-CD1 4.42Å; I324-V347 HydrophobicContact CD1-CG2 4.03Å; I324-V347 HydrophobicContact CG1-CG2 3.82Å; I324-I350 HydrophobicContact CD1-CG1 4.48Å
325Y92.3Very high93.8Very high63 Ų6355.4 Ų55.425%0.24728%0.276CS..G310 helixtrans-51.2-47.5-168.7-67.5-65.7000113.8C303 T304 M305 P306 L327 Q328C303-Y325 PolarHBondContact O-N 3.44Å; T304-Y325 WeakPolarHBondContact O-CE2 3.31Å; M305-Y325 HydrophobicContact CG-CD1 4.29Å; M305-Y325 HydrophobicContact CG-CE1 3.61Å; M305-Y325 HydrophobicContact CG-CE2 4.3Å; M305-Y325 HydrophobicContact SD-CE1 3.68Å; P306-Y325 WeakPolarHBondContact CD-OH 3.26Å; Y325-L327 PolarHBondContact O-N 3.02Å; Y325-L327 VanDerWaalsContact O-N 3.14Å; Y325-Q328 WeakPolarHBondContact O-CB 3.11Å; Y325-Q328 PolarHBondContact O-N 2.89Å; Y325-Q328 VanDerWaalsContact O-N 3.11Å
326P94.4Very high94.5Very high0 Ų052 Ų520%025%0.25CC..G310 helixtrans-57.3-28.7177.1-30.739.7000115.3R276 L279 Q328R276-P326 HydrophobicContact CG-CG 3.7Å; L279-P326 HydrophobicContact CB-CB 3.96Å; L279-P326 HydrophobicContact CB-CG 4.14Å; L279-P326 HydrophobicContact CD2-CB 3.83Å; L279-P326 HydrophobicContact CD2-CG 3.99Å; L279-P326 HydrophobicContact CG-CB 3.64Å; L279-P326 HydrophobicContact CG-CG 4.15Å; P326-Q328 VanDerWaalsContact C-N 3.31Å
327L95.4Very high94.8Very high3 Ų350.9 Ų50.92%0.01624%0.242CC..G310 helixtrans-83.6-7.6-177.2-55.6-174.8000112.8V283 I324 Y325 E329 L330 L337 P351V283-L327 HydrophobicContact CG2-CD2 3.89Å; I324-L327 HydrophobicContact CB-CB 4.3Å; I324-L327 HydrophobicContact CB-CD1 3.88Å; I324-L327 HydrophobicContact CB-CG 3.98Å; I324-L327 HydrophobicContact CD1-CD1 3.73Å; I324-L327 HydrophobicContact CG1-CD1 4.35Å; I324-L327 HydrophobicContact CG2-CB 4.49Å; I324-L327 HydrophobicContact CG2-CD1 3.93Å; I324-L327 HydrophobicContact CG2-CG 3.77Å; I324-L327 WeakPolarHBondContact O-CB 3.4Å; I324-L327 PolarHBondContact O-N 3.13Å; Y325-L327 PolarHBondContact O-N 3.02Å; Y325-L327 VanDerWaalsContact O-N 3.14Å; L327-E329 PolarHBondContact O-N 3.11Å; L327-L330 HydrophobicContact CB-CD1 4Å; L327-L330 HydrophobicContact CD2-CD1 4.19Å; L327-L330 WeakPolarHBondContact O-CB 3.34Å; L327-L330 WeakPolarHBondContact O-CG 3.5Å; L327-L330 PolarHBondContact O-N 3.17Å; L327-L337 HydrophobicContact CD1-CD2 3.59Å; L327-P351 HydrophobicContact CB-CG 3.65Å; L327-P351 HydrophobicContact CD1-CG 4Å; L327-P351 HydrophobicContact CG-CG 4.47Å
328Q94.4Very high95Very high65 Ų6548.4 Ų48.430%0.30423%0.227SC..G310 helixtrans-65.5-25.2172.3-64.9178.7-1200112.7P319 S322 Y325 P326 L330P319-Q328 VanDerWaalsContact O-CA 3.29Å; P319-Q328 WeakPolarHBondContact O-CA 3.48Å; S322-Q328 PolarHBondContact O-NE2 3.5Å; Y325-Q328 WeakPolarHBondContact O-CB 3.11Å; Y325-Q328 PolarHBondContact O-N 2.89Å; Y325-Q328 VanDerWaalsContact O-N 3.11Å; P326-Q328 VanDerWaalsContact C-N 3.31Å; Q328-L330 PolarHBondContact O-N 3.37Å
329E93.9Very high95.1Very high104 Ų10444.2 Ų44.249%0.48621%0.208SC..G310 helixtrans-78-5.6178.8-60.7-72.2140.500113V283 Q284 L327 K331V283-E329 HydrophobicContact CG1-CB 3.79Å; Q284-E329 HydrophobicContact CG-CB 4.19Å; Q284-E329 HydrophobicContact CG-CG 4.33Å; Q284-E329 PolarHBondContact NE2-OE2 3.35Å; Q284-E329 VanDerWaalsContact NE2-OE2 3.16Å; L327-E329 PolarHBondContact O-N 3.11Å; E329-K331 PolarHBondContact O-N 3.39Å
330L95.4Very high95.2Very high20 Ų2043.5 Ų43.511%0.10520%0.203CC..  trans-65.1135.6176.6-74.7167.2000110.5V283 P319 L327 Q328 R332 L334 P351V283-L330 HydrophobicContact CG1-CB 4.37Å; V283-L330 HydrophobicContact CG1-CD2 3.71Å; V283-L330 HydrophobicContact CG1-CG 3.71Å; V283-L330 HydrophobicContact CG2-CD2 4.32Å; V283-L330 HydrophobicContact CG2-CG 4.49Å; P319-L330 HydrophobicContact CB-CB 3.89Å; P319-L330 WeakPolarHBondContact CB-O 3.4Å; P319-L330 HydrophobicContact CG-CB 3.88Å; P319-L330 WeakPolarHBondContact CG-O 3.47Å; L327-L330 HydrophobicContact CB-CD1 4Å; L327-L330 HydrophobicContact CD2-CD1 4.19Å; L327-L330 WeakPolarHBondContact O-CB 3.34Å; L327-L330 WeakPolarHBondContact O-CG 3.5Å; L327-L330 PolarHBondContact O-N 3.17Å; Q328-L330 PolarHBondContact O-N 3.37Å; L330-R332 VanDerWaalsContact C-N 3.26Å; L330-R332 PolarHBondContact O-N 3.28Å; L330-L334 HydrophobicContact CD1-CD1 4.2Å; L330-L334 HydrophobicContact CD1-CG 4.06Å; L330-L334 HydrophobicContact CD2-CD2 4.21Å; L330-L334 HydrophobicContact CD2-CG 4.42Å; L330-P351 HydrophobicContact CD1-CB 4.44Å; L330-P351 HydrophobicContact CD1-CG 3.93Å
331K92.3Very high95.2Very high158 Ų15841.3 Ų41.369%0.68719%0.185SC*.SBendtrans-70.6-22.7175.3-69.2-173.6172.5-1790113.6L287 E329L287-K331 HydrophobicContact CD2-CD 4.26Å; E329-K331 PolarHBondContact O-N 3.39Å
332R95.3Very high95.2Very high135 Ų13536.7 Ų36.751%0.50917%0.166SC..SBendtrans-157.8155.8-176.954.9-179.4149.8-156.3-9.1109.9L330L330-R332 VanDerWaalsContact C-N 3.26Å; L330-R332 PolarHBondContact O-N 3.28Å
333P97.4Very high95Very high27 Ų2741 Ų4118%0.17519%0.192CC..  trans-56.1144.5169.919.8-30.1000111.6T317 P351 Y353T317-P333 WeakPolarHBondContact O-CB 3.44Å; P333-P351 CarbonylContact C-O 3.29Å; P333-P351 VanDerWaalsContact CA-O 3.29Å; P333-P351 WeakPolarHBondContact CA-O 3.27Å; P333-Y353 HydrophobicContact CB-CD2 4.4Å; P333-Y353 HydrophobicContact CB-CE2 3.91Å; P333-Y353 HydrophobicContact CG-CE2 3.69Å
334L98.4Very high95Very high0 Ų041 Ų410%019%0.192CC..EExtended strand (participates in β ladder)trans-73.8150.2170.7-62.9172.2000110.1L289 L292 L330 L337 P351 A352 Y353L289-L334 HydrophobicContact CB-CD2 4.05Å; L292-L334 HydrophobicContact CB-CD1 3.93Å; L330-L334 HydrophobicContact CD1-CD1 4.2Å; L330-L334 HydrophobicContact CD1-CG 4.06Å; L330-L334 HydrophobicContact CD2-CD2 4.21Å; L330-L334 HydrophobicContact CD2-CG 4.42Å; L334-L337 HydrophobicContact CD1-CB 4.19Å; L334-L337 HydrophobicContact CD1-CD1 3.84Å; L334-L337 HydrophobicContact CD1-CG 4.41Å; L334-P351 PolarHBondContact N-O 3.31Å; L334-A352 HydrophobicContact CB-CB 3.99Å; L334-A352 CarbonylContact O-C 3.56Å; L334-A352 WeakPolarHBondContact O-CA 3.35Å; L334-Y353 WeakPolarHBondContact O-CD2 3.39Å; L334-Y353 PolarHBondContact O-N 3.5Å
335Q98.3Very high95Very high108 Ų10841 Ų4151%0.50519%0.192SC..EExtended strand (participates in β ladder)trans-73.6-36168.7-64.8-63.4-31.400110.5V290 K354V290-Q335 HydrophobicContact CG1-CB 3.72Å; V290-Q335 HydrophobicContact CG1-CG 3.43Å; V290-Q335 VanDerWaalsContact CG1-CG 3.43Å; V290-Q335 PolarHBondContact O-N 3.25Å; Q335-K354 WeakPolarHBondContact O-CB 3.08Å; Q335-K354 PolarHBondContact O-N 3.16Å
336F98.6Very high94.9Very high33 Ų3341.9 Ų41.915%0.14520%0.201CC..EExtended strand (participates in β ladder)trans-137134.8177.6176.7-91.4000111V290 S291 L292 D293 K354 T356 A370V290-F336 PolarHBondContact O-N 2.82Å; S291-F336 WeakPolarHBondContact CA-O 3.36Å; S291-F336 VanDerWaalsContact OG-CD1 3.26Å; S291-F336 WeakPolarHBondContact OG-CD1 3.31Å; L292-F336 PolarHBondContact N-O 3.29Å; L292-F336 VanDerWaalsContact N-O 3.14Å; D293-F336 HydrophobicContact CB-CE1 4.12Å; F336-K354 CarbonylContact C-O 3.54Å; F336-K354 WeakPolarHBondContact CA-O 3.45Å; F336-K354 HydrophobicContact CD2-CB 4.36Å; F336-K354 HydrophobicContact CD2-CD 4.26Å; F336-K354 HydrophobicContact CD2-CG 4.26Å; F336-T356 HydrophobicContact CE2-CG2 3.46Å; F336-T356 VanDerWaalsContact CE2-CG2 3.46Å; F336-T356 HydrophobicContact CZ-CG2 3.55Å; F336-A370 HydrophobicContact CE2-CB 3.88Å; F336-A370 HydrophobicContact CZ-CB 3.98Å
337L98.6Very high94.8Very high0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-133.4112.4170.4-178.162.7000110.5L292 L327 L334 L339 I350 A352 K354 V355 T356L292-L337 HydrophobicContact CB-CD1 4.01Å; L292-L337 HydrophobicContact CD2-CD1 4.18Å; L292-L337 HydrophobicContact CG-CD1 4.21Å; L292-L337 CarbonylContact O-C 3.32Å; L292-L337 VanDerWaalsContact O-CA 3.28Å; L292-L337 WeakPolarHBondContact O-CA 3.37Å; L327-L337 HydrophobicContact CD1-CD2 3.59Å; L334-L337 HydrophobicContact CD1-CB 4.19Å; L334-L337 HydrophobicContact CD1-CD1 3.84Å; L334-L337 HydrophobicContact CD1-CG 4.41Å; L337-L339 HydrophobicContact CD1-CD2 4.11Å; L337-L339 HydrophobicContact CD2-CD1 3.84Å; L337-L339 HydrophobicContact CD2-CD2 4.16Å; L337-L339 HydrophobicContact CD2-CG 4.08Å; L337-L339 HydrophobicContact CG-CD1 4.15Å; L337-L339 HydrophobicContact CG-CD2 3.93Å; L337-L339 HydrophobicContact CG-CG 3.84Å; L337-I350 HydrophobicContact CD2-CG2 3.58Å; L337-A352 HydrophobicContact CB-CB 3.53Å; L337-A352 HydrophobicContact CD2-CB 4.43Å; L337-K354 PolarHBondContact N-O 3.31Å; L337-V355 WeakPolarHBondContact O-CA 3.29Å; L337-T356 PolarHBondContact O-N 2.93Å; L337-T356 VanDerWaalsContact O-N 3.12Å
338G98.1Very high94.4Very high0 Ų044.2 Ų44.20%022%0.216CC..EExtended strand (participates in β ladder)trans-85.9110.2178.200000111.8L292 D293 I294 S295 T356L292-G338 PolarHBondContact O-N 3.4Å; D293-G338 WeakPolarHBondContact OD1-CA 3.21Å; I294-G338 WeakPolarHBondContact CG1-O 3.47Å; I294-G338 PolarHBondContact N-O 2.87Å; S295-G338 PolarHBondContact N-O 3Å; S295-G338 PolarHBondContact OG-O 2.82Å; G338-T356 VanDerWaalsContact CA-OG1 3.26Å; G338-T356 WeakPolarHBondContact CA-OG1 3.43Å
339L96.9Very high94.3Very high0 Ų041.7 Ų41.70%020%0.204CC..  trans-125.317.1179.3-56.3177.2000112.6I294 S295 I324 L337 T342 L344 C345 I350 V355 T356I294-L339 HydrophobicContact CD1-CD2 3.86Å; I294-L339 HydrophobicContact CG1-CD2 3.78Å; S295-L339 PolarHBondContact OG-N 3.33Å; I324-L339 HydrophobicContact CD1-CD1 4.05Å; L337-L339 HydrophobicContact CD1-CD2 4.11Å; L337-L339 HydrophobicContact CD2-CD1 3.84Å; L337-L339 HydrophobicContact CD2-CD2 4.16Å; L337-L339 HydrophobicContact CD2-CG 4.08Å; L337-L339 HydrophobicContact CG-CD1 4.15Å; L337-L339 HydrophobicContact CG-CD2 3.93Å; L337-L339 HydrophobicContact CG-CG 3.84Å; L339-T342 WeakPolarHBondContact O-CB 3.47Å; L339-T342 PolarHBondContact O-N 3.16Å; L339-T342 VanDerWaalsContact O-N 3.16Å; L339-T342 PolarHBondContact O-OG1 2.75Å; L339-L344 HydrophobicContact CD1-CB 4.31Å; L339-L344 HydrophobicContact CD2-CB 4.2Å; L339-L344 HydrophobicContact CD2-CD1 4.4Å; L339-C345 HydrophobicContact CB-CB 3.82Å; L339-I350 HydrophobicContact CD1-CD1 4.09Å; L339-I350 HydrophobicContact CD1-CG2 4.12Å; L339-V355 HydrophobicContact CD1-CG1 4.14Å; L339-T356 CarbonylContact C-O 3.17Å; L339-T356 WeakPolarHBondContact CA-O 3.17Å; L339-T356 WeakPolarHBondContact CB-O 3.4Å; L339-T356 PolarHBondContact N-O 2.99Å; L339-T356 VanDerWaalsContact N-O 3.09Å; L339-T356 PolarHBondContact N-OG1 3.4Å; L339-T356 VanDerWaalsContact N-OG1 3.16Å
340Y96.1Very high94.4Very high0 Ų037.5 Ų37.50%018%0.184CC..THydrogen-bonded Turntrans-63.9141.4-176.8-169.2-95.7000110.9S295 G296 T342 T356 G357 A367 Y371 L378 K381 A382 Q385S295-Y340 CarbonylContact C-O 3.51Å; S295-Y340 WeakPolarHBondContact CA-O 3.43Å; S295-Y340 WeakPolarHBondContact CB-O 3.23Å; S295-Y340 PolarHBondContact OG-N 2.87Å; G296-Y340 PolarHBondContact N-O 3.03Å; Y340-T342 PolarHBondContact O-N 2.92Å; Y340-T356 PolarHBondContact N-O 2.91Å; Y340-T356 PolarHBondContact N-OG1 2.92Å; Y340-G357 WeakPolarHBondContact CD2-O 3.5Å; Y340-A367 HydrophobicContact CD2-CB 3.45Å; Y340-A367 VanDerWaalsContact CD2-CB 3.45Å; Y340-A367 HydrophobicContact CE2-CB 3.92Å; Y340-A367 HydrophobicContact CG-CB 4.02Å; Y340-Y371 HydrophobicContact CG-CE2 4.19Å; Y340-L378 HydrophobicContact CD1-CD2 4.33Å; Y340-K381 HydrophobicContact CE1-CB 4.09Å; Y340-K381 PolarHBondContact OH-O 3.01Å; Y340-A382 HydrophobicContact CE2-CB 3.96Å; Y340-A382 WeakPolarHBondContact OH-CA 3.37Å; Y340-A382 PolarHBondContact OH-N 3.41Å; Y340-A382 VanDerWaalsContact OH-N 3.1Å; Y340-Q385 PolarHBondContact OH-NE2 3.27Å; Y340-Q385 VanDerWaalsContact OH-NE2 3.11Å; Y340-Q385 PolarHBondContact OH-OE1 3.13Å
341D92.1Very high94.4Very high43 Ų4336.5 Ų36.523%0.2318%0.179CC..THydrogen-bonded Turntrans54.130.7-172.6-78.5-5.8000114K381D341-K381 WeakPolarHBondContact OD2-CD 3.26Å; D341-K381 IonicContact OD2-NZ 2.72Å; D341-K381 PolarHBondContact OD2-NZ 3.49Å
342T91.7Very high94.7Very high8 Ų829.3 Ų29.35%0.04915%0.149CC..SBendtrans-119.5152.2171.577.60000111.1I294 M299 L339 Y340 L344 C345I294-T342 WeakPolarHBondContact O-CG2 3.31Å; M299-T342 HydrophobicContact CE-CG2 4.43Å; L339-T342 WeakPolarHBondContact O-CB 3.47Å; L339-T342 PolarHBondContact O-N 3.16Å; L339-T342 VanDerWaalsContact O-N 3.16Å; L339-T342 PolarHBondContact O-OG1 2.75Å; Y340-T342 PolarHBondContact O-N 2.92Å; T342-L344 PolarHBondContact O-N 3.37Å; T342-L344 PolarHBondContact OG1-N 2.78Å; T342-C345 PolarHBondContact O-SG 2.8Å
343T89.7Confident94.8Very high93 Ų9329.6 Ų29.657%0.57115%0.151SC*.G310 helixtrans-67.5-15.6172.552.90000113C345T343-C345 VanDerWaalsContact C-N 3.33Å; T343-C345 PolarHBondContact O-N 2.72Å
344L92.3Very high94.8Very high2 Ų231 Ų311%0.0115%0.154CC..G310 helixtrans-73.9-22.7-177-55.7-176.8000112.9L279 I294 M299 C303 T304 I324 L339 T342 N346 V347L279-L344 HydrophobicContact CD2-CD1 4.47Å; I294-L344 HydrophobicContact CD1-CD1 3.95Å; M299-L344 HydrophobicContact CE-CD1 4.08Å; M299-L344 HydrophobicContact CG-CD1 4.03Å; M299-L344 HydrophobicContact CG-CD2 4.05Å; M299-L344 HydrophobicContact CG-CG 3.89Å; M299-L344 HydrophobicContact SD-CD1 3.93Å; M299-L344 HydrophobicContact SD-CG 4.46Å; C303-L344 HydrophobicContact CB-CD2 3.8Å; T304-L344 HydrophobicContact CG2-CD2 3.62Å; I324-L344 HydrophobicContact CD1-CB 4.03Å; I324-L344 HydrophobicContact CG2-CD1 4.42Å; L339-L344 HydrophobicContact CD1-CB 4.31Å; L339-L344 HydrophobicContact CD2-CB 4.2Å; L339-L344 HydrophobicContact CD2-CD1 4.4Å; T342-L344 PolarHBondContact O-N 3.37Å; T342-L344 PolarHBondContact OG1-N 2.78Å; L344-N346 PolarHBondContact O-N 2.91Å; L344-V347 WeakPolarHBondContact O-CG2 3.42Å
345C93.3Very high94.8Very high0 Ų031.7 Ų31.70%016%0.159CC..G310 helixtrans-69.6-15.4-179.969.80000113.4L339 T342 T343 V347 S358 K359 Q363L339-C345 HydrophobicContact CB-CB 3.82Å; T342-C345 PolarHBondContact O-SG 2.8Å; T343-C345 VanDerWaalsContact C-N 3.33Å; T343-C345 PolarHBondContact O-N 2.72Å; C345-V347 VanDerWaalsContact C-N 3.33Å; C345-V347 PolarHBondContact O-N 2.78Å; C345-S358 PolarHBondContact SG-N 3.34Å; C345-K359 WeakPolarHBondContact O-CB 3.36Å; C345-K359 WeakPolarHBondContact O-CD 3.47Å; C345-Q363 PolarHBondContact O-NE2 3.43Å; C345-Q363 VanDerWaalsContact O-NE2 3.08Å
346N91.3Very high94.8Very high80 Ų8026.6 Ų26.643%0.42814%0.135SC..G310 helixtrans-81.3-8.7-173.9-66.9-26.4000114.2L344 K359L344-N346 PolarHBondContact O-N 2.91Å; N346-K359 WeakPolarHBondContact O-CE 3.22Å; N346-K359 PolarHBondContact O-NZ 3.05Å
347V90.8Very high94.7Very high13 Ų1325 Ų258%0.07913%0.128CC..SBendtrans-80.4168.3-179.6-52.30000112.9T304 I324 L344 C345 I350 K359T304-V347 HydrophobicContact CG2-CG1 3.52Å; I324-V347 HydrophobicContact CD1-CG2 4.03Å; I324-V347 HydrophobicContact CG1-CG2 3.82Å; L344-V347 WeakPolarHBondContact O-CG2 3.42Å; C345-V347 VanDerWaalsContact C-N 3.33Å; C345-V347 PolarHBondContact O-N 2.78Å; V347-I350 HydrophobicContact CG2-CD1 4Å; V347-I350 HydrophobicContact CG2-CG1 3.55Å; V347-K359 PolarHBondContact O-NZ 3.31Å
348T88.1Confident94.5Very high40 Ų4027.2 Ų27.225%0.24514%0.143CC..SBendtrans-92.1-44.4-172.9-54.60000113.7E310 P315E310-T348 WeakPolarHBondContact OE1-CB 3.45Å; E310-T348 PolarHBondContact OE1-N 2.85Å; E310-T348 PolarHBondContact OE1-OG1 2.85Å; P315-T348 HydrophobicContact CG-CG2 4.41Å
349H92.6Very high94.3Very high12 Ų1231.3 Ų31.36%0.05616%0.161CC..  trans-102.197.6-178.1-54.4-65.9000110.9A311 R314 S316 K321 S322 S323A311-H349 PolarHBondContact O-NE2 3.24Å; R314-H349 PolarHBondContact O-CE1 2.85Å; R314-H349 VanDerWaalsContact O-CE1 3.26Å; S316-H349 PolarHBondContact N-ND1 3.33Å; K321-H349 WeakPolarHBondContact O-CB 3.3Å; S322-H349 WeakPolarHBondContact CA-O 3.15Å; S322-H349 PolarHBondContact OG-O 3.27Å; S323-H349 PolarHBondContact N-O 3.01Å; S323-H349 PolarHBondContact OG-N 3.4Å
350I95.3Very high94.1Very high15 Ų1534.6 Ų34.68%0.07718%0.179CC..  trans-111.2120.7179.6-58.3177.4000108.1I324 L337 L339 V347 A352 V355I324-I350 HydrophobicContact CD1-CG1 4.48Å; L337-I350 HydrophobicContact CD2-CG2 3.58Å; L339-I350 HydrophobicContact CD1-CD1 4.09Å; L339-I350 HydrophobicContact CD1-CG2 4.12Å; V347-I350 HydrophobicContact CG2-CD1 4Å; V347-I350 HydrophobicContact CG2-CG1 3.55Å; I350-A352 PolarHBondContact O-N 3.07Å; I350-V355 HydrophobicContact CB-CG2 4.24Å; I350-V355 HydrophobicContact CD1-CG1 4.03Å; I350-V355 HydrophobicContact CG2-CG1 4.18Å; I350-V355 HydrophobicContact CG2-CG2 3.62Å
351P96.4Very high94.1Very high0 Ų035.8 Ų35.80%018%0.184CC..SBendtrans-82.358.9-170.934.1-35.9000112.3T317 P319 S322 L327 L330 P333 L334T317-P351 VanDerWaalsContact O-CA 3.27Å; T317-P351 WeakPolarHBondContact O-CA 3.39Å; T317-P351 WeakPolarHBondContact O-CB 3.29Å; P319-P351 HydrophobicContact CB-CB 4.48Å; P319-P351 HydrophobicContact CG-CB 4.24Å; S322-P351 VanDerWaalsContact OG-CD 3.29Å; S322-P351 WeakPolarHBondContact OG-CD 3.4Å; L327-P351 HydrophobicContact CB-CG 3.65Å; L327-P351 HydrophobicContact CD1-CG 4Å; L327-P351 HydrophobicContact CG-CG 4.47Å; L330-P351 HydrophobicContact CD1-CB 4.44Å; L330-P351 HydrophobicContact CD1-CG 3.93Å; P333-P351 CarbonylContact C-O 3.29Å; P333-P351 VanDerWaalsContact CA-O 3.29Å; P333-P351 WeakPolarHBondContact CA-O 3.27Å; L334-P351 PolarHBondContact N-O 3.31Å
352A97.8Very high94.3Very high6 Ų636.7 Ų36.75%0.0519%0.189CC..EExtended strand (participates in β ladder)trans-149.5151.4177.500000112.2T317 L334 L337 I350 V355T317-A352 WeakPolarHBondContact CG2-O 3.42Å; L334-A352 HydrophobicContact CB-CB 3.99Å; L334-A352 CarbonylContact O-C 3.56Å; L334-A352 WeakPolarHBondContact O-CA 3.35Å; L337-A352 HydrophobicContact CB-CB 3.53Å; L337-A352 HydrophobicContact CD2-CB 4.43Å; I350-A352 PolarHBondContact O-N 3.07Å; A352-V355 HydrophobicContact CB-CG2 3.88Å
353Y97.5Very high94.6Very high141 Ų14136.9 Ų36.955%0.55319%0.189SC*.EExtended strand (participates in β ladder)trans-79.3-37.2178.2-65.7-72.3000113P333 L334P333-Y353 HydrophobicContact CB-CD2 4.4Å; P333-Y353 HydrophobicContact CB-CE2 3.91Å; P333-Y353 HydrophobicContact CG-CE2 3.69Å; L334-Y353 WeakPolarHBondContact O-CD2 3.39Å; L334-Y353 PolarHBondContact O-N 3.5Å
354K97.9Very high94.9Very high57 Ų5732.5 Ų32.525%0.24816%0.163CC..EExtended strand (participates in β ladder)trans-120.7123.4174.1-166.4173.3-171.5171.80109.4Q335 F336 L337 N366 E369Q335-K354 WeakPolarHBondContact O-CB 3.08Å; Q335-K354 PolarHBondContact O-N 3.16Å; F336-K354 CarbonylContact C-O 3.54Å; F336-K354 WeakPolarHBondContact CA-O 3.45Å; F336-K354 HydrophobicContact CD2-CB 4.36Å; F336-K354 HydrophobicContact CD2-CD 4.26Å; F336-K354 HydrophobicContact CD2-CG 4.26Å; L337-K354 PolarHBondContact N-O 3.31Å; K354-N366 WeakPolarHBondContact CE-OD1 3.37Å; K354-N366 HydrophobicContact CG-CB 4.18Å; K354-E369 WeakPolarHBondContact CE-OE2 3.28Å; K354-E369 IonicContact NZ-OE1 3.44Å; K354-E369 PolarHBondContact NZ-OE1 3.23Å; K354-E369 IonicContact NZ-OE2 3.43Å; K354-E369 PolarHBondContact NZ-OE2 3.28Å
355V98.3Very high95.2Very high15 Ų1532.4 Ų32.49%0.09116%0.162CC..EExtended strand (participates in β ladder)trans-125.4126.7-177.1-179.10000109L337 L339 I350 A352 Q363 N366L337-V355 WeakPolarHBondContact O-CA 3.29Å; L339-V355 HydrophobicContact CD1-CG1 4.14Å; I350-V355 HydrophobicContact CB-CG2 4.24Å; I350-V355 HydrophobicContact CD1-CG1 4.03Å; I350-V355 HydrophobicContact CG2-CG1 4.18Å; I350-V355 HydrophobicContact CG2-CG2 3.62Å; A352-V355 HydrophobicContact CB-CG2 3.88Å; V355-Q363 HydrophobicContact CG1-CG 4.31Å; V355-Q363 WeakPolarHBondContact O-CA 3.49Å; V355-N366 WeakPolarHBondContact O-CB 3.3Å; V355-N366 PolarHBondContact O-ND2 3.12Å
356T98.3Very high95.5Very high0 Ų032.7 Ų32.70%016%0.164CC..EExtended strand (participates in β ladder)trans-91.1145.7167.976.80000109.6F336 L337 G338 L339 Y340 N366 A367 A370 Y371F336-T356 HydrophobicContact CE2-CG2 3.46Å; F336-T356 VanDerWaalsContact CE2-CG2 3.46Å; F336-T356 HydrophobicContact CZ-CG2 3.55Å; L337-T356 PolarHBondContact O-N 2.93Å; L337-T356 VanDerWaalsContact O-N 3.12Å; G338-T356 VanDerWaalsContact CA-OG1 3.26Å; G338-T356 WeakPolarHBondContact CA-OG1 3.43Å; L339-T356 CarbonylContact C-O 3.17Å; L339-T356 WeakPolarHBondContact CA-O 3.17Å; L339-T356 WeakPolarHBondContact CB-O 3.4Å; L339-T356 PolarHBondContact N-O 2.99Å; L339-T356 VanDerWaalsContact N-O 3.09Å; L339-T356 PolarHBondContact N-OG1 3.4Å; L339-T356 VanDerWaalsContact N-OG1 3.16Å; Y340-T356 PolarHBondContact N-O 2.91Å; Y340-T356 PolarHBondContact N-OG1 2.92Å; T356-N366 HydrophobicContact CG2-CB 4.2Å; T356-A367 HydrophobicContact CG2-CB 4.4Å; T356-A370 HydrophobicContact CG2-CB 4.09Å; T356-Y371 HydrophobicContact CG2-CE2 4.24Å; T356-Y371 PolarHBondContact OG1-OH 2.99Å
357G96.4Very high95.8Very high0 Ų028.9 Ų28.90%014%0.143CC..  trans174.9-178.4-175.300000112.1Y340 Q363 V364Y340-G357 WeakPolarHBondContact CD2-O 3.5Å; G357-Q363 PolarHBondContact N-O 2.95Å; G357-Q363 CarbonylContact O-C 3.47Å; G357-Q363 VanDerWaalsContact O-C 3.29Å; G357-Q363 WeakPolarHBondContact O-CB 3.41Å; G357-V364 PolarHBondContact O-N 3.31Å
358S94.4Very high96.2Very high46 Ų4628.3 Ų28.332%0.32214%0.14SC..SBendtrans-11612.7179.361.90000113.3C345C345-S358 PolarHBondContact SG-N 3.34Å
359K93.4Very high96.6Very high87 Ų8730.6 Ų30.638%0.37815%0.148SC..SBendtrans-76.5-38.5-176.5-174.9-177.4178.7157.40112.6C345 N346 V347C345-K359 WeakPolarHBondContact O-CB 3.36Å; C345-K359 WeakPolarHBondContact O-CD 3.47Å; N346-K359 WeakPolarHBondContact O-CE 3.22Å; N346-K359 PolarHBondContact O-NZ 3.05Å; V347-K359 PolarHBondContact O-NZ 3.31Å
360N93.1Very high96.8Very high69 Ų6932 Ų3237%0.36916%0.161SC..SBendtrans-154171.1-171.762.351.6000112.2D362 Q363 V364N360-D362 PolarHBondContact O-N 2.93Å; N360-D362 PolarHBondContact OD1-N 3.48Å; N360-Q363 PolarHBondContact O-N 2.94Å; N360-Q363 PolarHBondContact OD1-N 3.36Å; N360-V364 WeakPolarHBondContact O-CG2 3.47Å; N360-V364 PolarHBondContact O-N 3.48Å; N360-V364 VanDerWaalsContact O-N 3.1Å
361E95.6Very high96.9Very high24 Ų2431.4 Ų31.411%0.11216%0.158CC..Hα-helixtrans-52-49-179.1-172.9-176.5162.700113.2Q363 V364 L365 I389 C395 S396 Q397E361-Q363 VanDerWaalsContact C-N 3.34Å; E361-Q363 PolarHBondContact O-N 2.97Å; E361-V364 PolarHBondContact O-N 3.37Å; E361-L365 HydrophobicContact CG-CD1 3.93Å; E361-L365 HydrophobicContact CG-CG 4.32Å; E361-L365 VanDerWaalsContact O-CG 3.3Å; E361-L365 WeakPolarHBondContact O-CG 3.39Å; E361-L365 PolarHBondContact O-N 2.99Å; E361-I389 HydrophobicContact CB-CD1 4.47Å; E361-C395 PolarHBondContact OE1-SG 2.93Å; E361-S396 VanDerWaalsContact CD-OG 3.27Å; E361-S396 PolarHBondContact OE1-N 3Å; E361-S396 VanDerWaalsContact OE1-N 3.08Å; E361-S396 PolarHBondContact OE1-OG 2.71Å; E361-S396 WeakPolarHBondContact OE2-CB 3.34Å; E361-S396 PolarHBondContact OE2-N 2.72Å; E361-S396 PolarHBondContact OE2-OG 3.37Å; E361-Q397 WeakPolarHBondContact OE1-CA 3.15Å; E361-Q397 WeakPolarHBondContact OE1-CB 3.47Å; E361-Q397 PolarHBondContact OE1-N 3.42Å
362D96.1Very high96.9Very high63 Ų6332.1 Ų32.134%0.33716%0.162SC..Hα-helixtrans-63.4-41.3-177.5-170.466.6000112.2N360 V364 L365 N366 Q397 R400N360-D362 PolarHBondContact O-N 2.93Å; N360-D362 PolarHBondContact OD1-N 3.48Å; D362-V364 VanDerWaalsContact C-N 3.32Å; D362-V364 PolarHBondContact O-N 3.34Å; D362-L365 PolarHBondContact O-N 3.46Å; D362-N366 VanDerWaalsContact O-CB 3.3Å; D362-N366 WeakPolarHBondContact O-CB 3.35Å; D362-N366 PolarHBondContact O-N 3.07Å; D362-N366 PolarHBondContact O-ND2 3.36Å; D362-N366 PolarHBondContact OD2-ND2 2.93Å; D362-Q397 PolarHBondContact OD1-NE2 3.42Å; D362-R400 IonicContact OD1-NH1 2.6Å; D362-R400 PolarHBondContact OD1-NH1 3.43Å
363Q97.3Very high96.6Very high11 Ų1135.6 Ų35.65%0.05118%0.178CC..Hα-helixtrans-62.5-38.6175.9-76.9-171.40.500113C345 V355 G357 N360 E361 A367C345-Q363 PolarHBondContact O-NE2 3.43Å; C345-Q363 VanDerWaalsContact O-NE2 3.08Å; V355-Q363 HydrophobicContact CG1-CG 4.31Å; V355-Q363 WeakPolarHBondContact O-CA 3.49Å; G357-Q363 PolarHBondContact N-O 2.95Å; G357-Q363 CarbonylContact O-C 3.47Å; G357-Q363 VanDerWaalsContact O-C 3.29Å; G357-Q363 WeakPolarHBondContact O-CB 3.41Å; N360-Q363 PolarHBondContact O-N 2.94Å; N360-Q363 PolarHBondContact OD1-N 3.36Å; E361-Q363 VanDerWaalsContact C-N 3.34Å; E361-Q363 PolarHBondContact O-N 2.97Å; Q363-A367 WeakPolarHBondContact O-CB 3.29Å; Q363-A367 PolarHBondContact O-N 3.11Å; Q363-A367 VanDerWaalsContact O-N 3.07Å
364V98.1Very high96.4Very high2 Ų231 Ų311%0.01216%0.161CC..Hα-helixtrans-69.6-46177.4173.30000110.4G357 N360 E361 D362 N366 A367 I368 A382 Q385 L386 I389G357-V364 PolarHBondContact O-N 3.31Å; N360-V364 WeakPolarHBondContact O-CG2 3.47Å; N360-V364 PolarHBondContact O-N 3.48Å; N360-V364 VanDerWaalsContact O-N 3.1Å; E361-V364 PolarHBondContact O-N 3.37Å; D362-V364 VanDerWaalsContact C-N 3.32Å; D362-V364 PolarHBondContact O-N 3.34Å; V364-N366 VanDerWaalsContact C-N 3.34Å; V364-N366 PolarHBondContact O-N 3.04Å; V364-A367 WeakPolarHBondContact O-CA 3.28Å; V364-A367 WeakPolarHBondContact O-CB 3.48Å; V364-A367 PolarHBondContact O-N 3.14Å; V364-I368 HydrophobicContact CG1-CD1 4.31Å; V364-I368 WeakPolarHBondContact O-CG1 3.36Å; V364-I368 PolarHBondContact O-N 2.88Å; V364-A382 VanDerWaalsContact CG1-O 3.22Å; V364-A382 WeakPolarHBondContact CG1-O 3.39Å; V364-Q385 HydrophobicContact CG1-CB 4.14Å; V364-Q385 HydrophobicContact CG2-CB 4.17Å; V364-L386 HydrophobicContact CG1-CB 3.96Å; V364-I389 HydrophobicContact CB-CD1 4.4Å; V364-I389 HydrophobicContact CG2-CD1 4.14Å
365L98.4Very high96.2Very high0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-62.4-41.2176.9-65.3175.7000111.7E361 D362 A367 I368 E369 L386 Q397 A401 L404E361-L365 HydrophobicContact CG-CD1 3.93Å; E361-L365 HydrophobicContact CG-CG 4.32Å; E361-L365 VanDerWaalsContact O-CG 3.3Å; E361-L365 WeakPolarHBondContact O-CG 3.39Å; E361-L365 PolarHBondContact O-N 2.99Å; D362-L365 PolarHBondContact O-N 3.46Å; L365-A367 VanDerWaalsContact C-N 3.26Å; L365-A367 PolarHBondContact O-N 3.34Å; L365-I368 PolarHBondContact O-N 3.37Å; L365-E369 WeakPolarHBondContact O-CB 3.24Å; L365-E369 PolarHBondContact O-N 3.48Å; L365-L386 HydrophobicContact CD2-CD1 3.92Å; L365-L386 HydrophobicContact CD2-CD2 3.99Å; L365-Q397 HydrophobicContact CD1-CB 3.69Å; L365-Q397 HydrophobicContact CD1-CG 4.27Å; L365-A401 HydrophobicContact CD2-CB 3.78Å; L365-L404 HydrophobicContact CB-CD1 4Å; L365-L404 HydrophobicContact CD2-CD1 4.01Å; L365-L404 WeakPolarHBondContact O-CD1 3.31Å
366N98.4Very high95.9Very high6 Ų629.2 Ų29.23%0.03215%0.152CC..Hα-helixtrans-59.9-36.6172.5-70.5-29.7000111.8K354 V355 T356 D362 V364 A370 R400K354-N366 WeakPolarHBondContact CE-OD1 3.37Å; K354-N366 HydrophobicContact CG-CB 4.18Å; V355-N366 WeakPolarHBondContact O-CB 3.3Å; V355-N366 PolarHBondContact O-ND2 3.12Å; T356-N366 HydrophobicContact CG2-CB 4.2Å; D362-N366 VanDerWaalsContact O-CB 3.3Å; D362-N366 WeakPolarHBondContact O-CB 3.35Å; D362-N366 PolarHBondContact O-N 3.07Å; D362-N366 PolarHBondContact O-ND2 3.36Å; D362-N366 PolarHBondContact OD2-ND2 2.93Å; V364-N366 VanDerWaalsContact C-N 3.34Å; V364-N366 PolarHBondContact O-N 3.04Å; N366-A370 VanDerWaalsContact O-CB 3.24Å; N366-A370 WeakPolarHBondContact O-CB 3.45Å; N366-A370 PolarHBondContact O-N 3.05Å; N366-R400 PolarHBondContact OD1-NH2 2.99Å
367A98.2Very high95.6Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-68.9-45.1177.400000112Y340 T356 Q363 V364 L365 E369 A370 Y371 A382Y340-A367 HydrophobicContact CD2-CB 3.45Å; Y340-A367 VanDerWaalsContact CD2-CB 3.45Å; Y340-A367 HydrophobicContact CE2-CB 3.92Å; Y340-A367 HydrophobicContact CG-CB 4.02Å; T356-A367 HydrophobicContact CG2-CB 4.4Å; Q363-A367 WeakPolarHBondContact O-CB 3.29Å; Q363-A367 PolarHBondContact O-N 3.11Å; Q363-A367 VanDerWaalsContact O-N 3.07Å; V364-A367 WeakPolarHBondContact O-CA 3.28Å; V364-A367 WeakPolarHBondContact O-CB 3.48Å; V364-A367 PolarHBondContact O-N 3.14Å; L365-A367 VanDerWaalsContact C-N 3.26Å; L365-A367 PolarHBondContact O-N 3.34Å; A367-E369 VanDerWaalsContact C-N 3.33Å; A367-E369 PolarHBondContact O-N 3.12Å; A367-A370 PolarHBondContact O-N 3.45Å; A367-Y371 HydrophobicContact CB-CD2 4.04Å; A367-Y371 HydrophobicContact CB-CE2 3.94Å; A367-Y371 WeakPolarHBondContact O-CB 3.36Å; A367-Y371 WeakPolarHBondContact O-CD2 3.41Å; A367-Y371 PolarHBondContact O-N 3.44Å; A367-A382 HydrophobicContact CB-CB 3.9Å
368I98.4Very high95.5Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-58.9-49.3175.8-59.9169.8000109.4V364 L365 A370 Y371 T372 A382 I383 L386 L404V364-I368 HydrophobicContact CG1-CD1 4.31Å; V364-I368 WeakPolarHBondContact O-CG1 3.36Å; V364-I368 PolarHBondContact O-N 2.88Å; L365-I368 PolarHBondContact O-N 3.37Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 3.12Å; I368-Y371 PolarHBondContact O-N 3.45Å; I368-T372 VanDerWaalsContact O-CB 3.31Å; I368-T372 WeakPolarHBondContact O-CB 3.1Å; I368-T372 PolarHBondContact O-N 3.43Å; I368-T372 PolarHBondContact O-OG1 2.96Å; I368-A382 HydrophobicContact CG1-CB 3.57Å; I368-I383 HydrophobicContact CD1-CG1 3.94Å; I368-I383 HydrophobicContact CG1-CG1 3.98Å; I368-I383 HydrophobicContact CG2-CD1 4.49Å; I368-I383 HydrophobicContact CG2-CG1 4.05Å; I368-L386 HydrophobicContact CD1-CB 3.91Å; I368-L386 HydrophobicContact CD1-CD2 3.53Å; I368-L386 HydrophobicContact CD1-CG 4.34Å; I368-L404 HydrophobicContact CB-CD1 4.48Å; I368-L404 HydrophobicContact CG2-CB 3.87Å
369E97.8Very high95.6Very high89 Ų8930.3 Ų30.342%0.41615%0.152SC..Hα-helixtrans-60.4-40.6179.9-167-176.4158.500112.9K354 L365 A367 R400 L404K354-E369 WeakPolarHBondContact CE-OE2 3.28Å; K354-E369 IonicContact NZ-OE1 3.44Å; K354-E369 PolarHBondContact NZ-OE1 3.23Å; K354-E369 IonicContact NZ-OE2 3.43Å; K354-E369 PolarHBondContact NZ-OE2 3.28Å; L365-E369 WeakPolarHBondContact O-CB 3.24Å; L365-E369 PolarHBondContact O-N 3.48Å; A367-E369 VanDerWaalsContact C-N 3.33Å; A367-E369 PolarHBondContact O-N 3.12Å; E369-R400 IonicContact OE2-CZ 3.66Å; E369-R400 IonicContact OE2-NE 2.68Å; E369-R400 IonicContact OE2-NH2 3.78Å; E369-R400 PolarHBondContact OE2-NH2 3.15Å; E369-L404 HydrophobicContact CB-CD1 4.27Å; E369-L404 HydrophobicContact CB-CD2 3.64Å; E369-L404 HydrophobicContact CG-CD2 3.82Å
370A96.9Very high95.7Very high41 Ų4128.6 Ų28.634%0.33915%0.145SC..Hα-helixtrans-75.3-32.6-178.100000113.6F336 T356 N366 A367 I368F336-A370 HydrophobicContact CE2-CB 3.88Å; F336-A370 HydrophobicContact CZ-CB 3.98Å; T356-A370 HydrophobicContact CG2-CB 4.09Å; N366-A370 VanDerWaalsContact O-CB 3.24Å; N366-A370 WeakPolarHBondContact O-CB 3.45Å; N366-A370 PolarHBondContact O-N 3.05Å; A367-A370 PolarHBondContact O-N 3.45Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 3.12Å
371Y96.8Very high95.9Very high3 Ų328 Ų281%0.01214%0.139CC..Hα-helixtrans-107.5-11.6-167-57.8-35.3000114.4D293 S295 Y340 T356 A367 I368 E373 R375 L378D293-Y371 PolarHBondContact OD1-OH 3.4Å; D293-Y371 VanDerWaalsContact OD2-CE1 3.26Å; D293-Y371 WeakPolarHBondContact OD2-CE1 3.24Å; D293-Y371 PolarHBondContact OD2-OH 2.9Å; S295-Y371 PolarHBondContact OG-OH 3.31Å; Y340-Y371 HydrophobicContact CG-CE2 4.19Å; T356-Y371 HydrophobicContact CG2-CE2 4.24Å; T356-Y371 PolarHBondContact OG1-OH 2.99Å; A367-Y371 HydrophobicContact CB-CD2 4.04Å; A367-Y371 HydrophobicContact CB-CE2 3.94Å; A367-Y371 WeakPolarHBondContact O-CB 3.36Å; A367-Y371 WeakPolarHBondContact O-CD2 3.41Å; A367-Y371 PolarHBondContact O-N 3.44Å; I368-Y371 PolarHBondContact O-N 3.45Å; Y371-E373 VanDerWaalsContact C-N 3.32Å; Y371-E373 PolarHBondContact O-N 3.29Å; Y371-R375 CarbonylContact O-C 3.23Å; Y371-R375 WeakPolarHBondContact O-CA 3.24Å; Y371-R375 WeakPolarHBondContact O-CB 3.35Å; Y371-R375 PolarHBondContact O-N 2.69Å; Y371-R375 VanDerWaalsContact O-N 3.07Å; Y371-L378 HydrophobicContact CD1-CD1 4.34Å; Y371-L378 HydrophobicContact CD2-CB 3.86Å; Y371-L378 HydrophobicContact CD2-CD1 4.11Å; Y371-L378 HydrophobicContact CE2-CD1 4.33Å; Y371-L378 HydrophobicContact CG-CB 4.02Å; Y371-L378 HydrophobicContact CG-CD1 4.14Å
372T95.8Very high95.9Very high14 Ų1426.9 Ų26.99%0.08613%0.134CC..THydrogen-bonded Turntrans-55.9-40.2-176.8-70.50000113I368 A408 C411 H412I368-T372 VanDerWaalsContact O-CB 3.31Å; I368-T372 WeakPolarHBondContact O-CB 3.1Å; I368-T372 PolarHBondContact O-N 3.43Å; I368-T372 PolarHBondContact O-OG1 2.96Å; T372-A408 HydrophobicContact CG2-CB 3.91Å; T372-C411 HydrophobicContact CG2-CB 4.03Å; T372-H412 PolarHBondContact O-CD2 3.42Å; T372-H412 PolarHBondContact O-NE2 3.01Å
373E91.8Very high96Very high80 Ų8023.9 Ų23.937%0.37412%0.118SC..THydrogen-bonded Turntrans-72.8-44.2-169.5-167.8171-166.700114.5R91 Y371R91-E373 IonicContact CZ-OE1 2.96Å; R91-E373 IonicContact NH2-OE1 3.82Å; R91-E373 PolarHBondContact NH2-OE1 2.99Å; Y371-E373 VanDerWaalsContact C-N 3.32Å; Y371-E373 PolarHBondContact O-N 3.29Å
374F92.6Very high96Very high45 Ų4526.4 Ų26.420%0.19713%0.132CC..THydrogen-bonded Turntrans-1251-168.6-60.3-63.4000114.5T114 F140T114-F374 HydrophobicContact CG2-CE1 4.09Å; F140-F374 HydrophobicContact CB-CD1 4.4Å; F140-F374 HydrophobicContact CB-CE1 4.27Å; F140-F374 AromaticContact CD1-CD1 3.8Å; F140-F374 HydrophobicContact CD1-CD1 3.8Å; F140-F374 HydrophobicContact CD1-CE1 4.37Å; F140-F374 AromaticContact CD2-CD1 3.9Å; F140-F374 HydrophobicContact CD2-CD1 3.9Å; F140-F374 HydrophobicContact CD2-CE1 4.48Å; F140-F374 HydrophobicContact CD2-CG 4.42Å; F140-F374 HydrophobicContact CE1-CB 4.4Å; F140-F374 AromaticContact CE1-CD1 3.99Å; F140-F374 HydrophobicContact CE1-CD1 3.99Å; F140-F374 HydrophobicContact CE2-CB 3.96Å; F140-F374 HydrophobicContact CE2-CD1 4.08Å; F140-F374 HydrophobicContact CE2-CG 4.28Å; F140-F374 AromaticContact CG-CD1 3.76Å; F140-F374 HydrophobicContact CG-CD1 3.76Å; F140-F374 HydrophobicContact CG-CE1 4.13Å; F140-F374 HydrophobicContact CZ-CB 3.86Å; F140-F374 HydrophobicContact CZ-CD1 4.12Å; F140-F374 HydrophobicContact CZ-CG 4.41Å; F140-F374 WeakPolarHBondContact CZ-O 3.46Å
375R93.4Very high95.9Very high25 Ų2528.6 Ų28.69%0.09414%0.142CC..  trans-135.165.4-173.2-51.5-177.4-167.91646.4111.2Y239 D261 S263 D293 Y371 E377 L378 A379Y239-R375 HydrophobicContact CD1-CG 3.88Å; Y239-R375 HydrophobicContact CD2-CG 4.49Å; Y239-R375 HydrophobicContact CE1-CB 4.14Å; Y239-R375 HydrophobicContact CE1-CG 3.64Å; Y239-R375 HydrophobicContact CE2-CG 4.28Å; Y239-R375 HydrophobicContact CG-CG 4.3Å; D261-R375 IonicContact OD1-NH1 2.87Å; D261-R375 IonicContact OD1-NH2 3.62Å; D261-R375 IonicContact OD2-CZ 3.77Å; D261-R375 IonicContact OD2-NH1 3.43Å; D261-R375 PolarHBondContact OD2-NH1 3.48Å; D261-R375 IonicContact OD2-NH2 3.33Å; D261-R375 PolarHBondContact OD2-NH2 3.09Å; S263-R375 PolarHBondContact OG-NH1 3.16Å; D293-R375 IonicContact OD2-NH1 3.21Å; D293-R375 PolarHBondContact OD2-NH1 3.37Å; Y371-R375 CarbonylContact O-C 3.23Å; Y371-R375 WeakPolarHBondContact O-CA 3.24Å; Y371-R375 WeakPolarHBondContact O-CB 3.35Å; Y371-R375 PolarHBondContact O-N 2.69Å; Y371-R375 VanDerWaalsContact O-N 3.07Å; R375-E377 PolarHBondContact O-N 2.98Å; R375-E377 VanDerWaalsContact O-N 3.11Å; R375-L378 HydrophobicContact CB-CB 4.3Å; R375-L378 HydrophobicContact CB-CD1 4.42Å; R375-L378 PolarHBondContact O-N 3.31Å; R375-L378 VanDerWaalsContact O-N 3.13Å; R375-A379 PolarHBondContact O-N 3.33Å
376P92.4Very high95.9Very high9 Ų928.6 Ų28.66%0.05814%0.142CC..Hα-helixtrans-55.2-33.2-174.620.7-31.4000112.8A379 H380 I418P376-A379 PolarHBondContact O-N 2.97Å; P376-H380 WeakPolarHBondContact O-CB 3.48Å; P376-H380 PolarHBondContact O-N 3.33Å; P376-I418 HydrophobicContact CB-CD1 3.61Å
377E92.8Very high95.7Very high69 Ų6930 Ų3032%0.32215%0.148SC..Hα-helixtrans-67.6-40.4-178.5-51.480.7-175.500112.5Y239 E265 R375 K381Y239-E377 PolarHBondContact OH-OE2 3.39Å; E265-E377 HydrophobicContact CG-CB 4.42Å; R375-E377 PolarHBondContact O-N 2.98Å; R375-E377 VanDerWaalsContact O-N 3.11Å; E377-K381 WeakPolarHBondContact O-CG 3.33Å; E377-K381 PolarHBondContact O-N 3.41Å
378L94.2Very high95.6Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-74.2-41.5176.3-65.9-175.8000111Y239 Y340 Y371 R375 K381 A382Y239-L378 HydrophobicContact CE2-CD1 3.88Å; Y239-L378 HydrophobicContact CE2-CG 4.45Å; Y340-L378 HydrophobicContact CD1-CD2 4.33Å; Y371-L378 HydrophobicContact CD1-CD1 4.34Å; Y371-L378 HydrophobicContact CD2-CB 3.86Å; Y371-L378 HydrophobicContact CD2-CD1 4.11Å; Y371-L378 HydrophobicContact CE2-CD1 4.33Å; Y371-L378 HydrophobicContact CG-CB 4.02Å; Y371-L378 HydrophobicContact CG-CD1 4.14Å; R375-L378 HydrophobicContact CB-CB 4.3Å; R375-L378 HydrophobicContact CB-CD1 4.42Å; R375-L378 PolarHBondContact O-N 3.31Å; R375-L378 VanDerWaalsContact O-N 3.13Å; L378-K381 PolarHBondContact O-N 3.47Å; L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.16Å
379A95.9Very high95.3Very high0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-59.8-47.2176.200000111.2R375 P376 K381 A382 I383R375-A379 PolarHBondContact O-N 3.33Å; P376-A379 PolarHBondContact O-N 2.97Å; A379-K381 PolarHBondContact O-N 3.26Å; A379-A382 PolarHBondContact O-N 3.3Å; A379-I383 WeakPolarHBondContact O-CB 3.5Å; A379-I383 VanDerWaalsContact O-CG1 3.24Å; A379-I383 WeakPolarHBondContact O-CG1 3.34Å; A379-I383 PolarHBondContact O-N 3.44Å
380H96.3Very high95Very high51 Ų5130.1 Ų30.124%0.23615%0.153CC..Hα-helixtrans-53-49.7174.2164-109.7000112.1P376 A382 I383 N384 S417 I418 T421P376-H380 WeakPolarHBondContact O-CB 3.48Å; P376-H380 PolarHBondContact O-N 3.33Å; H380-A382 PolarHBondContact O-N 3.23Å; H380-I383 PolarHBondContact O-N 2.94Å; H380-N384 WeakPolarHBondContact O-CB 3.18Å; H380-N384 PolarHBondContact O-N 3.38Å; H380-S417 VanDerWaalsContact CD2-C 3.49Å; H380-S417 PolarHBondContact CD2-O 3.06Å; H380-S417 VanDerWaalsContact CD2-O 3.3Å; H380-I418 HydrophobicContact CB-CG1 3.83Å; H380-T421 PolarHBondContact CD2-OG1 2.9Å; H380-T421 VanDerWaalsContact NE2-CG2 3.3Å; H380-T421 WeakPolarHBondContact NE2-CG2 3.45Å
381K96Very high94.7Very high56 Ų5633.8 Ų33.824%0.24316%0.159CC..Hα-helixtrans-62.5-42.1178.3-72.5174.2178.4177.90112.1Y340 D341 E377 L378 A379 N384 Q385Y340-K381 HydrophobicContact CE1-CB 4.09Å; Y340-K381 PolarHBondContact OH-O 3.01Å; D341-K381 WeakPolarHBondContact OD2-CD 3.26Å; D341-K381 IonicContact OD2-NZ 2.72Å; D341-K381 PolarHBondContact OD2-NZ 3.49Å; E377-K381 WeakPolarHBondContact O-CG 3.33Å; E377-K381 PolarHBondContact O-N 3.41Å; L378-K381 PolarHBondContact O-N 3.47Å; A379-K381 PolarHBondContact O-N 3.26Å; K381-N384 WeakPolarHBondContact O-CB 3.4Å; K381-N384 PolarHBondContact O-N 3.4Å; K381-Q385 PolarHBondContact O-N 2.96Å
382A97.5Very high94.3Very high0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-67.8-41.4-179.700000111.4Y340 V364 A367 I368 L378 A379 H380 N384 Q385 L386Y340-A382 HydrophobicContact CE2-CB 3.96Å; Y340-A382 WeakPolarHBondContact OH-CA 3.37Å; Y340-A382 PolarHBondContact OH-N 3.41Å; Y340-A382 VanDerWaalsContact OH-N 3.1Å; V364-A382 VanDerWaalsContact CG1-O 3.22Å; V364-A382 WeakPolarHBondContact CG1-O 3.39Å; A367-A382 HydrophobicContact CB-CB 3.9Å; I368-A382 HydrophobicContact CG1-CB 3.57Å; L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.16Å; A379-A382 PolarHBondContact O-N 3.3Å; H380-A382 PolarHBondContact O-N 3.23Å; A382-N384 VanDerWaalsContact C-N 3.29Å; A382-N384 PolarHBondContact O-N 3.23Å; A382-Q385 PolarHBondContact O-N 3.45Å; A382-L386 PolarHBondContact O-N 3.01Å
383I98Very high93.7Very high0 Ų044.7 Ų44.70%021%0.211CC..Hα-helixtrans-61.8-39.2172.9-66.6164.3000110.6I368 A379 H380 Q385 L386 F387 A408 I418 A425I368-I383 HydrophobicContact CD1-CG1 3.94Å; I368-I383 HydrophobicContact CG1-CG1 3.98Å; I368-I383 HydrophobicContact CG2-CD1 4.49Å; I368-I383 HydrophobicContact CG2-CG1 4.05Å; A379-I383 WeakPolarHBondContact O-CB 3.5Å; A379-I383 VanDerWaalsContact O-CG1 3.24Å; A379-I383 WeakPolarHBondContact O-CG1 3.34Å; A379-I383 PolarHBondContact O-N 3.44Å; H380-I383 PolarHBondContact O-N 2.94Å; I383-Q385 VanDerWaalsContact C-N 3.34Å; I383-Q385 PolarHBondContact O-N 3.29Å; I383-L386 WeakPolarHBondContact O-CB 3.47Å; I383-L386 PolarHBondContact O-N 3.46Å; I383-F387 WeakPolarHBondContact O-CB 3.46Å; I383-F387 PolarHBondContact O-N 3.39Å; I383-A408 HydrophobicContact CD1-CB 3.5Å; I383-I418 HydrophobicContact CD1-CG2 4.28Å; I383-A425 HydrophobicContact CG2-CB 4.36Å
384N97Very high93.3Very high64 Ų6447.3 Ų47.334%0.34222%0.223SC..Hα-helixtrans-64.3-37.6176-169.477.7000112.4H380 K381 A382 F387 D388 T421H380-N384 WeakPolarHBondContact O-CB 3.18Å; H380-N384 PolarHBondContact O-N 3.38Å; K381-N384 WeakPolarHBondContact O-CB 3.4Å; K381-N384 PolarHBondContact O-N 3.4Å; A382-N384 VanDerWaalsContact C-N 3.29Å; A382-N384 PolarHBondContact O-N 3.23Å; N384-F387 WeakPolarHBondContact O-CB 3.16Å; N384-F387 PolarHBondContact O-N 3.29Å; N384-D388 PolarHBondContact O-N 2.96Å; N384-D388 VanDerWaalsContact O-N 3.14Å; N384-T421 HydrophobicContact CB-CG2 4.22Å
385Q96.1Very high93.1Very high49 Ų4945.4 Ų45.423%0.22922%0.216CC..Hα-helixtrans-67.5-39.2172.3-70.1-179.77.300111.9Y340 V364 K381 A382 I383 F387 D388 I389Y340-Q385 PolarHBondContact OH-NE2 3.27Å; Y340-Q385 VanDerWaalsContact OH-NE2 3.11Å; Y340-Q385 PolarHBondContact OH-OE1 3.13Å; V364-Q385 HydrophobicContact CG1-CB 4.14Å; V364-Q385 HydrophobicContact CG2-CB 4.17Å; K381-Q385 PolarHBondContact O-N 2.96Å; A382-Q385 PolarHBondContact O-N 3.45Å; I383-Q385 VanDerWaalsContact C-N 3.34Å; I383-Q385 PolarHBondContact O-N 3.29Å; Q385-F387 VanDerWaalsContact C-N 3.31Å; Q385-F387 PolarHBondContact O-N 3.3Å; Q385-D388 PolarHBondContact O-N 3.05Å; Q385-I389 WeakPolarHBondContact O-CG1 3.38Å; Q385-I389 PolarHBondContact O-N 2.78Å
386L97.2Very high92.9Very high0 Ų048.2 Ų48.20%024%0.239CC..Hα-helixtrans-62.2-39.9173.6176.763.4000111.6V364 L365 I368 A382 I383 D388 I389 A390 A401 V405 L429V364-L386 HydrophobicContact CG1-CB 3.96Å; L365-L386 HydrophobicContact CD2-CD1 3.92Å; L365-L386 HydrophobicContact CD2-CD2 3.99Å; I368-L386 HydrophobicContact CD1-CB 3.91Å; I368-L386 HydrophobicContact CD1-CD2 3.53Å; I368-L386 HydrophobicContact CD1-CG 4.34Å; A382-L386 PolarHBondContact O-N 3.01Å; I383-L386 WeakPolarHBondContact O-CB 3.47Å; I383-L386 PolarHBondContact O-N 3.46Å; L386-D388 VanDerWaalsContact C-N 3.34Å; L386-D388 PolarHBondContact O-N 3.48Å; L386-I389 PolarHBondContact O-N 2.84Å; L386-A390 WeakPolarHBondContact O-CB 3.22Å; L386-A390 PolarHBondContact O-N 3.17Å; L386-A401 HydrophobicContact CD1-CB 4.12Å; L386-A401 HydrophobicContact CD2-CB 4.03Å; L386-V405 HydrophobicContact CD2-CG2 3.68Å; L386-L429 HydrophobicContact CD2-CD1 4.42Å
387F95.5Very high92.9Very high35 Ų3550.5 Ų50.515%0.15425%0.249CC..Hα-helixtrans-56.7-46.7172.6161.6-96.2000111.4I383 N384 Q385 I389 A390 R391 A424 A425 Y428I383-F387 WeakPolarHBondContact O-CB 3.46Å; I383-F387 PolarHBondContact O-N 3.39Å; N384-F387 WeakPolarHBondContact O-CB 3.16Å; N384-F387 PolarHBondContact O-N 3.29Å; Q385-F387 VanDerWaalsContact C-N 3.31Å; Q385-F387 PolarHBondContact O-N 3.3Å; F387-I389 VanDerWaalsContact C-N 3.34Å; F387-I389 PolarHBondContact O-N 3.2Å; F387-A390 PolarHBondContact O-N 2.72Å; F387-R391 VanDerWaalsContact O-CB 3.22Å; F387-R391 WeakPolarHBondContact O-CB 2.73Å; F387-R391 PolarHBondContact O-N 3.33Å; F387-A424 HydrophobicContact CD2-CB 3.76Å; F387-A424 HydrophobicContact CE2-CB 3.68Å; F387-A425 HydrophobicContact CB-CB 4.19Å; F387-Y428 HydrophobicContact CD2-CD2 4.04Å; F387-Y428 HydrophobicContact CD2-CE2 4.22Å; F387-Y428 AromaticContact CE2-CD2 3.78Å; F387-Y428 HydrophobicContact CE2-CD2 3.78Å; F387-Y428 AromaticContact CE2-CE2 3.49Å; F387-Y428 HydrophobicContact CE2-CE2 3.49Å; F387-Y428 VanDerWaalsContact CE2-CE2 3.49Å; F387-Y428 HydrophobicContact CZ-CE2 4.17Å
388D94.4Very high92.8Very high56 Ų5647.9 Ų47.930%0.29924%0.237SC..Hα-helixtrans-64.2-38.4176.9-77.5-38.2000112.3N384 Q385 L386 R391 I392N384-D388 PolarHBondContact O-N 2.96Å; N384-D388 VanDerWaalsContact O-N 3.14Å; Q385-D388 PolarHBondContact O-N 3.05Å; L386-D388 VanDerWaalsContact C-N 3.34Å; L386-D388 PolarHBondContact O-N 3.48Å; D388-R391 IonicContact OD1-CZ 3.09Å; D388-R391 IonicContact OD1-NE 2.73Å; D388-R391 IonicContact OD1-NH2 3.66Å; D388-R391 PolarHBondContact OD1-NH2 2.79Å; D388-I392 WeakPolarHBondContact O-CB 3.43Å; D388-I392 WeakPolarHBondContact O-CG1 3.49Å; D388-I392 PolarHBondContact O-N 3.18Å
389I93.1Very high92.6Very high17 Ų1751.3 Ų51.39%0.08726%0.255CS..Hα-helixtrans-61.5-51.6173.1-67.6168000110.3E361 V364 Q385 L386 F387 R391 Q393E361-I389 HydrophobicContact CB-CD1 4.47Å; V364-I389 HydrophobicContact CB-CD1 4.4Å; V364-I389 HydrophobicContact CG2-CD1 4.14Å; Q385-I389 WeakPolarHBondContact O-CG1 3.38Å; Q385-I389 PolarHBondContact O-N 2.78Å; L386-I389 PolarHBondContact O-N 2.84Å; F387-I389 VanDerWaalsContact C-N 3.34Å; F387-I389 PolarHBondContact O-N 3.2Å; I389-R391 VanDerWaalsContact C-N 3.28Å; I389-R391 PolarHBondContact O-N 3.36Å; I389-Q393 HydrophobicContact CG2-CB 4.44Å; I389-Q393 CarbonylContact O-C 3.32Å; I389-Q393 VanDerWaalsContact O-C 3.32Å; I389-Q393 VanDerWaalsContact O-CA 3.29Å; I389-Q393 WeakPolarHBondContact O-CA 3.29Å; I389-Q393 WeakPolarHBondContact O-CB 3.44Å; I389-Q393 PolarHBondContact O-N 3.16Å
390A91.2Very high92.6Very high18 Ų1854.1 Ų54.115%0.14927%0.265CS..Hα-helixtrans-65-30.6-177.600000113L386 F387 L429L386-A390 WeakPolarHBondContact O-CB 3.22Å; L386-A390 PolarHBondContact O-N 3.17Å; F387-A390 PolarHBondContact O-N 2.72Å; A390-L429 HydrophobicContact CB-CD2 3.99Å; A390-L429 HydrophobicContact CB-CG 4.33Å
391R90.9Very high92.6Very high118 Ų11851.7 Ų51.745%0.44525%0.254SS..Hα-helixtrans-81-38.7-179.5178.7173.766.2123.8-1113.5F387 D388 I389 Y428F387-R391 VanDerWaalsContact O-CB 3.22Å; F387-R391 WeakPolarHBondContact O-CB 2.73Å; F387-R391 PolarHBondContact O-N 3.33Å; D388-R391 IonicContact OD1-CZ 3.09Å; D388-R391 IonicContact OD1-NE 2.73Å; D388-R391 IonicContact OD1-NH2 3.66Å; D388-R391 PolarHBondContact OD1-NH2 2.79Å; I389-R391 VanDerWaalsContact C-N 3.28Å; I389-R391 PolarHBondContact O-N 3.36Å; R391-Y428 HydrophobicContact CB-CD1 4.29Å; R391-Y428 HydrophobicContact CB-CD2 4.17Å; R391-Y428 HydrophobicContact CB-CE1 4.14Å; R391-Y428 HydrophobicContact CB-CE2 4.01Å; R391-Y428 HydrophobicContact CB-CG 4.31Å; R391-Y428 WeakPolarHBondContact CD-OH 3.28Å; R391-Y428 HydrophobicContact CG-CD1 4.49Å; R391-Y428 HydrophobicContact CG-CE1 3.86Å; R391-Y428 HydrophobicContact CG-CE2 3.99Å
392I88.8Confident92.5Very high117 Ų11749 Ų4960%0.624%0.242SC*.Hα-helixtrans-107.9-26.8-168.5-56.4172.2000111.8D388D388-I392 WeakPolarHBondContact O-CB 3.43Å; D388-I392 WeakPolarHBondContact O-CG1 3.49Å; D388-I392 PolarHBondContact O-N 3.18Å
393Q83.3Confident92.4Very high129 Ų12954.4 Ų54.460%0.60327%0.268SS*.SBendtrans-123.8172.9-173.3-53179.121.100110.4I389I389-Q393 HydrophobicContact CG2-CB 4.44Å; I389-Q393 CarbonylContact O-C 3.32Å; I389-Q393 VanDerWaalsContact O-C 3.32Å; I389-Q393 VanDerWaalsContact O-CA 3.29Å; I389-Q393 WeakPolarHBondContact O-CA 3.29Å; I389-Q393 WeakPolarHBondContact O-CB 3.44Å; I389-Q393 PolarHBondContact O-N 3.16Å
394H82.5Confident92.4Very high136 Ų13655.4 Ų55.463%0.6327%0.273SS*.  trans-85.5116.2173.1179.9-72000110.2S396H394-S396 PolarHBondContact O-N 3.22Å
395C88.7Confident92.4Very high5 Ų552.3 Ų52.33%0.03426%0.257CS..  trans-75.5115.1172.9-179.10000110.4E361E361-C395 PolarHBondContact OE1-SG 2.93Å
396S89.9Confident92.4Very high83 Ų8350.4 Ų50.458%0.5825%0.248SC*.SBendtrans-82.9-27.7-175.663.10000113.9E361 H394E361-S396 VanDerWaalsContact CD-OG 3.27Å; E361-S396 PolarHBondContact OE1-N 3Å; E361-S396 VanDerWaalsContact OE1-N 3.08Å; E361-S396 PolarHBondContact OE1-OG 2.71Å; E361-S396 WeakPolarHBondContact OE2-CB 3.34Å; E361-S396 PolarHBondContact OE2-N 2.72Å; E361-S396 PolarHBondContact OE2-OG 3.37Å; H394-S396 PolarHBondContact O-N 3.22Å
397Q92Very high92.3Very high58 Ų5852.6 Ų52.627%0.27127%0.266SS..  trans-109.748.4-177.5-58.8-176.860.700111.3E361 D362 L365 L399 R400 A401E361-Q397 WeakPolarHBondContact OE1-CA 3.15Å; E361-Q397 WeakPolarHBondContact OE1-CB 3.47Å; E361-Q397 PolarHBondContact OE1-N 3.42Å; D362-Q397 PolarHBondContact OD1-NE2 3.42Å; L365-Q397 HydrophobicContact CD1-CB 3.69Å; L365-Q397 HydrophobicContact CD1-CG 4.27Å; Q397-L399 VanDerWaalsContact C-N 3.35Å; Q397-L399 PolarHBondContact O-N 3.25Å; Q397-R400 HydrophobicContact CB-CB 4.26Å; Q397-R400 PolarHBondContact O-N 3.2Å; Q397-R400 VanDerWaalsContact O-N 3.08Å; Q397-A401 PolarHBondContact O-N 3.18Å
398L90.4Very high92.4Very high13 Ų1351 Ų517%0.06826%0.259CS..Hα-helixtrans-54.4-44.2-170.2-173.5142.2000114.2R400 A401 L402 Y434 Q438L398-R400 VanDerWaalsContact C-N 3.33Å; L398-R400 PolarHBondContact O-N 3.27Å; L398-A401 PolarHBondContact O-N 3.34Å; L398-L402 VanDerWaalsContact O-CB 3.3Å; L398-L402 WeakPolarHBondContact O-CB 3.45Å; L398-L402 PolarHBondContact O-N 3.3Å; L398-Y434 HydrophobicContact CD1-CD1 3.41Å; L398-Y434 VanDerWaalsContact CD1-CD1 3.41Å; L398-Y434 HydrophobicContact CD1-CD2 3.33Å; L398-Y434 HydrophobicContact CD1-CE1 3.76Å; L398-Y434 HydrophobicContact CD1-CE2 3.68Å; L398-Y434 HydrophobicContact CD1-CG 3.16Å; L398-Y434 HydrophobicContact CG-CG 4.45Å; L398-Q438 HydrophobicContact CD2-CG 4.47Å
399L90.9Very high92.4Very high73 Ų7348.7 Ų48.738%0.38225%0.246SC..Hα-helixtrans-62.1-42.4179.8-66.1178.5000112.1Q397 L402 Q403 D437 L442Q397-L399 VanDerWaalsContact C-N 3.35Å; Q397-L399 PolarHBondContact O-N 3.25Å; L399-L402 PolarHBondContact O-N 3Å; L399-Q403 WeakPolarHBondContact O-CB 3.48Å; L399-Q403 VanDerWaalsContact O-CG 3.23Å; L399-Q403 WeakPolarHBondContact O-CG 3.43Å; L399-Q403 PolarHBondContact O-N 3.46Å; L399-D437 WeakPolarHBondContact CD2-O 3.47Å; L399-L442 HydrophobicContact CD2-CD2 3.81Å
400R94.3Very high92.3Very high58 Ų5850.7 Ų50.722%0.21925%0.254CS..Hα-helixtrans-66.7-45177.2-175.6-178.6175.6-153.2-1.6110.7D362 N366 E369 Q397 L398 L402 Q403 L404D362-R400 IonicContact OD1-NH1 2.6Å; D362-R400 PolarHBondContact OD1-NH1 3.43Å; N366-R400 PolarHBondContact OD1-NH2 2.99Å; E369-R400 IonicContact OE2-CZ 3.66Å; E369-R400 IonicContact OE2-NE 2.68Å; E369-R400 IonicContact OE2-NH2 3.78Å; E369-R400 PolarHBondContact OE2-NH2 3.15Å; Q397-R400 HydrophobicContact CB-CB 4.26Å; Q397-R400 PolarHBondContact O-N 3.2Å; Q397-R400 VanDerWaalsContact O-N 3.08Å; L398-R400 VanDerWaalsContact C-N 3.33Å; L398-R400 PolarHBondContact O-N 3.27Å; R400-L402 VanDerWaalsContact C-N 3.34Å; R400-L402 PolarHBondContact O-N 3.2Å; R400-Q403 PolarHBondContact O-N 3.04Å; R400-L404 HydrophobicContact CG-CD1 4.02Å; R400-L404 HydrophobicContact CG-CG 4.47Å; R400-L404 WeakPolarHBondContact O-CB 3.5Å; R400-L404 VanDerWaalsContact O-CG 3.23Å; R400-L404 WeakPolarHBondContact O-CG 3.5Å; R400-L404 PolarHBondContact O-N 2.77Å
401A96Very high92.2Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-56.6-48.7175.500000111.5L365 L386 Q397 L398 L404 V405 L429L365-A401 HydrophobicContact CD2-CB 3.78Å; L386-A401 HydrophobicContact CD1-CB 4.12Å; L386-A401 HydrophobicContact CD2-CB 4.03Å; Q397-A401 PolarHBondContact O-N 3.18Å; L398-A401 PolarHBondContact O-N 3.34Å; A401-L404 PolarHBondContact O-N 3.43Å; A401-V405 WeakPolarHBondContact O-CG2 3.15Å; A401-V405 PolarHBondContact O-N 3.33Å; A401-L429 HydrophobicContact CB-CD1 4.2Å; A401-L429 HydrophobicContact CB-CD2 3.96Å
402L95.1Very high92.2Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-62.4-46.5-179.9-171.356.2000111.7L398 L399 R400 L404 V405 I406 L426 L429 T430 Q438 L442 V446L398-L402 VanDerWaalsContact O-CB 3.3Å; L398-L402 WeakPolarHBondContact O-CB 3.45Å; L398-L402 PolarHBondContact O-N 3.3Å; L399-L402 PolarHBondContact O-N 3Å; R400-L402 VanDerWaalsContact C-N 3.34Å; R400-L402 PolarHBondContact O-N 3.2Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 3.46Å; L402-V405 PolarHBondContact O-N 3.05Å; L402-I406 HydrophobicContact CD1-CD1 4.3Å; L402-I406 HydrophobicContact CG-CD1 4Å; L402-I406 WeakPolarHBondContact O-CB 3.32Å; L402-I406 WeakPolarHBondContact O-CD1 3.48Å; L402-I406 VanDerWaalsContact O-CG1 3.22Å; L402-I406 WeakPolarHBondContact O-CG1 3.32Å; L402-I406 PolarHBondContact O-N 3.05Å; L402-L426 HydrophobicContact CD1-CD2 3.4Å; L402-L429 HydrophobicContact CD1-CB 4.13Å; L402-T430 HydrophobicContact CD1-CG2 4.07Å; L402-Q438 HydrophobicContact CD2-CG 4.23Å; L402-L442 HydrophobicContact CD2-CD1 4.38Å; L402-L442 HydrophobicContact CD2-CD2 3.68Å; L402-L442 HydrophobicContact CD2-CG 3.81Å; L402-L442 HydrophobicContact CG-CD1 4.35Å; L402-L442 HydrophobicContact CG-CD2 4.33Å; L402-L442 HydrophobicContact CG-CG 4.32Å; L402-V446 HydrophobicContact CD1-CG2 3.73Å; L402-V446 HydrophobicContact CD2-CG2 4.17Å; L402-V446 HydrophobicContact CG-CG2 4.17Å
403Q95.3Very high92.2Very high113 Ų11342 Ų4253%0.52822%0.216SC..Hα-helixtrans-59.8-42.4176.4-75171.6-20.200112.6L399 R400 A407 L442L399-Q403 WeakPolarHBondContact O-CB 3.48Å; L399-Q403 VanDerWaalsContact O-CG 3.23Å; L399-Q403 WeakPolarHBondContact O-CG 3.43Å; L399-Q403 PolarHBondContact O-N 3.46Å; R400-Q403 PolarHBondContact O-N 3.04Å; Q403-A407 WeakPolarHBondContact O-CB 3.42Å; Q403-A407 PolarHBondContact O-N 2.96Å; Q403-L442 HydrophobicContact CG-CD1 4.13Å
404L97.6Very high92.4Very high21 Ų2141.6 Ų41.611%0.1121%0.21CC..Hα-helixtrans-67.7-41.2179.1-71.3174.6000112.2L365 I368 E369 R400 A401 L402 A407 A408L365-L404 HydrophobicContact CB-CD1 4Å; L365-L404 HydrophobicContact CD2-CD1 4.01Å; L365-L404 WeakPolarHBondContact O-CD1 3.31Å; I368-L404 HydrophobicContact CB-CD1 4.48Å; I368-L404 HydrophobicContact CG2-CB 3.87Å; E369-L404 HydrophobicContact CB-CD1 4.27Å; E369-L404 HydrophobicContact CB-CD2 3.64Å; E369-L404 HydrophobicContact CG-CD2 3.82Å; R400-L404 HydrophobicContact CG-CD1 4.02Å; R400-L404 HydrophobicContact CG-CG 4.47Å; R400-L404 WeakPolarHBondContact O-CB 3.5Å; R400-L404 VanDerWaalsContact O-CG 3.23Å; R400-L404 WeakPolarHBondContact O-CG 3.5Å; R400-L404 PolarHBondContact O-N 2.77Å; A401-L404 PolarHBondContact O-N 3.43Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 3.46Å; L404-A407 PolarHBondContact O-N 2.81Å; L404-A408 WeakPolarHBondContact O-CB 3.49Å; L404-A408 PolarHBondContact O-N 3.16Å
405V97.9Very high92.9Very high0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-66.7-41.8176.3175.50000111.1L386 A401 L402 A407 A408 L409 G422 A425 L426 L429L386-V405 HydrophobicContact CD2-CG2 3.68Å; A401-V405 WeakPolarHBondContact O-CG2 3.15Å; A401-V405 PolarHBondContact O-N 3.33Å; L402-V405 PolarHBondContact O-N 3.05Å; V405-A407 VanDerWaalsContact C-N 3.35Å; V405-A407 PolarHBondContact O-N 3.12Å; V405-A408 PolarHBondContact O-N 3.18Å; V405-L409 HydrophobicContact CG1-CD1 3.94Å; V405-L409 HydrophobicContact CG1-CG 4.4Å; V405-L409 WeakPolarHBondContact O-CG 3.48Å; V405-L409 PolarHBondContact O-N 3.06Å; V405-G422 WeakPolarHBondContact CG1-O 3.34Å; V405-A425 HydrophobicContact CG1-CB 4.4Å; V405-A425 HydrophobicContact CG2-CB 4.29Å; V405-L426 HydrophobicContact CB-CD2 4.2Å; V405-L426 HydrophobicContact CG1-CD2 3.67Å; V405-L426 HydrophobicContact CG1-CG 3.76Å; V405-L429 HydrophobicContact CG2-CD1 3.96Å
406I95.9Very high93.1Very high9 Ų941.8 Ų41.85%0.04621%0.21CC..Hα-helixtrans-58.7-47.4173.4-70164.3000110.4L402 A408 L409 K410 L426 L442 D445 V446 V449L402-I406 HydrophobicContact CD1-CD1 4.3Å; L402-I406 HydrophobicContact CG-CD1 4Å; L402-I406 WeakPolarHBondContact O-CB 3.32Å; L402-I406 WeakPolarHBondContact O-CD1 3.48Å; L402-I406 VanDerWaalsContact O-CG1 3.22Å; L402-I406 WeakPolarHBondContact O-CG1 3.32Å; L402-I406 PolarHBondContact O-N 3.05Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 3.32Å; I406-L409 PolarHBondContact O-N 2.73Å; I406-K410 HydrophobicContact CG2-CD 4.12Å; I406-K410 HydrophobicContact CG2-CG 4.45Å; I406-K410 WeakPolarHBondContact O-CG 3.43Å; I406-K410 PolarHBondContact O-N 3.11Å; I406-L426 HydrophobicContact CG1-CD2 4.4Å; I406-L442 HydrophobicContact CD1-CD1 3.53Å; I406-L442 HydrophobicContact CD1-CG 4.49Å; I406-D445 HydrophobicContact CD1-CB 4.09Å; I406-D445 HydrophobicContact CG2-CB 4.26Å; I406-V446 HydrophobicContact CD1-CG2 3.78Å; I406-V446 HydrophobicContact CG1-CG2 4.27Å; I406-V449 HydrophobicContact CG1-CG2 4.38Å; I406-V449 HydrophobicContact CG2-CG1 4.02Å
407A94.4Very high93.4Very high46 Ų4640.6 Ų40.638%0.3820%0.202SC..Hα-helixtrans-60.2-42.3178.700000111.8Q403 L404 V405 K410 C411Q403-A407 WeakPolarHBondContact O-CB 3.42Å; Q403-A407 PolarHBondContact O-N 2.96Å; L404-A407 PolarHBondContact O-N 2.81Å; V405-A407 VanDerWaalsContact C-N 3.35Å; V405-A407 PolarHBondContact O-N 3.12Å; A407-K410 PolarHBondContact O-N 3.01Å; A407-C411 WeakPolarHBondContact O-CB 3.23Å; A407-C411 PolarHBondContact O-N 3.25Å
408A96.7Very high93.6Very high0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-65-43.6177.300000113.1T372 I383 L404 V405 I406 K410 C411 H412 I418T372-A408 HydrophobicContact CG2-CB 3.91Å; I383-A408 HydrophobicContact CD1-CB 3.5Å; L404-A408 WeakPolarHBondContact O-CB 3.49Å; L404-A408 PolarHBondContact O-N 3.16Å; V405-A408 PolarHBondContact O-N 3.18Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 3.32Å; A408-K410 VanDerWaalsContact C-N 3.35Å; A408-K410 PolarHBondContact O-N 3.02Å; A408-C411 PolarHBondContact O-N 3.02Å; A408-H412 PolarHBondContact O-N 2.98Å; A408-I418 HydrophobicContact CB-CG2 4.39Å
409L95.5Very high93.9Very high8 Ų837.5 Ų37.54%0.04219%0.187CC..Hα-helixtrans-66.7-34.5177.2-70.1170.3000112.6V405 I406 I418 Q419 L426 V449V405-L409 HydrophobicContact CG1-CD1 3.94Å; V405-L409 HydrophobicContact CG1-CG 4.4Å; V405-L409 WeakPolarHBondContact O-CG 3.48Å; V405-L409 PolarHBondContact O-N 3.06Å; I406-L409 PolarHBondContact O-N 2.73Å; L409-I418 HydrophobicContact CD2-CG2 4.46Å; L409-Q419 HydrophobicContact CD2-CG 4.5Å; L409-Q419 PolarHBondContact O-NE2 3.05Å; L409-L426 HydrophobicContact CD1-CD1 3.35Å; L409-L426 HydrophobicContact CD1-CG 3.96Å; L409-V449 HydrophobicContact CB-CB 4.19Å; L409-V449 HydrophobicContact CB-CG1 4.49Å; L409-V449 HydrophobicContact CD1-CB 4.41Å; L409-V449 HydrophobicContact CD1-CG2 4.04Å
410K90.9Very high94.1Very high59 Ų5935.7 Ų35.726%0.25718%0.179SC..Hα-helixtrans-69.9-43.6172.7-72.1-176-179.7-176.80111.6I406 A407 A408 D445 V449I406-K410 HydrophobicContact CG2-CD 4.12Å; I406-K410 HydrophobicContact CG2-CG 4.45Å; I406-K410 WeakPolarHBondContact O-CG 3.43Å; I406-K410 PolarHBondContact O-N 3.11Å; A407-K410 PolarHBondContact O-N 3.01Å; A408-K410 VanDerWaalsContact C-N 3.35Å; A408-K410 PolarHBondContact O-N 3.02Å; K410-D445 IonicContact NZ-OD1 3.74Å; K410-D445 PolarHBondContact NZ-OD1 3.26Å; K410-V449 HydrophobicContact CD-CG1 4.2Å; K410-V449 HydrophobicContact CG-CG1 3.51Å
411C89.8Confident94.2Very high32 Ų3233.4 Ų33.422%0.21617%0.172CC..Hα-helixtrans-68.8-34.6-177.2-172.10000112.8T372 A407 A408T372-C411 HydrophobicContact CG2-CB 4.03Å; A407-C411 WeakPolarHBondContact O-CB 3.23Å; A407-C411 PolarHBondContact O-N 3.25Å; A408-C411 PolarHBondContact O-N 3.02Å
412H90.6Very high94.3Very high12 Ų1233.4 Ų33.46%0.05617%0.172CC..THydrogen-bonded Turntrans-119.656.5-175.2-67.8-65.2000111.7T372 A408 Y414 D415 I418 Q419T372-H412 PolarHBondContact O-CD2 3.42Å; T372-H412 PolarHBondContact O-NE2 3.01Å; A408-H412 PolarHBondContact O-N 2.98Å; H412-Y414 PolarHBondContact O-N 3.3Å; H412-D415 HydrophobicContact CB-CB 3.85Å; H412-D415 PolarHBondContact O-N 3.41Å; H412-I418 HydrophobicContact CB-CB 4.23Å; H412-I418 HydrophobicContact CB-CD1 3.6Å; H412-I418 HydrophobicContact CB-CG1 4.5Å; H412-I418 HydrophobicContact CB-CG2 4.09Å; H412-I418 WeakPolarHBondContact CD2-CD1 3.42Å; H412-I418 VanDerWaalsContact CG-CD1 3.43Å; H412-Q419 PolarHBondContact O-NE2 3.47Å
413K87.6Confident94.3Very high28 Ų2833.6 Ų33.612%0.12217%0.173CC..THydrogen-bonded Turntrans-58.1-32179.5-175.3-179.2177.9-179.10112.7H62 Y457H62-K413 PolarHBondContact O-NZ 2.91Å; K413-Y457 VanDerWaalsContact O-CE2 3.3Å; K413-Y457 WeakPolarHBondContact O-CE2 3.14Å; K413-Y457 PolarHBondContact O-OH 2.92Å
414Y88.7Confident94.4Very high119 Ų11928.9 Ų28.947%0.46715%0.153SC..THydrogen-bonded Turntrans-101.90.7-177.8-52.7-56.8000114.7E92 H412 K416 Q456 Y457E92-Y414 WeakPolarHBondContact OE2-CE2 3.4Å; H412-Y414 PolarHBondContact O-N 3.3Å; Y414-K416 PolarHBondContact O-N 3.47Å; Y414-Q456 HydrophobicContact CD1-CG 4.13Å; Y414-Q456 HydrophobicContact CE1-CG 4.47Å; Y414-Y457 WeakPolarHBondContact CA-OH 3.44Å; Y414-Y457 PolarHBondContact O-OH 3.17Å
415D92.1Very high94.3Very high43 Ų4327.9 Ų27.923%0.2315%0.148CC..  trans-86.3106.6171.4-169.2-59.2000111H412 S417 I418 Q419 Y457H412-D415 HydrophobicContact CB-CB 3.85Å; H412-D415 PolarHBondContact O-N 3.41Å; D415-S417 VanDerWaalsContact C-N 3.27Å; D415-S417 PolarHBondContact O-N 3.33Å; D415-S417 WeakPolarHBondContact OD1-CA 3.38Å; D415-S417 WeakPolarHBondContact OD1-CB 3.39Å; D415-S417 PolarHBondContact OD1-N 2.98Å; D415-I418 HydrophobicContact CB-CB 4.18Å; D415-I418 HydrophobicContact CB-CD1 4.15Å; D415-I418 HydrophobicContact CB-CG1 4.29Å; D415-I418 PolarHBondContact O-N 2.97Å; D415-I418 PolarHBondContact OD1-N 3.08Å; D415-Q419 WeakPolarHBondContact O-CG 3.37Å; D415-Q419 PolarHBondContact O-N 3.41Å; D415-Y457 PolarHBondContact N-OH 2.99Å
416K93.8Very high94.2Very high102 Ų10227.9 Ų27.944%0.44315%0.148SC..Hα-helixtrans-55.1-41.4179.9-174.7-175.8179.1-175.20112.8Y414 Q419 V420 Y457 E459Y414-K416 PolarHBondContact O-N 3.47Å; K416-Q419 PolarHBondContact O-N 3.16Å; K416-V420 HydrophobicContact CG-CG2 4.49Å; K416-V420 VanDerWaalsContact O-CG2 3.29Å; K416-V420 WeakPolarHBondContact O-CG2 3.47Å; K416-V420 PolarHBondContact O-N 3.42Å; K416-Y457 HydrophobicContact CB-CE1 3.83Å; K416-Y457 HydrophobicContact CG-CD1 4.29Å; K416-Y457 HydrophobicContact CG-CE1 4.07Å; K416-Y457 PolarHBondContact N-OH 3.15Å; K416-E459 WeakPolarHBondContact CE-OE1 3.23Å; K416-E459 WeakPolarHBondContact CE-OE2 3.48Å; K416-E459 IonicContact NZ-OE1 3.06Å; K416-E459 PolarHBondContact NZ-OE1 2.87Å; K416-E459 IonicContact NZ-OE2 3.22Å; K416-E459 PolarHBondContact NZ-OE2 2.9Å
417S95.4Very high94.1Very high59 Ų5930.1 Ų30.141%0.41316%0.158SC..Hα-helixtrans-69.1-44.3-173.2-50.90000110.6H380 D415 Q419 V420 T421H380-S417 VanDerWaalsContact CD2-C 3.49Å; H380-S417 PolarHBondContact CD2-O 3.06Å; H380-S417 VanDerWaalsContact CD2-O 3.3Å; D415-S417 VanDerWaalsContact C-N 3.27Å; D415-S417 PolarHBondContact O-N 3.33Å; D415-S417 WeakPolarHBondContact OD1-CA 3.38Å; D415-S417 WeakPolarHBondContact OD1-CB 3.39Å; D415-S417 PolarHBondContact OD1-N 2.98Å; S417-Q419 VanDerWaalsContact C-N 3.34Å; S417-V420 PolarHBondContact O-N 3.39Å; S417-T421 PolarHBondContact O-N 3.29Å; S417-T421 PolarHBondContact O-OG1 3.4Å
418I96.3Very high94.1Very high0 Ų031.5 Ų31.50%015%0.154CC..Hα-helixtrans-64.1-40.8175.7-67.4175.6000111P376 H380 I383 A408 L409 H412 D415 V420 T421 G422P376-I418 HydrophobicContact CB-CD1 3.61Å; H380-I418 HydrophobicContact CB-CG1 3.83Å; I383-I418 HydrophobicContact CD1-CG2 4.28Å; A408-I418 HydrophobicContact CB-CG2 4.39Å; L409-I418 HydrophobicContact CD2-CG2 4.46Å; H412-I418 HydrophobicContact CB-CB 4.23Å; H412-I418 HydrophobicContact CB-CD1 3.6Å; H412-I418 HydrophobicContact CB-CG1 4.5Å; H412-I418 HydrophobicContact CB-CG2 4.09Å; H412-I418 WeakPolarHBondContact CD2-CD1 3.42Å; H412-I418 VanDerWaalsContact CG-CD1 3.43Å; D415-I418 HydrophobicContact CB-CB 4.18Å; D415-I418 HydrophobicContact CB-CD1 4.15Å; D415-I418 HydrophobicContact CB-CG1 4.29Å; D415-I418 PolarHBondContact O-N 2.97Å; D415-I418 PolarHBondContact OD1-N 3.08Å; I418-V420 PolarHBondContact O-N 3.43Å; I418-T421 PolarHBondContact O-N 3.32Å; I418-G422 WeakPolarHBondContact O-CA 3.24Å; I418-G422 PolarHBondContact O-N 2.97Å
419Q96.2Very high93.9Very high5 Ų531.6 Ų31.62%0.02315%0.154CC..Hα-helixtrans-65.3-39.9179.9-66.4-71.1-31.100111.7L409 H412 D415 K416 S417 S423 Y457L409-Q419 HydrophobicContact CD2-CG 4.5Å; L409-Q419 PolarHBondContact O-NE2 3.05Å; H412-Q419 PolarHBondContact O-NE2 3.47Å; D415-Q419 WeakPolarHBondContact O-CG 3.37Å; D415-Q419 PolarHBondContact O-N 3.41Å; K416-Q419 PolarHBondContact O-N 3.16Å; S417-Q419 VanDerWaalsContact C-N 3.34Å; Q419-S423 WeakPolarHBondContact O-CB 3.3Å; Q419-S423 PolarHBondContact O-N 3.25Å; Q419-S423 VanDerWaalsContact O-N 3.11Å; Q419-S423 PolarHBondContact O-OG 3.39Å; Q419-Y457 HydrophobicContact CB-CD2 4.1Å; Q419-Y457 HydrophobicContact CB-CE2 3.84Å; Q419-Y457 HydrophobicContact CG-CD2 4.21Å; Q419-Y457 HydrophobicContact CG-CE2 3.54Å
420V95.9Very high93.8Very high35 Ų3531.5 Ų31.521%0.21215%0.154CC..Hα-helixtrans-63.7-52174.41700000111.8K416 S417 I418 S423 A424 T461 V462 N465K416-V420 HydrophobicContact CG-CG2 4.49Å; K416-V420 VanDerWaalsContact O-CG2 3.29Å; K416-V420 WeakPolarHBondContact O-CG2 3.47Å; K416-V420 PolarHBondContact O-N 3.42Å; S417-V420 PolarHBondContact O-N 3.39Å; I418-V420 PolarHBondContact O-N 3.43Å; V420-S423 PolarHBondContact O-OG 3.44Å; V420-S423 VanDerWaalsContact O-OG 3.06Å; V420-A424 WeakPolarHBondContact O-CB 3.22Å; V420-A424 PolarHBondContact O-N 3.36Å; V420-T461 HydrophobicContact CG1-CG2 3.92Å; V420-V462 HydrophobicContact CB-CG2 4.47Å; V420-V462 HydrophobicContact CG2-CG2 3.51Å; V420-N465 PolarHBondContact O-ND2 2.99Å
421T96.3Very high93.5Very high11 Ų1131.5 Ų31.57%0.06716%0.157CC..Hα-helixtrans-75.9-37.5-175.258.70000112.9H380 N384 S417 I418 A424 A425H380-T421 PolarHBondContact CD2-OG1 2.9Å; H380-T421 VanDerWaalsContact NE2-CG2 3.3Å; H380-T421 WeakPolarHBondContact NE2-CG2 3.45Å; N384-T421 HydrophobicContact CB-CG2 4.22Å; S417-T421 PolarHBondContact O-N 3.29Å; S417-T421 PolarHBondContact O-OG1 3.4Å; I418-T421 PolarHBondContact O-N 3.32Å; T421-A424 PolarHBondContact O-N 3.44Å; T421-A425 PolarHBondContact O-N 2.87Å
422G97.4Very high92.8Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-66-44.8177.400000112.2V405 I418 A424 A425 L426V405-G422 WeakPolarHBondContact CG1-O 3.34Å; I418-G422 WeakPolarHBondContact O-CA 3.24Å; I418-G422 PolarHBondContact O-N 2.97Å; G422-A424 VanDerWaalsContact C-N 3.3Å; G422-A424 PolarHBondContact O-N 3.07Å; G422-A425 PolarHBondContact O-N 2.94Å; G422-L426 WeakPolarHBondContact O-CG 3.39Å; G422-L426 PolarHBondContact O-N 3Å
423S96.6Very high92.3Very high3 Ų340.3 Ų40.32%0.02120%0.201CC..Hα-helixtrans-62.3-37.1174.460.20000112.3Q419 V420 L426 F427 N465Q419-S423 WeakPolarHBondContact O-CB 3.3Å; Q419-S423 PolarHBondContact O-N 3.25Å; Q419-S423 VanDerWaalsContact O-N 3.11Å; Q419-S423 PolarHBondContact O-OG 3.39Å; V420-S423 PolarHBondContact O-OG 3.44Å; V420-S423 VanDerWaalsContact O-OG 3.06Å; S423-L426 PolarHBondContact O-N 3.37Å; S423-F427 PolarHBondContact O-N 3.32Å; S423-N465 WeakPolarHBondContact OG-CB 3.47Å; S423-N465 PolarHBondContact OG-ND2 3.08Å
424A95.7Very high91.8Very high14 Ų1441 Ų4112%0.11620%0.203CC..Hα-helixtrans-64.4-41.3174.200000112F387 V420 T421 G422 Y428 N465F387-A424 HydrophobicContact CD2-CB 3.76Å; F387-A424 HydrophobicContact CE2-CB 3.68Å; V420-A424 WeakPolarHBondContact O-CB 3.22Å; V420-A424 PolarHBondContact O-N 3.36Å; T421-A424 PolarHBondContact O-N 3.44Å; G422-A424 VanDerWaalsContact C-N 3.3Å; G422-A424 PolarHBondContact O-N 3.07Å; A424-Y428 WeakPolarHBondContact O-CD2 3.38Å; A424-N465 WeakPolarHBondContact CB-ND2 3.4Å
425A96.7Very high91.4Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-64.3-41.7176.100000111.7I383 F387 V405 T421 G422 F427 Y428 L429I383-A425 HydrophobicContact CG2-CB 4.36Å; F387-A425 HydrophobicContact CB-CB 4.19Å; V405-A425 HydrophobicContact CG1-CB 4.4Å; V405-A425 HydrophobicContact CG2-CB 4.29Å; T421-A425 PolarHBondContact O-N 2.87Å; G422-A425 PolarHBondContact O-N 2.94Å; A425-F427 VanDerWaalsContact C-N 3.3Å; A425-F427 PolarHBondContact O-N 2.87Å; A425-Y428 PolarHBondContact O-N 2.89Å; A425-L429 HydrophobicContact CB-CD1 4.37Å; A425-L429 WeakPolarHBondContact O-CB 3.49Å; A425-L429 VanDerWaalsContact O-CG 3.29Å; A425-L429 WeakPolarHBondContact O-CG 3.48Å; A425-L429 PolarHBondContact O-N 3.32Å
426L96.4Very high90.9Very high1 Ų140.8 Ų40.81%0.00521%0.209CC..Hα-helixtrans-58.1-40.1178.8-73.7-177.8000112.9L402 V405 I406 L409 G422 S423 Y428 L429 T430 V446 V449 V450 T469L402-L426 HydrophobicContact CD1-CD2 3.4Å; V405-L426 HydrophobicContact CB-CD2 4.2Å; V405-L426 HydrophobicContact CG1-CD2 3.67Å; V405-L426 HydrophobicContact CG1-CG 3.76Å; I406-L426 HydrophobicContact CG1-CD2 4.4Å; L409-L426 HydrophobicContact CD1-CD1 3.35Å; L409-L426 HydrophobicContact CD1-CG 3.96Å; G422-L426 WeakPolarHBondContact O-CG 3.39Å; G422-L426 PolarHBondContact O-N 3Å; S423-L426 PolarHBondContact O-N 3.37Å; L426-Y428 VanDerWaalsContact C-N 3.29Å; L426-Y428 PolarHBondContact O-N 3.05Å; L426-L429 PolarHBondContact O-N 3.18Å; L426-T430 WeakPolarHBondContact O-CB 3.42Å; L426-T430 WeakPolarHBondContact O-CG2 3.47Å; L426-T430 PolarHBondContact O-N 3.26Å; L426-T430 PolarHBondContact O-OG1 3.42Å; L426-V446 HydrophobicContact CD1-CG1 4.27Å; L426-V446 HydrophobicContact CD2-CG2 4.48Å; L426-V449 HydrophobicContact CD1-CG2 3.7Å; L426-V450 HydrophobicContact CD1-CG2 3.9Å; L426-T469 HydrophobicContact CB-CG2 4.17Å
427F93.9Very high90.2Very high55 Ų5540.2 Ų40.224%0.24121%0.211CC..Hα-helixtrans-54.1-45.6177.6170-113.4000112.2S423 A425 T430 L468 T469 N472S423-F427 PolarHBondContact O-N 3.32Å; A425-F427 VanDerWaalsContact C-N 3.3Å; A425-F427 PolarHBondContact O-N 2.87Å; F427-T430 PolarHBondContact O-OG1 3.06Å; F427-L468 HydrophobicContact CD2-CB 3.68Å; F427-L468 HydrophobicContact CE2-CB 3.85Å; F427-L468 HydrophobicContact CG-CB 4.32Å; F427-T469 WeakPolarHBondContact CA-OG1 3.33Å; F427-T469 PolarHBondContact N-OG1 2.7Å; F427-N472 PolarHBondContact O-ND2 3.26Å
428Y93.1Very high89.7Confident75 Ų7538 Ų3829%0.29419%0.194SC..Hα-helixtrans-76-38.7178.9-70.9-75.7000112.6F387 R391 A424 A425 L426 T430 N431F387-Y428 HydrophobicContact CD2-CD2 4.04Å; F387-Y428 HydrophobicContact CD2-CE2 4.22Å; F387-Y428 AromaticContact CE2-CD2 3.78Å; F387-Y428 HydrophobicContact CE2-CD2 3.78Å; F387-Y428 AromaticContact CE2-CE2 3.49Å; F387-Y428 HydrophobicContact CE2-CE2 3.49Å; F387-Y428 VanDerWaalsContact CE2-CE2 3.49Å; F387-Y428 HydrophobicContact CZ-CE2 4.17Å; R391-Y428 HydrophobicContact CB-CD1 4.29Å; R391-Y428 HydrophobicContact CB-CD2 4.17Å; R391-Y428 HydrophobicContact CB-CE1 4.14Å; R391-Y428 HydrophobicContact CB-CE2 4.01Å; R391-Y428 HydrophobicContact CB-CG 4.31Å; R391-Y428 WeakPolarHBondContact CD-OH 3.28Å; R391-Y428 HydrophobicContact CG-CD1 4.49Å; R391-Y428 HydrophobicContact CG-CE1 3.86Å; R391-Y428 HydrophobicContact CG-CE2 3.99Å; A424-Y428 WeakPolarHBondContact O-CD2 3.38Å; A425-Y428 PolarHBondContact O-N 2.89Å; L426-Y428 VanDerWaalsContact C-N 3.29Å; L426-Y428 PolarHBondContact O-N 3.05Å; Y428-T430 PolarHBondContact O-N 3Å; Y428-N431 PolarHBondContact O-N 2.94Å
429L93Very high89.3Confident2 Ų238.5 Ų38.51%0.0120%0.198CC..Hα-helixtrans-71.1-12.7179.9-66.5172.7000113.5L386 A390 A401 L402 V405 A425 L426 Q438L386-L429 HydrophobicContact CD2-CD1 4.42Å; A390-L429 HydrophobicContact CB-CD2 3.99Å; A390-L429 HydrophobicContact CB-CG 4.33Å; A401-L429 HydrophobicContact CB-CD1 4.2Å; A401-L429 HydrophobicContact CB-CD2 3.96Å; L402-L429 HydrophobicContact CD1-CB 4.13Å; V405-L429 HydrophobicContact CG2-CD1 3.96Å; A425-L429 HydrophobicContact CB-CD1 4.37Å; A425-L429 WeakPolarHBondContact O-CB 3.49Å; A425-L429 VanDerWaalsContact O-CG 3.29Å; A425-L429 WeakPolarHBondContact O-CG 3.48Å; A425-L429 PolarHBondContact O-N 3.32Å; L426-L429 PolarHBondContact O-N 3.18Å; L429-Q438 PolarHBondContact O-NE2 3.41Å; L429-Q438 VanDerWaalsContact O-NE2 3.1Å
430T92.3Very high88.8Confident6 Ų641.4 Ų41.44%0.03722%0.216CC..THydrogen-bonded Turntrans-110.914179.759.10000114.1L402 L426 F427 Y428 V446 N472 F473L402-T430 HydrophobicContact CD1-CG2 4.07Å; L426-T430 WeakPolarHBondContact O-CB 3.42Å; L426-T430 WeakPolarHBondContact O-CG2 3.47Å; L426-T430 PolarHBondContact O-N 3.26Å; L426-T430 PolarHBondContact O-OG1 3.42Å; F427-T430 PolarHBondContact O-OG1 3.06Å; Y428-T430 PolarHBondContact O-N 3Å; T430-V446 HydrophobicContact CG2-CG1 3.85Å; T430-V446 HydrophobicContact CG2-CG2 4.06Å; T430-N472 WeakPolarHBondContact O-CB 3.3Å; T430-N472 PolarHBondContact O-ND2 3.35Å; T430-N472 PolarHBondContact OG1-ND2 2.95Å; T430-F473 HydrophobicContact CG2-CZ 4.28Å
431N85.6Confident88.4Confident60 Ų6045.1 Ų45.132%0.32123%0.226SC..  trans-53.5145.8175.8-166.2-3.5000111.4Y428 E433 Y434Y428-N431 PolarHBondContact O-N 2.94Å; N431-E433 PolarHBondContact O-N 2.87Å; N431-E433 VanDerWaalsContact O-N 3.07Å; N431-Y434 HydrophobicContact CB-CD2 3.95Å; N431-Y434 HydrophobicContact CB-CE2 4.14Å; N431-Y434 PolarHBondContact O-N 3.14Å
432T75.3Confident88Confident85 Ų8545.3 Ų45.352%0.52123%0.226SC..G310 helixtrans-58.6-26.1-17253.30000113.3Y434 R435T432-Y434 PolarHBondContact O-N 2.95Å; T432-R435 WeakPolarHBondContact O-CB 3.22Å; T432-R435 PolarHBondContact O-N 3.19Å; T432-R435 VanDerWaalsContact O-N 3.17Å
433E79.4Confident87.8Confident144 Ų14447 Ų4767%0.67323%0.233SC*.G310 helixtrans-57.2-30.9173.5-62.7-176.9173.400112.8N431N431-E433 PolarHBondContact O-N 2.87Å; N431-E433 VanDerWaalsContact O-N 3.07Å
434Y78.5Confident87.5Confident42 Ų4253 Ų5317%0.16526%0.255CS..G310 helixtrans-96.91.7-176.7-53.2-61.3000113.5L398 N431 T432 S436 D437 Q438L398-Y434 HydrophobicContact CD1-CD1 3.41Å; L398-Y434 VanDerWaalsContact CD1-CD1 3.41Å; L398-Y434 HydrophobicContact CD1-CD2 3.33Å; L398-Y434 HydrophobicContact CD1-CE1 3.76Å; L398-Y434 HydrophobicContact CD1-CE2 3.68Å; L398-Y434 HydrophobicContact CD1-CG 3.16Å; L398-Y434 HydrophobicContact CG-CG 4.45Å; N431-Y434 HydrophobicContact CB-CD2 3.95Å; N431-Y434 HydrophobicContact CB-CE2 4.14Å; N431-Y434 PolarHBondContact O-N 3.14Å; T432-Y434 PolarHBondContact O-N 2.95Å; Y434-S436 PolarHBondContact O-N 3.4Å; Y434-S436 VanDerWaalsContact O-N 3.17Å; Y434-D437 PolarHBondContact O-N 2.92Å; Y434-Q438 WeakPolarHBondContact O-CG 3.45Å
435R80.4Confident87.3Confident84 Ų8454 Ų5432%0.31726%0.258SS..THydrogen-bonded Turntrans-56.7-34.8-178-174.7-178.5-178.589.91.9112.2T432 D437 Q438 S474 E478T432-R435 WeakPolarHBondContact O-CB 3.22Å; T432-R435 PolarHBondContact O-N 3.19Å; T432-R435 VanDerWaalsContact O-N 3.17Å; R435-D437 VanDerWaalsContact C-N 3.27Å; R435-D437 PolarHBondContact O-N 3.19Å; R435-Q438 PolarHBondContact O-N 3.43Å; R435-S474 PolarHBondContact NH2-OG 3.27Å; R435-E478 IonicContact CZ-OE2 3.01Å; R435-E478 IonicContact NH1-OE2 3.26Å; R435-E478 PolarHBondContact NH1-OE2 2.99Å; R435-E478 IonicContact NH2-OE2 2.75Å; R435-E478 PolarHBondContact NH2-OE2 3.26Å
436S80.3Confident87.2Confident74 Ų7454 Ų5452%0.51726%0.258SS..THydrogen-bonded Turntrans-69.3-24.6-178.872.20000112.9K4 Y434K4-S436 PolarHBondContact NZ-O 3.01Å; Y434-S436 PolarHBondContact O-N 3.4Å; Y434-S436 VanDerWaalsContact O-N 3.17Å
437D79.3Confident87.2Confident90 Ų9054 Ų5448%0.48126%0.258SS..THydrogen-bonded Turntrans-86.1-17.3179-63.8-42.3000112.7L399 Y434 R435L399-D437 WeakPolarHBondContact CD2-O 3.47Å; Y434-D437 PolarHBondContact O-N 2.92Å; R435-D437 VanDerWaalsContact C-N 3.27Å; R435-D437 PolarHBondContact O-N 3.19Å
438Q84.6Confident87.1Confident11 Ų1154 Ų545%0.05126%0.259CS..SBendtrans-93.7125.9-172.8-63.6175.912.300112.8L398 L402 L429 Y434 R435 R443L398-Q438 HydrophobicContact CD2-CG 4.47Å; L402-Q438 HydrophobicContact CD2-CG 4.23Å; L429-Q438 PolarHBondContact O-NE2 3.41Å; L429-Q438 VanDerWaalsContact O-NE2 3.1Å; Y434-Q438 WeakPolarHBondContact O-CG 3.45Å; R435-Q438 PolarHBondContact O-N 3.43Å; Q438-R443 HydrophobicContact CB-CG 3.96Å
439S87.5Confident87.1Confident11 Ų1150.6 Ų50.68%0.07725%0.246CC..  trans-65.5156.417492.60000111.1G6 D7 R441 L442 R443G6-S439 WeakPolarHBondContact O-CB 3.43Å; G6-S439 PolarHBondContact O-OG 2.96Å; D7-S439 WeakPolarHBondContact OD1-CA 3.18Å; D7-S439 WeakPolarHBondContact OD1-CB 3.19Å; S439-R441 PolarHBondContact O-N 2.86Å; S439-R441 PolarHBondContact OG-N 3.5Å; S439-L442 PolarHBondContact O-N 3.22Å; S439-L442 WeakPolarHBondContact OG-CB 3.38Å; S439-L442 PolarHBondContact OG-N 3.48Å; S439-R443 WeakPolarHBondContact O-CG 3.37Å; S439-R443 PolarHBondContact O-N 3.45Å; S439-R443 VanDerWaalsContact O-N 3.16Å; S439-R443 PolarHBondContact O-NE 3.15Å
440V87.4Confident87.3Confident66 Ų6650.6 Ų50.640%0.425%0.246SC..Hα-helixtrans-60.2-38.7176.5176.60000109.8D7 R443 R444D7-V440 PolarHBondContact OD1-N 3Å; V440-R443 VanDerWaalsContact CG2-NH2 3.26Å; V440-R443 PolarHBondContact O-N 3.24Å; V440-R444 WeakPolarHBondContact O-CG 3.4Å; V440-R444 PolarHBondContact O-N 2.91Å
441R85.6Confident87.4Confident113 Ų11350.3 Ų50.343%0.42624%0.244SC..Hα-helixtrans-62.1-48.7178.7-177.1-176.1179.1144.513.1111.8D10 S439 R443 R444 D445D10-R441 IonicContact OD1-CZ 2.72Å; D10-R441 IonicContact OD1-NH1 2.7Å; D10-R441 PolarHBondContact OD1-NH1 3.04Å; D10-R441 IonicContact OD1-NH2 3.14Å; D10-R441 PolarHBondContact OD1-NH2 3.03Å; D10-R441 IonicContact OD2-NH2 3.45Å; S439-R441 PolarHBondContact O-N 2.86Å; S439-R441 PolarHBondContact OG-N 3.5Å; R441-R443 VanDerWaalsContact C-N 3.28Å; R441-R443 PolarHBondContact O-N 2.9Å; R441-R444 WeakPolarHBondContact O-CB 3.39Å; R441-R444 PolarHBondContact O-N 3.29Å; R441-R444 VanDerWaalsContact O-N 3.13Å; R441-D445 PolarHBondContact O-N 2.96Å
442L89.6Confident87.7Confident15 Ų1547.9 Ų47.98%0.07923%0.232CC..Hα-helixtrans-62-39.1-179.3-17360.3000111.5L399 L402 Q403 I406 S439 D445 V446L399-L442 HydrophobicContact CD2-CD2 3.81Å; L402-L442 HydrophobicContact CD2-CD1 4.38Å; L402-L442 HydrophobicContact CD2-CD2 3.68Å; L402-L442 HydrophobicContact CD2-CG 3.81Å; L402-L442 HydrophobicContact CG-CD1 4.35Å; L402-L442 HydrophobicContact CG-CD2 4.33Å; L402-L442 HydrophobicContact CG-CG 4.32Å; Q403-L442 HydrophobicContact CG-CD1 4.13Å; I406-L442 HydrophobicContact CD1-CD1 3.53Å; I406-L442 HydrophobicContact CD1-CG 4.49Å; S439-L442 PolarHBondContact O-N 3.22Å; S439-L442 WeakPolarHBondContact OG-CB 3.38Å; S439-L442 PolarHBondContact OG-N 3.48Å; L442-D445 WeakPolarHBondContact O-CB 3.33Å; L442-D445 PolarHBondContact O-N 3.26Å; L442-V446 WeakPolarHBondContact O-CG2 3.23Å; L442-V446 PolarHBondContact O-N 3.48Å
443R92Very high88.5Confident35 Ų3543.9 Ų43.913%0.13221%0.207CC..Hα-helixtrans-62.9-41.9174.1-72.9-174.9-73.1148.3-5.3112.5Q438 S439 V440 R441 D445 V446 I447 F473 E478Q438-R443 HydrophobicContact CB-CG 3.96Å; S439-R443 WeakPolarHBondContact O-CG 3.37Å; S439-R443 PolarHBondContact O-N 3.45Å; S439-R443 VanDerWaalsContact O-N 3.16Å; S439-R443 PolarHBondContact O-NE 3.15Å; V440-R443 VanDerWaalsContact CG2-NH2 3.26Å; V440-R443 PolarHBondContact O-N 3.24Å; R441-R443 VanDerWaalsContact C-N 3.28Å; R441-R443 PolarHBondContact O-N 2.9Å; R443-D445 VanDerWaalsContact C-N 3.35Å; R443-V446 WeakPolarHBondContact O-CB 3.36Å; R443-V446 PolarHBondContact O-N 2.98Å; R443-I447 WeakPolarHBondContact O-CG1 3.33Å; R443-I447 PolarHBondContact O-N 3.49Å; R443-F473 HydrophobicContact CB-CD1 4.32Å; R443-F473 HydrophobicContact CB-CE1 3.71Å; R443-F473 HydrophobicContact CG-CD1 4.49Å; R443-F473 HydrophobicContact CG-CE1 3.82Å; R443-E478 WeakPolarHBondContact CD-OE1 3.42Å; R443-E478 IonicContact CZ-OE1 3.82Å; R443-E478 IonicContact NE-OE1 3.75Å; R443-E478 IonicContact NH1-OE1 3.48Å; R443-E478 PolarHBondContact NH1-OE1 3.26Å; R443-E478 IonicContact NH1-OE2 3.03Å
444R91.6Very high89.2Confident130 Ų13037.1 Ų37.149%0.49118%0.175SC..Hα-helixtrans-63.2-39.7173.6-72.8-179.7173.1177.9-2.1112.3V440 R441 V446 I447 Q448 F481V440-R444 WeakPolarHBondContact O-CG 3.4Å; V440-R444 PolarHBondContact O-N 2.91Å; R441-R444 WeakPolarHBondContact O-CB 3.39Å; R441-R444 PolarHBondContact O-N 3.29Å; R441-R444 VanDerWaalsContact O-N 3.13Å; R444-V446 VanDerWaalsContact C-N 3.32Å; R444-V446 PolarHBondContact O-N 2.94Å; R444-I447 PolarHBondContact O-N 3.39Å; R444-Q448 WeakPolarHBondContact O-CG 3.28Å; R444-Q448 PolarHBondContact O-N 3.36Å; R444-F481 HydrophobicContact CB-CE1 4.35Å; R444-F481 HydrophobicContact CB-CE2 4.34Å; R444-F481 HydrophobicContact CB-CZ 3.89Å; R444-F481 HydrophobicContact CG-CD1 4.33Å; R444-F481 HydrophobicContact CG-CE1 3.85Å; R444-F481 HydrophobicContact CG-CE2 4.37Å; R444-F481 HydrophobicContact CG-CZ 3.88Å
445D91Very high89.8Confident35 Ų3537.8 Ų37.819%0.18718%0.18CC..Hα-helixtrans-60.5-41.6174.2-82.7-50.5000111.5I406 K410 R441 L442 R443 Q448 V449I406-D445 HydrophobicContact CD1-CB 4.09Å; I406-D445 HydrophobicContact CG2-CB 4.26Å; K410-D445 IonicContact NZ-OD1 3.74Å; K410-D445 PolarHBondContact NZ-OD1 3.26Å; R441-D445 PolarHBondContact O-N 2.96Å; L442-D445 WeakPolarHBondContact O-CB 3.33Å; L442-D445 PolarHBondContact O-N 3.26Å; R443-D445 VanDerWaalsContact C-N 3.35Å; D445-Q448 PolarHBondContact O-N 3.06Å; D445-V449 WeakPolarHBondContact O-CG2 3.27Å; D445-V449 PolarHBondContact O-N 2.89Å
446V95.1Very high90.3Very high0 Ų037.8 Ų37.80%018%0.184CC..Hα-helixtrans-60.3-51173.8175.80000111.1L402 I406 L426 T430 L442 R443 R444 Q448 V449 V450 T469 F473L402-V446 HydrophobicContact CD1-CG2 3.73Å; L402-V446 HydrophobicContact CD2-CG2 4.17Å; L402-V446 HydrophobicContact CG-CG2 4.17Å; I406-V446 HydrophobicContact CD1-CG2 3.78Å; I406-V446 HydrophobicContact CG1-CG2 4.27Å; L426-V446 HydrophobicContact CD1-CG1 4.27Å; L426-V446 HydrophobicContact CD2-CG2 4.48Å; T430-V446 HydrophobicContact CG2-CG1 3.85Å; T430-V446 HydrophobicContact CG2-CG2 4.06Å; L442-V446 WeakPolarHBondContact O-CG2 3.23Å; L442-V446 PolarHBondContact O-N 3.48Å; R443-V446 WeakPolarHBondContact O-CB 3.36Å; R443-V446 PolarHBondContact O-N 2.98Å; R444-V446 VanDerWaalsContact C-N 3.32Å; R444-V446 PolarHBondContact O-N 2.94Å; V446-Q448 VanDerWaalsContact C-N 3.27Å; V446-Q448 PolarHBondContact O-N 3.11Å; V446-V449 VanDerWaalsContact O-CG2 3.22Å; V446-V449 WeakPolarHBondContact O-CG2 3.27Å; V446-V449 PolarHBondContact O-N 3.36Å; V446-V450 HydrophobicContact CG1-CG2 4.16Å; V446-V450 WeakPolarHBondContact O-CB 3.44Å; V446-V450 VanDerWaalsContact O-CG2 3.24Å; V446-V450 WeakPolarHBondContact O-CG2 3.34Å; V446-V450 PolarHBondContact O-N 2.67Å; V446-T469 HydrophobicContact CG1-CG2 3.94Å; V446-F473 HydrophobicContact CB-CZ 3.98Å; V446-F473 HydrophobicContact CG1-CE2 4.11Å; V446-F473 HydrophobicContact CG1-CZ 3.71Å
447I95Very high90.8Very high1 Ų135.5 Ų35.51%0.00516%0.164CC..Hα-helixtrans-57.6-44.1179.5-67.4166.7000110.1R443 R444 V450 L451 L470 F473 E478 L479 F481R443-I447 WeakPolarHBondContact O-CG1 3.33Å; R443-I447 PolarHBondContact O-N 3.49Å; R444-I447 PolarHBondContact O-N 3.39Å; I447-V450 PolarHBondContact O-N 3.36Å; I447-L451 HydrophobicContact CG2-CD1 3.85Å; I447-L451 HydrophobicContact CG2-CG 4.34Å; I447-L451 VanDerWaalsContact O-CG 3.24Å; I447-L451 WeakPolarHBondContact O-CG 3.48Å; I447-L451 PolarHBondContact O-N 3.06Å; I447-L470 HydrophobicContact CG1-CD2 4.47Å; I447-L470 HydrophobicContact CG2-CD2 4.34Å; I447-F473 HydrophobicContact CD1-CD1 4.02Å; I447-F473 HydrophobicContact CD1-CE1 4.3Å; I447-F473 HydrophobicContact CD1-CG 4.2Å; I447-F473 HydrophobicContact CG1-CD1 4.29Å; I447-F473 HydrophobicContact CG1-CD2 4.29Å; I447-F473 HydrophobicContact CG1-CE1 4.22Å; I447-F473 HydrophobicContact CG1-CE2 4.22Å; I447-F473 HydrophobicContact CG1-CG 4.33Å; I447-F473 HydrophobicContact CG1-CZ 4.19Å; I447-E478 HydrophobicContact CD1-CB 4.33Å; I447-E478 WeakPolarHBondContact CD1-O 3.43Å; I447-L479 HydrophobicContact CD1-CD1 4.29Å; I447-F481 HydrophobicContact CB-CE1 4.3Å; I447-F481 HydrophobicContact CB-CZ 4.15Å; I447-F481 HydrophobicContact CD1-CE1 4.06Å; I447-F481 HydrophobicContact CG2-CE1 3.98Å; I447-F481 HydrophobicContact CG2-CZ 3.94Å
448Q92.9Very high91.1Very high55 Ų5535.4 Ų35.426%0.25716%0.161SC..Hα-helixtrans-61-49.2178.4-76178.5-19.400112.9R444 D445 V446 V450 L451 N452 F481R444-Q448 WeakPolarHBondContact O-CG 3.28Å; R444-Q448 PolarHBondContact O-N 3.36Å; D445-Q448 PolarHBondContact O-N 3.06Å; V446-Q448 VanDerWaalsContact C-N 3.27Å; V446-Q448 PolarHBondContact O-N 3.11Å; Q448-V450 VanDerWaalsContact C-N 3.31Å; Q448-V450 PolarHBondContact O-N 2.95Å; Q448-L451 PolarHBondContact O-N 3.26Å; Q448-N452 PolarHBondContact O-N 3.29Å; Q448-N452 PolarHBondContact O-OD1 3.43Å; Q448-N452 VanDerWaalsContact O-OD1 3.04Å; Q448-F481 HydrophobicContact CG-CE2 4.06Å; Q448-F481 HydrophobicContact CG-CZ 4.27Å
449V93.9Very high91.2Very high3 Ų338.1 Ų38.12%0.01817%0.173CC..Hα-helixtrans-67-34.2-179.1-62.50000112.4I406 L409 K410 L426 D445 V446 N452 G453I406-V449 HydrophobicContact CG1-CG2 4.38Å; I406-V449 HydrophobicContact CG2-CG1 4.02Å; L409-V449 HydrophobicContact CB-CB 4.19Å; L409-V449 HydrophobicContact CB-CG1 4.49Å; L409-V449 HydrophobicContact CD1-CB 4.41Å; L409-V449 HydrophobicContact CD1-CG2 4.04Å; K410-V449 HydrophobicContact CD-CG1 4.2Å; K410-V449 HydrophobicContact CG-CG1 3.51Å; L426-V449 HydrophobicContact CD1-CG2 3.7Å; D445-V449 WeakPolarHBondContact O-CG2 3.27Å; D445-V449 PolarHBondContact O-N 2.89Å; V446-V449 VanDerWaalsContact O-CG2 3.22Å; V446-V449 WeakPolarHBondContact O-CG2 3.27Å; V446-V449 PolarHBondContact O-N 3.36Å; V449-N452 PolarHBondContact O-N 3.46Å; V449-G453 PolarHBondContact O-N 3.19Å
450V95.4Very high91.3Very high2 Ų240.1 Ų40.11%0.01219%0.185CC..Hα-helixtrans-62.7-47.1174.7165.80000110.8L426 V446 I447 Q448 G453 M454 C466 T469 L470L426-V450 HydrophobicContact CD1-CG2 3.9Å; V446-V450 HydrophobicContact CG1-CG2 4.16Å; V446-V450 WeakPolarHBondContact O-CB 3.44Å; V446-V450 VanDerWaalsContact O-CG2 3.24Å; V446-V450 WeakPolarHBondContact O-CG2 3.34Å; V446-V450 PolarHBondContact O-N 2.67Å; I447-V450 PolarHBondContact O-N 3.36Å; Q448-V450 VanDerWaalsContact C-N 3.31Å; Q448-V450 PolarHBondContact O-N 2.95Å; V450-G453 PolarHBondContact O-N 3.1Å; V450-M454 HydrophobicContact CG1-SD 4.26Å; V450-M454 WeakPolarHBondContact O-CG 3.49Å; V450-M454 PolarHBondContact O-N 3.05Å; V450-C466 HydrophobicContact CG1-CB 3.52Å; V450-C466 WeakPolarHBondContact CG1-O 3.21Å; V450-C466 PolarHBondContact O-SG 3.36Å; V450-C466 VanDerWaalsContact O-SG 3.38Å; V450-T469 HydrophobicContact CG2-CG2 3.78Å; V450-L470 HydrophobicContact CG1-CD1 4.47Å; V450-L470 HydrophobicContact CG1-CD2 3.96Å; V450-L470 HydrophobicContact CG1-CG 3.93Å
451L94.6Very high91.5Very high0 Ų040 Ų400%018%0.184CC..Hα-helixtrans-67.9-35.8177.4-62.7174.9000112.3I447 Q448 G453 M454 E455 L470 Q482 R485 V486 L489I447-L451 HydrophobicContact CG2-CD1 3.85Å; I447-L451 HydrophobicContact CG2-CG 4.34Å; I447-L451 VanDerWaalsContact O-CG 3.24Å; I447-L451 WeakPolarHBondContact O-CG 3.48Å; I447-L451 PolarHBondContact O-N 3.06Å; Q448-L451 PolarHBondContact O-N 3.26Å; L451-G453 VanDerWaalsContact C-N 3.31Å; L451-G453 PolarHBondContact O-N 3.33Å; L451-M454 HydrophobicContact CD2-SD 4Å; L451-M454 PolarHBondContact O-N 2.93Å; L451-E455 PolarHBondContact O-N 3.11Å; L451-L470 HydrophobicContact CD2-CD1 4.2Å; L451-Q482 HydrophobicContact CD1-CB 3.7Å; L451-Q482 HydrophobicContact CD1-CG 3.97Å; L451-R485 VanDerWaalsContact C-NH2 3.29Å; L451-R485 PolarHBondContact O-NH2 3.44Å; L451-V486 HydrophobicContact CD1-CG2 3.71Å; L451-V486 HydrophobicContact CD2-CB 4.48Å; L451-V486 HydrophobicContact CD2-CG2 3.79Å; L451-V486 HydrophobicContact CG-CG2 4.38Å; L451-L489 HydrophobicContact CB-CD1 4.15Å; L451-L489 HydrophobicContact CD2-CD1 3.8Å
452N91.4Very high91.9Very high10 Ų1034.6 Ų34.65%0.05316%0.164CC..Hα-helixtrans-59-44.8173-67.6-1000110.7T63 Q448 V449 E455 Q456 R485T63-N452 PolarHBondContact O-ND2 3.39Å; T63-N452 PolarHBondContact O-OD1 3.49Å; Q448-N452 PolarHBondContact O-N 3.29Å; Q448-N452 PolarHBondContact O-OD1 3.43Å; Q448-N452 VanDerWaalsContact O-OD1 3.04Å; V449-N452 PolarHBondContact O-N 3.46Å; N452-E455 PolarHBondContact O-N 3.22Å; N452-Q456 PolarHBondContact O-N 2.62Å; N452-Q456 VanDerWaalsContact O-N 3.17Å; N452-R485 VanDerWaalsContact N-NH2 3.19Å; N452-R485 PolarHBondContact OD1-NH1 3.47Å; N452-R485 PolarHBondContact OD1-NH2 3.26Å
453G92.8Very high92.1Very high1 Ų134.1 Ų34.11%0.0116%0.161CC..Hα-helixtrans-63-41.2175.500000112.8V449 V450 L451 E455 Q456 Y457V449-G453 PolarHBondContact O-N 3.19Å; V450-G453 PolarHBondContact O-N 3.1Å; L451-G453 VanDerWaalsContact C-N 3.31Å; L451-G453 PolarHBondContact O-N 3.33Å; G453-E455 PolarHBondContact O-N 3.42Å; G453-Q456 PolarHBondContact O-N 2.95Å; G453-Y457 PolarHBondContact O-N 3.24Å
454M93.4Very high92.2Very high1 Ų138 Ų381%0.00518%0.176CC..Hα-helixtrans-66.2-34177.5-68.917576.500113.2V450 L451 Q458 Q463 C466 L470 L489 L490 I493V450-M454 HydrophobicContact CG1-SD 4.26Å; V450-M454 WeakPolarHBondContact O-CG 3.49Å; V450-M454 PolarHBondContact O-N 3.05Å; L451-M454 HydrophobicContact CD2-SD 4Å; L451-M454 PolarHBondContact O-N 2.93Å; M454-Q458 PolarHBondContact O-NE2 3.3Å; M454-Q463 PolarHBondContact O-NE2 3.44Å; M454-C466 HydrophobicContact CG-CB 3.34Å; M454-C466 HydrophobicContact SD-CB 3.67Å; M454-L470 HydrophobicContact SD-CD1 4.03Å; M454-L489 HydrophobicContact CB-CD1 4.11Å; M454-L489 HydrophobicContact CB-CD2 4.29Å; M454-L489 HydrophobicContact CE-CB 4.19Å; M454-L490 HydrophobicContact CE-CD2 4.29Å; M454-I493 HydrophobicContact CE-CD1 3.51Å
455E91.1Very high92.3Very high56 Ų5633 Ų3326%0.26216%0.159SC..Hα-helixtrans-67.9-48.6175.2-82169.2178.800111.3S65 L451 N452 G453 Q458 R485 L489S65-E455 WeakPolarHBondContact CB-OE2 3.31Å; S65-E455 PolarHBondContact OG-OE2 3.48Å; L451-E455 PolarHBondContact O-N 3.11Å; N452-E455 PolarHBondContact O-N 3.22Å; G453-E455 PolarHBondContact O-N 3.42Å; E455-Q458 PolarHBondContact O-NE2 2.74Å; E455-Q458 VanDerWaalsContact O-NE2 3.16Å; E455-R485 WeakPolarHBondContact OE1-CG 3.49Å; E455-R485 IonicContact OE1-CZ 3.14Å; E455-R485 IonicContact OE1-NE 3.05Å; E455-R485 PolarHBondContact OE1-NE 3.22Å; E455-R485 IonicContact OE1-NH2 3.08Å; E455-R485 PolarHBondContact OE1-NH2 3.49Å; E455-R485 IonicContact OE2-CZ 3.8Å; E455-R485 IonicContact OE2-NE 2.78Å; E455-R485 IonicContact OE2-NH2 3.38Å; E455-R485 PolarHBondContact OE2-NH2 2.94Å; E455-L489 HydrophobicContact CB-CD2 4.28Å; E455-L489 HydrophobicContact CG-CD1 3.93Å; E455-L489 HydrophobicContact CG-CD2 3.43Å; E455-L489 VanDerWaalsContact CG-CD2 3.43Å; E455-L489 HydrophobicContact CG-CG 4.15Å
456Q91.1Very high92.6Very high84 Ų8431.4 Ų31.439%0.39315%0.15SC..Hα-helixtrans-72.5-39.7-172.8-172.760.630.600112.7Y414 N452 G453Y414-Q456 HydrophobicContact CD1-CG 4.13Å; Y414-Q456 HydrophobicContact CE1-CG 4.47Å; N452-Q456 PolarHBondContact O-N 2.62Å; N452-Q456 VanDerWaalsContact O-N 3.17Å; G453-Q456 PolarHBondContact O-N 2.95Å
457Y90.8Very high92.6Very high27 Ų2731.4 Ų31.411%0.10615%0.15CC..  trans-119.7107.5-171.7-62-82.6000112.4K413 Y414 D415 K416 Q419 G453 E459 V462 Q463K413-Y457 VanDerWaalsContact O-CE2 3.3Å; K413-Y457 WeakPolarHBondContact O-CE2 3.14Å; K413-Y457 PolarHBondContact O-OH 2.92Å; Y414-Y457 WeakPolarHBondContact CA-OH 3.44Å; Y414-Y457 PolarHBondContact O-OH 3.17Å; D415-Y457 PolarHBondContact N-OH 2.99Å; K416-Y457 HydrophobicContact CB-CE1 3.83Å; K416-Y457 HydrophobicContact CG-CD1 4.29Å; K416-Y457 HydrophobicContact CG-CE1 4.07Å; K416-Y457 PolarHBondContact N-OH 3.15Å; Q419-Y457 HydrophobicContact CB-CD2 4.1Å; Q419-Y457 HydrophobicContact CB-CE2 3.84Å; Q419-Y457 HydrophobicContact CG-CD2 4.21Å; Q419-Y457 HydrophobicContact CG-CE2 3.54Å; G453-Y457 PolarHBondContact O-N 3.24Å; Y457-E459 PolarHBondContact O-N 3.47Å; Y457-V462 HydrophobicContact CG-CG2 4.47Å; Y457-Q463 PolarHBondContact O-NE2 3.39Å
458Q87.4Confident92.6Very high87 Ų8733.4 Ų33.441%0.40716%0.161SC..  trans-79.79.1174.5-54.9-58.7-57.400113.5M454 E455 K492M454-Q458 PolarHBondContact O-NE2 3.3Å; E455-Q458 PolarHBondContact O-NE2 2.74Å; E455-Q458 VanDerWaalsContact O-NE2 3.16Å; Q458-K492 VanDerWaalsContact CD-CE 3.5Å; Q458-K492 VanDerWaalsContact NE2-NZ 3.16Å
459E86.1Confident92.7Very high69 Ų6930.8 Ų30.832%0.32215%0.149SC..  trans-71.8136.1178.2-176.6179.7-138.900111.5K416 Y457 T461 V462 Q463K416-E459 WeakPolarHBondContact CE-OE1 3.23Å; K416-E459 WeakPolarHBondContact CE-OE2 3.48Å; K416-E459 IonicContact NZ-OE1 3.06Å; K416-E459 PolarHBondContact NZ-OE1 2.87Å; K416-E459 IonicContact NZ-OE2 3.22Å; K416-E459 PolarHBondContact NZ-OE2 2.9Å; Y457-E459 PolarHBondContact O-N 3.47Å; E459-T461 PolarHBondContact O-N 3.04Å; E459-T461 VanDerWaalsContact O-N 3.13Å; E459-V462 PolarHBondContact O-N 2.93Å; E459-Q463 WeakPolarHBondContact O-CG 3.49Å; E459-Q463 PolarHBondContact O-N 3.24Å; E459-Q463 VanDerWaalsContact O-N 3.11Å
460V89.2Confident92.8Very high52 Ų5230.6 Ų30.632%0.31515%0.148SC..Hα-helixtrans-50.6-41.8-176.6176.10000112.7R464 D500 I503V460-R464 WeakPolarHBondContact O-CB 3.5Å; V460-R464 PolarHBondContact O-N 3.03Å; V460-D500 HydrophobicContact CG1-CB 3.7Å; V460-D500 HydrophobicContact CG2-CB 4.26Å; V460-I503 HydrophobicContact CG1-CG2 4.24Å
461T91.9Very high92.7Very high64 Ų6433 Ų3339%0.39316%0.164SC..Hα-helixtrans-63.7-49.3-177.3-52.30000112.4V420 E459 R464 N465V420-T461 HydrophobicContact CG1-CG2 3.92Å; E459-T461 PolarHBondContact O-N 3.04Å; E459-T461 VanDerWaalsContact O-N 3.13Å; T461-R464 PolarHBondContact O-N 3.49Å; T461-N465 PolarHBondContact O-N 3.29Å; T461-N465 PolarHBondContact O-ND2 3.11Å; T461-N465 PolarHBondContact O-OD1 3.13Å
462V93.4Very high92.6Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-63.8-49.1179.4178.80000109.4V420 Y457 E459 R464 N465 C466V420-V462 HydrophobicContact CB-CG2 4.47Å; V420-V462 HydrophobicContact CG2-CG2 3.51Å; Y457-V462 HydrophobicContact CG-CG2 4.47Å; E459-V462 PolarHBondContact O-N 2.93Å; V462-R464 VanDerWaalsContact C-N 3.33Å; V462-R464 PolarHBondContact O-N 3.36Å; V462-N465 PolarHBondContact O-N 3.46Å; V462-C466 VanDerWaalsContact O-CB 3.28Å; V462-C466 WeakPolarHBondContact O-CB 3.46Å; V462-C466 PolarHBondContact O-N 3.2Å; V462-C466 PolarHBondContact O-SG 2.78Å
463Q93.8Very high92.7Very high4 Ų434.3 Ų34.32%0.01917%0.17CC..Hα-helixtrans-59.7-43.1-179.7-65.3-68.8-20.300112.2M454 Y457 E459 C466 C467 I493 I503M454-Q463 PolarHBondContact O-NE2 3.44Å; Y457-Q463 PolarHBondContact O-NE2 3.39Å; E459-Q463 WeakPolarHBondContact O-CG 3.49Å; E459-Q463 PolarHBondContact O-N 3.24Å; E459-Q463 VanDerWaalsContact O-N 3.11Å; Q463-C466 PolarHBondContact O-N 3.2Å; Q463-C467 WeakPolarHBondContact O-CB 3.47Å; Q463-C467 PolarHBondContact O-N 3.46Å; Q463-C467 PolarHBondContact O-SG 3.42Å; Q463-I493 VanDerWaalsContact OE1-CD1 3.24Å; Q463-I503 HydrophobicContact CB-CD1 3.22Å; Q463-I503 HydrophobicContact CG-CD1 4.22Å
464R93.8Very high92.6Very high116 Ų11636.2 Ų36.244%0.43818%0.183SC..Hα-helixtrans-61.5-50176.4179.2179.7172.1-171.1-2.2111.5V460 T461 V462 C466 C467 L468 I506V460-R464 WeakPolarHBondContact O-CB 3.5Å; V460-R464 PolarHBondContact O-N 3.03Å; T461-R464 PolarHBondContact O-N 3.49Å; V462-R464 VanDerWaalsContact C-N 3.33Å; V462-R464 PolarHBondContact O-N 3.36Å; R464-C466 VanDerWaalsContact C-N 3.3Å; R464-C466 PolarHBondContact O-N 3.4Å; R464-C467 PolarHBondContact O-N 3.45Å; R464-L468 HydrophobicContact CG-CD1 4.03Å; R464-L468 HydrophobicContact CG-CG 4.46Å; R464-L468 WeakPolarHBondContact O-CB 3.22Å; R464-L468 VanDerWaalsContact O-CG 3.27Å; R464-L468 WeakPolarHBondContact O-CG 3.45Å; R464-L468 PolarHBondContact O-N 2.96Å; R464-I506 HydrophobicContact CG-CD1 4.14Å
465N95Very high92.5Very high26 Ų2638 Ų3814%0.13919%0.193CC..Hα-helixtrans-60.2-43.4179.3-67.8-13.3000111.3V420 S423 A424 T461 V462 L468 T469V420-N465 PolarHBondContact O-ND2 2.99Å; S423-N465 WeakPolarHBondContact OG-CB 3.47Å; S423-N465 PolarHBondContact OG-ND2 3.08Å; A424-N465 WeakPolarHBondContact CB-ND2 3.4Å; T461-N465 PolarHBondContact O-N 3.29Å; T461-N465 PolarHBondContact O-ND2 3.11Å; T461-N465 PolarHBondContact O-OD1 3.13Å; V462-N465 PolarHBondContact O-N 3.46Å; N465-L468 PolarHBondContact O-N 3.47Å; N465-T469 WeakPolarHBondContact O-CB 3.43Å; N465-T469 PolarHBondContact O-N 2.77Å; N465-T469 PolarHBondContact O-OG1 2.59Å
466C96.1Very high92.3Very high1 Ų136 Ų361%0.00719%0.185CC..Hα-helixtrans-62.9-50.6177.9-75.10000112.1V450 M454 V462 Q463 R464 L468 T469 L470V450-C466 HydrophobicContact CG1-CB 3.52Å; V450-C466 WeakPolarHBondContact CG1-O 3.21Å; V450-C466 PolarHBondContact O-SG 3.36Å; V450-C466 VanDerWaalsContact O-SG 3.38Å; M454-C466 HydrophobicContact CG-CB 3.34Å; M454-C466 HydrophobicContact SD-CB 3.67Å; V462-C466 VanDerWaalsContact O-CB 3.28Å; V462-C466 WeakPolarHBondContact O-CB 3.46Å; V462-C466 PolarHBondContact O-N 3.2Å; V462-C466 PolarHBondContact O-SG 2.78Å; Q463-C466 PolarHBondContact O-N 3.2Å; R464-C466 VanDerWaalsContact C-N 3.3Å; R464-C466 PolarHBondContact O-N 3.4Å; C466-L468 PolarHBondContact O-N 3.39Å; C466-T469 WeakPolarHBondContact O-CB 3.19Å; C466-T469 PolarHBondContact O-N 2.72Å; C466-T469 VanDerWaalsContact O-N 3.13Å; C466-L470 WeakPolarHBondContact O-CG 3.42Å; C466-L470 PolarHBondContact O-N 3.1Å
467C95.6Very high92.2Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-61-42177.2-71.70000112.3Q463 R464 T469 L470 C471 I506 L510Q463-C467 WeakPolarHBondContact O-CB 3.47Å; Q463-C467 PolarHBondContact O-N 3.46Å; Q463-C467 PolarHBondContact O-SG 3.42Å; R464-C467 PolarHBondContact O-N 3.45Å; C467-T469 VanDerWaalsContact C-N 3.29Å; C467-T469 PolarHBondContact O-N 3.36Å; C467-L470 PolarHBondContact O-N 3.17Å; C467-C471 PolarHBondContact O-N 3.23Å; C467-C471 VanDerWaalsContact O-N 3.12Å; C467-C471 PolarHBondContact O-SG 2.91Å; C467-C471 VanDerWaalsContact O-SG 3.33Å; C467-I506 HydrophobicContact CB-CB 4.4Å; C467-I506 HydrophobicContact CB-CG2 3.57Å; C467-L510 HydrophobicContact CB-CD1 3.77Å
468L94.2Very high92.2Very high43 Ų4338.4 Ų38.423%0.22520%0.197CC..Hα-helixtrans-61.4-39.7174.5-73.8175.3000112F427 R464 N465 C466 C471 I506F427-L468 HydrophobicContact CD2-CB 3.68Å; F427-L468 HydrophobicContact CE2-CB 3.85Å; F427-L468 HydrophobicContact CG-CB 4.32Å; R464-L468 HydrophobicContact CG-CD1 4.03Å; R464-L468 HydrophobicContact CG-CG 4.46Å; R464-L468 WeakPolarHBondContact O-CB 3.22Å; R464-L468 VanDerWaalsContact O-CG 3.27Å; R464-L468 WeakPolarHBondContact O-CG 3.45Å; R464-L468 PolarHBondContact O-N 2.96Å; N465-L468 PolarHBondContact O-N 3.47Å; C466-L468 PolarHBondContact O-N 3.39Å; L468-C471 WeakPolarHBondContact O-CB 3.37Å; L468-C471 PolarHBondContact O-N 2.85Å; L468-I506 HydrophobicContact CD2-CD1 3.65Å; L468-I506 HydrophobicContact CD2-CG1 4.24Å; L468-I506 HydrophobicContact CG-CD1 3.89Å
469T95.8Very high92.5Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-63.5-42.1175.1-570000110.9L426 F427 V446 V450 N465 C466 C467 C471 N472 F473L426-T469 HydrophobicContact CB-CG2 4.17Å; F427-T469 WeakPolarHBondContact CA-OG1 3.33Å; F427-T469 PolarHBondContact N-OG1 2.7Å; V446-T469 HydrophobicContact CG1-CG2 3.94Å; V450-T469 HydrophobicContact CG2-CG2 3.78Å; N465-T469 WeakPolarHBondContact O-CB 3.43Å; N465-T469 PolarHBondContact O-N 2.77Å; N465-T469 PolarHBondContact O-OG1 2.59Å; C466-T469 WeakPolarHBondContact O-CB 3.19Å; C466-T469 PolarHBondContact O-N 2.72Å; C466-T469 VanDerWaalsContact O-N 3.13Å; C467-T469 VanDerWaalsContact C-N 3.29Å; C467-T469 PolarHBondContact O-N 3.36Å; T469-C471 VanDerWaalsContact C-N 3.27Å; T469-C471 PolarHBondContact O-N 2.75Å; T469-N472 WeakPolarHBondContact O-CB 3.49Å; T469-N472 PolarHBondContact O-N 3.42Å; T469-N472 VanDerWaalsContact O-N 3.1Å; T469-F473 HydrophobicContact CG2-CE2 4.16Å; T469-F473 WeakPolarHBondContact O-CD2 3.26Å; T469-F473 VanDerWaalsContact O-CE2 3.24Å; T469-F473 WeakPolarHBondContact O-CE2 3.44Å
470L95.9Very high92.6Very high0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-61.1-34176-67176.9000112.7I447 V450 L451 M454 C466 C467 N472 F473 L479 L510I447-L470 HydrophobicContact CG1-CD2 4.47Å; I447-L470 HydrophobicContact CG2-CD2 4.34Å; V450-L470 HydrophobicContact CG1-CD1 4.47Å; V450-L470 HydrophobicContact CG1-CD2 3.96Å; V450-L470 HydrophobicContact CG1-CG 3.93Å; L451-L470 HydrophobicContact CD2-CD1 4.2Å; M454-L470 HydrophobicContact SD-CD1 4.03Å; C466-L470 WeakPolarHBondContact O-CG 3.42Å; C466-L470 PolarHBondContact O-N 3.1Å; C467-L470 PolarHBondContact O-N 3.17Å; L470-N472 PolarHBondContact O-N 3.39Å; L470-F473 PolarHBondContact O-N 2.91Å; L470-F473 VanDerWaalsContact O-N 3.15Å; L470-L479 HydrophobicContact CD2-CD2 4.41Å; L470-L510 HydrophobicContact CB-CD1 4.36Å; L470-L510 HydrophobicContact CB-CD2 4.3Å
471C93.3Very high92.6Very high51 Ų5137.7 Ų37.735%0.34519%0.189SC..THydrogen-bonded Turntrans-64-16.4175.9-65.50000114C467 L468 T469 F473 L510C467-C471 PolarHBondContact O-N 3.23Å; C467-C471 VanDerWaalsContact O-N 3.12Å; C467-C471 PolarHBondContact O-SG 2.91Å; C467-C471 VanDerWaalsContact O-SG 3.33Å; L468-C471 WeakPolarHBondContact O-CB 3.37Å; L468-C471 PolarHBondContact O-N 2.85Å; T469-C471 VanDerWaalsContact C-N 3.27Å; T469-C471 PolarHBondContact O-N 2.75Å; C471-F473 PolarHBondContact O-N 3.24Å; C471-L510 VanDerWaalsContact SG-CD2 3.59Å
472N93.4Very high92.5Very high25 Ų2535.5 Ų35.513%0.13417%0.174CC..THydrogen-bonded Turntrans-77.9-8.9176.3-68.4-18.4000113.1F427 T430 T469 L470F427-N472 PolarHBondContact O-ND2 3.26Å; T430-N472 WeakPolarHBondContact O-CB 3.3Å; T430-N472 PolarHBondContact O-ND2 3.35Å; T430-N472 PolarHBondContact OG1-ND2 2.95Å; T469-N472 WeakPolarHBondContact O-CB 3.49Å; T469-N472 PolarHBondContact O-N 3.42Å; T469-N472 VanDerWaalsContact O-N 3.1Å; L470-N472 PolarHBondContact O-N 3.39Å
473F93.1Very high92.3Very high13 Ų1336 Ų366%0.05718%0.176CC..SBendtrans-102.1158-178.5-61-88.8000111.7T430 R443 V446 I447 T469 L470 C471 I475 E478 L479T430-F473 HydrophobicContact CG2-CZ 4.28Å; R443-F473 HydrophobicContact CB-CD1 4.32Å; R443-F473 HydrophobicContact CB-CE1 3.71Å; R443-F473 HydrophobicContact CG-CD1 4.49Å; R443-F473 HydrophobicContact CG-CE1 3.82Å; V446-F473 HydrophobicContact CB-CZ 3.98Å; V446-F473 HydrophobicContact CG1-CE2 4.11Å; V446-F473 HydrophobicContact CG1-CZ 3.71Å; I447-F473 HydrophobicContact CD1-CD1 4.02Å; I447-F473 HydrophobicContact CD1-CE1 4.3Å; I447-F473 HydrophobicContact CD1-CG 4.2Å; I447-F473 HydrophobicContact CG1-CD1 4.29Å; I447-F473 HydrophobicContact CG1-CD2 4.29Å; I447-F473 HydrophobicContact CG1-CE1 4.22Å; I447-F473 HydrophobicContact CG1-CE2 4.22Å; I447-F473 HydrophobicContact CG1-CG 4.33Å; I447-F473 HydrophobicContact CG1-CZ 4.19Å; T469-F473 HydrophobicContact CG2-CE2 4.16Å; T469-F473 WeakPolarHBondContact O-CD2 3.26Å; T469-F473 VanDerWaalsContact O-CE2 3.24Å; T469-F473 WeakPolarHBondContact O-CE2 3.44Å; L470-F473 PolarHBondContact O-N 2.91Å; L470-F473 VanDerWaalsContact O-N 3.15Å; C471-F473 PolarHBondContact O-N 3.24Å; F473-I475 PolarHBondContact O-N 2.87Å; F473-E478 HydrophobicContact CB-CB 4.29Å; F473-E478 WeakPolarHBondContact CD1-OE1 3.42Å; F473-L479 HydrophobicContact CB-CD1 3.87Å
474S90.8Very high92.1Very high41 Ų4138.4 Ų38.429%0.28719%0.193SC..  trans-72.9117.2174.4-64.40000109.8R435 E477 E478R435-S474 PolarHBondContact NH2-OG 3.27Å; S474-E477 PolarHBondContact O-N 3.42Å; S474-E478 WeakPolarHBondContact CB-OE2 3.5Å; S474-E478 PolarHBondContact N-OE2 3.24Å; S474-E478 WeakPolarHBondContact O-CB 3.38Å; S474-E478 PolarHBondContact O-N 2.67Å; S474-E478 PolarHBondContact OG-OE2 3.18Å
475I90.1Very high92Very high40 Ų4033.2 Ų33.221%0.20517%0.174CC..THydrogen-bonded Turntrans-106.9131.3-179.2-58.6174.8000108.4F473 L479 L510 A513 L514F473-I475 PolarHBondContact O-N 2.87Å; I475-L479 HydrophobicContact CD1-CD2 4.41Å; I475-L479 HydrophobicContact CG1-CD1 3.95Å; I475-L479 HydrophobicContact CG1-CD2 4.14Å; I475-L510 HydrophobicContact CD1-CD2 3.27Å; I475-A513 HydrophobicContact CB-CB 4.29Å; I475-A513 HydrophobicContact CG2-CB 3.79Å; I475-L514 HydrophobicContact CG2-CB 4.46Å; I475-L514 HydrophobicContact CG2-CD2 3.66Å; I475-L514 HydrophobicContact CG2-CG 3.76Å
476P87.4Confident91.9Very high14 Ų1432 Ų329%0.09117%0.167CC..THydrogen-bonded Turncis-88.1-11.64.334.3-35.3000114.9E478 L479 E480 Y483 L514 Q517 V518P476-E478 PolarHBondContact O-N 2.96Å; P476-L479 CarbonylContact O-C 3.56Å; P476-L479 PolarHBondContact O-N 3.05Å; P476-E480 PolarHBondContact O-N 3.23Å; P476-Y483 HydrophobicContact CB-CE2 4.48Å; P476-L514 HydrophobicContact CB-CD2 4.43Å; P476-Q517 HydrophobicContact CG-CB 4.23Å; P476-V518 HydrophobicContact CB-CG1 3.96Å; P476-V518 HydrophobicContact CG-CG1 3.92Å
477E89.6Confident91.8Very high135 Ų13532 Ų3263%0.63117%0.167SC*.THydrogen-bonded Turntrans-49.4-46.8-165.7-61.6175.3170.700114.9S474S474-E477 PolarHBondContact O-N 3.42Å
478E91.6Very high91.7Very high26 Ų2636.9 Ų36.912%0.12119%0.19CC..THydrogen-bonded Turntrans-82.5-18.3-177.6-68.8-174.879.900113.8R435 R443 I447 F473 S474 P476 F481R435-E478 IonicContact CZ-OE2 3.01Å; R435-E478 IonicContact NH1-OE2 3.26Å; R435-E478 PolarHBondContact NH1-OE2 2.99Å; R435-E478 IonicContact NH2-OE2 2.75Å; R435-E478 PolarHBondContact NH2-OE2 3.26Å; R443-E478 WeakPolarHBondContact CD-OE1 3.42Å; R443-E478 IonicContact CZ-OE1 3.82Å; R443-E478 IonicContact NE-OE1 3.75Å; R443-E478 IonicContact NH1-OE1 3.48Å; R443-E478 PolarHBondContact NH1-OE1 3.26Å; R443-E478 IonicContact NH1-OE2 3.03Å; I447-E478 HydrophobicContact CD1-CB 4.33Å; I447-E478 WeakPolarHBondContact CD1-O 3.43Å; F473-E478 HydrophobicContact CB-CB 4.29Å; F473-E478 WeakPolarHBondContact CD1-OE1 3.42Å; S474-E478 WeakPolarHBondContact CB-OE2 3.5Å; S474-E478 PolarHBondContact N-OE2 3.24Å; S474-E478 WeakPolarHBondContact O-CB 3.38Å; S474-E478 PolarHBondContact O-N 2.67Å; S474-E478 PolarHBondContact OG-OE2 3.18Å; P476-E478 PolarHBondContact O-N 2.96Å; E478-F481 VanDerWaalsContact O-CD1 3.32Å; E478-F481 WeakPolarHBondContact O-CD1 3.5Å; E478-F481 VanDerWaalsContact O-CE1 3.32Å; E478-F481 WeakPolarHBondContact O-CE1 3.37Å
479L91.8Very high91.6Very high0 Ų035.3 Ų35.30%018%0.182CC..THydrogen-bonded Turntrans-95.3-8.7-178.9-76.869.5000111.9I447 L470 F473 I475 P476 F481 Q482 Y483 V486 L514I447-L479 HydrophobicContact CD1-CD1 4.29Å; L470-L479 HydrophobicContact CD2-CD2 4.41Å; F473-L479 HydrophobicContact CB-CD1 3.87Å; I475-L479 HydrophobicContact CD1-CD2 4.41Å; I475-L479 HydrophobicContact CG1-CD1 3.95Å; I475-L479 HydrophobicContact CG1-CD2 4.14Å; P476-L479 CarbonylContact O-C 3.56Å; P476-L479 PolarHBondContact O-N 3.05Å; L479-F481 VanDerWaalsContact C-N 3.27Å; L479-F481 PolarHBondContact O-N 2.82Å; L479-Q482 CarbonylContact O-C 3.58Å; L479-Q482 WeakPolarHBondContact O-CA 3.32Å; L479-Q482 PolarHBondContact O-N 2.81Å; L479-Y483 PolarHBondContact O-N 2.68Å; L479-V486 HydrophobicContact CD2-CG1 4.12Å; L479-V486 HydrophobicContact CD2-CG2 4.24Å; L479-L514 HydrophobicContact CB-CD2 4.39Å; L479-L514 HydrophobicContact CD2-CD2 4.27Å
480E89.4Confident91.5Very high122 Ų12235.3 Ų35.357%0.5718%0.182SC*.G310 helixtrans-51.7-42.4-175.6-171.2-178.9-167.200112.7P476 Q482 Y483P476-E480 PolarHBondContact O-N 3.23Å; E480-Q482 PolarHBondContact O-N 3.37Å; E480-Y483 VanDerWaalsContact O-CB 3.31Å; E480-Y483 WeakPolarHBondContact O-CB 3.3Å; E480-Y483 PolarHBondContact O-N 3.1Å
481F88.3Confident91.4Very high70 Ų7035.5 Ų35.531%0.30718%0.183SC..G310 helixtrans-65-13179.983.4-73.7000114.5R444 I447 Q448 E478 L479R444-F481 HydrophobicContact CB-CE1 4.35Å; R444-F481 HydrophobicContact CB-CE2 4.34Å; R444-F481 HydrophobicContact CB-CZ 3.89Å; R444-F481 HydrophobicContact CG-CD1 4.33Å; R444-F481 HydrophobicContact CG-CE1 3.85Å; R444-F481 HydrophobicContact CG-CE2 4.37Å; R444-F481 HydrophobicContact CG-CZ 3.88Å; I447-F481 HydrophobicContact CB-CE1 4.3Å; I447-F481 HydrophobicContact CB-CZ 4.15Å; I447-F481 HydrophobicContact CD1-CE1 4.06Å; I447-F481 HydrophobicContact CG2-CE1 3.98Å; I447-F481 HydrophobicContact CG2-CZ 3.94Å; Q448-F481 HydrophobicContact CG-CE2 4.06Å; Q448-F481 HydrophobicContact CG-CZ 4.27Å; E478-F481 VanDerWaalsContact O-CD1 3.32Å; E478-F481 WeakPolarHBondContact O-CD1 3.5Å; E478-F481 VanDerWaalsContact O-CE1 3.32Å; E478-F481 WeakPolarHBondContact O-CE1 3.37Å; L479-F481 VanDerWaalsContact C-N 3.27Å; L479-F481 PolarHBondContact O-N 2.82Å
482Q90.1Very high91.3Very high18 Ų1837.5 Ų37.58%0.08419%0.186CC..G310 helixtrans-127.121.3175.8-64.5-67.3-30.100111.4L451 L479 E480 S484 R485 V486L451-Q482 HydrophobicContact CD1-CB 3.7Å; L451-Q482 HydrophobicContact CD1-CG 3.97Å; L479-Q482 CarbonylContact O-C 3.58Å; L479-Q482 WeakPolarHBondContact O-CA 3.32Å; L479-Q482 PolarHBondContact O-N 2.81Å; E480-Q482 PolarHBondContact O-N 3.37Å; Q482-S484 PolarHBondContact O-N 3.11Å; Q482-R485 HydrophobicContact CB-CB 4.46Å; Q482-R485 WeakPolarHBondContact O-CB 3.42Å; Q482-R485 PolarHBondContact O-N 2.78Å; Q482-V486 HydrophobicContact CB-CG2 4.16Å; Q482-V486 WeakPolarHBondContact O-CG2 3.19Å; Q482-V486 PolarHBondContact O-N 3.26Å
483Y90.3Very high91.1Very high11 Ų1136.4 Ų36.44%0.04318%0.18CC..Hα-helixtrans-54.2-48.4-167.7-172.3-96.6000113.7P476 L479 E480 R485 N487 L514 V518 H522 V526P476-Y483 HydrophobicContact CB-CE2 4.48Å; L479-Y483 PolarHBondContact O-N 2.68Å; E480-Y483 VanDerWaalsContact O-CB 3.31Å; E480-Y483 WeakPolarHBondContact O-CB 3.3Å; E480-Y483 PolarHBondContact O-N 3.1Å; Y483-R485 VanDerWaalsContact C-N 3.34Å; Y483-R485 PolarHBondContact O-N 3.4Å; Y483-N487 WeakPolarHBondContact CD1-ND2 3.24Å; Y483-N487 WeakPolarHBondContact CE1-ND2 3.2Å; Y483-N487 VanDerWaalsContact CZ-ND2 3.3Å; Y483-N487 PolarHBondContact O-N 3.19Å; Y483-N487 VanDerWaalsContact O-N 3.14Å; Y483-N487 PolarHBondContact O-ND2 3.46Å; Y483-L514 HydrophobicContact CD2-CD2 4.04Å; Y483-L514 HydrophobicContact CE2-CB 4.18Å; Y483-L514 HydrophobicContact CE2-CD2 3.81Å; Y483-L514 WeakPolarHBondContact CE2-O 3.32Å; Y483-L514 PolarHBondContact OH-O 3.49Å; Y483-V518 HydrophobicContact CE2-CG1 3.63Å; Y483-V518 WeakPolarHBondContact OH-CG2 3.45Å; Y483-H522 HydrophobicContact CD1-CB 4.32Å; Y483-H522 AromaticContact CD1-CD2 3.39Å; Y483-H522 WeakPolarHBondContact CD1-CD2 3.07Å; Y483-H522 HydrophobicContact CE1-CB 3.71Å; Y483-H522 AromaticContact CE1-CD2 3.71Å; Y483-H522 AromaticContact CE1-CG 3.94Å; Y483-V526 HydrophobicContact CD1-CG2 4.44Å; Y483-V526 HydrophobicContact CE1-CG2 3.53Å
484S89.2Confident91Very high54 Ų5436.1 Ų36.138%0.37818%0.179SC..Hα-helixtrans-60.1-44.5177.2-177.50000111.9Q482 N487 Q488 M529Q482-S484 PolarHBondContact O-N 3.11Å; S484-N487 PolarHBondContact O-N 3.07Å; S484-Q488 VanDerWaalsContact O-CG 3.28Å; S484-Q488 WeakPolarHBondContact O-CG 3.35Å; S484-Q488 PolarHBondContact O-N 3.27Å; S484-Q488 PolarHBondContact OG-NE2 3.33Å; S484-M529 VanDerWaalsContact OG-CE 3.24Å; S484-M529 WeakPolarHBondContact OG-CE 3.39Å
485R91.1Very high90.6Very high7 Ų740.4 Ų40.43%0.02620%0.195CC..Hα-helixtrans-66.1-45.5-176.5-172.4-176177-157.8-5.1111.5S65 L451 N452 E455 Q482 Y483 Q488 L489S65-R485 PolarHBondContact OG-NH2 3.18Å; L451-R485 VanDerWaalsContact C-NH2 3.29Å; L451-R485 PolarHBondContact O-NH2 3.44Å; N452-R485 VanDerWaalsContact N-NH2 3.19Å; N452-R485 PolarHBondContact OD1-NH1 3.47Å; N452-R485 PolarHBondContact OD1-NH2 3.26Å; E455-R485 WeakPolarHBondContact OE1-CG 3.49Å; E455-R485 IonicContact OE1-CZ 3.14Å; E455-R485 IonicContact OE1-NE 3.05Å; E455-R485 PolarHBondContact OE1-NE 3.22Å; E455-R485 IonicContact OE1-NH2 3.08Å; E455-R485 PolarHBondContact OE1-NH2 3.49Å; E455-R485 IonicContact OE2-CZ 3.8Å; E455-R485 IonicContact OE2-NE 2.78Å; E455-R485 IonicContact OE2-NH2 3.38Å; E455-R485 PolarHBondContact OE2-NH2 2.94Å; Q482-R485 HydrophobicContact CB-CB 4.46Å; Q482-R485 WeakPolarHBondContact O-CB 3.42Å; Q482-R485 PolarHBondContact O-N 2.78Å; Y483-R485 VanDerWaalsContact C-N 3.34Å; Y483-R485 PolarHBondContact O-N 3.4Å; R485-Q488 PolarHBondContact O-N 2.9Å; R485-L489 HydrophobicContact CG-CD1 4.19Å; R485-L489 WeakPolarHBondContact O-CG 3.29Å; R485-L489 PolarHBondContact O-N 2.63Å; R485-L489 VanDerWaalsContact O-N 3.12Å
486V93.9Very high89.5Confident1 Ų141.5 Ų41.51%0.00620%0.204CC..Hα-helixtrans-59.8-49.1176.5178.20000110.6L451 L479 Q482 Q488 L489 L490 L514L451-V486 HydrophobicContact CD1-CG2 3.71Å; L451-V486 HydrophobicContact CD2-CB 4.48Å; L451-V486 HydrophobicContact CD2-CG2 3.79Å; L451-V486 HydrophobicContact CG-CG2 4.38Å; L479-V486 HydrophobicContact CD2-CG1 4.12Å; L479-V486 HydrophobicContact CD2-CG2 4.24Å; Q482-V486 HydrophobicContact CB-CG2 4.16Å; Q482-V486 WeakPolarHBondContact O-CG2 3.19Å; Q482-V486 PolarHBondContact O-N 3.26Å; V486-Q488 PolarHBondContact O-N 3.12Å; V486-L489 PolarHBondContact O-N 3.21Å; V486-L490 HydrophobicContact CG1-CD1 3.82Å; V486-L490 HydrophobicContact CG1-CG 4.2Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; V486-L490 PolarHBondContact O-N 2.93Å; V486-L514 HydrophobicContact CG1-CD1 3.71Å
487N93.4Very high88.2Confident0 Ų045 Ų450%023%0.234CC..Hα-helixtrans-61.6-43.2-178.9-81.5-71.5000112.2Y483 S484 L489 L490 L491 V526 M529Y483-N487 WeakPolarHBondContact CD1-ND2 3.24Å; Y483-N487 WeakPolarHBondContact CE1-ND2 3.2Å; Y483-N487 VanDerWaalsContact CZ-ND2 3.3Å; Y483-N487 PolarHBondContact O-N 3.19Å; Y483-N487 VanDerWaalsContact O-N 3.14Å; Y483-N487 PolarHBondContact O-ND2 3.46Å; S484-N487 PolarHBondContact O-N 3.07Å; N487-L489 VanDerWaalsContact C-N 3.32Å; N487-L489 PolarHBondContact O-N 3.44Å; N487-L490 PolarHBondContact O-N 3.46Å; N487-L491 WeakPolarHBondContact O-CB 3.42Å; N487-L491 VanDerWaalsContact O-CG 3.27Å; N487-L491 WeakPolarHBondContact O-CG 3.3Å; N487-L491 PolarHBondContact O-N 3.33Å; N487-V526 HydrophobicContact CB-CG2 4.2Å; N487-M529 HydrophobicContact CB-SD 4.38Å
488Q92.9Very high86.4Confident103 Ų10349.6 Ų49.648%0.48125%0.246SC..Hα-helixtrans-59-43.5176.1-73.4172.19.600112.1S484 R485 V486 L491 K492 M529S484-Q488 VanDerWaalsContact O-CG 3.28Å; S484-Q488 WeakPolarHBondContact O-CG 3.35Å; S484-Q488 PolarHBondContact O-N 3.27Å; S484-Q488 PolarHBondContact OG-NE2 3.33Å; R485-Q488 PolarHBondContact O-N 2.9Å; V486-Q488 PolarHBondContact O-N 3.12Å; Q488-L491 PolarHBondContact O-N 3.3Å; Q488-K492 WeakPolarHBondContact O-CB 3.12Å; Q488-K492 PolarHBondContact O-N 3.34Å; Q488-M529 HydrophobicContact CG-SD 3.86Å
489L93.3Very high85.1Confident10 Ų1050.4 Ų50.45%0.05225%0.249CC..Hα-helixtrans-68-42.7179.6-70.4164.8000112.6L451 M454 E455 R485 V486 N487 L491 K492 I493L451-L489 HydrophobicContact CB-CD1 4.15Å; L451-L489 HydrophobicContact CD2-CD1 3.8Å; M454-L489 HydrophobicContact CB-CD1 4.11Å; M454-L489 HydrophobicContact CB-CD2 4.29Å; M454-L489 HydrophobicContact CE-CB 4.19Å; E455-L489 HydrophobicContact CB-CD2 4.28Å; E455-L489 HydrophobicContact CG-CD1 3.93Å; E455-L489 HydrophobicContact CG-CD2 3.43Å; E455-L489 VanDerWaalsContact CG-CD2 3.43Å; E455-L489 HydrophobicContact CG-CG 4.15Å; R485-L489 HydrophobicContact CG-CD1 4.19Å; R485-L489 WeakPolarHBondContact O-CG 3.29Å; R485-L489 PolarHBondContact O-N 2.63Å; R485-L489 VanDerWaalsContact O-N 3.12Å; V486-L489 PolarHBondContact O-N 3.21Å; N487-L489 VanDerWaalsContact C-N 3.32Å; N487-L489 PolarHBondContact O-N 3.44Å; L489-L491 VanDerWaalsContact C-N 3.35Å; L489-K492 WeakPolarHBondContact O-CB 3.45Å; L489-K492 PolarHBondContact O-N 3.37Å; L489-I493 WeakPolarHBondContact O-CG1 3.43Å; L489-I493 PolarHBondContact O-N 3.35Å
490L93.9Very high84.5Confident0 Ų053.8 Ų53.80%027%0.268CS..Hα-helixtrans-64-40.6176.3-66.6176.7000111.7M454 V486 N487 K492 I493 L494 A507 L510 L514M454-L490 HydrophobicContact CE-CD2 4.29Å; V486-L490 HydrophobicContact CG1-CD1 3.82Å; V486-L490 HydrophobicContact CG1-CG 4.2Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; V486-L490 PolarHBondContact O-N 2.93Å; N487-L490 PolarHBondContact O-N 3.46Å; L490-K492 VanDerWaalsContact C-N 3.35Å; L490-K492 PolarHBondContact O-N 2.76Å; L490-I493 HydrophobicContact CD2-CD1 4.16Å; L490-I493 WeakPolarHBondContact O-CB 3.38Å; L490-I493 PolarHBondContact O-N 3.34Å; L490-L494 WeakPolarHBondContact O-CG 3.26Å; L490-L494 PolarHBondContact O-N 3.41Å; L490-A507 HydrophobicContact CD2-CB 4.27Å; L490-L510 HydrophobicContact CD1-CB 3.68Å; L490-L510 HydrophobicContact CD2-CB 4.23Å; L490-L510 HydrophobicContact CD2-CD1 3.83Å; L490-L514 HydrophobicContact CD1-CD1 3.47Å; L490-L514 VanDerWaalsContact CD1-CD1 3.47Å
491L92.4Very high84.1Confident5 Ų553.4 Ų53.43%0.02627%0.266CS..Hα-helixtrans-63.3-41.4174.9-70.6176.8000111.8N487 Q488 L489 I493 L494 E495 M529 F531 T534N487-L491 WeakPolarHBondContact O-CB 3.42Å; N487-L491 VanDerWaalsContact O-CG 3.27Å; N487-L491 WeakPolarHBondContact O-CG 3.3Å; N487-L491 PolarHBondContact O-N 3.33Å; Q488-L491 PolarHBondContact O-N 3.3Å; L489-L491 VanDerWaalsContact C-N 3.35Å; L491-I493 VanDerWaalsContact C-N 3.29Å; L491-I493 PolarHBondContact O-N 3.13Å; L491-L494 WeakPolarHBondContact O-CA 3.44Å; L491-L494 PolarHBondContact O-N 2.93Å; L491-E495 WeakPolarHBondContact O-CG 3.43Å; L491-E495 PolarHBondContact O-N 3.43Å; L491-M529 HydrophobicContact CD1-CB 3.92Å; L491-F531 HydrophobicContact CD1-CB 4.2Å; L491-F531 HydrophobicContact CD1-CD2 4.45Å; L491-F531 HydrophobicContact CD2-CB 4.13Å; L491-F531 HydrophobicContact CD2-CD2 3.75Å; L491-F531 HydrophobicContact CD2-CG 4.18Å; L491-F531 HydrophobicContact CG-CD2 4.39Å; L491-T534 HydrophobicContact CD2-CG2 4.09Å
492K90.8Very high83.9Confident92 Ų9251.2 Ų51.240%0.426%0.259SS..Hα-helixtrans-61.3-35.2175.1-169.4-178.9-178.3-173.40112.7Q458 Q488 L489 L490 L494 P496Q458-K492 VanDerWaalsContact CD-CE 3.5Å; Q458-K492 VanDerWaalsContact NE2-NZ 3.16Å; Q488-K492 WeakPolarHBondContact O-CB 3.12Å; Q488-K492 PolarHBondContact O-N 3.34Å; L489-K492 WeakPolarHBondContact O-CB 3.45Å; L489-K492 PolarHBondContact O-N 3.37Å; L490-K492 VanDerWaalsContact C-N 3.35Å; L490-K492 PolarHBondContact O-N 2.76Å; K492-L494 VanDerWaalsContact C-N 3.27Å; K492-L494 PolarHBondContact O-N 3.21Å; K492-P496 WeakPolarHBondContact O-CD 3.45Å
493I90.8Very high83.9Confident3 Ų350.4 Ų50.42%0.01526%0.255CS..Hα-helixtrans-63.3-35.4171.4-68.1160.2000110.8M454 Q463 L489 L490 L491 P496 Q499 I503 A507M454-I493 HydrophobicContact CE-CD1 3.51Å; Q463-I493 VanDerWaalsContact OE1-CD1 3.24Å; L489-I493 WeakPolarHBondContact O-CG1 3.43Å; L489-I493 PolarHBondContact O-N 3.35Å; L490-I493 HydrophobicContact CD2-CD1 4.16Å; L490-I493 WeakPolarHBondContact O-CB 3.38Å; L490-I493 PolarHBondContact O-N 3.34Å; L491-I493 VanDerWaalsContact C-N 3.29Å; L491-I493 PolarHBondContact O-N 3.13Å; I493-P496 WeakPolarHBondContact O-CD 3.38Å; I493-Q499 VanDerWaalsContact O-CG 3.26Å; I493-Q499 WeakPolarHBondContact O-CG 3.41Å; I493-Q499 PolarHBondContact O-NE2 3.31Å; I493-I503 HydrophobicContact CG2-CD1 3.74Å; I493-I503 HydrophobicContact CG2-CG1 3.76Å; I493-A507 HydrophobicContact CB-CB 4.42Å; I493-A507 HydrophobicContact CG2-CB 3.88Å
494L89.4Confident83.9Confident7 Ų750.4 Ų50.44%0.03726%0.256CS..Hα-helixtrans-86.1-18.2-174.2-64.2174.7000114.5L490 L491 K492 Q504 A507 V508 T534 M535 L538L490-L494 WeakPolarHBondContact O-CG 3.26Å; L490-L494 PolarHBondContact O-N 3.41Å; L491-L494 WeakPolarHBondContact O-CA 3.44Å; L491-L494 PolarHBondContact O-N 2.93Å; K492-L494 VanDerWaalsContact C-N 3.27Å; K492-L494 PolarHBondContact O-N 3.21Å; L494-Q504 HydrophobicContact CD2-CG 4.02Å; L494-A507 HydrophobicContact CD2-CB 3.83Å; L494-A507 HydrophobicContact CG-CB 4.18Å; L494-V508 HydrophobicContact CD1-CG2 4Å; L494-V508 HydrophobicContact CD2-CG2 3.64Å; L494-V508 HydrophobicContact CG-CG2 4.49Å; L494-T534 HydrophobicContact CB-CG2 3.55Å; L494-T534 HydrophobicContact CD1-CG2 4.37Å; L494-M535 HydrophobicContact CD1-CE 3.57Å; L494-L538 HydrophobicContact CB-CD1 4.35Å; L494-L538 HydrophobicContact CD1-CD1 4.15Å; L494-L538 HydrophobicContact CD2-CD1 4Å; L494-L538 HydrophobicContact CG-CD1 4.39Å
495E82.4Confident84Confident131 Ų13153.2 Ų53.261%0.61226%0.258SS*.SBendtrans-68.6-36.5-178.5-78.8179170.200116.5L491L491-E495 WeakPolarHBondContact O-CG 3.43Å; L491-E495 PolarHBondContact O-N 3.43Å
496P68.6Low84.1Confident63 Ų6353.9 Ų53.941%0.40926%0.262SS..SBendtrans-72.1140.6-175.4-22.633.9000115K492 I493 R498 Q499K492-P496 WeakPolarHBondContact O-CD 3.45Å; I493-P496 WeakPolarHBondContact O-CD 3.38Å; P496-R498 PolarHBondContact O-N 3.4Å; P496-R498 VanDerWaalsContact O-N 3.09Å; P496-Q499 VanDerWaalsContact CG-NE2 3.3Å
497A58.4Low84.1Confident86 Ų8653.8 Ų53.871%0.71126%0.261SS*.SBendtrans-65.9-13-178.300000115.3K541A497-K541 PolarHBondContact O-NZ 2.66Å
498R53.5Low84.1Confident233 Ų23353.8 Ų53.888%0.87926%0.261SS*.  trans-126.783.8179.2-68.2-175.6179.5-167.3-0.2109.7P496P496-R498 PolarHBondContact O-N 3.4Å; P496-R498 VanDerWaalsContact O-N 3.09Å
499Q63.8Low84.2Confident43 Ų4353 Ų5320%0.20126%0.257CS..  trans-101.3140.5168.7-70.7-60.4-17.500110.1I493 P496 E501 Q504I493-Q499 VanDerWaalsContact O-CG 3.26Å; I493-Q499 WeakPolarHBondContact O-CG 3.41Å; I493-Q499 PolarHBondContact O-NE2 3.31Å; P496-Q499 VanDerWaalsContact CG-NE2 3.3Å; Q499-E501 PolarHBondContact O-N 2.81Å; Q499-Q504 HydrophobicContact CB-CB 4.28Å
500D78.1Confident84.2Confident71 Ų7152.5 Ų52.538%0.3826%0.255SS..  trans-57.9131.8161.1170.2-67.5000108.1V460 S502 I503 Q504V460-D500 HydrophobicContact CG1-CB 3.7Å; V460-D500 HydrophobicContact CG2-CB 4.26Å; D500-S502 PolarHBondContact O-N 3.48Å; D500-S502 WeakPolarHBondContact OD1-CA 3.4Å; D500-S502 WeakPolarHBondContact OD1-CB 3.46Å; D500-S502 PolarHBondContact OD1-N 2.81Å; D500-S502 PolarHBondContact OD1-OG 3.23Å; D500-I503 HydrophobicContact CB-CG2 3.76Å; D500-I503 WeakPolarHBondContact O-CG2 3.38Å; D500-I503 PolarHBondContact O-N 3.48Å; D500-I503 PolarHBondContact OD1-N 3.21Å; D500-Q504 PolarHBondContact O-N 3.47Å
501E82.3Confident84.3Confident114 Ų11452.5 Ų52.553%0.53326%0.255SS..Hα-helixtrans-63.3-30.4-173.2-169.8-176163.900111.8Q499 R505Q499-E501 PolarHBondContact O-N 2.81Å; E501-R505 WeakPolarHBondContact O-CB 3.48Å; E501-R505 PolarHBondContact O-N 3.27Å; E501-R505 VanDerWaalsContact O-N 3.08Å
502S84.1Confident84.3Confident24 Ų2453.2 Ų53.217%0.16826%0.259CS..Hα-helixtrans-69.3-43.7-178.380.10000111.8D500 I506D500-S502 PolarHBondContact O-N 3.48Å; D500-S502 WeakPolarHBondContact OD1-CA 3.4Å; D500-S502 WeakPolarHBondContact OD1-CB 3.46Å; D500-S502 PolarHBondContact OD1-N 2.81Å; D500-S502 PolarHBondContact OD1-OG 3.23Å; S502-I506 WeakPolarHBondContact O-CD1 3.37Å; S502-I506 VanDerWaalsContact O-CG1 3.31Å; S502-I506 WeakPolarHBondContact O-CG1 3.49Å; S502-I506 PolarHBondContact O-N 3.5Å
503I89.2Confident84.4Confident1 Ų150.2 Ų50.21%0.00525%0.251CS..Hα-helixtrans-69.7-40.3177.8-178173.9000111.4V460 Q463 I493 D500 R505 I506 A507V460-I503 HydrophobicContact CG1-CG2 4.24Å; Q463-I503 HydrophobicContact CB-CD1 3.22Å; Q463-I503 HydrophobicContact CG-CD1 4.22Å; I493-I503 HydrophobicContact CG2-CD1 3.74Å; I493-I503 HydrophobicContact CG2-CG1 3.76Å; D500-I503 HydrophobicContact CB-CG2 3.76Å; D500-I503 WeakPolarHBondContact O-CG2 3.38Å; D500-I503 PolarHBondContact O-N 3.48Å; D500-I503 PolarHBondContact OD1-N 3.21Å; I503-R505 VanDerWaalsContact C-N 3.3Å; I503-R505 PolarHBondContact O-N 2.97Å; I503-I506 PolarHBondContact O-N 3.23Å; I503-A507 WeakPolarHBondContact O-CB 3.45Å; I503-A507 PolarHBondContact O-N 2.93Å
504Q89.6Confident84.5Confident11 Ų1150.1 Ų50.15%0.05125%0.25CS..Hα-helixtrans-58.1-44.9177.1-176.8177.462.800111L494 Q499 D500 I506 A507 V508 L538 V551L494-Q504 HydrophobicContact CD2-CG 4.02Å; Q499-Q504 HydrophobicContact CB-CB 4.28Å; D500-Q504 PolarHBondContact O-N 3.47Å; Q504-I506 PolarHBondContact O-N 3.38Å; Q504-A507 PolarHBondContact O-N 3.22Å; Q504-V508 WeakPolarHBondContact O-CG2 3.44Å; Q504-V508 PolarHBondContact O-N 3.35Å; Q504-L538 HydrophobicContact CG-CD2 4.47Å; Q504-V551 HydrophobicContact CG-CG1 3.94Å; Q504-V551 HydrophobicContact CG-CG2 4.49Å
505R91.6Very high84.5Confident112 Ų11249.8 Ų49.842%0.42325%0.249SC..Hα-helixtrans-59.6-44.8177.1-174.7174.865.8-151.23112.8E501 I503 H509 V551E501-R505 WeakPolarHBondContact O-CB 3.48Å; E501-R505 PolarHBondContact O-N 3.27Å; E501-R505 VanDerWaalsContact O-N 3.08Å; I503-R505 VanDerWaalsContact C-N 3.3Å; I503-R505 PolarHBondContact O-N 2.97Å; R505-H509 WeakPolarHBondContact O-CB 3.47Å; R505-H509 PolarHBondContact O-N 2.96Å; R505-H509 VanDerWaalsContact O-N 3.1Å; R505-V551 HydrophobicContact CB-CG2 4.04Å; R505-V551 HydrophobicContact CG-CG2 4.46Å
506I93.4Very high84.6Confident21 Ų2145.5 Ų45.511%0.10823%0.233CC..Hα-helixtrans-66.7-44.2178.9-58.2158.4000110.4R464 C467 L468 S502 I503 Q504 H509 L510R464-I506 HydrophobicContact CG-CD1 4.14Å; C467-I506 HydrophobicContact CB-CB 4.4Å; C467-I506 HydrophobicContact CB-CG2 3.57Å; L468-I506 HydrophobicContact CD2-CD1 3.65Å; L468-I506 HydrophobicContact CD2-CG1 4.24Å; L468-I506 HydrophobicContact CG-CD1 3.89Å; S502-I506 WeakPolarHBondContact O-CD1 3.37Å; S502-I506 VanDerWaalsContact O-CG1 3.31Å; S502-I506 WeakPolarHBondContact O-CG1 3.49Å; S502-I506 PolarHBondContact O-N 3.5Å; I503-I506 PolarHBondContact O-N 3.23Å; Q504-I506 PolarHBondContact O-N 3.38Å; I506-H509 WeakPolarHBondContact O-CB 3.49Å; I506-H509 PolarHBondContact O-N 3.18Å; I506-L510 HydrophobicContact CG2-CD1 4.13Å; I506-L510 HydrophobicContact CG2-CG 4.47Å; I506-L510 WeakPolarHBondContact O-CG 3.48Å; I506-L510 PolarHBondContact O-N 3.43Å
507A94.2Very high84.8Confident0 Ų048.9 Ų48.90%024%0.243CC..Hα-helixtrans-64.2-42.4-178.200000112.6L490 I493 L494 I503 Q504 L510 C511L490-A507 HydrophobicContact CD2-CB 4.27Å; I493-A507 HydrophobicContact CB-CB 4.42Å; I493-A507 HydrophobicContact CG2-CB 3.88Å; L494-A507 HydrophobicContact CD2-CB 3.83Å; L494-A507 HydrophobicContact CG-CB 4.18Å; I503-A507 WeakPolarHBondContact O-CB 3.45Å; I503-A507 PolarHBondContact O-N 2.93Å; Q504-A507 PolarHBondContact O-N 3.22Å; A507-L510 PolarHBondContact O-N 3.3Å; A507-C511 WeakPolarHBondContact O-CB 3.47Å; A507-C511 PolarHBondContact O-N 2.95Å; A507-C511 PolarHBondContact O-SG 3.44Å
508V94.2Very high86Confident0 Ų045.6 Ų45.60%021%0.214CC..Hα-helixtrans-67.1-38.5175.11790000111.3L494 Q504 C511 N512 M535 L538 V551 F554L494-V508 HydrophobicContact CD1-CG2 4Å; L494-V508 HydrophobicContact CD2-CG2 3.64Å; L494-V508 HydrophobicContact CG-CG2 4.49Å; Q504-V508 WeakPolarHBondContact O-CG2 3.44Å; Q504-V508 PolarHBondContact O-N 3.35Å; V508-C511 WeakPolarHBondContact O-CB 3.37Å; V508-C511 PolarHBondContact O-N 3.42Å; V508-N512 PolarHBondContact O-N 3.43Å; V508-M535 HydrophobicContact CG1-SD 4.36Å; V508-L538 HydrophobicContact CG2-CD1 3.68Å; V508-V551 HydrophobicContact CG2-CG1 4.06Å; V508-F554 HydrophobicContact CG1-CB 3.56Å
509H94Very high87.4Confident85 Ų8538.5 Ų38.539%0.39419%0.194SC..Hα-helixtrans-59.4-47.9174.6178.174.5000111.9R505 I506 C511 N512 A513 F554R505-H509 WeakPolarHBondContact O-CB 3.47Å; R505-H509 PolarHBondContact O-N 2.96Å; R505-H509 VanDerWaalsContact O-N 3.1Å; I506-H509 WeakPolarHBondContact O-CB 3.49Å; I506-H509 PolarHBondContact O-N 3.18Å; H509-C511 PolarHBondContact O-N 2.93Å; H509-N512 PolarHBondContact O-N 3.3Å; H509-A513 PolarHBondContact O-N 2.97Å; H509-F554 HydrophobicContact CB-CD2 4.13Å; H509-F554 HydrophobicContact CB-CE2 4.11Å; H509-F554 AromaticContact ND1-CE2 3.69Å; H509-F554 AromaticContact ND1-CZ 3.81Å
510L94.6Very high88.4Confident1 Ų139 Ų391%0.00520%0.198CC..Hα-helixtrans-60.4-44.4175-73.7171.4000111.9C467 L470 C471 I475 L490 I506 A507 N512 A513 L514C467-L510 HydrophobicContact CB-CD1 3.77Å; L470-L510 HydrophobicContact CB-CD1 4.36Å; L470-L510 HydrophobicContact CB-CD2 4.3Å; C471-L510 VanDerWaalsContact SG-CD2 3.59Å; I475-L510 HydrophobicContact CD1-CD2 3.27Å; L490-L510 HydrophobicContact CD1-CB 3.68Å; L490-L510 HydrophobicContact CD2-CB 4.23Å; L490-L510 HydrophobicContact CD2-CD1 3.83Å; I506-L510 HydrophobicContact CG2-CD1 4.13Å; I506-L510 HydrophobicContact CG2-CG 4.47Å; I506-L510 WeakPolarHBondContact O-CG 3.48Å; I506-L510 PolarHBondContact O-N 3.43Å; A507-L510 PolarHBondContact O-N 3.3Å; L510-N512 PolarHBondContact O-N 3.29Å; L510-A513 PolarHBondContact O-N 3.49Å; L510-L514 WeakPolarHBondContact O-CB 3.47Å; L510-L514 VanDerWaalsContact O-CG 3.3Å; L510-L514 WeakPolarHBondContact O-CG 3.39Å; L510-L514 PolarHBondContact O-N 3.34Å
511C94.4Very high88.8Confident0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-57.4-48175.8-73.80000111.7A507 V508 H509 A513 L514 V515 F531 M535A507-C511 WeakPolarHBondContact O-CB 3.47Å; A507-C511 PolarHBondContact O-N 2.95Å; A507-C511 PolarHBondContact O-SG 3.44Å; V508-C511 WeakPolarHBondContact O-CB 3.37Å; V508-C511 PolarHBondContact O-N 3.42Å; H509-C511 PolarHBondContact O-N 2.93Å; C511-A513 PolarHBondContact O-N 2.88Å; C511-L514 PolarHBondContact O-N 3Å; C511-V515 WeakPolarHBondContact O-CG2 3.27Å; C511-V515 PolarHBondContact O-N 3.02Å; C511-F531 HydrophobicContact CB-CE2 3.69Å; C511-F531 HydrophobicContact CB-CZ 3.92Å; C511-M535 HydrophobicContact CB-CE 3.72Å
512N93.9Very high89.1Confident20 Ų2039 Ų3911%0.10720%0.195CC..Hα-helixtrans-61.4-43.5179.5-170.430.8000111.8V508 H509 L510 L514 V515 C516 S557 A558 N561V508-N512 PolarHBondContact O-N 3.43Å; H509-N512 PolarHBondContact O-N 3.3Å; L510-N512 PolarHBondContact O-N 3.29Å; N512-L514 PolarHBondContact O-N 3.34Å; N512-V515 WeakPolarHBondContact O-CG2 3.4Å; N512-V515 PolarHBondContact O-N 3.37Å; N512-C516 WeakPolarHBondContact O-CB 3.34Å; N512-C516 PolarHBondContact O-N 3.1Å; N512-S557 PolarHBondContact ND2-OG 3.02Å; N512-S557 PolarHBondContact OD1-OG 3.14Å; N512-A558 HydrophobicContact CB-CB 4.02Å; N512-A558 VanDerWaalsContact OD1-CA 3.26Å; N512-A558 WeakPolarHBondContact OD1-CA 3.4Å; N512-A558 PolarHBondContact OD1-N 3.34Å; N512-A558 VanDerWaalsContact OD1-N 3.16Å; N512-N561 PolarHBondContact OD1-ND2 2.84Å
513A92.3Very high89.3Confident28 Ų2838 Ų3823%0.23119%0.188CC..Hα-helixtrans-62.3-41.3176.400000112.2I475 H509 L510 C511 V515 C516I475-A513 HydrophobicContact CB-CB 4.29Å; I475-A513 HydrophobicContact CG2-CB 3.79Å; H509-A513 PolarHBondContact O-N 2.97Å; L510-A513 PolarHBondContact O-N 3.49Å; C511-A513 PolarHBondContact O-N 2.88Å; A513-V515 PolarHBondContact O-N 3.49Å; A513-C516 PolarHBondContact O-N 3.46Å
514L91.4Very high89.4Confident1 Ų140.7 Ų40.71%0.00520%0.2CC..Hα-helixtrans-66.6-30.8-179.7-77.6165000114I475 P476 L479 Y483 V486 L490 L510 C511 N512 V518I475-L514 HydrophobicContact CG2-CB 4.46Å; I475-L514 HydrophobicContact CG2-CD2 3.66Å; I475-L514 HydrophobicContact CG2-CG 3.76Å; P476-L514 HydrophobicContact CB-CD2 4.43Å; L479-L514 HydrophobicContact CB-CD2 4.39Å; L479-L514 HydrophobicContact CD2-CD2 4.27Å; Y483-L514 HydrophobicContact CD2-CD2 4.04Å; Y483-L514 HydrophobicContact CE2-CB 4.18Å; Y483-L514 HydrophobicContact CE2-CD2 3.81Å; Y483-L514 WeakPolarHBondContact CE2-O 3.32Å; Y483-L514 PolarHBondContact OH-O 3.49Å; V486-L514 HydrophobicContact CG1-CD1 3.71Å; L490-L514 HydrophobicContact CD1-CD1 3.47Å; L490-L514 VanDerWaalsContact CD1-CD1 3.47Å; L510-L514 WeakPolarHBondContact O-CB 3.47Å; L510-L514 VanDerWaalsContact O-CG 3.3Å; L510-L514 WeakPolarHBondContact O-CG 3.39Å; L510-L514 PolarHBondContact O-N 3.34Å; C511-L514 PolarHBondContact O-N 3Å; N512-L514 PolarHBondContact O-N 3.34Å; L514-V518 WeakPolarHBondContact O-CG1 3.3Å
515V89.8Confident89.4Confident0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-93-10.9-179.4-60.60000113.3C511 N512 A513 V526 F531 A558 N561 I562C511-V515 WeakPolarHBondContact O-CG2 3.27Å; C511-V515 PolarHBondContact O-N 3.02Å; N512-V515 WeakPolarHBondContact O-CG2 3.4Å; N512-V515 PolarHBondContact O-N 3.37Å; A513-V515 PolarHBondContact O-N 3.49Å; V515-V526 HydrophobicContact CG1-CG1 4.39Å; V515-F531 HydrophobicContact CG1-CE1 4.4Å; V515-F531 HydrophobicContact CG1-CE2 3.93Å; V515-F531 HydrophobicContact CG1-CZ 3.76Å; V515-F531 HydrophobicContact CG2-CZ 4.22Å; V515-A558 HydrophobicContact CG2-CB 4.34Å; V515-N561 HydrophobicContact CB-CB 4.44Å; V515-N561 HydrophobicContact CG2-CB 3.7Å; V515-I562 HydrophobicContact CB-CB 4.45Å; V515-I562 HydrophobicContact CG1-CD1 4.25Å; V515-I562 HydrophobicContact CG1-CG1 4.33Å
516C85.3Confident89.4Confident41 Ų4136.4 Ų36.428%0.27719%0.191SC..Hα-helixtrans-68.9-42.2-174.4-176.90000113.4N512 A513 R689N512-C516 WeakPolarHBondContact O-CB 3.34Å; N512-C516 PolarHBondContact O-N 3.1Å; A513-C516 PolarHBondContact O-N 3.46Å; C516-R689 VanDerWaalsContact O-CZ 3.24Å; C516-R689 PolarHBondContact O-NH1 2.85Å; C516-R689 PolarHBondContact O-NH2 3.34Å
517Q73.7Confident89.4Confident134 Ų13435.4 Ų35.463%0.62619%0.186SC*.SBendtrans-122.126.3-169.6-63.6-170.6-700114.6P476P476-Q517 HydrophobicContact CG-CB 4.23Å
518V81.7Confident89.3Confident18 Ų1842.3 Ų42.311%0.10922%0.216CC..  trans-104.2158.3-178.5-67.20000112.7P476 Y483 L514 H522 K523P476-V518 HydrophobicContact CB-CG1 3.96Å; P476-V518 HydrophobicContact CG-CG1 3.92Å; Y483-V518 HydrophobicContact CE2-CG1 3.63Å; Y483-V518 WeakPolarHBondContact OH-CG2 3.45Å; L514-V518 WeakPolarHBondContact O-CG1 3.3Å; V518-H522 HydrophobicContact CB-CB 4Å; V518-H522 HydrophobicContact CG2-CB 4.19Å; V518-K523 HydrophobicContact CG2-CG 3.87Å
519D83.6Confident89.2Confident83 Ų8345 Ų4544%0.44423%0.229SC..  trans-65.7165.717566.838.7000112.9H521 H522 K523D519-H521 VanDerWaalsContact C-N 3.25Å; D519-H521 PolarHBondContact O-N 2.83Å; D519-H521 WeakPolarHBondContact OD1-CB 3.4Å; D519-H521 PolarHBondContact OD1-N 3.39Å; D519-H521 VanDerWaalsContact OD1-N 3.12Å; D519-H522 VanDerWaalsContact CG-ND1 3.28Å; D519-H522 PolarHBondContact O-N 3.41Å; D519-H522 WeakPolarHBondContact OD1-CB 3.14Å; D519-H522 IonicContact OD1-CG 2.66Å; D519-H522 PolarHBondContact OD1-N 2.99Å; D519-H522 IonicContact OD1-ND1 3.92Å; D519-H522 PolarHBondContact OD1-ND1 3.2Å; D519-H522 IonicContact OD2-CE1 3.18Å; D519-H522 IonicContact OD2-ND1 3.82Å; D519-H522 PolarHBondContact OD2-ND1 3.36Å; D519-H522 VanDerWaalsContact OD2-ND1 3.11Å; D519-K523 PolarHBondContact O-N 3.36Å; D519-K523 VanDerWaalsContact O-N 3.16Å
520N84.6Confident89.2Confident55 Ų5541.9 Ų41.929%0.29422%0.22SC..Hα-helixtrans-66.7-27.3-176.3-64.3-12000112.2K523 E524 E565 T566N520-K523 PolarHBondContact O-N 3.23Å; N520-E524 WeakPolarHBondContact O-CG 3.48Å; N520-E524 PolarHBondContact O-N 3.38Å; N520-E565 PolarHBondContact ND2-OE2 3.26Å; N520-T566 HydrophobicContact CB-CG2 4.34Å
521H86.7Confident89.3Confident138 Ų13841.9 Ų41.964%0.63922%0.22SC*.Hα-helixtrans-67-44.6177.7-175.164.8000111.7D519 E524 A525D519-H521 VanDerWaalsContact C-N 3.25Å; D519-H521 PolarHBondContact O-N 2.83Å; D519-H521 WeakPolarHBondContact OD1-CB 3.4Å; D519-H521 PolarHBondContact OD1-N 3.39Å; D519-H521 VanDerWaalsContact OD1-N 3.12Å; H521-E524 PolarHBondContact O-N 3.45Å; H521-A525 WeakPolarHBondContact O-CB 3.4Å; H521-A525 PolarHBondContact O-N 3.48Å
522H87.8Confident89.3Confident46 Ų4641.9 Ų41.921%0.21322%0.22CC..Hα-helixtrans-62.1-45.2173.7-75.7116.5000111.6Y483 V518 D519 E524 A525 V526Y483-H522 HydrophobicContact CD1-CB 4.32Å; Y483-H522 AromaticContact CD1-CD2 3.39Å; Y483-H522 WeakPolarHBondContact CD1-CD2 3.07Å; Y483-H522 HydrophobicContact CE1-CB 3.71Å; Y483-H522 AromaticContact CE1-CD2 3.71Å; Y483-H522 AromaticContact CE1-CG 3.94Å; V518-H522 HydrophobicContact CB-CB 4Å; V518-H522 HydrophobicContact CG2-CB 4.19Å; D519-H522 VanDerWaalsContact CG-ND1 3.28Å; D519-H522 PolarHBondContact O-N 3.41Å; D519-H522 WeakPolarHBondContact OD1-CB 3.14Å; D519-H522 IonicContact OD1-CG 2.66Å; D519-H522 PolarHBondContact OD1-N 2.99Å; D519-H522 IonicContact OD1-ND1 3.92Å; D519-H522 PolarHBondContact OD1-ND1 3.2Å; D519-H522 IonicContact OD2-CE1 3.18Å; D519-H522 IonicContact OD2-ND1 3.82Å; D519-H522 PolarHBondContact OD2-ND1 3.36Å; D519-H522 VanDerWaalsContact OD2-ND1 3.11Å; H522-E524 PolarHBondContact O-N 3.09Å; H522-A525 PolarHBondContact O-N 3.47Å; H522-V526 WeakPolarHBondContact O-CB 3.47Å; H522-V526 VanDerWaalsContact O-CG2 3.28Å; H522-V526 WeakPolarHBondContact O-CG2 3.21Å; H522-V526 PolarHBondContact O-N 3.48Å
523K89.6Confident89.4Confident3 Ų346.6 Ų46.61%0.01324%0.239CC..Hα-helixtrans-58.5-44.1176.6-68.6177.7179.2172.60112.3V518 D519 N520 G527 N561 I562 D564 T566 N569V518-K523 HydrophobicContact CG2-CG 3.87Å; D519-K523 PolarHBondContact O-N 3.36Å; D519-K523 VanDerWaalsContact O-N 3.16Å; N520-K523 PolarHBondContact O-N 3.23Å; K523-G527 PolarHBondContact O-N 3.27Å; K523-N561 WeakPolarHBondContact CE-O 3.26Å; K523-I562 HydrophobicContact CB-CG1 4.28Å; K523-D564 PolarHBondContact NZ-O 3.08Å; K523-D564 IonicContact NZ-OD2 3.75Å; K523-D564 PolarHBondContact NZ-OD2 2.71Å; K523-T566 HydrophobicContact CB-CG2 3.77Å; K523-T566 HydrophobicContact CD-CG2 3.95Å; K523-N569 PolarHBondContact O-ND2 3.27Å
524E90.1Very high89.5Confident57 Ų5745.7 Ų45.727%0.26623%0.231SC..Hα-helixtrans-65.5-42.3176.7-75.6178.9-16900112.3N520 H521 H522 G527 K528 T566N520-E524 WeakPolarHBondContact O-CG 3.48Å; N520-E524 PolarHBondContact O-N 3.38Å; H521-E524 PolarHBondContact O-N 3.45Å; H522-E524 PolarHBondContact O-N 3.09Å; E524-G527 PolarHBondContact O-N 3.47Å; E524-K528 WeakPolarHBondContact O-CG 3.31Å; E524-K528 PolarHBondContact O-N 3.22Å; E524-T566 HydrophobicContact CG-CG2 4.26Å
525A90.3Very high89.8Confident33 Ų3345.7 Ų45.727%0.27323%0.231SC..Hα-helixtrans-62.1-47.3178.300000111.3H521 H522 G527 K528 M529H521-A525 WeakPolarHBondContact O-CB 3.4Å; H521-A525 PolarHBondContact O-N 3.48Å; H522-A525 PolarHBondContact O-N 3.47Å; A525-G527 VanDerWaalsContact C-N 3.33Å; A525-G527 PolarHBondContact O-N 2.99Å; A525-K528 PolarHBondContact O-N 3.28Å; A525-M529 WeakPolarHBondContact O-CG 3.17Å; A525-M529 PolarHBondContact O-N 2.96Å; A525-M529 VanDerWaalsContact O-N 3.12Å
526V91.8Very high90.1Very high1 Ų145.8 Ų45.81%0.00623%0.231CC..Hα-helixtrans-64.3-38.1177175.20000111.3Y483 N487 V515 H522 K528 M529 F531 I562Y483-V526 HydrophobicContact CD1-CG2 4.44Å; Y483-V526 HydrophobicContact CE1-CG2 3.53Å; N487-V526 HydrophobicContact CB-CG2 4.2Å; V515-V526 HydrophobicContact CG1-CG1 4.39Å; H522-V526 WeakPolarHBondContact O-CB 3.47Å; H522-V526 VanDerWaalsContact O-CG2 3.28Å; H522-V526 WeakPolarHBondContact O-CG2 3.21Å; H522-V526 PolarHBondContact O-N 3.48Å; V526-K528 PolarHBondContact O-N 3.09Å; V526-M529 WeakPolarHBondContact O-CB 3.44Å; V526-M529 PolarHBondContact O-N 3.4Å; V526-M529 VanDerWaalsContact O-N 3.16Å; V526-F531 HydrophobicContact CG1-CB 3.69Å; V526-F531 HydrophobicContact CG1-CD2 3.35Å; V526-F531 HydrophobicContact CG1-CE2 4.07Å; V526-F531 HydrophobicContact CG1-CG 3.7Å; V526-F531 VanDerWaalsContact O-CB 3.27Å; V526-F531 WeakPolarHBondContact O-CB 3.36Å; V526-F531 PolarHBondContact O-N 3.1Å; V526-I562 HydrophobicContact CB-CD1 4.17Å; V526-I562 HydrophobicContact CG1-CD1 3.79Å
527G92.6Very high90.5Very high0 Ų047.7 Ų47.70%024%0.239CC..Hα-helixtrans-55.4-50.1171.300000112.3K523 E524 A525 M529 G530 N569 M572K523-G527 PolarHBondContact O-N 3.27Å; E524-G527 PolarHBondContact O-N 3.47Å; A525-G527 VanDerWaalsContact C-N 3.33Å; A525-G527 PolarHBondContact O-N 2.99Å; G527-M529 PolarHBondContact O-N 3.04Å; G527-G530 PolarHBondContact O-N 2.98Å; G527-N569 WeakPolarHBondContact CA-OD1 3.42Å; G527-M572 WeakPolarHBondContact O-CE 3.47Å
528K92.9Very high91.4Very high145 Ų14541.7 Ų41.763%0.6321%0.211SC*.Hα-helixtrans-62.7-24.4177-71.1167.1-176.3162.20113.7E524 A525 V526 G530E524-K528 WeakPolarHBondContact O-CG 3.31Å; E524-K528 PolarHBondContact O-N 3.22Å; A525-K528 PolarHBondContact O-N 3.28Å; V526-K528 PolarHBondContact O-N 3.09Å; K528-G530 PolarHBondContact O-N 2.61Å
529M92.8Very high92.1Very high57 Ų5740.9 Ų40.928%0.28121%0.206SC..THydrogen-bonded Turntrans-72.1-5.8172.7-63.9171.7-168.900113.6S484 N487 Q488 L491 A525 V526 G527S484-M529 VanDerWaalsContact OG-CE 3.24Å; S484-M529 WeakPolarHBondContact OG-CE 3.39Å; N487-M529 HydrophobicContact CB-SD 4.38Å; Q488-M529 HydrophobicContact CG-SD 3.86Å; L491-M529 HydrophobicContact CD1-CB 3.92Å; A525-M529 WeakPolarHBondContact O-CG 3.17Å; A525-M529 PolarHBondContact O-N 2.96Å; A525-M529 VanDerWaalsContact O-N 3.12Å; V526-M529 WeakPolarHBondContact O-CB 3.44Å; V526-M529 PolarHBondContact O-N 3.4Å; V526-M529 VanDerWaalsContact O-N 3.16Å; G527-M529 PolarHBondContact O-N 3.04Å
530G93.8Very high92.6Very high19 Ų1939.5 Ų39.520%0.19620%0.197CC..THydrogen-bonded Turntrans102.16.8178.200000114.7G527 K528 V532 K533 T534G527-G530 PolarHBondContact O-N 2.98Å; K528-G530 PolarHBondContact O-N 2.61Å; G530-V532 PolarHBondContact O-N 3.17Å; G530-K533 PolarHBondContact O-N 3.43Å; G530-K533 VanDerWaalsContact O-N 3.15Å; G530-T534 PolarHBondContact O-N 2.68Å; G530-T534 PolarHBondContact O-OG1 3.17Å
531F95.4Very high93Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-53.3-48.8-175.6-172.4-79000113.8L491 C511 V515 V526 K533 T534 M535 A558 I562L491-F531 HydrophobicContact CD1-CB 4.2Å; L491-F531 HydrophobicContact CD1-CD2 4.45Å; L491-F531 HydrophobicContact CD2-CB 4.13Å; L491-F531 HydrophobicContact CD2-CD2 3.75Å; L491-F531 HydrophobicContact CD2-CG 4.18Å; L491-F531 HydrophobicContact CG-CD2 4.39Å; C511-F531 HydrophobicContact CB-CE2 3.69Å; C511-F531 HydrophobicContact CB-CZ 3.92Å; V515-F531 HydrophobicContact CG1-CE1 4.4Å; V515-F531 HydrophobicContact CG1-CE2 3.93Å; V515-F531 HydrophobicContact CG1-CZ 3.76Å; V515-F531 HydrophobicContact CG2-CZ 4.22Å; V526-F531 HydrophobicContact CG1-CB 3.69Å; V526-F531 HydrophobicContact CG1-CD2 3.35Å; V526-F531 HydrophobicContact CG1-CE2 4.07Å; V526-F531 HydrophobicContact CG1-CG 3.7Å; V526-F531 VanDerWaalsContact O-CB 3.27Å; V526-F531 WeakPolarHBondContact O-CB 3.36Å; V526-F531 PolarHBondContact O-N 3.1Å; F531-K533 VanDerWaalsContact C-N 3.31Å; F531-K533 PolarHBondContact O-N 3.27Å; F531-T534 PolarHBondContact O-N 2.91Å; F531-M535 HydrophobicContact CD1-CE 4.49Å; F531-M535 HydrophobicContact CD1-CG 3.88Å; F531-M535 HydrophobicContact CD2-CE 4.29Å; F531-M535 HydrophobicContact CE1-CE 4.04Å; F531-M535 HydrophobicContact CE1-CG 3.66Å; F531-M535 HydrophobicContact CE2-CE 3.82Å; F531-M535 HydrophobicContact CZ-CE 3.7Å; F531-M535 HydrophobicContact CZ-CG 4.28Å; F531-M535 WeakPolarHBondContact O-CG 3.13Å; F531-M535 PolarHBondContact O-N 3.23Å; F531-A558 HydrophobicContact CE1-CB 3.97Å; F531-A558 HydrophobicContact CZ-CB 3.89Å; F531-I562 HydrophobicContact CB-CD1 3.9Å; F531-I562 HydrophobicContact CD1-CD1 3.38Å; F531-I562 HydrophobicContact CD1-CG2 4.24Å; F531-I562 HydrophobicContact CD2-CD1 4.37Å; F531-I562 HydrophobicContact CE1-CB 4.35Å; F531-I562 HydrophobicContact CE1-CD1 3.89Å; F531-I562 HydrophobicContact CE1-CG2 4.29Å; F531-I562 HydrophobicContact CG-CD1 3.65Å
532V96.2Very high93.3Very high0 Ų034.6 Ų34.60%017%0.171CC..Hα-helixtrans-58.3-45.5-179175.70000110.9G530 L536 L559 I562 N569 M572 F573G530-V532 PolarHBondContact O-N 3.17Å; V532-L536 HydrophobicContact CG1-CD1 4Å; V532-L536 VanDerWaalsContact O-CG 3.3Å; V532-L536 WeakPolarHBondContact O-CG 3.22Å; V532-L536 PolarHBondContact O-N 2.92Å; V532-L536 VanDerWaalsContact O-N 3.1Å; V532-L559 HydrophobicContact CB-CD2 4.23Å; V532-L559 HydrophobicContact CG1-CD2 3.96Å; V532-L559 HydrophobicContact CG2-CD2 4.37Å; V532-I562 HydrophobicContact CG2-CG2 4.11Å; V532-N569 HydrophobicContact CG2-CB 4.36Å; V532-M572 HydrophobicContact CB-CB 4.33Å; V532-M572 HydrophobicContact CB-CE 4.39Å; V532-M572 HydrophobicContact CG1-CB 4.12Å; V532-M572 HydrophobicContact CG2-CB 4.46Å; V532-F573 HydrophobicContact CG1-CB 4.19Å
533K95.3Very high93.6Very high120 Ų12033.1 Ų33.152%0.52217%0.165SC..Hα-helixtrans-64.6-43.4179-175.3-178.1179.3-1750111.3G530 F531 L536 N537G530-K533 PolarHBondContact O-N 3.43Å; G530-K533 VanDerWaalsContact O-N 3.15Å; F531-K533 VanDerWaalsContact C-N 3.31Å; F531-K533 PolarHBondContact O-N 3.27Å; K533-L536 PolarHBondContact O-N 2.66Å; K533-N537 PolarHBondContact O-N 3.39Å; K533-N537 PolarHBondContact O-ND2 3.24Å
534T95Very high93.8Very high9 Ų939.3 Ų39.36%0.05519%0.194CC..Hα-helixtrans-61.7-47.2179.5-60.30000111.6L491 L494 G530 F531 L536 N537 L538L491-T534 HydrophobicContact CD2-CG2 4.09Å; L494-T534 HydrophobicContact CB-CG2 3.55Å; L494-T534 HydrophobicContact CD1-CG2 4.37Å; G530-T534 PolarHBondContact O-N 2.68Å; G530-T534 PolarHBondContact O-OG1 3.17Å; F531-T534 PolarHBondContact O-N 2.91Å; T534-L536 PolarHBondContact O-N 3.37Å; T534-N537 PolarHBondContact O-N 2.91Å; T534-L538 WeakPolarHBondContact O-CG 3.48Å; T534-L538 PolarHBondContact O-N 3.25Å; T534-L538 VanDerWaalsContact O-N 3.09Å
535M96.1Very high93.9Very high0 Ų041 Ų410%021%0.205CC..Hα-helixtrans-63.4-41.1177.7-63.8-59.5154.200112.3L494 V508 C511 F531 N537 L538 I539 L559L494-M535 HydrophobicContact CD1-CE 3.57Å; V508-M535 HydrophobicContact CG1-SD 4.36Å; C511-M535 HydrophobicContact CB-CE 3.72Å; F531-M535 HydrophobicContact CD1-CE 4.49Å; F531-M535 HydrophobicContact CD1-CG 3.88Å; F531-M535 HydrophobicContact CD2-CE 4.29Å; F531-M535 HydrophobicContact CE1-CE 4.04Å; F531-M535 HydrophobicContact CE1-CG 3.66Å; F531-M535 HydrophobicContact CE2-CE 3.82Å; F531-M535 HydrophobicContact CZ-CE 3.7Å; F531-M535 HydrophobicContact CZ-CG 4.28Å; F531-M535 WeakPolarHBondContact O-CG 3.13Å; F531-M535 PolarHBondContact O-N 3.23Å; M535-N537 PolarHBondContact O-N 3.08Å; M535-L538 WeakPolarHBondContact O-CB 3.09Å; M535-L538 PolarHBondContact O-N 2.83Å; M535-L538 HydrophobicContact SD-CD1 4.09Å; M535-I539 WeakPolarHBondContact O-CD1 3.46Å; M535-I539 WeakPolarHBondContact O-CG1 3.44Å; M535-I539 PolarHBondContact O-N 3.44Å; M535-L559 HydrophobicContact CB-CD1 3.95Å; M535-L559 HydrophobicContact CB-CD2 3.81Å; M535-L559 HydrophobicContact CB-CG 3.67Å; M535-L559 HydrophobicContact CG-CD2 4.4Å; M535-L559 HydrophobicContact CG-CG 4.35Å
536L96.3Very high94.1Very high2 Ų248 Ų481%0.0122%0.224CC..Hα-helixtrans-64.6-38.1176.3-70.6172.6000112.6V532 K533 T534 L538 I539 Q540 L559 F573 C576 L581V532-L536 HydrophobicContact CG1-CD1 4Å; V532-L536 VanDerWaalsContact O-CG 3.3Å; V532-L536 WeakPolarHBondContact O-CG 3.22Å; V532-L536 PolarHBondContact O-N 2.92Å; V532-L536 VanDerWaalsContact O-N 3.1Å; K533-L536 PolarHBondContact O-N 2.66Å; T534-L536 PolarHBondContact O-N 3.37Å; L536-L538 VanDerWaalsContact C-N 3.32Å; L536-L538 PolarHBondContact O-N 2.75Å; L536-I539 HydrophobicContact CD2-CD1 4.38Å; L536-I539 PolarHBondContact O-N 3.35Å; L536-Q540 WeakPolarHBondContact O-CB 3.39Å; L536-Q540 PolarHBondContact O-N 3.19Å; L536-L559 HydrophobicContact CD2-CD1 3.66Å; L536-L559 HydrophobicContact CG-CD1 4.01Å; L536-F573 HydrophobicContact CD1-CD2 4.16Å; L536-F573 HydrophobicContact CD2-CD2 3.93Å; L536-F573 HydrophobicContact CD2-CE2 3.91Å; L536-C576 HydrophobicContact CD1-CB 3.45Å; L536-C576 VanDerWaalsContact CD1-CB 3.45Å; L536-L581 HydrophobicContact CB-CD1 4.08Å; L536-L581 HydrophobicContact CD2-CD1 3.95Å
537N93.9Very high94.2Very high82 Ų8250.8 Ų50.844%0.43924%0.241SC..Hα-helixtrans-63.2-38.5174-70.8-20000111.9K533 T534 M535 Q540 K541K533-N537 PolarHBondContact O-N 3.39Å; K533-N537 PolarHBondContact O-ND2 3.24Å; T534-N537 PolarHBondContact O-N 2.91Å; M535-N537 PolarHBondContact O-N 3.08Å; N537-Q540 PolarHBondContact O-N 2.94Å; N537-K541 WeakPolarHBondContact O-CB 3.45Å; N537-K541 PolarHBondContact O-N 3.11Å
538L93Very high94.2Very high8 Ų851.7 Ų51.74%0.04225%0.247CC..Hα-helixtrans-63.6-46.8175.4-68.2175.4000111.5L494 Q504 V508 T534 M535 L536 Q540 K541 K542L494-L538 HydrophobicContact CB-CD1 4.35Å; L494-L538 HydrophobicContact CD1-CD1 4.15Å; L494-L538 HydrophobicContact CD2-CD1 4Å; L494-L538 HydrophobicContact CG-CD1 4.39Å; Q504-L538 HydrophobicContact CG-CD2 4.47Å; V508-L538 HydrophobicContact CG2-CD1 3.68Å; T534-L538 WeakPolarHBondContact O-CG 3.48Å; T534-L538 PolarHBondContact O-N 3.25Å; T534-L538 VanDerWaalsContact O-N 3.09Å; M535-L538 WeakPolarHBondContact O-CB 3.09Å; M535-L538 PolarHBondContact O-N 2.83Å; M535-L538 HydrophobicContact SD-CD1 4.09Å; L536-L538 VanDerWaalsContact C-N 3.32Å; L536-L538 PolarHBondContact O-N 2.75Å; L538-Q540 VanDerWaalsContact C-N 3.35Å; L538-K541 PolarHBondContact O-N 3.43Å; L538-K542 WeakPolarHBondContact O-CG 3.47Å; L538-K542 PolarHBondContact O-N 3.23Å
539I95.6Very high94.2Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-59.1-48176-69.6157.7000110.3M535 L536 K541 K542 L543 M552 W556 L559M535-I539 WeakPolarHBondContact O-CD1 3.46Å; M535-I539 WeakPolarHBondContact O-CG1 3.44Å; M535-I539 PolarHBondContact O-N 3.44Å; L536-I539 HydrophobicContact CD2-CD1 4.38Å; L536-I539 PolarHBondContact O-N 3.35Å; I539-K541 VanDerWaalsContact C-N 3.3Å; I539-K541 PolarHBondContact O-N 3.46Å; I539-K542 PolarHBondContact O-N 3.15Å; I539-L543 VanDerWaalsContact O-CB 3.29Å; I539-L543 WeakPolarHBondContact O-CB 3.26Å; I539-L543 PolarHBondContact O-N 3.1Å; I539-M552 HydrophobicContact CG2-CE 4.35Å; I539-W556 HydrophobicContact CD1-CD2 3.58Å; I539-W556 HydrophobicContact CD1-CE3 4.17Å; I539-W556 HydrophobicContact CD1-CG 3.81Å; I539-W556 HydrophobicContact CD1-CZ2 4.07Å; I539-W556 HydrophobicContact CG1-CD2 4.44Å; I539-W556 HydrophobicContact CG1-CG 4.38Å; I539-W556 HydrophobicContact CG2-CZ2 3.72Å; I539-L559 HydrophobicContact CD1-CD1 3.55Å
540Q95.2Very high94.1Very high55 Ų5548.5 Ų48.526%0.25724%0.235SC..Hα-helixtrans-57.9-43.2178.4-175.5178.64.600111.7L536 N537 L538 Q544 L581L536-Q540 WeakPolarHBondContact O-CB 3.39Å; L536-Q540 PolarHBondContact O-N 3.19Å; N537-Q540 PolarHBondContact O-N 2.94Å; L538-Q540 VanDerWaalsContact C-N 3.35Å; Q540-Q544 VanDerWaalsContact O-CG 3.28Å; Q540-Q544 WeakPolarHBondContact O-CG 3.29Å; Q540-Q544 PolarHBondContact O-N 3.42Å; Q540-L581 HydrophobicContact CB-CD1 4.27Å; Q540-L581 HydrophobicContact CB-CD2 3.75Å; Q540-L581 HydrophobicContact CG-CD2 3.93Å
541K92.3Very high94.1Very high72 Ų7247.6 Ų47.631%0.31323%0.225SC..Hα-helixtrans-63.1-49.6176.8-174.6-177.5-177-179.70111.5A497 N537 L538 I539 L543 Q544 D545A497-K541 PolarHBondContact O-NZ 2.66Å; N537-K541 WeakPolarHBondContact O-CB 3.45Å; N537-K541 PolarHBondContact O-N 3.11Å; L538-K541 PolarHBondContact O-N 3.43Å; I539-K541 VanDerWaalsContact C-N 3.3Å; I539-K541 PolarHBondContact O-N 3.46Å; K541-L543 VanDerWaalsContact C-N 3.28Å; K541-L543 PolarHBondContact O-N 3.41Å; K541-Q544 WeakPolarHBondContact O-CB 3.34Å; K541-Q544 PolarHBondContact O-N 3.09Å; K541-Q544 VanDerWaalsContact O-N 3.13Å; K541-D545 PolarHBondContact O-N 3.19Å
542K92.7Very high94Very high17 Ų1747.6 Ų47.67%0.07423%0.225CC..Hα-helixtrans-62.4-35.7179.9-72.6-70177.11750112.4L538 I539 D545 R546 T547 D549 M552L538-K542 WeakPolarHBondContact O-CG 3.47Å; L538-K542 PolarHBondContact O-N 3.23Å; I539-K542 PolarHBondContact O-N 3.15Å; K542-D545 CarbonylContact O-C 3.58Å; K542-D545 PolarHBondContact O-N 2.75Å; K542-R546 PolarHBondContact O-N 3.26Å; K542-T547 PolarHBondContact O-N 3.4Å; K542-D549 WeakPolarHBondContact CE-OD2 3.33Å; K542-D549 IonicContact NZ-OD1 3.41Å; K542-D549 IonicContact NZ-OD2 3.24Å; K542-D549 PolarHBondContact NZ-OD2 3.48Å; K542-M552 HydrophobicContact CB-CB 4.32Å; K542-M552 HydrophobicContact CB-CE 3.48Å; K542-M552 VanDerWaalsContact CB-CE 3.48Å
543L95.3Very high93.9Very high16 Ų1649.1 Ų49.18%0.08423%0.233CC..Hα-helixtrans-64.9-44.6172.6179.966.3000111.8I539 K541 D545 R546 M552 L581 E584 E588 F589I539-L543 VanDerWaalsContact O-CB 3.29Å; I539-L543 WeakPolarHBondContact O-CB 3.26Å; I539-L543 PolarHBondContact O-N 3.1Å; K541-L543 VanDerWaalsContact C-N 3.28Å; K541-L543 PolarHBondContact O-N 3.41Å; L543-D545 VanDerWaalsContact C-N 3.29Å; L543-D545 PolarHBondContact O-N 3.48Å; L543-R546 WeakPolarHBondContact O-CA 3.47Å; L543-R546 PolarHBondContact O-N 3.35Å; L543-M552 HydrophobicContact CB-CE 4.08Å; L543-L581 HydrophobicContact CD2-CD2 4.1Å; L543-E584 HydrophobicContact CD2-CB 3.55Å; L543-E584 WeakPolarHBondContact CD2-OE2 3.28Å; L543-E588 HydrophobicContact CD1-CB 3.84Å; L543-E588 HydrophobicContact CD1-CG 4.12Å; L543-F589 HydrophobicContact CD1-CD2 4.43Å; L543-F589 HydrophobicContact CD1-CE2 3.73Å; L543-F589 HydrophobicContact CD1-CZ 4.37Å
544Q94.1Very high93.9Very high133 Ų13345.8 Ų45.862%0.62122%0.218SC*.Hα-helixtrans-61.6-38.2174.3-72.4169.83.200112.3Q540 K541 R546Q540-Q544 VanDerWaalsContact O-CG 3.28Å; Q540-Q544 WeakPolarHBondContact O-CG 3.29Å; Q540-Q544 PolarHBondContact O-N 3.42Å; K541-Q544 WeakPolarHBondContact O-CB 3.34Å; K541-Q544 PolarHBondContact O-N 3.09Å; K541-Q544 VanDerWaalsContact O-N 3.13Å; Q544-R546 PolarHBondContact O-N 3.27Å
545D92.1Very high94Very high93 Ų9345.3 Ų45.350%0.49722%0.216SC..THydrogen-bonded Turntrans-77.81.1175.3-64.9-23.3000112.7K541 K542 L543 T547K541-D545 PolarHBondContact O-N 3.19Å; K542-D545 CarbonylContact O-C 3.58Å; K542-D545 PolarHBondContact O-N 2.75Å; L543-D545 VanDerWaalsContact C-N 3.29Å; L543-D545 PolarHBondContact O-N 3.48Å; D545-T547 VanDerWaalsContact CB-OG1 3.22Å; D545-T547 WeakPolarHBondContact CB-OG1 3.36Å; D545-T547 PolarHBondContact O-N 2.97Å; D545-T547 VanDerWaalsContact O-N 3.15Å; D545-T547 PolarHBondContact O-OG1 3.3Å; D545-T547 VanDerWaalsContact O-OG1 3.08Å
546R94.3Very high94Very high179 Ų17945.4 Ų45.468%0.67522%0.216SC*.THydrogen-bonded Turntrans4937.7-176.8-59.8-175.4175.4-167.5-6.1113.5K542 L543 Q544 E588K542-R546 PolarHBondContact O-N 3.26Å; L543-R546 WeakPolarHBondContact O-CA 3.47Å; L543-R546 PolarHBondContact O-N 3.35Å; Q544-R546 PolarHBondContact O-N 3.27Å; R546-E588 VanDerWaalsContact CD-OE1 3.28Å; R546-E588 WeakPolarHBondContact CD-OE1 3.4Å; R546-E588 WeakPolarHBondContact CG-OE1 3.41Å; R546-E588 IonicContact NE-OE1 3.28Å
547T92.9Very high94Very high59 Ų5946.3 Ų46.336%0.36222%0.222SC..  trans-118121.8-176.86.40000110.5K542 D545K542-T547 PolarHBondContact O-N 3.4Å; D545-T547 VanDerWaalsContact CB-OG1 3.22Å; D545-T547 WeakPolarHBondContact CB-OG1 3.36Å; D545-T547 PolarHBondContact O-N 2.97Å; D545-T547 VanDerWaalsContact O-N 3.15Å; D545-T547 PolarHBondContact O-OG1 3.3Å; D545-T547 VanDerWaalsContact O-OG1 3.08Å
548C93.3Very high94.1Very high20 Ų2042.4 Ų42.414%0.13520%0.201CC..  trans-110.692.7170.2179.70000108.7M552 F589 K592C548-M552 HydrophobicContact CB-SD 4.08Å; C548-F589 HydrophobicContact CB-CD1 3.78Å; C548-F589 HydrophobicContact CB-CD2 4.3Å; C548-F589 HydrophobicContact CB-CE1 3.8Å; C548-F589 HydrophobicContact CB-CE2 4.32Å; C548-F589 HydrophobicContact CB-CG 4.05Å; C548-F589 HydrophobicContact CB-CZ 4.07Å; C548-K592 HydrophobicContact CB-CD 4.45Å; C548-K592 HydrophobicContact CB-CG 4.22Å
549D92.1Very high94.2Very high32 Ų3242 Ų4217%0.17120%0.199CC..  trans-114.7-177.417863.99.1000111.3K542 V551 M552 E553K542-D549 WeakPolarHBondContact CE-OD2 3.33Å; K542-D549 IonicContact NZ-OD1 3.41Å; K542-D549 IonicContact NZ-OD2 3.24Å; K542-D549 PolarHBondContact NZ-OD2 3.48Å; D549-V551 PolarHBondContact O-N 3.17Å; D549-V551 VanDerWaalsContact O-N 3.13Å; D549-V551 WeakPolarHBondContact OD1-CA 3.24Å; D549-V551 VanDerWaalsContact OD1-CB 3.26Å; D549-V551 WeakPolarHBondContact OD1-CB 3.38Å; D549-V551 PolarHBondContact OD1-N 3.06Å; D549-M552 PolarHBondContact O-N 3.42Å; D549-M552 VanDerWaalsContact O-N 3.09Å; D549-M552 PolarHBondContact OD1-N 3.3Å; D549-M552 VanDerWaalsContact OD1-N 3.08Å; D549-E553 PolarHBondContact O-N 3.18Å
550Q91.8Very high94.2Very high102 Ų10244.4 Ų44.448%0.47721%0.208SC..Hα-helixtrans-57.5-26.8177-71.6178-3.900113.1F554Q550-F554 HydrophobicContact CB-CD2 4.27Å; Q550-F554 HydrophobicContact CB-CE2 4.12Å; Q550-F554 VanDerWaalsContact O-CB 3.23Å; Q550-F554 WeakPolarHBondContact O-CB 3.22Å; Q550-F554 VanDerWaalsContact O-CD2 3.26Å; Q550-F554 WeakPolarHBondContact O-CD2 3.47Å; Q550-F554 VanDerWaalsContact O-CG 3.24Å; Q550-F554 WeakPolarHBondContact O-CG 3.47Å; Q550-F554 PolarHBondContact O-N 3.14Å
551V93.1Very high94.1Very high0 Ų042.7 Ų42.70%020%0.201CC..Hα-helixtrans-67.1-46.6177.3-177.60000109.6Q504 R505 V508 D549 S555Q504-V551 HydrophobicContact CG-CG1 3.94Å; Q504-V551 HydrophobicContact CG-CG2 4.49Å; R505-V551 HydrophobicContact CB-CG2 4.04Å; R505-V551 HydrophobicContact CG-CG2 4.46Å; V508-V551 HydrophobicContact CG2-CG1 4.06Å; D549-V551 PolarHBondContact O-N 3.17Å; D549-V551 VanDerWaalsContact O-N 3.13Å; D549-V551 WeakPolarHBondContact OD1-CA 3.24Å; D549-V551 VanDerWaalsContact OD1-CB 3.26Å; D549-V551 WeakPolarHBondContact OD1-CB 3.38Å; D549-V551 PolarHBondContact OD1-N 3.06Å; V551-S555 VanDerWaalsContact O-CB 3.27Å; V551-S555 WeakPolarHBondContact O-CB 3.38Å; V551-S555 PolarHBondContact O-N 2.93Å; V551-S555 PolarHBondContact O-OG 3.3Å
552M94.7Very high94.2Very high0 Ų039.3 Ų39.30%019%0.186CC..Hα-helixtrans-63.3-47.4176.2179.9174.1-89.300111.3I539 K542 L543 C548 D549 S555 W556 F589 L595I539-M552 HydrophobicContact CG2-CE 4.35Å; K542-M552 HydrophobicContact CB-CB 4.32Å; K542-M552 HydrophobicContact CB-CE 3.48Å; K542-M552 VanDerWaalsContact CB-CE 3.48Å; L543-M552 HydrophobicContact CB-CE 4.08Å; C548-M552 HydrophobicContact CB-SD 4.08Å; D549-M552 PolarHBondContact O-N 3.42Å; D549-M552 VanDerWaalsContact O-N 3.09Å; D549-M552 PolarHBondContact OD1-N 3.3Å; D549-M552 VanDerWaalsContact OD1-N 3.08Å; M552-S555 PolarHBondContact O-N 3.49Å; M552-W556 VanDerWaalsContact O-CD1 3.31Å; M552-W556 PolarHBondContact O-N 2.95Å; M552-W556 VanDerWaalsContact O-N 3.1Å; M552-F589 HydrophobicContact CE-CE2 3.71Å; M552-F589 HydrophobicContact CE-CZ 4.33Å; M552-F589 HydrophobicContact SD-CD2 4.04Å; M552-F589 HydrophobicContact SD-CE2 3.63Å; M552-F589 HydrophobicContact SD-CZ 4.33Å; M552-L595 HydrophobicContact CG-CD1 3.83Å; M552-L595 HydrophobicContact SD-CD1 4.21Å; M552-L595 HydrophobicContact SD-CD2 4.04Å
553E93.8Very high94.3Very high33 Ų3338.5 Ų38.515%0.15418%0.183CC..Hα-helixtrans-62.1-46.8-179.2-71.1173.7-176.200112.2D549 S555 W556 S557 N598D549-E553 PolarHBondContact O-N 3.18Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3Å; E553-W556 PolarHBondContact O-N 3.38Å; E553-S557 WeakPolarHBondContact O-CB 3.31Å; E553-S557 PolarHBondContact O-N 3.39Å; E553-N598 PolarHBondContact O-ND2 3.32Å
554F94.7Very high94.1Very high49 Ų4939 Ų3922%0.21519%0.186CC..Hα-helixtrans-69.3-29.9176.7-67.7-30.7000113V508 H509 Q550 S557 A558V508-F554 HydrophobicContact CG1-CB 3.56Å; H509-F554 HydrophobicContact CB-CD2 4.13Å; H509-F554 HydrophobicContact CB-CE2 4.11Å; H509-F554 AromaticContact ND1-CE2 3.69Å; H509-F554 AromaticContact ND1-CZ 3.81Å; Q550-F554 HydrophobicContact CB-CD2 4.27Å; Q550-F554 HydrophobicContact CB-CE2 4.12Å; Q550-F554 VanDerWaalsContact O-CB 3.23Å; Q550-F554 WeakPolarHBondContact O-CB 3.22Å; Q550-F554 VanDerWaalsContact O-CD2 3.26Å; Q550-F554 WeakPolarHBondContact O-CD2 3.47Å; Q550-F554 VanDerWaalsContact O-CG 3.24Å; Q550-F554 WeakPolarHBondContact O-CG 3.47Å; Q550-F554 PolarHBondContact O-N 3.14Å; F554-S557 PolarHBondContact O-N 3.03Å; F554-A558 WeakPolarHBondContact O-CB 3.22Å; F554-A558 PolarHBondContact O-N 2.97Å
555S96.1Very high93.8Very high0 Ų036.6 Ų36.60%018%0.175CC..Hα-helixtrans-64.9-44.8174.8-61.40000111V551 M552 E553 A558 L559V551-S555 VanDerWaalsContact O-CB 3.27Å; V551-S555 WeakPolarHBondContact O-CB 3.38Å; V551-S555 PolarHBondContact O-N 2.93Å; V551-S555 PolarHBondContact O-OG 3.3Å; M552-S555 PolarHBondContact O-N 3.49Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3Å; S555-A558 PolarHBondContact O-N 3.04Å; S555-L559 WeakPolarHBondContact O-CG 3.43Å; S555-L559 PolarHBondContact O-N 3.16Å
556W97Very high93.8Very high1 Ų132.2 Ų32.20%0.00415%0.151CC..Hα-helixtrans-67.1-39.6174.4-78.7110000112.5I539 M552 E553 A558 L559 W560 F573 L581 F582 L595 N598 M599 L602I539-W556 HydrophobicContact CD1-CD2 3.58Å; I539-W556 HydrophobicContact CD1-CE3 4.17Å; I539-W556 HydrophobicContact CD1-CG 3.81Å; I539-W556 HydrophobicContact CD1-CZ2 4.07Å; I539-W556 HydrophobicContact CG1-CD2 4.44Å; I539-W556 HydrophobicContact CG1-CG 4.38Å; I539-W556 HydrophobicContact CG2-CZ2 3.72Å; M552-W556 VanDerWaalsContact O-CD1 3.31Å; M552-W556 PolarHBondContact O-N 2.95Å; M552-W556 VanDerWaalsContact O-N 3.1Å; E553-W556 PolarHBondContact O-N 3.38Å; W556-A558 VanDerWaalsContact C-N 3.34Å; W556-A558 PolarHBondContact O-N 3.31Å; W556-L559 HydrophobicContact CE3-CD1 4.2Å; W556-L559 PolarHBondContact O-N 3.5Å; W556-W560 PolarHBondContact O-N 3.01Å; W556-F573 HydrophobicContact CH2-CE2 4.12Å; W556-F573 HydrophobicContact CH2-CZ 4.47Å; W556-F573 AromaticContact CZ3-CE2 3.71Å; W556-F573 HydrophobicContact CZ3-CE2 3.71Å; W556-F573 HydrophobicContact CZ3-CZ 4.18Å; W556-L581 HydrophobicContact CZ2-CB 4.45Å; W556-F582 HydrophobicContact CH2-CB 4.23Å; W556-L595 HydrophobicContact CB-CD1 4.44Å; W556-L595 HydrophobicContact CG-CD1 3.98Å; W556-N598 HydrophobicContact CB-CB 3.95Å; W556-M599 HydrophobicContact CD2-CG 3.46Å; W556-M599 VanDerWaalsContact CD2-CG 3.46Å; W556-M599 HydrophobicContact CD2-SD 4.27Å; W556-M599 HydrophobicContact CE3-CB 4.49Å; W556-M599 HydrophobicContact CE3-CG 3.72Å; W556-M599 HydrophobicContact CG-CG 3.86Å; W556-M599 HydrophobicContact CH2-CG 4.2Å; W556-M599 HydrophobicContact CH2-SD 4.28Å; W556-M599 HydrophobicContact CZ2-CG 3.96Å; W556-M599 HydrophobicContact CZ2-SD 3.74Å; W556-M599 HydrophobicContact CZ3-CG 4.07Å; W556-L602 HydrophobicContact CE3-CD1 3.96Å; W556-L602 HydrophobicContact CZ3-CD1 3.98Å
557S95.5Very high93.8Very high21 Ų2126.8 Ų26.815%0.14714%0.139CC..Hα-helixtrans-60.9-42.7174.3-176.40000111.9N512 E553 F554 L559 W560 N561N512-S557 PolarHBondContact ND2-OG 3.02Å; N512-S557 PolarHBondContact OD1-OG 3.14Å; E553-S557 WeakPolarHBondContact O-CB 3.31Å; E553-S557 PolarHBondContact O-N 3.39Å; F554-S557 PolarHBondContact O-N 3.03Å; S557-L559 PolarHBondContact O-N 3.31Å; S557-W560 WeakPolarHBondContact O-CB 3.46Å; S557-W560 PolarHBondContact O-N 3.04Å; S557-N561 PolarHBondContact O-N 2.91Å; S557-N561 PolarHBondContact O-ND2 3.47Å
558A95.8Very high93.9Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-65.1-40.1176.900000111.8N512 V515 F531 F554 S555 W556 N561 I562N512-A558 HydrophobicContact CB-CB 4.02Å; N512-A558 VanDerWaalsContact OD1-CA 3.26Å; N512-A558 WeakPolarHBondContact OD1-CA 3.4Å; N512-A558 PolarHBondContact OD1-N 3.34Å; N512-A558 VanDerWaalsContact OD1-N 3.16Å; V515-A558 HydrophobicContact CG2-CB 4.34Å; F531-A558 HydrophobicContact CE1-CB 3.97Å; F531-A558 HydrophobicContact CZ-CB 3.89Å; F554-A558 WeakPolarHBondContact O-CB 3.22Å; F554-A558 PolarHBondContact O-N 2.97Å; S555-A558 PolarHBondContact O-N 3.04Å; W556-A558 VanDerWaalsContact C-N 3.34Å; W556-A558 PolarHBondContact O-N 3.31Å; A558-N561 PolarHBondContact O-N 3.33Å; A558-I562 WeakPolarHBondContact O-CB 3.39Å; A558-I562 PolarHBondContact O-N 3.08Å
559L97.1Very high94.1Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-65.8-39.2174.1-73.2172.5000112.2V532 M535 L536 I539 S555 W556 S557 I562 T563 L602V532-L559 HydrophobicContact CB-CD2 4.23Å; V532-L559 HydrophobicContact CG1-CD2 3.96Å; V532-L559 HydrophobicContact CG2-CD2 4.37Å; M535-L559 HydrophobicContact CB-CD1 3.95Å; M535-L559 HydrophobicContact CB-CD2 3.81Å; M535-L559 HydrophobicContact CB-CG 3.67Å; M535-L559 HydrophobicContact CG-CD2 4.4Å; M535-L559 HydrophobicContact CG-CG 4.35Å; L536-L559 HydrophobicContact CD2-CD1 3.66Å; L536-L559 HydrophobicContact CG-CD1 4.01Å; I539-L559 HydrophobicContact CD1-CD1 3.55Å; S555-L559 WeakPolarHBondContact O-CG 3.43Å; S555-L559 PolarHBondContact O-N 3.16Å; W556-L559 HydrophobicContact CE3-CD1 4.2Å; W556-L559 PolarHBondContact O-N 3.5Å; S557-L559 PolarHBondContact O-N 3.31Å; L559-I562 HydrophobicContact CD2-CG2 4.48Å; L559-I562 PolarHBondContact O-N 2.96Å; L559-T563 WeakPolarHBondContact O-CB 3.35Å; L559-T563 VanDerWaalsContact O-CG2 3.24Å; L559-T563 WeakPolarHBondContact O-CG2 3.45Å; L559-T563 PolarHBondContact O-N 3.07Å; L559-T563 VanDerWaalsContact O-N 3.14Å; L559-T563 PolarHBondContact O-OG1 2.88Å; L559-L602 HydrophobicContact CB-CD1 3.4Å; L559-L602 HydrophobicContact CD1-CD1 4.38Å; L559-L602 HydrophobicContact CG-CD1 4.47Å
560W94.5Very high94.3Very high50 Ų5025.7 Ų25.719%0.18913%0.129CC..Hα-helixtrans-60-47173.6-179.818.4000110.8W556 S557 T563 D564 G601 L602 N605W556-W560 PolarHBondContact O-N 3.01Å; S557-W560 WeakPolarHBondContact O-CB 3.46Å; S557-W560 PolarHBondContact O-N 3.04Å; W560-T563 PolarHBondContact O-OG1 3.34Å; W560-D564 PolarHBondContact O-N 2.92Å; W560-G601 VanDerWaalsContact NE1-C 3.3Å; W560-G601 PolarHBondContact NE1-O 3.05Å; W560-L602 HydrophobicContact CB-CB 4.14Å; W560-N605 VanDerWaalsContact CD1-ND2 3.28Å; W560-N605 PolarHBondContact O-ND2 3.28Å
561N93.4Very high94.6Very high20 Ų2023.4 Ų23.411%0.10712%0.119CC..Hα-helixtrans-65.4-41178.8-75.3-36000113.6N512 V515 K523 S557 A558 T563 D564N512-N561 PolarHBondContact OD1-ND2 2.84Å; V515-N561 HydrophobicContact CB-CB 4.44Å; V515-N561 HydrophobicContact CG2-CB 3.7Å; K523-N561 WeakPolarHBondContact CE-O 3.26Å; S557-N561 PolarHBondContact O-N 2.91Å; S557-N561 PolarHBondContact O-ND2 3.47Å; A558-N561 PolarHBondContact O-N 3.33Å; N561-T563 VanDerWaalsContact C-N 3.34Å; N561-D564 WeakPolarHBondContact O-CB 3.27Å
562I94.5Very high94.7Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-76.1-22.7-176.3-154.1174.9000112.9V515 K523 V526 F531 V532 A558 L559 T566 N569V515-I562 HydrophobicContact CB-CB 4.45Å; V515-I562 HydrophobicContact CG1-CD1 4.25Å; V515-I562 HydrophobicContact CG1-CG1 4.33Å; K523-I562 HydrophobicContact CB-CG1 4.28Å; V526-I562 HydrophobicContact CB-CD1 4.17Å; V526-I562 HydrophobicContact CG1-CD1 3.79Å; F531-I562 HydrophobicContact CB-CD1 3.9Å; F531-I562 HydrophobicContact CD1-CD1 3.38Å; F531-I562 HydrophobicContact CD1-CG2 4.24Å; F531-I562 HydrophobicContact CD2-CD1 4.37Å; F531-I562 HydrophobicContact CE1-CB 4.35Å; F531-I562 HydrophobicContact CE1-CD1 3.89Å; F531-I562 HydrophobicContact CE1-CG2 4.29Å; F531-I562 HydrophobicContact CG-CD1 3.65Å; V532-I562 HydrophobicContact CG2-CG2 4.11Å; A558-I562 WeakPolarHBondContact O-CB 3.39Å; A558-I562 PolarHBondContact O-N 3.08Å; L559-I562 HydrophobicContact CD2-CG2 4.48Å; L559-I562 PolarHBondContact O-N 2.96Å; I562-T566 PolarHBondContact O-OG1 3.49Å; I562-N569 PolarHBondContact O-ND2 3.1Å
563T94.3Very high94.9Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-87.6-14.7177.852.60000113.6L559 W560 N561 E565 T566 N569 C570 L602 N605L559-T563 WeakPolarHBondContact O-CB 3.35Å; L559-T563 VanDerWaalsContact O-CG2 3.24Å; L559-T563 WeakPolarHBondContact O-CG2 3.45Å; L559-T563 PolarHBondContact O-N 3.07Å; L559-T563 VanDerWaalsContact O-N 3.14Å; L559-T563 PolarHBondContact O-OG1 2.88Å; W560-T563 PolarHBondContact O-OG1 3.34Å; N561-T563 VanDerWaalsContact C-N 3.34Å; T563-E565 PolarHBondContact O-N 2.88Å; T563-T566 VanDerWaalsContact CA-OG1 3.26Å; T563-T566 WeakPolarHBondContact CA-OG1 3.41Å; T563-T566 PolarHBondContact O-N 3.49Å; T563-T566 PolarHBondContact O-OG1 3.43Å; T563-N569 HydrophobicContact CG2-CB 4.35Å; T563-C570 PolarHBondContact O-SG 3.16Å; T563-L602 HydrophobicContact CG2-CG 4.45Å; T563-N605 PolarHBondContact OG1-ND2 3.39Å
564D91.2Very high95Very high27 Ų2725.3 Ų25.314%0.14413%0.129CC..THydrogen-bonded Turntrans-61.2118.2177.3179.542.4000110.8K523 W560 N561 T566 N605 R689K523-D564 PolarHBondContact NZ-O 3.08Å; K523-D564 IonicContact NZ-OD2 3.75Å; K523-D564 PolarHBondContact NZ-OD2 2.71Å; W560-D564 PolarHBondContact O-N 2.92Å; N561-D564 WeakPolarHBondContact O-CB 3.27Å; D564-T566 PolarHBondContact O-N 3.36Å; D564-N605 WeakPolarHBondContact CA-ND2 3.45Å; D564-N605 PolarHBondContact N-ND2 3.32Å; D564-N605 VanDerWaalsContact N-ND2 3.18Å; D564-R689 IonicContact OD2-CZ 3.81Å; D564-R689 IonicContact OD2-NE 3.9Å; D564-R689 IonicContact OD2-NH2 2.83Å
565E87.9Confident95Very high83 Ų8328.3 Ų28.339%0.38815%0.147SC..THydrogen-bonded Turntrans55.626.3-176-60-176.7172.400115.8N520 T563N520-E565 PolarHBondContact ND2-OE2 3.26Å; T563-E565 PolarHBondContact O-N 2.88Å
566T92.3Very high94.9Very high1 Ų130.4 Ų30.41%0.00616%0.161CC..  trans-129.988.6-177.653.10000112.8N520 K523 E524 I562 T563 D564 D568 N569 C570N520-T566 HydrophobicContact CB-CG2 4.34Å; K523-T566 HydrophobicContact CB-CG2 3.77Å; K523-T566 HydrophobicContact CD-CG2 3.95Å; E524-T566 HydrophobicContact CG-CG2 4.26Å; I562-T566 PolarHBondContact O-OG1 3.49Å; T563-T566 VanDerWaalsContact CA-OG1 3.26Å; T563-T566 WeakPolarHBondContact CA-OG1 3.41Å; T563-T566 PolarHBondContact O-N 3.49Å; T563-T566 PolarHBondContact O-OG1 3.43Å; D564-T566 PolarHBondContact O-N 3.36Å; T566-D568 VanDerWaalsContact C-N 3.29Å; T566-D568 PolarHBondContact O-N 2.82Å; T566-N569 PolarHBondContact O-N 3.3Å; T566-N569 VanDerWaalsContact O-N 3.07Å; T566-N569 PolarHBondContact OG1-ND2 3.34Å; T566-C570 PolarHBondContact O-N 3.01Å; T566-C570 VanDerWaalsContact O-N 3.11Å
567P94.4Very high94.7Very high64 Ų6436.5 Ų36.542%0.41618%0.184SC..Hα-helixtrans-55.3-37.7-176.2-2936.5000115N569 C570 Q571 V609P567-N569 PolarHBondContact O-N 2.94Å; P567-C570 WeakPolarHBondContact O-CB 3.37Å; P567-C570 PolarHBondContact O-N 2.9Å; P567-Q571 PolarHBondContact O-N 3.43Å; P567-V609 HydrophobicContact CB-CG1 4Å; P567-V609 HydrophobicContact CB-CG2 4.3Å; P567-V609 HydrophobicContact CG-CG1 4.46Å; P567-V609 HydrophobicContact CG-CG2 4.35Å
568D95.4Very high94.7Very high86 Ų8635.5 Ų35.546%0.4618%0.177SC..Hα-helixtrans-63-42.4178.7-77.3-4000111.5T566 Q571 M572T566-D568 VanDerWaalsContact C-N 3.29Å; T566-D568 PolarHBondContact O-N 2.82Å; D568-Q571 PolarHBondContact O-N 3.42Å; D568-M572 WeakPolarHBondContact O-CG 3.42Å; D568-M572 PolarHBondContact O-N 2.91Å
569N96.4Very high94.6Very high2 Ų236.8 Ų36.81%0.01118%0.183CC..Hα-helixtrans-69.6-38.1178.3-68.9-21.1000111.4K523 G527 V532 I562 T563 T566 P567 Q571 M572 F573K523-N569 PolarHBondContact O-ND2 3.27Å; G527-N569 WeakPolarHBondContact CA-OD1 3.42Å; V532-N569 HydrophobicContact CG2-CB 4.36Å; I562-N569 PolarHBondContact O-ND2 3.1Å; T563-N569 HydrophobicContact CG2-CB 4.35Å; T566-N569 PolarHBondContact O-N 3.3Å; T566-N569 VanDerWaalsContact O-N 3.07Å; T566-N569 PolarHBondContact OG1-ND2 3.34Å; P567-N569 PolarHBondContact O-N 2.94Å; N569-Q571 VanDerWaalsContact C-N 3.34Å; N569-Q571 PolarHBondContact O-N 3.36Å; N569-M572 WeakPolarHBondContact O-CB 3.44Å; N569-M572 PolarHBondContact O-N 2.64Å; N569-F573 PolarHBondContact O-N 3.27Å
570C97.1Very high94.5Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-59-44.4171-67.50000111.6T563 T566 P567 F573 L574 V606 V609 L612T563-C570 PolarHBondContact O-SG 3.16Å; T566-C570 PolarHBondContact O-N 3.01Å; T566-C570 VanDerWaalsContact O-N 3.11Å; P567-C570 WeakPolarHBondContact O-CB 3.37Å; P567-C570 PolarHBondContact O-N 2.9Å; C570-F573 WeakPolarHBondContact O-CB 3.29Å; C570-F573 PolarHBondContact O-N 2.83Å; C570-L574 PolarHBondContact O-N 2.97Å; C570-V606 HydrophobicContact CB-CG2 4.02Å; C570-V609 HydrophobicContact CB-CG2 4.36Å; C570-L612 HydrophobicContact CB-CD1 3.4Å
571Q96.8Very high94.6Very high55 Ų5536.8 Ų36.826%0.25719%0.191SC..Hα-helixtrans-66.1-38.3176.8-176.459.789.600111.7P567 D568 N569 F573 L574 N575 L612 Q615P567-Q571 PolarHBondContact O-N 3.43Å; D568-Q571 PolarHBondContact O-N 3.42Å; N569-Q571 VanDerWaalsContact C-N 3.34Å; N569-Q571 PolarHBondContact O-N 3.36Å; Q571-F573 VanDerWaalsContact C-N 3.34Å; Q571-F573 PolarHBondContact O-N 2.99Å; Q571-L574 PolarHBondContact O-N 3.27Å; Q571-N575 PolarHBondContact NE2-OD1 3.2Å; Q571-N575 WeakPolarHBondContact O-CB 3.21Å; Q571-N575 PolarHBondContact O-N 3.38Å; Q571-N575 PolarHBondContact O-ND2 3.17Å; Q571-N575 PolarHBondContact O-OD1 3.08Å; Q571-L612 HydrophobicContact CB-CD1 4.29Å; Q571-L612 HydrophobicContact CB-CD2 4.04Å; Q571-L612 HydrophobicContact CG-CD2 4.26Å; Q571-Q615 VanDerWaalsContact OE1-NE2 3.15Å
572M96.4Very high94.8Very high52 Ų5235.8 Ų35.826%0.25619%0.186SC..Hα-helixtrans-61-41173.6-73.7-179.26900112.2G527 V532 D568 N569 L574 N575 C576G527-M572 WeakPolarHBondContact O-CE 3.47Å; V532-M572 HydrophobicContact CB-CB 4.33Å; V532-M572 HydrophobicContact CB-CE 4.39Å; V532-M572 HydrophobicContact CG1-CB 4.12Å; V532-M572 HydrophobicContact CG2-CB 4.46Å; D568-M572 WeakPolarHBondContact O-CG 3.42Å; D568-M572 PolarHBondContact O-N 2.91Å; N569-M572 WeakPolarHBondContact O-CB 3.44Å; N569-M572 PolarHBondContact O-N 2.64Å; M572-L574 PolarHBondContact O-N 3.18Å; M572-N575 PolarHBondContact O-N 3.25Å; M572-C576 WeakPolarHBondContact O-CB 3.36Å; M572-C576 PolarHBondContact O-N 2.94Å; M572-C576 PolarHBondContact O-SG 3.27Å; M572-C576 VanDerWaalsContact O-SG 3.37Å
573F97.7Very high94.8Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-58-47.6175.6166-96.5000111.5V532 L536 W556 N569 C570 Q571 C576 G578 M579 L602 L603 V606V532-F573 HydrophobicContact CG1-CB 4.19Å; L536-F573 HydrophobicContact CD1-CD2 4.16Å; L536-F573 HydrophobicContact CD2-CD2 3.93Å; L536-F573 HydrophobicContact CD2-CE2 3.91Å; W556-F573 HydrophobicContact CH2-CE2 4.12Å; W556-F573 HydrophobicContact CH2-CZ 4.47Å; W556-F573 AromaticContact CZ3-CE2 3.71Å; W556-F573 HydrophobicContact CZ3-CE2 3.71Å; W556-F573 HydrophobicContact CZ3-CZ 4.18Å; N569-F573 PolarHBondContact O-N 3.27Å; C570-F573 WeakPolarHBondContact O-CB 3.29Å; C570-F573 PolarHBondContact O-N 2.83Å; Q571-F573 VanDerWaalsContact C-N 3.34Å; Q571-F573 PolarHBondContact O-N 2.99Å; F573-C576 PolarHBondContact O-N 3.08Å; F573-G578 VanDerWaalsContact CZ-CA 3.46Å; F573-G578 WeakPolarHBondContact CZ-O 3.39Å; F573-G578 WeakPolarHBondContact O-CA 3.39Å; F573-G578 PolarHBondContact O-N 3.46Å; F573-M579 HydrophobicContact CE1-CG 4.41Å; F573-M579 HydrophobicContact CE1-SD 4.31Å; F573-L602 HydrophobicContact CD1-CD2 3.78Å; F573-L602 HydrophobicContact CD2-CD1 4.04Å; F573-L602 HydrophobicContact CD2-CD2 3.94Å; F573-L602 HydrophobicContact CE1-CD2 3.57Å; F573-L602 HydrophobicContact CE2-CD1 3.93Å; F573-L602 HydrophobicContact CE2-CD2 3.74Å; F573-L602 HydrophobicContact CG-CD2 3.96Å; F573-L602 HydrophobicContact CZ-CD1 4.49Å; F573-L602 HydrophobicContact CZ-CD2 3.55Å; F573-L603 HydrophobicContact CE1-CD2 3.9Å; F573-L603 HydrophobicContact CZ-CD2 4.32Å; F573-V606 HydrophobicContact CD1-CG2 4.09Å
574L96.2Very high94.8Very high20 Ų2040.8 Ų40.811%0.10521%0.21CC..Hα-helixtrans-62.6-45.6177.5-65.3177.7000111.8C570 Q571 M572 C576 R577 M579 V606 L612 Q615 L616C570-L574 PolarHBondContact O-N 2.97Å; Q571-L574 PolarHBondContact O-N 3.27Å; M572-L574 PolarHBondContact O-N 3.18Å; L574-C576 PolarHBondContact O-N 2.97Å; L574-R577 PolarHBondContact O-N 2.86Å; L574-M579 HydrophobicContact CD2-CG 3.44Å; L574-M579 VanDerWaalsContact CD2-CG 3.44Å; L574-M579 HydrophobicContact CD2-SD 3.96Å; L574-V606 HydrophobicContact CD1-CG1 3.94Å; L574-V606 HydrophobicContact CD2-CG1 4.2Å; L574-V606 HydrophobicContact CG-CG1 4.2Å; L574-L612 HydrophobicContact CD1-CB 3.98Å; L574-L612 HydrophobicContact CD1-CD1 4.22Å; L574-L612 HydrophobicContact CD1-CD2 4.24Å; L574-L612 HydrophobicContact CD1-CG 4.37Å; L574-Q615 HydrophobicContact CD1-CB 4.06Å; L574-L616 HydrophobicContact CD2-CD2 4.18Å
575N95.1Very high95.1Very high113 Ų11339.5 Ų39.560%0.60420%0.203SC*.Hα-helixtrans-62.8-30.3180-70.2-12.7000112.8Q571 M572 R577Q571-N575 PolarHBondContact NE2-OD1 3.2Å; Q571-N575 WeakPolarHBondContact O-CB 3.21Å; Q571-N575 PolarHBondContact O-N 3.38Å; Q571-N575 PolarHBondContact O-ND2 3.17Å; Q571-N575 PolarHBondContact O-OD1 3.08Å; M572-N575 PolarHBondContact O-N 3.25Å; N575-R577 VanDerWaalsContact C-N 3.32Å; N575-R577 PolarHBondContact O-N 3.44Å
576C93.8Very high95.3Very high43 Ų4336.9 Ų36.929%0.29119%0.191SC..THydrogen-bonded Turntrans-93.229.4-177.5-69.60000113.5L536 M572 F573 L574 G578L536-C576 HydrophobicContact CD1-CB 3.45Å; L536-C576 VanDerWaalsContact CD1-CB 3.45Å; M572-C576 WeakPolarHBondContact O-CB 3.36Å; M572-C576 PolarHBondContact O-N 2.94Å; M572-C576 PolarHBondContact O-SG 3.27Å; M572-C576 VanDerWaalsContact O-SG 3.37Å; F573-C576 PolarHBondContact O-N 3.08Å; L574-C576 PolarHBondContact O-N 2.97Å; C576-G578 PolarHBondContact O-N 2.87Å
577R93.5Very high95.3Very high129 Ų12944.8 Ų44.849%0.48723%0.228SC..THydrogen-bonded Turntrans61.523.5179.7-55178.759.9-154-7.4114.7L574 N575 M579 S580 L581 E584L574-R577 PolarHBondContact O-N 2.86Å; N575-R577 VanDerWaalsContact C-N 3.32Å; N575-R577 PolarHBondContact O-N 3.44Å; R577-M579 PolarHBondContact O-N 3.24Å; R577-S580 PolarHBondContact O-N 3.36Å; R577-S580 VanDerWaalsContact O-N 3.08Å; R577-L581 PolarHBondContact O-N 3.01Å; R577-E584 IonicContact NH2-OE1 3.12Å
578G95.4Very high95.4Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-56.1-36.6-178.600000113.9F573 C576 L581 F582F573-G578 VanDerWaalsContact CZ-CA 3.46Å; F573-G578 WeakPolarHBondContact CZ-O 3.39Å; F573-G578 WeakPolarHBondContact O-CA 3.39Å; F573-G578 PolarHBondContact O-N 3.46Å; C576-G578 PolarHBondContact O-N 2.87Å; G578-L581 PolarHBondContact O-N 2.96Å; G578-F582 PolarHBondContact O-N 3.36Å
579M94.2Very high95.4Very high27 Ų2742.1 Ų42.113%0.13321%0.207CC..Hα-helixtrans-66.2-38.9177.1-68.1-70.3-74.100113.3F573 L574 R577 L583 L603 L616 F621F573-M579 HydrophobicContact CE1-CG 4.41Å; F573-M579 HydrophobicContact CE1-SD 4.31Å; L574-M579 HydrophobicContact CD2-CG 3.44Å; L574-M579 VanDerWaalsContact CD2-CG 3.44Å; L574-M579 HydrophobicContact CD2-SD 3.96Å; R577-M579 PolarHBondContact O-N 3.24Å; M579-L583 WeakPolarHBondContact O-CG 3.42Å; M579-L583 PolarHBondContact O-N 2.52Å; M579-L603 HydrophobicContact SD-CD2 3.54Å; M579-L603 VanDerWaalsContact SD-CD2 3.54Å; M579-L616 HydrophobicContact CE-CD2 3.54Å; M579-L616 HydrophobicContact SD-CD2 3.55Å; M579-L616 VanDerWaalsContact SD-CD2 3.55Å; M579-F621 HydrophobicContact CE-CB 4.31Å; M579-F621 HydrophobicContact CE-CD1 4.07Å; M579-F621 HydrophobicContact CE-CD2 3.15Å; M579-F621 HydrophobicContact CE-CE1 4.09Å; M579-F621 HydrophobicContact CE-CE2 3.16Å; M579-F621 HydrophobicContact CE-CG 3.6Å; M579-F621 HydrophobicContact CE-CZ 3.64Å; M579-F621 HydrophobicContact SD-CD2 4.28Å; M579-F621 HydrophobicContact SD-CE2 3.77Å; M579-F621 HydrophobicContact SD-CZ 4.21Å
580S94.8Very high95Very high47 Ų4745.4 Ų45.433%0.32923%0.229SC..Hα-helixtrans-66-46.5176.4-55.20000110.4R577 F582 L583 E584R577-S580 PolarHBondContact O-N 3.36Å; R577-S580 VanDerWaalsContact O-N 3.08Å; S580-F582 VanDerWaalsContact C-N 3.29Å; S580-F582 PolarHBondContact O-N 3.25Å; S580-L583 PolarHBondContact O-N 3.02Å; S580-L583 VanDerWaalsContact O-N 3.16Å; S580-E584 VanDerWaalsContact O-CG 3.31Å; S580-E584 WeakPolarHBondContact O-CG 3.28Å; S580-E584 PolarHBondContact O-N 3.13Å
581L96.7Very high94.5Very high3 Ų352.1 Ų52.12%0.01627%0.265CS..Hα-helixtrans-61.3-38.3178.4-69.1172.8000112.2L536 Q540 L543 W556 R577 G578 C585L536-L581 HydrophobicContact CB-CD1 4.08Å; L536-L581 HydrophobicContact CD2-CD1 3.95Å; Q540-L581 HydrophobicContact CB-CD1 4.27Å; Q540-L581 HydrophobicContact CB-CD2 3.75Å; Q540-L581 HydrophobicContact CG-CD2 3.93Å; L543-L581 HydrophobicContact CD2-CD2 4.1Å; W556-L581 HydrophobicContact CZ2-CB 4.45Å; R577-L581 PolarHBondContact O-N 3.01Å; G578-L581 PolarHBondContact O-N 2.96Å; L581-C585 VanDerWaalsContact O-CB 3.25Å; L581-C585 WeakPolarHBondContact O-CB 3.34Å; L581-C585 PolarHBondContact O-N 3.28Å; L581-C585 PolarHBondContact O-SG 3.35Å; L581-C585 VanDerWaalsContact O-SG 3.33Å
582F95.7Very high94.2Very high0 Ų053.7 Ų53.70%027%0.271CS..Hα-helixtrans-56.3-51.6172.7169.6-96.6000112.2W556 G578 S580 C585 L586 M599 L600 L603 F621 V624 F625W556-F582 HydrophobicContact CH2-CB 4.23Å; G578-F582 PolarHBondContact O-N 3.36Å; S580-F582 VanDerWaalsContact C-N 3.29Å; S580-F582 PolarHBondContact O-N 3.25Å; F582-C585 PolarHBondContact O-N 2.89Å; F582-L586 PolarHBondContact O-N 3.49Å; F582-M599 HydrophobicContact CD2-CB 3.71Å; F582-M599 HydrophobicContact CD2-CE 4.32Å; F582-M599 HydrophobicContact CD2-CG 4.2Å; F582-M599 HydrophobicContact CD2-SD 3.87Å; F582-M599 HydrophobicContact CE2-CB 3.73Å; F582-M599 HydrophobicContact CE2-CE 4.28Å; F582-M599 HydrophobicContact CE2-SD 4.39Å; F582-L600 HydrophobicContact CE2-CD2 4.18Å; F582-L600 HydrophobicContact CZ-CD2 3.98Å; F582-L603 HydrophobicContact CD1-CD1 3.86Å; F582-L603 HydrophobicContact CD2-CD1 3.46Å; F582-L603 VanDerWaalsContact CD2-CD1 3.46Å; F582-L603 HydrophobicContact CE1-CD1 3.84Å; F582-L603 HydrophobicContact CE2-CD1 3.42Å; F582-L603 VanDerWaalsContact CE2-CD1 3.42Å; F582-L603 HydrophobicContact CG-CD1 3.69Å; F582-L603 HydrophobicContact CZ-CD1 3.62Å; F582-F621 HydrophobicContact CD1-CD2 4.49Å; F582-F621 HydrophobicContact CD1-CE2 4.11Å; F582-F621 HydrophobicContact CE1-CD2 4.49Å; F582-F621 HydrophobicContact CE1-CE2 4.07Å; F582-V624 HydrophobicContact CE1-CG1 4.35Å; F582-F625 AromaticContact CE1-CE2 3.72Å; F582-F625 HydrophobicContact CE1-CE2 3.72Å; F582-F625 HydrophobicContact CE1-CZ 4.43Å; F582-F625 AromaticContact CZ-CE2 3.76Å; F582-F625 HydrophobicContact CZ-CE2 3.76Å; F582-F625 HydrophobicContact CZ-CZ 4.07Å
583L94.5Very high93.7Very high25 Ų2553.5 Ų53.513%0.13127%0.269CS..Hα-helixtrans-64.5-44.9-177.8-67.6169.6000111.4M579 S580 L586 E587 Q620 V624M579-L583 WeakPolarHBondContact O-CG 3.42Å; M579-L583 PolarHBondContact O-N 2.52Å; S580-L583 PolarHBondContact O-N 3.02Å; S580-L583 VanDerWaalsContact O-N 3.16Å; L583-L586 PolarHBondContact O-N 3.45Å; L583-E587 PolarHBondContact O-N 2.92Å; L583-E587 VanDerWaalsContact O-N 3.08Å; L583-Q620 HydrophobicContact CD1-CG 4.1Å; L583-V624 HydrophobicContact CD2-CB 4.29Å; L583-V624 HydrophobicContact CD2-CG1 4.36Å; L583-V624 HydrophobicContact CD2-CG2 3.87Å
584E96.2Very high93.1Very high79 Ų7957.9 Ų57.937%0.36929%0.29SS..Hα-helixtrans-64.4-39.1178.2-64.2168-144.400111.4L543 R577 S580 E587 E588L543-E584 HydrophobicContact CD2-CB 3.55Å; L543-E584 WeakPolarHBondContact CD2-OE2 3.28Å; R577-E584 IonicContact NH2-OE1 3.12Å; S580-E584 VanDerWaalsContact O-CG 3.31Å; S580-E584 WeakPolarHBondContact O-CG 3.28Å; S580-E584 PolarHBondContact O-N 3.13Å; E584-E587 PolarHBondContact O-N 3.48Å; E584-E588 WeakPolarHBondContact O-CB 3.28Å; E584-E588 PolarHBondContact O-N 3.05Å
585C96.3Very high92.9Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-65.5-41174.7-80.20000112.9L581 F582 E587 F589 M599L581-C585 VanDerWaalsContact O-CB 3.25Å; L581-C585 WeakPolarHBondContact O-CB 3.34Å; L581-C585 PolarHBondContact O-N 3.28Å; L581-C585 PolarHBondContact O-SG 3.35Å; L581-C585 VanDerWaalsContact O-SG 3.33Å; F582-C585 PolarHBondContact O-N 2.89Å; C585-E587 VanDerWaalsContact C-N 3.3Å; C585-E587 PolarHBondContact O-N 3.36Å; C585-F589 HydrophobicContact CB-CD2 4.44Å; C585-F589 WeakPolarHBondContact O-CB 3.38Å; C585-F589 PolarHBondContact O-N 3.31Å; C585-M599 HydrophobicContact CB-CE 4.21Å; C585-M599 HydrophobicContact CB-SD 3.65Å
586L92.1Very high92.7Very high29 Ų2952 Ų5215%0.15226%0.258CS..Hα-helixtrans-65.2-36.9178.2-169.375.8000111.7F582 L583 V624 L628F582-L586 PolarHBondContact O-N 3.49Å; L583-L586 PolarHBondContact O-N 3.45Å; L586-V624 HydrophobicContact CD2-CG1 3.29Å; L586-L628 HydrophobicContact CD1-CD2 4.43Å; L586-L628 HydrophobicContact CD2-CD1 4.26Å; L586-L628 HydrophobicContact CD2-CD2 4.49Å
587E93.3Very high92.3Very high167 Ų16751.1 Ų51.178%0.7825%0.248SC*.Hα-helixtrans-70.6-45.3176.7-175.3174.8-169.900112.2L583 E584 C585L583-E587 PolarHBondContact O-N 2.92Å; L583-E587 VanDerWaalsContact O-N 3.08Å; E584-E587 PolarHBondContact O-N 3.48Å; C585-E587 VanDerWaalsContact C-N 3.3Å; C585-E587 PolarHBondContact O-N 3.36Å
588E96.1Very high92.3Very high77 Ų7745.3 Ų45.336%0.3623%0.227SC..Hα-helixtrans-75.4-31.2-177.6-172.867.9-157.500112.7L543 R546 E584 P590L543-E588 HydrophobicContact CD1-CB 3.84Å; L543-E588 HydrophobicContact CD1-CG 4.12Å; R546-E588 VanDerWaalsContact CD-OE1 3.28Å; R546-E588 WeakPolarHBondContact CD-OE1 3.4Å; R546-E588 WeakPolarHBondContact CG-OE1 3.41Å; R546-E588 IonicContact NE-OE1 3.28Å; E584-E588 WeakPolarHBondContact O-CB 3.28Å; E584-E588 PolarHBondContact O-N 3.05Å; E588-P590 WeakPolarHBondContact O-CD 3.45Å
589F94.4Very high92.2Very high16 Ų1645.3 Ų45.37%0.0723%0.227CC..  trans-123.151.9-171.6-54.3-59.6000115.1L543 C548 M552 C585 D591 K592 L595 H596L543-F589 HydrophobicContact CD1-CD2 4.43Å; L543-F589 HydrophobicContact CD1-CE2 3.73Å; L543-F589 HydrophobicContact CD1-CZ 4.37Å; C548-F589 HydrophobicContact CB-CD1 3.78Å; C548-F589 HydrophobicContact CB-CD2 4.3Å; C548-F589 HydrophobicContact CB-CE1 3.8Å; C548-F589 HydrophobicContact CB-CE2 4.32Å; C548-F589 HydrophobicContact CB-CG 4.05Å; C548-F589 HydrophobicContact CB-CZ 4.07Å; M552-F589 HydrophobicContact CE-CE2 3.71Å; M552-F589 HydrophobicContact CE-CZ 4.33Å; M552-F589 HydrophobicContact SD-CD2 4.04Å; M552-F589 HydrophobicContact SD-CE2 3.63Å; M552-F589 HydrophobicContact SD-CZ 4.33Å; C585-F589 HydrophobicContact CB-CD2 4.44Å; C585-F589 WeakPolarHBondContact O-CB 3.38Å; C585-F589 PolarHBondContact O-N 3.31Å; F589-D591 PolarHBondContact O-N 3.45Å; F589-K592 HydrophobicContact CB-CB 4.12Å; F589-K592 HydrophobicContact CB-CG 3.82Å; F589-K592 PolarHBondContact O-N 3.29Å; F589-L595 HydrophobicContact CB-CD2 4.02Å; F589-L595 HydrophobicContact CD2-CD2 3.92Å; F589-L595 HydrophobicContact CG-CD2 4.3Å; F589-H596 PolarHBondContact O-CE1 3.06Å; F589-H596 PolarHBondContact O-NE2 3.17Å
590P88.6Confident92.1Very high72 Ų7244.1 Ų44.147%0.46822%0.221SC..THydrogen-bonded Turntrans-62.4-21-170.426.7-36.7000115E588 Q593 H596E588-P590 WeakPolarHBondContact O-CD 3.45Å; P590-Q593 PolarHBondContact O-NE2 2.95Å; P590-H596 PolarHBondContact O-CE1 3.17Å
591D87.4Confident91.9Very high141 Ų14142 Ų4275%0.75421%0.207SC*.THydrogen-bonded Turntrans-94.40-178.3-61.7-45.3000113.6F589 Q593F589-D591 PolarHBondContact O-N 3.45Å; D591-Q593 PolarHBondContact O-N 3.03Å
592K89.6Confident91.8Very high87 Ų8741.9 Ų41.938%0.37821%0.206SC..  trans-9479.8-174-62.6-64.8-1731690112.1C548 F589 E594 L595 H596C548-K592 HydrophobicContact CB-CD 4.45Å; C548-K592 HydrophobicContact CB-CG 4.22Å; F589-K592 HydrophobicContact CB-CB 4.12Å; F589-K592 HydrophobicContact CB-CG 3.82Å; F589-K592 PolarHBondContact O-N 3.29Å; K592-E594 PolarHBondContact O-N 3.27Å; K592-L595 HydrophobicContact CB-CB 3.9Å; K592-L595 HydrophobicContact CB-CD2 4.25Å; K592-L595 WeakPolarHBondContact O-CB 3.32Å; K592-L595 PolarHBondContact O-N 3.37Å; K592-H596 PolarHBondContact O-CD2 3.32Å; K592-H596 VanDerWaalsContact O-CD2 3.3Å; K592-H596 VanDerWaalsContact O-CG 3.29Å; K592-H596 PolarHBondContact O-N 2.72Å
593Q85.4Confident91.8Very high48 Ų4841.9 Ų41.922%0.22421%0.206CC..Hα-helixtrans-64.4-37.2-172.6-53.8-48.7-3500114.8P590 D591 H596 R597 A633 D634P590-Q593 PolarHBondContact O-NE2 2.95Å; D591-Q593 PolarHBondContact O-N 3.03Å; Q593-H596 PolarHBondContact O-N 3.27Å; Q593-R597 WeakPolarHBondContact O-CB 3.44Å; Q593-R597 PolarHBondContact O-N 3.38Å; Q593-A633 HydrophobicContact CG-CB 4.08Å; Q593-D634 HydrophobicContact CB-CB 4.05Å; Q593-D634 HydrophobicContact CG-CB 4.5Å
594E85.9Confident91.8Very high92 Ų9241.4 Ų41.443%0.4321%0.207SC..Hα-helixtrans-64.5-41.1176.6173.8152.3-154.400112.2K592 R597 N598K592-E594 PolarHBondContact O-N 3.27Å; E594-R597 PolarHBondContact O-N 2.83Å; E594-R597 IonicContact OE1-NH2 2.74Å; E594-R597 PolarHBondContact OE1-NH2 2.96Å; E594-N598 PolarHBondContact O-N 3.42Å; E594-N598 VanDerWaalsContact O-N 3.11Å
595L92.1Very high91.6Very high0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-59.3-49.3172.1178.668.5000110.8M552 W556 F589 K592 R597 N598 M599M552-L595 HydrophobicContact CG-CD1 3.83Å; M552-L595 HydrophobicContact SD-CD1 4.21Å; M552-L595 HydrophobicContact SD-CD2 4.04Å; W556-L595 HydrophobicContact CB-CD1 4.44Å; W556-L595 HydrophobicContact CG-CD1 3.98Å; F589-L595 HydrophobicContact CB-CD2 4.02Å; F589-L595 HydrophobicContact CD2-CD2 3.92Å; F589-L595 HydrophobicContact CG-CD2 4.3Å; K592-L595 HydrophobicContact CB-CB 3.9Å; K592-L595 HydrophobicContact CB-CD2 4.25Å; K592-L595 WeakPolarHBondContact O-CB 3.32Å; K592-L595 PolarHBondContact O-N 3.37Å; L595-R597 VanDerWaalsContact C-N 3.32Å; L595-R597 PolarHBondContact O-N 3.45Å; L595-N598 PolarHBondContact O-N 3.07Å; L595-M599 HydrophobicContact CD1-CG 4.43Å; L595-M599 HydrophobicContact CD2-CE 4.37Å; L595-M599 HydrophobicContact CG-CE 4.01Å; L595-M599 HydrophobicContact CG-CG 4.49Å; L595-M599 HydrophobicContact CG-SD 4.28Å; L595-M599 WeakPolarHBondContact O-CB 3.21Å; L595-M599 WeakPolarHBondContact O-CG 3.44Å; L595-M599 PolarHBondContact O-N 3.04Å
596H90.4Very high91.6Very high9 Ų938.2 Ų38.24%0.04219%0.193CC..Hα-helixtrans-58.2-44.2179.2-64.8176.8000112F589 P590 K592 Q593 N598 M599 L600 V638F589-H596 PolarHBondContact O-CE1 3.06Å; F589-H596 PolarHBondContact O-NE2 3.17Å; P590-H596 PolarHBondContact O-CE1 3.17Å; K592-H596 PolarHBondContact O-CD2 3.32Å; K592-H596 VanDerWaalsContact O-CD2 3.3Å; K592-H596 VanDerWaalsContact O-CG 3.29Å; K592-H596 PolarHBondContact O-N 2.72Å; Q593-H596 PolarHBondContact O-N 3.27Å; H596-N598 PolarHBondContact O-N 3.42Å; H596-M599 PolarHBondContact O-N 3.17Å; H596-L600 WeakPolarHBondContact O-CB 3.47Å; H596-L600 WeakPolarHBondContact O-CG 3.44Å; H596-L600 PolarHBondContact O-N 3.2Å; H596-V638 HydrophobicContact CB-CG2 4.42Å
597R86.7Confident91.8Very high25 Ų2536.9 Ų36.99%0.09419%0.186CC..Hα-helixtrans-58.4-49.1176.6-176.4-179.963.7-136.20.2111.5Q593 E594 L595 M599 L600 G601 D634Q593-R597 WeakPolarHBondContact O-CB 3.44Å; Q593-R597 PolarHBondContact O-N 3.38Å; E594-R597 PolarHBondContact O-N 2.83Å; E594-R597 IonicContact OE1-NH2 2.74Å; E594-R597 PolarHBondContact OE1-NH2 2.96Å; L595-R597 VanDerWaalsContact C-N 3.32Å; L595-R597 PolarHBondContact O-N 3.45Å; R597-M599 PolarHBondContact O-N 3.24Å; R597-L600 PolarHBondContact O-N 3.24Å; R597-G601 PolarHBondContact O-N 3.5Å; R597-D634 IonicContact NH1-OD2 2.72Å; R597-D634 PolarHBondContact NH1-OD2 3.05Å; R597-D634 VanDerWaalsContact NH1-OD2 3.12Å
598N91.8Very high91.8Very high8 Ų831 Ų314%0.04316%0.158CC..Hα-helixtrans-63-42.7179.9-66.7-16000111.9E553 W556 E594 L595 H596 L602E553-N598 PolarHBondContact O-ND2 3.32Å; W556-N598 HydrophobicContact CB-CB 3.95Å; E594-N598 PolarHBondContact O-N 3.42Å; E594-N598 VanDerWaalsContact O-N 3.11Å; L595-N598 PolarHBondContact O-N 3.07Å; H596-N598 PolarHBondContact O-N 3.42Å; N598-L602 PolarHBondContact O-N 3.01Å
599M94.9Very high91.8Very high0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-63.1-44.2177.2-77.6-165.2-52.600112.8W556 F582 C585 L595 H596 R597 L603W556-M599 HydrophobicContact CD2-CG 3.46Å; W556-M599 VanDerWaalsContact CD2-CG 3.46Å; W556-M599 HydrophobicContact CD2-SD 4.27Å; W556-M599 HydrophobicContact CE3-CB 4.49Å; W556-M599 HydrophobicContact CE3-CG 3.72Å; W556-M599 HydrophobicContact CG-CG 3.86Å; W556-M599 HydrophobicContact CH2-CG 4.2Å; W556-M599 HydrophobicContact CH2-SD 4.28Å; W556-M599 HydrophobicContact CZ2-CG 3.96Å; W556-M599 HydrophobicContact CZ2-SD 3.74Å; W556-M599 HydrophobicContact CZ3-CG 4.07Å; F582-M599 HydrophobicContact CD2-CB 3.71Å; F582-M599 HydrophobicContact CD2-CE 4.32Å; F582-M599 HydrophobicContact CD2-CG 4.2Å; F582-M599 HydrophobicContact CD2-SD 3.87Å; F582-M599 HydrophobicContact CE2-CB 3.73Å; F582-M599 HydrophobicContact CE2-CE 4.28Å; F582-M599 HydrophobicContact CE2-SD 4.39Å; C585-M599 HydrophobicContact CB-CE 4.21Å; C585-M599 HydrophobicContact CB-SD 3.65Å; L595-M599 HydrophobicContact CD1-CG 4.43Å; L595-M599 HydrophobicContact CD2-CE 4.37Å; L595-M599 HydrophobicContact CG-CE 4.01Å; L595-M599 HydrophobicContact CG-CG 4.49Å; L595-M599 HydrophobicContact CG-SD 4.28Å; L595-M599 WeakPolarHBondContact O-CB 3.21Å; L595-M599 WeakPolarHBondContact O-CG 3.44Å; L595-M599 PolarHBondContact O-N 3.04Å; H596-M599 PolarHBondContact O-N 3.17Å; R597-M599 PolarHBondContact O-N 3.24Å; M599-L603 PolarHBondContact O-N 3.24Å
600L91.6Very high91.7Very high2 Ų234.9 Ų34.91%0.0118%0.176CC..Hα-helixtrans-70.9-38179.8-70.3169.5000112F582 H596 R597 L602 L603 G604 F625 L628 V638 N641F582-L600 HydrophobicContact CE2-CD2 4.18Å; F582-L600 HydrophobicContact CZ-CD2 3.98Å; H596-L600 WeakPolarHBondContact O-CB 3.47Å; H596-L600 WeakPolarHBondContact O-CG 3.44Å; H596-L600 PolarHBondContact O-N 3.2Å; R597-L600 PolarHBondContact O-N 3.24Å; L600-L602 VanDerWaalsContact C-N 3.33Å; L600-L602 PolarHBondContact O-N 3.14Å; L600-L603 PolarHBondContact O-N 3.39Å; L600-G604 PolarHBondContact O-N 3.21Å; L600-F625 HydrophobicContact CD2-CE1 3.57Å; L600-F625 HydrophobicContact CD2-CE2 4.32Å; L600-F625 HydrophobicContact CD2-CZ 3.46Å; L600-F625 VanDerWaalsContact CD2-CZ 3.46Å; L600-L628 HydrophobicContact CD1-CD1 4.47Å; L600-L628 HydrophobicContact CD2-CD1 3.95Å; L600-V638 HydrophobicContact CD1-CB 4.32Å; L600-V638 HydrophobicContact CD1-CG1 3.84Å; L600-N641 HydrophobicContact CB-CB 3.8Å; L600-N641 HydrophobicContact CD1-CB 4.4Å
601G91.3Very high92Very high3 Ų335.8 Ų35.83%0.03118%0.184CC..Hα-helixtrans-57.9-45.3173.900000112.1W560 R597 L603 G604 N605W560-G601 VanDerWaalsContact NE1-C 3.3Å; W560-G601 PolarHBondContact NE1-O 3.05Å; R597-G601 PolarHBondContact O-N 3.5Å; G601-L603 PolarHBondContact O-N 2.68Å; G601-G604 WeakPolarHBondContact O-CA 3.26Å; G601-G604 PolarHBondContact O-N 3.27Å; G601-G604 VanDerWaalsContact O-N 3.17Å; G601-N605 PolarHBondContact O-N 3.36Å; G601-N605 PolarHBondContact O-OD1 3.11Å
602L94.6Very high92.4Very high0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-57.8-47.6173.9-178.7163.5000111.9W556 L559 W560 T563 F573 N598 L600 G604 N605 V606W556-L602 HydrophobicContact CE3-CD1 3.96Å; W556-L602 HydrophobicContact CZ3-CD1 3.98Å; L559-L602 HydrophobicContact CB-CD1 3.4Å; L559-L602 HydrophobicContact CD1-CD1 4.38Å; L559-L602 HydrophobicContact CG-CD1 4.47Å; W560-L602 HydrophobicContact CB-CB 4.14Å; T563-L602 HydrophobicContact CG2-CG 4.45Å; F573-L602 HydrophobicContact CD1-CD2 3.78Å; F573-L602 HydrophobicContact CD2-CD1 4.04Å; F573-L602 HydrophobicContact CD2-CD2 3.94Å; F573-L602 HydrophobicContact CE1-CD2 3.57Å; F573-L602 HydrophobicContact CE2-CD1 3.93Å; F573-L602 HydrophobicContact CE2-CD2 3.74Å; F573-L602 HydrophobicContact CG-CD2 3.96Å; F573-L602 HydrophobicContact CZ-CD1 4.49Å; F573-L602 HydrophobicContact CZ-CD2 3.55Å; N598-L602 PolarHBondContact O-N 3.01Å; L600-L602 VanDerWaalsContact C-N 3.33Å; L600-L602 PolarHBondContact O-N 3.14Å; L602-G604 PolarHBondContact O-N 3.1Å; L602-N605 WeakPolarHBondContact O-CB 3.48Å; L602-N605 PolarHBondContact O-N 3.06Å; L602-N605 VanDerWaalsContact O-N 3.1Å; L602-V606 HydrophobicContact CD2-CG2 3.87Å; L602-V606 PolarHBondContact O-N 3.13Å; L602-V606 VanDerWaalsContact O-N 3.08Å
603L95.1Very high92.6Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-66.6-28179.6-71.8170.9000112.5F573 M579 F582 M599 L600 G601 V606 A607 L616 F621 F625 V645F573-L603 HydrophobicContact CE1-CD2 3.9Å; F573-L603 HydrophobicContact CZ-CD2 4.32Å; M579-L603 HydrophobicContact SD-CD2 3.54Å; M579-L603 VanDerWaalsContact SD-CD2 3.54Å; F582-L603 HydrophobicContact CD1-CD1 3.86Å; F582-L603 HydrophobicContact CD2-CD1 3.46Å; F582-L603 VanDerWaalsContact CD2-CD1 3.46Å; F582-L603 HydrophobicContact CE1-CD1 3.84Å; F582-L603 HydrophobicContact CE2-CD1 3.42Å; F582-L603 VanDerWaalsContact CE2-CD1 3.42Å; F582-L603 HydrophobicContact CG-CD1 3.69Å; F582-L603 HydrophobicContact CZ-CD1 3.62Å; M599-L603 PolarHBondContact O-N 3.24Å; L600-L603 PolarHBondContact O-N 3.39Å; G601-L603 PolarHBondContact O-N 2.68Å; L603-V606 PolarHBondContact O-N 3.1Å; L603-A607 WeakPolarHBondContact O-CB 3.49Å; L603-A607 PolarHBondContact O-N 3.36Å; L603-L616 HydrophobicContact CD2-CD2 4.38Å; L603-F621 HydrophobicContact CD1-CE2 3.73Å; L603-F621 HydrophobicContact CD1-CZ 3.82Å; L603-F621 HydrophobicContact CD2-CE2 4.27Å; L603-F621 HydrophobicContact CD2-CZ 4.09Å; L603-F621 HydrophobicContact CG-CZ 4.42Å; L603-F625 HydrophobicContact CB-CZ 4.16Å; L603-F625 HydrophobicContact CD1-CE2 3.87Å; L603-F625 HydrophobicContact CD1-CZ 3.57Å; L603-V645 HydrophobicContact CB-CG2 4.12Å
604G93.4Very high92.9Very high14 Ų1426.9 Ų26.914%0.14415%0.145CC..Hα-helixtrans-51.7-58.316500000110.8L600 G601 L602 V606 A607 E608L600-G604 PolarHBondContact O-N 3.21Å; G601-G604 WeakPolarHBondContact O-CA 3.26Å; G601-G604 PolarHBondContact O-N 3.27Å; G601-G604 VanDerWaalsContact O-N 3.17Å; L602-G604 PolarHBondContact O-N 3.1Å; G604-V606 VanDerWaalsContact C-N 3.27Å; G604-V606 PolarHBondContact O-N 3.17Å; G604-A607 WeakPolarHBondContact O-CB 3.41Å; G604-A607 PolarHBondContact O-N 3.46Å; G604-E608 WeakPolarHBondContact O-CG 3.24Å; G604-E608 PolarHBondContact O-N 3.21Å
605N93.8Very high93.2Very high13 Ų1326.4 Ų26.47%0.0714%0.143CC..Hα-helixtrans-57.4-38.7179.4-59.6-3000112.6W560 T563 D564 G601 L602 E608W560-N605 VanDerWaalsContact CD1-ND2 3.28Å; W560-N605 PolarHBondContact O-ND2 3.28Å; T563-N605 PolarHBondContact OG1-ND2 3.39Å; D564-N605 WeakPolarHBondContact CA-ND2 3.45Å; D564-N605 PolarHBondContact N-ND2 3.32Å; D564-N605 VanDerWaalsContact N-ND2 3.18Å; G601-N605 PolarHBondContact O-N 3.36Å; G601-N605 PolarHBondContact O-OD1 3.11Å; L602-N605 WeakPolarHBondContact O-CB 3.48Å; L602-N605 PolarHBondContact O-N 3.06Å; L602-N605 VanDerWaalsContact O-N 3.1Å; N605-E608 PolarHBondContact O-N 3.21Å
606V96.3Very high93.2Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-67.1-40.8176.5-179.10000111.2C570 F573 L574 L602 L603 G604 E608 V609 L612 L616C570-V606 HydrophobicContact CB-CG2 4.02Å; F573-V606 HydrophobicContact CD1-CG2 4.09Å; L574-V606 HydrophobicContact CD1-CG1 3.94Å; L574-V606 HydrophobicContact CD2-CG1 4.2Å; L574-V606 HydrophobicContact CG-CG1 4.2Å; L602-V606 HydrophobicContact CD2-CG2 3.87Å; L602-V606 PolarHBondContact O-N 3.13Å; L602-V606 VanDerWaalsContact O-N 3.08Å; L603-V606 PolarHBondContact O-N 3.1Å; G604-V606 VanDerWaalsContact C-N 3.27Å; G604-V606 PolarHBondContact O-N 3.17Å; V606-E608 VanDerWaalsContact C-N 3.28Å; V606-E608 PolarHBondContact O-N 3.47Å; V606-V609 PolarHBondContact O-N 3.18Å; V606-V609 VanDerWaalsContact O-N 3.17Å; V606-L612 HydrophobicContact CG1-CB 4.27Å; V606-L612 HydrophobicContact CG1-CD1 4.31Å; V606-L616 HydrophobicContact CG1-CD1 4.21Å; V606-L616 HydrophobicContact CG1-CD2 4.03Å; V606-L616 HydrophobicContact CG1-CG 4.39Å
607A95.1Very high93.3Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-68.4-26.7-18000000112.9L603 G604 V609 R613 L616 V645 H648L603-A607 WeakPolarHBondContact O-CB 3.49Å; L603-A607 PolarHBondContact O-N 3.36Å; G604-A607 WeakPolarHBondContact O-CB 3.41Å; G604-A607 PolarHBondContact O-N 3.46Å; A607-V609 PolarHBondContact O-N 2.89Å; A607-R613 WeakPolarHBondContact O-CD 3.34Å; A607-R613 WeakPolarHBondContact O-CG 3.45Å; A607-R613 PolarHBondContact O-NE 2.9Å; A607-L616 HydrophobicContact CB-CD1 3.81Å; A607-V645 HydrophobicContact CB-CB 4.42Å; A607-V645 HydrophobicContact CB-CG1 4.06Å; A607-V645 HydrophobicContact CB-CG2 4.45Å; A607-H648 HydrophobicContact CB-CB 3.87Å; A607-H648 WeakPolarHBondContact O-CB 3.41Å
608E93.7Very high93.6Very high45 Ų4528.2 Ų28.221%0.2116%0.156CC..Hα-helixtrans-63.9-24.7173-67.2176.6-172.100112.7G604 N605 V606 K610 P693G604-E608 WeakPolarHBondContact O-CG 3.24Å; G604-E608 PolarHBondContact O-N 3.21Å; N605-E608 PolarHBondContact O-N 3.21Å; V606-E608 VanDerWaalsContact C-N 3.28Å; V606-E608 PolarHBondContact O-N 3.47Å; E608-K610 PolarHBondContact O-N 2.96Å; E608-P693 HydrophobicContact CG-CB 3.79Å; E608-P693 HydrophobicContact CG-CG 4.44Å; E608-P693 WeakPolarHBondContact OE1-CB 3.31Å; E608-P693 WeakPolarHBondContact OE2-CB 3.23Å; E608-P693 WeakPolarHBondContact OE2-CG 3.26Å
609V95Very high93.6Very high21 Ų2131.1 Ų31.113%0.12718%0.176CC..  trans-84.6106.3-179.7-1710000110.8P567 C570 V606 A607 S611 L612 R613P567-V609 HydrophobicContact CB-CG1 4Å; P567-V609 HydrophobicContact CB-CG2 4.3Å; P567-V609 HydrophobicContact CG-CG1 4.46Å; P567-V609 HydrophobicContact CG-CG2 4.35Å; C570-V609 HydrophobicContact CB-CG2 4.36Å; V606-V609 PolarHBondContact O-N 3.18Å; V606-V609 VanDerWaalsContact O-N 3.17Å; A607-V609 PolarHBondContact O-N 2.89Å; V609-S611 VanDerWaalsContact C-N 3.32Å; V609-S611 PolarHBondContact O-N 2.94Å; V609-L612 HydrophobicContact CB-CB 4.16Å; V609-L612 HydrophobicContact CB-CD1 3.86Å; V609-L612 HydrophobicContact CB-CG 3.9Å; V609-L612 HydrophobicContact CG1-CB 4.32Å; V609-L612 HydrophobicContact CG1-CD1 3.87Å; V609-L612 HydrophobicContact CG1-CG 3.64Å; V609-L612 HydrophobicContact CG2-CD1 4.23Å; V609-L612 PolarHBondContact O-N 3.47Å; V609-R613 PolarHBondContact O-N 3.36Å
610K92.7Very high93.4Very high152 Ų15237.1 Ų37.166%0.66120%0.204SC*.THydrogen-bonded Turntrans-51.8-42.2-176.9173.2166.6-175.1-178.70114.9E608 L612 R613E608-K610 PolarHBondContact O-N 2.96Å; K610-L612 PolarHBondContact O-N 3.5Å; K610-R613 VanDerWaalsContact CG-NH2 3.28Å
611S94.9Very high93.4Very high91 Ų9137 Ų3764%0.63620%0.203SC*.THydrogen-bonded Turntrans-70.6-18.7-179.348.50000113.6V609V609-S611 VanDerWaalsContact C-N 3.32Å; V609-S611 PolarHBondContact O-N 2.94Å
612L95.4Very high93.6Very high3 Ų336.9 Ų36.92%0.01620%0.202CC..THydrogen-bonded Turntrans-96.4-25.6-176.3-57.3-172.9000113.2C570 Q571 L574 V606 V609 K610 P614 Q615C570-L612 HydrophobicContact CB-CD1 3.4Å; Q571-L612 HydrophobicContact CB-CD1 4.29Å; Q571-L612 HydrophobicContact CB-CD2 4.04Å; Q571-L612 HydrophobicContact CG-CD2 4.26Å; L574-L612 HydrophobicContact CD1-CB 3.98Å; L574-L612 HydrophobicContact CD1-CD1 4.22Å; L574-L612 HydrophobicContact CD1-CD2 4.24Å; L574-L612 HydrophobicContact CD1-CG 4.37Å; V606-L612 HydrophobicContact CG1-CB 4.27Å; V606-L612 HydrophobicContact CG1-CD1 4.31Å; V609-L612 HydrophobicContact CB-CB 4.16Å; V609-L612 HydrophobicContact CB-CD1 3.86Å; V609-L612 HydrophobicContact CB-CG 3.9Å; V609-L612 HydrophobicContact CG1-CB 4.32Å; V609-L612 HydrophobicContact CG1-CD1 3.87Å; V609-L612 HydrophobicContact CG1-CG 3.64Å; V609-L612 HydrophobicContact CG2-CD1 4.23Å; V609-L612 PolarHBondContact O-N 3.47Å; K610-L612 PolarHBondContact O-N 3.5Å; L612-P614 VanDerWaalsContact C-N 3.31Å; L612-P614 VanDerWaalsContact O-N 3.16Å; L612-Q615 WeakPolarHBondContact O-CB 3.09Å; L612-Q615 PolarHBondContact O-N 3.24Å
613R94.2Very high93.6Very high12 Ų1239.7 Ų39.75%0.04522%0.219CC..Hα-helixtrans-48.3-39.7179.2-80.9-173.2-83.5147.222.7115.2A607 V609 K610 Q615 L616 L617 H648 D652A607-R613 WeakPolarHBondContact O-CD 3.34Å; A607-R613 WeakPolarHBondContact O-CG 3.45Å; A607-R613 PolarHBondContact O-NE 2.9Å; V609-R613 PolarHBondContact O-N 3.36Å; K610-R613 VanDerWaalsContact CG-NH2 3.28Å; R613-Q615 PolarHBondContact O-N 3.09Å; R613-Q615 VanDerWaalsContact O-N 3.16Å; R613-L616 WeakPolarHBondContact O-CB 3.1Å; R613-L616 PolarHBondContact O-N 3.08Å; R613-L617 PolarHBondContact O-N 3.43Å; R613-H648 VanDerWaalsContact CD-O 3.26Å; R613-H648 WeakPolarHBondContact CD-O 3.23Å; R613-H648 PolarHBondContact NH1-O 2.89Å; R613-D652 IonicContact CZ-OD1 2.69Å; R613-D652 IonicContact CZ-OD2 3.9Å; R613-D652 IonicContact NE-OD2 3.87Å; R613-D652 PolarHBondContact NE-OD2 3.33Å; R613-D652 IonicContact NH1-OD1 3.05Å; R613-D652 PolarHBondContact NH1-OD1 3.41Å; R613-D652 IonicContact NH1-OD2 2.75Å; R613-D652 PolarHBondContact NH1-OD2 3.1Å; R613-D652 VanDerWaalsContact NH2-CG 3.31Å; R613-D652 IonicContact NH2-OD1 3.9Å; R613-D652 PolarHBondContact NH2-OD1 2.91Å; R613-D652 IonicContact NH2-OD2 2.93Å; R613-D652 PolarHBondContact NH2-OD2 2.89Å
614P92.2Very high93.5Very high74 Ų7441.1 Ų41.148%0.48123%0.228SC..Hα-helixtrans-57.7-28.5175.3-27.336.4000114.2L612 L616 L617L612-P614 VanDerWaalsContact C-N 3.31Å; L612-P614 VanDerWaalsContact O-N 3.16Å; P614-L616 VanDerWaalsContact C-N 3.33Å; P614-L617 PolarHBondContact O-N 3.07Å
615Q92.4Very high93.5Very high83 Ų8340.5 Ų40.539%0.38822%0.221SC..Hα-helixtrans-76.2-20.6177.2-60.6175.554.600112.5Q571 L574 L612 R613Q571-Q615 VanDerWaalsContact OE1-NE2 3.15Å; L574-Q615 HydrophobicContact CD1-CB 4.06Å; L612-Q615 WeakPolarHBondContact O-CB 3.09Å; L612-Q615 PolarHBondContact O-N 3.24Å; R613-Q615 PolarHBondContact O-N 3.09Å; R613-Q615 VanDerWaalsContact O-N 3.16Å
616L91.9Very high93.6Very high0 Ų040 Ų400%022%0.218CC..Hα-helixtrans-81.8-21.3174-57.3-178.4000112.2L574 M579 L603 V606 A607 R613 P614 T618 F621 I649L574-L616 HydrophobicContact CD2-CD2 4.18Å; M579-L616 HydrophobicContact CE-CD2 3.54Å; M579-L616 HydrophobicContact SD-CD2 3.55Å; M579-L616 VanDerWaalsContact SD-CD2 3.55Å; L603-L616 HydrophobicContact CD2-CD2 4.38Å; V606-L616 HydrophobicContact CG1-CD1 4.21Å; V606-L616 HydrophobicContact CG1-CD2 4.03Å; V606-L616 HydrophobicContact CG1-CG 4.39Å; A607-L616 HydrophobicContact CB-CD1 3.81Å; R613-L616 WeakPolarHBondContact O-CB 3.1Å; R613-L616 PolarHBondContact O-N 3.08Å; P614-L616 VanDerWaalsContact C-N 3.33Å; L616-T618 VanDerWaalsContact C-N 3.3Å; L616-T618 PolarHBondContact O-N 3.13Å; L616-F621 HydrophobicContact CB-CD1 4.28Å; L616-F621 HydrophobicContact CB-CE1 3.97Å; L616-F621 HydrophobicContact CD2-CE1 4.31Å; L616-F621 HydrophobicContact CD2-CZ 4.21Å; L616-F621 WeakPolarHBondContact O-CD1 3.35Å; L616-I649 HydrophobicContact CB-CD1 4.01Å; L616-I649 HydrophobicContact CD1-CD1 4.41Å
617L92.4Very high93.4Very high17 Ų1744.1 Ų44.19%0.08924%0.241CC..  trans-78.975.8-175.1-168.374.8000111.3R613 P614 I622 I649 V656 W657 M659R613-L617 PolarHBondContact O-N 3.43Å; P614-L617 PolarHBondContact O-N 3.07Å; L617-I622 HydrophobicContact CD1-CD1 4.32Å; L617-I622 HydrophobicContact CD1-CG1 4.25Å; L617-I649 HydrophobicContact CD1-CG2 3.85Å; L617-V656 WeakPolarHBondContact CD2-O 3.48Å; L617-W657 HydrophobicContact CD1-CD2 4.04Å; L617-W657 HydrophobicContact CD1-CE3 3.64Å; L617-W657 HydrophobicContact CD1-CH2 4.26Å; L617-W657 HydrophobicContact CD1-CZ3 3.76Å; L617-M659 VanDerWaalsContact C-SD 3.52Å; L617-M659 HydrophobicContact CD1-CE 3.39Å; L617-M659 HydrophobicContact CG-CE 3.51Å; L617-M659 HydrophobicContact CG-CG 4.39Å; L617-M659 HydrophobicContact CG-SD 4.07Å; L617-M659 VanDerWaalsContact O-SD 3.34Å
618T91.9Very high93.3Very high54 Ų5445.2 Ų45.233%0.33125%0.246SC..  trans-124.6149.3174.269.10000111.3L616 Q620 F621 I622 M659L616-T618 VanDerWaalsContact C-N 3.3Å; L616-T618 PolarHBondContact O-N 3.13Å; T618-Q620 VanDerWaalsContact C-N 3.29Å; T618-Q620 PolarHBondContact O-N 3.02Å; T618-F621 PolarHBondContact O-N 3.37Å; T618-F621 WeakPolarHBondContact OG1-CB 3.43Å; T618-F621 PolarHBondContact OG1-N 3.19Å; T618-I622 WeakPolarHBondContact O-CG1 3.37Å; T618-I622 PolarHBondContact O-N 2.98Å; T618-M659 WeakPolarHBondContact CA-SD 3.33Å
619P92.4Very high93.3Very high70 Ų7043.2 Ų43.246%0.45524%0.237SC..Hα-helixtrans-58.9-41.5-175-28.837.4000112.6T623 M659 E661P619-T623 VanDerWaalsContact O-CB 3.26Å; P619-T623 WeakPolarHBondContact O-CB 3.38Å; P619-T623 PolarHBondContact O-N 3.33Å; P619-T623 PolarHBondContact O-OG1 3.37Å; P619-M659 HydrophobicContact CB-SD 4.49Å; P619-M659 WeakPolarHBondContact CD-SD 3.48Å; P619-M659 HydrophobicContact CG-CG 4.39Å; P619-M659 HydrophobicContact CG-SD 3.77Å; P619-E661 WeakPolarHBondContact CB-O 3.4Å
620Q91.8Very high93Very high126 Ų12648.7 Ų48.759%0.58926%0.261SS*.Hα-helixtrans-62.5-48.9178.2-174.3178.212.600111.4L583 T618 T623 V624L583-Q620 HydrophobicContact CD1-CG 4.1Å; T618-Q620 VanDerWaalsContact C-N 3.29Å; T618-Q620 PolarHBondContact O-N 3.02Å; Q620-T623 PolarHBondContact O-N 3Å; Q620-V624 WeakPolarHBondContact O-CG2 3.15Å; Q620-V624 PolarHBondContact O-N 2.89Å
621F91.8Very high92.7Very high0 Ų042.9 Ų42.90%024%0.24CC..Hα-helixtrans-66.7-47-176.6-172.9-101.4000112.2M579 F582 L603 L616 T618 T623 V624 F625 V645M579-F621 HydrophobicContact CE-CB 4.31Å; M579-F621 HydrophobicContact CE-CD1 4.07Å; M579-F621 HydrophobicContact CE-CD2 3.15Å; M579-F621 HydrophobicContact CE-CE1 4.09Å; M579-F621 HydrophobicContact CE-CE2 3.16Å; M579-F621 HydrophobicContact CE-CG 3.6Å; M579-F621 HydrophobicContact CE-CZ 3.64Å; M579-F621 HydrophobicContact SD-CD2 4.28Å; M579-F621 HydrophobicContact SD-CE2 3.77Å; M579-F621 HydrophobicContact SD-CZ 4.21Å; F582-F621 HydrophobicContact CD1-CD2 4.49Å; F582-F621 HydrophobicContact CD1-CE2 4.11Å; F582-F621 HydrophobicContact CE1-CD2 4.49Å; F582-F621 HydrophobicContact CE1-CE2 4.07Å; L603-F621 HydrophobicContact CD1-CE2 3.73Å; L603-F621 HydrophobicContact CD1-CZ 3.82Å; L603-F621 HydrophobicContact CD2-CE2 4.27Å; L603-F621 HydrophobicContact CD2-CZ 4.09Å; L603-F621 HydrophobicContact CG-CZ 4.42Å; L616-F621 HydrophobicContact CB-CD1 4.28Å; L616-F621 HydrophobicContact CB-CE1 3.97Å; L616-F621 HydrophobicContact CD2-CE1 4.31Å; L616-F621 HydrophobicContact CD2-CZ 4.21Å; L616-F621 WeakPolarHBondContact O-CD1 3.35Å; T618-F621 PolarHBondContact O-N 3.37Å; T618-F621 WeakPolarHBondContact OG1-CB 3.43Å; T618-F621 PolarHBondContact OG1-N 3.19Å; F621-T623 VanDerWaalsContact C-N 3.3Å; F621-T623 PolarHBondContact O-N 3.38Å; F621-V624 PolarHBondContact O-N 2.69Å; F621-F625 AromaticContact CD1-CD2 3.97Å; F621-F625 HydrophobicContact CD1-CD2 3.97Å; F621-F625 HydrophobicContact CD1-CE2 4.27Å; F621-F625 HydrophobicContact CD2-CD2 4.07Å; F621-F625 AromaticContact CD2-CE2 3.9Å; F621-F625 HydrophobicContact CD2-CE2 3.9Å; F621-F625 AromaticContact CE1-CD2 3.66Å; F621-F625 HydrophobicContact CE1-CD2 3.66Å; F621-F625 AromaticContact CE1-CE2 3.62Å; F621-F625 HydrophobicContact CE1-CE2 3.62Å; F621-F625 HydrophobicContact CE1-CG 4.33Å; F621-F625 HydrophobicContact CE1-CZ 4.22Å; F621-F625 AromaticContact CE2-CD2 3.79Å; F621-F625 HydrophobicContact CE2-CD2 3.79Å; F621-F625 AromaticContact CE2-CE2 3.19Å; F621-F625 HydrophobicContact CE2-CE2 3.19Å; F621-F625 HydrophobicContact CE2-CZ 4.06Å; F621-F625 HydrophobicContact CG-CD2 4.19Å; F621-F625 HydrophobicContact CG-CE2 4.41Å; F621-F625 AromaticContact CZ-CD2 3.6Å; F621-F625 HydrophobicContact CZ-CD2 3.6Å; F621-F625 AromaticContact CZ-CE2 3.04Å; F621-F625 HydrophobicContact CZ-CE2 3.04Å; F621-F625 AromaticContact CZ-CZ 3.58Å; F621-F625 HydrophobicContact CZ-CZ 3.58Å; F621-F625 WeakPolarHBondContact O-CD2 3.42Å; F621-F625 PolarHBondContact O-N 2.97Å; F621-V645 HydrophobicContact CE1-CG1 4.22Å
622I95.1Very high92Very high0 Ų047.8 Ų47.80%025%0.25CC..Hα-helixtrans-63.7-38.5177.9-61.2-52.9000111.2L617 T618 V624 F625 S626 L646 I649 W657 M659 P662 V667L617-I622 HydrophobicContact CD1-CD1 4.32Å; L617-I622 HydrophobicContact CD1-CG1 4.25Å; T618-I622 WeakPolarHBondContact O-CG1 3.37Å; T618-I622 PolarHBondContact O-N 2.98Å; I622-V624 PolarHBondContact O-N 3.28Å; I622-F625 PolarHBondContact O-N 3.24Å; I622-S626 WeakPolarHBondContact O-CB 3.47Å; I622-S626 PolarHBondContact O-N 3.16Å; I622-L646 HydrophobicContact CD1-CD2 3.99Å; I622-L646 HydrophobicContact CG2-CD2 4.39Å; I622-I649 HydrophobicContact CD1-CD1 3.81Å; I622-W657 HydrophobicContact CD1-CH2 4.38Å; I622-W657 HydrophobicContact CG1-CH2 4.18Å; I622-W657 HydrophobicContact CG2-CH2 3.66Å; I622-W657 HydrophobicContact CG2-CZ2 3.94Å; I622-M659 HydrophobicContact CB-CE 4.27Å; I622-M659 HydrophobicContact CG1-CE 3.55Å; I622-P662 HydrophobicContact CB-CG 3.97Å; I622-P662 HydrophobicContact CG2-CG 3.43Å; I622-P662 VanDerWaalsContact CG2-CG 3.43Å; I622-V667 HydrophobicContact CG2-CG1 4.38Å; I622-V667 HydrophobicContact CG2-CG2 3.88Å
623T94.4Very high91Very high59 Ų5948.8 Ų48.836%0.36226%0.258SS..Hα-helixtrans-60.5-45.8175.9-59.90000111.3P619 Q620 F621 S626 N627P619-T623 VanDerWaalsContact O-CB 3.26Å; P619-T623 WeakPolarHBondContact O-CB 3.38Å; P619-T623 PolarHBondContact O-N 3.33Å; P619-T623 PolarHBondContact O-OG1 3.37Å; Q620-T623 PolarHBondContact O-N 3Å; F621-T623 VanDerWaalsContact C-N 3.3Å; F621-T623 PolarHBondContact O-N 3.38Å; T623-S626 PolarHBondContact O-N 3Å; T623-N627 PolarHBondContact O-N 3.39Å; T623-N627 PolarHBondContact O-ND2 2.97Å
624V93.5Very high90Very high30 Ų3051.9 Ų51.918%0.18228%0.276CS..Hα-helixtrans-60-51.7177166.40000111.2F582 L583 L586 Q620 F621 I622 S626 N627 L628F582-V624 HydrophobicContact CE1-CG1 4.35Å; L583-V624 HydrophobicContact CD2-CB 4.29Å; L583-V624 HydrophobicContact CD2-CG1 4.36Å; L583-V624 HydrophobicContact CD2-CG2 3.87Å; L586-V624 HydrophobicContact CD2-CG1 3.29Å; Q620-V624 WeakPolarHBondContact O-CG2 3.15Å; Q620-V624 PolarHBondContact O-N 2.89Å; F621-V624 PolarHBondContact O-N 2.69Å; I622-V624 PolarHBondContact O-N 3.28Å; V624-S626 VanDerWaalsContact C-N 3.3Å; V624-S626 PolarHBondContact O-N 3.42Å; V624-N627 PolarHBondContact O-N 3.34Å; V624-N627 VanDerWaalsContact O-N 3.11Å; V624-L628 HydrophobicContact CG1-CD1 4.13Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.48Å
625F93.6Very high89.6Confident0 Ų050.7 Ų50.70%028%0.277CS..Hα-helixtrans-61.8-39.2179.5-91.2-100.2000112.6F582 L600 L603 F621 I622 N627 L628 L629 A642 V645 L646F582-F625 AromaticContact CE1-CE2 3.72Å; F582-F625 HydrophobicContact CE1-CE2 3.72Å; F582-F625 HydrophobicContact CE1-CZ 4.43Å; F582-F625 AromaticContact CZ-CE2 3.76Å; F582-F625 HydrophobicContact CZ-CE2 3.76Å; F582-F625 HydrophobicContact CZ-CZ 4.07Å; L600-F625 HydrophobicContact CD2-CE1 3.57Å; L600-F625 HydrophobicContact CD2-CE2 4.32Å; L600-F625 HydrophobicContact CD2-CZ 3.46Å; L600-F625 VanDerWaalsContact CD2-CZ 3.46Å; L603-F625 HydrophobicContact CB-CZ 4.16Å; L603-F625 HydrophobicContact CD1-CE2 3.87Å; L603-F625 HydrophobicContact CD1-CZ 3.57Å; F621-F625 AromaticContact CD1-CD2 3.97Å; F621-F625 HydrophobicContact CD1-CD2 3.97Å; F621-F625 HydrophobicContact CD1-CE2 4.27Å; F621-F625 HydrophobicContact CD2-CD2 4.07Å; F621-F625 AromaticContact CD2-CE2 3.9Å; F621-F625 HydrophobicContact CD2-CE2 3.9Å; F621-F625 AromaticContact CE1-CD2 3.66Å; F621-F625 HydrophobicContact CE1-CD2 3.66Å; F621-F625 AromaticContact CE1-CE2 3.62Å; F621-F625 HydrophobicContact CE1-CE2 3.62Å; F621-F625 HydrophobicContact CE1-CG 4.33Å; F621-F625 HydrophobicContact CE1-CZ 4.22Å; F621-F625 AromaticContact CE2-CD2 3.79Å; F621-F625 HydrophobicContact CE2-CD2 3.79Å; F621-F625 AromaticContact CE2-CE2 3.19Å; F621-F625 HydrophobicContact CE2-CE2 3.19Å; F621-F625 HydrophobicContact CE2-CZ 4.06Å; F621-F625 HydrophobicContact CG-CD2 4.19Å; F621-F625 HydrophobicContact CG-CE2 4.41Å; F621-F625 AromaticContact CZ-CD2 3.6Å; F621-F625 HydrophobicContact CZ-CD2 3.6Å; F621-F625 AromaticContact CZ-CE2 3.04Å; F621-F625 HydrophobicContact CZ-CE2 3.04Å; F621-F625 AromaticContact CZ-CZ 3.58Å; F621-F625 HydrophobicContact CZ-CZ 3.58Å; F621-F625 WeakPolarHBondContact O-CD2 3.42Å; F621-F625 PolarHBondContact O-N 2.97Å; I622-F625 PolarHBondContact O-N 3.24Å; F625-N627 VanDerWaalsContact C-N 3.3Å; F625-N627 PolarHBondContact O-N 3.27Å; F625-L628 PolarHBondContact O-N 3.16Å; F625-L629 PolarHBondContact O-N 3.28Å; F625-A642 HydrophobicContact CD1-CB 3.86Å; F625-A642 HydrophobicContact CE1-CB 4.3Å; F625-V645 HydrophobicContact CD1-CB 3.82Å; F625-V645 HydrophobicContact CD1-CG1 3.84Å; F625-V645 HydrophobicContact CD1-CG2 4.44Å; F625-V645 HydrophobicContact CE1-CB 3.46Å; F625-V645 VanDerWaalsContact CE1-CB 3.46Å; F625-V645 HydrophobicContact CE1-CG1 3.57Å; F625-V645 HydrophobicContact CE1-CG2 3.6Å; F625-V645 HydrophobicContact CZ-CB 4.34Å; F625-V645 HydrophobicContact CZ-CG1 4.09Å; F625-V645 HydrophobicContact CZ-CG2 4.24Å; F625-L646 HydrophobicContact CB-CD1 4.11Å; F625-L646 HydrophobicContact CB-CD2 3.95Å; F625-L646 HydrophobicContact CB-CG 3.99Å
626S94.7Very high89.4Confident2 Ų247.7 Ų47.71%0.01426%0.263CS..Hα-helixtrans-64-36.6176.1-167.30000111.6I622 T623 V624 L629 R670I622-S626 WeakPolarHBondContact O-CB 3.47Å; I622-S626 PolarHBondContact O-N 3.16Å; T623-S626 PolarHBondContact O-N 3Å; V624-S626 VanDerWaalsContact C-N 3.3Å; V624-S626 PolarHBondContact O-N 3.42Å; S626-L629 WeakPolarHBondContact O-CB 3.42Å; S626-L629 PolarHBondContact O-N 3Å; S626-R670 VanDerWaalsContact C-NH1 3.32Å; S626-R670 VanDerWaalsContact CB-NH1 3.34Å; S626-R670 PolarHBondContact O-NH1 3.08Å; S626-R670 PolarHBondContact O-NH2 2.9Å; S626-R670 WeakPolarHBondContact OG-CD 3.25Å; S626-R670 PolarHBondContact OG-NH1 3.07Å
627N92.6Very high89.2Confident88 Ų8848 Ų4847%0.47127%0.265SS..Hα-helixtrans-71-34.1174.6-67.3-15.8000113.1T623 V624 F625 L629 E630 R670T623-N627 PolarHBondContact O-N 3.39Å; T623-N627 PolarHBondContact O-ND2 2.97Å; V624-N627 PolarHBondContact O-N 3.34Å; V624-N627 VanDerWaalsContact O-N 3.11Å; F625-N627 VanDerWaalsContact C-N 3.3Å; F625-N627 PolarHBondContact O-N 3.27Å; N627-L629 PolarHBondContact O-N 3.43Å; N627-E630 PolarHBondContact O-N 3.45Å; N627-R670 PolarHBondContact OD1-NH1 3.24Å; N627-R670 PolarHBondContact OD1-NH2 3.05Å; N627-R670 VanDerWaalsContact OD1-NH2 3.14Å
628L92.2Very high89Confident22 Ų2247.3 Ų47.312%0.11526%0.261CS..Hα-helixtrans-66.7-18.2177.3-69.3174.4000113.4L586 L600 V624 F625 E630 S631 V638 S639 A642L586-L628 HydrophobicContact CD1-CD2 4.43Å; L586-L628 HydrophobicContact CD2-CD1 4.26Å; L586-L628 HydrophobicContact CD2-CD2 4.49Å; L600-L628 HydrophobicContact CD1-CD1 4.47Å; L600-L628 HydrophobicContact CD2-CD1 3.95Å; V624-L628 HydrophobicContact CG1-CD1 4.13Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.48Å; F625-L628 PolarHBondContact O-N 3.16Å; L628-E630 PolarHBondContact O-N 3.06Å; L628-S631 WeakPolarHBondContact O-CB 3.48Å; L628-S631 PolarHBondContact O-N 3.4Å; L628-V638 HydrophobicContact CB-CG1 4.33Å; L628-V638 HydrophobicContact CD2-CG1 3.92Å; L628-S639 WeakPolarHBondContact O-CA 3.47Å; L628-S639 WeakPolarHBondContact O-CB 3.26Å; L628-A642 HydrophobicContact CB-CB 3.75Å
629L93.5Very high89Confident4 Ų444.9 Ų44.92%0.02125%0.246CC..THydrogen-bonded Turntrans-59.8-30.3175-67.1173.5000113.1F625 S626 N627 S631 S639 C643 L646 R670 M671 A674F625-L629 PolarHBondContact O-N 3.28Å; S626-L629 WeakPolarHBondContact O-CB 3.42Å; S626-L629 PolarHBondContact O-N 3Å; N627-L629 PolarHBondContact O-N 3.43Å; L629-S631 VanDerWaalsContact C-N 3.32Å; L629-S639 WeakPolarHBondContact O-CB 3.31Å; L629-C643 HydrophobicContact CD2-CB 3.52Å; L629-L646 HydrophobicContact CD1-CD1 3.87Å; L629-L646 HydrophobicContact CD2-CD1 4.18Å; L629-L646 HydrophobicContact CG-CD1 4.15Å; L629-R670 HydrophobicContact CD1-CB 3.93Å; L629-M671 HydrophobicContact CD1-CB 4.36Å; L629-M671 HydrophobicContact CD1-CG 3.7Å; L629-M671 HydrophobicContact CD2-CG 4.33Å; L629-A674 HydrophobicContact CB-CB 3.96Å; L629-A674 HydrophobicContact CD2-CB 4.23Å
630E89.1Confident89Confident136 Ų13641.6 Ų41.664%0.63623%0.225SC*.THydrogen-bonded Turntrans-88.3-2.4179.3-68.3168.2-146.700112.6N627 L628 K632 R670N627-E630 PolarHBondContact O-N 3.45Å; L628-E630 PolarHBondContact O-N 3.06Å; E630-K632 PolarHBondContact O-N 3.32Å; E630-R670 IonicContact OE1-CZ 2.94Å; E630-R670 IonicContact OE1-NE 2.75Å; E630-R670 PolarHBondContact OE1-NE 3.41Å; E630-R670 IonicContact OE1-NH2 2.9Å; E630-R670 PolarHBondContact OE1-NH2 2.9Å
631S85.8Confident88.9Confident30 Ų3036.4 Ų36.421%0.2120%0.201CC..  trans-67.7128.8179.3-174.10000111.3L628 L629 A633 S639L628-S631 WeakPolarHBondContact O-CB 3.48Å; L628-S631 PolarHBondContact O-N 3.4Å; L629-S631 VanDerWaalsContact C-N 3.32Å; S631-A633 WeakPolarHBondContact OG-CB 3.47Å; S631-A633 PolarHBondContact OG-N 3.43Å; S631-S639 WeakPolarHBondContact O-CB 3.44Å; S631-S639 PolarHBondContact O-OG 2.96Å; S631-S639 VanDerWaalsContact O-OG 3.11Å
632K81.4Confident89Confident193 Ų19336.4 Ų36.484%0.83920%0.201SC*.  trans-102.812.1171.4-59.7-174.1178.8-177.10112.5E630 G635E630-K632 PolarHBondContact O-N 3.32Å; K632-G635 CarbonylContact C-O 3.44Å; K632-G635 VanDerWaalsContact C-O 3.32Å
633A73.7Confident89Confident24 Ų2436.4 Ų36.420%0.19820%0.201CC..THydrogen-bonded Turntrans-78.2135-176.300000110.4Q593 S631 G635Q593-A633 HydrophobicContact CG-CB 4.08Å; S631-A633 WeakPolarHBondContact OG-CB 3.47Å; S631-A633 PolarHBondContact OG-N 3.43Å; A633-G635 VanDerWaalsContact C-N 3.27Å; A633-G635 PolarHBondContact O-N 3.28Å
634D74.1Confident89Confident77 Ų7733.9 Ų33.941%0.41219%0.187SC..THydrogen-bonded Turntrans55.339.6-171.4-155.923.8000112.9Q593 R597 I636 E637Q593-D634 HydrophobicContact CB-CB 4.05Å; Q593-D634 HydrophobicContact CG-CB 4.5Å; R597-D634 IonicContact NH1-OD2 2.72Å; R597-D634 PolarHBondContact NH1-OD2 3.05Å; R597-D634 VanDerWaalsContact NH1-OD2 3.12Å; D634-I636 PolarHBondContact O-N 3.43Å; D634-E637 HydrophobicContact CB-CB 4.3Å; D634-E637 HydrophobicContact CB-CG 4.46Å; D634-E637 WeakPolarHBondContact O-CB 3.22Å; D634-E637 WeakPolarHBondContact O-CG 3.3Å; D634-E637 PolarHBondContact O-N 3.39Å
635G83.5Confident89.1Confident49 Ų4932.4 Ų32.451%0.50518%0.178SC..THydrogen-bonded Turntrans75.4-123.5-175.900000111.7K632 A633K632-G635 CarbonylContact C-O 3.44Å; K632-G635 VanDerWaalsContact C-O 3.32Å; A633-G635 VanDerWaalsContact C-N 3.27Å; A633-G635 PolarHBondContact O-N 3.28Å
636I88.5Confident89.2Confident20 Ų2032.4 Ų32.410%0.10318%0.178CC..THydrogen-bonded Turntrans-99.93.4176.766166.5000112.7D634 V638 S639 Y640 W678 R684 W712D634-I636 PolarHBondContact O-N 3.43Å; I636-V638 PolarHBondContact O-N 3.18Å; I636-S639 PolarHBondContact O-OG 3.06Å; I636-Y640 WeakPolarHBondContact O-CA 3.49Å; I636-Y640 WeakPolarHBondContact O-CB 3.42Å; I636-Y640 PolarHBondContact O-N 3.27Å; I636-W678 HydrophobicContact CB-CG 4.21Å; I636-W678 HydrophobicContact CD1-CB 4.28Å; I636-W678 HydrophobicContact CD1-CG 4.3Å; I636-W678 HydrophobicContact CG2-CB 4.15Å; I636-W678 VanDerWaalsContact CG2-CD1 3.47Å; I636-W678 HydrophobicContact CG2-CG 3.88Å; I636-R684 HydrophobicContact CD1-CG 4.33Å; I636-R684 HydrophobicContact CG1-CG 4.2Å; I636-W712 HydrophobicContact CD1-CH2 3.52Å; I636-W712 HydrophobicContact CD1-CZ2 4.34Å; I636-W712 HydrophobicContact CD1-CZ3 4.31Å
637E86.9Confident89.3Confident8 Ų832.3 Ų32.34%0.03718%0.177CC..Hα-helixtrans-60-51.5-170-69.2-73.8-169.500113.1D634 N641 R684 N685D634-E637 HydrophobicContact CB-CB 4.3Å; D634-E637 HydrophobicContact CB-CG 4.46Å; D634-E637 WeakPolarHBondContact O-CB 3.22Å; D634-E637 WeakPolarHBondContact O-CG 3.3Å; D634-E637 PolarHBondContact O-N 3.39Å; E637-N641 WeakPolarHBondContact O-CB 3.33Å; E637-N641 PolarHBondContact O-N 2.94Å; E637-N641 PolarHBondContact O-ND2 2.79Å; E637-R684 VanDerWaalsContact OE1-C 3.25Å; E637-R684 WeakPolarHBondContact OE1-CA 3.36Å; E637-R684 VanDerWaalsContact OE1-CB 3.26Å; E637-R684 WeakPolarHBondContact OE1-CB 3.21Å; E637-N685 PolarHBondContact OE1-N 3.46Å
638V88.3Confident89.4Confident1 Ų128.8 Ų28.81%0.00616%0.158CC..Hα-helixtrans-64.4-48.8-177.5172.60000110.6H596 L600 L628 I636 N641 A642H596-V638 HydrophobicContact CB-CG2 4.42Å; L600-V638 HydrophobicContact CD1-CB 4.32Å; L600-V638 HydrophobicContact CD1-CG1 3.84Å; L628-V638 HydrophobicContact CB-CG1 4.33Å; L628-V638 HydrophobicContact CD2-CG1 3.92Å; I636-V638 PolarHBondContact O-N 3.18Å; V638-N641 PolarHBondContact O-N 3.36Å; V638-A642 WeakPolarHBondContact O-CB 3.46Å; V638-A642 PolarHBondContact O-N 3.05Å
639S91.6Very high89.5Confident3 Ų328.2 Ų28.22%0.02116%0.155CC..Hα-helixtrans-68.1-37.2-179.645.70000112.5L628 L629 S631 I636 C643 W678L628-S639 WeakPolarHBondContact O-CA 3.47Å; L628-S639 WeakPolarHBondContact O-CB 3.26Å; L629-S639 WeakPolarHBondContact O-CB 3.31Å; S631-S639 WeakPolarHBondContact O-CB 3.44Å; S631-S639 PolarHBondContact O-OG 2.96Å; S631-S639 VanDerWaalsContact O-OG 3.11Å; I636-S639 PolarHBondContact O-OG 3.06Å; S639-C643 VanDerWaalsContact O-CB 3.26Å; S639-C643 WeakPolarHBondContact O-CB 3.37Å; S639-C643 PolarHBondContact O-N 3.06Å; S639-W678 PolarHBondContact OG-NE1 3.43Å
640Y92.3Very high89.5Confident1 Ų128.1 Ų28.10%0.00415%0.154CC..Hα-helixtrans-61.7-50.6174.3173.2-88.3000112I636 C643 G644 W678 R684 I686 Y688 W709 W712 A713I636-Y640 WeakPolarHBondContact O-CA 3.49Å; I636-Y640 WeakPolarHBondContact O-CB 3.42Å; I636-Y640 PolarHBondContact O-N 3.27Å; Y640-C643 PolarHBondContact O-N 3.14Å; Y640-G644 PolarHBondContact O-N 3.05Å; Y640-W678 HydrophobicContact CD2-CE3 4.49Å; Y640-W678 HydrophobicContact CD2-CH2 4.35Å; Y640-W678 AromaticContact CD2-CZ3 3.97Å; Y640-W678 HydrophobicContact CD2-CZ3 3.97Å; Y640-R684 VanDerWaalsContact CD1-NH1 3.31Å; Y640-R684 PolarHBondContact OH-NH1 3.38Å; Y640-R684 VanDerWaalsContact OH-NH1 3.1Å; Y640-I686 HydrophobicContact CD1-CD1 3.91Å; Y640-I686 HydrophobicContact CE1-CD1 3.89Å; Y640-Y688 PolarHBondContact OH-OH 2.97Å; Y640-W709 AromaticContact CD2-NE1 3.85Å; Y640-W709 AromaticContact CE1-CZ2 3.9Å; Y640-W709 HydrophobicContact CE1-CZ2 3.9Å; Y640-W709 AromaticContact CE2-CE2 3.94Å; Y640-W709 AromaticContact CE2-CZ2 3.88Å; Y640-W709 HydrophobicContact CE2-CZ2 3.88Å; Y640-W709 AromaticContact CE2-NE1 3.7Å; Y640-W709 AromaticContact CZ-CZ2 3.46Å; Y640-W709 VanDerWaalsContact CZ-CZ2 3.46Å; Y640-W712 HydrophobicContact CD2-CE3 4.24Å; Y640-W712 AromaticContact CD2-CZ3 3.7Å; Y640-W712 HydrophobicContact CD2-CZ3 3.7Å; Y640-W712 HydrophobicContact CE2-CE3 4.1Å; Y640-W712 AromaticContact CE2-CZ3 3.8Å; Y640-W712 HydrophobicContact CE2-CZ3 3.8Å; Y640-A713 HydrophobicContact CE2-CB 3.98Å; Y640-A713 WeakPolarHBondContact OH-CB 3.26Å
641N91.1Very high89.7Confident18 Ų1824.5 Ų24.510%0.09614%0.137CC..Hα-helixtrans-66.6-40.3-178.8-75-68.2000111.3L600 E637 V638 C643 G644 V645L600-N641 HydrophobicContact CB-CB 3.8Å; L600-N641 HydrophobicContact CD1-CB 4.4Å; E637-N641 WeakPolarHBondContact O-CB 3.33Å; E637-N641 PolarHBondContact O-N 2.94Å; E637-N641 PolarHBondContact O-ND2 2.79Å; V638-N641 PolarHBondContact O-N 3.36Å; N641-C643 VanDerWaalsContact C-N 3.33Å; N641-C643 PolarHBondContact O-N 3.14Å; N641-G644 PolarHBondContact O-N 3.49Å; N641-V645 PolarHBondContact O-N 2.85Å; N641-V645 VanDerWaalsContact O-N 3.08Å
642A93Very high89.9Confident0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-59.7-44.2173.900000111.9F625 L628 V638 G644 V645 L646F625-A642 HydrophobicContact CD1-CB 3.86Å; F625-A642 HydrophobicContact CE1-CB 4.3Å; L628-A642 HydrophobicContact CB-CB 3.75Å; V638-A642 WeakPolarHBondContact O-CB 3.46Å; V638-A642 PolarHBondContact O-N 3.05Å; A642-G644 VanDerWaalsContact C-N 3.32Å; A642-G644 PolarHBondContact O-N 3.37Å; A642-V645 PolarHBondContact O-N 3.28Å; A642-L646 WeakPolarHBondContact O-CG 3.41Å; A642-L646 PolarHBondContact O-N 3.35Å; A642-L646 VanDerWaalsContact O-N 3.07Å
643C95.3Very high90.4Very high0 Ų016 Ų160%010%0.099CC..Hα-helixtrans-65.8-33.6176.3-161.50000112.5L629 S639 Y640 N641 L646 S647 W678 W709L629-C643 HydrophobicContact CD2-CB 3.52Å; S639-C643 VanDerWaalsContact O-CB 3.26Å; S639-C643 WeakPolarHBondContact O-CB 3.37Å; S639-C643 PolarHBondContact O-N 3.06Å; Y640-C643 PolarHBondContact O-N 3.14Å; N641-C643 VanDerWaalsContact C-N 3.33Å; N641-C643 PolarHBondContact O-N 3.14Å; C643-L646 PolarHBondContact O-N 2.89Å; C643-S647 VanDerWaalsContact O-CB 3.29Å; C643-S647 WeakPolarHBondContact O-CB 3.41Å; C643-S647 PolarHBondContact O-N 2.84Å; C643-S647 PolarHBondContact O-OG 3.5Å; C643-W678 HydrophobicContact CB-CH2 3.57Å; C643-W678 HydrophobicContact CB-CZ2 4.13Å; C643-W709 VanDerWaalsContact SG-CD1 3.53Å
644G94.4Very high91.2Very high5 Ų518.3 Ų18.35%0.05211%0.112CC..Hα-helixtrans-62.2-49.4173.800000112.9Y640 N641 A642 L646 S647 H648Y640-G644 PolarHBondContact O-N 3.05Å; N641-G644 PolarHBondContact O-N 3.49Å; A642-G644 VanDerWaalsContact C-N 3.32Å; A642-G644 PolarHBondContact O-N 3.37Å; G644-L646 VanDerWaalsContact C-N 3.33Å; G644-L646 PolarHBondContact O-N 2.63Å; G644-S647 WeakPolarHBondContact O-CB 3.48Å; G644-S647 PolarHBondContact O-N 3.04Å; G644-S647 VanDerWaalsContact O-N 3.11Å; G644-H648 PolarHBondContact O-CD2 2.86Å; G644-H648 VanDerWaalsContact O-CD2 3.27Å; G644-H648 PolarHBondContact O-N 3.06Å; G644-H648 VanDerWaalsContact O-N 3.08Å
645V95Very high91.9Very high0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-56.3-48.7174.2170.50000111L603 A607 F621 F625 N641 A642 S647 H648 I649L603-V645 HydrophobicContact CB-CG2 4.12Å; A607-V645 HydrophobicContact CB-CB 4.42Å; A607-V645 HydrophobicContact CB-CG1 4.06Å; A607-V645 HydrophobicContact CB-CG2 4.45Å; F621-V645 HydrophobicContact CE1-CG1 4.22Å; F625-V645 HydrophobicContact CD1-CB 3.82Å; F625-V645 HydrophobicContact CD1-CG1 3.84Å; F625-V645 HydrophobicContact CD1-CG2 4.44Å; F625-V645 HydrophobicContact CE1-CB 3.46Å; F625-V645 VanDerWaalsContact CE1-CB 3.46Å; F625-V645 HydrophobicContact CE1-CG1 3.57Å; F625-V645 HydrophobicContact CE1-CG2 3.6Å; F625-V645 HydrophobicContact CZ-CB 4.34Å; F625-V645 HydrophobicContact CZ-CG1 4.09Å; F625-V645 HydrophobicContact CZ-CG2 4.24Å; N641-V645 PolarHBondContact O-N 2.85Å; N641-V645 VanDerWaalsContact O-N 3.08Å; A642-V645 PolarHBondContact O-N 3.28Å; V645-S647 VanDerWaalsContact C-N 3.31Å; V645-S647 PolarHBondContact O-N 3.21Å; V645-H648 PolarHBondContact O-N 3.46Å; V645-I649 HydrophobicContact CG1-CD1 4.1Å; V645-I649 WeakPolarHBondContact O-CG1 3.22Å; V645-I649 PolarHBondContact O-N 2.95Å; V645-I649 VanDerWaalsContact O-N 3.1Å
646L96.5Very high92.2Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-63.4-36.3177.6-70173.7000112.1I622 F625 L629 A642 C643 G644 H648 I649 M650 V667 M671I622-L646 HydrophobicContact CD1-CD2 3.99Å; I622-L646 HydrophobicContact CG2-CD2 4.39Å; F625-L646 HydrophobicContact CB-CD1 4.11Å; F625-L646 HydrophobicContact CB-CD2 3.95Å; F625-L646 HydrophobicContact CB-CG 3.99Å; L629-L646 HydrophobicContact CD1-CD1 3.87Å; L629-L646 HydrophobicContact CD2-CD1 4.18Å; L629-L646 HydrophobicContact CG-CD1 4.15Å; A642-L646 WeakPolarHBondContact O-CG 3.41Å; A642-L646 PolarHBondContact O-N 3.35Å; A642-L646 VanDerWaalsContact O-N 3.07Å; C643-L646 PolarHBondContact O-N 2.89Å; G644-L646 VanDerWaalsContact C-N 3.33Å; G644-L646 PolarHBondContact O-N 2.63Å; L646-H648 VanDerWaalsContact C-N 3.34Å; L646-H648 PolarHBondContact O-N 3.44Å; L646-I649 PolarHBondContact O-N 2.71Å; L646-I649 VanDerWaalsContact O-N 3.13Å; L646-M650 WeakPolarHBondContact O-CB 3.43Å; L646-M650 WeakPolarHBondContact O-CG 3.29Å; L646-M650 PolarHBondContact O-N 3.45Å; L646-V667 HydrophobicContact CD1-CG1 4.05Å; L646-V667 HydrophobicContact CD2-CG1 4.19Å; L646-M671 HydrophobicContact CB-CE 3.7Å; L646-M671 HydrophobicContact CB-CG 4.33Å; L646-M671 HydrophobicContact CB-SD 3.58Å; L646-M671 VanDerWaalsContact CB-SD 3.58Å; L646-M671 HydrophobicContact CD1-CG 4Å; L646-M671 HydrophobicContact CD1-SD 4.19Å; L646-M671 HydrophobicContact CG-SD 4.49Å
647S96.1Very high92.3Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-63-41.2178.5-65.70000111.9C643 G644 V645 F651 M671 S706 W709C643-S647 VanDerWaalsContact O-CB 3.29Å; C643-S647 WeakPolarHBondContact O-CB 3.41Å; C643-S647 PolarHBondContact O-N 2.84Å; C643-S647 PolarHBondContact O-OG 3.5Å; G644-S647 WeakPolarHBondContact O-CB 3.48Å; G644-S647 PolarHBondContact O-N 3.04Å; G644-S647 VanDerWaalsContact O-N 3.11Å; V645-S647 VanDerWaalsContact C-N 3.31Å; V645-S647 PolarHBondContact O-N 3.21Å; S647-F651 WeakPolarHBondContact O-CB 3.21Å; S647-F651 PolarHBondContact O-N 3.08Å; S647-F651 VanDerWaalsContact O-N 3.14Å; S647-M671 WeakPolarHBondContact OG-CE 3.34Å; S647-S706 WeakPolarHBondContact O-CB 3.45Å; S647-S706 PolarHBondContact O-OG 3.16Å; S647-W709 VanDerWaalsContact OG-CB 3.23Å; S647-W709 WeakPolarHBondContact OG-CB 3.25Å; S647-W709 VanDerWaalsContact OG-CG 3.28Å
648H94.9Very high92.3Very high14 Ų1428.9 Ų28.97%0.06516%0.16CC..Hα-helixtrans-64.2-42.2171.5-77-73.3000111.7A607 R613 G644 V645 L646 F651 P693A607-H648 HydrophobicContact CB-CB 3.87Å; A607-H648 WeakPolarHBondContact O-CB 3.41Å; R613-H648 VanDerWaalsContact CD-O 3.26Å; R613-H648 WeakPolarHBondContact CD-O 3.23Å; R613-H648 PolarHBondContact NH1-O 2.89Å; G644-H648 PolarHBondContact O-CD2 2.86Å; G644-H648 VanDerWaalsContact O-CD2 3.27Å; G644-H648 PolarHBondContact O-N 3.06Å; G644-H648 VanDerWaalsContact O-N 3.08Å; V645-H648 PolarHBondContact O-N 3.46Å; L646-H648 VanDerWaalsContact C-N 3.34Å; L646-H648 PolarHBondContact O-N 3.44Å; H648-F651 WeakPolarHBondContact O-CB 3.38Å; H648-F651 PolarHBondContact O-N 2.72Å; H648-P693 PolarHBondContact CE1-O 3.47Å
649I94.3Very high92.5Very high10 Ų1029.9 Ų29.95%0.05117%0.165CC..Hα-helixtrans-65-46.3177.2-64.6170.5000111.1L616 L617 I622 V645 L646 F651 D652 W657L616-I649 HydrophobicContact CB-CD1 4.01Å; L616-I649 HydrophobicContact CD1-CD1 4.41Å; L617-I649 HydrophobicContact CD1-CG2 3.85Å; I622-I649 HydrophobicContact CD1-CD1 3.81Å; V645-I649 HydrophobicContact CG1-CD1 4.1Å; V645-I649 WeakPolarHBondContact O-CG1 3.22Å; V645-I649 PolarHBondContact O-N 2.95Å; V645-I649 VanDerWaalsContact O-N 3.1Å; L646-I649 PolarHBondContact O-N 2.71Å; L646-I649 VanDerWaalsContact O-N 3.13Å; I649-F651 PolarHBondContact O-N 3.41Å; I649-D652 PolarHBondContact O-N 3.11Å; I649-W657 HydrophobicContact CG2-CE3 4.43Å; I649-W657 HydrophobicContact CG2-CZ3 3.94Å
650M93.8Very high92.3Very high1 Ų138.3 Ų38.31%0.00520%0.204CC..Hα-helixtrans-61.2-32.2-178.2-72.1-58.316600112.9L646 D652 G653 W657 R664 V667 M668 M671 A703L646-M650 WeakPolarHBondContact O-CB 3.43Å; L646-M650 WeakPolarHBondContact O-CG 3.29Å; L646-M650 PolarHBondContact O-N 3.45Å; M650-D652 PolarHBondContact O-N 2.78Å; M650-G653 PolarHBondContact O-N 3.45Å; M650-W657 HydrophobicContact CE-CE3 4.22Å; M650-W657 HydrophobicContact CE-CH2 3.35Å; M650-W657 HydrophobicContact CE-CZ2 4.38Å; M650-W657 HydrophobicContact CE-CZ3 3.26Å; M650-W657 HydrophobicContact SD-CE3 4.21Å; M650-W657 HydrophobicContact SD-CH2 4.38Å; M650-W657 HydrophobicContact SD-CZ3 3.73Å; M650-R664 HydrophobicContact CE-CG 4.27Å; M650-R664 PolarHBondContact O-NH2 3.34Å; M650-R664 HydrophobicContact SD-CG 3.66Å; M650-V667 HydrophobicContact CE-CB 3.66Å; M650-V667 HydrophobicContact CE-CG1 3.45Å; M650-V667 VanDerWaalsContact CE-CG1 3.45Å; M650-M668 HydrophobicContact CE-CG 4.3Å; M650-M668 HydrophobicContact CG-CG 4.35Å; M650-M668 HydrophobicContact SD-CG 3.79Å; M650-M668 HydrophobicContact SD-SD 4.49Å; M650-M671 HydrophobicContact CE-SD 4.34Å; M650-M671 HydrophobicContact CG-CE 4.44Å; M650-M671 HydrophobicContact CG-SD 3.89Å; M650-A703 HydrophobicContact CB-CB 4.24Å; M650-A703 VanDerWaalsContact O-CB 3.25Å; M650-A703 WeakPolarHBondContact O-CB 3.32Å
651F93.3Very high92.2Very high61 Ų6143.3 Ų43.327%0.26823%0.227SC..Hα-helixtrans-57.4-29.4178.4178.8-90.6000113.4S647 H648 I649 G653 R696 L697 Q700S647-F651 WeakPolarHBondContact O-CB 3.21Å; S647-F651 PolarHBondContact O-N 3.08Å; S647-F651 VanDerWaalsContact O-N 3.14Å; H648-F651 WeakPolarHBondContact O-CB 3.38Å; H648-F651 PolarHBondContact O-N 2.72Å; I649-F651 PolarHBondContact O-N 3.41Å; F651-G653 PolarHBondContact O-N 3.19Å; F651-R696 WeakPolarHBondContact CE2-O 3.48Å; F651-R696 WeakPolarHBondContact CZ-O 3.47Å; F651-L697 HydrophobicContact CB-CD2 3.78Å; F651-L697 HydrophobicContact CD1-CD2 4.5Å; F651-L697 HydrophobicContact CD2-CB 4.47Å; F651-L697 HydrophobicContact CD2-CD2 3.57Å; F651-L697 HydrophobicContact CE2-CD2 4.25Å; F651-L697 HydrophobicContact CG-CD2 3.72Å; F651-Q700 HydrophobicContact CD2-CG 3.71Å; F651-Q700 HydrophobicContact CE2-CB 4.11Å; F651-Q700 HydrophobicContact CE2-CG 3.52Å
652D91.1Very high92.3Very high38 Ų3843.5 Ų43.520%0.20323%0.229CC..THydrogen-bonded Turntrans-68.2-12.3177.2-82.4-21.1000114R613 I649 M650 V656R613-D652 IonicContact CZ-OD1 2.69Å; R613-D652 IonicContact CZ-OD2 3.9Å; R613-D652 IonicContact NE-OD2 3.87Å; R613-D652 PolarHBondContact NE-OD2 3.33Å; R613-D652 IonicContact NH1-OD1 3.05Å; R613-D652 PolarHBondContact NH1-OD1 3.41Å; R613-D652 IonicContact NH1-OD2 2.75Å; R613-D652 PolarHBondContact NH1-OD2 3.1Å; R613-D652 VanDerWaalsContact NH2-CG 3.31Å; R613-D652 IonicContact NH2-OD1 3.9Å; R613-D652 PolarHBondContact NH2-OD1 2.91Å; R613-D652 IonicContact NH2-OD2 2.93Å; R613-D652 PolarHBondContact NH2-OD2 2.89Å; I649-D652 PolarHBondContact O-N 3.11Å; M650-D652 PolarHBondContact O-N 2.78Å; D652-V656 HydrophobicContact CB-CB 3.92Å; D652-V656 HydrophobicContact CB-CG1 4.1Å; D652-V656 HydrophobicContact CB-CG2 3.9Å
653G90.1Very high92.3Very high5 Ų551.3 Ų51.35%0.05226%0.259CS..  trans83.1176.2174.100000114.1M650 F651 Q655 V656M650-G653 PolarHBondContact O-N 3.45Å; F651-G653 PolarHBondContact O-N 3.19Å; G653-Q655 VanDerWaalsContact C-N 3.29Å; G653-Q655 PolarHBondContact O-N 3.3Å; G653-V656 PolarHBondContact O-N 2.77Å
654P90.7Very high92.3Very high74 Ų7452.4 Ų52.448%0.48126%0.263SS..G310 helixtrans-67.6-27.3-171.525.9-34.6000113.5V656 W657P654-V656 PolarHBondContact O-N 3.07Å; P654-W657 WeakPolarHBondContact O-CB 3.44Å; P654-W657 PolarHBondContact O-N 3.43Å; P654-W657 VanDerWaalsContact O-N 3.11Å
655Q89Confident92.2Very high182 Ų18257 Ų5785%0.8529%0.286SS*.G310 helixtrans-66.4-25-178.1-61.2-67.7-3.900113.2G653G653-Q655 VanDerWaalsContact C-N 3.29Å; G653-Q655 PolarHBondContact O-N 3.3Å
656V89.7Confident92.2Very high58 Ų5859.4 Ų59.435%0.35231%0.306SS..G310 helixtrans-88.2-18.3177.7-179.30000111.2L617 D652 G653 P654 S658L617-V656 WeakPolarHBondContact CD2-O 3.48Å; D652-V656 HydrophobicContact CB-CB 3.92Å; D652-V656 HydrophobicContact CB-CG1 4.1Å; D652-V656 HydrophobicContact CB-CG2 3.9Å; G653-V656 PolarHBondContact O-N 2.77Å; P654-V656 PolarHBondContact O-N 3.07Å; V656-S658 VanDerWaalsContact C-N 3.35Å; V656-S658 PolarHBondContact O-N 2.91Å
657W92Very high92.2Very high30 Ų3059.4 Ų59.411%0.11431%0.306CS..  trans-75.381.5-179.5-162.2-82000111.7L617 I622 I649 M650 P654 M659 P662 R664 V667L617-W657 HydrophobicContact CD1-CD2 4.04Å; L617-W657 HydrophobicContact CD1-CE3 3.64Å; L617-W657 HydrophobicContact CD1-CH2 4.26Å; L617-W657 HydrophobicContact CD1-CZ3 3.76Å; I622-W657 HydrophobicContact CD1-CH2 4.38Å; I622-W657 HydrophobicContact CG1-CH2 4.18Å; I622-W657 HydrophobicContact CG2-CH2 3.66Å; I622-W657 HydrophobicContact CG2-CZ2 3.94Å; I649-W657 HydrophobicContact CG2-CE3 4.43Å; I649-W657 HydrophobicContact CG2-CZ3 3.94Å; M650-W657 HydrophobicContact CE-CE3 4.22Å; M650-W657 HydrophobicContact CE-CH2 3.35Å; M650-W657 HydrophobicContact CE-CZ2 4.38Å; M650-W657 HydrophobicContact CE-CZ3 3.26Å; M650-W657 HydrophobicContact SD-CE3 4.21Å; M650-W657 HydrophobicContact SD-CH2 4.38Å; M650-W657 HydrophobicContact SD-CZ3 3.73Å; P654-W657 WeakPolarHBondContact O-CB 3.44Å; P654-W657 PolarHBondContact O-N 3.43Å; P654-W657 VanDerWaalsContact O-N 3.11Å; W657-M659 VanDerWaalsContact C-N 3.28Å; W657-M659 HydrophobicContact CZ2-CE 4.11Å; W657-M659 PolarHBondContact NE1-O 3.08Å; W657-M659 PolarHBondContact O-N 3.42Å; W657-P662 WeakPolarHBondContact CZ2-O 3.2Å; W657-P662 PolarHBondContact NE1-O 3.46Å; W657-R664 HydrophobicContact CB-CB 4.47Å; W657-R664 HydrophobicContact CD2-CB 3.68Å; W657-R664 HydrophobicContact CD2-CG 3.8Å; W657-R664 HydrophobicContact CE3-CB 4.25Å; W657-R664 HydrophobicContact CE3-CG 3.86Å; W657-R664 HydrophobicContact CG-CB 3.77Å; W657-R664 HydrophobicContact CG-CG 4.12Å; W657-R664 HydrophobicContact CZ2-CB 4.34Å; W657-R664 HydrophobicContact CZ3-CG 4.34Å; W657-V667 HydrophobicContact CH2-CG2 4.35Å; W657-V667 HydrophobicContact CZ2-CG2 4.29Å
658S86.9Confident92.2Very high105 Ų10560.8 Ų60.873%0.73431%0.313SS*.  trans-82.35-173.462.80000115.3V656V656-S658 VanDerWaalsContact C-N 3.35Å; V656-S658 PolarHBondContact O-N 2.91Å
659M90.6Very high92.2Very high23 Ų2365 Ų6511%0.11334%0.336CS..  trans-104.9142.3-174.1-57.5-178.8-59.400111.8L617 T618 P619 I622 W657L617-M659 VanDerWaalsContact C-SD 3.52Å; L617-M659 HydrophobicContact CD1-CE 3.39Å; L617-M659 HydrophobicContact CG-CE 3.51Å; L617-M659 HydrophobicContact CG-CG 4.39Å; L617-M659 HydrophobicContact CG-SD 4.07Å; L617-M659 VanDerWaalsContact O-SD 3.34Å; T618-M659 WeakPolarHBondContact CA-SD 3.33Å; P619-M659 HydrophobicContact CB-SD 4.49Å; P619-M659 WeakPolarHBondContact CD-SD 3.48Å; P619-M659 HydrophobicContact CG-CG 4.39Å; P619-M659 HydrophobicContact CG-SD 3.77Å; I622-M659 HydrophobicContact CB-CE 4.27Å; I622-M659 HydrophobicContact CG1-CE 3.55Å; W657-M659 VanDerWaalsContact C-N 3.28Å; W657-M659 HydrophobicContact CZ2-CE 4.11Å; W657-M659 PolarHBondContact NE1-O 3.08Å; W657-M659 PolarHBondContact O-N 3.42Å
660E87.8Confident92.3Very high179 Ų17967.6 Ų67.684%0.83635%0.345SS*.SBendtrans-75.7-43.9176.7-65.5-175.1171.500112.2
661E90Very high92.5Very high107 Ų10767.5 Ų67.550%0.535%0.345SS..SBendtrans-133.9140.3178.1-68.6-61.6159.200111.1P619 R663P619-E661 WeakPolarHBondContact CB-O 3.4Å; E661-R663 IonicContact OE1-NE 3.32Å; E661-R663 PolarHBondContact OE1-NE 2.88Å; E661-R663 PolarHBondContact OE2-N 3.38Å
662P93Very high92.6Very high21 Ų2167 Ų6714%0.13634%0.341CS..SBendcis-69.8144.3-6.230.3-34.5000111.8I622 W657 R664 V667I622-P662 HydrophobicContact CB-CG 3.97Å; I622-P662 HydrophobicContact CG2-CG 3.43Å; I622-P662 VanDerWaalsContact CG2-CG 3.43Å; W657-P662 WeakPolarHBondContact CZ2-O 3.2Å; W657-P662 PolarHBondContact NE1-O 3.46Å; P662-R664 PolarHBondContact O-N 3.49Å; P662-V667 HydrophobicContact CB-CG2 3.87Å; P662-V667 HydrophobicContact CG-CG2 3.88Å
663R94.1Very high92.8Very high164 Ų16470.1 Ų70.162%0.61936%0.358SS*.  trans-60.9135.7176.8-66.2-178.7-178-165.5-6.9111.3E661 D665 A666 V667E661-R663 IonicContact OE1-NE 3.32Å; E661-R663 PolarHBondContact OE1-NE 2.88Å; E661-R663 PolarHBondContact OE2-N 3.38Å; R663-D665 VanDerWaalsContact C-N 3.28Å; R663-D665 PolarHBondContact O-N 3.11Å; R663-A666 HydrophobicContact CB-CB 4.24Å; R663-A666 PolarHBondContact O-N 3.34Å; R663-A666 VanDerWaalsContact O-N 3.12Å; R663-V667 PolarHBondContact O-N 3.48Å; R663-V667 VanDerWaalsContact O-N 3.14Å
664R94.1Very high93.1Very high23 Ų2370.2 Ų70.29%0.08736%0.358CS..Hα-helixtrans-50-48178.8-170.3176.9175.6-87.40.6112.4M650 W657 P662 A666 V667 M668M650-R664 HydrophobicContact CE-CG 4.27Å; M650-R664 PolarHBondContact O-NH2 3.34Å; M650-R664 HydrophobicContact SD-CG 3.66Å; W657-R664 HydrophobicContact CB-CB 4.47Å; W657-R664 HydrophobicContact CD2-CB 3.68Å; W657-R664 HydrophobicContact CD2-CG 3.8Å; W657-R664 HydrophobicContact CE3-CB 4.25Å; W657-R664 HydrophobicContact CE3-CG 3.86Å; W657-R664 HydrophobicContact CG-CB 3.77Å; W657-R664 HydrophobicContact CG-CG 4.12Å; W657-R664 HydrophobicContact CZ2-CB 4.34Å; W657-R664 HydrophobicContact CZ3-CG 4.34Å; P662-R664 PolarHBondContact O-N 3.49Å; R664-A666 PolarHBondContact O-N 3.48Å; R664-V667 PolarHBondContact O-N 3.24Å; R664-M668 VanDerWaalsContact NH1-CE 3.29Å; R664-M668 PolarHBondContact NH1-SD 3.23Å; R664-M668 WeakPolarHBondContact O-CG 3.38Å; R664-M668 PolarHBondContact O-N 2.98Å
665D94.1Very high93.4Very high102 Ų10266.8 Ų66.855%0.54534%0.335SS..Hα-helixtrans-64-41.8-177.5-59.1-23.9000112.1R663 V667 M668 D669R663-D665 VanDerWaalsContact C-N 3.28Å; R663-D665 PolarHBondContact O-N 3.11Å; D665-V667 VanDerWaalsContact C-N 3.3Å; D665-V667 PolarHBondContact O-N 2.91Å; D665-M668 HydrophobicContact CB-CE 4.29Å; D665-M668 WeakPolarHBondContact O-CB 3.48Å; D665-M668 PolarHBondContact O-N 3.4Å; D665-M668 VanDerWaalsContact O-N 3.12Å; D665-M668 WeakPolarHBondContact OD1-CE 3.45Å; D665-D669 PolarHBondContact O-N 3.41Å
666A94.8Very high93.6Very high50 Ų5063.5 Ų63.541%0.41332%0.32SS..Hα-helixtrans-63.2-36.2176.700000112.4R663 R664 R670R663-A666 HydrophobicContact CB-CB 4.24Å; R663-A666 PolarHBondContact O-N 3.34Å; R663-A666 VanDerWaalsContact O-N 3.12Å; R664-A666 PolarHBondContact O-N 3.48Å; A666-R670 WeakPolarHBondContact O-CG 3.15Å; A666-R670 PolarHBondContact O-N 3.4Å
667V96.1Very high93.7Very high1 Ų165 Ų651%0.00633%0.333CS..Hα-helixtrans-70-39.7174.6-177.90000110.7I622 L646 M650 W657 P662 R663 R664 D665 D669 R670 M671I622-V667 HydrophobicContact CG2-CG1 4.38Å; I622-V667 HydrophobicContact CG2-CG2 3.88Å; L646-V667 HydrophobicContact CD1-CG1 4.05Å; L646-V667 HydrophobicContact CD2-CG1 4.19Å; M650-V667 HydrophobicContact CE-CB 3.66Å; M650-V667 HydrophobicContact CE-CG1 3.45Å; M650-V667 VanDerWaalsContact CE-CG1 3.45Å; W657-V667 HydrophobicContact CH2-CG2 4.35Å; W657-V667 HydrophobicContact CZ2-CG2 4.29Å; P662-V667 HydrophobicContact CB-CG2 3.87Å; P662-V667 HydrophobicContact CG-CG2 3.88Å; R663-V667 PolarHBondContact O-N 3.48Å; R663-V667 VanDerWaalsContact O-N 3.14Å; R664-V667 PolarHBondContact O-N 3.24Å; D665-V667 VanDerWaalsContact C-N 3.3Å; D665-V667 PolarHBondContact O-N 2.91Å; V667-D669 VanDerWaalsContact C-N 3.34Å; V667-D669 PolarHBondContact O-N 2.84Å; V667-R670 PolarHBondContact O-N 3.48Å; V667-M671 HydrophobicContact CG1-SD 4.38Å; V667-M671 VanDerWaalsContact O-CG 3.3Å; V667-M671 WeakPolarHBondContact O-CG 3.45Å; V667-M671 PolarHBondContact O-N 3.42Å
668M95.4Very high93.9Very high28 Ų2864.4 Ų64.414%0.13833%0.331CS..Hα-helixtrans-61.8-41.1175.4-69.4-167-63.700112.2M650 R664 D665 M671 W672 V705M650-M668 HydrophobicContact CE-CG 4.3Å; M650-M668 HydrophobicContact CG-CG 4.35Å; M650-M668 HydrophobicContact SD-CG 3.79Å; M650-M668 HydrophobicContact SD-SD 4.49Å; R664-M668 VanDerWaalsContact NH1-CE 3.29Å; R664-M668 PolarHBondContact NH1-SD 3.23Å; R664-M668 WeakPolarHBondContact O-CG 3.38Å; R664-M668 PolarHBondContact O-N 2.98Å; D665-M668 HydrophobicContact CB-CE 4.29Å; D665-M668 WeakPolarHBondContact O-CB 3.48Å; D665-M668 PolarHBondContact O-N 3.4Å; D665-M668 VanDerWaalsContact O-N 3.12Å; D665-M668 WeakPolarHBondContact OD1-CE 3.45Å; M668-M671 WeakPolarHBondContact O-CB 3.4Å; M668-M671 PolarHBondContact O-N 3.28Å; M668-W672 PolarHBondContact O-N 3.03Å; M668-V705 HydrophobicContact CB-CG1 3.9Å; M668-V705 HydrophobicContact CG-CG1 3.68Å; M668-V705 HydrophobicContact SD-CG1 4.11Å
669D95.6Very high94.1Very high103 Ų10363.9 Ų63.955%0.55132%0.32SS*.Hα-helixtrans-61.5-47.2176.9-67.7-22.1000110.9D665 V667 M671 W672 D673D665-D669 PolarHBondContact O-N 3.41Å; V667-D669 VanDerWaalsContact C-N 3.34Å; V667-D669 PolarHBondContact O-N 2.84Å; D669-M671 VanDerWaalsContact C-N 3.31Å; D669-M671 PolarHBondContact O-N 3.25Å; D669-W672 WeakPolarHBondContact O-CB 3.39Å; D669-W672 PolarHBondContact O-N 2.67Å; D669-D673 PolarHBondContact O-N 3.03Å
670R96.9Very high94.1Very high64 Ų6464.6 Ų64.624%0.24233%0.325CS..Hα-helixtrans-61.4-37.9176-70.1-179.274.5-17616.1112.8S626 N627 L629 E630 A666 V667 W672 A674S626-R670 VanDerWaalsContact C-NH1 3.32Å; S626-R670 VanDerWaalsContact CB-NH1 3.34Å; S626-R670 PolarHBondContact O-NH1 3.08Å; S626-R670 PolarHBondContact O-NH2 2.9Å; S626-R670 WeakPolarHBondContact OG-CD 3.25Å; S626-R670 PolarHBondContact OG-NH1 3.07Å; N627-R670 PolarHBondContact OD1-NH1 3.24Å; N627-R670 PolarHBondContact OD1-NH2 3.05Å; N627-R670 VanDerWaalsContact OD1-NH2 3.14Å; L629-R670 HydrophobicContact CD1-CB 3.93Å; E630-R670 IonicContact OE1-CZ 2.94Å; E630-R670 IonicContact OE1-NE 2.75Å; E630-R670 PolarHBondContact OE1-NE 3.41Å; E630-R670 IonicContact OE1-NH2 2.9Å; E630-R670 PolarHBondContact OE1-NH2 2.9Å; A666-R670 WeakPolarHBondContact O-CG 3.15Å; A666-R670 PolarHBondContact O-N 3.4Å; V667-R670 PolarHBondContact O-N 3.48Å; R670-W672 VanDerWaalsContact C-N 3.31Å; R670-A674 WeakPolarHBondContact O-CB 3.26Å; R670-A674 PolarHBondContact O-N 3.08Å
671M97.5Very high94.2Very high0 Ų059.5 Ų59.50%031%0.309CS..Hα-helixtrans-63.8-39.8174.7-72.9172.772.400111.1L629 L646 S647 M650 V667 M668 D669 A674 I675 V705L629-M671 HydrophobicContact CD1-CB 4.36Å; L629-M671 HydrophobicContact CD1-CG 3.7Å; L629-M671 HydrophobicContact CD2-CG 4.33Å; L646-M671 HydrophobicContact CB-CE 3.7Å; L646-M671 HydrophobicContact CB-CG 4.33Å; L646-M671 HydrophobicContact CB-SD 3.58Å; L646-M671 VanDerWaalsContact CB-SD 3.58Å; L646-M671 HydrophobicContact CD1-CG 4Å; L646-M671 HydrophobicContact CD1-SD 4.19Å; L646-M671 HydrophobicContact CG-SD 4.49Å; S647-M671 WeakPolarHBondContact OG-CE 3.34Å; M650-M671 HydrophobicContact CE-SD 4.34Å; M650-M671 HydrophobicContact CG-CE 4.44Å; M650-M671 HydrophobicContact CG-SD 3.89Å; V667-M671 HydrophobicContact CG1-SD 4.38Å; V667-M671 VanDerWaalsContact O-CG 3.3Å; V667-M671 WeakPolarHBondContact O-CG 3.45Å; V667-M671 PolarHBondContact O-N 3.42Å; M668-M671 WeakPolarHBondContact O-CB 3.4Å; M668-M671 PolarHBondContact O-N 3.28Å; D669-M671 VanDerWaalsContact C-N 3.31Å; D669-M671 PolarHBondContact O-N 3.25Å; M671-A674 PolarHBondContact O-N 3.33Å; M671-I675 WeakPolarHBondContact O-CD1 3.49Å; M671-I675 VanDerWaalsContact O-CG1 3.22Å; M671-I675 WeakPolarHBondContact O-CG1 3.38Å; M671-I675 PolarHBondContact O-N 3.42Å; M671-V705 HydrophobicContact CB-CG2 3.48Å; M671-V705 VanDerWaalsContact CB-CG2 3.48Å; M671-V705 HydrophobicContact CE-CG1 4.15Å; M671-V705 HydrophobicContact CE-CG2 4.2Å; M671-V705 HydrophobicContact SD-CG1 4.12Å; M671-V705 HydrophobicContact SD-CG2 4.5Å
672W95.9Very high94.2Very high51 Ų5155.7 Ų55.719%0.19330%0.295CS..Hα-helixtrans-62.9-49.5177.6-160.8-94.6000111.5M668 D669 R670 A674 I675 Q676 V705 H708 Q748M668-W672 PolarHBondContact O-N 3.03Å; D669-W672 WeakPolarHBondContact O-CB 3.39Å; D669-W672 PolarHBondContact O-N 2.67Å; R670-W672 VanDerWaalsContact C-N 3.31Å; W672-A674 VanDerWaalsContact C-N 3.27Å; W672-A674 PolarHBondContact O-N 3.5Å; W672-I675 PolarHBondContact O-N 3.19Å; W672-Q676 WeakPolarHBondContact O-CG 3.4Å; W672-Q676 PolarHBondContact O-N 2.93Å; W672-V705 HydrophobicContact CE3-CB 4.03Å; W672-V705 HydrophobicContact CE3-CG2 3.89Å; W672-V705 HydrophobicContact CZ3-CB 4.49Å; W672-H708 HydrophobicContact CE3-CB 4.21Å; W672-H708 HydrophobicContact CH2-CB 3.82Å; W672-H708 AromaticContact CH2-CD2 3.79Å; W672-H708 AromaticContact CH2-CE1 3.77Å; W672-H708 AromaticContact CH2-CG 3.43Å; W672-H708 VanDerWaalsContact CH2-CG 3.43Å; W672-H708 AromaticContact CH2-ND1 3.42Å; W672-H708 WeakPolarHBondContact CH2-ND1 3.34Å; W672-H708 AromaticContact CZ2-CE1 3.96Å; W672-H708 HydrophobicContact CZ3-CB 3.36Å; W672-H708 AromaticContact CZ3-CD2 3.68Å; W672-H708 AromaticContact CZ3-CG 3.39Å; W672-H708 AromaticContact CZ3-ND1 3.91Å; W672-Q748 HydrophobicContact CH2-CB 4Å; W672-Q748 HydrophobicContact CH2-CG 3.85Å; W672-Q748 HydrophobicContact CZ3-CG 4.5Å
673D95.4Very high93.9Very high103 Ų10364.4 Ų64.455%0.55133%0.325SS*.Hα-helixtrans-56.8-42.5176.5-70.2-20.3000111.6D669 S677D669-D673 PolarHBondContact O-N 3.03Å; D673-S677 WeakPolarHBondContact O-CB 3.39Å; D673-S677 PolarHBondContact O-N 3.09Å; D673-S677 VanDerWaalsContact O-N 3.12Å
674A95.9Very high93.5Very high7 Ų757.2 Ų57.26%0.05830%0.298CS..Hα-helixtrans-63-50.3177.600000112L629 R670 M671 W672 Q676 S677 W678L629-A674 HydrophobicContact CB-CB 3.96Å; L629-A674 HydrophobicContact CD2-CB 4.23Å; R670-A674 WeakPolarHBondContact O-CB 3.26Å; R670-A674 PolarHBondContact O-N 3.08Å; M671-A674 PolarHBondContact O-N 3.33Å; W672-A674 VanDerWaalsContact C-N 3.27Å; W672-A674 PolarHBondContact O-N 3.5Å; A674-Q676 VanDerWaalsContact C-N 3.3Å; A674-Q676 PolarHBondContact O-N 2.98Å; A674-S677 WeakPolarHBondContact O-CB 3.28Å; A674-S677 PolarHBondContact O-N 3.45Å; A674-S677 VanDerWaalsContact O-N 3.07Å; A674-S677 PolarHBondContact O-OG 3.15Å; A674-W678 HydrophobicContact CB-CZ2 4.12Å; A674-W678 VanDerWaalsContact O-CD1 3.29Å; A674-W678 PolarHBondContact O-NE1 3.01Å
675I95.9Very high92.6Very high1 Ų161.4 Ų61.41%0.00532%0.322CS..Hα-helixtrans-61-40.7-179.3-63158.1000111M671 W672 S677 W678 V705 W709 W712M671-I675 WeakPolarHBondContact O-CD1 3.49Å; M671-I675 VanDerWaalsContact O-CG1 3.22Å; M671-I675 WeakPolarHBondContact O-CG1 3.38Å; M671-I675 PolarHBondContact O-N 3.42Å; W672-I675 PolarHBondContact O-N 3.19Å; I675-S677 VanDerWaalsContact C-N 3.25Å; I675-S677 PolarHBondContact O-N 3.34Å; I675-W678 HydrophobicContact CB-CE3 4.34Å; I675-W678 HydrophobicContact CB-CZ3 4.17Å; I675-W678 HydrophobicContact CG1-CE3 4.33Å; I675-W678 HydrophobicContact CG1-CH2 3.84Å; I675-W678 HydrophobicContact CG1-CZ3 3.66Å; I675-W678 HydrophobicContact CG2-CE3 4.38Å; I675-W678 HydrophobicContact CG2-CZ3 4.36Å; I675-W678 PolarHBondContact O-N 2.95Å; I675-V705 HydrophobicContact CD1-CG2 3.96Å; I675-W709 HydrophobicContact CD1-CB 3.76Å; I675-W709 HydrophobicContact CD1-CG 4.48Å; I675-W712 HydrophobicContact CG2-CB 3.95Å; I675-W712 HydrophobicContact CG2-CD2 4.4Å; I675-W712 HydrophobicContact CG2-CG 3.72Å
676Q93.1Very high91.6Very high114 Ų11457.4 Ų57.453%0.53330%0.3SS..Hα-helixtrans-66.7-26.9177.8-72.4-172.1-26.500113.3W672 A674 W678W672-Q676 WeakPolarHBondContact O-CG 3.4Å; W672-Q676 PolarHBondContact O-N 2.93Å; A674-Q676 VanDerWaalsContact C-N 3.3Å; A674-Q676 PolarHBondContact O-N 2.98Å; Q676-W678 VanDerWaalsContact C-N 3.32Å
677S93.1Very high90.8Very high89 Ų8960.2 Ų60.262%0.62231%0.308SS*.Hα-helixtrans-76.6-17.8-18079.60000114D673 A674 I675D673-S677 WeakPolarHBondContact O-CB 3.39Å; D673-S677 PolarHBondContact O-N 3.09Å; D673-S677 VanDerWaalsContact O-N 3.12Å; A674-S677 WeakPolarHBondContact O-CB 3.28Å; A674-S677 PolarHBondContact O-N 3.45Å; A674-S677 VanDerWaalsContact O-N 3.07Å; A674-S677 PolarHBondContact O-OG 3.15Å; I675-S677 VanDerWaalsContact C-N 3.25Å; I675-S677 PolarHBondContact O-N 3.34Å
678W94.8Very high90.2Very high18 Ų1861.9 Ų61.97%0.06832%0.315CS..SBendtrans-82.1138-173.8-58.9-25.3000112.5I636 S639 Y640 C643 A674 I675 Q676 V680 W709 W712I636-W678 HydrophobicContact CB-CG 4.21Å; I636-W678 HydrophobicContact CD1-CB 4.28Å; I636-W678 HydrophobicContact CD1-CG 4.3Å; I636-W678 HydrophobicContact CG2-CB 4.15Å; I636-W678 VanDerWaalsContact CG2-CD1 3.47Å; I636-W678 HydrophobicContact CG2-CG 3.88Å; S639-W678 PolarHBondContact OG-NE1 3.43Å; Y640-W678 HydrophobicContact CD2-CE3 4.49Å; Y640-W678 HydrophobicContact CD2-CH2 4.35Å; Y640-W678 AromaticContact CD2-CZ3 3.97Å; Y640-W678 HydrophobicContact CD2-CZ3 3.97Å; C643-W678 HydrophobicContact CB-CH2 3.57Å; C643-W678 HydrophobicContact CB-CZ2 4.13Å; A674-W678 HydrophobicContact CB-CZ2 4.12Å; A674-W678 VanDerWaalsContact O-CD1 3.29Å; A674-W678 PolarHBondContact O-NE1 3.01Å; I675-W678 HydrophobicContact CB-CE3 4.34Å; I675-W678 HydrophobicContact CB-CZ3 4.17Å; I675-W678 HydrophobicContact CG1-CE3 4.33Å; I675-W678 HydrophobicContact CG1-CH2 3.84Å; I675-W678 HydrophobicContact CG1-CZ3 3.66Å; I675-W678 HydrophobicContact CG2-CE3 4.38Å; I675-W678 HydrophobicContact CG2-CZ3 4.36Å; I675-W678 PolarHBondContact O-N 2.95Å; Q676-W678 VanDerWaalsContact C-N 3.32Å; W678-V680 PolarHBondContact O-N 3.32Å; W678-W709 AromaticContact CZ3-CD1 3.94Å; W678-W712 HydrophobicContact CB-CH2 4.11Å; W678-W712 HydrophobicContact CB-CZ2 3.51Å; W678-W712 HydrophobicContact CD2-CH2 4.46Å; W678-W712 HydrophobicContact CD2-CZ2 4.42Å; W678-W712 AromaticContact CE3-CD2 3.93Å; W678-W712 HydrophobicContact CE3-CD2 3.93Å; W678-W712 AromaticContact CE3-CE2 3.88Å; W678-W712 AromaticContact CE3-CE3 3.83Å; W678-W712 HydrophobicContact CE3-CE3 3.83Å; W678-W712 AromaticContact CE3-CH2 3.82Å; W678-W712 HydrophobicContact CE3-CH2 3.82Å; W678-W712 AromaticContact CE3-CZ2 3.85Å; W678-W712 HydrophobicContact CE3-CZ2 3.85Å; W678-W712 AromaticContact CE3-CZ3 3.79Å; W678-W712 HydrophobicContact CE3-CZ3 3.79Å; W678-W712 HydrophobicContact CG-CZ2 4.36Å; W678-W712 HydrophobicContact CZ3-CD2 4.38Å; W678-W712 HydrophobicContact CZ3-CE3 4.05Å; W678-W712 HydrophobicContact CZ3-CZ3 4.22Å
679D91.7Very high89.6Confident93 Ų9366 Ų6650%0.49733%0.329SS..  trans-76.5122.2168.6179.2-3.5000109.7S681 S682D679-S681 PolarHBondContact O-N 3.11Å; D679-S681 VanDerWaalsContact O-N 3.15Å; D679-S681 WeakPolarHBondContact OD1-CB 3.37Å; D679-S681 PolarHBondContact OD1-N 3.2Å; D679-S681 PolarHBondContact OD1-OG 3.06Å; D679-S681 PolarHBondContact OD2-OG 3.03Å; D679-S682 WeakPolarHBondContact O-CB 3.48Å; D679-S682 PolarHBondContact O-N 3.06Å; D679-S682 PolarHBondContact O-OG 3.42Å
680V90.6Very high89.1Confident38 Ų3862.1 Ų62.123%0.2331%0.31CS..THydrogen-bonded Turntrans-61.2-19.8178.271.50000113.4W678 S682 Y715 N716W678-V680 PolarHBondContact O-N 3.32Å; V680-S682 VanDerWaalsContact C-N 3.31Å; V680-Y715 HydrophobicContact CB-CE1 4.34Å; V680-Y715 HydrophobicContact CG1-CE1 4.44Å; V680-Y715 HydrophobicContact CG2-CD1 3.56Å; V680-Y715 HydrophobicContact CG2-CD2 4.36Å; V680-Y715 HydrophobicContact CG2-CE1 3.61Å; V680-Y715 HydrophobicContact CG2-CE2 4.38Å; V680-Y715 HydrophobicContact CG2-CG 3.93Å; V680-N716 HydrophobicContact CG2-CB 4.26Å; V680-N716 PolarHBondContact O-ND2 3.35Å
681S90.6Very high89Confident72 Ų7259 Ų5950%0.50330%0.298SS..THydrogen-bonded Turntrans-86.7-0.7175.9750000113.7D679 R683D679-S681 PolarHBondContact O-N 3.11Å; D679-S681 VanDerWaalsContact O-N 3.15Å; D679-S681 WeakPolarHBondContact OD1-CB 3.37Å; D679-S681 PolarHBondContact OD1-N 3.2Å; D679-S681 PolarHBondContact OD1-OG 3.06Å; D679-S681 PolarHBondContact OD2-OG 3.03Å; S681-R683 PolarHBondContact O-N 3.4Å
682S90.2Very high88.6Confident28 Ų2863.7 Ų63.720%0.19632%0.32CS..  trans-59.2123.8179.7-61.90000111.5D679 V680 N716D679-S682 WeakPolarHBondContact O-CB 3.48Å; D679-S682 PolarHBondContact O-N 3.06Å; D679-S682 PolarHBondContact O-OG 3.42Å; V680-S682 VanDerWaalsContact C-N 3.31Å; S682-N716 PolarHBondContact O-ND2 3.38Å
683R86.1Confident88.4Confident203 Ų20362 Ų6277%0.76632%0.315SS*.  trans-76.1142.4172.7-66.7-175.7178.7-165.1-1.3110.2S681 V720S681-R683 PolarHBondContact O-N 3.4Å; R683-V720 HydrophobicContact CG-CG1 3.78Å
684R84.7Confident88.3Confident14 Ų1457.2 Ų57.25%0.05329%0.289CS..  trans-132.3143.3179.1-64.6179.6-69.9135.2-8111.8I636 E637 Y640 I686 N716I636-R684 HydrophobicContact CD1-CG 4.33Å; I636-R684 HydrophobicContact CG1-CG 4.2Å; E637-R684 VanDerWaalsContact OE1-C 3.25Å; E637-R684 WeakPolarHBondContact OE1-CA 3.36Å; E637-R684 VanDerWaalsContact OE1-CB 3.26Å; E637-R684 WeakPolarHBondContact OE1-CB 3.21Å; Y640-R684 VanDerWaalsContact CD1-NH1 3.31Å; Y640-R684 PolarHBondContact OH-NH1 3.38Å; Y640-R684 VanDerWaalsContact OH-NH1 3.1Å; R684-I686 PolarHBondContact O-N 3.16Å; R684-I686 VanDerWaalsContact O-N 3.13Å; R684-N716 PolarHBondContact NE-OD1 3.37Å; R684-N716 PolarHBondContact NH2-OD1 3.32Å
685N76Confident88.3Confident110 Ų11057.2 Ų57.259%0.58829%0.289SS*.SBendtrans-85.451.8175-16521.2000110.9E637E637-N685 PolarHBondContact OE1-N 3.46Å
686I72.3Confident88.1Confident18 Ų1863.2 Ų63.29%0.09231%0.311CS..  trans-125.7130177-57.2175.5000108.5Y640 R684 Y688 Y725Y640-I686 HydrophobicContact CD1-CD1 3.91Å; Y640-I686 HydrophobicContact CE1-CD1 3.89Å; R684-I686 PolarHBondContact O-N 3.16Å; R684-I686 VanDerWaalsContact O-N 3.13Å; I686-Y688 HydrophobicContact CB-CE2 4.34Å; I686-Y688 HydrophobicContact CG2-CD2 3.86Å; I686-Y688 HydrophobicContact CG2-CE2 3.49Å; I686-Y688 VanDerWaalsContact CG2-CE2 3.49Å; I686-Y725 PolarHBondContact O-OH 2.99Å
687N78.5Confident88.1Confident109 Ų10957.9 Ų57.958%0.58329%0.286SS*.  trans-115.293.9-179.7-176.411.1000110.3R689 K724N687-R689 PolarHBondContact O-N 3.32Å; N687-K724 PolarHBondContact OD1-NZ 3.26Å
688Y84.2Confident88.1Confident37 Ų3753.6 Ų53.615%0.14526%0.257CS..  trans-72.7123175.7-73-81.5000110.5Y640 I686 F691 I694 L717 Y725Y640-Y688 PolarHBondContact OH-OH 2.97Å; I686-Y688 HydrophobicContact CB-CE2 4.34Å; I686-Y688 HydrophobicContact CG2-CD2 3.86Å; I686-Y688 HydrophobicContact CG2-CE2 3.49Å; I686-Y688 VanDerWaalsContact CG2-CE2 3.49Å; Y688-F691 HydrophobicContact CD1-CD1 4.49Å; Y688-F691 HydrophobicContact CD2-CE1 4.25Å; Y688-F691 HydrophobicContact CG-CD1 4.21Å; Y688-F691 AromaticContact CG-CE1 3.92Å; Y688-F691 HydrophobicContact CG-CE1 3.92Å; Y688-I694 HydrophobicContact CD1-CD1 4.16Å; Y688-I694 HydrophobicContact CE1-CD1 3.7Å; Y688-I694 HydrophobicContact CE1-CG1 4.41Å; Y688-I694 HydrophobicContact CE2-CD1 4.37Å; Y688-L717 HydrophobicContact CD2-CD1 3.71Å; Y688-L717 HydrophobicContact CD2-CD2 3.92Å; Y688-L717 HydrophobicContact CD2-CG 4.49Å; Y688-L717 HydrophobicContact CE2-CD1 3.84Å; Y688-L717 HydrophobicContact CE2-CD2 4.2Å; Y688-Y725 PolarHBondContact N-OH 3.45Å
689R81.8Confident87.6Confident115 Ų11555.9 Ų55.943%0.43427%0.274SS..SBendtrans-87.6-28.3173.1-54.6-179.9-145.6-147-0.7112C516 D564 N687C516-R689 VanDerWaalsContact O-CZ 3.24Å; C516-R689 PolarHBondContact O-NH1 2.85Å; C516-R689 PolarHBondContact O-NH2 3.34Å; D564-R689 IonicContact OD2-CZ 3.81Å; D564-R689 IonicContact OD2-NE 3.9Å; D564-R689 IonicContact OD2-NH2 2.83Å; N687-R689 PolarHBondContact O-N 3.32Å
690S87.1Confident87.3Confident20 Ų2052.4 Ų52.414%0.1425%0.254CS..  trans-141.6145.5178.5172.20000108.7E692 E732S690-E692 VanDerWaalsContact OG-CB 3.31Å; S690-E692 WeakPolarHBondContact OG-CB 3.34Å; S690-E692 PolarHBondContact OG-N 3.09Å; S690-E692 VanDerWaalsContact OG-N 3.1Å; S690-E732 WeakPolarHBondContact CA-OE1 3.34Å
691F93Very high86.8Confident0 Ų052.1 Ų52.10%026%0.259CS..  trans-97.7-1.4168.5-68.5-34.5000113.2Y688 P693 I694 L695 L714 L717 Y725 L728 L729 E732Y688-F691 HydrophobicContact CD1-CD1 4.49Å; Y688-F691 HydrophobicContact CD2-CE1 4.25Å; Y688-F691 HydrophobicContact CG-CD1 4.21Å; Y688-F691 AromaticContact CG-CE1 3.92Å; Y688-F691 HydrophobicContact CG-CE1 3.92Å; F691-P693 VanDerWaalsContact C-CD 3.41Å; F691-P693 VanDerWaalsContact C-N 3.28Å; F691-P693 VanDerWaalsContact O-N 3.13Å; F691-I694 HydrophobicContact CD1-CD1 4.23Å; F691-I694 PolarHBondContact O-N 3.48Å; F691-L695 HydrophobicContact CB-CD1 4.04Å; F691-L695 HydrophobicContact CB-CG 3.96Å; F691-L695 WeakPolarHBondContact O-CB 3.27Å; F691-L695 VanDerWaalsContact O-CG 3.32Å; F691-L695 WeakPolarHBondContact O-CG 3.16Å; F691-L695 PolarHBondContact O-N 3.03Å; F691-L714 HydrophobicContact CD1-CD2 4.34Å; F691-L714 HydrophobicContact CD2-CD2 4.1Å; F691-L714 HydrophobicContact CE2-CD2 4.32Å; F691-L714 HydrophobicContact CG-CD2 4.1Å; F691-L717 HydrophobicContact CD1-CD1 4.5Å; F691-L717 HydrophobicContact CE1-CD1 3.57Å; F691-L717 HydrophobicContact CZ-CB 4.43Å; F691-L717 HydrophobicContact CZ-CD1 3.94Å; F691-Y725 HydrophobicContact CE1-CD1 4.11Å; F691-Y725 HydrophobicContact CE1-CE1 4.48Å; F691-Y725 HydrophobicContact CE2-CD1 4.24Å; F691-Y725 AromaticContact CZ-CD1 3.44Å; F691-Y725 HydrophobicContact CZ-CD1 3.44Å; F691-Y725 VanDerWaalsContact CZ-CD1 3.44Å; F691-Y725 HydrophobicContact CZ-CE1 4.23Å; F691-Y725 AromaticContact CZ-CG 3.75Å; F691-Y725 HydrophobicContact CZ-CG 3.75Å; F691-L728 HydrophobicContact CD2-CD2 4.18Å; F691-L728 HydrophobicContact CD2-CG 4.12Å; F691-L728 HydrophobicContact CE1-CD2 4.44Å; F691-L728 HydrophobicContact CE2-CB 4.23Å; F691-L728 HydrophobicContact CE2-CD2 4.04Å; F691-L728 HydrophobicContact CE2-CG 4.18Å; F691-L728 HydrophobicContact CG-CD2 4.48Å; F691-L728 HydrophobicContact CZ-CD2 4.19Å; F691-L729 HydrophobicContact CD2-CB 3.97Å; F691-L729 HydrophobicContact CD2-CD1 3.86Å; F691-L729 HydrophobicContact CE2-CB 3.93Å; F691-L729 HydrophobicContact CE2-CD1 4.41Å; F691-E732 VanDerWaalsContact CA-OE2 3.28Å; F691-E732 WeakPolarHBondContact CA-OE2 3.24Å; F691-E732 WeakPolarHBondContact CB-OE2 3.48Å; F691-E732 PolarHBondContact N-OE2 3.49Å
692E90.4Very high86.5Confident98 Ų9853.9 Ų53.946%0.45826%0.262SS..Hα-helixtrans-47.9-44.1-178.8-165.5-175.5171.700113.5S690 I694 L695 R696 E732S690-E692 VanDerWaalsContact OG-CB 3.31Å; S690-E692 WeakPolarHBondContact OG-CB 3.34Å; S690-E692 PolarHBondContact OG-N 3.09Å; S690-E692 VanDerWaalsContact OG-N 3.1Å; E692-I694 PolarHBondContact O-N 2.97Å; E692-L695 PolarHBondContact O-N 3.16Å; E692-R696 VanDerWaalsContact O-CG 3.26Å; E692-R696 WeakPolarHBondContact O-CG 3.37Å; E692-R696 PolarHBondContact O-N 2.66Å; E692-R696 IonicContact OE1-CZ 3.08Å; E692-R696 IonicContact OE1-NE 2.91Å; E692-R696 PolarHBondContact OE1-NE 2.84Å; E692-R696 IonicContact OE1-NH2 2.6Å; E692-R696 PolarHBondContact OE1-NH2 3.24Å; E692-R696 IonicContact OE2-NH2 3.16Å; E692-E732 PolarHBondContact N-OE2 3.06Å
693P90.2Very high86.5Confident14 Ų1452.6 Ų52.69%0.09125%0.253CS..Hα-helixtrans-62.8-41.1177.4-22.134.3000114E608 H648 F691E608-P693 HydrophobicContact CG-CB 3.79Å; E608-P693 HydrophobicContact CG-CG 4.44Å; E608-P693 WeakPolarHBondContact OE1-CB 3.31Å; E608-P693 WeakPolarHBondContact OE2-CB 3.23Å; E608-P693 WeakPolarHBondContact OE2-CG 3.26Å; H648-P693 PolarHBondContact CE1-O 3.47Å; F691-P693 VanDerWaalsContact C-CD 3.41Å; F691-P693 VanDerWaalsContact C-N 3.28Å; F691-P693 VanDerWaalsContact O-N 3.13Å
694I94.6Very high86.8Confident3 Ų344.7 Ų44.72%0.01523%0.228CC..Hα-helixtrans-69.1-44.7177.2-64.1174.6000110.1Y688 F691 E692 R696 L697 W709 A710 A713 L714 L717Y688-I694 HydrophobicContact CD1-CD1 4.16Å; Y688-I694 HydrophobicContact CE1-CD1 3.7Å; Y688-I694 HydrophobicContact CE1-CG1 4.41Å; Y688-I694 HydrophobicContact CE2-CD1 4.37Å; F691-I694 HydrophobicContact CD1-CD1 4.23Å; F691-I694 PolarHBondContact O-N 3.48Å; E692-I694 PolarHBondContact O-N 2.97Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.18Å; I694-L697 WeakPolarHBondContact O-CB 3.36Å; I694-L697 PolarHBondContact O-N 2.96Å; I694-W709 HydrophobicContact CG1-CH2 4.45Å; I694-W709 HydrophobicContact CG1-CZ3 4.37Å; I694-A710 HydrophobicContact CG2-CB 3.92Å; I694-A713 HydrophobicContact CD1-CB 4.31Å; I694-L714 HydrophobicContact CG2-CD1 4.39Å; I694-L714 HydrophobicContact CG2-CD2 4.03Å; I694-L714 HydrophobicContact CG2-CG 3.91Å; I694-L717 HydrophobicContact CD1-CD1 4.48Å
695L94.8Very high87.3Confident8 Ų844.2 Ų44.24%0.04223%0.226CC..Hα-helixtrans-61.9-34.6-177.6-71.4-178.6000112.5F691 E692 L697 L698 P699 L714 L729 E732 L737F691-L695 HydrophobicContact CB-CD1 4.04Å; F691-L695 HydrophobicContact CB-CG 3.96Å; F691-L695 WeakPolarHBondContact O-CB 3.27Å; F691-L695 VanDerWaalsContact O-CG 3.32Å; F691-L695 WeakPolarHBondContact O-CG 3.16Å; F691-L695 PolarHBondContact O-N 3.03Å; E692-L695 PolarHBondContact O-N 3.16Å; L695-L697 PolarHBondContact O-N 3.29Å; L695-L698 HydrophobicContact CD2-CD1 3.72Å; L695-L698 PolarHBondContact O-N 3.4Å; L695-L698 VanDerWaalsContact O-N 3.17Å; L695-P699 WeakPolarHBondContact O-CD 3.39Å; L695-L714 HydrophobicContact CD2-CD1 4.01Å; L695-L729 HydrophobicContact CD2-CD1 3.82Å; L695-E732 HydrophobicContact CD1-CB 3.91Å; L695-L737 HydrophobicContact CB-CD1 3.72Å; L695-L737 HydrophobicContact CD1-CD1 4.37Å; L695-L737 HydrophobicContact CD2-CD1 4.11Å; L695-L737 HydrophobicContact CG-CD1 4.27Å
696R92.9Very high88.2Confident126 Ų12639 Ų3948%0.47520%0.198SC..THydrogen-bonded Turntrans-60.1-22.8175.1-74.8170-172.4169.24.4113.4F651 E692 I694F651-R696 WeakPolarHBondContact CE2-O 3.48Å; F651-R696 WeakPolarHBondContact CZ-O 3.47Å; E692-R696 VanDerWaalsContact O-CG 3.26Å; E692-R696 WeakPolarHBondContact O-CG 3.37Å; E692-R696 PolarHBondContact O-N 2.66Å; E692-R696 IonicContact OE1-CZ 3.08Å; E692-R696 IonicContact OE1-NE 2.91Å; E692-R696 PolarHBondContact OE1-NE 2.84Å; E692-R696 IonicContact OE1-NH2 2.6Å; E692-R696 PolarHBondContact OE1-NH2 3.24Å; E692-R696 IonicContact OE2-NH2 3.16Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.18Å
697L93.9Very high89.3Confident2 Ų238.2 Ų38.21%0.0119%0.194CC..THydrogen-bonded Turntrans-83-13.6-179.8-58.3-179.8000113.9F651 I694 L695 Q700 W709 A710F651-L697 HydrophobicContact CB-CD2 3.78Å; F651-L697 HydrophobicContact CD1-CD2 4.5Å; F651-L697 HydrophobicContact CD2-CB 4.47Å; F651-L697 HydrophobicContact CD2-CD2 3.57Å; F651-L697 HydrophobicContact CE2-CD2 4.25Å; F651-L697 HydrophobicContact CG-CD2 3.72Å; I694-L697 WeakPolarHBondContact O-CB 3.36Å; I694-L697 PolarHBondContact O-N 2.96Å; L695-L697 PolarHBondContact O-N 3.29Å; L697-Q700 WeakPolarHBondContact O-CG 3.42Å; L697-Q700 PolarHBondContact O-NE2 3.29Å; L697-W709 HydrophobicContact CD1-CE3 3.85Å; L697-W709 HydrophobicContact CD1-CZ3 3.75Å; L697-A710 HydrophobicContact CB-CB 3.71Å; L697-A710 HydrophobicContact CD1-CB 4.18Å
698L92.9Very high90.2Very high0 Ų033.4 Ų33.40%017%0.168CC..SBendtrans-74.5-48.9-174.8-63.4176.8000114.6L695 Q700 Q707 A710 T711 L714 L737 L738 V741L695-L698 HydrophobicContact CD2-CD1 3.72Å; L695-L698 PolarHBondContact O-N 3.4Å; L695-L698 VanDerWaalsContact O-N 3.17Å; L698-Q700 VanDerWaalsContact C-N 3.28Å; L698-Q700 PolarHBondContact O-N 2.76Å; L698-Q707 PolarHBondContact O-NE2 3.03Å; L698-A710 HydrophobicContact CD2-CB 3.84Å; L698-A710 HydrophobicContact CG-CB 4.48Å; L698-T711 WeakPolarHBondContact CD2-OG1 3.44Å; L698-L714 HydrophobicContact CD1-CD1 3.97Å; L698-L737 HydrophobicContact CB-CB 4.47Å; L698-L737 HydrophobicContact CD1-CB 3.94Å; L698-L738 HydrophobicContact CD1-CD2 4Å; L698-L738 HydrophobicContact CD1-CG 4.29Å; L698-L738 HydrophobicContact CD2-CD2 4.33Å; L698-V741 HydrophobicContact CB-CG2 3.94Å; L698-V741 HydrophobicContact CD2-CG2 4.29Å
699P82.9Confident90.8Very high66 Ų6631.9 Ų31.943%0.42916%0.162SC..SBendtrans-83.962.7-169.235.1-36.7000112.9L695 L737L695-P699 WeakPolarHBondContact O-CD 3.39Å; P699-L737 HydrophobicContact CG-CD2 4.41Å
700Q85.1Confident91.5Very high19 Ų1926.4 Ų26.49%0.08914%0.142CC..  trans-157154.5179.463.485.419.500113F651 L697 L698 A703 Q707F651-Q700 HydrophobicContact CD2-CG 3.71Å; F651-Q700 HydrophobicContact CE2-CB 4.11Å; F651-Q700 HydrophobicContact CE2-CG 3.52Å; L697-Q700 WeakPolarHBondContact O-CG 3.42Å; L697-Q700 PolarHBondContact O-NE2 3.29Å; L698-Q700 VanDerWaalsContact C-N 3.28Å; L698-Q700 PolarHBondContact O-N 2.76Å; Q700-A703 PolarHBondContact NE2-O 3.01Å; Q700-Q707 PolarHBondContact O-NE2 3.19Å
701G79.9Confident91.9Very high32 Ų3225.5 Ų25.533%0.3314%0.135SC..SBendtrans-119.24.8174.300000114.9
702I85.9Confident92.1Very high110 Ų11026 Ų2656%0.56414%0.137SC*.SBendtrans-78.5-27.8-173.7-58.9171.3000111.7
703A90.1Very high92.4Very high0 Ų021.3 Ų21.30%012%0.115CC..  trans-135.481.5-179.100000110.1M650 Q700 V705 S706 Q707M650-A703 HydrophobicContact CB-CB 4.24Å; M650-A703 VanDerWaalsContact O-CB 3.25Å; M650-A703 WeakPolarHBondContact O-CB 3.32Å; Q700-A703 PolarHBondContact NE2-O 3.01Å; A703-V705 VanDerWaalsContact C-N 3.27Å; A703-V705 PolarHBondContact O-N 3.4Å; A703-S706 WeakPolarHBondContact O-CB 3.19Å; A703-S706 PolarHBondContact O-N 2.96Å; A703-Q707 PolarHBondContact O-N 3.44Å
704P92Very high92.7Very high37 Ų3720.7 Ų20.724%0.2411%0.111CC..Hα-helixtrans-55.5-38.3-175.1-28.135.7000113.9S706 Q707 H708 Q748P704-S706 VanDerWaalsContact C-N 3.33Å; P704-S706 PolarHBondContact O-N 3.11Å; P704-Q707 PolarHBondContact O-N 3.45Å; P704-H708 WeakPolarHBondContact O-CB 3.39Å; P704-H708 PolarHBondContact O-N 3.36Å; P704-Q748 HydrophobicContact CB-CG 4.34Å
705V94.7Very high92.7Very high5 Ų522.4 Ų22.43%0.0312%0.118CC..Hα-helixtrans-66.3-32.6178.670.10000113.3M668 M671 W672 I675 A703 H708 W709M668-V705 HydrophobicContact CB-CG1 3.9Å; M668-V705 HydrophobicContact CG-CG1 3.68Å; M668-V705 HydrophobicContact SD-CG1 4.11Å; M671-V705 HydrophobicContact CB-CG2 3.48Å; M671-V705 VanDerWaalsContact CB-CG2 3.48Å; M671-V705 HydrophobicContact CE-CG1 4.15Å; M671-V705 HydrophobicContact CE-CG2 4.2Å; M671-V705 HydrophobicContact SD-CG1 4.12Å; M671-V705 HydrophobicContact SD-CG2 4.5Å; W672-V705 HydrophobicContact CE3-CB 4.03Å; W672-V705 HydrophobicContact CE3-CG2 3.89Å; W672-V705 HydrophobicContact CZ3-CB 4.49Å; I675-V705 HydrophobicContact CD1-CG2 3.96Å; A703-V705 VanDerWaalsContact C-N 3.27Å; A703-V705 PolarHBondContact O-N 3.4Å; V705-H708 PolarHBondContact O-N 3.43Å; V705-W709 PolarHBondContact O-N 3.46Å
706S95.6Very high92.8Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-68.5-44175.9178.20000111.1S647 A703 P704 H708 W709 A710S647-S706 WeakPolarHBondContact O-CB 3.45Å; S647-S706 PolarHBondContact O-OG 3.16Å; A703-S706 WeakPolarHBondContact O-CB 3.19Å; A703-S706 PolarHBondContact O-N 2.96Å; P704-S706 VanDerWaalsContact C-N 3.33Å; P704-S706 PolarHBondContact O-N 3.11Å; S706-H708 VanDerWaalsContact C-N 3.3Å; S706-H708 PolarHBondContact O-N 3.48Å; S706-W709 PolarHBondContact O-N 3.24Å; S706-A710 WeakPolarHBondContact O-CB 3.34Å; S706-A710 PolarHBondContact O-N 3.46Å
707Q95.6Very high92.8Very high1 Ų116.3 Ų16.31%0.00510%0.095CC..Hα-helixtrans-62-39.7173.1-171.9-176.560.900111.3L698 Q700 A703 P704 T711 V741 S747 T751L698-Q707 PolarHBondContact O-NE2 3.03Å; Q700-Q707 PolarHBondContact O-NE2 3.19Å; A703-Q707 PolarHBondContact O-N 3.44Å; P704-Q707 PolarHBondContact O-N 3.45Å; Q707-T711 WeakPolarHBondContact O-CB 3.26Å; Q707-T711 PolarHBondContact O-N 2.7Å; Q707-T711 PolarHBondContact O-OG1 3.13Å; Q707-V741 HydrophobicContact CG-CG1 4.39Å; Q707-V741 HydrophobicContact CG-CG2 4.43Å; Q707-S747 VanDerWaalsContact CD-OG 3.24Å; Q707-S747 PolarHBondContact NE2-OG 2.92Å; Q707-S747 PolarHBondContact OE1-OG 2.85Å; Q707-T751 HydrophobicContact CG-CG2 4.23Å
708H96.3Very high92.8Very high8 Ų816.2 Ų16.24%0.0379%0.094CC..Hα-helixtrans-65.4-47.4178.6-169.574.8000112.1W672 P704 V705 S706 A710 T711 W712 T751 M754W672-H708 HydrophobicContact CE3-CB 4.21Å; W672-H708 HydrophobicContact CH2-CB 3.82Å; W672-H708 AromaticContact CH2-CD2 3.79Å; W672-H708 AromaticContact CH2-CE1 3.77Å; W672-H708 AromaticContact CH2-CG 3.43Å; W672-H708 VanDerWaalsContact CH2-CG 3.43Å; W672-H708 AromaticContact CH2-ND1 3.42Å; W672-H708 WeakPolarHBondContact CH2-ND1 3.34Å; W672-H708 AromaticContact CZ2-CE1 3.96Å; W672-H708 HydrophobicContact CZ3-CB 3.36Å; W672-H708 AromaticContact CZ3-CD2 3.68Å; W672-H708 AromaticContact CZ3-CG 3.39Å; W672-H708 AromaticContact CZ3-ND1 3.91Å; P704-H708 WeakPolarHBondContact O-CB 3.39Å; P704-H708 PolarHBondContact O-N 3.36Å; V705-H708 PolarHBondContact O-N 3.43Å; S706-H708 VanDerWaalsContact C-N 3.3Å; S706-H708 PolarHBondContact O-N 3.48Å; H708-A710 PolarHBondContact O-N 2.88Å; H708-T711 PolarHBondContact O-N 3.1Å; H708-W712 WeakPolarHBondContact O-CB 3.36Å; H708-W712 PolarHBondContact O-N 2.65Å; H708-T751 PolarHBondContact ND1-OG1 3.27Å; H708-M754 WeakPolarHBondContact CE1-CE 3.41Å; H708-M754 WeakPolarHBondContact ND1-CE 3.46Å
709W96.8Very high92.8Very high6 Ų618.2 Ų18.22%0.02311%0.108CC..Hα-helixtrans-58.3-46.7174.9177.984.8000111.8Y640 C643 S647 I675 W678 I694 L697 V705 S706 T711 W712 A713Y640-W709 AromaticContact CD2-NE1 3.85Å; Y640-W709 AromaticContact CE1-CZ2 3.9Å; Y640-W709 HydrophobicContact CE1-CZ2 3.9Å; Y640-W709 AromaticContact CE2-CE2 3.94Å; Y640-W709 AromaticContact CE2-CZ2 3.88Å; Y640-W709 HydrophobicContact CE2-CZ2 3.88Å; Y640-W709 AromaticContact CE2-NE1 3.7Å; Y640-W709 AromaticContact CZ-CZ2 3.46Å; Y640-W709 VanDerWaalsContact CZ-CZ2 3.46Å; C643-W709 VanDerWaalsContact SG-CD1 3.53Å; S647-W709 VanDerWaalsContact OG-CB 3.23Å; S647-W709 WeakPolarHBondContact OG-CB 3.25Å; S647-W709 VanDerWaalsContact OG-CG 3.28Å; I675-W709 HydrophobicContact CD1-CB 3.76Å; I675-W709 HydrophobicContact CD1-CG 4.48Å; W678-W709 AromaticContact CZ3-CD1 3.94Å; I694-W709 HydrophobicContact CG1-CH2 4.45Å; I694-W709 HydrophobicContact CG1-CZ3 4.37Å; L697-W709 HydrophobicContact CD1-CE3 3.85Å; L697-W709 HydrophobicContact CD1-CZ3 3.75Å; V705-W709 PolarHBondContact O-N 3.46Å; S706-W709 PolarHBondContact O-N 3.24Å; W709-T711 VanDerWaalsContact C-N 3.32Å; W709-T711 PolarHBondContact O-N 2.92Å; W709-W712 PolarHBondContact O-N 3.06Å; W709-A713 WeakPolarHBondContact O-CB 3Å; W709-A713 PolarHBondContact O-N 3.29Å
710A96.8Very high93.3Very high0 Ų016.5 Ų16.50%010%0.096CC..Hα-helixtrans-61.1-42.6179.400000111.9I694 L697 L698 S706 H708 A713 L714I694-A710 HydrophobicContact CG2-CB 3.92Å; L697-A710 HydrophobicContact CB-CB 3.71Å; L697-A710 HydrophobicContact CD1-CB 4.18Å; L698-A710 HydrophobicContact CD2-CB 3.84Å; L698-A710 HydrophobicContact CG-CB 4.48Å; S706-A710 WeakPolarHBondContact O-CB 3.34Å; S706-A710 PolarHBondContact O-N 3.46Å; H708-A710 PolarHBondContact O-N 2.88Å; A710-A713 PolarHBondContact O-N 2.81Å; A710-L714 WeakPolarHBondContact O-CG 3.47Å; A710-L714 PolarHBondContact O-N 3.49Å; A710-L714 VanDerWaalsContact O-N 3.16Å
711T96.4Very high93.6Very high0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-67-42177-51.50000111.4L698 Q707 H708 W709 L714 Y715 L738 T751 M754 A755L698-T711 WeakPolarHBondContact CD2-OG1 3.44Å; Q707-T711 WeakPolarHBondContact O-CB 3.26Å; Q707-T711 PolarHBondContact O-N 2.7Å; Q707-T711 PolarHBondContact O-OG1 3.13Å; H708-T711 PolarHBondContact O-N 3.1Å; W709-T711 VanDerWaalsContact C-N 3.32Å; W709-T711 PolarHBondContact O-N 2.92Å; T711-L714 PolarHBondContact O-N 3.02Å; T711-Y715 WeakPolarHBondContact O-CB 2.97Å; T711-Y715 PolarHBondContact O-N 3.35Å; T711-L738 HydrophobicContact CG2-CD2 4.25Å; T711-T751 HydrophobicContact CG2-CG2 4.15Å; T711-T751 WeakPolarHBondContact OG1-CG2 3.15Å; T711-M754 HydrophobicContact CG2-CB 3.77Å; T711-M754 HydrophobicContact CG2-CE 4.42Å; T711-A755 HydrophobicContact CG2-CB 3.95Å
712W96.5Very high94.2Very high11 Ų1120 Ų204%0.04210%0.104CC..Hα-helixtrans-62.4-43.9175.7-173.7101.2000111.6I636 Y640 I675 W678 H708 W709 L714 Y715 N716 M754I636-W712 HydrophobicContact CD1-CH2 3.52Å; I636-W712 HydrophobicContact CD1-CZ2 4.34Å; I636-W712 HydrophobicContact CD1-CZ3 4.31Å; Y640-W712 HydrophobicContact CD2-CE3 4.24Å; Y640-W712 AromaticContact CD2-CZ3 3.7Å; Y640-W712 HydrophobicContact CD2-CZ3 3.7Å; Y640-W712 HydrophobicContact CE2-CE3 4.1Å; Y640-W712 AromaticContact CE2-CZ3 3.8Å; Y640-W712 HydrophobicContact CE2-CZ3 3.8Å; I675-W712 HydrophobicContact CG2-CB 3.95Å; I675-W712 HydrophobicContact CG2-CD2 4.4Å; I675-W712 HydrophobicContact CG2-CG 3.72Å; W678-W712 HydrophobicContact CB-CH2 4.11Å; W678-W712 HydrophobicContact CB-CZ2 3.51Å; W678-W712 HydrophobicContact CD2-CH2 4.46Å; W678-W712 HydrophobicContact CD2-CZ2 4.42Å; W678-W712 AromaticContact CE3-CD2 3.93Å; W678-W712 HydrophobicContact CE3-CD2 3.93Å; W678-W712 AromaticContact CE3-CE2 3.88Å; W678-W712 AromaticContact CE3-CE3 3.83Å; W678-W712 HydrophobicContact CE3-CE3 3.83Å; W678-W712 AromaticContact CE3-CH2 3.82Å; W678-W712 HydrophobicContact CE3-CH2 3.82Å; W678-W712 AromaticContact CE3-CZ2 3.85Å; W678-W712 HydrophobicContact CE3-CZ2 3.85Å; W678-W712 AromaticContact CE3-CZ3 3.79Å; W678-W712 HydrophobicContact CE3-CZ3 3.79Å; W678-W712 HydrophobicContact CG-CZ2 4.36Å; W678-W712 HydrophobicContact CZ3-CD2 4.38Å; W678-W712 HydrophobicContact CZ3-CE3 4.05Å; W678-W712 HydrophobicContact CZ3-CZ3 4.22Å; H708-W712 WeakPolarHBondContact O-CB 3.36Å; H708-W712 PolarHBondContact O-N 2.65Å; W709-W712 PolarHBondContact O-N 3.06Å; W712-L714 PolarHBondContact O-N 2.76Å; W712-Y715 PolarHBondContact O-N 3.12Å; W712-Y715 VanDerWaalsContact O-N 3.11Å; W712-N716 HydrophobicContact CE3-CB 4.13Å; W712-N716 HydrophobicContact CH2-CB 3.72Å; W712-N716 HydrophobicContact CZ2-CB 4.23Å; W712-N716 HydrophobicContact CZ3-CB 3.68Å; W712-N716 PolarHBondContact O-N 3.33Å; W712-M754 HydrophobicContact CB-CE 3.91Å; W712-M754 HydrophobicContact CB-SD 3.88Å; W712-M754 HydrophobicContact CG-SD 4.1Å
713A95.8Very high94.4Very high0 Ų019.1 Ų19.10%011%0.108CC..Hα-helixtrans-58-48.1178.700000111.1Y640 I694 W709 A710 L717Y640-A713 HydrophobicContact CE2-CB 3.98Å; Y640-A713 WeakPolarHBondContact OH-CB 3.26Å; I694-A713 HydrophobicContact CD1-CB 4.31Å; W709-A713 WeakPolarHBondContact O-CB 3Å; W709-A713 PolarHBondContact O-N 3.29Å; A710-A713 PolarHBondContact O-N 2.81Å; A713-L717 WeakPolarHBondContact O-CB 3.41Å; A713-L717 WeakPolarHBondContact O-CD1 3.47Å; A713-L717 WeakPolarHBondContact O-CG 3.3Å; A713-L717 PolarHBondContact O-N 3.5Å
714L96.4Very high94.4Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-60.1-45.7174-66.7177.9000111.3F691 I694 L695 L698 A710 T711 W712 N716 L717 V718 L729 L738 V758F691-L714 HydrophobicContact CD1-CD2 4.34Å; F691-L714 HydrophobicContact CD2-CD2 4.1Å; F691-L714 HydrophobicContact CE2-CD2 4.32Å; F691-L714 HydrophobicContact CG-CD2 4.1Å; I694-L714 HydrophobicContact CG2-CD1 4.39Å; I694-L714 HydrophobicContact CG2-CD2 4.03Å; I694-L714 HydrophobicContact CG2-CG 3.91Å; L695-L714 HydrophobicContact CD2-CD1 4.01Å; L698-L714 HydrophobicContact CD1-CD1 3.97Å; A710-L714 WeakPolarHBondContact O-CG 3.47Å; A710-L714 PolarHBondContact O-N 3.49Å; A710-L714 VanDerWaalsContact O-N 3.16Å; T711-L714 PolarHBondContact O-N 3.02Å; W712-L714 PolarHBondContact O-N 2.76Å; L714-N716 PolarHBondContact O-N 3.32Å; L714-L717 PolarHBondContact O-N 2.91Å; L714-V718 WeakPolarHBondContact O-CG2 3.42Å; L714-V718 PolarHBondContact O-N 3.01Å; L714-L729 HydrophobicContact CD1-CD1 4.03Å; L714-L729 HydrophobicContact CD2-CD1 3.75Å; L714-L729 HydrophobicContact CD2-CD2 4.49Å; L714-L729 HydrophobicContact CG-CD1 4.48Å; L714-L738 HydrophobicContact CD1-CD2 4.33Å; L714-V758 HydrophobicContact CB-CG1 4.44Å; L714-V758 HydrophobicContact CB-CG2 4.46Å
715Y96.1Very high94.5Very high39 Ų3922.2 Ų22.215%0.15312%0.118CC..Hα-helixtrans-61.1-45.6-179.2-176.7-149.3000112.8V680 T711 W712 V718 S719 M754 K757 V758V680-Y715 HydrophobicContact CB-CE1 4.34Å; V680-Y715 HydrophobicContact CG1-CE1 4.44Å; V680-Y715 HydrophobicContact CG2-CD1 3.56Å; V680-Y715 HydrophobicContact CG2-CD2 4.36Å; V680-Y715 HydrophobicContact CG2-CE1 3.61Å; V680-Y715 HydrophobicContact CG2-CE2 4.38Å; V680-Y715 HydrophobicContact CG2-CG 3.93Å; T711-Y715 WeakPolarHBondContact O-CB 2.97Å; T711-Y715 PolarHBondContact O-N 3.35Å; W712-Y715 PolarHBondContact O-N 3.12Å; W712-Y715 VanDerWaalsContact O-N 3.11Å; Y715-V718 WeakPolarHBondContact O-CG2 3.35Å; Y715-S719 WeakPolarHBondContact CD2-OG 3.16Å; Y715-S719 VanDerWaalsContact CE2-OG 3.24Å; Y715-S719 WeakPolarHBondContact CE2-OG 3.48Å; Y715-S719 VanDerWaalsContact O-CB 3.23Å; Y715-S719 WeakPolarHBondContact O-CB 3.39Å; Y715-S719 PolarHBondContact O-N 3.49Å; Y715-S719 PolarHBondContact O-OG 3.23Å; Y715-M754 HydrophobicContact CD1-CB 4.05Å; Y715-M754 HydrophobicContact CD1-CG 3.75Å; Y715-M754 HydrophobicContact CD1-SD 4.02Å; Y715-M754 HydrophobicContact CE1-CG 4.28Å; Y715-M754 HydrophobicContact CG-CB 4.47Å; Y715-K757 HydrophobicContact CD2-CB 4.13Å; Y715-K757 HydrophobicContact CE1-CD 4Å; Y715-K757 HydrophobicContact CE2-CB 3.69Å; Y715-K757 HydrophobicContact CE2-CD 4.12Å; Y715-K757 VanDerWaalsContact OH-CD 3.29Å; Y715-K757 WeakPolarHBondContact OH-CD 3.47Å; Y715-V758 VanDerWaalsContact CA-CG2 3.43Å; Y715-V758 HydrophobicContact CD2-CG2 4.08Å; Y715-V758 HydrophobicContact CG-CG2 4.11Å
716N95.5Very high94.5Very high3 Ų322 Ų222%0.01612%0.116CC..Hα-helixtrans-60.8-47.3173.7169.8-99.1000111.5V680 S682 R684 W712 L714 V718 S719 V720V680-N716 HydrophobicContact CG2-CB 4.26Å; V680-N716 PolarHBondContact O-ND2 3.35Å; S682-N716 PolarHBondContact O-ND2 3.38Å; R684-N716 PolarHBondContact NE-OD1 3.37Å; R684-N716 PolarHBondContact NH2-OD1 3.32Å; W712-N716 HydrophobicContact CE3-CB 4.13Å; W712-N716 HydrophobicContact CH2-CB 3.72Å; W712-N716 HydrophobicContact CZ2-CB 4.23Å; W712-N716 HydrophobicContact CZ3-CB 3.68Å; W712-N716 PolarHBondContact O-N 3.33Å; L714-N716 PolarHBondContact O-N 3.32Å; N716-V718 PolarHBondContact O-N 3.12Å; N716-S719 PolarHBondContact O-N 3.12Å; N716-V720 WeakPolarHBondContact O-CB 3.06Å; N716-V720 VanDerWaalsContact O-CG2 3.29Å; N716-V720 WeakPolarHBondContact O-CG2 3.47Å; N716-V720 PolarHBondContact O-N 2.97Å
717L94.4Very high94.4Very high4 Ų424.6 Ų24.62%0.02113%0.133CC..Hα-helixtrans-62.4-46.5-176.9-71.9163.5000112.5Y688 F691 I694 A713 L714 S719 Y721 Y725Y688-L717 HydrophobicContact CD2-CD1 3.71Å; Y688-L717 HydrophobicContact CD2-CD2 3.92Å; Y688-L717 HydrophobicContact CD2-CG 4.49Å; Y688-L717 HydrophobicContact CE2-CD1 3.84Å; Y688-L717 HydrophobicContact CE2-CD2 4.2Å; F691-L717 HydrophobicContact CD1-CD1 4.5Å; F691-L717 HydrophobicContact CE1-CD1 3.57Å; F691-L717 HydrophobicContact CZ-CB 4.43Å; F691-L717 HydrophobicContact CZ-CD1 3.94Å; I694-L717 HydrophobicContact CD1-CD1 4.48Å; A713-L717 WeakPolarHBondContact O-CB 3.41Å; A713-L717 WeakPolarHBondContact O-CD1 3.47Å; A713-L717 WeakPolarHBondContact O-CG 3.3Å; A713-L717 PolarHBondContact O-N 3.5Å; L714-L717 PolarHBondContact O-N 2.91Å; L717-S719 VanDerWaalsContact C-N 3.29Å; L717-S719 PolarHBondContact O-N 2.98Å; L717-Y721 CarbonylContact O-C 3.51Å; L717-Y721 PolarHBondContact O-N 2.94Å; L717-Y725 HydrophobicContact CB-CD2 3.79Å; L717-Y725 HydrophobicContact CB-CE2 4.4Å; L717-Y725 HydrophobicContact CB-CG 4.19Å; L717-Y725 HydrophobicContact CD2-CD2 3.84Å; L717-Y725 HydrophobicContact CD2-CE2 3.53Å; L717-Y725 HydrophobicContact CG-CD2 4.4Å
718V93.6Very high94.3Very high0 Ų026.1 Ų26.10%014%0.141CC..Hα-helixtrans-70.6-26.5177.2-59.10000112.5L714 Y715 N716 P722 L729 V758 Q761L714-V718 WeakPolarHBondContact O-CG2 3.42Å; L714-V718 PolarHBondContact O-N 3.01Å; Y715-V718 WeakPolarHBondContact O-CG2 3.35Å; N716-V718 PolarHBondContact O-N 3.12Å; V718-P722 WeakPolarHBondContact O-CA 3.37Å; V718-P722 WeakPolarHBondContact O-CB 3.44Å; V718-P722 WeakPolarHBondContact O-CD 3.35Å; V718-L729 HydrophobicContact CG1-CD2 4.15Å; V718-V758 HydrophobicContact CG1-CG1 4.33Å; V718-V758 HydrophobicContact CG2-CB 4.42Å; V718-V758 HydrophobicContact CG2-CG1 4.02Å; V718-V758 HydrophobicContact CG2-CG2 4.34Å; V718-Q761 HydrophobicContact CG2-CB 4.18Å
719S92.5Very high94.2Very high42 Ų4225.7 Ų25.729%0.29414%0.139SC..Hα-helixtrans-75.6-39.7176.8-60.60000112.3Y715 N716 L717Y715-S719 WeakPolarHBondContact CD2-OG 3.16Å; Y715-S719 VanDerWaalsContact CE2-OG 3.24Å; Y715-S719 WeakPolarHBondContact CE2-OG 3.48Å; Y715-S719 VanDerWaalsContact O-CB 3.23Å; Y715-S719 WeakPolarHBondContact O-CB 3.39Å; Y715-S719 PolarHBondContact O-N 3.49Å; Y715-S719 PolarHBondContact O-OG 3.23Å; N716-S719 PolarHBondContact O-N 3.12Å; L717-S719 VanDerWaalsContact C-N 3.29Å; L717-S719 PolarHBondContact O-N 2.98Å
720V92.6Very high94.1Very high29 Ų2928.1 Ų28.118%0.17615%0.152CC..Hα-helixtrans-85.2-38-175.3-179.10000111.9R683 N716 P722R683-V720 HydrophobicContact CG-CG1 3.78Å; N716-V720 WeakPolarHBondContact O-CB 3.06Å; N716-V720 VanDerWaalsContact O-CG2 3.29Å; N716-V720 WeakPolarHBondContact O-CG2 3.47Å; N716-V720 PolarHBondContact O-N 2.97Å; V720-P722 VanDerWaalsContact C-CD 3.5Å
721Y91.8Very high93.9Very high85 Ų8536.7 Ų36.733%0.33319%0.189SC..SBendtrans-133.161.7-179.3-51.8-78.1000111.9L717 S723 K724 Y725L717-Y721 CarbonylContact O-C 3.51Å; L717-Y721 PolarHBondContact O-N 2.94Å; Y721-S723 PolarHBondContact O-N 3.47Å; Y721-K724 PolarHBondContact O-N 3.4Å; Y721-K724 VanDerWaalsContact O-N 3.16Å; Y721-Y725 HydrophobicContact CD2-CD2 4.24Å; Y721-Y725 AromaticContact CD2-CE2 3.78Å; Y721-Y725 HydrophobicContact CD2-CE2 3.78Å; Y721-Y725 HydrophobicContact CG-CD2 4.42Å; Y721-Y725 HydrophobicContact CG-CE2 4.18Å; Y721-Y725 PolarHBondContact O-N 3.26Å
722P91.9Very high93.8Very high39 Ų3939.6 Ų39.625%0.25320%0.203SC..Hα-helixtrans-57.6-44.3-17318.9-31000113.1V718 V720 K724 Y725 C726 F765V718-P722 WeakPolarHBondContact O-CA 3.37Å; V718-P722 WeakPolarHBondContact O-CB 3.44Å; V718-P722 WeakPolarHBondContact O-CD 3.35Å; V720-P722 VanDerWaalsContact C-CD 3.5Å; P722-K724 PolarHBondContact O-N 3.24Å; P722-K724 VanDerWaalsContact O-N 3.16Å; P722-Y725 PolarHBondContact O-N 3.14Å; P722-C726 WeakPolarHBondContact O-CB 3.45Å; P722-C726 PolarHBondContact O-N 2.79Å; P722-C726 PolarHBondContact O-SG 2.98Å; P722-C726 VanDerWaalsContact O-SG 3.38Å; P722-F765 HydrophobicContact CB-CE2 3.85Å; P722-F765 HydrophobicContact CB-CZ 3.8Å
723S91.3Very high93.7Very high93 Ų9340.5 Ų40.565%0.6522%0.215SC*.Hα-helixtrans-61.3-27.3-178.4560000114.1Y721 P727Y721-S723 PolarHBondContact O-N 3.47Å; S723-P727 WeakPolarHBondContact O-CG 3.44Å
724K90.4Very high93.6Very high98 Ų9840.5 Ų40.543%0.42622%0.215SC..Hα-helixtrans-91.2-48.6179.6-177.4-178.5176.9-170.30111.8N687 Y721 P722N687-K724 PolarHBondContact OD1-NZ 3.26Å; Y721-K724 PolarHBondContact O-N 3.4Å; Y721-K724 VanDerWaalsContact O-N 3.16Å; P722-K724 PolarHBondContact O-N 3.24Å; P722-K724 VanDerWaalsContact O-N 3.16Å
725Y94.4Very high93.5Very high4 Ų441 Ų412%0.01622%0.219CC..Hα-helixtrans-95.3-24.4-166.4-68-48.9000114.2I686 Y688 F691 L717 Y721 P722 L728 L729I686-Y725 PolarHBondContact O-OH 2.99Å; Y688-Y725 PolarHBondContact N-OH 3.45Å; F691-Y725 HydrophobicContact CE1-CD1 4.11Å; F691-Y725 HydrophobicContact CE1-CE1 4.48Å; F691-Y725 HydrophobicContact CE2-CD1 4.24Å; F691-Y725 AromaticContact CZ-CD1 3.44Å; F691-Y725 HydrophobicContact CZ-CD1 3.44Å; F691-Y725 VanDerWaalsContact CZ-CD1 3.44Å; F691-Y725 HydrophobicContact CZ-CE1 4.23Å; F691-Y725 AromaticContact CZ-CG 3.75Å; F691-Y725 HydrophobicContact CZ-CG 3.75Å; L717-Y725 HydrophobicContact CB-CD2 3.79Å; L717-Y725 HydrophobicContact CB-CE2 4.4Å; L717-Y725 HydrophobicContact CB-CG 4.19Å; L717-Y725 HydrophobicContact CD2-CD2 3.84Å; L717-Y725 HydrophobicContact CD2-CE2 3.53Å; L717-Y725 HydrophobicContact CG-CD2 4.4Å; Y721-Y725 HydrophobicContact CD2-CD2 4.24Å; Y721-Y725 AromaticContact CD2-CE2 3.78Å; Y721-Y725 HydrophobicContact CD2-CE2 3.78Å; Y721-Y725 HydrophobicContact CG-CD2 4.42Å; Y721-Y725 HydrophobicContact CG-CE2 4.18Å; Y721-Y725 PolarHBondContact O-N 3.26Å; P722-Y725 PolarHBondContact O-N 3.14Å; Y725-L728 HydrophobicContact CD1-CD2 4.16Å; Y725-L728 PolarHBondContact O-N 3.21Å; Y725-L729 WeakPolarHBondContact O-CB 3.27Å; Y725-L729 PolarHBondContact O-N 3.37Å
726C94.4Very high93.4Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-61.4-48.9172.1-650000111.7P722 L728 L729 I730 F765P722-C726 WeakPolarHBondContact O-CB 3.45Å; P722-C726 PolarHBondContact O-N 2.79Å; P722-C726 PolarHBondContact O-SG 2.98Å; P722-C726 VanDerWaalsContact O-SG 3.38Å; C726-L728 VanDerWaalsContact C-N 3.34Å; C726-L728 PolarHBondContact O-N 3.37Å; C726-L729 PolarHBondContact O-N 3.11Å; C726-I730 VanDerWaalsContact O-CG1 3.3Å; C726-I730 WeakPolarHBondContact O-CG1 3.49Å; C726-I730 PolarHBondContact O-N 3.3Å; C726-F765 HydrophobicContact CB-CB 4.07Å; C726-F765 HydrophobicContact CB-CD1 4.36Å; C726-F765 HydrophobicContact CB-CD2 3.53Å; C726-F765 HydrophobicContact CB-CE2 4.04Å; C726-F765 HydrophobicContact CB-CG 3.71Å
727P93.2Very high93.3Very high55 Ų5543.9 Ų43.936%0.35724%0.242SC..Hα-helixtrans-61.4-40.2177.1-24.535.7000113.1S723 I730 K731 F765S723-P727 WeakPolarHBondContact O-CG 3.44Å; P727-I730 PolarHBondContact O-N 3.37Å; P727-K731 VanDerWaalsContact O-CB 3.28Å; P727-K731 WeakPolarHBondContact O-CB 3.16Å; P727-K731 PolarHBondContact O-N 3.24Å; P727-F765 HydrophobicContact CG-CD1 4.27Å
728L93.2Very high93.4Very high32 Ų3243.7 Ų43.717%0.16824%0.241CC..Hα-helixtrans-62-46.8177.6-175.262.8000111.3F691 Y725 C726 I730 K731 E732F691-L728 HydrophobicContact CD2-CD2 4.18Å; F691-L728 HydrophobicContact CD2-CG 4.12Å; F691-L728 HydrophobicContact CE1-CD2 4.44Å; F691-L728 HydrophobicContact CE2-CB 4.23Å; F691-L728 HydrophobicContact CE2-CD2 4.04Å; F691-L728 HydrophobicContact CE2-CG 4.18Å; F691-L728 HydrophobicContact CG-CD2 4.48Å; F691-L728 HydrophobicContact CZ-CD2 4.19Å; Y725-L728 HydrophobicContact CD1-CD2 4.16Å; Y725-L728 PolarHBondContact O-N 3.21Å; C726-L728 VanDerWaalsContact C-N 3.34Å; C726-L728 PolarHBondContact O-N 3.37Å; L728-I730 VanDerWaalsContact C-N 3.35Å; L728-I730 PolarHBondContact O-N 3.29Å; L728-K731 PolarHBondContact O-N 3.31Å; L728-E732 HydrophobicContact CD1-CG 4.42Å; L728-E732 WeakPolarHBondContact CD1-OE1 3.06Å; L728-E732 PolarHBondContact O-N 3.39Å
729L94.9Very high93.4Very high0 Ų047.7 Ų47.70%026%0.259CS..Hα-helixtrans-62-40.8179.2-175.160.9000112.8F691 L695 L714 V718 Y725 C726 G733 G734 L738 V758F691-L729 HydrophobicContact CD2-CB 3.97Å; F691-L729 HydrophobicContact CD2-CD1 3.86Å; F691-L729 HydrophobicContact CE2-CB 3.93Å; F691-L729 HydrophobicContact CE2-CD1 4.41Å; L695-L729 HydrophobicContact CD2-CD1 3.82Å; L714-L729 HydrophobicContact CD1-CD1 4.03Å; L714-L729 HydrophobicContact CD2-CD1 3.75Å; L714-L729 HydrophobicContact CD2-CD2 4.49Å; L714-L729 HydrophobicContact CG-CD1 4.48Å; V718-L729 HydrophobicContact CG1-CD2 4.15Å; Y725-L729 WeakPolarHBondContact O-CB 3.27Å; Y725-L729 PolarHBondContact O-N 3.37Å; C726-L729 PolarHBondContact O-N 3.11Å; L729-G733 PolarHBondContact O-N 3.02Å; L729-G734 PolarHBondContact O-N 3.39Å; L729-L738 HydrophobicContact CD2-CD1 4.38Å; L729-V758 HydrophobicContact CD2-CG1 3.47Å; L729-V758 VanDerWaalsContact CD2-CG1 3.47Å
730I93.3Very high93.4Very high56 Ų5650.8 Ų50.829%0.28727%0.268SS..Hα-helixtrans-65.1-48.2176.1-66.1164.4000110.1C726 P727 L728 E732 G733 V735 C762 F765 K766C726-I730 VanDerWaalsContact O-CG1 3.3Å; C726-I730 WeakPolarHBondContact O-CG1 3.49Å; C726-I730 PolarHBondContact O-N 3.3Å; P727-I730 PolarHBondContact O-N 3.37Å; L728-I730 VanDerWaalsContact C-N 3.35Å; L728-I730 PolarHBondContact O-N 3.29Å; I730-E732 VanDerWaalsContact C-N 3.25Å; I730-E732 PolarHBondContact O-N 2.99Å; I730-G733 PolarHBondContact O-N 3.38Å; I730-V735 HydrophobicContact CG1-CG2 4.01Å; I730-C762 HydrophobicContact CD1-CB 4.12Å; I730-C762 HydrophobicContact CG1-CB 4.18Å; I730-F765 HydrophobicContact CD1-CB 4.2Å; I730-K766 HydrophobicContact CD1-CG 4.22Å
731K93.3Very high93.4Very high181 Ų18149.4 Ų49.479%0.78726%0.259SS*.Hα-helixtrans-58.4-37.2-178.6-177.2-176.4175.5-1710112.3P727 L728 G733P727-K731 VanDerWaalsContact O-CB 3.28Å; P727-K731 WeakPolarHBondContact O-CB 3.16Å; P727-K731 PolarHBondContact O-N 3.24Å; L728-K731 PolarHBondContact O-N 3.31Å; K731-G733 VanDerWaalsContact C-N 3.29Å; K731-G733 PolarHBondContact O-N 2.86Å
732E94.1Very high93.5Very high61 Ų6147.6 Ų47.629%0.28526%0.255SS..THydrogen-bonded Turntrans-88.310.1179.9-65.9-175.6-173.600113.9S690 F691 E692 L695 L728 I730 G734S690-E732 WeakPolarHBondContact CA-OE1 3.34Å; F691-E732 VanDerWaalsContact CA-OE2 3.28Å; F691-E732 WeakPolarHBondContact CA-OE2 3.24Å; F691-E732 WeakPolarHBondContact CB-OE2 3.48Å; F691-E732 PolarHBondContact N-OE2 3.49Å; E692-E732 PolarHBondContact N-OE2 3.06Å; L695-E732 HydrophobicContact CD1-CB 3.91Å; L728-E732 HydrophobicContact CD1-CG 4.42Å; L728-E732 WeakPolarHBondContact CD1-OE1 3.06Å; L728-E732 PolarHBondContact O-N 3.39Å; I730-E732 VanDerWaalsContact C-N 3.25Å; I730-E732 PolarHBondContact O-N 2.99Å; E732-G734 VanDerWaalsContact C-N 3.28Å; E732-G734 PolarHBondContact O-N 3.17Å
733G94.3Very high93.5Very high29 Ų2953 Ų5330%0.29928%0.277SS..THydrogen-bonded Turntrans72.419175.400000114.3L729 I730 K731 V735 S736 L737L729-G733 PolarHBondContact O-N 3.02Å; I730-G733 PolarHBondContact O-N 3.38Å; K731-G733 VanDerWaalsContact C-N 3.29Å; K731-G733 PolarHBondContact O-N 2.86Å; G733-V735 VanDerWaalsContact C-N 3.29Å; G733-V735 PolarHBondContact O-N 3.11Å; G733-S736 PolarHBondContact O-N 3.02Å; G733-L737 PolarHBondContact O-N 3.03Å
734G94.6Very high93.5Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-64.9-30.8-177.800000113.8L729 E732 S736 L737 L738L729-G734 PolarHBondContact O-N 3.39Å; E732-G734 VanDerWaalsContact C-N 3.28Å; E732-G734 PolarHBondContact O-N 3.17Å; G734-S736 PolarHBondContact O-N 3.35Å; G734-L737 PolarHBondContact O-N 3.02Å; G734-L737 VanDerWaalsContact O-N 3.14Å; G734-L738 WeakPolarHBondContact O-CG 3.24Å; G734-L738 PolarHBondContact O-N 3.34Å
735V93.5Very high93.3Very high12 Ų1254.2 Ų54.27%0.07328%0.28CS..Hα-helixtrans-59.7-46.5175.8-179.40000111.1I730 G733 L737 L738 E739 M759 C762I730-V735 HydrophobicContact CG1-CG2 4.01Å; G733-V735 VanDerWaalsContact C-N 3.29Å; G733-V735 PolarHBondContact O-N 3.11Å; V735-L737 PolarHBondContact O-N 2.78Å; V735-L738 PolarHBondContact O-N 2.94Å; V735-L738 VanDerWaalsContact O-N 3.16Å; V735-E739 PolarHBondContact O-N 3.37Å; V735-M759 HydrophobicContact CG1-CE 4.02Å; V735-M759 HydrophobicContact CG1-CG 4.38Å; V735-C762 HydrophobicContact CG2-CB 4.39Å
736S93.7Very high93.1Very high66 Ų6656.9 Ų56.946%0.46230%0.3SS..Hα-helixtrans-64.9-27177.5-52.10000113G733 G734G733-S736 PolarHBondContact O-N 3.02Å; G734-S736 PolarHBondContact O-N 3.35Å
737L95.1Very high92.9Very high36 Ų3657.2 Ų57.219%0.18830%0.302CS..Hα-helixtrans-76.5-37.4174.9-67.7173.8000111.6L695 L698 P699 G733 G734 V735 K740 V741L695-L737 HydrophobicContact CB-CD1 3.72Å; L695-L737 HydrophobicContact CD1-CD1 4.37Å; L695-L737 HydrophobicContact CD2-CD1 4.11Å; L695-L737 HydrophobicContact CG-CD1 4.27Å; L698-L737 HydrophobicContact CB-CB 4.47Å; L698-L737 HydrophobicContact CD1-CB 3.94Å; P699-L737 HydrophobicContact CG-CD2 4.41Å; G733-L737 PolarHBondContact O-N 3.03Å; G734-L737 PolarHBondContact O-N 3.02Å; G734-L737 VanDerWaalsContact O-N 3.14Å; V735-L737 PolarHBondContact O-N 2.78Å; L737-K740 HydrophobicContact CD2-CD 4.45Å; L737-K740 WeakPolarHBondContact O-CB 3.48Å; L737-K740 PolarHBondContact O-N 3.33Å; L737-V741 WeakPolarHBondContact O-CG2 3.41Å; L737-V741 PolarHBondContact O-N 2.67Å
738L95.3Very high92.9Very high0 Ų058.4 Ų58.40%030%0.302CS..Hα-helixtrans-66.3-36174.2-69.1169.1000112L698 T711 L714 L729 G734 V735 K740 V741 L742 A755 V758 M759L698-L738 HydrophobicContact CD1-CD2 4Å; L698-L738 HydrophobicContact CD1-CG 4.29Å; L698-L738 HydrophobicContact CD2-CD2 4.33Å; T711-L738 HydrophobicContact CG2-CD2 4.25Å; L714-L738 HydrophobicContact CD1-CD2 4.33Å; L729-L738 HydrophobicContact CD2-CD1 4.38Å; G734-L738 WeakPolarHBondContact O-CG 3.24Å; G734-L738 PolarHBondContact O-N 3.34Å; V735-L738 PolarHBondContact O-N 2.94Å; V735-L738 VanDerWaalsContact O-N 3.16Å; L738-K740 VanDerWaalsContact C-N 3.3Å; L738-K740 PolarHBondContact O-N 3.33Å; L738-V741 WeakPolarHBondContact O-CB 3.4Å; L738-V741 PolarHBondContact O-N 3.2Å; L738-L742 PolarHBondContact O-N 2.98Å; L738-L742 VanDerWaalsContact O-N 3.09Å; L738-A755 HydrophobicContact CB-CB 4.45Å; L738-A755 HydrophobicContact CD2-CB 3.9Å; L738-V758 HydrophobicContact CD1-CB 3.92Å; L738-V758 HydrophobicContact CD1-CG1 3.6Å; L738-M759 HydrophobicContact CB-CG 4.15Å; L738-M759 HydrophobicContact CB-SD 4.1Å; L738-M759 HydrophobicContact CD1-CG 4.26Å
739E93.8Very high92.9Very high84 Ų8461 Ų6139%0.39332%0.321SS..Hα-helixtrans-55.6-45.6171-74.3170.1175.100111.3V735 V741 L742 E743 M759V735-E739 PolarHBondContact O-N 3.37Å; E739-V741 VanDerWaalsContact C-N 3.3Å; E739-V741 PolarHBondContact O-N 3.13Å; E739-L742 WeakPolarHBondContact O-CB 3.23Å; E739-L742 PolarHBondContact O-N 3.17Å; E739-E743 WeakPolarHBondContact O-CG 3.36Å; E739-E743 PolarHBondContact O-N 3.39Å; E739-E743 VanDerWaalsContact O-N 3.11Å; E739-M759 HydrophobicContact CG-CE 3.48Å; E739-M759 VanDerWaalsContact CG-CE 3.48Å; E739-M759 HydrophobicContact CG-SD 4.13Å
740K92.8Very high92.8Very high107 Ų10765.6 Ų65.647%0.46534%0.343SS..Hα-helixtrans-62.2-36175.3-65.7174.5-176.21770112.5L737 L738 L742 E743 L744L737-K740 HydrophobicContact CD2-CD 4.45Å; L737-K740 WeakPolarHBondContact O-CB 3.48Å; L737-K740 PolarHBondContact O-N 3.33Å; L738-K740 VanDerWaalsContact C-N 3.3Å; L738-K740 PolarHBondContact O-N 3.33Å; K740-L742 VanDerWaalsContact C-N 3.27Å; K740-L742 PolarHBondContact O-N 3.45Å; K740-E743 PolarHBondContact O-N 2.96Å; K740-L744 VanDerWaalsContact O-CG 3.26Å; K740-L744 WeakPolarHBondContact O-CG 3.38Å; K740-L744 PolarHBondContact O-N 2.94Å
741V93.3Very high92.9Very high0 Ų062.9 Ų62.90%033%0.329CS..Hα-helixtrans-62.6-36.2174.5176.50000111.2L698 Q707 L737 L738 E739 S747 T751L698-V741 HydrophobicContact CB-CG2 3.94Å; L698-V741 HydrophobicContact CD2-CG2 4.29Å; Q707-V741 HydrophobicContact CG-CG1 4.39Å; Q707-V741 HydrophobicContact CG-CG2 4.43Å; L737-V741 WeakPolarHBondContact O-CG2 3.41Å; L737-V741 PolarHBondContact O-N 2.67Å; L738-V741 WeakPolarHBondContact O-CB 3.4Å; L738-V741 PolarHBondContact O-N 3.2Å; E739-V741 VanDerWaalsContact C-N 3.3Å; E739-V741 PolarHBondContact O-N 3.13Å; V741-S747 VanDerWaalsContact O-CB 3.31Å; V741-S747 WeakPolarHBondContact O-CB 3.36Å; V741-S747 PolarHBondContact O-OG 3.02Å; V741-T751 HydrophobicContact CG1-CG2 4.04Å
742L93.2Very high93Very high46 Ų4655.9 Ų55.924%0.24130%0.298CS..Hα-helixtrans-68.6-37.8176.2-61.8177.6000112.3L738 E739 K740 K752 A755 R756 M759L738-L742 PolarHBondContact O-N 2.98Å; L738-L742 VanDerWaalsContact O-N 3.09Å; E739-L742 WeakPolarHBondContact O-CB 3.23Å; E739-L742 PolarHBondContact O-N 3.17Å; K740-L742 VanDerWaalsContact C-N 3.27Å; K740-L742 PolarHBondContact O-N 3.45Å; L742-K752 HydrophobicContact CD2-CB 3.76Å; L742-K752 HydrophobicContact CD2-CG 4.2Å; L742-K752 VanDerWaalsContact CD2-O 3.24Å; L742-K752 WeakPolarHBondContact CD2-O 3.32Å; L742-K752 WeakPolarHBondContact O-CE 3.19Å; L742-K752 PolarHBondContact O-NZ 3.29Å; L742-A755 HydrophobicContact CD2-CB 4.01Å; L742-A755 HydrophobicContact CG-CB 4.48Å; L742-R756 HydrophobicContact CD1-CG 4.16Å; L742-R756 HydrophobicContact CD2-CG 3.86Å; L742-M759 HydrophobicContact CD1-SD 3.86Å
743E91.7Very high93.1Very high153 Ų15356.9 Ų56.972%0.71530%0.303SS*.Hα-helixtrans-72.8-28179.5-68.2177.1173.900113.5E739 K740 D745E739-E743 WeakPolarHBondContact O-CG 3.36Å; E739-E743 PolarHBondContact O-N 3.39Å; E739-E743 VanDerWaalsContact O-N 3.11Å; K740-E743 PolarHBondContact O-N 2.96Å; E743-D745 PolarHBondContact O-N 3.29Å
744L91.1Very high93.1Very high57 Ų5756.5 Ų56.530%0.29829%0.294SS..  trans-69.9119.1-178.3-77.6168.2000112K740 S746 S747 K752K740-L744 VanDerWaalsContact O-CG 3.26Å; K740-L744 WeakPolarHBondContact O-CG 3.38Å; K740-L744 PolarHBondContact O-N 2.94Å; L744-S746 PolarHBondContact O-N 3.05Å; L744-S747 WeakPolarHBondContact CB-OG 3.47Å; L744-S747 WeakPolarHBondContact O-CB 3.29Å; L744-S747 PolarHBondContact O-N 3.26Å; L744-K752 WeakPolarHBondContact O-CE 3.36Å; L744-K752 PolarHBondContact O-NZ 3.4Å
745D87.2Confident93.2Very high160 Ų16056.5 Ų56.586%0.85629%0.294SS*.THydrogen-bonded Turntrans-62.8-28.9175.7-71.5-30.1000112.9E743 S747E743-D745 PolarHBondContact O-N 3.29Å; D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 3.08Å
746S88.9Confident93.3Very high60 Ų6061.2 Ų61.242%0.4231%0.31SS..THydrogen-bonded Turntrans-74.2-12.6178.4570000114.2L744L744-S746 PolarHBondContact O-N 3.05Å
747S91.7Very high93.4Very high6 Ų661.5 Ų61.54%0.04230%0.303CS..SBendtrans-79.2132.4-178.2-70.40000111.4Q707 V741 L744 D745 K752Q707-S747 VanDerWaalsContact CD-OG 3.24Å; Q707-S747 PolarHBondContact NE2-OG 2.92Å; Q707-S747 PolarHBondContact OE1-OG 2.85Å; V741-S747 VanDerWaalsContact O-CB 3.31Å; V741-S747 WeakPolarHBondContact O-CB 3.36Å; V741-S747 PolarHBondContact O-OG 3.02Å; L744-S747 WeakPolarHBondContact CB-OG 3.47Å; L744-S747 WeakPolarHBondContact O-CB 3.29Å; L744-S747 PolarHBondContact O-N 3.26Å; D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 3.08Å; S747-K752 WeakPolarHBondContact O-CE 3.22Å
748Q92.7Very high93.4Very high80 Ų8059.8 Ų59.837%0.37429%0.294SS..  trans-65.3145.8-176.1-65.6-67.41.200112.2W672 P704 E750 T751 K752W672-Q748 HydrophobicContact CH2-CB 4Å; W672-Q748 HydrophobicContact CH2-CG 3.85Å; W672-Q748 HydrophobicContact CZ3-CG 4.5Å; P704-Q748 HydrophobicContact CB-CG 4.34Å; Q748-E750 VanDerWaalsContact C-N 3.29Å; Q748-E750 PolarHBondContact O-N 2.91Å; Q748-T751 WeakPolarHBondContact O-CB 3.42Å; Q748-T751 PolarHBondContact O-N 2.8Å; Q748-T751 VanDerWaalsContact O-N 3.08Å; Q748-K752 PolarHBondContact O-N 3.24Å
749P93.1Very high93.3Very high86 Ų8660.9 Ų60.956%0.55830%0.3SS*.Hα-helixtrans-54.1-41.7-179.3-26.835.3000113.9K752 E753P749-K752 PolarHBondContact O-N 3.02Å; P749-E753 PolarHBondContact O-N 3.28Å
750E93.1Very high93.3Very high97 Ų9762.3 Ų62.345%0.45331%0.306SS..Hα-helixtrans-66.5-38.4179.2-60.378.8-175.500111.5Q748 E753 M754Q748-E750 VanDerWaalsContact C-N 3.29Å; Q748-E750 PolarHBondContact O-N 2.91Å; E750-E753 PolarHBondContact O-N 3.37Å; E750-M754 PolarHBondContact O-N 2.72Å
751T94.6Very high93.1Very high0 Ų060.8 Ų60.80%030%0.301CS..Hα-helixtrans-63.2-46.4173.2-52.50000110.7Q707 H708 T711 V741 Q748 E753 M754 A755Q707-T751 HydrophobicContact CG-CG2 4.23Å; H708-T751 PolarHBondContact ND1-OG1 3.27Å; T711-T751 HydrophobicContact CG2-CG2 4.15Å; T711-T751 WeakPolarHBondContact OG1-CG2 3.15Å; V741-T751 HydrophobicContact CG1-CG2 4.04Å; Q748-T751 WeakPolarHBondContact O-CB 3.42Å; Q748-T751 PolarHBondContact O-N 2.8Å; Q748-T751 VanDerWaalsContact O-N 3.08Å; T751-E753 VanDerWaalsContact C-N 3.26Å; T751-E753 PolarHBondContact O-N 3.07Å; T751-M754 PolarHBondContact O-N 2.94Å; T751-A755 PolarHBondContact O-N 3.36Å
752K95.4Very high93Very high33 Ų3360.8 Ų60.814%0.14330%0.301CS..Hα-helixtrans-60.2-39176.9-67.5-169.7-178.4-164.40111.3L742 L744 S747 Q748 P749 A755 R756L742-K752 HydrophobicContact CD2-CB 3.76Å; L742-K752 HydrophobicContact CD2-CG 4.2Å; L742-K752 VanDerWaalsContact CD2-O 3.24Å; L742-K752 WeakPolarHBondContact CD2-O 3.32Å; L742-K752 WeakPolarHBondContact O-CE 3.19Å; L742-K752 PolarHBondContact O-NZ 3.29Å; L744-K752 WeakPolarHBondContact O-CE 3.36Å; L744-K752 PolarHBondContact O-NZ 3.4Å; S747-K752 WeakPolarHBondContact O-CE 3.22Å; Q748-K752 PolarHBondContact O-N 3.24Å; P749-K752 PolarHBondContact O-N 3.02Å; K752-A755 PolarHBondContact O-N 3Å; K752-R756 WeakPolarHBondContact O-CG 3.21Å; K752-R756 PolarHBondContact O-N 3.33Å
753E95.6Very high92.7Very high82 Ų8263.7 Ų63.738%0.38331%0.313SS..Hα-helixtrans-65.1-44.7177.5-176.956.6-162.900112.7P749 E750 T751 A755 R756 K757P749-E753 PolarHBondContact O-N 3.28Å; E750-E753 PolarHBondContact O-N 3.37Å; T751-E753 VanDerWaalsContact C-N 3.26Å; T751-E753 PolarHBondContact O-N 3.07Å; E753-A755 VanDerWaalsContact C-N 3.32Å; E753-A755 PolarHBondContact O-N 3.29Å; E753-R756 PolarHBondContact O-N 3.48Å; E753-R756 IonicContact OE2-NH1 3.25Å; E753-R756 PolarHBondContact OE2-NH1 3.07Å; E753-K757 WeakPolarHBondContact O-CG 3.38Å; E753-K757 PolarHBondContact O-N 3.35Å; E753-K757 VanDerWaalsContact O-N 3.17Å; E753-K757 VanDerWaalsContact OE1-CE 3.32Å; E753-K757 WeakPolarHBondContact OE1-CE 3.44Å
754M95.9Very high92.2Very high22 Ų2262.2 Ų62.211%0.10831%0.31CS..Hα-helixtrans-61-42.8173.2-69.5-169.8-62.400111.6H708 T711 W712 Y715 E750 T751 R756 K757 V758H708-M754 WeakPolarHBondContact CE1-CE 3.41Å; H708-M754 WeakPolarHBondContact ND1-CE 3.46Å; T711-M754 HydrophobicContact CG2-CB 3.77Å; T711-M754 HydrophobicContact CG2-CE 4.42Å; W712-M754 HydrophobicContact CB-CE 3.91Å; W712-M754 HydrophobicContact CB-SD 3.88Å; W712-M754 HydrophobicContact CG-SD 4.1Å; Y715-M754 HydrophobicContact CD1-CB 4.05Å; Y715-M754 HydrophobicContact CD1-CG 3.75Å; Y715-M754 HydrophobicContact CD1-SD 4.02Å; Y715-M754 HydrophobicContact CE1-CG 4.28Å; Y715-M754 HydrophobicContact CG-CB 4.47Å; E750-M754 PolarHBondContact O-N 2.72Å; T751-M754 PolarHBondContact O-N 2.94Å; M754-R756 VanDerWaalsContact C-N 3.32Å; M754-R756 PolarHBondContact O-N 3.45Å; M754-K757 PolarHBondContact O-N 2.98Å; M754-K757 VanDerWaalsContact O-N 3.13Å; M754-V758 VanDerWaalsContact O-CG2 3.27Å; M754-V758 WeakPolarHBondContact O-CG2 3.43Å; M754-V758 PolarHBondContact O-N 2.68Å
755A95.6Very high91.8Very high0 Ų062.7 Ų62.70%031%0.31CS..Hα-helixtrans-58.2-42.817800000112.1T711 L738 L742 T751 K752 E753 V758 M759T711-A755 HydrophobicContact CG2-CB 3.95Å; L738-A755 HydrophobicContact CB-CB 4.45Å; L738-A755 HydrophobicContact CD2-CB 3.9Å; L742-A755 HydrophobicContact CD2-CB 4.01Å; L742-A755 HydrophobicContact CG-CB 4.48Å; T751-A755 PolarHBondContact O-N 3.36Å; K752-A755 PolarHBondContact O-N 3Å; E753-A755 VanDerWaalsContact C-N 3.32Å; E753-A755 PolarHBondContact O-N 3.29Å; A755-V758 PolarHBondContact O-N 2.79Å; A755-M759 WeakPolarHBondContact O-CG 3.32Å; A755-M759 PolarHBondContact O-N 3.04Å
756R96.1Very high90.6Very high111 Ų11160.5 Ų60.542%0.41929%0.293SS..Hα-helixtrans-58.9-47.4173.5-69.2-175.1-162.41075.4111.8L742 K752 E753 M754 V758 M759 E760L742-R756 HydrophobicContact CD1-CG 4.16Å; L742-R756 HydrophobicContact CD2-CG 3.86Å; K752-R756 WeakPolarHBondContact O-CG 3.21Å; K752-R756 PolarHBondContact O-N 3.33Å; E753-R756 PolarHBondContact O-N 3.48Å; E753-R756 IonicContact OE2-NH1 3.25Å; E753-R756 PolarHBondContact OE2-NH1 3.07Å; M754-R756 VanDerWaalsContact C-N 3.32Å; M754-R756 PolarHBondContact O-N 3.45Å; R756-V758 VanDerWaalsContact C-N 3.32Å; R756-V758 PolarHBondContact O-N 3.48Å; R756-M759 WeakPolarHBondContact O-CB 3.17Å; R756-M759 PolarHBondContact O-N 3.21Å; R756-M759 VanDerWaalsContact O-N 3.11Å; R756-E760 WeakPolarHBondContact O-CG 3.29Å; R756-E760 PolarHBondContact O-N 2.99Å
757K95Very high88.8Confident71 Ų7166.3 Ų66.331%0.30931%0.314SS..Hα-helixtrans-61.8-38.4179-66.9-177.7-176.7177.20112.7Y715 E753 M754 M759 Q761Y715-K757 HydrophobicContact CD2-CB 4.13Å; Y715-K757 HydrophobicContact CE1-CD 4Å; Y715-K757 HydrophobicContact CE2-CB 3.69Å; Y715-K757 HydrophobicContact CE2-CD 4.12Å; Y715-K757 VanDerWaalsContact OH-CD 3.29Å; Y715-K757 WeakPolarHBondContact OH-CD 3.47Å; E753-K757 WeakPolarHBondContact O-CG 3.38Å; E753-K757 PolarHBondContact O-N 3.35Å; E753-K757 VanDerWaalsContact O-N 3.17Å; E753-K757 VanDerWaalsContact OE1-CE 3.32Å; E753-K757 WeakPolarHBondContact OE1-CE 3.44Å; M754-K757 PolarHBondContact O-N 2.98Å; M754-K757 VanDerWaalsContact O-N 3.13Å; K757-M759 VanDerWaalsContact C-N 3.35Å; K757-Q761 WeakPolarHBondContact O-CB 3.34Å; K757-Q761 VanDerWaalsContact O-CG 3.27Å; K757-Q761 WeakPolarHBondContact O-CG 3.46Å; K757-Q761 PolarHBondContact O-N 3.41Å
758V95.4Very high86.5Confident0 Ų072.7 Ų72.70%035%0.347CS..Hα-helixtrans-62.4-44.8173.7-178.70000110.9L714 Y715 V718 L729 L738 M754 A755 R756 Q761 C762L714-V758 HydrophobicContact CB-CG1 4.44Å; L714-V758 HydrophobicContact CB-CG2 4.46Å; Y715-V758 VanDerWaalsContact CA-CG2 3.43Å; Y715-V758 HydrophobicContact CD2-CG2 4.08Å; Y715-V758 HydrophobicContact CG-CG2 4.11Å; V718-V758 HydrophobicContact CG1-CG1 4.33Å; V718-V758 HydrophobicContact CG2-CB 4.42Å; V718-V758 HydrophobicContact CG2-CG1 4.02Å; V718-V758 HydrophobicContact CG2-CG2 4.34Å; L729-V758 HydrophobicContact CD2-CG1 3.47Å; L729-V758 VanDerWaalsContact CD2-CG1 3.47Å; L738-V758 HydrophobicContact CD1-CB 3.92Å; L738-V758 HydrophobicContact CD1-CG1 3.6Å; M754-V758 VanDerWaalsContact O-CG2 3.27Å; M754-V758 WeakPolarHBondContact O-CG2 3.43Å; M754-V758 PolarHBondContact O-N 2.68Å; A755-V758 PolarHBondContact O-N 2.79Å; R756-V758 VanDerWaalsContact C-N 3.32Å; R756-V758 PolarHBondContact O-N 3.48Å; V758-Q761 PolarHBondContact O-N 3.29Å; V758-C762 PolarHBondContact O-N 3.28Å; V758-C762 PolarHBondContact O-SG 3.06Å
759M93.6Very high84.1Confident24 Ų2474.3 Ų74.312%0.11836%0.364CS..Hα-helixtrans-63.3-46.6178.6-70179.165.900111.9V735 L738 E739 L742 A755 R756 K757 Q761 C762 E763V735-M759 HydrophobicContact CG1-CE 4.02Å; V735-M759 HydrophobicContact CG1-CG 4.38Å; L738-M759 HydrophobicContact CB-CG 4.15Å; L738-M759 HydrophobicContact CB-SD 4.1Å; L738-M759 HydrophobicContact CD1-CG 4.26Å; E739-M759 HydrophobicContact CG-CE 3.48Å; E739-M759 VanDerWaalsContact CG-CE 3.48Å; E739-M759 HydrophobicContact CG-SD 4.13Å; L742-M759 HydrophobicContact CD1-SD 3.86Å; A755-M759 WeakPolarHBondContact O-CG 3.32Å; A755-M759 PolarHBondContact O-N 3.04Å; R756-M759 WeakPolarHBondContact O-CB 3.17Å; R756-M759 PolarHBondContact O-N 3.21Å; R756-M759 VanDerWaalsContact O-N 3.11Å; K757-M759 VanDerWaalsContact C-N 3.35Å; M759-Q761 VanDerWaalsContact C-N 3.32Å; M759-Q761 PolarHBondContact O-N 3.11Å; M759-C762 PolarHBondContact O-N 2.72Å; M759-E763 WeakPolarHBondContact O-CG 3.48Å; M759-E763 PolarHBondContact O-N 3.45Å
760E92.6Very high81.6Confident114 Ų11477.6 Ų77.653%0.53337%0.374SS..Hα-helixtrans-57.3-43.2175.2-73.9175.8-172.100111.8R756 C762 E763R756-E760 WeakPolarHBondContact O-CG 3.29Å; R756-E760 PolarHBondContact O-N 2.99Å; E760-C762 VanDerWaalsContact C-N 3.3Å; E760-C762 PolarHBondContact O-N 3.32Å; E760-E763 PolarHBondContact O-N 3.14Å
761Q89.6Confident78.7Confident75 Ų7581.1 Ų81.135%0.3539%0.391SS..Hα-helixtrans-63.3-37.1175.7-73.1-66.5-26.200112.2V718 K757 V758 M759 F765V718-Q761 HydrophobicContact CG2-CB 4.18Å; K757-Q761 WeakPolarHBondContact O-CB 3.34Å; K757-Q761 VanDerWaalsContact O-CG 3.27Å; K757-Q761 WeakPolarHBondContact O-CG 3.46Å; K757-Q761 PolarHBondContact O-N 3.41Å; V758-Q761 PolarHBondContact O-N 3.29Å; M759-Q761 VanDerWaalsContact C-N 3.32Å; M759-Q761 PolarHBondContact O-N 3.11Å; Q761-F765 WeakPolarHBondContact O-CD2 3.48Å
762C91.6Very high76Confident0 Ų086.8 Ų86.80%043%0.425CS..Hα-helixtrans-74.9-26.4178.7-680000113.4I730 V735 V758 M759 E760 N764 F765 K766I730-C762 HydrophobicContact CD1-CB 4.12Å; I730-C762 HydrophobicContact CG1-CB 4.18Å; V735-C762 HydrophobicContact CG2-CB 4.39Å; V758-C762 PolarHBondContact O-N 3.28Å; V758-C762 PolarHBondContact O-SG 3.06Å; M759-C762 PolarHBondContact O-N 2.72Å; E760-C762 VanDerWaalsContact C-N 3.3Å; E760-C762 PolarHBondContact O-N 3.32Å; C762-N764 PolarHBondContact O-N 3.28Å; C762-F765 PolarHBondContact O-N 3.41Å; C762-K766 PolarHBondContact O-N 3.28Å
763E86.9Confident72.8Confident107 Ų10791.9 Ų91.950%0.545%0.454SS..Hα-helixtrans-57.9-38177.3-77.1174.7176.200112.1M759 E760 F765 K766M759-E763 WeakPolarHBondContact O-CG 3.48Å; M759-E763 PolarHBondContact O-N 3.45Å; E760-E763 PolarHBondContact O-N 3.14Å; E763-F765 PolarHBondContact O-N 2.98Å; E763-F765 VanDerWaalsContact O-N 3.09Å; E763-K766 PolarHBondContact O-N 2.9Å
764N80Confident69.9Low122 Ų12293.2 Ų93.265%0.65247%0.473SS*.THydrogen-bonded Turntrans-64.1-12.8176.3-62.8-39000114.2C762C762-N764 PolarHBondContact O-N 3.28Å
765F82.3Confident66.9Low66 Ų6695.8 Ų95.829%0.28950%0.504SS..THydrogen-bonded Turntrans-110.2-1.1-179.5-70.6-90.6000113.3P722 C726 P727 I730 Q761 C762 E763 E767P722-F765 HydrophobicContact CB-CE2 3.85Å; P722-F765 HydrophobicContact CB-CZ 3.8Å; C726-F765 HydrophobicContact CB-CB 4.07Å; C726-F765 HydrophobicContact CB-CD1 4.36Å; C726-F765 HydrophobicContact CB-CD2 3.53Å; C726-F765 HydrophobicContact CB-CE2 4.04Å; C726-F765 HydrophobicContact CB-CG 3.71Å; P727-F765 HydrophobicContact CG-CD1 4.27Å; I730-F765 HydrophobicContact CD1-CB 4.2Å; Q761-F765 WeakPolarHBondContact O-CD2 3.48Å; C762-F765 PolarHBondContact O-N 3.41Å; E763-F765 PolarHBondContact O-N 2.98Å; E763-F765 VanDerWaalsContact O-N 3.09Å; F765-E767 PolarHBondContact O-N 2.84Å
766K63.1Low63.6Low114 Ų114105.2 Ų105.250%0.49655%0.549SS..THydrogen-bonded Turntrans-73.5-14176.6-73.3179.7-180170.90113.1I730 C762 E763I730-K766 HydrophobicContact CD1-CG 4.22Å; C762-K766 PolarHBondContact O-N 3.28Å; E763-K766 PolarHBondContact O-N 2.9Å
767E51.3Low60.4Low183 Ų183109.1 Ų109.186%0.85557%0.572SS**THydrogen-bonded Turntrans-105.8-2.3-171.5-64.9-166.516300116F765F765-E767 PolarHBondContact O-N 2.84Å
768D43.8Very low57.1Low139 Ų139109.4 Ų109.474%0.74359%0.587SS**  trans-119.1108.3-174.7-147.1-5.2000112.9M770D768-M770 PolarHBondContact O-N 3.15Å
769P40.7Very low53.8Low114 Ų114117.2 Ų117.274%0.7463%0.629SS**  trans-77.6106.7175.730.2-30.5000110.8
770M41.2Very low50.7Low155 Ų155126.9 Ų126.976%0.76467%0.666SS**  trans-1.1112.3167.9-84.6176.56700117.7D768 T772D768-M770 PolarHBondContact O-N 3.15Å; M770-T772 HydrophobicContact CE-CG2 3.38Å
771E32.4Very low47.5Very low172 Ų172124.4 Ų124.480%0.80467%0.67SS**  trans-83111.9139.7-79-167.3166.500108.8N773E771-N773 VanDerWaalsContact C-N 3.33Å; E771-N773 PolarHBondContact O-N 2.94Å
772T37Very low44.5Very low118 Ų118130 Ų13072%0.72470%0.696SS**  trans-68.189.5164.845.30000109.3M770M770-T772 HydrophobicContact CE-CG2 3.38Å
773N30Very low41.5Very low141 Ų141141.7 Ų141.775%0.75474%0.741SS**  trans-85.9114.5163-104-28.2000109.7E771E771-N773 VanDerWaalsContact C-N 3.33Å; E771-N773 PolarHBondContact O-N 2.94Å
774S33.3Very low38.9Very low110 Ų110144 Ų14477%0.76979%0.793SS**  trans-48132.5166.343.70000112.3
775G33.7Very low36.8Very low75 Ų75145.1 Ų145.177%0.77380%0.8SS**  trans28.294.2156.200000117.7E777G775-E777 PolarHBondContact O-N 3.48Å
776Q26.8Very low34.4Very low199 Ų199149.2 Ų149.293%0.9383%0.826SS**  trans-72.8114.6150.9-86.4-176.3-20.200108.7A778Q776-A778 PolarHBondContact O-N 2.89Å; Q776-A778 VanDerWaalsContact O-N 3.14Å
777E27.6Very low32.8Very low193 Ų193151.2 Ų151.290%0.90285%0.845SS**  trans-46.4111.6168.1-68.8174.1148.200110.6G775 N779G775-E777 PolarHBondContact O-N 3.48Å; E777-N779 PolarHBondContact O-N 2.99Å
778A27.3Very low31.7Very low77 Ų77149.3 Ų149.364%0.63684%0.844SS**  trans-72.1107.7161.700000107.6Q776 Y780Q776-A778 PolarHBondContact O-N 2.89Å; Q776-A778 VanDerWaalsContact O-N 3.14Å; A778-Y780 VanDerWaalsContact C-N 3.34Å; A778-Y780 PolarHBondContact O-N 2.7Å
779N25.2Very low31Very low163 Ų163149.9 Ų149.987%0.87285%0.85SS**  trans-52.389.6169.9-121.4-23.1000110.4E777 G781E777-N779 PolarHBondContact O-N 2.99Å; N779-G781 PolarHBondContact O-N 3.36Å
780Y28.4Very low30.3Very low228 Ų228152.3 Ų152.389%0.89486%0.858SS**  trans-78.184.7160.1-84.4-81.9000107.7A778 Q782A778-Y780 VanDerWaalsContact C-N 3.34Å; A778-Y780 PolarHBondContact O-N 2.7Å; Y780-Q782 PolarHBondContact O-N 3.38Å
781G25.4Very low29.5Very low61 Ų61152.1 Ų152.163%0.62987%0.865SS**  trans-58.5125.1169.400000110.6N779 R783N779-G781 PolarHBondContact O-N 3.36Å; G781-R783 PolarHBondContact O-N 3.12Å
782Q27.4Very low29.3Very low192 Ų192150.6 Ų150.690%0.89787%0.869SS**  trans-6.3110151.1-68.9175.1-26.900115Y780Y780-Q782 PolarHBondContact O-N 3.38Å
783R28.3Very low28.7Very low247 Ų247153.3 Ų153.393%0.93288%0.881SS**  trans-138.8111.8139.6-72.8-167.2176.9177.6-0.7107.1G781G781-R783 PolarHBondContact O-N 3.12Å
784G30.9Very low28.6Very low154 Ų154154.5 Ų154.5100%1.58889%0.893SS**  trans-78.10179.100000113.9

Retrieved 784 of 784 residues in 1579.5 ms (Link to these results)

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