G4VC25_SCHMA Loading...

Rab GDP dissociation inhibitor

Regulates the GDP/GTP exchange reaction of most RAB proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP.

AlphaFold DB , UniProt , Accession G4VC25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 447 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
1M62.9Low89.5Confident31 Ų3142.8 Ų42.815%0.15321%0.208CC..  01.80-104.4178.2-76.900114.3E3 M33 E278 A280M1-E3 PolarHBondContact O-N 2.85Å; M1-M33 HydrophobicContact SD-SD 4.33Å; M1-E278 HydrophobicContact CB-CB 4.11Å; M1-E278 HydrophobicContact CE-CB 3.43Å; M1-E278 VanDerWaalsContact CE-CB 3.43Å; M1-E278 VanDerWaalsContact CE-CD 3.45Å; M1-E278 HydrophobicContact CE-CG 4.02Å; M1-E278 WeakPolarHBondContact CE-OE2 3.3Å; M1-E278 PolarHBondContact N-OE1 2.78Å; M1-E278 HydrophobicContact SD-CB 4.34Å; M1-A280 HydrophobicContact CB-CB 4.18Å; M1-A280 HydrophobicContact CG-CB 4.04Å; M1-A280 HydrophobicContact SD-CB 4.11Å
2D65.8Low90Very high143 Ų14339.3 Ų39.377%0.76519%0.191SC*.  trans-75.230.6-165.3-54.4-45.7000116.2
3E79.1Confident90.4Very high99 Ų9936.4 Ų36.446%0.46318%0.178SC..SBendtrans-99.4152.7175-60-170.4162.500110.9M1 Y5 K29M1-E3 PolarHBondContact O-N 2.85Å; E3-Y5 HydrophobicContact CB-CE2 3.92Å; E3-Y5 WeakPolarHBondContact O-CD2 3.38Å; E3-K29 WeakPolarHBondContact OE2-CE 3.32Å; E3-K29 IonicContact OE2-NZ 2.64Å; E3-K29 PolarHBondContact OE2-NZ 3Å
4K92.7Very high90.7Very high136 Ų13634.1 Ų34.159%0.59117%0.166SC*.EExtended strand (participates in β ladder)trans-84.4124.9166.8-168.5-175.6175.3-159.40108.9E283K4-E283 WeakPolarHBondContact CE-OE1 3.31Å; K4-E283 IonicContact NZ-OE1 3.83Å; K4-E283 PolarHBondContact NZ-OE1 3.24Å
5Y96.8Very high91Very high9 Ų932.1 Ų32.14%0.03516%0.157CC..EExtended strand (participates in β ladder)trans-104.1154.4173.2-64.1-88.5000110.1E3 K29 L31 A280 R281 C282 E283E3-Y5 HydrophobicContact CB-CE2 3.92Å; E3-Y5 WeakPolarHBondContact O-CD2 3.38Å; Y5-K29 HydrophobicContact CD1-CD 4.27Å; Y5-K29 HydrophobicContact CD1-CG 3.87Å; Y5-K29 HydrophobicContact CE1-CG 4.31Å; Y5-L31 HydrophobicContact CD1-CB 3.52Å; Y5-L31 HydrophobicContact CD2-CB 4.08Å; Y5-L31 HydrophobicContact CD2-CD2 4.16Å; Y5-L31 HydrophobicContact CE1-CB 3.52Å; Y5-L31 HydrophobicContact CE2-CB 4.06Å; Y5-L31 HydrophobicContact CE2-CD2 3.78Å; Y5-L31 HydrophobicContact CE2-CG 4.49Å; Y5-L31 HydrophobicContact CG-CB 3.82Å; Y5-A280 HydrophobicContact CD2-CB 4.35Å; Y5-A280 HydrophobicContact CE2-CB 4.26Å; Y5-R281 PolarHBondContact N-O 3.46Å; Y5-C282 VanDerWaalsContact O-CA 3.26Å; Y5-C282 WeakPolarHBondContact O-CA 3.13Å; Y5-E283 PolarHBondContact O-N 3.09Å
6D97.5Very high91.4Very high49 Ų4930.1 Ų30.126%0.26215%0.147SC..EExtended strand (participates in β ladder)trans-74.4-43.6169-62.4-47.5000109.3K28 K29 E283 K284D6-K28 HydrophobicContact CB-CB 4.1Å; D6-K28 HydrophobicContact CB-CD 4.25Å; D6-K28 WeakPolarHBondContact OD2-CA 3.48Å; D6-K29 PolarHBondContact N-O 3.11Å; D6-K29 PolarHBondContact OD2-N 3.22Å; D6-E283 WeakPolarHBondContact O-CB 3.4Å; D6-E283 PolarHBondContact O-N 2.74Å; D6-K284 PolarHBondContact O-N 2.88Å; D6-K284 VanDerWaalsContact O-N 3.15Å
7I98.1Very high91.7Very high4 Ų428.4 Ų28.42%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-138131.9-174.2-55.6-178.2000109.7V9 M23 K28 K29 V30 L31 K284 I286 I429I7-V9 HydrophobicContact CG2-CG2 3.97Å; I7-M23 HydrophobicContact CD1-CB 3.88Å; I7-M23 HydrophobicContact CD1-CG 3.46Å; I7-M23 VanDerWaalsContact CD1-CG 3.46Å; I7-M23 HydrophobicContact CD1-SD 3.54Å; I7-M23 VanDerWaalsContact CD1-SD 3.54Å; I7-K28 HydrophobicContact CD1-CB 4.46Å; I7-K28 HydrophobicContact CD1-CG 4.32Å; I7-K29 PolarHBondContact N-O 3.35Å; I7-V30 WeakPolarHBondContact O-CA 3.39Å; I7-L31 PolarHBondContact O-N 3.29Å; I7-K284 WeakPolarHBondContact CA-O 3.36Å; I7-K284 HydrophobicContact CG1-CB 4.3Å; I7-I286 HydrophobicContact CG2-CD1 3.77Å; I7-I286 HydrophobicContact CG2-CG1 3.96Å; I7-I429 HydrophobicContact CD1-CG2 4.22Å
8I98.3Very high91.9Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-104.4131.1163.7-70.2174.3000108.9L10 L31 M33 V273 A280 C282 K284 V285 I286I8-L10 HydrophobicContact CG2-CD2 3.49Å; I8-L10 VanDerWaalsContact CG2-CD2 3.49Å; I8-L10 HydrophobicContact CG2-CG 4.21Å; I8-L31 CarbonylContact C-O 3.55Å; I8-L31 VanDerWaalsContact CA-O 3.25Å; I8-L31 WeakPolarHBondContact CA-O 3.41Å; I8-L31 HydrophobicContact CD1-CD2 4.23Å; I8-L31 HydrophobicContact CG1-CB 4.13Å; I8-L31 HydrophobicContact CG1-CD2 4.24Å; I8-L31 HydrophobicContact CG1-CG 4.49Å; I8-M33 HydrophobicContact CG2-CE 3.75Å; I8-V273 HydrophobicContact CB-CG2 4.25Å; I8-V273 HydrophobicContact CD1-CB 4.08Å; I8-V273 HydrophobicContact CD1-CG2 4.02Å; I8-V273 HydrophobicContact CG2-CB 4.29Å; I8-V273 HydrophobicContact CG2-CG2 3.77Å; I8-A280 HydrophobicContact CD1-CB 3.66Å; I8-C282 HydrophobicContact CB-CB 4.22Å; I8-C282 HydrophobicContact CD1-CB 3.61Å; I8-C282 HydrophobicContact CG1-CB 3.62Å; I8-K284 PolarHBondContact N-O 2.79Å; I8-V285 HydrophobicContact CB-CG2 4.31Å; I8-V285 CarbonylContact O-C 3.51Å; I8-V285 VanDerWaalsContact O-CA 3.25Å; I8-V285 WeakPolarHBondContact O-CA 3.45Å; I8-I286 PolarHBondContact O-N 3.03Å
9V98.3Very high92.1Very high0 Ų025.4 Ų25.40%012%0.124CC..EExtended strand (participates in β ladder)trans-111.2128.9176.8-173.20000109I7 E16 V30 L31 H32 M33 I286I7-V9 HydrophobicContact CG2-CG2 3.97Å; V9-E16 HydrophobicContact CG1-CB 3.7Å; V9-E16 HydrophobicContact CG1-CG 4.29Å; V9-V30 HydrophobicContact CG2-CG1 3.86Å; V9-L31 PolarHBondContact N-O 3.15Å; V9-H32 HydrophobicContact CB-CB 4.34Å; V9-H32 VanDerWaalsContact CG1-CE1 3.44Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.36Å; V9-H32 CarbonylContact O-C 3.56Å; V9-H32 WeakPolarHBondContact O-CA 3.36Å; V9-M33 PolarHBondContact O-N 3.03Å; V9-I286 CarbonylContact C-O 3.49Å; V9-I286 VanDerWaalsContact CA-O 3.29Å; V9-I286 WeakPolarHBondContact CA-O 3.44Å; V9-I286 HydrophobicContact CG1-CB 4.27Å; V9-I286 HydrophobicContact CG1-CG2 4.37Å; V9-I286 HydrophobicContact CG2-CB 4.19Å; V9-I286 HydrophobicContact CG2-CD1 4.26Å
10L98.2Very high92.3Very high0 Ų024.1 Ų24.10%012%0.118CC..EExtended strand (participates in β ladder)trans-117120-178.3-47177000110.4I8 M33 V260 I263 V273 V285 I286 C287 D288 Y291I8-L10 HydrophobicContact CG2-CD2 3.49Å; I8-L10 VanDerWaalsContact CG2-CD2 3.49Å; I8-L10 HydrophobicContact CG2-CG 4.21Å; L10-M33 CarbonylContact C-O 3.58Å; L10-M33 WeakPolarHBondContact CA-O 3.25Å; L10-M33 HydrophobicContact CD2-CB 4.2Å; L10-M33 HydrophobicContact CD2-CE 3.47Å; L10-M33 VanDerWaalsContact CD2-CE 3.47Å; L10-V260 HydrophobicContact CD1-CG1 4.15Å; L10-V260 HydrophobicContact CD1-CG2 4.15Å; L10-V260 HydrophobicContact CD2-CG2 3.78Å; L10-V260 HydrophobicContact CG-CG2 4.41Å; L10-I263 HydrophobicContact CD1-CD1 3.98Å; L10-I263 HydrophobicContact CD1-CG1 4.01Å; L10-V273 HydrophobicContact CD1-CG1 4.32Å; L10-V273 HydrophobicContact CD1-CG2 4.3Å; L10-V273 HydrophobicContact CD2-CG1 4.12Å; L10-V273 HydrophobicContact CD2-CG2 4.41Å; L10-V285 HydrophobicContact CD1-CG1 4.01Å; L10-V285 HydrophobicContact CG-CG1 4.24Å; L10-I286 PolarHBondContact N-O 2.85Å; L10-C287 HydrophobicContact CB-CB 3.76Å; L10-C287 HydrophobicContact CD1-CB 4.44Å; L10-C287 HydrophobicContact CG-CB 4.38Å; L10-C287 VanDerWaalsContact O-CA 3.27Å; L10-C287 WeakPolarHBondContact O-CA 3.47Å; L10-C287 WeakPolarHBondContact O-CB 3.32Å; L10-D288 PolarHBondContact O-N 3.2Å; L10-Y291 HydrophobicContact CB-CD1 3.73Å; L10-Y291 HydrophobicContact CB-CD2 3.95Å; L10-Y291 HydrophobicContact CB-CE1 4.02Å; L10-Y291 HydrophobicContact CB-CE2 4.24Å; L10-Y291 HydrophobicContact CB-CG 3.68Å; L10-Y291 HydrophobicContact CD1-CD1 4.14Å; L10-Y291 HydrophobicContact CD1-CG 4.33Å; L10-Y291 WeakPolarHBondContact O-CD2 3Å
11G96.8Very high92.4Very high0 Ų023 Ų230%011%0.112CC..  trans92.1136.7-175.400000112.4G13 E16 H32 M33 Y291G11-G13 VanDerWaalsContact C-N 3.35Å; G11-E16 WeakPolarHBondContact O-CB 3.44Å; G11-E16 WeakPolarHBondContact O-CG 3.44Å; G11-H32 PolarHBondContact O-NE2 3.42Å; G11-M33 PolarHBondContact N-O 3.37Å; G11-Y291 VanDerWaalsContact CA-CE2 3.41Å
12T95.1Very high93.9Very high0 Ų021.6 Ų21.60%011%0.106CC..  trans-100.130.3-177.158.10000112.7C17 D34 Y39 G40 Y254 L256T12-C17 VanDerWaalsContact C-SG 3.6Å; T12-C17 PolarHBondContact O-SG 3.16Å; T12-C17 VanDerWaalsContact O-SG 3.35Å; T12-D34 VanDerWaalsContact CB-OD2 3.31Å; T12-D34 WeakPolarHBondContact CB-OD2 3.3Å; T12-D34 HydrophobicContact CG2-CB 3.81Å; T12-D34 WeakPolarHBondContact CG2-OD2 3.36Å; T12-D34 PolarHBondContact N-OD2 3.27Å; T12-D34 PolarHBondContact OG1-OD2 2.87Å; T12-Y39 HydrophobicContact CG2-CD1 4.01Å; T12-Y39 HydrophobicContact CG2-CE1 4.48Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.36Å; T12-G40 CarbonylContact O-C 3.53Å; T12-G40 WeakPolarHBondContact O-CA 3.44Å; T12-G40 PolarHBondContact O-N 3.39Å; T12-G40 PolarHBondContact OG1-N 2.79Å; T12-Y254 HydrophobicContact CG2-CE1 3.6Å; T12-L256 HydrophobicContact CG2-CD2 4.15Å
13G95Very high95.3Very high2 Ų214.9 Ų14.92%0.0217%0.07CC..  trans-58.7155.1167.600000110.8G11 K15 E16 C17G11-G13 VanDerWaalsContact C-N 3.35Å; G13-K15 PolarHBondContact O-N 3.17Å; G13-E16 WeakPolarHBondContact CA-OE2 3.43Å; G13-E16 PolarHBondContact O-N 2.64Å; G13-C17 WeakPolarHBondContact O-CB 3.5Å; G13-C17 PolarHBondContact O-N 2.78Å; G13-C17 PolarHBondContact O-SG 3.06Å; G13-C17 VanDerWaalsContact O-SG 3.34Å
14L94.5Very high96Very high4 Ų410.2 Ų10.22%0.0215%0.048CC..Hα-helixtrans-53.6-41.3-177.6178.260.5000112.9C17 I18 L239 F243 Y409 F415L14-C17 PolarHBondContact O-N 2.8Å; L14-I18 HydrophobicContact CD1-CD1 3.89Å; L14-I18 HydrophobicContact CD1-CG1 4.03Å; L14-I18 HydrophobicContact CD2-CD1 4.42Å; L14-I18 HydrophobicContact CG-CD1 3.74Å; L14-I18 HydrophobicContact CG-CG1 4.35Å; L14-I18 WeakPolarHBondContact O-CD1 3.41Å; L14-I18 WeakPolarHBondContact O-CG1 3.47Å; L14-I18 PolarHBondContact O-N 2.78Å; L14-L239 HydrophobicContact CD1-CB 3.56Å; L14-L239 HydrophobicContact CD1-CD1 4.17Å; L14-L239 HydrophobicContact CD1-CG 4.46Å; L14-L239 HydrophobicContact CD2-CD1 4.11Å; L14-F243 HydrophobicContact CD1-CE2 4.49Å; L14-Y409 PolarHBondContact N-OH 3.36Å; L14-Y409 VanDerWaalsContact N-OH 3.11Å; L14-F415 HydrophobicContact CD2-CD1 3.99Å; L14-F415 HydrophobicContact CD2-CE1 3.31Å; L14-F415 HydrophobicContact CD2-CZ 3.64Å
15K96.4Very high95.9Very high4 Ų46 Ų62%0.0173%0.033CC..Hα-helixtrans-63.1-47.4-179.3-61.7178.5-177.6-1770111.8G13 C17 I18 L19 K407 Y409 T418 D421 V422G13-K15 PolarHBondContact O-N 3.17Å; K15-C17 VanDerWaalsContact C-N 3.34Å; K15-I18 PolarHBondContact O-N 3.13Å; K15-L19 WeakPolarHBondContact O-CG 3.5Å; K15-L19 PolarHBondContact O-N 3.12Å; K15-K407 PolarHBondContact NZ-O 3.13Å; K15-Y409 HydrophobicContact CD-CE1 4.4Å; K15-Y409 HydrophobicContact CG-CE1 4.22Å; K15-Y409 PolarHBondContact N-OH 2.95Å; K15-T418 HydrophobicContact CD-CG2 4.34Å; K15-T418 HydrophobicContact CG-CG2 3.78Å; K15-D421 WeakPolarHBondContact CD-OD2 3.29Å; K15-D421 WeakPolarHBondContact CE-OD2 3.39Å; K15-D421 IonicContact NZ-OD2 3.8Å; K15-D421 PolarHBondContact NZ-OD2 3.26Å; K15-V422 HydrophobicContact CB-CG2 3.81Å; K15-V422 HydrophobicContact CG-CG2 3.8Å
16E97.1Very high95.6Very high1 Ų19.1 Ų9.11%0.0055%0.048CC..Hα-helixtrans-63.2-42178.3-68.164.1-128.300110.6V9 G11 G13 L19 S20 S406V9-E16 HydrophobicContact CG1-CB 3.7Å; V9-E16 HydrophobicContact CG1-CG 4.29Å; G11-E16 WeakPolarHBondContact O-CB 3.44Å; G11-E16 WeakPolarHBondContact O-CG 3.44Å; G13-E16 WeakPolarHBondContact CA-OE2 3.43Å; G13-E16 PolarHBondContact O-N 2.64Å; E16-L19 PolarHBondContact O-N 2.9Å; E16-S20 WeakPolarHBondContact O-CB 3.31Å; E16-S20 PolarHBondContact O-N 3.47Å; E16-S406 WeakPolarHBondContact OE1-CB 3.17Å; E16-S406 PolarHBondContact OE1-OG 2.84Å
17C95.6Very high95.4Very high0 Ų09.8 Ų9.80%07%0.067CC..Hα-helixtrans-63.6-43.9175.1-70.50000112.7T12 G13 L14 K15 S20 G21 P240 F243 Y254T12-C17 VanDerWaalsContact C-SG 3.6Å; T12-C17 PolarHBondContact O-SG 3.16Å; T12-C17 VanDerWaalsContact O-SG 3.35Å; G13-C17 WeakPolarHBondContact O-CB 3.5Å; G13-C17 PolarHBondContact O-N 2.78Å; G13-C17 PolarHBondContact O-SG 3.06Å; G13-C17 VanDerWaalsContact O-SG 3.34Å; L14-C17 PolarHBondContact O-N 2.8Å; K15-C17 VanDerWaalsContact C-N 3.34Å; C17-S20 PolarHBondContact O-N 2.55Å; C17-G21 PolarHBondContact O-N 2.94Å; C17-P240 HydrophobicContact CB-CB 4.4Å; C17-F243 HydrophobicContact CB-CB 3.73Å; C17-F243 HydrophobicContact CB-CD2 4.4Å; C17-F243 HydrophobicContact CB-CG 4.25Å; C17-F243 WeakPolarHBondContact O-CD1 3.34Å; C17-Y254 PolarHBondContact SG-OH 2.96Å
18I95.4Very high95.3Very high0 Ų013.8 Ų13.80%08%0.084CC..Hα-helixtrans-61.3-49.6176.1-66.8159.8000110.2L14 K15 S20 G21 L22 L86 F243 V422L14-I18 HydrophobicContact CD1-CD1 3.89Å; L14-I18 HydrophobicContact CD1-CG1 4.03Å; L14-I18 HydrophobicContact CD2-CD1 4.42Å; L14-I18 HydrophobicContact CG-CD1 3.74Å; L14-I18 HydrophobicContact CG-CG1 4.35Å; L14-I18 WeakPolarHBondContact O-CD1 3.41Å; L14-I18 WeakPolarHBondContact O-CG1 3.47Å; L14-I18 PolarHBondContact O-N 2.78Å; K15-I18 PolarHBondContact O-N 3.13Å; I18-S20 PolarHBondContact O-N 2.81Å; I18-G21 PolarHBondContact O-N 2.83Å; I18-L22 HydrophobicContact CG2-CD1 3.82Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 3.08Å; I18-L86 HydrophobicContact CD1-CD1 3.66Å; I18-F243 HydrophobicContact CB-CE1 4.38Å; I18-F243 HydrophobicContact CB-CE2 4.31Å; I18-F243 HydrophobicContact CB-CZ 4.07Å; I18-F243 HydrophobicContact CG1-CD2 4.05Å; I18-F243 HydrophobicContact CG1-CE1 4.28Å; I18-F243 HydrophobicContact CG1-CE2 3.39Å; I18-F243 HydrophobicContact CG1-CZ 3.52Å; I18-F243 HydrophobicContact CG2-CE1 4.45Å; I18-F243 HydrophobicContact CG2-CZ 4.18Å; I18-V422 HydrophobicContact CB-CG1 4.24Å; I18-V422 HydrophobicContact CD1-CG2 4.18Å; I18-V422 HydrophobicContact CG2-CG1 3.63Å
19L96.7Very high95.2Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-62-44.1179.2-71.6168.7000111.4K15 E16 G21 L22 M23 I286 V422 M425 I429K15-L19 WeakPolarHBondContact O-CG 3.5Å; K15-L19 PolarHBondContact O-N 3.12Å; E16-L19 PolarHBondContact O-N 2.9Å; L19-G21 VanDerWaalsContact C-N 3.31Å; L19-G21 PolarHBondContact O-N 3.11Å; L19-L22 PolarHBondContact O-N 3.42Å; L19-M23 WeakPolarHBondContact O-CB 3.42Å; L19-M23 WeakPolarHBondContact O-CG 3.44Å; L19-M23 PolarHBondContact O-N 3.37Å; L19-I286 HydrophobicContact CB-CD1 4.05Å; L19-I286 HydrophobicContact CD1-CG2 3.83Å; L19-V422 HydrophobicContact CD2-CG1 4.2Å; L19-V422 HydrophobicContact CG-CG1 4.33Å; L19-M425 HydrophobicContact CD1-CB 3.78Å; L19-M425 HydrophobicContact CD1-CE 3.63Å; L19-M425 HydrophobicContact CD1-CG 4.39Å; L19-M425 HydrophobicContact CD1-SD 3.72Å; L19-M425 HydrophobicContact CD2-CB 4.22Å; L19-I429 HydrophobicContact CD1-CD1 4.3Å; L19-I429 HydrophobicContact CD2-CD1 4.17Å
20S95.9Very high95.1Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-55.8-45.2174.2176.50000111.8E16 C17 I18 S24 H32E16-S20 WeakPolarHBondContact O-CB 3.31Å; E16-S20 PolarHBondContact O-N 3.47Å; C17-S20 PolarHBondContact O-N 2.55Å; I18-S20 PolarHBondContact O-N 2.81Å; S20-S24 WeakPolarHBondContact O-CB 3.38Å; S20-S24 PolarHBondContact O-N 3.48Å; S20-S24 PolarHBondContact O-OG 2.96Å; S20-H32 WeakPolarHBondContact CB-ND1 3.37Å; S20-H32 PolarHBondContact OG-ND1 3.39Å
21G94Very high95Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-62.8-49.7175.700000112.8C17 I18 L19 M23 S24 V25C17-G21 PolarHBondContact O-N 2.94Å; I18-G21 PolarHBondContact O-N 2.83Å; L19-G21 VanDerWaalsContact C-N 3.31Å; L19-G21 PolarHBondContact O-N 3.11Å; G21-M23 VanDerWaalsContact C-N 3.35Å; G21-M23 PolarHBondContact O-N 2.94Å; G21-S24 PolarHBondContact O-N 2.88Å; G21-V25 WeakPolarHBondContact O-CG2 3.43Å; G21-V25 PolarHBondContact O-N 3.46Å
22L94.6Very high95Very high3 Ų317.6 Ų17.62%0.01610%0.101CC..Hα-helixtrans-59.2-44.6178.3-70.4171.5000111.8I18 L19 S24 V25 E26 L89 T93 Y426 F434I18-L22 HydrophobicContact CG2-CD1 3.82Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 3.08Å; L19-L22 PolarHBondContact O-N 3.42Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.88Å; L22-V25 PolarHBondContact O-N 2.92Å; L22-E26 WeakPolarHBondContact O-CG 3.34Å; L22-E26 PolarHBondContact O-N 3.4Å; L22-L89 HydrophobicContact CD1-CD2 4.42Å; L22-L89 HydrophobicContact CD2-CD2 4.41Å; L22-T93 HydrophobicContact CD2-CG2 3.57Å; L22-T93 HydrophobicContact CG-CG2 4.25Å; L22-Y426 HydrophobicContact CB-CD2 4.28Å; L22-Y426 HydrophobicContact CB-CE2 4.25Å; L22-Y426 HydrophobicContact CD1-CD2 3.89Å; L22-Y426 HydrophobicContact CD1-CE2 4.37Å; L22-F434 HydrophobicContact CD2-CD2 4.35Å; L22-F434 HydrophobicContact CD2-CE2 3.81Å
23M95.4Very high95.1Very high2 Ų217.6 Ų17.61%0.0110%0.101CC..Hα-helixtrans-65.2-37177.9-66-59.198.500111.8I7 L19 G21 E26 G27 K28 V30 I286 Y426 I429 T430I7-M23 HydrophobicContact CD1-CB 3.88Å; I7-M23 HydrophobicContact CD1-CG 3.46Å; I7-M23 VanDerWaalsContact CD1-CG 3.46Å; I7-M23 HydrophobicContact CD1-SD 3.54Å; I7-M23 VanDerWaalsContact CD1-SD 3.54Å; L19-M23 WeakPolarHBondContact O-CB 3.42Å; L19-M23 WeakPolarHBondContact O-CG 3.44Å; L19-M23 PolarHBondContact O-N 3.37Å; G21-M23 VanDerWaalsContact C-N 3.35Å; G21-M23 PolarHBondContact O-N 2.94Å; M23-E26 PolarHBondContact O-N 3.27Å; M23-G27 PolarHBondContact O-N 3.42Å; M23-K28 HydrophobicContact CB-CB 4.21Å; M23-K28 HydrophobicContact CB-CG 4.26Å; M23-K28 WeakPolarHBondContact O-CB 3.23Å; M23-K28 WeakPolarHBondContact O-CG 3.46Å; M23-K28 PolarHBondContact O-N 3.09Å; M23-V30 HydrophobicContact CB-CG2 4.01Å; M23-I286 HydrophobicContact CG-CD1 4.49Å; M23-Y426 HydrophobicContact CE-CD2 3.6Å; M23-Y426 HydrophobicContact CE-CE2 3.52Å; M23-I429 HydrophobicContact SD-CG2 3.71Å; M23-T430 HydrophobicContact CE-CG2 3.54Å; M23-T430 HydrophobicContact SD-CG2 4.17Å
24S93.5Very high95.2Very high1 Ų117.6 Ų17.61%0.00710%0.1CC..Hα-helixtrans-65.6-40.9175.3-51.50000111.4S20 G21 L22 E26 G27 S247S20-S24 WeakPolarHBondContact O-CB 3.38Å; S20-S24 PolarHBondContact O-N 3.48Å; S20-S24 PolarHBondContact O-OG 2.96Å; G21-S24 PolarHBondContact O-N 2.88Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.88Å; S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.32Å; S24-G27 WeakPolarHBondContact O-CA 3.19Å; S24-G27 PolarHBondContact O-N 2.9Å; S24-S247 PolarHBondContact OG-OG 3.18Å
25V90.6Very high95.3Very high47 Ų4722.9 Ų22.929%0.28512%0.119SC..Hα-helixtrans-64-32.1175.2171.40000111.9G21 L22 G27 L246 Y250G21-V25 WeakPolarHBondContact O-CG2 3.43Å; G21-V25 PolarHBondContact O-N 3.46Å; L22-V25 PolarHBondContact O-N 2.92Å; V25-G27 PolarHBondContact O-N 3.21Å; V25-L246 HydrophobicContact CG2-CD2 4.29Å; V25-Y250 HydrophobicContact CG2-CD2 4.29Å; V25-Y250 HydrophobicContact CG2-CE1 4.4Å; V25-Y250 HydrophobicContact CG2-CE2 3.93Å
26E91.1Very high95.2Very high75 Ų7524.4 Ų24.435%0.3513%0.128SC..THydrogen-bonded Turntrans-742.5171.5-73.1-177.1-165.600114.4L22 M23 S24 K28 Y426L22-E26 WeakPolarHBondContact O-CG 3.34Å; L22-E26 PolarHBondContact O-N 3.4Å; M23-E26 PolarHBondContact O-N 3.27Å; S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.32Å; E26-K28 HydrophobicContact CB-CG 4.44Å; E26-Y426 WeakPolarHBondContact OE1-CE2 3.43Å; E26-Y426 PolarHBondContact OE1-OH 3.02Å
27G92.8Very high95Very high63 Ų6329.4 Ų29.465%0.64916%0.155SC*.THydrogen-bonded Turntrans77.718.5179.700000113.9M23 S24 V25M23-G27 PolarHBondContact O-N 3.42Å; S24-G27 WeakPolarHBondContact O-CA 3.19Å; S24-G27 PolarHBondContact O-N 2.9Å; V25-G27 PolarHBondContact O-N 3.21Å
28K95.5Very high94.9Very high87 Ų8732.6 Ų32.638%0.37817%0.167SC..  trans-75.8140.3171.9-55.1-56.9-179.4-173.70110.4D6 I7 M23 E26 V30D6-K28 HydrophobicContact CB-CB 4.1Å; D6-K28 HydrophobicContact CB-CD 4.25Å; D6-K28 WeakPolarHBondContact OD2-CA 3.48Å; I7-K28 HydrophobicContact CD1-CB 4.46Å; I7-K28 HydrophobicContact CD1-CG 4.32Å; M23-K28 HydrophobicContact CB-CB 4.21Å; M23-K28 HydrophobicContact CB-CG 4.26Å; M23-K28 WeakPolarHBondContact O-CB 3.23Å; M23-K28 WeakPolarHBondContact O-CG 3.46Å; M23-K28 PolarHBondContact O-N 3.09Å; E26-K28 HydrophobicContact CB-CG 4.44Å; K28-V30 HydrophobicContact CB-CG2 4.24Å; K28-V30 PolarHBondContact O-N 2.86Å
29K95.8Very high94.7Very high81 Ų8135.7 Ų35.735%0.35218%0.179SC..  trans-78.7108.2170.3-168.5178.8178.2178.40109.5E3 Y5 D6 I7E3-K29 WeakPolarHBondContact OE2-CE 3.32Å; E3-K29 IonicContact OE2-NZ 2.64Å; E3-K29 PolarHBondContact OE2-NZ 3Å; Y5-K29 HydrophobicContact CD1-CD 4.27Å; Y5-K29 HydrophobicContact CD1-CG 3.87Å; Y5-K29 HydrophobicContact CE1-CG 4.31Å; D6-K29 PolarHBondContact N-O 3.11Å; D6-K29 PolarHBondContact OD2-N 3.22Å; I7-K29 PolarHBondContact N-O 3.35Å
30V96.9Very high94.5Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-109.2133.4-173.6-176.80000111.3I7 V9 M23 K28 G252 T253I7-V30 WeakPolarHBondContact O-CA 3.39Å; V9-V30 HydrophobicContact CG2-CG1 3.86Å; M23-V30 HydrophobicContact CB-CG2 4.01Å; K28-V30 HydrophobicContact CB-CG2 4.24Å; K28-V30 PolarHBondContact O-N 2.86Å; V30-G252 CarbonylContact O-C 3.57Å; V30-G252 VanDerWaalsContact O-CA 3.32Å; V30-G252 WeakPolarHBondContact O-CA 3.47Å; V30-T253 PolarHBondContact O-N 3.28Å
31L96.7Very high94.3Very high0 Ų036.3 Ų36.30%019%0.185CC..EExtended strand (participates in β ladder)trans-111.9120.5162.7167.766.2000108.7Y5 I7 I8 V9 M33 T253 M255 A280Y5-L31 HydrophobicContact CD1-CB 3.52Å; Y5-L31 HydrophobicContact CD2-CB 4.08Å; Y5-L31 HydrophobicContact CD2-CD2 4.16Å; Y5-L31 HydrophobicContact CE1-CB 3.52Å; Y5-L31 HydrophobicContact CE2-CB 4.06Å; Y5-L31 HydrophobicContact CE2-CD2 3.78Å; Y5-L31 HydrophobicContact CE2-CG 4.49Å; Y5-L31 HydrophobicContact CG-CB 3.82Å; I7-L31 PolarHBondContact O-N 3.29Å; I8-L31 CarbonylContact C-O 3.55Å; I8-L31 VanDerWaalsContact CA-O 3.25Å; I8-L31 WeakPolarHBondContact CA-O 3.41Å; I8-L31 HydrophobicContact CD1-CD2 4.23Å; I8-L31 HydrophobicContact CG1-CB 4.13Å; I8-L31 HydrophobicContact CG1-CD2 4.24Å; I8-L31 HydrophobicContact CG1-CG 4.49Å; V9-L31 PolarHBondContact N-O 3.15Å; L31-M33 HydrophobicContact CD1-CG 4.01Å; L31-M33 HydrophobicContact CD2-CE 4.35Å; L31-M33 HydrophobicContact CD2-CG 4.29Å; L31-M33 HydrophobicContact CD2-SD 3.91Å; L31-M33 HydrophobicContact CG-CG 3.91Å; L31-M33 HydrophobicContact CG-SD 4.2Å; L31-T253 CarbonylContact C-O 3.45Å; L31-T253 WeakPolarHBondContact CA-O 3.31Å; L31-T253 HydrophobicContact CD1-CG2 3.89Å; L31-M255 HydrophobicContact CD1-CE 3.94Å; L31-M255 HydrophobicContact CD1-CG 4.21Å; L31-M255 HydrophobicContact CD1-SD 4.09Å; L31-A280 HydrophobicContact CD2-CB 3.7Å
32H96.8Very high94.1Very high0 Ų040.8 Ų40.80%021%0.208CC..EExtended strand (participates in β ladder)trans-111.9118.8-179.2-159.9137000109.5V9 G11 S20 T253 Y254 M255V9-H32 HydrophobicContact CB-CB 4.34Å; V9-H32 VanDerWaalsContact CG1-CE1 3.44Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.36Å; V9-H32 CarbonylContact O-C 3.56Å; V9-H32 WeakPolarHBondContact O-CA 3.36Å; G11-H32 PolarHBondContact O-NE2 3.42Å; S20-H32 WeakPolarHBondContact CB-ND1 3.37Å; S20-H32 PolarHBondContact OG-ND1 3.39Å; H32-T253 PolarHBondContact N-O 3.16Å; H32-Y254 HydrophobicContact CB-CD1 4.23Å; H32-Y254 HydrophobicContact CB-CD2 3.58Å; H32-Y254 HydrophobicContact CB-CE1 4.15Å; H32-Y254 HydrophobicContact CB-CE2 3.44Å; H32-Y254 VanDerWaalsContact CB-CE2 3.44Å; H32-Y254 HydrophobicContact CB-CG 4Å; H32-Y254 AromaticContact CD2-CE1 3.77Å; H32-Y254 AromaticContact CD2-CZ 3.69Å; H32-Y254 AromaticContact CE1-CZ 3.56Å; H32-Y254 PolarHBondContact CE1-OH 2.6Å; H32-Y254 AromaticContact CG-CE1 3.75Å; H32-Y254 AromaticContact CG-CE2 3.43Å; H32-Y254 VanDerWaalsContact CG-CE2 3.43Å; H32-Y254 AromaticContact CG-CZ 3.29Å; H32-Y254 AromaticContact ND1-CE2 3.36Å; H32-Y254 WeakPolarHBondContact ND1-CE2 3.48Å; H32-Y254 AromaticContact ND1-CZ 3.21Å; H32-Y254 PolarHBondContact ND1-OH 3.16Å; H32-Y254 AromaticContact NE2-CZ 3.84Å; H32-Y254 PolarHBondContact NE2-OH 3.29Å; H32-Y254 CarbonylContact O-C 3.23Å; H32-Y254 WeakPolarHBondContact O-CA 3.38Å; H32-M255 PolarHBondContact O-N 3.49Å
33M96.3Very high94Very high0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-121.1144.6-176.8-60.3-173.9-63.400111.3M1 I8 V9 L10 G11 L31 M255 K258 V273M1-M33 HydrophobicContact SD-SD 4.33Å; I8-M33 HydrophobicContact CG2-CE 3.75Å; V9-M33 PolarHBondContact O-N 3.03Å; L10-M33 CarbonylContact C-O 3.58Å; L10-M33 WeakPolarHBondContact CA-O 3.25Å; L10-M33 HydrophobicContact CD2-CB 4.2Å; L10-M33 HydrophobicContact CD2-CE 3.47Å; L10-M33 VanDerWaalsContact CD2-CE 3.47Å; G11-M33 PolarHBondContact N-O 3.37Å; L31-M33 HydrophobicContact CD1-CG 4.01Å; L31-M33 HydrophobicContact CD2-CE 4.35Å; L31-M33 HydrophobicContact CD2-CG 4.29Å; L31-M33 HydrophobicContact CD2-SD 3.91Å; L31-M33 HydrophobicContact CG-CG 3.91Å; L31-M33 HydrophobicContact CG-SD 4.2Å; M33-M255 CarbonylContact C-O 3.54Å; M33-M255 VanDerWaalsContact CA-O 3.29Å; M33-M255 WeakPolarHBondContact CA-O 3.42Å; M33-M255 HydrophobicContact CG-CB 4.34Å; M33-K258 HydrophobicContact CB-CB 4.37Å; M33-K258 HydrophobicContact CB-CG 4.45Å; M33-K258 HydrophobicContact CG-CG 4.28Å; M33-K258 HydrophobicContact SD-CG 3.83Å; M33-V273 HydrophobicContact CE-CB 4.06Å; M33-V273 HydrophobicContact CE-CG1 3.69Å
34D96.7Very high93.9Very high1 Ų141.4 Ų41.41%0.00521%0.212CC..  trans-134.4139168.7-153.2-44.7000110.3T12 N36 M255 L256 E257 K258 Y291T12-D34 VanDerWaalsContact CB-OD2 3.31Å; T12-D34 WeakPolarHBondContact CB-OD2 3.3Å; T12-D34 HydrophobicContact CG2-CB 3.81Å; T12-D34 WeakPolarHBondContact CG2-OD2 3.36Å; T12-D34 PolarHBondContact N-OD2 3.27Å; T12-D34 PolarHBondContact OG1-OD2 2.87Å; D34-N36 PolarHBondContact O-N 3.11Å; D34-N36 WeakPolarHBondContact OD1-CB 3.05Å; D34-N36 PolarHBondContact OD1-N 2.81Å; D34-N36 PolarHBondContact OD1-ND2 3.47Å; D34-M255 PolarHBondContact N-O 2.96Å; D34-L256 HydrophobicContact CB-CD2 3.72Å; D34-L256 CarbonylContact O-C 3.58Å; D34-E257 PolarHBondContact O-N 3.25Å; D34-E257 VanDerWaalsContact O-N 3.12Å; D34-K258 CarbonylContact C-O 3.59Å; D34-K258 PolarHBondContact O-N 3.08Å; D34-Y291 PolarHBondContact OD1-OH 2.97Å; D34-Y291 VanDerWaalsContact OD1-OH 3.1Å
35R96.7Very high94.1Very high115 Ų11542.2 Ų42.243%0.43422%0.218SC..SBendtrans-69.4-23.8170.669.2-173.5165.6-153.5-10.8112.8K258 S290 Y291R35-K258 PolarHBondContact N-O 3.07Å; R35-S290 VanDerWaalsContact NH2-CB 3.26Å; R35-S290 PolarHBondContact NH2-OG 3.13Å; R35-Y291 PolarHBondContact N-OH 3.08Å; R35-Y291 VanDerWaalsContact N-OH 3.08Å
36N94.9Very high94.4Very high37 Ų3740.7 Ų40.720%0.19821%0.209CC..SBendtrans-79.6156.8179.2-57.7-67.4000111.2D34 Y38 E257D34-N36 PolarHBondContact O-N 3.11Å; D34-N36 WeakPolarHBondContact OD1-CB 3.05Å; D34-N36 PolarHBondContact OD1-N 2.81Å; D34-N36 PolarHBondContact OD1-ND2 3.47Å; N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 HydrophobicContact CB-CD1 4.17Å; N36-Y38 HydrophobicContact CB-CD2 4.28Å; N36-Y38 HydrophobicContact CB-CE1 4.02Å; N36-Y38 HydrophobicContact CB-CE2 4.14Å; N36-Y38 HydrophobicContact CB-CG 4.29Å; N36-E257 PolarHBondContact O-N 3.28Å
37N93.6Very high94.6Very high105 Ų10540.3 Ų40.356%0.56121%0.212SC*.SBendtrans-89.411.217269-15.6000113.3E257N37-E257 HydrophobicContact CB-CG 3.33Å; N37-E257 WeakPolarHBondContact CB-OE1 3.31Å
38Y92.5Very high94.8Very high67 Ų6740 Ų4026%0.26320%0.198SC..SBendtrans-139.3160-178.859-102.2000110.4N36 T44 R55N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 HydrophobicContact CB-CD1 4.17Å; N36-Y38 HydrophobicContact CB-CD2 4.28Å; N36-Y38 HydrophobicContact CB-CE1 4.02Å; N36-Y38 HydrophobicContact CB-CE2 4.14Å; N36-Y38 HydrophobicContact CB-CG 4.29Å; Y38-T44 HydrophobicContact CD2-CG2 4.24Å; Y38-T44 HydrophobicContact CE2-CG2 3.97Å; Y38-R55 PolarHBondContact OH-NH1 2.91Å
39Y92.2Very high94.9Very high66 Ų6635.9 Ų35.926%0.25918%0.18SC..SBendtrans-86.1154.8178.1-65.5-83.2000112.9T12 T44 Q241 A244 Y254 L256T12-Y39 HydrophobicContact CG2-CD1 4.01Å; T12-Y39 HydrophobicContact CG2-CE1 4.48Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.36Å; Y39-T44 WeakPolarHBondContact O-CB 3.22Å; Y39-T44 PolarHBondContact O-OG1 2.91Å; Y39-Q241 HydrophobicContact CD2-CG 3.52Å; Y39-Q241 HydrophobicContact CE2-CG 4.07Å; Y39-Q241 HydrophobicContact CG-CG 3.82Å; Y39-A244 HydrophobicContact CD1-CB 4.4Å; Y39-A244 HydrophobicContact CE1-CB 3.67Å; Y39-Y254 HydrophobicContact CD1-CE1 4.16Å; Y39-Y254 AromaticContact CE1-CD1 3.8Å; Y39-Y254 HydrophobicContact CE1-CD1 3.8Å; Y39-Y254 AromaticContact CE1-CE1 3.58Å; Y39-Y254 HydrophobicContact CE1-CE1 3.58Å; Y39-L256 HydrophobicContact CD1-CD2 4.25Å; Y39-L256 HydrophobicContact CD2-CD1 4.17Å; Y39-L256 HydrophobicContact CE1-CD1 4.27Å; Y39-L256 HydrophobicContact CE1-CD2 4.1Å; Y39-L256 HydrophobicContact CE1-CG 4.4Å; Y39-L256 HydrophobicContact CE2-CD1 3.76Å
40G92Very high95Very high0 Ų036.2 Ų36.20%018%0.183CC..SBendtrans100.9-14.716600000115T12 D42 T43T12-G40 CarbonylContact O-C 3.53Å; T12-G40 WeakPolarHBondContact O-CA 3.44Å; T12-G40 PolarHBondContact O-N 3.39Å; T12-G40 PolarHBondContact OG1-N 2.79Å; G40-D42 PolarHBondContact O-N 2.78Å; G40-T43 WeakPolarHBondContact O-CA 3.4Å; G40-T43 PolarHBondContact O-N 2.91Å; G40-T43 PolarHBondContact O-OG1 2.87Å
41A91.3Very high95Very high13 Ų1337.8 Ų37.811%0.10720%0.196CC..G310 helixtrans45.6-114.4-173.100000111.8T43 T44A41-T43 VanDerWaalsContact C-N 3.29Å; A41-T43 PolarHBondContact O-N 3.07Å; A41-T44 WeakPolarHBondContact O-CB 3.2Å; A41-T44 WeakPolarHBondContact O-CG2 3.17Å; A41-T44 PolarHBondContact O-N 3Å
42D90Very high95Very high93 Ų9337.8 Ų37.850%0.49720%0.196SC..G310 helixtrans-69.7-20.8177.9-73.8-17000114.1G40 L75 I76G40-D42 PolarHBondContact O-N 2.78Å; D42-L75 WeakPolarHBondContact O-CB 3.48Å; D42-I76 HydrophobicContact CB-CD1 3.97Å; D42-I76 WeakPolarHBondContact O-CD1 3.48Å; D42-I76 WeakPolarHBondContact O-CG1 3.35Å
43T92Very high95.1Very high6 Ų638 Ų384%0.03720%0.197CC..G310 helixtrans-99.417.3177.762.70000112.9G40 A41 I76 Y409G40-T43 WeakPolarHBondContact O-CA 3.4Å; G40-T43 PolarHBondContact O-N 2.91Å; G40-T43 PolarHBondContact O-OG1 2.87Å; A41-T43 VanDerWaalsContact C-N 3.29Å; A41-T43 PolarHBondContact O-N 3.07Å; T43-I76 HydrophobicContact CG2-CB 4.42Å; T43-Y409 HydrophobicContact CG2-CD1 3.97Å; T43-Y409 HydrophobicContact CG2-CD2 3.82Å; T43-Y409 HydrophobicContact CG2-CE1 3.64Å; T43-Y409 HydrophobicContact CG2-CE2 3.51Å; T43-Y409 HydrophobicContact CG2-CG 4.05Å; T43-Y409 VanDerWaalsContact CG2-CZ 3.4Å
44T94.8Very high95.1Very high12 Ų1245.2 Ų45.27%0.07423%0.231CC..PPolyproline II helixtrans-66.6150.7178.7-163.10000112.2Y38 Y39 A41 V46 L75Y38-T44 HydrophobicContact CD2-CG2 4.24Å; Y38-T44 HydrophobicContact CE2-CG2 3.97Å; Y39-T44 WeakPolarHBondContact O-CB 3.22Å; Y39-T44 PolarHBondContact O-OG1 2.91Å; A41-T44 WeakPolarHBondContact O-CB 3.2Å; A41-T44 WeakPolarHBondContact O-CG2 3.17Å; A41-T44 PolarHBondContact O-N 3Å; T44-V46 HydrophobicContact CG2-CG2 4.17Å; T44-L75 HydrophobicContact CG2-CD1 3.71Å; T44-L75 HydrophobicContact CG2-CG 4.17Å; T44-L75 PolarHBondContact O-N 3.16Å; T44-L75 VanDerWaalsContact O-N 3.11Å
45S96.3Very high95.1Very high19 Ų1950 Ų5013%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-92.9118.6165.2-45.90000108.7D74 G237S45-D74 WeakPolarHBondContact CB-OD1 3.12Å; S45-D74 PolarHBondContact OG-OD1 3.22Å; S45-G237 VanDerWaalsContact OG-CA 3.31Å; S45-G237 WeakPolarHBondContact OG-CA 3.34Å; S45-G237 PolarHBondContact OG-N 3.42Å
46V97.1Very high95.1Very high14 Ų1446.5 Ų46.59%0.08524%0.237CC..EExtended strand (participates in β ladder)trans-84.1124.3179.8-173.10000109.9T44 A51 L52 V73 L75T44-V46 HydrophobicContact CG2-CG2 4.17Å; V46-A51 HydrophobicContact CG1-CB 3.74Å; V46-L52 HydrophobicContact CB-CB 4.4Å; V46-L52 HydrophobicContact CB-CD1 4.15Å; V46-L52 HydrophobicContact CG1-CB 3.97Å; V46-L52 HydrophobicContact CG1-CD1 4.46Å; V46-L52 VanDerWaalsContact CG1-N 3.34Å; V46-L52 HydrophobicContact CG2-CD1 4.31Å; V46-V73 PolarHBondContact N-O 2.82Å; V46-V73 PolarHBondContact O-N 2.81Å; V46-L75 HydrophobicContact CG2-CD1 4.31Å; V46-L75 HydrophobicContact CG2-CD2 3.76Å; V46-L75 HydrophobicContact CG2-CG 3.95Å
47T96.9Very high95.2Very high68 Ų6853 Ų5342%0.41727%0.266SS..  trans-147.8145.1175.6-171.50000109.6W71 N72T47-W71 WeakPolarHBondContact CB-O 3.45Å; T47-W71 PolarHBondContact OG1-O 2.8Å; T47-N72 WeakPolarHBondContact CB-OD1 3.44Å
48P96.8Very high95.2Very high55 Ų5549.7 Ų49.736%0.35725%0.249SC..SBendcis-72.9177.1-7.136.1-38.6000111.8E50 A51 G68P48-E50 VanDerWaalsContact CB-OE2 3.31Å; P48-E50 WeakPolarHBondContact CB-OE2 3.4Å; P48-E50 HydrophobicContact CG-CB 4.49Å; P48-E50 WeakPolarHBondContact CG-OE2 3.47Å; P48-E50 PolarHBondContact O-N 3.48Å; P48-E50 VanDerWaalsContact O-N 3.11Å; P48-A51 WeakPolarHBondContact O-CB 3.31Å; P48-A51 PolarHBondContact O-N 3.09Å; P48-G68 WeakPolarHBondContact CA-O 3.44Å; P48-G68 VanDerWaalsContact CB-C 3.41Å; P48-G68 WeakPolarHBondContact CB-O 3.3Å
49L97.7Very high95.2Very high2 Ų254.8 Ų54.81%0.0128%0.281CS..Hα-helixtrans-51.6-36.2-179.2-17363.8000113.7A51 L52 F53 L62 F65 G68 W71 I308L49-A51 PolarHBondContact O-N 2.96Å; L49-L52 HydrophobicContact CD1-CD2 4.02Å; L49-L52 VanDerWaalsContact O-CB 3.3Å; L49-L52 WeakPolarHBondContact O-CB 3.35Å; L49-L52 PolarHBondContact O-N 2.77Å; L49-F53 HydrophobicContact CD1-CD2 4.18Å; L49-F53 HydrophobicContact CD1-CE2 3.84Å; L49-F53 HydrophobicContact CD2-CE2 4.09Å; L49-F53 HydrophobicContact CG-CD2 3.99Å; L49-F53 HydrophobicContact CG-CE2 3.78Å; L49-F53 WeakPolarHBondContact O-CD2 3.44Å; L49-F53 PolarHBondContact O-N 2.99Å; L49-L62 HydrophobicContact CD2-CD2 4.28Å; L49-F65 HydrophobicContact CD2-CB 3.38Å; L49-F65 HydrophobicContact CD2-CD2 4.11Å; L49-F65 HydrophobicContact CD2-CG 3.83Å; L49-G68 PolarHBondContact N-O 3.3Å; L49-W71 HydrophobicContact CB-CB 4.02Å; L49-W71 HydrophobicContact CB-CD2 4.44Å; L49-W71 HydrophobicContact CB-CG 3.84Å; L49-W71 HydrophobicContact CD1-CB 4.33Å; L49-W71 HydrophobicContact CD1-CD2 3.83Å; L49-W71 HydrophobicContact CD1-CE3 3.93Å; L49-W71 HydrophobicContact CD1-CG 4.02Å; L49-W71 HydrophobicContact CD2-CD2 4.09Å; L49-W71 HydrophobicContact CD2-CG 4.26Å; L49-W71 HydrophobicContact CD2-CZ2 4.27Å; L49-W71 HydrophobicContact CG-CD2 4.35Å; L49-W71 HydrophobicContact CG-CG 4.26Å; L49-I308 HydrophobicContact CD1-CD1 4.08Å
50E97.2Very high95.2Very high88 Ų8854 Ų5441%0.41129%0.288SS..Hα-helixtrans-53.1-41.2175.7-67.769.9-167.300111.9P48 L52 F53 Q54 L62 G68P48-E50 VanDerWaalsContact CB-OE2 3.31Å; P48-E50 WeakPolarHBondContact CB-OE2 3.4Å; P48-E50 HydrophobicContact CG-CB 4.49Å; P48-E50 WeakPolarHBondContact CG-OE2 3.47Å; P48-E50 PolarHBondContact O-N 3.48Å; P48-E50 VanDerWaalsContact O-N 3.11Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 3.21Å; E50-F53 PolarHBondContact O-N 3.25Å; E50-Q54 WeakPolarHBondContact O-CB 3.43Å; E50-Q54 PolarHBondContact O-N 2.83Å; E50-L62 HydrophobicContact CB-CD1 4.17Å; E50-L62 HydrophobicContact CG-CD1 3.59Å; E50-G68 WeakPolarHBondContact OE2-CA 3.38Å
51A96.7Very high95.2Very high32 Ų3257.8 Ų57.826%0.26432%0.315SS..Hα-helixtrans-66.9-31.618000000111.8V46 P48 L49 R55V46-A51 HydrophobicContact CG1-CB 3.74Å; P48-A51 WeakPolarHBondContact O-CB 3.31Å; P48-A51 PolarHBondContact O-N 3.09Å; L49-A51 PolarHBondContact O-N 2.96Å; A51-R55 VanDerWaalsContact O-CB 3.23Å; A51-R55 WeakPolarHBondContact O-CB 2.99Å; A51-R55 PolarHBondContact O-N 2.91Å
52L97.5Very high95.4Very high0 Ų058.9 Ų58.90%032%0.318CS..Hα-helixtrans-65.6-50.6174-176.673.2000110.4V46 L49 E50 Q54 R55 F56 V73 L75 F385V46-L52 HydrophobicContact CB-CB 4.4Å; V46-L52 HydrophobicContact CB-CD1 4.15Å; V46-L52 HydrophobicContact CG1-CB 3.97Å; V46-L52 HydrophobicContact CG1-CD1 4.46Å; V46-L52 VanDerWaalsContact CG1-N 3.34Å; V46-L52 HydrophobicContact CG2-CD1 4.31Å; L49-L52 HydrophobicContact CD1-CD2 4.02Å; L49-L52 VanDerWaalsContact O-CB 3.3Å; L49-L52 WeakPolarHBondContact O-CB 3.35Å; L49-L52 PolarHBondContact O-N 2.77Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 3.21Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 2.85Å; L52-R55 PolarHBondContact O-N 3.02Å; L52-F56 HydrophobicContact CD1-CD2 3.97Å; L52-F56 HydrophobicContact CD1-CE2 3.69Å; L52-F56 HydrophobicContact CG-CD2 4.33Å; L52-F56 HydrophobicContact CG-CE2 4.49Å; L52-F56 WeakPolarHBondContact O-CD2 3.38Å; L52-F56 PolarHBondContact O-N 2.73Å; L52-F56 VanDerWaalsContact O-N 3.15Å; L52-V73 HydrophobicContact CD1-CB 4.3Å; L52-V73 HydrophobicContact CD1-CG1 4Å; L52-V73 HydrophobicContact CD2-CB 4Å; L52-V73 HydrophobicContact CD2-CG1 3.82Å; L52-V73 HydrophobicContact CD2-CG2 3.96Å; L52-L75 HydrophobicContact CD1-CD2 4.3Å; L52-F385 HydrophobicContact CD2-CD2 4.1Å; L52-F385 HydrophobicContact CD2-CE2 3.47Å; L52-F385 VanDerWaalsContact CD2-CE2 3.47Å; L52-F385 HydrophobicContact CD2-CZ 3.74Å; L52-F385 HydrophobicContact CG-CD2 4.5Å; L52-F385 HydrophobicContact CG-CE1 4.46Å; L52-F385 HydrophobicContact CG-CE2 4.09Å; L52-F385 HydrophobicContact CG-CZ 4.02Å
53F97.9Very high95.6Very high6 Ų662.9 Ų62.93%0.02633%0.334CS..Hα-helixtrans-60.5-42.7178.3-82.5-109.9000111.5L49 E50 F56 H57 V58 A60 L62 F65 I308 H383 F385L49-F53 HydrophobicContact CD1-CD2 4.18Å; L49-F53 HydrophobicContact CD1-CE2 3.84Å; L49-F53 HydrophobicContact CD2-CE2 4.09Å; L49-F53 HydrophobicContact CG-CD2 3.99Å; L49-F53 HydrophobicContact CG-CE2 3.78Å; L49-F53 WeakPolarHBondContact O-CD2 3.44Å; L49-F53 PolarHBondContact O-N 2.99Å; E50-F53 PolarHBondContact O-N 3.25Å; F53-F56 CarbonylContact O-C 3.48Å; F53-F56 PolarHBondContact O-N 2.59Å; F53-H57 PolarHBondContact O-N 2.78Å; F53-H57 VanDerWaalsContact O-N 3.11Å; F53-V58 HydrophobicContact CB-CB 4.47Å; F53-V58 HydrophobicContact CD1-CB 3.85Å; F53-V58 HydrophobicContact CD1-CG1 3.73Å; F53-V58 HydrophobicContact CE1-CG1 4.1Å; F53-V58 PolarHBondContact O-N 2.81Å; F53-A60 HydrophobicContact CD1-CB 4.13Å; F53-A60 HydrophobicContact CE1-CB 3.83Å; F53-L62 HydrophobicContact CD1-CD2 3.67Å; F53-L62 HydrophobicContact CD2-CD2 3.51Å; F53-L62 HydrophobicContact CE1-CD2 3.56Å; F53-L62 HydrophobicContact CE2-CD2 3.36Å; F53-L62 HydrophobicContact CG-CD2 3.65Å; F53-L62 HydrophobicContact CZ-CD2 3.4Å; F53-F65 HydrophobicContact CZ-CD2 4.36Å; F53-F65 AromaticContact CZ-CE2 3.9Å; F53-F65 HydrophobicContact CZ-CE2 3.9Å; F53-F65 HydrophobicContact CZ-CZ 4.41Å; F53-I308 HydrophobicContact CE2-CD1 4.3Å; F53-H383 AromaticContact CE1-CD2 3.31Å; F53-H383 WeakPolarHBondContact CE1-CD2 3.48Å; F53-H383 AromaticContact CE1-NE2 3.6Å; F53-H383 HydrophobicContact CZ-CB 4.48Å; F53-H383 AromaticContact CZ-CD2 3.5Å; F53-H383 VanDerWaalsContact CZ-CD2 3.5Å; F53-H383 WeakPolarHBondContact CZ-CD2 3.23Å; F53-F385 HydrophobicContact CD1-CE1 4.27Å; F53-F385 HydrophobicContact CD1-CZ 4.37Å; F53-F385 HydrophobicContact CD2-CE1 4.16Å; F53-F385 AromaticContact CD2-CZ 3.7Å; F53-F385 HydrophobicContact CD2-CZ 3.7Å; F53-F385 HydrophobicContact CE1-CE1 4.4Å; F53-F385 HydrophobicContact CE1-CZ 4.21Å; F53-F385 HydrophobicContact CE2-CE1 4.34Å; F53-F385 HydrophobicContact CE2-CE2 4.48Å; F53-F385 AromaticContact CE2-CZ 3.55Å; F53-F385 HydrophobicContact CE2-CZ 3.55Å; F53-F385 HydrophobicContact CG-CE1 4.14Å; F53-F385 HydrophobicContact CG-CZ 4.13Å; F53-F385 HydrophobicContact CZ-CE1 4.45Å; F53-F385 AromaticContact CZ-CZ 3.81Å; F53-F385 HydrophobicContact CZ-CZ 3.81Å
54Q97Very high95.7Very high151 Ų15166 Ų6671%0.70636%0.36SS*.Hα-helixtrans-61.3-45.1175.3-174.8-179.45.200112.2E50 L52 F56 H57E50-Q54 WeakPolarHBondContact O-CB 3.43Å; E50-Q54 PolarHBondContact O-N 2.83Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 2.85Å; Q54-F56 PolarHBondContact O-N 2.84Å; Q54-H57 PolarHBondContact O-N 2.91Å
55R95.6Very high95.8Very high100 Ų10066 Ų6638%0.37736%0.36SS..Hα-helixtrans-58.8-35.6179.6-176176.4-17393.6-1112.4Y38 A51 L52Y38-R55 PolarHBondContact OH-NH1 2.91Å; A51-R55 VanDerWaalsContact O-CB 3.23Å; A51-R55 WeakPolarHBondContact O-CB 2.99Å; A51-R55 PolarHBondContact O-N 2.91Å; L52-R55 PolarHBondContact O-N 3.02Å
56F96.8Very high95.7Very high43 Ų4367.7 Ų67.719%0.18938%0.379CS..THydrogen-bonded Turntrans-95.111.1177.5-73.2-81.8000113.7L52 F53 Q54 V58 L75 I306 F385 Y386L52-F56 HydrophobicContact CD1-CD2 3.97Å; L52-F56 HydrophobicContact CD1-CE2 3.69Å; L52-F56 HydrophobicContact CG-CD2 4.33Å; L52-F56 HydrophobicContact CG-CE2 4.49Å; L52-F56 WeakPolarHBondContact O-CD2 3.38Å; L52-F56 PolarHBondContact O-N 2.73Å; L52-F56 VanDerWaalsContact O-N 3.15Å; F53-F56 CarbonylContact O-C 3.48Å; F53-F56 PolarHBondContact O-N 2.59Å; Q54-F56 PolarHBondContact O-N 2.84Å; F56-V58 HydrophobicContact CB-CG2 4.02Å; F56-V58 PolarHBondContact O-N 3.19Å; F56-L75 HydrophobicContact CE2-CD2 4.07Å; F56-L75 HydrophobicContact CZ-CD2 4.29Å; F56-I306 HydrophobicContact CE2-CD1 4.28Å; F56-I306 HydrophobicContact CZ-CD1 4.16Å; F56-F385 HydrophobicContact CB-CB 4.41Å; F56-F385 HydrophobicContact CB-CD1 3.57Å; F56-F385 HydrophobicContact CB-CE1 4.27Å; F56-F385 HydrophobicContact CB-CG 4.4Å; F56-F385 HydrophobicContact CD1-CB 3.81Å; F56-F385 HydrophobicContact CD2-CB 3.83Å; F56-F385 AromaticContact CD2-CD1 3.78Å; F56-F385 HydrophobicContact CD2-CD1 3.78Å; F56-F385 AromaticContact CD2-CG 3.93Å; F56-F385 HydrophobicContact CD2-CG 3.93Å; F56-F385 HydrophobicContact CE1-CB 3.92Å; F56-F385 HydrophobicContact CE2-CB 3.98Å; F56-F385 HydrophobicContact CE2-CG 4.36Å; F56-F385 HydrophobicContact CG-CB 3.76Å; F56-F385 AromaticContact CG-CD1 3.71Å; F56-F385 HydrophobicContact CG-CD1 3.71Å; F56-F385 HydrophobicContact CG-CG 4.07Å; F56-F385 HydrophobicContact CZ-CB 4.02Å; F56-Y386 WeakPolarHBondContact CE1-O 3.45Å
57H96.7Very high95.6Very high174 Ų17474.3 Ų74.381%0.80640%0.403SS*.THydrogen-bonded Turntrans54.334.7-179.7-52.8-61.9000114F53 Q54F53-H57 PolarHBondContact O-N 2.78Å; F53-H57 VanDerWaalsContact O-N 3.11Å; Q54-H57 PolarHBondContact O-N 2.91Å
58V94.9Very high95.6Very high35 Ų3571.4 Ų71.421%0.21239%0.386CS..  trans-95.2116.2178-174.50000110.1F53 F56 A60 H383 F385F53-V58 HydrophobicContact CB-CB 4.47Å; F53-V58 HydrophobicContact CD1-CB 3.85Å; F53-V58 HydrophobicContact CD1-CG1 3.73Å; F53-V58 HydrophobicContact CE1-CG1 4.1Å; F53-V58 PolarHBondContact O-N 2.81Å; F56-V58 HydrophobicContact CB-CG2 4.02Å; F56-V58 PolarHBondContact O-N 3.19Å; V58-A60 HydrophobicContact CG1-CB 3.96Å; V58-H383 WeakPolarHBondContact CG1-NE2 3.18Å; V58-F385 HydrophobicContact CB-CE1 4.4Å; V58-F385 HydrophobicContact CG2-CD1 3.92Å; V58-F385 HydrophobicContact CG2-CE1 3.87Å
59N92.2Very high95.6Very high173 Ų17375.4 Ų75.493%0.92540%0.398SS*.  trans-93.397166.6-79.7-22.6000110.1
60A91.8Very high95.6Very high49 Ų4977.6 Ų77.641%0.40541%0.41SS..  trans-138.3156.5176.100000111.3F53 V58 L62F53-A60 HydrophobicContact CD1-CB 4.13Å; F53-A60 HydrophobicContact CE1-CB 3.83Å; V58-A60 HydrophobicContact CG1-CB 3.96Å; A60-L62 PolarHBondContact O-N 2.82Å
61S93Very high95.6Very high81 Ų8173.4 Ų73.457%0.56639%0.39SS*.  trans-69.5128.8174.3179.80000110.5
62L95Very high95.7Very high35 Ų3573.2 Ų73.218%0.18339%0.385CS..  trans-95.8-2.8-179.2-60.1177.4000114.1L49 E50 F53 A60 A64 F65L49-L62 HydrophobicContact CD2-CD2 4.28Å; E50-L62 HydrophobicContact CB-CD1 4.17Å; E50-L62 HydrophobicContact CG-CD1 3.59Å; F53-L62 HydrophobicContact CD1-CD2 3.67Å; F53-L62 HydrophobicContact CD2-CD2 3.51Å; F53-L62 HydrophobicContact CE1-CD2 3.56Å; F53-L62 HydrophobicContact CE2-CD2 3.36Å; F53-L62 HydrophobicContact CG-CD2 3.65Å; F53-L62 HydrophobicContact CZ-CD2 3.4Å; A60-L62 PolarHBondContact O-N 2.82Å; L62-A64 PolarHBondContact O-N 3.22Å; L62-A64 VanDerWaalsContact O-N 3.09Å; L62-F65 HydrophobicContact CD2-CD2 4.06Å; L62-F65 HydrophobicContact CD2-CE2 4.4Å; L62-F65 PolarHBondContact O-N 3.1Å
63Q93.4Very high95.7Very high177 Ų17773.2 Ų73.283%0.82739%0.385SS*.G310 helixtrans-56.6-32.8-173.8-68.3-178.6-9.900113.2F65Q63-F65 VanDerWaalsContact C-N 3.26Å; Q63-F65 PolarHBondContact O-N 3.48Å
64A95Very high95.7Very high72 Ų7273.1 Ų73.160%0.59539%0.385SS*.G310 helixtrans-71-18.6-179.800000113.7L62 F353L62-A64 PolarHBondContact O-N 3.22Å; L62-A64 VanDerWaalsContact O-N 3.09Å; A64-F353 VanDerWaalsContact O-CZ 3.29Å; A64-F353 WeakPolarHBondContact O-CZ 3.34Å
65F96.5Very high95.7Very high13 Ų1366.8 Ų66.86%0.05736%0.355CS..G310 helixtrans-976.9-172.4-58.6-70.7000114L49 F53 L62 Q63 W71 I308 F353 E382 H383L49-F65 HydrophobicContact CD2-CB 3.38Å; L49-F65 HydrophobicContact CD2-CD2 4.11Å; L49-F65 HydrophobicContact CD2-CG 3.83Å; F53-F65 HydrophobicContact CZ-CD2 4.36Å; F53-F65 AromaticContact CZ-CE2 3.9Å; F53-F65 HydrophobicContact CZ-CE2 3.9Å; F53-F65 HydrophobicContact CZ-CZ 4.41Å; L62-F65 HydrophobicContact CD2-CD2 4.06Å; L62-F65 HydrophobicContact CD2-CE2 4.4Å; L62-F65 PolarHBondContact O-N 3.1Å; Q63-F65 VanDerWaalsContact C-N 3.26Å; Q63-F65 PolarHBondContact O-N 3.48Å; F65-W71 HydrophobicContact CB-CZ2 3.81Å; F65-W71 HydrophobicContact CD1-CH2 4.27Å; F65-W71 HydrophobicContact CD1-CZ2 4.12Å; F65-W71 HydrophobicContact CG-CZ2 4.38Å; F65-W71 PolarHBondContact O-NE1 3.03Å; F65-I308 HydrophobicContact CD1-CG2 4.02Å; F65-I308 HydrophobicContact CE1-CB 4.47Å; F65-I308 HydrophobicContact CE1-CD1 4.46Å; F65-I308 HydrophobicContact CE1-CG2 3.72Å; F65-F353 HydrophobicContact CD1-CD1 4.28Å; F65-F353 AromaticContact CD1-CE1 3.69Å; F65-F353 HydrophobicContact CD1-CE1 3.69Å; F65-F353 HydrophobicContact CD1-CZ 4.12Å; F65-F353 HydrophobicContact CE1-CE1 4.22Å; F65-E382 HydrophobicContact CE1-CB 3.98Å; F65-E382 HydrophobicContact CZ-CB 4.31Å; F65-H383 HydrophobicContact CZ-CB 4.46Å
66G94.2Very high95.8Very high53 Ų5362.5 Ų62.555%0.54634%0.34SS..  trans72.1-148.5-179.500000112.7
67R95.5Very high95.7Very high153 Ų15360.9 Ų60.958%0.57733%0.334SS*.  trans-80.6124.2-176-57.8-178.4-61-169.21.1110K69 D70R67-K69 HydrophobicContact CB-CG 4.3Å; R67-K69 PolarHBondContact O-N 2.93Å; R67-K69 VanDerWaalsContact O-N 3.16Å; R67-D70 IonicContact CZ-OD1 3.69Å; R67-D70 IonicContact CZ-OD2 3.21Å; R67-D70 IonicContact NE-OD1 3.51Å; R67-D70 IonicContact NE-OD2 2.78Å; R67-D70 PolarHBondContact NE-OD2 2.67Å; R67-D70 IonicContact NH2-OD1 3.17Å; R67-D70 PolarHBondContact NH2-OD1 3.01Å; R67-D70 VanDerWaalsContact NH2-OD1 3.17Å; R67-D70 IonicContact NH2-OD2 2.78Å; R67-D70 PolarHBondContact NH2-OD2 3.19Å; R67-D70 WeakPolarHBondContact O-CB 3.5Å; R67-D70 PolarHBondContact O-N 3.15Å
68G96.7Very high95.7Very high7 Ų752.6 Ų52.67%0.07230%0.295CS..G310 helixtrans-56.4-33.3-179.200000114.8P48 L49 E50 D70 W71P48-G68 WeakPolarHBondContact CA-O 3.44Å; P48-G68 VanDerWaalsContact CB-C 3.41Å; P48-G68 WeakPolarHBondContact CB-O 3.3Å; L49-G68 PolarHBondContact N-O 3.3Å; E50-G68 WeakPolarHBondContact OE2-CA 3.38Å; G68-D70 PolarHBondContact O-N 3.25Å; G68-W71 WeakPolarHBondContact O-CB 3.36Å; G68-W71 PolarHBondContact O-N 2.77Å
69K96.9Very high95.8Very high140 Ų14050.9 Ų50.961%0.60929%0.285SS*.G310 helixtrans-67.5-15.5178.570.4173.6-172.4171.20115.3R67 W71R67-K69 HydrophobicContact CB-CG 4.3Å; R67-K69 PolarHBondContact O-N 2.93Å; R67-K69 VanDerWaalsContact O-N 3.16Å; K69-W71 PolarHBondContact O-N 3.33Å
70D97.2Very high96Very high48 Ų4842.7 Ų42.726%0.25724%0.241SC..G310 helixtrans-86.25.6178.2-62.4-17.6000111.1R67 G68 C349 P350R67-D70 IonicContact CZ-OD1 3.69Å; R67-D70 IonicContact CZ-OD2 3.21Å; R67-D70 IonicContact NE-OD1 3.51Å; R67-D70 IonicContact NE-OD2 2.78Å; R67-D70 PolarHBondContact NE-OD2 2.67Å; R67-D70 IonicContact NH2-OD1 3.17Å; R67-D70 PolarHBondContact NH2-OD1 3.01Å; R67-D70 VanDerWaalsContact NH2-OD1 3.17Å; R67-D70 IonicContact NH2-OD2 2.78Å; R67-D70 PolarHBondContact NH2-OD2 3.19Å; R67-D70 WeakPolarHBondContact O-CB 3.5Å; R67-D70 PolarHBondContact O-N 3.15Å; G68-D70 PolarHBondContact O-N 3.25Å; D70-C349 CarbonylContact O-C 3.49Å; D70-C349 WeakPolarHBondContact O-CA 3.06Å; D70-P350 HydrophobicContact CB-CG 3.89Å
71W98.2Very high96.1Very high0 Ų040.7 Ų40.70%022%0.224CC..  trans-109.4133.5178.1-64.478.6000111T47 L49 F65 G68 K69 V73 I308 V348 C349 P350 F353 V355T47-W71 WeakPolarHBondContact CB-O 3.45Å; T47-W71 PolarHBondContact OG1-O 2.8Å; L49-W71 HydrophobicContact CB-CB 4.02Å; L49-W71 HydrophobicContact CB-CD2 4.44Å; L49-W71 HydrophobicContact CB-CG 3.84Å; L49-W71 HydrophobicContact CD1-CB 4.33Å; L49-W71 HydrophobicContact CD1-CD2 3.83Å; L49-W71 HydrophobicContact CD1-CE3 3.93Å; L49-W71 HydrophobicContact CD1-CG 4.02Å; L49-W71 HydrophobicContact CD2-CD2 4.09Å; L49-W71 HydrophobicContact CD2-CG 4.26Å; L49-W71 HydrophobicContact CD2-CZ2 4.27Å; L49-W71 HydrophobicContact CG-CD2 4.35Å; L49-W71 HydrophobicContact CG-CG 4.26Å; F65-W71 HydrophobicContact CB-CZ2 3.81Å; F65-W71 HydrophobicContact CD1-CH2 4.27Å; F65-W71 HydrophobicContact CD1-CZ2 4.12Å; F65-W71 HydrophobicContact CG-CZ2 4.38Å; F65-W71 PolarHBondContact O-NE1 3.03Å; G68-W71 WeakPolarHBondContact O-CB 3.36Å; G68-W71 PolarHBondContact O-N 2.77Å; K69-W71 PolarHBondContact O-N 3.33Å; W71-V73 HydrophobicContact CE3-CG2 4.1Å; W71-I308 HydrophobicContact CH2-CD1 4.3Å; W71-I308 HydrophobicContact CH2-CG2 3.64Å; W71-I308 HydrophobicContact CZ3-CD1 4.05Å; W71-I308 HydrophobicContact CZ3-CG1 4.18Å; W71-I308 HydrophobicContact CZ3-CG2 4.03Å; W71-V348 CarbonylContact C-O 3.54Å; W71-V348 WeakPolarHBondContact CA-O 3.31Å; W71-C349 HydrophobicContact CD2-CB 3.94Å; W71-C349 HydrophobicContact CE3-CB 3.51Å; W71-C349 HydrophobicContact CH2-CB 4.09Å; W71-C349 HydrophobicContact CZ2-CB 4.45Å; W71-C349 HydrophobicContact CZ3-CB 3.6Å; W71-P350 HydrophobicContact CZ2-CG 4.32Å; W71-P350 VanDerWaalsContact NE1-CD 3.31Å; W71-F353 HydrophobicContact CH2-CB 3.52Å; W71-F353 AromaticContact CH2-CD1 3.7Å; W71-F353 HydrophobicContact CH2-CD1 3.7Å; W71-F353 HydrophobicContact CH2-CD2 4.12Å; W71-F353 HydrophobicContact CH2-CE1 4.47Å; W71-F353 AromaticContact CH2-CG 3.5Å; W71-F353 HydrophobicContact CH2-CG 3.5Å; W71-F353 VanDerWaalsContact CH2-CG 3.5Å; W71-F353 HydrophobicContact CZ2-CB 4.01Å; W71-F353 HydrophobicContact CZ2-CD1 4.02Å; W71-F353 AromaticContact CZ2-CD2 3.77Å; W71-F353 HydrophobicContact CZ2-CD2 3.77Å; W71-F353 HydrophobicContact CZ2-CE1 4.48Å; W71-F353 HydrophobicContact CZ2-CE2 4.25Å; W71-F353 AromaticContact CZ2-CG 3.65Å; W71-F353 HydrophobicContact CZ2-CG 3.65Å; W71-F353 HydrophobicContact CZ3-CB 4.27Å; W71-V355 HydrophobicContact CE3-CG2 4.25Å; W71-V355 HydrophobicContact CZ3-CG2 4.01Å
72N97.9Very high96.1Very high27 Ų2736.8 Ų36.814%0.14420%0.197CC..  trans-133.897.3170.3-60.3-67.1000107.3T47 Y234 Y347 V348T47-N72 WeakPolarHBondContact CB-OD1 3.44Å; N72-Y234 WeakPolarHBondContact CB-O 3.42Å; N72-Y347 PolarHBondContact ND2-O 3.08Å; N72-V348 PolarHBondContact N-O 3.42Å; N72-V348 WeakPolarHBondContact O-CB 3.36Å
73V98.2Very high96Very high1 Ų136 Ų361%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-104.8106.8-171.8179.20000110.3V46 L52 W71 I306 V355V46-V73 PolarHBondContact N-O 2.82Å; V46-V73 PolarHBondContact O-N 2.81Å; L52-V73 HydrophobicContact CD1-CB 4.3Å; L52-V73 HydrophobicContact CD1-CG1 4Å; L52-V73 HydrophobicContact CD2-CB 4Å; L52-V73 HydrophobicContact CD2-CG1 3.82Å; L52-V73 HydrophobicContact CD2-CG2 3.96Å; W71-V73 HydrophobicContact CE3-CG2 4.1Å; V73-I306 HydrophobicContact CG1-CD1 4.43Å; V73-I306 HydrophobicContact CG1-CG2 3.79Å; V73-V355 HydrophobicContact CG1-CG1 3.99Å; V73-V355 HydrophobicContact CG2-CG2 4.19Å
74D97.9Very high96Very high4 Ų427.6 Ų27.62%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-65.2131.8173.4-65.4-62.5000111.5S45 I76 P77 Y231 G235 L236S45-D74 WeakPolarHBondContact CB-OD1 3.12Å; S45-D74 PolarHBondContact OG-OD1 3.22Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-P77 HydrophobicContact CB-CB 4.16Å; D74-P77 WeakPolarHBondContact O-CD 3.45Å; D74-Y231 VanDerWaalsContact CG-OH 3.27Å; D74-Y231 PolarHBondContact OD2-OH 3.49Å; D74-G235 VanDerWaalsContact OD2-CA 3.26Å; D74-G235 WeakPolarHBondContact OD2-CA 3.35Å; D74-L236 WeakPolarHBondContact OD1-CB 3.48Å; D74-L236 PolarHBondContact OD1-N 2.94Å; D74-L236 PolarHBondContact OD2-N 3.27Å
75L97.3Very high96Very high17 Ų1729.7 Ų29.79%0.08915%0.149CC..SBendtrans-72.5-30.9175.2-64.4-176.3000112.4D42 T44 V46 L52 F56 I306D42-L75 WeakPolarHBondContact O-CB 3.48Å; T44-L75 HydrophobicContact CG2-CD1 3.71Å; T44-L75 HydrophobicContact CG2-CG 4.17Å; T44-L75 PolarHBondContact O-N 3.16Å; T44-L75 VanDerWaalsContact O-N 3.11Å; V46-L75 HydrophobicContact CG2-CD1 4.31Å; V46-L75 HydrophobicContact CG2-CD2 3.76Å; V46-L75 HydrophobicContact CG2-CG 3.95Å; L52-L75 HydrophobicContact CD1-CD2 4.3Å; F56-L75 HydrophobicContact CE2-CD2 4.07Å; F56-L75 HydrophobicContact CZ-CD2 4.29Å; L75-I306 HydrophobicContact CD2-CD1 4Å
76I96.5Very high95.9Very high11 Ų1129.2 Ų29.26%0.05615%0.147CC..SBendtrans-13475.4178-53.7179.3000108.7D42 T43 D74 K78 Y409D42-I76 HydrophobicContact CB-CD1 3.97Å; D42-I76 WeakPolarHBondContact O-CD1 3.48Å; D42-I76 WeakPolarHBondContact O-CG1 3.35Å; T43-I76 HydrophobicContact CG2-CB 4.42Å; D74-I76 VanDerWaalsContact C-N 3.34Å; I76-K78 HydrophobicContact CG2-CD 4.33Å; I76-K78 HydrophobicContact CG2-CG 4.31Å; I76-K78 PolarHBondContact O-N 2.88Å; I76-Y409 HydrophobicContact CD1-CD2 4.34Å; I76-Y409 HydrophobicContact CD1-CG 4.35Å
77P95.8Very high95.9Very high8 Ų827 Ų275%0.05212%0.123CC..  trans-64.9123.1175.525-34.3000111.1D74 Y231 S340 L357D74-P77 HydrophobicContact CB-CB 4.16Å; D74-P77 WeakPolarHBondContact O-CD 3.45Å; P77-Y231 HydrophobicContact CB-CE2 4.42Å; P77-Y231 WeakPolarHBondContact CB-OH 3.48Å; P77-S340 WeakPolarHBondContact CG-OG 3.42Å; P77-L357 HydrophobicContact CG-CB 3.5Å; P77-L357 HydrophobicContact CG-CD1 4.27Å; P77-L357 HydrophobicContact CG-CD2 3.77Å; P77-L357 HydrophobicContact CG-CG 4.03Å
78K96.5Very high95.8Very high0 Ų022.7 Ų22.70%011%0.109CC..  trans-131.8145.8174.2-72.8177.5176.1-64.70110.1I76 L236 D410 S412 T413 H414 F415I76-K78 HydrophobicContact CG2-CD 4.33Å; I76-K78 HydrophobicContact CG2-CG 4.31Å; I76-K78 PolarHBondContact O-N 2.88Å; K78-L236 HydrophobicContact CB-CD1 4.46Å; K78-D410 IonicContact NZ-OD1 3.42Å; K78-D410 PolarHBondContact NZ-OD1 2.86Å; K78-S412 PolarHBondContact NZ-O 3.4Å; K78-S412 PolarHBondContact NZ-OG 3.3Å; K78-S412 VanDerWaalsContact NZ-OG 3.14Å; K78-T413 CarbonylContact C-O 3.54Å; K78-T413 WeakPolarHBondContact CA-O 3.39Å; K78-H414 PolarHBondContact NZ-O 3.13Å; K78-F415 HydrophobicContact CB-CD1 3.87Å; K78-F415 HydrophobicContact CB-CD2 3.69Å; K78-F415 HydrophobicContact CB-CE1 3.64Å; K78-F415 HydrophobicContact CB-CE2 3.47Å; K78-F415 VanDerWaalsContact CB-CE2 3.47Å; K78-F415 HydrophobicContact CB-CG 3.91Å; K78-F415 HydrophobicContact CB-CZ 3.47Å; K78-F415 VanDerWaalsContact CB-CZ 3.47Å; K78-F415 HydrophobicContact CD-CD1 3.62Å; K78-F415 HydrophobicContact CD-CE1 3.6Å; K78-F415 HydrophobicContact CD-CG 4.31Å; K78-F415 HydrophobicContact CD-CZ 4.31Å; K78-F415 HydrophobicContact CG-CD1 4.4Å; K78-F415 HydrophobicContact CG-CE1 4.23Å; K78-F415 HydrophobicContact CG-CZ 4.46Å; K78-F415 VanDerWaalsContact O-CE2 3.23Å; K78-F415 WeakPolarHBondContact O-CE2 3.42Å
79F96.6Very high95.7Very high0 Ų022.4 Ų22.40%011%0.105CC..BIsolated β-bridgetrans-100.1141.8-178.9-59.7-22.2000110.7I104 Y229 Y231 Q323 S340 V342 T413 H414 F415F79-I104 HydrophobicContact CD1-CD1 3.93Å; F79-I104 HydrophobicContact CD1-CG1 4.04Å; F79-I104 HydrophobicContact CD2-CG1 3.99Å; F79-I104 HydrophobicContact CE1-CD1 3.57Å; F79-I104 HydrophobicContact CE1-CG1 4.06Å; F79-I104 HydrophobicContact CE2-CD1 4.24Å; F79-I104 HydrophobicContact CE2-CG1 4.03Å; F79-I104 HydrophobicContact CE2-CG2 4.14Å; F79-I104 HydrophobicContact CG-CD1 4.39Å; F79-I104 HydrophobicContact CG-CG1 3.99Å; F79-I104 HydrophobicContact CZ-CD1 3.72Å; F79-I104 HydrophobicContact CZ-CG1 4.04Å; F79-I104 HydrophobicContact CZ-CG2 4.43Å; F79-Y229 HydrophobicContact CB-CD1 3.99Å; F79-Y229 HydrophobicContact CB-CG 4.11Å; F79-Y229 HydrophobicContact CD2-CG 4.3Å; F79-Y231 AromaticContact CD1-CD2 3.54Å; F79-Y231 HydrophobicContact CD1-CD2 3.54Å; F79-Y231 AromaticContact CD1-CE2 3.9Å; F79-Y231 HydrophobicContact CD1-CE2 3.9Å; F79-Y231 AromaticContact CE1-CD2 3.77Å; F79-Y231 HydrophobicContact CE1-CD2 3.77Å; F79-Y231 AromaticContact CE1-CE2 3.94Å; F79-Y231 HydrophobicContact CE1-CE2 3.94Å; F79-Q323 HydrophobicContact CD2-CB 4.13Å; F79-Q323 HydrophobicContact CD2-CG 4.33Å; F79-Q323 HydrophobicContact CE2-CB 3.81Å; F79-Q323 HydrophobicContact CE2-CG 4.24Å; F79-S340 VanDerWaalsContact CZ-CB 3.45Å; F79-V342 HydrophobicContact CE1-CG1 3.99Å; F79-V342 HydrophobicContact CZ-CG1 4.38Å; F79-T413 WeakPolarHBondContact CB-O 3.32Å; F79-T413 PolarHBondContact N-O 2.87Å; F79-H414 WeakPolarHBondContact O-CA 3.32Å; F79-F415 PolarHBondContact O-N 2.69Å
80L95.9Very high95.5Very high0 Ų015.8 Ų15.80%08%0.076CC..EExtended strand (participates in β ladder)trans-87.4127.4175.4-61.688.2000109A82 L86 V87 L90 F101 Y229 L230 L236 F415L80-A82 PolarHBondContact O-N 3.01Å; L80-L86 HydrophobicContact CD2-CD2 3.86Å; L80-L86 HydrophobicContact CD2-CG 4.08Å; L80-L86 HydrophobicContact CG-CD2 4.04Å; L80-V87 HydrophobicContact CB-CG2 3.94Å; L80-V87 HydrophobicContact CD2-CG2 3.99Å; L80-L90 HydrophobicContact CD2-CD1 3.51Å; L80-F101 HydrophobicContact CD1-CD1 4.47Å; L80-F101 HydrophobicContact CD1-CE1 4.05Å; L80-F101 HydrophobicContact CD2-CE1 3.98Å; L80-Y229 CarbonylContact O-C 3.58Å; L80-Y229 VanDerWaalsContact O-CA 3.3Å; L80-Y229 WeakPolarHBondContact O-CA 3.47Å; L80-L230 HydrophobicContact CB-CB 4.3Å; L80-L230 WeakPolarHBondContact CD1-O 3.17Å; L80-L230 PolarHBondContact N-O 3Å; L80-L230 PolarHBondContact O-N 3.48Å; L80-L236 HydrophobicContact CD1-CD2 4.46Å; L80-F415 HydrophobicContact CD1-CD2 4.2Å; L80-F415 HydrophobicContact CD1-CE2 4.01Å; L80-F415 HydrophobicContact CG-CD2 3.89Å; L80-F415 HydrophobicContact CG-CE2 4.17Å
81M94.5Very high95.3Very high7 Ų713.7 Ų13.73%0.0347%0.066CC..EExtended strand (participates in β ladder)trans-66.2122.7165.6-17768.866.500108.3D83 G84 V87 L195 L216 Y217 S220 P228 Y229 E416M81-D83 PolarHBondContact O-N 2.95Å; M81-G84 VanDerWaalsContact O-CA 3.31Å; M81-G84 WeakPolarHBondContact O-CA 3.36Å; M81-G84 PolarHBondContact O-N 3.44Å; M81-V87 VanDerWaalsContact O-CG2 3.3Å; M81-V87 WeakPolarHBondContact O-CG2 3.24Å; M81-L195 HydrophobicContact CE-CD1 3.64Å; M81-L216 HydrophobicContact CG-CD1 4.25Å; M81-L216 HydrophobicContact CG-CD2 4.1Å; M81-L216 HydrophobicContact CG-CG 3.96Å; M81-Y217 HydrophobicContact CE-CD2 4.38Å; M81-S220 WeakPolarHBondContact CG-OG 3.34Å; M81-S220 PolarHBondContact SD-OG 3.41Å; M81-P228 HydrophobicContact SD-CB 3.65Å; M81-P228 HydrophobicContact SD-CG 4.18Å; M81-Y229 HydrophobicContact CE-CE1 3.83Å; M81-Y229 HydrophobicContact SD-CE1 4.48Å; M81-E416 WeakPolarHBondContact CB-OE1 3.49Å
82A92.9Very high94.9Very high0 Ų016.6 Ų16.60%08%0.079CC..THydrogen-bonded Turntrans-65.5-36.2-163.200000114.4L80 G84 V87 F224 P228 L230L80-A82 PolarHBondContact O-N 3.01Å; A82-G84 VanDerWaalsContact C-N 3.35Å; A82-V87 WeakPolarHBondContact O-CG1 3.32Å; A82-F224 HydrophobicContact CB-CD2 3.32Å; A82-F224 HydrophobicContact CB-CE2 3.49Å; A82-F224 VanDerWaalsContact CB-CE2 3.49Å; A82-F224 HydrophobicContact CB-CG 4.42Å; A82-P228 VanDerWaalsContact CB-O 3.32Å; A82-P228 WeakPolarHBondContact CB-O 3.26Å; A82-P228 PolarHBondContact N-O 3.33Å; A82-L230 HydrophobicContact CB-CD1 3.87Å; A82-L230 HydrophobicContact CB-CD2 4.43Å; A82-L230 HydrophobicContact CB-CG 3.82Å
83D91.8Very high94.6Very high18 Ų1815.5 Ų15.510%0.0967%0.073CC..THydrogen-bonded Turntrans-98.213.5170.2-169.848.9000112.4M81 K88 L216 R219 S220 R223M81-D83 PolarHBondContact O-N 2.95Å; D83-K88 VanDerWaalsContact O-CE 3.27Å; D83-K88 WeakPolarHBondContact O-CE 3.46Å; D83-K88 PolarHBondContact O-NZ 3.17Å; D83-K88 WeakPolarHBondContact OD1-CE 3.44Å; D83-K88 IonicContact OD1-NZ 2.72Å; D83-K88 IonicContact OD2-NZ 3.69Å; D83-L216 VanDerWaalsContact C-CD1 3.48Å; D83-L216 HydrophobicContact CB-CD1 3.95Å; D83-L216 WeakPolarHBondContact O-CD1 3.17Å; D83-R219 HydrophobicContact CB-CB 4.36Å; D83-R219 IonicContact OD2-CZ 2.72Å; D83-R219 VanDerWaalsContact OD2-CZ 3.25Å; D83-R219 IonicContact OD2-NE 3.74Å; D83-R219 PolarHBondContact OD2-NE 2.92Å; D83-R219 IonicContact OD2-NH2 2.93Å; D83-R219 PolarHBondContact OD2-NH2 3.23Å; D83-S220 WeakPolarHBondContact CB-OG 3.41Å; D83-S220 PolarHBondContact N-OG 3Å; D83-R223 IonicContact OD1-NH1 2.77Å; D83-R223 PolarHBondContact OD1-NH1 3.2Å
84G94Very high94.1Very high1 Ų116 Ų161%0.018%0.078CC..SBendtrans-72.5165.8-176.600000113.7M81 A82 L86 V87 K88M81-G84 VanDerWaalsContact O-CA 3.31Å; M81-G84 WeakPolarHBondContact O-CA 3.36Å; M81-G84 PolarHBondContact O-N 3.44Å; A82-G84 VanDerWaalsContact C-N 3.35Å; G84-L86 VanDerWaalsContact C-N 3.28Å; G84-L86 PolarHBondContact O-N 2.74Å; G84-V87 PolarHBondContact O-N 3.21Å; G84-K88 PolarHBondContact O-N 2.89Å
85K94.9Very high93.8Very high115 Ų11515.8 Ų15.850%0.58%0.077SC..Hα-helixtrans-61.3-35.9-179.1-70.3-176.8-177177.70112.6K88 L89 C419 L423 F436K85-K88 WeakPolarHBondContact O-CB 3.15Å; K85-K88 PolarHBondContact O-N 3.47Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 3.4Å; K85-C419 VanDerWaalsContact CB-SG 3.59Å; K85-L423 HydrophobicContact CB-CD1 4.43Å; K85-L423 HydrophobicContact CD-CD1 3.67Å; K85-F436 HydrophobicContact CB-CE1 4.01Å; K85-F436 HydrophobicContact CB-CZ 3.72Å; K85-F436 HydrophobicContact CD-CE2 4.05Å; K85-F436 HydrophobicContact CD-CZ 4.01Å; K85-F436 HydrophobicContact CG-CE1 4.23Å; K85-F436 HydrophobicContact CG-CE2 4.29Å; K85-F436 HydrophobicContact CG-CZ 3.86Å
86L94.9Very high93.5Very high4 Ų415.1 Ų15.12%0.0217%0.074CC..Hα-helixtrans-63-48.5179-17959.7000111.2I18 L80 G84 K88 L89 L90 F415 C419I18-L86 HydrophobicContact CD1-CD1 3.66Å; L80-L86 HydrophobicContact CD2-CD2 3.86Å; L80-L86 HydrophobicContact CD2-CG 4.08Å; L80-L86 HydrophobicContact CG-CD2 4.04Å; G84-L86 VanDerWaalsContact C-N 3.28Å; G84-L86 PolarHBondContact O-N 2.74Å; L86-K88 VanDerWaalsContact C-N 3.25Å; L86-K88 PolarHBondContact O-N 3.03Å; L86-L89 WeakPolarHBondContact O-CA 3.24Å; L86-L89 WeakPolarHBondContact O-CB 3.14Å; L86-L89 PolarHBondContact O-N 2.96Å; L86-L90 HydrophobicContact CD1-CD2 4.45Å; L86-L90 HydrophobicContact CD1-CG 4.48Å; L86-L90 HydrophobicContact CG-CG 4.5Å; L86-L90 WeakPolarHBondContact O-CG 3.29Å; L86-L90 PolarHBondContact O-N 3.29Å; L86-F415 HydrophobicContact CD2-CB 3.48Å; L86-F415 VanDerWaalsContact CD2-CB 3.48Å; L86-F415 HydrophobicContact CD2-CD1 4.14Å; L86-F415 HydrophobicContact CD2-CD2 3.67Å; L86-F415 HydrophobicContact CD2-CE2 4.36Å; L86-F415 HydrophobicContact CD2-CG 3.51Å; L86-C419 HydrophobicContact CB-CB 4.21Å; L86-C419 PolarHBondContact N-SG 3.46Å
87V94.2Very high93.1Very high7 Ų721.9 Ų21.94%0.04210%0.099CC..Hα-helixtrans-57.6-42.1176.8176.60000110.6L80 M81 A82 G84 L89 L90 V91 L230 L443L80-V87 HydrophobicContact CB-CG2 3.94Å; L80-V87 HydrophobicContact CD2-CG2 3.99Å; M81-V87 VanDerWaalsContact O-CG2 3.3Å; M81-V87 WeakPolarHBondContact O-CG2 3.24Å; A82-V87 WeakPolarHBondContact O-CG1 3.32Å; G84-V87 PolarHBondContact O-N 3.21Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.4Å; V87-L90 PolarHBondContact O-N 3.45Å; V87-L90 VanDerWaalsContact O-N 3.15Å; V87-V91 HydrophobicContact CG1-CG2 4.37Å; V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 3Å; V87-L230 HydrophobicContact CG2-CD1 4.44Å; V87-L443 HydrophobicContact CG1-CB 4.42Å; V87-L443 HydrophobicContact CG1-CD2 4.46Å
88K93.6Very high92.7Very high62 Ų6226.9 Ų26.927%0.2712%0.117SC..Hα-helixtrans-61.2-39.3175.6-67.2177.1-175.5175.80112.7D83 G84 K85 L86 H92 F436 V439D83-K88 VanDerWaalsContact O-CE 3.27Å; D83-K88 WeakPolarHBondContact O-CE 3.46Å; D83-K88 PolarHBondContact O-NZ 3.17Å; D83-K88 WeakPolarHBondContact OD1-CE 3.44Å; D83-K88 IonicContact OD1-NZ 2.72Å; D83-K88 IonicContact OD2-NZ 3.69Å; G84-K88 PolarHBondContact O-N 2.89Å; K85-K88 WeakPolarHBondContact O-CB 3.15Å; K85-K88 PolarHBondContact O-N 3.47Å; L86-K88 VanDerWaalsContact C-N 3.25Å; L86-K88 PolarHBondContact O-N 3.03Å; K88-H92 VanDerWaalsContact O-CB 3.27Å; K88-H92 WeakPolarHBondContact O-CB 3.48Å; K88-H92 PolarHBondContact O-N 3.35Å; K88-F436 HydrophobicContact CB-CD1 3.99Å; K88-F436 HydrophobicContact CB-CE1 3.96Å; K88-F436 HydrophobicContact CD-CD1 4.41Å; K88-V439 HydrophobicContact CB-CG1 4.22Å; K88-V439 WeakPolarHBondContact O-CG1 3.3Å
89L93.7Very high92.5Very high0 Ų027.6 Ų27.60%012%0.121CC..Hα-helixtrans-64.3-43.2173-70.9173.3000111.7L22 K85 L86 V87 V91 H92 T93 V422 L423 F434 F436L22-L89 HydrophobicContact CD1-CD2 4.42Å; L22-L89 HydrophobicContact CD2-CD2 4.41Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 3.4Å; L86-L89 WeakPolarHBondContact O-CA 3.24Å; L86-L89 WeakPolarHBondContact O-CB 3.14Å; L86-L89 PolarHBondContact O-N 2.96Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.4Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 PolarHBondContact O-N 3.34Å; L89-H92 PolarHBondContact O-N 3.22Å; L89-T93 WeakPolarHBondContact O-CG2 3.28Å; L89-T93 PolarHBondContact O-N 3.5Å; L89-T93 PolarHBondContact O-OG1 3.04Å; L89-T93 VanDerWaalsContact O-OG1 3.06Å; L89-V422 HydrophobicContact CD1-CG1 4.41Å; L89-L423 HydrophobicContact CD1-CD2 4.17Å; L89-L423 HydrophobicContact CD2-CD2 4.39Å; L89-F434 HydrophobicContact CD2-CD1 3.76Å; L89-F434 HydrophobicContact CD2-CD2 4.15Å; L89-F434 HydrophobicContact CD2-CE1 3.58Å; L89-F434 HydrophobicContact CD2-CE2 3.99Å; L89-F434 HydrophobicContact CD2-CG 4.05Å; L89-F434 HydrophobicContact CD2-CZ 3.71Å; L89-F436 HydrophobicContact CD2-CE1 4.17Å; L89-F436 HydrophobicContact CD2-CZ 4.21Å; L89-F436 HydrophobicContact CG-CE1 4.1Å; L89-F436 HydrophobicContact CG-CZ 4.2Å
90L93.3Very high92.4Very high1 Ų134.3 Ų34.31%0.00515%0.152CC..Hα-helixtrans-62.3-42.7178.3-59.8-179.5000111.7L80 L86 V87 T93 G94 V95 T96 F101 L239 F243L80-L90 HydrophobicContact CD2-CD1 3.51Å; L86-L90 HydrophobicContact CD1-CD2 4.45Å; L86-L90 HydrophobicContact CD1-CG 4.48Å; L86-L90 HydrophobicContact CG-CG 4.5Å; L86-L90 WeakPolarHBondContact O-CG 3.29Å; L86-L90 PolarHBondContact O-N 3.29Å; V87-L90 PolarHBondContact O-N 3.45Å; V87-L90 VanDerWaalsContact O-N 3.15Å; L90-T93 PolarHBondContact O-OG1 2.93Å; L90-T93 VanDerWaalsContact O-OG1 3.13Å; L90-G94 PolarHBondContact O-N 2.99Å; L90-G94 VanDerWaalsContact O-N 3.13Å; L90-V95 HydrophobicContact CB-CG2 3.72Å; L90-V95 HydrophobicContact CD2-CG2 3.6Å; L90-V95 HydrophobicContact CG-CG2 4.23Å; L90-V95 WeakPolarHBondContact O-CG2 3.33Å; L90-V95 PolarHBondContact O-N 3.1Å; L90-T96 HydrophobicContact CB-CG2 3.69Å; L90-F101 HydrophobicContact CD1-CE1 4.42Å; L90-F101 HydrophobicContact CD1-CZ 3.8Å; L90-L239 HydrophobicContact CD1-CD2 3.85Å; L90-L239 HydrophobicContact CD2-CD2 4.14Å; L90-F243 HydrophobicContact CD2-CE2 3.43Å; L90-F243 VanDerWaalsContact CD2-CE2 3.43Å; L90-F243 HydrophobicContact CD2-CZ 3.6Å
91V92.2Very high92.3Very high5 Ų536.2 Ų36.23%0.0316%0.161CC..Hα-helixtrans-66.2-43.8176.4173.40000111V87 L89 T93 G94 T96 R441 L443V87-V91 HydrophobicContact CG1-CG2 4.37Å; V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 3Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 PolarHBondContact O-N 3.34Å; V91-T93 VanDerWaalsContact C-N 3.32Å; V91-T93 PolarHBondContact O-N 2.99Å; V91-G94 PolarHBondContact O-N 2.98Å; V91-G94 VanDerWaalsContact O-N 3.09Å; V91-T96 HydrophobicContact CG2-CG2 3.88Å; V91-R441 HydrophobicContact CG1-CB 3.44Å; V91-R441 VanDerWaalsContact CG1-CB 3.44Å; V91-R441 WeakPolarHBondContact CG1-O 3.3Å; V91-L443 HydrophobicContact CG2-CB 4.33Å; V91-L443 HydrophobicContact CG2-CD1 4.19Å
92H90.7Very high92.3Very high60 Ų6039.8 Ų39.828%0.27818%0.176SC..Hα-helixtrans-59.4-42.3178.6-179.474.2000112.8K88 L89 G94 F434 V439K88-H92 VanDerWaalsContact O-CB 3.27Å; K88-H92 WeakPolarHBondContact O-CB 3.48Å; K88-H92 PolarHBondContact O-N 3.35Å; L89-H92 PolarHBondContact O-N 3.22Å; H92-G94 VanDerWaalsContact C-N 3.25Å; H92-G94 PolarHBondContact O-N 3.15Å; H92-F434 HydrophobicContact CB-CZ 4.34Å; H92-F434 AromaticContact CD2-CE2 3.77Å; H92-F434 AromaticContact CD2-CZ 3.44Å; H92-F434 VanDerWaalsContact CD2-CZ 3.44Å; H92-F434 WeakPolarHBondContact CD2-CZ 3.36Å; H92-F434 AromaticContact CG-CZ 3.73Å; H92-F434 AromaticContact NE2-CE2 3.84Å; H92-F434 AromaticContact NE2-CZ 3.71Å; H92-V439 HydrophobicContact CB-CG1 4.32Å; H92-V439 HydrophobicContact CB-CG2 3.79Å
93T90.3Very high92.4Very high5 Ų541.2 Ų41.23%0.03119%0.186CC..Hα-helixtrans-79.4-10.3179.159.70000112.7L22 L89 L90 V91 V95 F243 L246L22-T93 HydrophobicContact CD2-CG2 3.57Å; L22-T93 HydrophobicContact CG-CG2 4.25Å; L89-T93 WeakPolarHBondContact O-CG2 3.28Å; L89-T93 PolarHBondContact O-N 3.5Å; L89-T93 PolarHBondContact O-OG1 3.04Å; L89-T93 VanDerWaalsContact O-OG1 3.06Å; L90-T93 PolarHBondContact O-OG1 2.93Å; L90-T93 VanDerWaalsContact O-OG1 3.13Å; V91-T93 VanDerWaalsContact C-N 3.32Å; V91-T93 PolarHBondContact O-N 2.99Å; T93-V95 VanDerWaalsContact C-N 3.25Å; T93-V95 PolarHBondContact O-N 3.27Å; T93-F243 HydrophobicContact CG2-CE1 4.1Å; T93-L246 HydrophobicContact CG2-CD2 4.35Å; T93-L246 WeakPolarHBondContact O-CD1 3.5Å
94G89Confident92.6Very high10 Ų1040.3 Ų40.310%0.10318%0.181CC..THydrogen-bonded Turntrans73.412.3179.800000114.3L90 V91 H92 T96 R97L90-G94 PolarHBondContact O-N 2.99Å; L90-G94 VanDerWaalsContact O-N 3.13Å; V91-G94 PolarHBondContact O-N 2.98Å; V91-G94 VanDerWaalsContact O-N 3.09Å; H92-G94 VanDerWaalsContact C-N 3.25Å; H92-G94 PolarHBondContact O-N 3.15Å; G94-T96 PolarHBondContact O-N 3.15Å; G94-R97 WeakPolarHBondContact O-CB 3.38Å; G94-R97 WeakPolarHBondContact O-CG 3.26Å; G94-R97 PolarHBondContact O-N 3.17Å
95V90.9Very high92.6Very high0 Ų042.3 Ų42.30%019%0.19CC..G310 helixtrans-68.3-23.4176.9-63.30000112.1L90 T93 R97 Y98 L99 F243 L246L90-V95 HydrophobicContact CB-CG2 3.72Å; L90-V95 HydrophobicContact CD2-CG2 3.6Å; L90-V95 HydrophobicContact CG-CG2 4.23Å; L90-V95 WeakPolarHBondContact O-CG2 3.33Å; L90-V95 PolarHBondContact O-N 3.1Å; T93-V95 VanDerWaalsContact C-N 3.25Å; T93-V95 PolarHBondContact O-N 3.27Å; V95-R97 PolarHBondContact O-N 2.82Å; V95-R97 VanDerWaalsContact O-N 3.15Å; V95-Y98 PolarHBondContact O-N 2.82Å; V95-L99 HydrophobicContact CB-CD1 4.38Å; V95-L99 HydrophobicContact CG2-CD1 4.21Å; V95-F243 HydrophobicContact CG1-CD1 3.82Å; V95-F243 HydrophobicContact CG1-CD2 4.45Å; V95-F243 HydrophobicContact CG1-CE1 3.85Å; V95-F243 HydrophobicContact CG1-CE2 4.47Å; V95-F243 HydrophobicContact CG1-CG 4.13Å; V95-F243 HydrophobicContact CG1-CZ 4.18Å; V95-F243 HydrophobicContact CG2-CE1 4.45Å; V95-F243 HydrophobicContact CG2-CE2 4.17Å; V95-F243 HydrophobicContact CG2-CZ 4Å; V95-L246 HydrophobicContact CG1-CB 4.02Å; V95-L246 HydrophobicContact CG1-CD2 3.85Å; V95-L246 HydrophobicContact CG1-CG 4.42Å
96T90.9Very high92.5Very high4 Ų438.3 Ų38.33%0.02517%0.173CC..G310 helixtrans-58.6-21.8175.240.40000113.5L90 V91 G94 Y98 L99 F101 L443 D446L90-T96 HydrophobicContact CB-CG2 3.69Å; V91-T96 HydrophobicContact CG2-CG2 3.88Å; G94-T96 PolarHBondContact O-N 3.15Å; T96-Y98 PolarHBondContact O-N 2.53Å; T96-L99 PolarHBondContact O-N 2.88Å; T96-F101 HydrophobicContact CG2-CE2 4.18Å; T96-L443 HydrophobicContact CG2-CD1 3.41Å; T96-L443 VanDerWaalsContact CG2-CD1 3.41Å; T96-D446 VanDerWaalsContact CB-OD2 3.31Å; T96-D446 WeakPolarHBondContact CB-OD2 3.37Å; T96-D446 PolarHBondContact OG1-OD2 2.94Å
97R88.8Confident92.3Very high152 Ų15238.2 Ų38.257%0.57417%0.173SC*.G310 helixtrans-66.7-14.8173.5-59-179.8-173.4172.54.7114.2G94 V95 D446G94-R97 WeakPolarHBondContact O-CB 3.38Å; G94-R97 WeakPolarHBondContact O-CG 3.26Å; G94-R97 PolarHBondContact O-N 3.17Å; V95-R97 PolarHBondContact O-N 2.82Å; V95-R97 VanDerWaalsContact O-N 3.15Å; R97-D446 WeakPolarHBondContact CG-OD2 3.45Å; R97-D446 PolarHBondContact N-OD2 3.2Å
98Y87.5Confident92.3Very high114 Ų11438.2 Ų38.245%0.44717%0.172SC..G310 helixtrans-111.80.7179.7-46.7-63.3000112.2V95 T96V95-Y98 PolarHBondContact O-N 2.82Å; T96-Y98 PolarHBondContact O-N 2.53Å
99L92.4Very high92.2Very high14 Ų1435.4 Ų35.47%0.07316%0.161CC..  trans-127.1128-170-68.3167.5000110.2V95 T96 F101 E238 L239 S242V95-L99 HydrophobicContact CB-CD1 4.38Å; V95-L99 HydrophobicContact CG2-CD1 4.21Å; T96-L99 PolarHBondContact O-N 2.88Å; L99-F101 HydrophobicContact CB-CD2 4.4Å; L99-F101 HydrophobicContact CB-CE2 3.65Å; L99-F101 HydrophobicContact CB-CZ 4.03Å; L99-F101 HydrophobicContact CD1-CE2 4.31Å; L99-F101 HydrophobicContact CD1-CZ 4.03Å; L99-E238 HydrophobicContact CD2-CB 3.59Å; L99-L239 HydrophobicContact CD1-CD2 3.61Å; L99-S242 VanDerWaalsContact CD2-OG 3.32Å; L99-S242 WeakPolarHBondContact CD2-OG 3.19Å; L99-S242 WeakPolarHBondContact CG-OG 3.39Å
100E93.4Very high92.2Very high141 Ų14136.4 Ų36.466%0.65917%0.165SC*.  trans-100.4133.4168-71.3-179-132.100109.5P232 L233E100-P232 WeakPolarHBondContact O-CA 3.45Å; E100-L233 HydrophobicContact CB-CB 4.44Å; E100-L233 HydrophobicContact CB-CD1 3.66Å; E100-L233 HydrophobicContact CB-CG 4.01Å; E100-L233 PolarHBondContact O-N 3Å
101F94.1Very high91.9Very high40 Ų4037 Ų3718%0.17517%0.168CC..EExtended strand (participates in β ladder)trans-111.7146.7178.4-67.2-88.5000110.9L80 L90 T96 L99 L230 Y231 P232 L239 L443L80-F101 HydrophobicContact CD1-CD1 4.47Å; L80-F101 HydrophobicContact CD1-CE1 4.05Å; L80-F101 HydrophobicContact CD2-CE1 3.98Å; L90-F101 HydrophobicContact CD1-CE1 4.42Å; L90-F101 HydrophobicContact CD1-CZ 3.8Å; T96-F101 HydrophobicContact CG2-CE2 4.18Å; L99-F101 HydrophobicContact CB-CD2 4.4Å; L99-F101 HydrophobicContact CB-CE2 3.65Å; L99-F101 HydrophobicContact CB-CZ 4.03Å; L99-F101 HydrophobicContact CD1-CE2 4.31Å; L99-F101 HydrophobicContact CD1-CZ 4.03Å; F101-L230 HydrophobicContact CB-CB 4.35Å; F101-L230 HydrophobicContact CB-CD1 4.45Å; F101-L230 HydrophobicContact CD1-CB 4.23Å; F101-Y231 WeakPolarHBondContact CA-O 3.31Å; F101-P232 HydrophobicContact CD1-CB 4.28Å; F101-P232 HydrophobicContact CE1-CB 4.1Å; F101-L239 HydrophobicContact CZ-CD2 4.25Å; F101-L443 HydrophobicContact CB-CD2 4.48Å; F101-L443 HydrophobicContact CD2-CD1 4.01Å; F101-L443 HydrophobicContact CD2-CD2 4.17Å; F101-L443 HydrophobicContact CE2-CD1 4.13Å; F101-L443 HydrophobicContact CG-CD2 4.48Å
102K94.8Very high91.6Very high83 Ų8343.6 Ų43.636%0.36120%0.196SC..EExtended strand (participates in β ladder)trans-124140.3171.1-167.3168.3-164142.30110.6L230 Y231 L233 P345K102-L230 WeakPolarHBondContact O-CA 3.02Å; K102-Y231 PolarHBondContact N-O 2.81Å; K102-Y231 PolarHBondContact O-N 3.08Å; K102-L233 HydrophobicContact CB-CD2 3.84Å; K102-L233 HydrophobicContact CD-CD2 4.17Å; K102-P345 HydrophobicContact CD-CB 4.01Å; K102-P345 WeakPolarHBondContact CD-O 3.48Å; K102-P345 VanDerWaalsContact CE-CB 3.46Å; K102-P345 WeakPolarHBondContact CE-O 3.32Å; K102-P345 VanDerWaalsContact NZ-CB 3.31Å; K102-P345 PolarHBondContact NZ-O 3.45Å
103S94.7Very high91.3Very high29 Ų2947.8 Ų47.820%0.20322%0.221CC..EExtended strand (participates in β ladder)trans-70139.4176.5-470000111.3Y229S103-Y229 CarbonylContact C-O 3.59Å; S103-Y229 WeakPolarHBondContact CA-O 3.43Å
104I95.6Very high91.2Very high0 Ų049.6 Ų49.60%024%0.236CC..  trans-68.5135.6165.9-57-58.8000108.1F79 S227 Y229 Y231 S321 V342F79-I104 HydrophobicContact CD1-CD1 3.93Å; F79-I104 HydrophobicContact CD1-CG1 4.04Å; F79-I104 HydrophobicContact CD2-CG1 3.99Å; F79-I104 HydrophobicContact CE1-CD1 3.57Å; F79-I104 HydrophobicContact CE1-CG1 4.06Å; F79-I104 HydrophobicContact CE2-CD1 4.24Å; F79-I104 HydrophobicContact CE2-CG1 4.03Å; F79-I104 HydrophobicContact CE2-CG2 4.14Å; F79-I104 HydrophobicContact CG-CD1 4.39Å; F79-I104 HydrophobicContact CG-CG1 3.99Å; F79-I104 HydrophobicContact CZ-CD1 3.72Å; F79-I104 HydrophobicContact CZ-CG1 4.04Å; F79-I104 HydrophobicContact CZ-CG2 4.43Å; I104-S227 VanDerWaalsContact O-CB 3.29Å; I104-S227 WeakPolarHBondContact O-CB 3.48Å; I104-S227 PolarHBondContact O-OG 2.91Å; I104-Y229 PolarHBondContact N-O 3.43Å; I104-Y231 HydrophobicContact CD1-CG 4.46Å; I104-S321 WeakPolarHBondContact CA-OG 3.08Å; I104-V342 HydrophobicContact CD1-CG1 4.13Å
105E94.2Very high91.4Very high43 Ų4350.2 Ų50.220%0.20124%0.237CC..  trans-71.7-42-172.4-58.8-156.3125.700112.6K226 A319 L320 S321E105-K226 HydrophobicContact CB-CD 4.33Å; E105-K226 VanDerWaalsContact O-CB 3.25Å; E105-K226 WeakPolarHBondContact O-CB 3.39Å; E105-K226 IonicContact OE1-NZ 3.31Å; E105-K226 PolarHBondContact OE1-NZ 3.24Å; E105-A319 HydrophobicContact CB-CB 4.35Å; E105-A319 WeakPolarHBondContact OE2-CA 3.39Å; E105-L320 PolarHBondContact OE2-N 2.89Å; E105-S321 WeakPolarHBondContact CB-O 3.27Å; E105-S321 PolarHBondContact N-O 2.89Å; E105-S321 PolarHBondContact N-OG 2.91Å
106E92.3Very high91.2Very high30 Ų3052 Ų5214%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-143.2150.7-167.7-65.3-64173.800113.1Y108 K117 A319 S321 S322 Q323E106-Y108 HydrophobicContact CB-CD2 4.21Å; E106-Y108 HydrophobicContact CB-CE2 3.33Å; E106-Y108 HydrophobicContact CG-CE2 4.25Å; E106-K117 IonicContact OE1-NZ 3.38Å; E106-K117 PolarHBondContact OE1-NZ 2.85Å; E106-K117 WeakPolarHBondContact OE2-CD 3.29Å; E106-K117 WeakPolarHBondContact OE2-CE 3.5Å; E106-K117 IonicContact OE2-NZ 2.64Å; E106-K117 PolarHBondContact OE2-NZ 3.18Å; E106-A319 HydrophobicContact CB-CB 4.01Å; E106-A319 HydrophobicContact CG-CB 3.56Å; E106-S321 PolarHBondContact N-O 3.13Å; E106-S322 CarbonylContact O-C 3.56Å; E106-S322 WeakPolarHBondContact O-CA 3.34Å; E106-Q323 PolarHBondContact O-N 2.88Å
107S92.5Very high91.1Very high3 Ų353.6 Ų53.62%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-127.1136.3173.7-176.80000109.4V118 Q323S107-V118 PolarHBondContact O-N 2.92Å; S107-Q323 CarbonylContact C-O 3.59Å; S107-Q323 WeakPolarHBondContact CA-O 3.41Å; S107-Q323 PolarHBondContact OG-OE1 3.11Å
108Y92.9Very high91Very high6 Ų646.4 Ų46.42%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-132.8152.8-175-62.7-91.8000111.6E106 H116 K117 I316 Q323 I324 I325E106-Y108 HydrophobicContact CB-CD2 4.21Å; E106-Y108 HydrophobicContact CB-CE2 3.33Å; E106-Y108 HydrophobicContact CG-CE2 4.25Å; Y108-H116 CarbonylContact C-O 3.55Å; Y108-H116 WeakPolarHBondContact CA-O 3.25Å; Y108-H116 VanDerWaalsContact CD1-C 3.5Å; Y108-K117 HydrophobicContact CD1-CB 4.08Å; Y108-K117 HydrophobicContact CE1-CB 3.79Å; Y108-K117 HydrophobicContact CE1-CG 4.45Å; Y108-I316 HydrophobicContact CD1-CG2 4.18Å; Y108-I316 HydrophobicContact CD2-CB 4.36Å; Y108-I316 HydrophobicContact CD2-CG2 3.79Å; Y108-I316 HydrophobicContact CE1-CB 4.21Å; Y108-I316 HydrophobicContact CE1-CG2 3.98Å; Y108-I316 HydrophobicContact CE2-CB 3.57Å; Y108-I316 HydrophobicContact CE2-CG2 3.51Å; Y108-I316 HydrophobicContact CG-CG2 4.14Å; Y108-I316 WeakPolarHBondContact OH-CA 3.29Å; Y108-I316 PolarHBondContact OH-O 3.39Å; Y108-Q323 PolarHBondContact N-O 3.4Å; Y108-I324 HydrophobicContact CD2-CG1 4.39Å; Y108-I324 WeakPolarHBondContact O-CA 3.48Å; Y108-I325 PolarHBondContact O-N 3.42Å
109V92.4Very high90.6Very high4 Ų441.1 Ų41.12%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-124.5138.9168.466.40000109.4H116 V118 L188 A192 I325 P327V109-H116 PolarHBondContact N-O 3Å; V109-H116 PolarHBondContact O-N 3.22Å; V109-V118 HydrophobicContact CB-CG2 4.33Å; V109-V118 HydrophobicContact CG1-CG2 4.43Å; V109-L188 HydrophobicContact CB-CD1 4.48Å; V109-L188 HydrophobicContact CG1-CD1 3.66Å; V109-A192 HydrophobicContact CB-CB 4.07Å; V109-A192 HydrophobicContact CG2-CB 4.35Å; V109-I325 CarbonylContact C-O 3.59Å; V109-I325 WeakPolarHBondContact CA-O 3.42Å; V109-P327 HydrophobicContact CG2-CG 3.78Å
110F92.5Very high89.6Confident20 Ų2040.7 Ų40.79%0.08820%0.202CC..EExtended strand (participates in β ladder)trans-84126172.1-174.9-92.1000109.9N113 A114 I115 I325 I326 P327 Q330 V331 L377F110-N113 VanDerWaalsContact CZ-CA 3.44Å; F110-A114 WeakPolarHBondContact CA-O 3.49Å; F110-I115 HydrophobicContact CD2-CG2 3.98Å; F110-I325 PolarHBondContact N-O 3.15Å; F110-I326 HydrophobicContact CB-CB 4.19Å; F110-I326 HydrophobicContact CB-CG1 3.88Å; F110-I326 HydrophobicContact CB-CG2 4.12Å; F110-I326 HydrophobicContact CD1-CG2 3.93Å; F110-I326 HydrophobicContact CG-CG1 4.41Å; F110-I326 HydrophobicContact CG-CG2 4.19Å; F110-P327 VanDerWaalsContact O-CD 3.3Å; F110-P327 WeakPolarHBondContact O-CD 3.23Å; F110-Q330 HydrophobicContact CD1-CB 4.03Å; F110-Q330 HydrophobicContact CE1-CB 4.33Å; F110-V331 HydrophobicContact CE1-CG1 4.46Å; F110-L377 HydrophobicContact CD2-CD1 4.45Å; F110-L377 HydrophobicContact CD2-CD2 4.12Å; F110-L377 HydrophobicContact CE2-CD2 4Å
111D88.2Confident88.4Confident13 Ų1335.7 Ų35.77%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-143.3129174.1-177.657.3000109N113 A114 H116 Q330D111-N113 PolarHBondContact O-N 2.8Å; D111-A114 PolarHBondContact N-O 2.86Å; D111-A114 PolarHBondContact O-N 3.06Å; D111-A114 VanDerWaalsContact O-O 3.11Å; D111-H116 PolarHBondContact O-NE2 2.93Å; D111-H116 VanDerWaalsContact O-NE2 3.15Å; D111-Q330 PolarHBondContact OD1-NE2 3.19Å; D111-Q330 PolarHBondContact OD1-OE1 3.35Å
112K84.6Confident86.8Confident145 Ų14537.7 Ų37.763%0.6320%0.202SC*.THydrogen-bonded Turntrans49.854.3174.5-60.7168.5-170.4158.30113.5A114 T184K112-A114 VanDerWaalsContact C-N 3.25Å; K112-A114 PolarHBondContact O-N 2.54Å; K112-T184 PolarHBondContact NZ-OG1 2.87Å
113N84.8Confident85.3Confident148 Ų14837.9 Ų37.979%0.79121%0.214SC*.THydrogen-bonded Turntrans6911.9176.8-52.1-49.3000116.1F110 D111F110-N113 VanDerWaalsContact CZ-CA 3.44Å; D111-N113 PolarHBondContact O-N 2.8Å
114A89.7Confident84.1Confident42 Ų4238.7 Ų38.735%0.34721%0.214SC..EExtended strand (participates in β ladder)trans-133150.7175.600000111.2F110 D111 K112 H116F110-A114 WeakPolarHBondContact CA-O 3.49Å; D111-A114 PolarHBondContact N-O 2.86Å; D111-A114 PolarHBondContact O-N 3.06Å; D111-A114 VanDerWaalsContact O-O 3.11Å; K112-A114 VanDerWaalsContact C-N 3.25Å; K112-A114 PolarHBondContact O-N 2.54Å; A114-H116 PolarHBondContact O-CD2 3.05Å; A114-H116 VanDerWaalsContact O-CD2 3.26Å
115I91.1Very high82.6Confident24 Ų2439 Ų3912%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-89.4136.7169.258.5-175.6000109.5F110 P314 N315 I316 I324 L377F110-I115 HydrophobicContact CD2-CG2 3.98Å; I115-P314 WeakPolarHBondContact CD1-O 3.47Å; I115-N315 HydrophobicContact CD1-CB 3.8Å; I115-N315 HydrophobicContact CG1-CB 4.06Å; I115-I316 HydrophobicContact CD1-CG2 3.35Å; I115-I316 HydrophobicContact CG1-CG2 4.46Å; I115-I324 HydrophobicContact CG2-CG2 4.04Å; I115-L377 HydrophobicContact CG2-CD1 3.86Å; I115-L377 HydrophobicContact CG2-CD2 3.98Å
116H88.4Confident80.7Confident36 Ų3641.1 Ų41.117%0.16723%0.226CC..EExtended strand (participates in β ladder)trans-131.5137-177.1-58.7-91.6000111Y108 V109 D111 A114 V118 L130Y108-H116 CarbonylContact C-O 3.55Å; Y108-H116 WeakPolarHBondContact CA-O 3.25Å; Y108-H116 VanDerWaalsContact CD1-C 3.5Å; V109-H116 PolarHBondContact N-O 3Å; V109-H116 PolarHBondContact O-N 3.22Å; D111-H116 PolarHBondContact O-NE2 2.93Å; D111-H116 VanDerWaalsContact O-NE2 3.15Å; A114-H116 PolarHBondContact O-CD2 3.05Å; A114-H116 VanDerWaalsContact O-CD2 3.26Å; H116-V118 PolarHBondContact O-N 3.3Å; H116-L130 HydrophobicContact CB-CD1 3.55Å; H116-L130 HydrophobicContact CB-CD2 3.31Å; H116-L130 HydrophobicContact CB-CG 3.34Å
117K88.3Confident79.1Confident38 Ų3844 Ų4417%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-66.3128.6179.2-178.7173173.1164.80110.1E106 Y108 E124 L130E106-K117 IonicContact OE1-NZ 3.38Å; E106-K117 PolarHBondContact OE1-NZ 2.85Å; E106-K117 WeakPolarHBondContact OE2-CD 3.29Å; E106-K117 WeakPolarHBondContact OE2-CE 3.5Å; E106-K117 IonicContact OE2-NZ 2.64Å; E106-K117 PolarHBondContact OE2-NZ 3.18Å; Y108-K117 HydrophobicContact CD1-CB 4.08Å; Y108-K117 HydrophobicContact CE1-CB 3.79Å; Y108-K117 HydrophobicContact CE1-CG 4.45Å; K117-E124 VanDerWaalsContact CE-OE1 3.3Å; K117-E124 WeakPolarHBondContact CE-OE1 3.41Å; K117-E124 WeakPolarHBondContact CE-OE2 3.32Å; K117-E124 IonicContact NZ-OE1 3.14Å; K117-E124 PolarHBondContact NZ-OE1 3.4Å; K117-E124 IonicContact NZ-OE2 3.61Å; K117-E124 PolarHBondContact NZ-OE2 3.21Å; K117-L130 VanDerWaalsContact O-CD1 3.27Å; K117-L130 WeakPolarHBondContact O-CD1 3.37Å
118V86.7Confident77.8Confident1 Ų144.7 Ų44.71%0.00625%0.253CS..PPolyproline II helixtrans-70.5123.1170.5-177.50000107.5S107 V109 H116 S120 L188 A192 I193 Y217S107-V118 PolarHBondContact O-N 2.92Å; V109-V118 HydrophobicContact CB-CG2 4.33Å; V109-V118 HydrophobicContact CG1-CG2 4.43Å; H116-V118 PolarHBondContact O-N 3.3Å; V118-S120 PolarHBondContact O-N 3.31Å; V118-L188 HydrophobicContact CB-CD1 4.41Å; V118-L188 HydrophobicContact CG1-CD1 4.11Å; V118-L188 HydrophobicContact CG2-CD1 4.09Å; V118-A192 HydrophobicContact CG1-CB 4.3Å; V118-A192 HydrophobicContact CG2-CB 3.65Å; V118-I193 HydrophobicContact CG1-CG1 4.07Å; V118-Y217 VanDerWaalsContact CG1-OH 3.24Å; V118-Y217 WeakPolarHBondContact CG1-OH 3.31Å
119P78.3Confident76.2Confident4 Ų449.7 Ų49.73%0.02629%0.289CS..PPolyproline II helixtrans-60.9125179.5-22.633.5000111.2E124 A125 T128P119-E124 HydrophobicContact CB-CB 4.36Å; P119-A125 HydrophobicContact CB-CB 3.92Å; P119-A125 HydrophobicContact CG-CB 4.4Å; P119-T128 HydrophobicContact CG-CG2 4.18Å
120S72.7Confident74.8Confident4 Ų450.5 Ų50.53%0.02829%0.293CS..  trans-95.6-25.2179.582.10000111.7V118 E124 V221 K226V118-S120 PolarHBondContact O-N 3.31Å; S120-E124 WeakPolarHBondContact CB-OE2 3.41Å; S120-E124 PolarHBondContact N-OE2 3.48Å; S120-E124 PolarHBondContact OG-OE2 3.09Å; S120-V221 WeakPolarHBondContact O-CG1 3.4Å; S120-K226 VanDerWaalsContact CB-O 3.31Å; S120-K226 WeakPolarHBondContact CB-O 3.17Å; S120-K226 PolarHBondContact OG-O 3.01Å
121S67.1Low73.5Confident36 Ų3650.1 Ų50.125%0.25229%0.293SS..SBendtrans-128.5164.8177.565.80000112.6S123 E124 A125S121-S123 VanDerWaalsContact C-N 3.27Å; S121-S123 PolarHBondContact O-N 2.8Å; S121-E124 PolarHBondContact O-N 3.15Å; S121-E124 VanDerWaalsContact O-N 3.16Å; S121-E124 WeakPolarHBondContact OG-CG 3.29Å; S121-E124 PolarHBondContact OG-N 3.35Å; S121-A125 PolarHBondContact O-N 3.13Å
122S61.6Low72.5Confident83 Ų8352.8 Ų52.858%0.5831%0.312SS*.Hα-helixtrans-54.8-44.7169.657.30000111.1E124 A125 F126S122-E124 PolarHBondContact O-N 3.37Å; S122-A125 WeakPolarHBondContact O-CB 3.43Å; S122-A125 PolarHBondContact O-N 3.13Å; S122-F126 WeakPolarHBondContact O-CD2 3.45Å; S122-F126 VanDerWaalsContact O-CE2 3.28Å; S122-F126 WeakPolarHBondContact O-CE2 3.38Å; S122-F126 PolarHBondContact O-N 3.06Å
123S61.8Low71.8Confident86 Ų8652.1 Ų52.160%0.60132%0.315SS*.Hα-helixtrans-57.1-43.8174.8-66.90000112.9S121 F126 S127S121-S123 VanDerWaalsContact C-N 3.27Å; S121-S123 PolarHBondContact O-N 2.8Å; S123-F126 PolarHBondContact O-N 2.82Å; S123-S127 PolarHBondContact O-N 3.21Å
124E71.1Confident71.3Confident46 Ų4652.4 Ų52.422%0.21531%0.309CS..Hα-helixtrans-67.9-35.8177.5-75.9-167.4164.200112.8K117 P119 S120 S121 S122 F126 S127 T128K117-E124 VanDerWaalsContact CE-OE1 3.3Å; K117-E124 WeakPolarHBondContact CE-OE1 3.41Å; K117-E124 WeakPolarHBondContact CE-OE2 3.32Å; K117-E124 IonicContact NZ-OE1 3.14Å; K117-E124 PolarHBondContact NZ-OE1 3.4Å; K117-E124 IonicContact NZ-OE2 3.61Å; K117-E124 PolarHBondContact NZ-OE2 3.21Å; P119-E124 HydrophobicContact CB-CB 4.36Å; S120-E124 WeakPolarHBondContact CB-OE2 3.41Å; S120-E124 PolarHBondContact N-OE2 3.48Å; S120-E124 PolarHBondContact OG-OE2 3.09Å; S121-E124 PolarHBondContact O-N 3.15Å; S121-E124 VanDerWaalsContact O-N 3.16Å; S121-E124 WeakPolarHBondContact OG-CG 3.29Å; S121-E124 PolarHBondContact OG-N 3.35Å; S122-E124 PolarHBondContact O-N 3.37Å; E124-F126 PolarHBondContact O-N 3.25Å; E124-S127 WeakPolarHBondContact CA-OG 3.27Å; E124-S127 PolarHBondContact O-N 2.97Å; E124-S127 PolarHBondContact O-OG 3.46Å; E124-T128 PolarHBondContact O-N 3.4Å
125A63.3Low70.7Confident7 Ų751.1 Ų51.16%0.05830%0.296CS..Hα-helixtrans-60.4-26.5175.400000112.3P119 S121 S122 T128 L143P119-A125 HydrophobicContact CB-CB 3.92Å; P119-A125 HydrophobicContact CG-CB 4.4Å; S121-A125 PolarHBondContact O-N 3.13Å; S122-A125 WeakPolarHBondContact O-CB 3.43Å; S122-A125 PolarHBondContact O-N 3.13Å; A125-T128 WeakPolarHBondContact O-CG2 3.44Å; A125-L143 HydrophobicContact CB-CD1 4.49Å
126F54.1Low70Confident88 Ų8851.9 Ų51.939%0.38630%0.299SS..Hα-helixtrans-78.4-32.4170.9-65.4-75.3000113.7S122 S123 E124 K136 K140S122-F126 WeakPolarHBondContact O-CD2 3.45Å; S122-F126 VanDerWaalsContact O-CE2 3.28Å; S122-F126 WeakPolarHBondContact O-CE2 3.38Å; S122-F126 PolarHBondContact O-N 3.06Å; S123-F126 PolarHBondContact O-N 2.82Å; E124-F126 PolarHBondContact O-N 3.25Å; F126-K136 WeakPolarHBondContact O-CD 3.44Å; F126-K136 WeakPolarHBondContact O-CE 3.36Å; F126-K136 PolarHBondContact O-NZ 3.39Å; F126-K140 HydrophobicContact CE1-CB 4.35Å; F126-K140 HydrophobicContact CE1-CD 3.72Å; F126-K140 HydrophobicContact CE1-CG 4.09Å; F126-K140 HydrophobicContact CE2-CG 4.45Å; F126-K140 HydrophobicContact CZ-CB 4.31Å; F126-K140 HydrophobicContact CZ-CD 3.37Å; F126-K140 VanDerWaalsContact CZ-CE 3.48Å; F126-K140 HydrophobicContact CZ-CG 3.61Å
127S59.2Low69.7Low90 Ų9056.1 Ų56.163%0.62932%0.32SS*.Hα-helixtrans-83.6-21.2-174.874.40000114S123 E124S123-S127 PolarHBondContact O-N 3.21Å; E124-S127 WeakPolarHBondContact CA-OG 3.27Å; E124-S127 PolarHBondContact O-N 2.97Å; E124-S127 PolarHBondContact O-OG 3.46Å
128T64.9Low69.7Low17 Ų1759.5 Ų59.510%0.10433%0.332CS..  trans-64.4142.1-171.8-176.40000113.5P119 E124 A125 L130 V131 K136P119-T128 HydrophobicContact CG-CG2 4.18Å; E124-T128 PolarHBondContact O-N 3.4Å; A125-T128 WeakPolarHBondContact O-CG2 3.44Å; T128-L130 VanDerWaalsContact C-N 3.31Å; T128-L130 HydrophobicContact CG2-CB 4.24Å; T128-L130 WeakPolarHBondContact OG1-CB 3.46Å; T128-L130 PolarHBondContact OG1-N 3.29Å; T128-V131 HydrophobicContact CG2-CG2 3.7Å; T128-K136 WeakPolarHBondContact O-CE 3.12Å; T128-K136 PolarHBondContact O-NZ 3.48Å
129S59.9Low69.5Low111 Ų11159.6 Ų59.678%0.77633%0.332SS*.SBendtrans-83.8-4.9173.552.20000113.5V131S129-V131 PolarHBondContact O-N 3.02Å
130L61.9Low69.7Low22 Ų2264.2 Ų64.212%0.11535%0.352CS..SBendtrans-57.1-30.6-179.8-92.2159.6000114.2H116 K117 T128 L188H116-L130 HydrophobicContact CB-CD1 3.55Å; H116-L130 HydrophobicContact CB-CD2 3.31Å; H116-L130 HydrophobicContact CB-CG 3.34Å; K117-L130 VanDerWaalsContact O-CD1 3.27Å; K117-L130 WeakPolarHBondContact O-CD1 3.37Å; T128-L130 VanDerWaalsContact C-N 3.31Å; T128-L130 HydrophobicContact CG2-CB 4.24Å; T128-L130 WeakPolarHBondContact OG1-CB 3.46Å; T128-L130 PolarHBondContact OG1-N 3.29Å; L130-L188 HydrophobicContact CD1-CD1 4.49Å
131V65.5Low70.4Confident12 Ų1266.9 Ų66.97%0.07337%0.371CS..SBendtrans-130.9138.5-166.4-81.90000110.3T128 S129 E135 K136T128-V131 HydrophobicContact CG2-CG2 3.7Å; S129-V131 PolarHBondContact O-N 3.02Å; V131-E135 HydrophobicContact CB-CB 3.71Å; V131-E135 HydrophobicContact CG1-CB 3.88Å; V131-K136 HydrophobicContact CB-CG 4.15Å; V131-K136 HydrophobicContact CG2-CB 4.44Å; V131-K136 HydrophobicContact CG2-CD 4.42Å; V131-K136 HydrophobicContact CG2-CG 3.38Å; V131-K136 VanDerWaalsContact O-CE 3.31Å; V131-K136 WeakPolarHBondContact O-CE 3.42Å
132S67.2Low71.6Confident69 Ų6965.2 Ų65.248%0.48336%0.359SS..  trans-59160.6170.674.60000110.4F134 E135 K136S132-F134 PolarHBondContact O-N 2.85Å; S132-F134 VanDerWaalsContact O-N 3.15Å; S132-E135 PolarHBondContact O-N 3.26Å; S132-E135 WeakPolarHBondContact OG-CG 3.37Å; S132-E135 PolarHBondContact OG-N 2.85Å; S132-K136 PolarHBondContact O-N 2.96Å
133L70.1Confident72.9Confident131 Ų13161.9 Ų61.969%0.68633%0.334SS*.Hα-helixtrans-53.7-38.7-178.8-172.468.8000112.7K136 M137L133-K136 WeakPolarHBondContact O-CB 3.48Å; L133-K136 PolarHBondContact O-N 2.98Å; L133-M137 PolarHBondContact O-N 3.45Å
134F73.5Confident74.2Confident154 Ų15462 Ų6268%0.67533%0.326SS*.Hα-helixtrans-69.4-40.9177-69.3-77.9000112.5S132 K136 M137 R138S132-F134 PolarHBondContact O-N 2.85Å; S132-F134 VanDerWaalsContact O-N 3.15Å; F134-K136 VanDerWaalsContact C-N 3.3Å; F134-K136 PolarHBondContact O-N 3.22Å; F134-M137 PolarHBondContact O-N 2.87Å; F134-R138 PolarHBondContact O-N 2.92Å
135E78.4Confident75.4Confident15 Ų1561 Ų617%0.0732%0.32CS..Hα-helixtrans-65.5-33.6175.8-71.6-62.6123.500111.8V131 S132 M137 R138 L139 N182V131-E135 HydrophobicContact CB-CB 3.71Å; V131-E135 HydrophobicContact CG1-CB 3.88Å; S132-E135 PolarHBondContact O-N 3.26Å; S132-E135 WeakPolarHBondContact OG-CG 3.37Å; S132-E135 PolarHBondContact OG-N 2.85Å; E135-M137 VanDerWaalsContact C-N 3.33Å; E135-M137 PolarHBondContact O-N 3.32Å; E135-R138 PolarHBondContact O-N 3.26Å; E135-R138 IonicContact OE1-CZ 2.75Å; E135-R138 IonicContact OE1-NE 2.7Å; E135-R138 IonicContact OE1-NH1 3.99Å; E135-R138 PolarHBondContact OE1-NH1 2.9Å; E135-L139 WeakPolarHBondContact O-CB 3.5Å; E135-L139 PolarHBondContact O-N 2.9Å; E135-N182 WeakPolarHBondContact OE2-CB 3.19Å; E135-N182 PolarHBondContact OE2-N 3.29Å; E135-N182 VanDerWaalsContact OE2-N 3.12Å; E135-N182 PolarHBondContact OE2-ND2 3.19Å; E135-N182 PolarHBondContact OE2-OD1 3.43Å
136K77Confident76.8Confident40 Ų4060.7 Ų60.717%0.17432%0.317CS..Hα-helixtrans-58.8-42.9173-70.8177.6179.2-168.80112.6F126 T128 V131 S132 L133 F134 K140F126-K136 WeakPolarHBondContact O-CD 3.44Å; F126-K136 WeakPolarHBondContact O-CE 3.36Å; F126-K136 PolarHBondContact O-NZ 3.39Å; T128-K136 WeakPolarHBondContact O-CE 3.12Å; T128-K136 PolarHBondContact O-NZ 3.48Å; V131-K136 HydrophobicContact CB-CG 4.15Å; V131-K136 HydrophobicContact CG2-CB 4.44Å; V131-K136 HydrophobicContact CG2-CD 4.42Å; V131-K136 HydrophobicContact CG2-CG 3.38Å; V131-K136 VanDerWaalsContact O-CE 3.31Å; V131-K136 WeakPolarHBondContact O-CE 3.42Å; S132-K136 PolarHBondContact O-N 2.96Å; L133-K136 WeakPolarHBondContact O-CB 3.48Å; L133-K136 PolarHBondContact O-N 2.98Å; F134-K136 VanDerWaalsContact C-N 3.3Å; F134-K136 PolarHBondContact O-N 3.22Å; K136-K140 WeakPolarHBondContact O-CB 3.38Å; K136-K140 PolarHBondContact O-N 2.93Å
137M81.7Confident78.7Confident125 Ų12560.2 Ų60.262%0.61632%0.318SS*.Hα-helixtrans-65.6-42178.2-69.2-172.568.400111.5L133 F134 E135 K140 S141L133-M137 PolarHBondContact O-N 3.45Å; F134-M137 PolarHBondContact O-N 2.87Å; E135-M137 VanDerWaalsContact C-N 3.33Å; E135-M137 PolarHBondContact O-N 3.32Å; M137-K140 PolarHBondContact O-N 3.11Å; M137-S141 PolarHBondContact O-N 3.47Å; M137-S141 PolarHBondContact O-OG 2.68Å
138R87Confident80.4Confident109 Ų10960.2 Ų60.241%0.41131%0.311SS..Hα-helixtrans-64.4-47.5177-66.5-179.7-178.6168.60.9111.9F134 E135 K140 S141 F142 F179 G180 V181F134-R138 PolarHBondContact O-N 2.92Å; E135-R138 PolarHBondContact O-N 3.26Å; E135-R138 IonicContact OE1-CZ 2.75Å; E135-R138 IonicContact OE1-NE 2.7Å; E135-R138 IonicContact OE1-NH1 3.99Å; E135-R138 PolarHBondContact OE1-NH1 2.9Å; R138-K140 VanDerWaalsContact C-N 3.34Å; R138-K140 PolarHBondContact O-N 3.43Å; R138-S141 PolarHBondContact O-N 2.99Å; R138-F142 WeakPolarHBondContact O-CB 3.42Å; R138-F142 PolarHBondContact O-N 2.59Å; R138-F179 WeakPolarHBondContact CB-O 3.36Å; R138-F179 WeakPolarHBondContact CD-O 3.41Å; R138-F179 WeakPolarHBondContact CG-O 3.22Å; R138-G180 WeakPolarHBondContact CD-O 3.48Å; R138-G180 PolarHBondContact NH1-O 2.95Å; R138-V181 HydrophobicContact CB-CG1 4.32Å
139L83.2Confident81.9Confident2 Ų259.8 Ų59.81%0.0131%0.308CS..Hα-helixtrans-58-47175.2176.659.3000110.5E135 S141 F142 L143 T185E135-L139 WeakPolarHBondContact O-CB 3.5Å; E135-L139 PolarHBondContact O-N 2.9Å; L139-S141 PolarHBondContact O-N 3.33Å; L139-F142 PolarHBondContact O-N 3.41Å; L139-L143 HydrophobicContact CD1-CD1 3.73Å; L139-L143 HydrophobicContact CD1-CD2 4.09Å; L139-L143 HydrophobicContact CD1-CG 3.67Å; L139-L143 HydrophobicContact CD2-CD1 4.5Å; L139-L143 HydrophobicContact CG-CD1 3.81Å; L139-L143 HydrophobicContact CG-CG 4.15Å; L139-L143 WeakPolarHBondContact O-CB 3.35Å; L139-L143 WeakPolarHBondContact O-CG 3.2Å; L139-L143 PolarHBondContact O-N 2.49Å; L139-T185 HydrophobicContact CD1-CG2 3.7Å
140K82.1Confident83.7Confident101 Ų10156.4 Ų56.444%0.43928%0.282SS..Hα-helixtrans-56.7-52.3176.2-175.4-147.7-179.6156.60111.9F126 K136 M137 R138 F142 L143 Q144F126-K140 HydrophobicContact CE1-CB 4.35Å; F126-K140 HydrophobicContact CE1-CD 3.72Å; F126-K140 HydrophobicContact CE1-CG 4.09Å; F126-K140 HydrophobicContact CE2-CG 4.45Å; F126-K140 HydrophobicContact CZ-CB 4.31Å; F126-K140 HydrophobicContact CZ-CD 3.37Å; F126-K140 VanDerWaalsContact CZ-CE 3.48Å; F126-K140 HydrophobicContact CZ-CG 3.61Å; K136-K140 WeakPolarHBondContact O-CB 3.38Å; K136-K140 PolarHBondContact O-N 2.93Å; M137-K140 PolarHBondContact O-N 3.11Å; R138-K140 VanDerWaalsContact C-N 3.34Å; R138-K140 PolarHBondContact O-N 3.43Å; K140-F142 VanDerWaalsContact C-N 3.29Å; K140-F142 PolarHBondContact O-N 2.82Å; K140-L143 PolarHBondContact O-N 2.92Å; K140-Q144 WeakPolarHBondContact O-CB 3.5Å; K140-Q144 PolarHBondContact O-N 3.11Å
141S88.7Confident85.3Confident61 Ų6157.3 Ų57.343%0.42729%0.289SS..Hα-helixtrans-61.7-40.7-178.7-63.50000111.7M137 R138 L139 W145M137-S141 PolarHBondContact O-N 3.47Å; M137-S141 PolarHBondContact O-OG 2.68Å; R138-S141 PolarHBondContact O-N 2.99Å; L139-S141 PolarHBondContact O-N 3.33Å; S141-W145 WeakPolarHBondContact O-CB 3.5Å; S141-W145 PolarHBondContact O-N 2.93Å
142F91.6Very high86.8Confident0 Ų063.8 Ų63.80%032%0.323CS..Hα-helixtrans-62.9-50.1174.9172.1-119000111.9R138 L139 K140 Q144 W145 V146 I172 A175 F176 F179 V181 V189 M214R138-F142 WeakPolarHBondContact O-CB 3.42Å; R138-F142 PolarHBondContact O-N 2.59Å; L139-F142 PolarHBondContact O-N 3.41Å; K140-F142 VanDerWaalsContact C-N 3.29Å; K140-F142 PolarHBondContact O-N 2.82Å; F142-Q144 PolarHBondContact O-N 3.18Å; F142-W145 HydrophobicContact CD2-CE3 4.17Å; F142-W145 HydrophobicContact CE2-CE3 4.2Å; F142-W145 HydrophobicContact CE2-CZ3 4.17Å; F142-W145 PolarHBondContact O-N 3.19Å; F142-V146 HydrophobicContact CD2-CG2 4.04Å; F142-V146 HydrophobicContact CE1-CG2 4.26Å; F142-V146 HydrophobicContact CE2-CG2 3.57Å; F142-V146 HydrophobicContact CZ-CG2 3.68Å; F142-V146 WeakPolarHBondContact O-CG2 3.31Å; F142-V146 PolarHBondContact O-N 3.37Å; F142-I172 HydrophobicContact CE2-CD1 4.39Å; F142-I172 HydrophobicContact CZ-CD1 4.39Å; F142-A175 HydrophobicContact CD2-CB 4.47Å; F142-A175 HydrophobicContact CE2-CB 3.92Å; F142-F176 HydrophobicContact CE1-CD1 4.19Å; F142-F176 AromaticContact CE1-CE1 3.73Å; F142-F176 HydrophobicContact CE1-CE1 3.73Å; F142-F176 HydrophobicContact CE2-CD1 4.14Å; F142-F176 HydrophobicContact CE2-CE1 4.24Å; F142-F176 AromaticContact CZ-CD1 3.82Å; F142-F176 HydrophobicContact CZ-CD1 3.82Å; F142-F176 AromaticContact CZ-CE1 3.47Å; F142-F176 HydrophobicContact CZ-CE1 3.47Å; F142-F176 VanDerWaalsContact CZ-CE1 3.47Å; F142-F179 HydrophobicContact CB-CB 3.91Å; F142-F179 HydrophobicContact CB-CD1 4.19Å; F142-F179 HydrophobicContact CB-CD2 4Å; F142-F179 HydrophobicContact CB-CG 3.76Å; F142-F179 AromaticContact CD2-CD2 3.53Å; F142-F179 HydrophobicContact CD2-CD2 3.53Å; F142-F179 AromaticContact CD2-CE2 3.99Å; F142-F179 HydrophobicContact CD2-CE2 3.99Å; F142-F179 HydrophobicContact CD2-CG 4.17Å; F142-F179 HydrophobicContact CG-CD2 4.23Å; F142-F179 HydrophobicContact CG-CG 4.43Å; F142-V181 HydrophobicContact CB-CG1 4.17Å; F142-V181 HydrophobicContact CD1-CG1 4.48Å; F142-V181 HydrophobicContact CG-CG1 4.4Å; F142-V189 HydrophobicContact CE1-CG1 4.48Å; F142-V189 HydrophobicContact CE1-CG2 3.97Å; F142-M214 HydrophobicContact CD1-CE 4.34Å; F142-M214 HydrophobicContact CE1-CE 3.53Å; F142-M214 HydrophobicContact CE1-SD 4.1Å; F142-M214 HydrophobicContact CZ-CE 3.95Å; F142-M214 HydrophobicContact CZ-SD 3.95Å
143L88.9Confident88.2Confident13 Ų1366.4 Ų66.47%0.06833%0.325CS..Hα-helixtrans-63-43179.9-69.5179.2000112A125 L139 K140 W145 V146 L147 M214 Y218A125-L143 HydrophobicContact CB-CD1 4.49Å; L139-L143 HydrophobicContact CD1-CD1 3.73Å; L139-L143 HydrophobicContact CD1-CD2 4.09Å; L139-L143 HydrophobicContact CD1-CG 3.67Å; L139-L143 HydrophobicContact CD2-CD1 4.5Å; L139-L143 HydrophobicContact CG-CD1 3.81Å; L139-L143 HydrophobicContact CG-CG 4.15Å; L139-L143 WeakPolarHBondContact O-CB 3.35Å; L139-L143 WeakPolarHBondContact O-CG 3.2Å; L139-L143 PolarHBondContact O-N 2.49Å; K140-L143 PolarHBondContact O-N 2.92Å; L143-W145 VanDerWaalsContact C-N 3.34Å; L143-W145 PolarHBondContact O-N 3.33Å; L143-V146 PolarHBondContact O-N 3.37Å; L143-L147 WeakPolarHBondContact O-CG 3.44Å; L143-L147 PolarHBondContact O-N 3.25Å; L143-M214 HydrophobicContact CD2-CE 3.36Å; L143-Y218 WeakPolarHBondContact CD1-OH 3.44Å; L143-Y218 HydrophobicContact CD2-CE2 3.83Å; L143-Y218 WeakPolarHBondContact CD2-OH 3.3Å
144Q89.7Confident89.4Confident90 Ų9063.5 Ų63.542%0.42132%0.315SS..Hα-helixtrans-59-48.8175.9-176.960.259.800110.3K140 F142 V146 L147 D148K140-Q144 WeakPolarHBondContact O-CB 3.5Å; K140-Q144 PolarHBondContact O-N 3.11Å; F142-Q144 PolarHBondContact O-N 3.18Å; Q144-V146 PolarHBondContact O-N 3.19Å; Q144-L147 PolarHBondContact O-N 2.54Å; Q144-L147 VanDerWaalsContact O-N 3.17Å; Q144-D148 PolarHBondContact NE2-OD1 3.03Å; Q144-D148 VanDerWaalsContact NE2-OD1 3.11Å; Q144-D148 PolarHBondContact NE2-OD2 2.81Å; Q144-D148 VanDerWaalsContact O-CG 3.25Å; Q144-D148 PolarHBondContact O-N 2.92Å; Q144-D148 VanDerWaalsContact O-N 3.07Å
145W94.8Very high90.5Very high25 Ų2560.3 Ų60.310%0.09532%0.316CS..Hα-helixtrans-57.1-48175.7173.772.5000111.7S141 F142 L143 L147 D148 V149 T156 W157 V160 Y161 V167 A175 F179 I211S141-W145 WeakPolarHBondContact O-CB 3.5Å; S141-W145 PolarHBondContact O-N 2.93Å; F142-W145 HydrophobicContact CD2-CE3 4.17Å; F142-W145 HydrophobicContact CE2-CE3 4.2Å; F142-W145 HydrophobicContact CE2-CZ3 4.17Å; F142-W145 PolarHBondContact O-N 3.19Å; L143-W145 VanDerWaalsContact C-N 3.34Å; L143-W145 PolarHBondContact O-N 3.33Å; W145-L147 VanDerWaalsContact C-N 3.28Å; W145-L147 PolarHBondContact O-N 2.73Å; W145-D148 PolarHBondContact O-N 2.87Å; W145-V149 HydrophobicContact CD2-CG2 3.96Å; W145-V149 VanDerWaalsContact CE2-CG2 3.46Å; W145-V149 HydrophobicContact CE3-CG2 4.37Å; W145-V149 HydrophobicContact CH2-CG2 3.93Å; W145-V149 HydrophobicContact CZ2-CG2 3.48Å; W145-V149 VanDerWaalsContact CZ2-CG2 3.48Å; W145-V149 HydrophobicContact CZ3-CG2 4.35Å; W145-V149 WeakPolarHBondContact O-CG2 3.41Å; W145-V149 PolarHBondContact O-N 2.85Å; W145-T156 PolarHBondContact NE1-O 3.06Å; W145-T156 VanDerWaalsContact NE1-O 3.14Å; W145-W157 HydrophobicContact CZ2-CB 4.03Å; W145-V160 HydrophobicContact CD2-CG2 3.96Å; W145-V160 VanDerWaalsContact CE2-CG2 3.49Å; W145-V160 HydrophobicContact CG-CG2 4.2Å; W145-V160 HydrophobicContact CH2-CB 4.38Å; W145-V160 HydrophobicContact CH2-CG1 4.18Å; W145-V160 HydrophobicContact CZ2-CB 3.71Å; W145-V160 HydrophobicContact CZ2-CG1 4.01Å; W145-V160 HydrophobicContact CZ2-CG2 3.91Å; W145-Y161 HydrophobicContact CH2-CD2 4.12Å; W145-Y161 AromaticContact CH2-CE2 3.62Å; W145-Y161 HydrophobicContact CH2-CE2 3.62Å; W145-Y161 HydrophobicContact CZ2-CD2 4.12Å; W145-Y161 HydrophobicContact CZ2-CE2 4.09Å; W145-V167 HydrophobicContact CH2-CG1 4.41Å; W145-V167 HydrophobicContact CZ2-CG1 4.45Å; W145-A175 HydrophobicContact CE3-CB 4.4Å; W145-A175 HydrophobicContact CH2-CB 3.99Å; W145-A175 HydrophobicContact CZ3-CB 3.6Å; W145-F179 HydrophobicContact CB-CE1 4.15Å; W145-F179 HydrophobicContact CB-CE2 4.02Å; W145-F179 HydrophobicContact CB-CZ 3.4Å; W145-F179 AromaticContact CD2-CE2 3.69Å; W145-F179 HydrophobicContact CD2-CE2 3.69Å; W145-F179 AromaticContact CD2-CZ 3.86Å; W145-F179 HydrophobicContact CD2-CZ 3.86Å; W145-F179 AromaticContact CE3-CE2 3.61Å; W145-F179 HydrophobicContact CE3-CE2 3.61Å; W145-F179 HydrophobicContact CE3-CZ 4.2Å; W145-F179 AromaticContact CG-CE2 3.86Å; W145-F179 HydrophobicContact CG-CE2 3.86Å; W145-F179 AromaticContact CG-CZ 3.49Å; W145-F179 HydrophobicContact CG-CZ 3.49Å; W145-F179 VanDerWaalsContact CG-CZ 3.49Å; W145-F179 HydrophobicContact CZ3-CE2 4.41Å; W145-I211 HydrophobicContact CH2-CD1 3.72Å; W145-I211 HydrophobicContact CZ3-CD1 4.04Å; W145-I211 HydrophobicContact CZ3-CG1 4.44Å
146V94.4Very high91.4Very high0 Ų061.3 Ų61.30%032%0.324CS..Hα-helixtrans-55.7-42177.11660000112.1F142 L143 Q144 D148 V149 I211 M214 Q215F142-V146 HydrophobicContact CD2-CG2 4.04Å; F142-V146 HydrophobicContact CE1-CG2 4.26Å; F142-V146 HydrophobicContact CE2-CG2 3.57Å; F142-V146 HydrophobicContact CZ-CG2 3.68Å; F142-V146 WeakPolarHBondContact O-CG2 3.31Å; F142-V146 PolarHBondContact O-N 3.37Å; L143-V146 PolarHBondContact O-N 3.37Å; Q144-V146 PolarHBondContact O-N 3.19Å; V146-D148 VanDerWaalsContact C-N 3.28Å; V146-D148 PolarHBondContact O-N 3Å; V146-V149 PolarHBondContact O-N 2.97Å; V146-I211 HydrophobicContact CG1-CG2 4.21Å; V146-I211 HydrophobicContact CG2-CG1 4.41Å; V146-M214 HydrophobicContact CB-CE 4.27Å; V146-M214 HydrophobicContact CG1-CB 3.64Å; V146-M214 HydrophobicContact CG1-CE 3.94Å; V146-M214 HydrophobicContact CG1-CG 4.36Å; V146-M214 HydrophobicContact CG1-SD 3.87Å; V146-M214 HydrophobicContact CG2-CE 3.94Å; V146-M214 HydrophobicContact CG2-SD 3.95Å; V146-Q215 HydrophobicContact CG1-CG 4.38Å; V146-Q215 PolarHBondContact O-NE2 3.35Å
147L92.3Very high92.4Very high77 Ų7760.5 Ų60.540%0.40332%0.32SS..Hα-helixtrans-69.1-26.7178.3-68175.4000112.9L143 Q144 W145 Y218L143-L147 WeakPolarHBondContact O-CG 3.44Å; L143-L147 PolarHBondContact O-N 3.25Å; Q144-L147 PolarHBondContact O-N 2.54Å; Q144-L147 VanDerWaalsContact O-N 3.17Å; W145-L147 VanDerWaalsContact C-N 3.28Å; W145-L147 PolarHBondContact O-N 2.73Å; L147-Y218 HydrophobicContact CD2-CD2 3.87Å; L147-Y218 HydrophobicContact CD2-CG 4.05Å
148D95.1Very high93.2Very high91 Ų9156.7 Ų56.749%0.48730%0.304SS..Hα-helixtrans-87.6-14.9179.6-63.3-30.5000113.3Q144 W145 V146 D150 T156Q144-D148 PolarHBondContact NE2-OD1 3.03Å; Q144-D148 VanDerWaalsContact NE2-OD1 3.11Å; Q144-D148 PolarHBondContact NE2-OD2 2.81Å; Q144-D148 VanDerWaalsContact O-CG 3.25Å; Q144-D148 PolarHBondContact O-N 2.92Å; Q144-D148 VanDerWaalsContact O-N 3.07Å; W145-D148 PolarHBondContact O-N 2.87Å; V146-D148 VanDerWaalsContact C-N 3.28Å; V146-D148 PolarHBondContact O-N 3Å; D148-D150 PolarHBondContact O-N 3.01Å; D148-T156 WeakPolarHBondContact O-CB 3.22Å; D148-T156 WeakPolarHBondContact O-CG2 3.38Å
149V97.7Very high93.6Very high7 Ų756.8 Ų56.84%0.04232%0.316CS..  trans-65.9126.3179.9171.30000111.6W145 V146 W157 I208 I211 Q215W145-V149 HydrophobicContact CD2-CG2 3.96Å; W145-V149 VanDerWaalsContact CE2-CG2 3.46Å; W145-V149 HydrophobicContact CE3-CG2 4.37Å; W145-V149 HydrophobicContact CH2-CG2 3.93Å; W145-V149 HydrophobicContact CZ2-CG2 3.48Å; W145-V149 VanDerWaalsContact CZ2-CG2 3.48Å; W145-V149 HydrophobicContact CZ3-CG2 4.35Å; W145-V149 WeakPolarHBondContact O-CG2 3.41Å; W145-V149 PolarHBondContact O-N 2.85Å; V146-V149 PolarHBondContact O-N 2.97Å; V149-W157 HydrophobicContact CG1-CB 4.27Å; V149-W157 HydrophobicContact CG2-CB 4.14Å; V149-I208 HydrophobicContact CG1-CD1 4.44Å; V149-I211 HydrophobicContact CB-CG2 3.97Å; V149-I211 HydrophobicContact CG1-CD1 4.21Å; V149-I211 HydrophobicContact CG1-CG2 3.99Å; V149-I211 HydrophobicContact CG2-CD1 4.38Å; V149-Q215 PolarHBondContact O-NE2 2.72Å
150D97.2Very high94.3Very high41 Ų4157 Ų5722%0.21932%0.317CS..  trans-123.8115.2167178.6-20.2000107.9D148 D152 K153 T156 W157D148-D150 PolarHBondContact O-N 3.01Å; D150-D152 PolarHBondContact O-N 3.07Å; D150-D152 VanDerWaalsContact O-N 3.16Å; D150-D152 PolarHBondContact OD1-N 3.15Å; D150-K153 HydrophobicContact CB-CB 4.1Å; D150-K153 HydrophobicContact CB-CD 4.33Å; D150-K153 HydrophobicContact CB-CG 4.3Å; D150-K153 CarbonylContact O-C 3.56Å; D150-K153 PolarHBondContact O-N 2.87Å; D150-K153 WeakPolarHBondContact OD2-CD 3.36Å; D150-K153 WeakPolarHBondContact OD2-CE 3.18Å; D150-K153 IonicContact OD2-NZ 3.51Å; D150-K153 PolarHBondContact OD2-NZ 2.72Å; D150-T156 HydrophobicContact CB-CG2 4.16Å; D150-T156 PolarHBondContact N-OG1 3.33Å; D150-T156 PolarHBondContact O-OG1 2.91Å; D150-W157 PolarHBondContact O-NE1 2.89Å
151P95Very high95.1Very high41 Ų4152.1 Ų52.127%0.26630%0.296SS..THydrogen-bonded Turntrans-59.8-28.3-174.924.1-32.9000113K153 W157 I208P151-K153 VanDerWaalsContact C-N 3.32Å; P151-W157 PolarHBondContact O-NE1 2.88Å; P151-I208 HydrophobicContact CB-CD1 3.68Å; P151-I208 HydrophobicContact CB-CG1 3.98Å; P151-I208 HydrophobicContact CG-CD1 3.83Å; P151-I208 HydrophobicContact CG-CG1 4.29Å
152D96.2Very high95.4Very high147 Ų14752.4 Ų52.479%0.78630%0.297SS*.THydrogen-bonded Turntrans-84.2-8.9-178.7-61.1-41.5000112.5D150 P154D150-D152 PolarHBondContact O-N 3.07Å; D150-D152 VanDerWaalsContact O-N 3.16Å; D150-D152 PolarHBondContact OD1-N 3.15Å; D152-P154 WeakPolarHBondContact O-CD 3.41Å
153K97Very high95.6Very high124 Ų12457.7 Ų57.754%0.53933%0.331SS..  trans-117.391.3177.5-61.9-176.8-174.1119.30110.7D150 P151 A155 T156D150-K153 HydrophobicContact CB-CB 4.1Å; D150-K153 HydrophobicContact CB-CD 4.33Å; D150-K153 HydrophobicContact CB-CG 4.3Å; D150-K153 CarbonylContact O-C 3.56Å; D150-K153 PolarHBondContact O-N 2.87Å; D150-K153 WeakPolarHBondContact OD2-CD 3.36Å; D150-K153 WeakPolarHBondContact OD2-CE 3.18Å; D150-K153 IonicContact OD2-NZ 3.51Å; D150-K153 PolarHBondContact OD2-NZ 2.72Å; P151-K153 VanDerWaalsContact C-N 3.32Å; K153-A155 PolarHBondContact O-N 3.39Å; K153-T156 HydrophobicContact CB-CG2 3.92Å; K153-T156 WeakPolarHBondContact O-CB 2.98Å; K153-T156 PolarHBondContact O-N 2.87Å; K153-T156 PolarHBondContact O-OG1 3.44Å
154P95.8Very high95.9Very high71 Ų7163.4 Ų63.446%0.46137%0.369SS..G310 helixtrans-51.2-31.3-177.5-3035.4000115.5D152 T156 W157 T158D152-P154 WeakPolarHBondContact O-CD 3.41Å; P154-T156 PolarHBondContact O-N 2.87Å; P154-T156 VanDerWaalsContact O-N 3.11Å; P154-W157 HydrophobicContact CB-CZ2 4.05Å; P154-W157 HydrophobicContact CG-CZ2 4.23Å; P154-W157 PolarHBondContact O-N 3.06Å; P154-T158 HydrophobicContact CB-CG2 3.98Å; P154-T158 VanDerWaalsContact O-CB 3.3Å; P154-T158 WeakPolarHBondContact O-CB 3.03Å; P154-T158 WeakPolarHBondContact O-CG2 3.47Å; P154-T158 PolarHBondContact O-N 2.88Å; P154-T158 PolarHBondContact O-OG1 2.8Å
155A97Very high96.3Very high86 Ų8663.4 Ų63.471%0.71137%0.367SS*.G310 helixtrans-59.5-22.3177.900000113.8K153K153-A155 PolarHBondContact O-N 3.39Å
156T97.6Very high96.4Very high37 Ų3763.1 Ų63.123%0.22737%0.369CS..G310 helixtrans-80.4-21.6-178.666.30000113.6W145 D148 D150 K153 P154W145-T156 PolarHBondContact NE1-O 3.06Å; W145-T156 VanDerWaalsContact NE1-O 3.14Å; D148-T156 WeakPolarHBondContact O-CB 3.22Å; D148-T156 WeakPolarHBondContact O-CG2 3.38Å; D150-T156 HydrophobicContact CB-CG2 4.16Å; D150-T156 PolarHBondContact N-OG1 3.33Å; D150-T156 PolarHBondContact O-OG1 2.91Å; K153-T156 HydrophobicContact CB-CG2 3.92Å; K153-T156 WeakPolarHBondContact O-CB 2.98Å; K153-T156 PolarHBondContact O-N 2.87Å; K153-T156 PolarHBondContact O-OG1 3.44Å; P154-T156 PolarHBondContact O-N 2.87Å; P154-T156 VanDerWaalsContact O-N 3.11Å
157W97.7Very high96.5Very high23 Ų2363.1 Ų63.19%0.08737%0.369CS..THydrogen-bonded Turntrans-130.6-16.1-172.254.4-103.4000115.3W145 V149 D150 P151 P154 T159 V160 Y161 V167W145-W157 HydrophobicContact CZ2-CB 4.03Å; V149-W157 HydrophobicContact CG1-CB 4.27Å; V149-W157 HydrophobicContact CG2-CB 4.14Å; D150-W157 PolarHBondContact O-NE1 2.89Å; P151-W157 PolarHBondContact O-NE1 2.88Å; P154-W157 HydrophobicContact CB-CZ2 4.05Å; P154-W157 HydrophobicContact CG-CZ2 4.23Å; P154-W157 PolarHBondContact O-N 3.06Å; W157-T159 VanDerWaalsContact C-N 3.26Å; W157-T159 PolarHBondContact O-N 2.87Å; W157-V160 PolarHBondContact O-N 2.92Å; W157-Y161 PolarHBondContact O-N 3.43Å; W157-V167 HydrophobicContact CB-CG1 3.69Å; W157-V167 HydrophobicContact CB-CG2 4.45Å; W157-V167 HydrophobicContact CD2-CG1 4.12Å; W157-V167 HydrophobicContact CD2-CG2 3.77Å; W157-V167 HydrophobicContact CE3-CG1 4.23Å; W157-V167 HydrophobicContact CE3-CG2 4.3Å; W157-V167 HydrophobicContact CG-CG1 3.94Å; W157-V167 HydrophobicContact CG-CG2 3.84Å; W157-V167 HydrophobicContact CZ2-CG2 4.49Å
158T97.3Very high96.7Very high45 Ų4563 Ų6328%0.27637%0.369SS..THydrogen-bonded Turntrans-66.6-20.8-176.744.70000114.6P154 V160 Y161 P162P154-T158 HydrophobicContact CB-CG2 3.98Å; P154-T158 VanDerWaalsContact O-CB 3.3Å; P154-T158 WeakPolarHBondContact O-CB 3.03Å; P154-T158 WeakPolarHBondContact O-CG2 3.47Å; P154-T158 PolarHBondContact O-N 2.88Å; P154-T158 PolarHBondContact O-OG1 2.8Å; T158-V160 PolarHBondContact O-N 2.89Å; T158-Y161 CarbonylContact O-C 3.34Å; T158-P162 VanDerWaalsContact O-CA 3.3Å; T158-P162 WeakPolarHBondContact O-CA 3.21Å; T158-P162 VanDerWaalsContact O-N 3.11Å
159T96.1Very high96.8Very high110 Ų11067 Ų6768%0.67538%0.383SS*.THydrogen-bonded Turntrans-63.1-31.9170.5-540000112.3W157W157-T159 VanDerWaalsContact C-N 3.26Å; W157-T159 PolarHBondContact O-N 2.87Å
160V98Very high96.8Very high6 Ų669 Ų694%0.03639%0.393CS..THydrogen-bonded Turntrans-96.9-37.3179.9-1790000110.9W145 W157 T158 P162 A175 H178 F179W145-V160 HydrophobicContact CD2-CG2 3.96Å; W145-V160 VanDerWaalsContact CE2-CG2 3.49Å; W145-V160 HydrophobicContact CG-CG2 4.2Å; W145-V160 HydrophobicContact CH2-CB 4.38Å; W145-V160 HydrophobicContact CH2-CG1 4.18Å; W145-V160 HydrophobicContact CZ2-CB 3.71Å; W145-V160 HydrophobicContact CZ2-CG1 4.01Å; W145-V160 HydrophobicContact CZ2-CG2 3.91Å; W157-V160 PolarHBondContact O-N 2.92Å; T158-V160 PolarHBondContact O-N 2.89Å; V160-P162 WeakPolarHBondContact O-CD 3.39Å; V160-A175 HydrophobicContact CG1-CB 3.98Å; V160-H178 HydrophobicContact CG1-CB 3.88Å; V160-F179 HydrophobicContact CG1-CE2 4.24Å; V160-F179 HydrophobicContact CG2-CE2 3.8Å; V160-F179 HydrophobicContact CG2-CZ 3.87Å
161Y98Very high96.7Very high0 Ų068.4 Ų68.40%039%0.392CS..SBendtrans-115.873.2177.1-68.3-107.1000110.3W145 W157 T158 K165 V167 D170 S171 I172 V174 A175 A207W145-Y161 HydrophobicContact CH2-CD2 4.12Å; W145-Y161 AromaticContact CH2-CE2 3.62Å; W145-Y161 HydrophobicContact CH2-CE2 3.62Å; W145-Y161 HydrophobicContact CZ2-CD2 4.12Å; W145-Y161 HydrophobicContact CZ2-CE2 4.09Å; W157-Y161 PolarHBondContact O-N 3.43Å; T158-Y161 CarbonylContact O-C 3.34Å; Y161-K165 HydrophobicContact CD1-CB 4.22Å; Y161-V167 HydrophobicContact CD1-CG1 4.29Å; Y161-V167 HydrophobicContact CD2-CG1 3.49Å; Y161-V167 VanDerWaalsContact CD2-CG1 3.49Å; Y161-V167 HydrophobicContact CE2-CG1 3.79Å; Y161-V167 HydrophobicContact CG-CG1 3.8Å; Y161-D170 HydrophobicContact CD1-CB 3.95Å; Y161-D170 HydrophobicContact CE1-CB 3.79Å; Y161-S171 WeakPolarHBondContact CE1-O 3.25Å; Y161-S171 PolarHBondContact OH-O 2.69Å; Y161-I172 WeakPolarHBondContact OH-CA 3.35Å; Y161-V174 HydrophobicContact CD1-CB 4.16Å; Y161-V174 HydrophobicContact CD1-CG1 3.94Å; Y161-V174 HydrophobicContact CD2-CG1 4.47Å; Y161-V174 HydrophobicContact CE1-CB 3.51Å; Y161-V174 HydrophobicContact CE1-CG1 3.78Å; Y161-V174 HydrophobicContact CE1-CG2 3.97Å; Y161-V174 HydrophobicContact CE2-CB 4.39Å; Y161-V174 HydrophobicContact CE2-CG1 4.3Å; Y161-V174 HydrophobicContact CG-CG1 4.26Å; Y161-A175 HydrophobicContact CE2-CB 3.95Å; Y161-A175 PolarHBondContact OH-N 3.39Å; Y161-A207 HydrophobicContact CE1-CB 4.03Å; Y161-A207 HydrophobicContact CE2-CB 4.42Å; Y161-A207 VanDerWaalsContact OH-CB 3.25Å; Y161-A207 WeakPolarHBondContact OH-CB 3.27Å
162P96.3Very high96.8Very high66 Ų6666.4 Ų66.443%0.42938%0.379SS..  trans-69.5149.317628.9-34.9000110.8T158 V160 K165T158-P162 VanDerWaalsContact O-CA 3.3Å; T158-P162 WeakPolarHBondContact O-CA 3.21Å; T158-P162 VanDerWaalsContact O-N 3.11Å; V160-P162 WeakPolarHBondContact O-CD 3.39Å; P162-K165 VanDerWaalsContact O-CB 3.3Å; P162-K165 WeakPolarHBondContact O-CB 3.44Å; P162-K165 PolarHBondContact O-N 2.75Å
163P95.5Very high96.8Very high111 Ų11161.1 Ų61.172%0.72135%0.351SS*.THydrogen-bonded Turntrans-50.4141.6176.2-28.635.5000112.9K165P163-K165 VanDerWaalsContact C-N 3.32Å
164P95.7Very high96.8Very high134 Ų13456.8 Ų56.887%0.8733%0.334SS*.THydrogen-bonded Turncis-83.25.7735-37000114.7
165K97.1Very high96.9Very high89 Ų8953.4 Ų53.439%0.38731%0.312SS..  trans-71.6155179.9-59.9-165.6176.379.50112.2Y161 P162 P163 D170 V174Y161-K165 HydrophobicContact CD1-CB 4.22Å; P162-K165 VanDerWaalsContact O-CB 3.3Å; P162-K165 WeakPolarHBondContact O-CB 3.44Å; P162-K165 PolarHBondContact O-N 2.75Å; P163-K165 VanDerWaalsContact C-N 3.32Å; K165-D170 WeakPolarHBondContact CA-OD2 3.49Å; K165-D170 WeakPolarHBondContact CB-OD2 3.1Å; K165-V174 HydrophobicContact CD-CG1 3.88Å; K165-V174 HydrophobicContact CD-CG2 3.96Å
166S96.7Very high96.8Very high19 Ų1949.3 Ų49.313%0.13328%0.279CS..  trans-151142175178.10000111N168 K169 D170S166-N168 PolarHBondContact O-N 2.84Å; S166-N168 VanDerWaalsContact O-N 3.09Å; S166-N168 PolarHBondContact OG-N 3.06Å; S166-K169 PolarHBondContact O-N 3.43Å; S166-D170 PolarHBondContact N-OD2 3.33Å; S166-D170 PolarHBondContact O-N 3.25Å
167V97.5Very high96.7Very high0 Ų051.8 Ų51.80%030%0.297CS..THydrogen-bonded Turntrans-57.7-22.9172.5-65.80000113.4W145 W157 Y161 K169 A207 I208 I211W145-V167 HydrophobicContact CH2-CG1 4.41Å; W145-V167 HydrophobicContact CZ2-CG1 4.45Å; W157-V167 HydrophobicContact CB-CG1 3.69Å; W157-V167 HydrophobicContact CB-CG2 4.45Å; W157-V167 HydrophobicContact CD2-CG1 4.12Å; W157-V167 HydrophobicContact CD2-CG2 3.77Å; W157-V167 HydrophobicContact CE3-CG1 4.23Å; W157-V167 HydrophobicContact CE3-CG2 4.3Å; W157-V167 HydrophobicContact CG-CG1 3.94Å; W157-V167 HydrophobicContact CG-CG2 3.84Å; W157-V167 HydrophobicContact CZ2-CG2 4.49Å; Y161-V167 HydrophobicContact CD1-CG1 4.29Å; Y161-V167 HydrophobicContact CD2-CG1 3.49Å; Y161-V167 VanDerWaalsContact CD2-CG1 3.49Å; Y161-V167 HydrophobicContact CE2-CG1 3.79Å; Y161-V167 HydrophobicContact CG-CG1 3.8Å; V167-K169 VanDerWaalsContact C-N 3.33Å; V167-A207 HydrophobicContact CB-CB 4.28Å; V167-A207 PolarHBondContact O-N 3.43Å; V167-A207 VanDerWaalsContact O-N 3.11Å; V167-I208 PolarHBondContact O-N 2.87Å; V167-I211 HydrophobicContact CG1-CD1 4.23Å
168N96.9Very high96.7Very high76 Ų7655.4 Ų55.441%0.40632%0.315SS..THydrogen-bonded Turntrans-84-5.1179.8-64.2-41.7000113.6S166 I208S166-N168 PolarHBondContact O-N 2.84Å; S166-N168 VanDerWaalsContact O-N 3.09Å; S166-N168 PolarHBondContact OG-N 3.06Å; N168-I208 WeakPolarHBondContact OD1-CG2 3.37Å
169K96.1Very high96.5Very high175 Ų17554.9 Ų54.976%0.76131%0.309SS*.THydrogen-bonded Turntrans-133.4-45.9-174.3-64.5-177.3-179.5178.50112.6S166 V167S166-K169 PolarHBondContact O-N 3.43Å; V167-K169 VanDerWaalsContact C-N 3.33Å
170D97.4Very high96.4Very high48 Ų4851 Ų5126%0.25729%0.29SS..SBendtrans-85.6154.1-177.9-62-94.3000110.8Y161 K165 S166 V174 A207Y161-D170 HydrophobicContact CD1-CB 3.95Å; Y161-D170 HydrophobicContact CE1-CB 3.79Å; K165-D170 WeakPolarHBondContact CA-OD2 3.49Å; K165-D170 WeakPolarHBondContact CB-OD2 3.1Å; S166-D170 PolarHBondContact N-OD2 3.33Å; S166-D170 PolarHBondContact O-N 3.25Å; D170-V174 HydrophobicContact CB-CG2 4.29Å; D170-A207 WeakPolarHBondContact O-CB 3.37Å; D170-A207 PolarHBondContact O-N 2.82Å
171S96.9Very high96Very high28 Ų2851 Ų5120%0.19629%0.29CS..BIsolated β-bridgetrans-77.6166.1-176.280.40000113.4Y161 D173 V174 R202Y161-S171 WeakPolarHBondContact CE1-O 3.25Å; Y161-S171 PolarHBondContact OH-O 2.69Å; S171-D173 PolarHBondContact O-N 3.41Å; S171-D173 PolarHBondContact OG-N 2.59Å; S171-V174 PolarHBondContact O-N 2.93Å; S171-R202 WeakPolarHBondContact CB-O 3.3Å; S171-R202 PolarHBondContact OG-O 2.54Å
172I97.1Very high95.5Very high0 Ų053.5 Ų53.50%030%0.304CS..THydrogen-bonded Turntrans-64.2-17.3177.8-164.164.9000113.5F142 Y161 V174 A175 F176 Y201 A207 V210 I211F142-I172 HydrophobicContact CE2-CD1 4.39Å; F142-I172 HydrophobicContact CZ-CD1 4.39Å; Y161-I172 WeakPolarHBondContact OH-CA 3.35Å; I172-V174 PolarHBondContact O-N 3.49Å; I172-A175 HydrophobicContact CD1-CB 3.95Å; I172-A175 WeakPolarHBondContact O-CB 3.46Å; I172-A175 PolarHBondContact O-N 3.01Å; I172-F176 HydrophobicContact CB-CE2 4.47Å; I172-F176 HydrophobicContact CG1-CD1 4.36Å; I172-F176 HydrophobicContact CG1-CE1 4.01Å; I172-F176 HydrophobicContact CG1-CE2 4.2Å; I172-F176 HydrophobicContact CG1-CZ 3.93Å; I172-F176 HydrophobicContact CG2-CD2 4.07Å; I172-F176 HydrophobicContact CG2-CE2 3.57Å; I172-F176 HydrophobicContact CG2-CZ 4.01Å; I172-F176 PolarHBondContact O-N 2.94Å; I172-Y201 HydrophobicContact CG2-CD2 4.18Å; I172-Y201 HydrophobicContact CG2-CE2 3.84Å; I172-A207 HydrophobicContact CB-CB 4.39Å; I172-A207 HydrophobicContact CD1-CB 4.09Å; I172-V210 HydrophobicContact CB-CB 4.16Å; I172-V210 HydrophobicContact CB-CG1 4.29Å; I172-V210 HydrophobicContact CB-CG2 4.02Å; I172-V210 HydrophobicContact CD1-CB 4.32Å; I172-V210 HydrophobicContact CD1-CG1 4.41Å; I172-V210 HydrophobicContact CG1-CB 4.16Å; I172-V210 HydrophobicContact CG1-CG1 3.96Å; I172-V210 HydrophobicContact CG2-CG1 4.36Å; I172-V210 HydrophobicContact CG2-CG2 4.05Å; I172-I211 HydrophobicContact CD1-CD1 4.43Å; I172-I211 HydrophobicContact CD1-CG1 4.08Å
173D96.1Very high95.1Very high36 Ų3655.1 Ų55.119%0.19331%0.306CS..Hα-helixtrans-61.9-24.9178.2-93.3-33.8000112.4S171 F176 S177 R202S171-D173 PolarHBondContact O-N 3.41Å; S171-D173 PolarHBondContact OG-N 2.59Å; D173-F176 PolarHBondContact O-N 3.15Å; D173-S177 VanDerWaalsContact O-CB 3.28Å; D173-S177 WeakPolarHBondContact O-CB 3.39Å; D173-S177 PolarHBondContact O-N 3.31Å; D173-S177 PolarHBondContact O-OG 3.19Å; D173-R202 IonicContact OD1-CZ 2.82Å; D173-R202 IonicContact OD1-NE 3.76Å; D173-R202 PolarHBondContact OD1-NE 3.09Å; D173-R202 VanDerWaalsContact OD1-NE 3.14Å; D173-R202 IonicContact OD1-NH2 3.14Å; D173-R202 PolarHBondContact OD1-NH2 3.46Å; D173-R202 IonicContact OD2-NE 2.9Å; D173-R202 PolarHBondContact OD2-NE 2.97Å; D173-R202 IonicContact OD2-NH2 2.75Å
174V96.8Very high94.5Very high32 Ų3250.9 Ų50.919%0.19428%0.278CS..Hα-helixtrans-62.8-48.5171.7176.20000110.3Y161 K165 D170 S171 I172 S177 H178Y161-V174 HydrophobicContact CD1-CB 4.16Å; Y161-V174 HydrophobicContact CD1-CG1 3.94Å; Y161-V174 HydrophobicContact CD2-CG1 4.47Å; Y161-V174 HydrophobicContact CE1-CB 3.51Å; Y161-V174 HydrophobicContact CE1-CG1 3.78Å; Y161-V174 HydrophobicContact CE1-CG2 3.97Å; Y161-V174 HydrophobicContact CE2-CB 4.39Å; Y161-V174 HydrophobicContact CE2-CG1 4.3Å; Y161-V174 HydrophobicContact CG-CG1 4.26Å; K165-V174 HydrophobicContact CD-CG1 3.88Å; K165-V174 HydrophobicContact CD-CG2 3.96Å; D170-V174 HydrophobicContact CB-CG2 4.29Å; S171-V174 PolarHBondContact O-N 2.93Å; I172-V174 PolarHBondContact O-N 3.49Å; V174-S177 PolarHBondContact O-N 2.49Å; V174-H178 WeakPolarHBondContact O-CB 3.46Å; V174-H178 PolarHBondContact O-N 3.45Å
175A97Very high94Very high0 Ų044.5 Ų44.50%024%0.237CC..Hα-helixtrans-63.1-46.7174.300000111.4F142 W145 V160 Y161 I172 S177 H178 F179F142-A175 HydrophobicContact CD2-CB 4.47Å; F142-A175 HydrophobicContact CE2-CB 3.92Å; W145-A175 HydrophobicContact CE3-CB 4.4Å; W145-A175 HydrophobicContact CH2-CB 3.99Å; W145-A175 HydrophobicContact CZ3-CB 3.6Å; V160-A175 HydrophobicContact CG1-CB 3.98Å; Y161-A175 HydrophobicContact CE2-CB 3.95Å; Y161-A175 PolarHBondContact OH-N 3.39Å; I172-A175 HydrophobicContact CD1-CB 3.95Å; I172-A175 WeakPolarHBondContact O-CB 3.46Å; I172-A175 PolarHBondContact O-N 3.01Å; A175-S177 PolarHBondContact O-N 2.92Å; A175-H178 WeakPolarHBondContact O-CB 3.23Å; A175-H178 PolarHBondContact O-N 3.32Å; A175-H178 VanDerWaalsContact O-N 3.11Å; A175-F179 VanDerWaalsContact O-CD2 3.23Å; A175-F179 WeakPolarHBondContact O-CD2 3.44Å; A175-F179 PolarHBondContact O-N 2.82Å
176F95.7Very high93.6Very high1 Ų141.3 Ų41.30%0.00422%0.223CC..Hα-helixtrans-57.4-40.7179.3-68.6-28.9000112.4F142 I172 D173 G180 V181 K186 V189 Y201F142-F176 HydrophobicContact CE1-CD1 4.19Å; F142-F176 AromaticContact CE1-CE1 3.73Å; F142-F176 HydrophobicContact CE1-CE1 3.73Å; F142-F176 HydrophobicContact CE2-CD1 4.14Å; F142-F176 HydrophobicContact CE2-CE1 4.24Å; F142-F176 AromaticContact CZ-CD1 3.82Å; F142-F176 HydrophobicContact CZ-CD1 3.82Å; F142-F176 AromaticContact CZ-CE1 3.47Å; F142-F176 HydrophobicContact CZ-CE1 3.47Å; F142-F176 VanDerWaalsContact CZ-CE1 3.47Å; I172-F176 HydrophobicContact CB-CE2 4.47Å; I172-F176 HydrophobicContact CG1-CD1 4.36Å; I172-F176 HydrophobicContact CG1-CE1 4.01Å; I172-F176 HydrophobicContact CG1-CE2 4.2Å; I172-F176 HydrophobicContact CG1-CZ 3.93Å; I172-F176 HydrophobicContact CG2-CD2 4.07Å; I172-F176 HydrophobicContact CG2-CE2 3.57Å; I172-F176 HydrophobicContact CG2-CZ 4.01Å; I172-F176 PolarHBondContact O-N 2.94Å; D173-F176 PolarHBondContact O-N 3.15Å; F176-G180 WeakPolarHBondContact O-CA 3.44Å; F176-G180 PolarHBondContact O-N 3.04Å; F176-V181 HydrophobicContact CB-CG2 3.67Å; F176-V181 HydrophobicContact CD1-CG2 3.45Å; F176-V181 VanDerWaalsContact CD1-CG2 3.45Å; F176-V181 HydrophobicContact CE1-CG2 4.27Å; F176-V181 HydrophobicContact CG-CG2 3.8Å; F176-V181 PolarHBondContact O-N 2.85Å; F176-V181 VanDerWaalsContact O-N 3.12Å; F176-K186 HydrophobicContact CB-CD 4.43Å; F176-K186 HydrophobicContact CB-CG 4.48Å; F176-K186 HydrophobicContact CD1-CG 4.36Å; F176-K186 HydrophobicContact CD2-CB 4.45Å; F176-K186 HydrophobicContact CD2-CD 3.81Å; F176-K186 HydrophobicContact CD2-CG 3.68Å; F176-K186 HydrophobicContact CE1-CG 4.47Å; F176-K186 HydrophobicContact CE2-CB 4.12Å; F176-K186 HydrophobicContact CE2-CD 4.27Å; F176-K186 HydrophobicContact CE2-CG 3.82Å; F176-K186 HydrophobicContact CG-CD 4.27Å; F176-K186 HydrophobicContact CG-CG 3.96Å; F176-K186 HydrophobicContact CZ-CB 4.4Å; F176-K186 HydrophobicContact CZ-CG 4.21Å; F176-V189 HydrophobicContact CE1-CB 4.46Å; F176-V189 HydrophobicContact CE1-CG1 4.19Å; F176-V189 HydrophobicContact CZ-CB 4.31Å; F176-V189 HydrophobicContact CZ-CG1 3.99Å; F176-Y201 HydrophobicContact CE2-CE2 4.47Å
177S95.9Very high93.2Very high88 Ų8840.9 Ų40.962%0.61522%0.219SC*.Hα-helixtrans-68.2-43.3176.1-57.60000111.9D173 V174 A175 F179 G180D173-S177 VanDerWaalsContact O-CB 3.28Å; D173-S177 WeakPolarHBondContact O-CB 3.39Å; D173-S177 PolarHBondContact O-N 3.31Å; D173-S177 PolarHBondContact O-OG 3.19Å; V174-S177 PolarHBondContact O-N 2.49Å; A175-S177 PolarHBondContact O-N 2.92Å; S177-F179 PolarHBondContact O-N 3.17Å; S177-G180 PolarHBondContact O-N 2.84Å
178H96.7Very high92.7Very high99 Ų9941.2 Ų41.246%0.45822%0.221SC..Hα-helixtrans-58.9-45.7178.1-177.799.4000112.3V160 V174 A175 G180V160-H178 HydrophobicContact CG1-CB 3.88Å; V174-H178 WeakPolarHBondContact O-CB 3.46Å; V174-H178 PolarHBondContact O-N 3.45Å; A175-H178 WeakPolarHBondContact O-CB 3.23Å; A175-H178 PolarHBondContact O-N 3.32Å; A175-H178 VanDerWaalsContact O-N 3.11Å; H178-G180 VanDerWaalsContact C-N 3.33Å
179F94Very high92.3Very high34 Ų3437.6 Ų37.615%0.14920%0.201CC..Hα-helixtrans-84.5-8.3179-68-77000113.5R138 F142 W145 V160 A175 S177 V181R138-F179 WeakPolarHBondContact CB-O 3.36Å; R138-F179 WeakPolarHBondContact CD-O 3.41Å; R138-F179 WeakPolarHBondContact CG-O 3.22Å; F142-F179 HydrophobicContact CB-CB 3.91Å; F142-F179 HydrophobicContact CB-CD1 4.19Å; F142-F179 HydrophobicContact CB-CD2 4Å; F142-F179 HydrophobicContact CB-CG 3.76Å; F142-F179 AromaticContact CD2-CD2 3.53Å; F142-F179 HydrophobicContact CD2-CD2 3.53Å; F142-F179 AromaticContact CD2-CE2 3.99Å; F142-F179 HydrophobicContact CD2-CE2 3.99Å; F142-F179 HydrophobicContact CD2-CG 4.17Å; F142-F179 HydrophobicContact CG-CD2 4.23Å; F142-F179 HydrophobicContact CG-CG 4.43Å; W145-F179 HydrophobicContact CB-CE1 4.15Å; W145-F179 HydrophobicContact CB-CE2 4.02Å; W145-F179 HydrophobicContact CB-CZ 3.4Å; W145-F179 AromaticContact CD2-CE2 3.69Å; W145-F179 HydrophobicContact CD2-CE2 3.69Å; W145-F179 AromaticContact CD2-CZ 3.86Å; W145-F179 HydrophobicContact CD2-CZ 3.86Å; W145-F179 AromaticContact CE3-CE2 3.61Å; W145-F179 HydrophobicContact CE3-CE2 3.61Å; W145-F179 HydrophobicContact CE3-CZ 4.2Å; W145-F179 AromaticContact CG-CE2 3.86Å; W145-F179 HydrophobicContact CG-CE2 3.86Å; W145-F179 AromaticContact CG-CZ 3.49Å; W145-F179 HydrophobicContact CG-CZ 3.49Å; W145-F179 VanDerWaalsContact CG-CZ 3.49Å; W145-F179 HydrophobicContact CZ3-CE2 4.41Å; V160-F179 HydrophobicContact CG1-CE2 4.24Å; V160-F179 HydrophobicContact CG2-CE2 3.8Å; V160-F179 HydrophobicContact CG2-CZ 3.87Å; A175-F179 VanDerWaalsContact O-CD2 3.23Å; A175-F179 WeakPolarHBondContact O-CD2 3.44Å; A175-F179 PolarHBondContact O-N 2.82Å; S177-F179 PolarHBondContact O-N 3.17Å; F179-V181 VanDerWaalsContact C-N 3.33Å; F179-V181 HydrophobicContact CB-CG1 4.17Å; F179-V181 PolarHBondContact O-N 3.37Å
180G92.9Very high92.1Very high28 Ų2829.2 Ų29.229%0.28917%0.165SC..THydrogen-bonded Turntrans65.130.8178.700000114.3R138 F176 S177 H178R138-G180 WeakPolarHBondContact CD-O 3.48Å; R138-G180 PolarHBondContact NH1-O 2.95Å; F176-G180 WeakPolarHBondContact O-CA 3.44Å; F176-G180 PolarHBondContact O-N 3.04Å; S177-G180 PolarHBondContact O-N 2.84Å; H178-G180 VanDerWaalsContact C-N 3.33Å
181V89.1Confident91.8Very high6 Ų627 Ų274%0.03615%0.153CC..  trans-72.4136.9-179.9-59.10000111R138 F142 F176 F179 T185 K186R138-V181 HydrophobicContact CB-CG1 4.32Å; F142-V181 HydrophobicContact CB-CG1 4.17Å; F142-V181 HydrophobicContact CD1-CG1 4.48Å; F142-V181 HydrophobicContact CG-CG1 4.4Å; F176-V181 HydrophobicContact CB-CG2 3.67Å; F176-V181 HydrophobicContact CD1-CG2 3.45Å; F176-V181 VanDerWaalsContact CD1-CG2 3.45Å; F176-V181 HydrophobicContact CE1-CG2 4.27Å; F176-V181 HydrophobicContact CG-CG2 3.8Å; F176-V181 PolarHBondContact O-N 2.85Å; F176-V181 VanDerWaalsContact O-N 3.12Å; F179-V181 VanDerWaalsContact C-N 3.33Å; F179-V181 HydrophobicContact CB-CG1 4.17Å; F179-V181 PolarHBondContact O-N 3.37Å; V181-T185 HydrophobicContact CB-CG2 3.8Å; V181-T185 HydrophobicContact CG1-CG2 4.07Å; V181-T185 HydrophobicContact CG2-CG2 4.34Å; V181-K186 HydrophobicContact CG2-CG 4.09Å; V181-K186 WeakPolarHBondContact O-CE 3.34Å
182N88.6Confident91.5Very high54 Ų5425.7 Ų25.729%0.28914%0.144SC..  trans-77.1172.4-178.671.210.8000113.7E135 T184 T185 K186E135-N182 WeakPolarHBondContact OE2-CB 3.19Å; E135-N182 PolarHBondContact OE2-N 3.29Å; E135-N182 VanDerWaalsContact OE2-N 3.12Å; E135-N182 PolarHBondContact OE2-ND2 3.19Å; E135-N182 PolarHBondContact OE2-OD1 3.43Å; N182-T184 VanDerWaalsContact C-N 3.34Å; N182-T184 PolarHBondContact O-N 3.42Å; N182-T184 PolarHBondContact OD1-N 2.84Å; N182-T185 WeakPolarHBondContact O-CB 3.28Å; N182-T185 PolarHBondContact O-N 3.19Å; N182-T185 VanDerWaalsContact O-N 3.13Å; N182-T185 WeakPolarHBondContact OD1-CB 3.09Å; N182-T185 PolarHBondContact OD1-N 3.39Å; N182-T185 PolarHBondContact OD1-OG1 2.76Å; N182-K186 WeakPolarHBondContact O-CG 3.4Å; N182-K186 PolarHBondContact O-N 2.95Å
183E87Confident91.2Very high100 Ų10025.8 Ų25.847%0.46715%0.145SC..Hα-helixtrans-60.1-38179.8-65.6-55.6123.500113.3T185 K186 T187 R202E183-T185 VanDerWaalsContact C-N 3.26Å; E183-T185 PolarHBondContact O-N 3.1Å; E183-K186 PolarHBondContact O-N 2.73Å; E183-K186 VanDerWaalsContact O-N 3.11Å; E183-K186 WeakPolarHBondContact OE1-CD 3.41Å; E183-K186 WeakPolarHBondContact OE1-CE 3.37Å; E183-K186 IonicContact OE1-NZ 3.29Å; E183-K186 PolarHBondContact OE1-NZ 3.1Å; E183-T187 PolarHBondContact O-N 3.46Å; E183-T187 PolarHBondContact O-OG1 3.41Å; E183-T187 VanDerWaalsContact O-OG1 3.14Å; E183-R202 IonicContact OE1-NH2 3.91Å; E183-R202 IonicContact OE2-CZ 2.68Å; E183-R202 IonicContact OE2-NH1 2.83Å; E183-R202 PolarHBondContact OE2-NH1 2.88Å; E183-R202 IonicContact OE2-NH2 3.32Å
184T83.7Confident91Very high21 Ų2124.2 Ų24.213%0.12914%0.136CC..Hα-helixtrans-57.1-41.9175.2-64.80000111.5K112 N182 T187 L188K112-T184 PolarHBondContact NZ-OG1 2.87Å; N182-T184 VanDerWaalsContact C-N 3.34Å; N182-T184 PolarHBondContact O-N 3.42Å; N182-T184 PolarHBondContact OD1-N 2.84Å; T184-T187 PolarHBondContact O-N 3.16Å; T184-L188 WeakPolarHBondContact O-CB 3.46Å; T184-L188 PolarHBondContact O-N 2.87Å
185T84.9Confident90.8Very high1 Ų123.2 Ų23.21%0.00613%0.13CC..Hα-helixtrans-68.3-40.7176.8-58.90000111.7L139 V181 N182 E183 T187 L188 V189L139-T185 HydrophobicContact CD1-CG2 3.7Å; V181-T185 HydrophobicContact CB-CG2 3.8Å; V181-T185 HydrophobicContact CG1-CG2 4.07Å; V181-T185 HydrophobicContact CG2-CG2 4.34Å; N182-T185 WeakPolarHBondContact O-CB 3.28Å; N182-T185 PolarHBondContact O-N 3.19Å; N182-T185 VanDerWaalsContact O-N 3.13Å; N182-T185 WeakPolarHBondContact OD1-CB 3.09Å; N182-T185 PolarHBondContact OD1-N 3.39Å; N182-T185 PolarHBondContact OD1-OG1 2.76Å; E183-T185 VanDerWaalsContact C-N 3.26Å; E183-T185 PolarHBondContact O-N 3.1Å; T185-T187 VanDerWaalsContact C-N 3.33Å; T185-T187 PolarHBondContact O-N 3.36Å; T185-L188 PolarHBondContact O-N 3.26Å; T185-V189 HydrophobicContact CG2-CG2 4.41Å; T185-V189 VanDerWaalsContact O-CG2 3.28Å; T185-V189 WeakPolarHBondContact O-CG2 3.39Å; T185-V189 PolarHBondContact O-N 3.45Å
186K89.7Confident90.6Very high22 Ų2225 Ų2510%0.09614%0.137CC..Hα-helixtrans-62.7-40.7176-62.3177.2-161.4177.80111.5F176 V181 N182 E183 V189 G190 Y201F176-K186 HydrophobicContact CB-CD 4.43Å; F176-K186 HydrophobicContact CB-CG 4.48Å; F176-K186 HydrophobicContact CD1-CG 4.36Å; F176-K186 HydrophobicContact CD2-CB 4.45Å; F176-K186 HydrophobicContact CD2-CD 3.81Å; F176-K186 HydrophobicContact CD2-CG 3.68Å; F176-K186 HydrophobicContact CE1-CG 4.47Å; F176-K186 HydrophobicContact CE2-CB 4.12Å; F176-K186 HydrophobicContact CE2-CD 4.27Å; F176-K186 HydrophobicContact CE2-CG 3.82Å; F176-K186 HydrophobicContact CG-CD 4.27Å; F176-K186 HydrophobicContact CG-CG 3.96Å; F176-K186 HydrophobicContact CZ-CB 4.4Å; F176-K186 HydrophobicContact CZ-CG 4.21Å; V181-K186 HydrophobicContact CG2-CG 4.09Å; V181-K186 WeakPolarHBondContact O-CE 3.34Å; N182-K186 WeakPolarHBondContact O-CG 3.4Å; N182-K186 PolarHBondContact O-N 2.95Å; E183-K186 PolarHBondContact O-N 2.73Å; E183-K186 VanDerWaalsContact O-N 3.11Å; E183-K186 WeakPolarHBondContact OE1-CD 3.41Å; E183-K186 WeakPolarHBondContact OE1-CE 3.37Å; E183-K186 IonicContact OE1-NZ 3.29Å; E183-K186 PolarHBondContact OE1-NZ 3.1Å; K186-V189 PolarHBondContact O-N 3.35Å; K186-G190 PolarHBondContact O-N 2.83Å; K186-Y201 PolarHBondContact O-OH 3.3Å; K186-Y201 VanDerWaalsContact O-OH 3.13Å
187T87Confident90.1Very high9 Ų927.8 Ų27.86%0.05515%0.154CC..Hα-helixtrans-64-45.9174.9-60.10000111.3E183 T184 T185 V189 G190 H191 P327E183-T187 PolarHBondContact O-N 3.46Å; E183-T187 PolarHBondContact O-OG1 3.41Å; E183-T187 VanDerWaalsContact O-OG1 3.14Å; T184-T187 PolarHBondContact O-N 3.16Å; T185-T187 VanDerWaalsContact C-N 3.33Å; T185-T187 PolarHBondContact O-N 3.36Å; T187-V189 VanDerWaalsContact C-N 3.35Å; T187-V189 PolarHBondContact O-N 3.24Å; T187-G190 PolarHBondContact O-N 2.86Å; T187-H191 WeakPolarHBondContact O-CB 3.45Å; T187-H191 PolarHBondContact O-N 3.01Å; T187-P327 HydrophobicContact CG2-CB 3.89Å; T187-P327 HydrophobicContact CG2-CG 3.66Å
188L87.5Confident89.6Confident7 Ų726.4 Ų26.44%0.03714%0.14CC..Iπ-helixtrans-56.3-48.6174.7178.572.6000111.4V109 V118 L130 T184 T185 A192 I193V109-L188 HydrophobicContact CB-CD1 4.48Å; V109-L188 HydrophobicContact CG1-CD1 3.66Å; V118-L188 HydrophobicContact CB-CD1 4.41Å; V118-L188 HydrophobicContact CG1-CD1 4.11Å; V118-L188 HydrophobicContact CG2-CD1 4.09Å; L130-L188 HydrophobicContact CD1-CD1 4.49Å; T184-L188 WeakPolarHBondContact O-CB 3.46Å; T184-L188 PolarHBondContact O-N 2.87Å; T185-L188 PolarHBondContact O-N 3.26Å; L188-A192 HydrophobicContact CD1-CB 4.02Å; L188-A192 WeakPolarHBondContact O-CA 3.2Å; L188-A192 VanDerWaalsContact O-CB 3.28Å; L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 2.72Å; L188-I193 HydrophobicContact CG-CD1 4.5Å; L188-I193 PolarHBondContact O-N 2.77Å; L188-I193 VanDerWaalsContact O-N 3.13Å
189V89.2Confident89.2Confident0 Ų023.8 Ų23.80%013%0.129CC..Iπ-helixtrans-63.7-51.8179.7170.60000111F142 F176 T185 K186 T187 I193 C194 M214F142-V189 HydrophobicContact CE1-CG1 4.48Å; F142-V189 HydrophobicContact CE1-CG2 3.97Å; F176-V189 HydrophobicContact CE1-CB 4.46Å; F176-V189 HydrophobicContact CE1-CG1 4.19Å; F176-V189 HydrophobicContact CZ-CB 4.31Å; F176-V189 HydrophobicContact CZ-CG1 3.99Å; T185-V189 HydrophobicContact CG2-CG2 4.41Å; T185-V189 VanDerWaalsContact O-CG2 3.28Å; T185-V189 WeakPolarHBondContact O-CG2 3.39Å; T185-V189 PolarHBondContact O-N 3.45Å; K186-V189 PolarHBondContact O-N 3.35Å; T187-V189 VanDerWaalsContact C-N 3.35Å; T187-V189 PolarHBondContact O-N 3.24Å; V189-I193 HydrophobicContact CG2-CD1 4.44Å; V189-C194 VanDerWaalsContact O-CB 3.28Å; V189-C194 WeakPolarHBondContact O-CB 3.4Å; V189-C194 PolarHBondContact O-N 2.83Å; V189-C194 PolarHBondContact O-SG 2.66Å; V189-C194 VanDerWaalsContact O-SG 3.4Å; V189-M214 HydrophobicContact CG1-CE 4.04Å; V189-M214 HydrophobicContact CG1-CG 4.24Å; V189-M214 HydrophobicContact CG1-SD 3.64Å; V189-M214 HydrophobicContact CG2-CE 4.25Å
190G91.4Very high89Confident0 Ų024.1 Ų24.10%014%0.135CC..Iπ-helixtrans-62.6-54.1-176.500000113K186 T187 C194 L195 Y196 Y201K186-G190 PolarHBondContact O-N 2.83Å; T187-G190 PolarHBondContact O-N 2.86Å; G190-C194 CarbonylContact O-C 3.53Å; G190-C194 WeakPolarHBondContact O-CB 3.38Å; G190-L195 PolarHBondContact O-N 2.79Å; G190-L195 VanDerWaalsContact O-N 3.13Å; G190-Y196 WeakPolarHBondContact O-CB 3.25Å; G190-Y196 PolarHBondContact O-N 3.12Å; G190-Y201 VanDerWaalsContact CA-OH 3.3Å; G190-Y201 WeakPolarHBondContact CA-OH 3.26Å
191H91.3Very high88.9Confident1 Ų123 Ų231%0.00512%0.123CC..Iπ-helixtrans-91.3-38.6-168.5-66.6-94.3000113.3T187 L195 Y196 D199 I325 P327 D336T187-H191 WeakPolarHBondContact O-CB 3.45Å; T187-H191 PolarHBondContact O-N 3.01Å; H191-L195 WeakPolarHBondContact O-CA 3.28Å; H191-Y196 PolarHBondContact ND1-O 3.33Å; H191-D199 IonicContact NE2-OD1 3.76Å; H191-I325 HydrophobicContact CB-CG2 4.41Å; H191-I325 WeakPolarHBondContact O-CD1 3.41Å; H191-P327 HydrophobicContact CB-CG 4.36Å; H191-D336 IonicContact CE1-OD1 2.87Å; H191-D336 IonicContact CE1-OD2 3.66Å; H191-D336 IonicContact CG-OD2 3.79Å; H191-D336 IonicContact ND1-OD1 3.56Å; H191-D336 PolarHBondContact ND1-OD1 3.14Å; H191-D336 IonicContact ND1-OD2 2.95Å; H191-D336 PolarHBondContact ND1-OD2 3.27Å
192A89.7Confident89.1Confident0 Ų024.7 Ų24.70%013%0.128CC..Iπ-helixtrans-96.3-31.4-171.900000114V109 V118 L188V109-A192 HydrophobicContact CB-CB 4.07Å; V109-A192 HydrophobicContact CG2-CB 4.35Å; V118-A192 HydrophobicContact CG1-CB 4.3Å; V118-A192 HydrophobicContact CG2-CB 3.65Å; L188-A192 HydrophobicContact CD1-CB 4.02Å; L188-A192 WeakPolarHBondContact O-CA 3.2Å; L188-A192 VanDerWaalsContact O-CB 3.28Å; L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 2.72Å
193I90.8Very high89.1Confident3 Ų330 Ų302%0.01515%0.151CC..Iπ-helixtrans-95.4-52.3178.6-62.7176.4000110.5V118 L188 V189 M214 Y217V118-I193 HydrophobicContact CG1-CG1 4.07Å; L188-I193 HydrophobicContact CG-CD1 4.5Å; L188-I193 PolarHBondContact O-N 2.77Å; L188-I193 VanDerWaalsContact O-N 3.13Å; V189-I193 HydrophobicContact CG2-CD1 4.44Å; I193-M214 HydrophobicContact CG2-CB 4.28Å; I193-M214 HydrophobicContact CG2-CG 3.99Å; I193-Y217 HydrophobicContact CB-CD2 4.34Å; I193-Y217 HydrophobicContact CB-CG 4.44Å; I193-Y217 HydrophobicContact CG2-CD1 4.06Å; I193-Y217 HydrophobicContact CG2-CD2 4.06Å; I193-Y217 HydrophobicContact CG2-CG 3.72Å; I193-Y217 WeakPolarHBondContact O-CD2 3.32Å
194C92.9Very high89.4Confident2 Ų233.1 Ų33.11%0.01416%0.163CC..SBendtrans-86.2-14.1-176.3-68.70000114.1V189 G190 Y196 K213 M214V189-C194 VanDerWaalsContact O-CB 3.28Å; V189-C194 WeakPolarHBondContact O-CB 3.4Å; V189-C194 PolarHBondContact O-N 2.83Å; V189-C194 PolarHBondContact O-SG 2.66Å; V189-C194 VanDerWaalsContact O-SG 3.4Å; G190-C194 CarbonylContact O-C 3.53Å; G190-C194 WeakPolarHBondContact O-CB 3.38Å; C194-Y196 VanDerWaalsContact C-N 3.26Å; C194-Y196 HydrophobicContact CB-CD2 3.45Å; C194-Y196 VanDerWaalsContact CB-CD2 3.45Å; C194-Y196 HydrophobicContact CB-CE2 3.56Å; C194-Y196 PolarHBondContact O-N 2.72Å; C194-K213 HydrophobicContact CB-CB 4.11Å; C194-K213 HydrophobicContact CB-CD 4.22Å; C194-K213 PolarHBondContact O-NZ 3.29Å; C194-M214 WeakPolarHBondContact SG-CG 3.03Å
195L92.5Very high89.9Confident11 Ų1132.5 Ų32.56%0.05816%0.161CC..  trans59.235.3177.6-51.8172.1000112.9M81 G190 H191 Y229 I325 H414 E416M81-L195 HydrophobicContact CE-CD1 3.64Å; G190-L195 PolarHBondContact O-N 2.79Å; G190-L195 VanDerWaalsContact O-N 3.13Å; H191-L195 WeakPolarHBondContact O-CA 3.28Å; L195-Y229 HydrophobicContact CD1-CE1 4.28Å; L195-Y229 WeakPolarHBondContact CD2-OH 3.36Å; L195-I325 HydrophobicContact CD2-CD1 3.68Å; L195-H414 HydrophobicContact CD1-CB 4.32Å; L195-E416 HydrophobicContact CD1-CG 4.4Å
196Y91.5Very high90.4Very high38 Ų3833.7 Ų33.715%0.14917%0.168CC..  trans-73.8143.3167.6-70.6-71.3000109.9G190 H191 C194 Y201 V210 K213G190-Y196 WeakPolarHBondContact O-CB 3.25Å; G190-Y196 PolarHBondContact O-N 3.12Å; H191-Y196 PolarHBondContact ND1-O 3.33Å; C194-Y196 VanDerWaalsContact C-N 3.26Å; C194-Y196 HydrophobicContact CB-CD2 3.45Å; C194-Y196 VanDerWaalsContact CB-CD2 3.45Å; C194-Y196 HydrophobicContact CB-CE2 3.56Å; C194-Y196 PolarHBondContact O-N 2.72Å; Y196-Y201 HydrophobicContact CD1-CG 4.21Å; Y196-Y201 AromaticContact CD2-CD1 3.75Å; Y196-Y201 HydrophobicContact CD2-CD1 3.75Å; Y196-Y201 AromaticContact CD2-CD2 3.76Å; Y196-Y201 HydrophobicContact CD2-CD2 3.76Å; Y196-Y201 HydrophobicContact CD2-CE1 4.26Å; Y196-Y201 HydrophobicContact CD2-CE2 4.26Å; Y196-Y201 AromaticContact CD2-CG 3.48Å; Y196-Y201 HydrophobicContact CD2-CG 3.48Å; Y196-Y201 VanDerWaalsContact CD2-CG 3.48Å; Y196-Y201 HydrophobicContact CE1-CG 4.38Å; Y196-Y201 HydrophobicContact CE2-CD1 4.4Å; Y196-Y201 AromaticContact CE2-CD2 3.64Å; Y196-Y201 HydrophobicContact CE2-CD2 3.64Å; Y196-Y201 HydrophobicContact CE2-CE2 4.34Å; Y196-Y201 AromaticContact CE2-CG 3.68Å; Y196-Y201 HydrophobicContact CE2-CG 3.68Å; Y196-Y201 AromaticContact CG-CD1 3.82Å; Y196-Y201 HydrophobicContact CG-CD1 3.82Å; Y196-Y201 HydrophobicContact CG-CD2 4.49Å; Y196-Y201 AromaticContact CG-CG 3.77Å; Y196-Y201 HydrophobicContact CG-CG 3.77Å; Y196-V210 HydrophobicContact CE2-CG1 4.39Å; Y196-V210 HydrophobicContact CE2-CG2 4.16Å; Y196-K213 HydrophobicContact CE1-CD 4.31Å; Y196-K213 HydrophobicContact CE2-CD 3.89Å
197T86Confident90.8Very high60 Ų6032.6 Ų32.637%0.36816%0.164SC..SBendtrans-86.6-13.9-176.956.10000113.5Y338T197-Y338 WeakPolarHBondContact CG2-OH 3.27Å
198D84.9Confident91.3Very high59 Ų5933.2 Ų33.232%0.31617%0.166SC..SBendtrans-156.5170.5179.964.763.5000110.7S200 Y201D198-S200 VanDerWaalsContact C-N 3.29Å; D198-S200 PolarHBondContact O-N 2.9Å; D198-S200 WeakPolarHBondContact OD1-CA 3.3Å; D198-S200 WeakPolarHBondContact OD1-CB 3.3Å; D198-S200 PolarHBondContact OD1-N 2.89Å; D198-S200 PolarHBondContact OD1-OG 3.5Å; D198-Y201 WeakPolarHBondContact O-CD1 3.48Å
199D88.1Confident91.8Very high44 Ų4437.8 Ų37.824%0.23519%0.187CC..THydrogen-bonded Turntrans-78.7-0.8-176.4-76.1-50.2000114.7H191 Y201 R202H191-D199 IonicContact NE2-OD1 3.76Å; D199-Y201 PolarHBondContact O-N 2.85Å; D199-Y201 VanDerWaalsContact O-N 3.16Å; D199-R202 WeakPolarHBondContact O-CB 3.37Å; D199-R202 WeakPolarHBondContact O-CG 3.46Å; D199-R202 PolarHBondContact O-N 2.87Å; D199-R202 VanDerWaalsContact O-N 3.15Å
200S90Very high92.2Very high40 Ų4037.8 Ų37.828%0.2819%0.187SC..THydrogen-bonded Turntrans-67.5-18.7-17475.10000113.7D198 R202 Q203 K204D198-S200 VanDerWaalsContact C-N 3.29Å; D198-S200 PolarHBondContact O-N 2.9Å; D198-S200 WeakPolarHBondContact OD1-CA 3.3Å; D198-S200 WeakPolarHBondContact OD1-CB 3.3Å; D198-S200 PolarHBondContact OD1-N 2.89Å; D198-S200 PolarHBondContact OD1-OG 3.5Å; S200-R202 PolarHBondContact O-N 3.23Å; S200-R202 VanDerWaalsContact O-N 3.17Å; S200-Q203 PolarHBondContact O-N 2.93Å; S200-Q203 VanDerWaalsContact O-N 3.11Å; S200-K204 WeakPolarHBondContact O-CB 3.31Å; S200-K204 PolarHBondContact O-N 3.09Å
201Y92.1Very high92.4Very high5 Ų537.8 Ų37.82%0.0219%0.187CC..Hα-helixtrans-55.1-31.6172.779.2-86.2000112.4I172 F176 K186 G190 Y196 D198 D199 Q203 A205 V210I172-Y201 HydrophobicContact CG2-CD2 4.18Å; I172-Y201 HydrophobicContact CG2-CE2 3.84Å; F176-Y201 HydrophobicContact CE2-CE2 4.47Å; K186-Y201 PolarHBondContact O-OH 3.3Å; K186-Y201 VanDerWaalsContact O-OH 3.13Å; G190-Y201 VanDerWaalsContact CA-OH 3.3Å; G190-Y201 WeakPolarHBondContact CA-OH 3.26Å; Y196-Y201 HydrophobicContact CD1-CG 4.21Å; Y196-Y201 AromaticContact CD2-CD1 3.75Å; Y196-Y201 HydrophobicContact CD2-CD1 3.75Å; Y196-Y201 AromaticContact CD2-CD2 3.76Å; Y196-Y201 HydrophobicContact CD2-CD2 3.76Å; Y196-Y201 HydrophobicContact CD2-CE1 4.26Å; Y196-Y201 HydrophobicContact CD2-CE2 4.26Å; Y196-Y201 AromaticContact CD2-CG 3.48Å; Y196-Y201 HydrophobicContact CD2-CG 3.48Å; Y196-Y201 VanDerWaalsContact CD2-CG 3.48Å; Y196-Y201 HydrophobicContact CE1-CG 4.38Å; Y196-Y201 HydrophobicContact CE2-CD1 4.4Å; Y196-Y201 AromaticContact CE2-CD2 3.64Å; Y196-Y201 HydrophobicContact CE2-CD2 3.64Å; Y196-Y201 HydrophobicContact CE2-CE2 4.34Å; Y196-Y201 AromaticContact CE2-CG 3.68Å; Y196-Y201 HydrophobicContact CE2-CG 3.68Å; Y196-Y201 AromaticContact CG-CD1 3.82Å; Y196-Y201 HydrophobicContact CG-CD1 3.82Å; Y196-Y201 HydrophobicContact CG-CD2 4.49Å; Y196-Y201 AromaticContact CG-CG 3.77Å; Y196-Y201 HydrophobicContact CG-CG 3.77Å; D198-Y201 WeakPolarHBondContact O-CD1 3.48Å; D199-Y201 PolarHBondContact O-N 2.85Å; D199-Y201 VanDerWaalsContact O-N 3.16Å; Y201-Q203 PolarHBondContact O-N 3.46Å; Y201-A205 WeakPolarHBondContact O-CB 3.36Å; Y201-A205 PolarHBondContact O-N 3.1Å; Y201-V210 HydrophobicContact CD2-CG1 4.37Å; Y201-V210 HydrophobicContact CD2-CG2 3.78Å; Y201-V210 HydrophobicContact CE2-CG1 4.19Å; Y201-V210 HydrophobicContact CE2-CG2 4.34Å
202R92.5Very high92.7Very high41 Ų4140.4 Ų40.416%0.15521%0.206CC..Hα-helixtrans-64.6-20.3-179-64.9174.258.3180-0.7113.7S171 D173 E183 D199 S200S171-R202 WeakPolarHBondContact CB-O 3.3Å; S171-R202 PolarHBondContact OG-O 2.54Å; D173-R202 IonicContact OD1-CZ 2.82Å; D173-R202 IonicContact OD1-NE 3.76Å; D173-R202 PolarHBondContact OD1-NE 3.09Å; D173-R202 VanDerWaalsContact OD1-NE 3.14Å; D173-R202 IonicContact OD1-NH2 3.14Å; D173-R202 PolarHBondContact OD1-NH2 3.46Å; D173-R202 IonicContact OD2-NE 2.9Å; D173-R202 PolarHBondContact OD2-NE 2.97Å; D173-R202 IonicContact OD2-NH2 2.75Å; E183-R202 IonicContact OE1-NH2 3.91Å; E183-R202 IonicContact OE2-CZ 2.68Å; E183-R202 IonicContact OE2-NH1 2.83Å; E183-R202 PolarHBondContact OE2-NH1 2.88Å; E183-R202 IonicContact OE2-NH2 3.32Å; D199-R202 WeakPolarHBondContact O-CB 3.37Å; D199-R202 WeakPolarHBondContact O-CG 3.46Å; D199-R202 PolarHBondContact O-N 2.87Å; D199-R202 VanDerWaalsContact O-N 3.15Å; S200-R202 PolarHBondContact O-N 3.23Å; S200-R202 VanDerWaalsContact O-N 3.17Å
203Q89.6Confident92.9Very high166 Ų16643.3 Ų43.378%0.77622%0.218SC*.Hα-helixtrans-113.9-34.2-179.9-63.11786.700112.4S200 Y201S200-Q203 PolarHBondContact O-N 2.93Å; S200-Q203 VanDerWaalsContact O-N 3.11Å; Y201-Q203 PolarHBondContact O-N 3.46Å
204K91.3Very high93.1Very high165 Ų16543.2 Ų43.272%0.71722%0.218SC*.Hα-helixtrans-95.3-31.8-171.1-64.1179.3-178.2171.30113.9S200S200-K204 WeakPolarHBondContact O-CB 3.31Å; S200-K204 PolarHBondContact O-N 3.09Å
205A94.4Very high93.1Very high9 Ų944.9 Ų44.97%0.07423%0.225CC..SBendtrans-90.7134.6-176.700000110.3Y201 V210Y201-A205 WeakPolarHBondContact O-CB 3.36Å; Y201-A205 PolarHBondContact O-N 3.1Å; A205-V210 HydrophobicContact CB-CG2 4.38Å
206P97Very high93.2Very high25 Ų2545.7 Ų45.716%0.16223%0.23CC..BIsolated β-bridgetrans-62.9147167.229.4-34.4000109.5I208 E209P206-I208 HydrophobicContact CB-CG2 4.23Å; P206-I208 HydrophobicContact CG-CG2 4.22Å; P206-I208 PolarHBondContact O-N 3.34Å; P206-E209 WeakPolarHBondContact CD-OE1 3.44Å; P206-E209 HydrophobicContact CG-CG 3.93Å; P206-E209 PolarHBondContact O-N 3.27Å
207A97.8Very high93.2Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-54.5-32.9-175.100000112.7Y161 V167 D170 I172 E209 V210 I211Y161-A207 HydrophobicContact CE1-CB 4.03Å; Y161-A207 HydrophobicContact CE2-CB 4.42Å; Y161-A207 VanDerWaalsContact OH-CB 3.25Å; Y161-A207 WeakPolarHBondContact OH-CB 3.27Å; V167-A207 HydrophobicContact CB-CB 4.28Å; V167-A207 PolarHBondContact O-N 3.43Å; V167-A207 VanDerWaalsContact O-N 3.11Å; D170-A207 WeakPolarHBondContact O-CB 3.37Å; D170-A207 PolarHBondContact O-N 2.82Å; I172-A207 HydrophobicContact CB-CB 4.39Å; I172-A207 HydrophobicContact CD1-CB 4.09Å; A207-E209 VanDerWaalsContact C-N 3.28Å; A207-E209 PolarHBondContact O-N 3.34Å; A207-V210 PolarHBondContact O-N 3.26Å; A207-V210 VanDerWaalsContact O-N 3.17Å; A207-I211 HydrophobicContact CB-CD1 4.19Å; A207-I211 WeakPolarHBondContact O-CB 3.37Å; A207-I211 WeakPolarHBondContact O-CD1 3.35Å; A207-I211 VanDerWaalsContact O-CG1 3.22Å; A207-I211 WeakPolarHBondContact O-CG1 3.45Å; A207-I211 PolarHBondContact O-N 3.11Å
208I97.8Very high93.4Very high22 Ų2241.6 Ų41.611%0.11321%0.207CC..Hα-helixtrans-61.5-32.6179.9-168.354.8000113.5V149 P151 V167 N168 P206 I211 S212V149-I208 HydrophobicContact CG1-CD1 4.44Å; P151-I208 HydrophobicContact CB-CD1 3.68Å; P151-I208 HydrophobicContact CB-CG1 3.98Å; P151-I208 HydrophobicContact CG-CD1 3.83Å; P151-I208 HydrophobicContact CG-CG1 4.29Å; V167-I208 PolarHBondContact O-N 2.87Å; N168-I208 WeakPolarHBondContact OD1-CG2 3.37Å; P206-I208 HydrophobicContact CB-CG2 4.23Å; P206-I208 HydrophobicContact CG-CG2 4.22Å; P206-I208 PolarHBondContact O-N 3.34Å; I208-I211 HydrophobicContact CD1-CG2 4.36Å; I208-S212 VanDerWaalsContact O-CB 3.25Å; I208-S212 WeakPolarHBondContact O-CB 3.4Å; I208-S212 PolarHBondContact O-N 3.23Å; I208-S212 PolarHBondContact O-OG 3.37Å
209E96.9Very high93.6Very high103 Ų10345.1 Ų45.148%0.48122%0.216SC..Hα-helixtrans-67.8-42176.1-75.3179.1-157.100111.1P206 A207 S212 K213P206-E209 WeakPolarHBondContact CD-OE1 3.44Å; P206-E209 HydrophobicContact CG-CG 3.93Å; P206-E209 PolarHBondContact O-N 3.27Å; A207-E209 VanDerWaalsContact C-N 3.28Å; A207-E209 PolarHBondContact O-N 3.34Å; E209-S212 PolarHBondContact O-N 3.33Å; E209-K213 PolarHBondContact O-N 3.21Å; E209-K213 VanDerWaalsContact O-N 3.08Å
210V97Very high93.8Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-66.4-47.2177.4-170.50000110I172 Y196 Y201 A205 A207 S212 K213 M214I172-V210 HydrophobicContact CB-CB 4.16Å; I172-V210 HydrophobicContact CB-CG1 4.29Å; I172-V210 HydrophobicContact CB-CG2 4.02Å; I172-V210 HydrophobicContact CD1-CB 4.32Å; I172-V210 HydrophobicContact CD1-CG1 4.41Å; I172-V210 HydrophobicContact CG1-CB 4.16Å; I172-V210 HydrophobicContact CG1-CG1 3.96Å; I172-V210 HydrophobicContact CG2-CG1 4.36Å; I172-V210 HydrophobicContact CG2-CG2 4.05Å; Y196-V210 HydrophobicContact CE2-CG1 4.39Å; Y196-V210 HydrophobicContact CE2-CG2 4.16Å; Y201-V210 HydrophobicContact CD2-CG1 4.37Å; Y201-V210 HydrophobicContact CD2-CG2 3.78Å; Y201-V210 HydrophobicContact CE2-CG1 4.19Å; Y201-V210 HydrophobicContact CE2-CG2 4.34Å; A205-V210 HydrophobicContact CB-CG2 4.38Å; A207-V210 PolarHBondContact O-N 3.26Å; A207-V210 VanDerWaalsContact O-N 3.17Å; V210-S212 VanDerWaalsContact C-N 3.33Å; V210-S212 PolarHBondContact O-N 3.15Å; V210-K213 PolarHBondContact O-N 3.41Å; V210-M214 HydrophobicContact CG1-SD 4.45Å; V210-M214 WeakPolarHBondContact O-CG 3.46Å; V210-M214 PolarHBondContact O-N 2.78Å
211I97Very high93.8Very high0 Ų041.2 Ų41.20%019%0.192CC..Hα-helixtrans-57.3-46.8176.3-71162.6000110.5W145 V146 V149 V167 I172 A207 I208 K213 M214 Q215W145-I211 HydrophobicContact CH2-CD1 3.72Å; W145-I211 HydrophobicContact CZ3-CD1 4.04Å; W145-I211 HydrophobicContact CZ3-CG1 4.44Å; V146-I211 HydrophobicContact CG1-CG2 4.21Å; V146-I211 HydrophobicContact CG2-CG1 4.41Å; V149-I211 HydrophobicContact CB-CG2 3.97Å; V149-I211 HydrophobicContact CG1-CD1 4.21Å; V149-I211 HydrophobicContact CG1-CG2 3.99Å; V149-I211 HydrophobicContact CG2-CD1 4.38Å; V167-I211 HydrophobicContact CG1-CD1 4.23Å; I172-I211 HydrophobicContact CD1-CD1 4.43Å; I172-I211 HydrophobicContact CD1-CG1 4.08Å; A207-I211 HydrophobicContact CB-CD1 4.19Å; A207-I211 WeakPolarHBondContact O-CB 3.37Å; A207-I211 WeakPolarHBondContact O-CD1 3.35Å; A207-I211 VanDerWaalsContact O-CG1 3.22Å; A207-I211 WeakPolarHBondContact O-CG1 3.45Å; A207-I211 PolarHBondContact O-N 3.11Å; I208-I211 HydrophobicContact CD1-CG2 4.36Å; I211-K213 VanDerWaalsContact C-N 3.33Å; I211-K213 PolarHBondContact O-N 3.05Å; I211-M214 WeakPolarHBondContact O-CB 3.5Å; I211-M214 PolarHBondContact O-N 3.25Å; I211-M214 VanDerWaalsContact O-N 3.17Å; I211-Q215 HydrophobicContact CG2-CG 4.34Å; I211-Q215 WeakPolarHBondContact O-CG 3.3Å; I211-Q215 PolarHBondContact O-N 3.43Å
212S96.4Very high93.5Very high55 Ų5546.9 Ų46.939%0.38522%0.223SC..Hα-helixtrans-62.1-39.3179.8-620000112.3I208 E209 V210 L216I208-S212 VanDerWaalsContact O-CB 3.25Å; I208-S212 WeakPolarHBondContact O-CB 3.4Å; I208-S212 PolarHBondContact O-N 3.23Å; I208-S212 PolarHBondContact O-OG 3.37Å; E209-S212 PolarHBondContact O-N 3.33Å; V210-S212 VanDerWaalsContact C-N 3.33Å; V210-S212 PolarHBondContact O-N 3.15Å; S212-L216 VanDerWaalsContact O-CB 3.32Å; S212-L216 WeakPolarHBondContact O-CB 3.47Å; S212-L216 PolarHBondContact O-N 2.93Å
213K95.4Very high93.1Very high62 Ų6247.9 Ų47.927%0.2723%0.227SC..Hα-helixtrans-65.2-42.2174.1-81.4170.1160.6-76.60112.1C194 Y196 E209 V210 I211 L216 Y217C194-K213 HydrophobicContact CB-CB 4.11Å; C194-K213 HydrophobicContact CB-CD 4.22Å; C194-K213 PolarHBondContact O-NZ 3.29Å; Y196-K213 HydrophobicContact CE1-CD 4.31Å; Y196-K213 HydrophobicContact CE2-CD 3.89Å; E209-K213 PolarHBondContact O-N 3.21Å; E209-K213 VanDerWaalsContact O-N 3.08Å; V210-K213 PolarHBondContact O-N 3.41Å; I211-K213 VanDerWaalsContact C-N 3.33Å; I211-K213 PolarHBondContact O-N 3.05Å; K213-L216 PolarHBondContact O-N 3.16Å; K213-Y217 PolarHBondContact O-N 3.24Å
214M93.9Very high92.7Very high0 Ų042.5 Ų42.50%020%0.201CC..Hα-helixtrans-63.1-47.2175-65.5177.170.300111.5F142 L143 V146 V189 I193 C194 V210 I211 L216 Y217 Y218F142-M214 HydrophobicContact CD1-CE 4.34Å; F142-M214 HydrophobicContact CE1-CE 3.53Å; F142-M214 HydrophobicContact CE1-SD 4.1Å; F142-M214 HydrophobicContact CZ-CE 3.95Å; F142-M214 HydrophobicContact CZ-SD 3.95Å; L143-M214 HydrophobicContact CD2-CE 3.36Å; V146-M214 HydrophobicContact CB-CE 4.27Å; V146-M214 HydrophobicContact CG1-CB 3.64Å; V146-M214 HydrophobicContact CG1-CE 3.94Å; V146-M214 HydrophobicContact CG1-CG 4.36Å; V146-M214 HydrophobicContact CG1-SD 3.87Å; V146-M214 HydrophobicContact CG2-CE 3.94Å; V146-M214 HydrophobicContact CG2-SD 3.95Å; V189-M214 HydrophobicContact CG1-CE 4.04Å; V189-M214 HydrophobicContact CG1-CG 4.24Å; V189-M214 HydrophobicContact CG1-SD 3.64Å; V189-M214 HydrophobicContact CG2-CE 4.25Å; I193-M214 HydrophobicContact CG2-CB 4.28Å; I193-M214 HydrophobicContact CG2-CG 3.99Å; C194-M214 WeakPolarHBondContact SG-CG 3.03Å; V210-M214 HydrophobicContact CG1-SD 4.45Å; V210-M214 WeakPolarHBondContact O-CG 3.46Å; V210-M214 PolarHBondContact O-N 2.78Å; I211-M214 WeakPolarHBondContact O-CB 3.5Å; I211-M214 PolarHBondContact O-N 3.25Å; I211-M214 VanDerWaalsContact O-N 3.17Å; M214-L216 VanDerWaalsContact C-N 3.32Å; M214-L216 PolarHBondContact O-N 3.28Å; M214-Y217 WeakPolarHBondContact O-CB 3.47Å; M214-Y217 PolarHBondContact O-N 3.29Å; M214-Y218 WeakPolarHBondContact O-CD2 3.19Å; M214-Y218 PolarHBondContact O-N 3.41Å
215Q94Very high91.8Very high37 Ų3737.1 Ų37.117%0.17319%0.192CC..Hα-helixtrans-59.6-43176.6-71.2175.2-13.700111.3V146 V149 I211 Y217 Y218 R219V146-Q215 HydrophobicContact CG1-CG 4.38Å; V146-Q215 PolarHBondContact O-NE2 3.35Å; V149-Q215 PolarHBondContact O-NE2 2.72Å; I211-Q215 HydrophobicContact CG2-CG 4.34Å; I211-Q215 WeakPolarHBondContact O-CG 3.3Å; I211-Q215 PolarHBondContact O-N 3.43Å; Q215-Y217 VanDerWaalsContact C-N 3.35Å; Q215-Y217 PolarHBondContact O-N 3.09Å; Q215-Y218 PolarHBondContact O-N 2.64Å; Q215-R219 WeakPolarHBondContact O-CB 3.17Å; Q215-R219 WeakPolarHBondContact O-CG 3.15Å; Q215-R219 PolarHBondContact O-N 3.34Å
216L93.1Very high91.2Very high29 Ų2941.5 Ų41.515%0.15221%0.21CC..Hα-helixtrans-58.1-45.5174.1173.562.7000112.1M81 D83 S212 K213 M214 R219 S220M81-L216 HydrophobicContact CG-CD1 4.25Å; M81-L216 HydrophobicContact CG-CD2 4.1Å; M81-L216 HydrophobicContact CG-CG 3.96Å; D83-L216 VanDerWaalsContact C-CD1 3.48Å; D83-L216 HydrophobicContact CB-CD1 3.95Å; D83-L216 WeakPolarHBondContact O-CD1 3.17Å; S212-L216 VanDerWaalsContact O-CB 3.32Å; S212-L216 WeakPolarHBondContact O-CB 3.47Å; S212-L216 PolarHBondContact O-N 2.93Å; K213-L216 PolarHBondContact O-N 3.16Å; M214-L216 VanDerWaalsContact C-N 3.32Å; M214-L216 PolarHBondContact O-N 3.28Å; L216-R219 PolarHBondContact O-N 2.93Å; L216-S220 WeakPolarHBondContact O-CB 3.23Å; L216-S220 PolarHBondContact O-N 2.96Å; L216-S220 PolarHBondContact O-OG 2.63Å
217Y92.1Very high90.8Very high1 Ų140.4 Ų40.40%0.00420%0.202CC..Hα-helixtrans-57.3-51.9176.4-176.7-80.3000111M81 V118 I193 K213 M214 Q215 S220 V221 P228M81-Y217 HydrophobicContact CE-CD2 4.38Å; V118-Y217 VanDerWaalsContact CG1-OH 3.24Å; V118-Y217 WeakPolarHBondContact CG1-OH 3.31Å; I193-Y217 HydrophobicContact CB-CD2 4.34Å; I193-Y217 HydrophobicContact CB-CG 4.44Å; I193-Y217 HydrophobicContact CG2-CD1 4.06Å; I193-Y217 HydrophobicContact CG2-CD2 4.06Å; I193-Y217 HydrophobicContact CG2-CG 3.72Å; I193-Y217 WeakPolarHBondContact O-CD2 3.32Å; K213-Y217 PolarHBondContact O-N 3.24Å; M214-Y217 WeakPolarHBondContact O-CB 3.47Å; M214-Y217 PolarHBondContact O-N 3.29Å; Q215-Y217 VanDerWaalsContact C-N 3.35Å; Q215-Y217 PolarHBondContact O-N 3.09Å; Y217-S220 WeakPolarHBondContact O-CB 3.38Å; Y217-S220 PolarHBondContact O-N 2.93Å; Y217-S220 VanDerWaalsContact O-N 3.14Å; Y217-V221 HydrophobicContact CD1-CG2 3.98Å; Y217-V221 HydrophobicContact CE1-CG2 3.64Å; Y217-V221 PolarHBondContact O-N 2.89Å; Y217-P228 HydrophobicContact CD2-CB 4.32Å; Y217-P228 HydrophobicContact CD2-CG 3.81Å; Y217-P228 HydrophobicContact CE1-CG 4.43Å; Y217-P228 HydrophobicContact CE2-CB 4.41Å; Y217-P228 HydrophobicContact CE2-CG 3.5Å; Y217-P228 VanDerWaalsContact CE2-CG 3.5Å; Y217-P228 HydrophobicContact CG-CG 4.41Å
218Y89.8Confident90.6Very high11 Ų1140.4 Ų40.44%0.04320%0.202CC..Hα-helixtrans-68.8-36.6-178.1-72.8-68000113.6L143 L147 M214 Q215 S220 V221 N222L143-Y218 WeakPolarHBondContact CD1-OH 3.44Å; L143-Y218 HydrophobicContact CD2-CE2 3.83Å; L143-Y218 WeakPolarHBondContact CD2-OH 3.3Å; L147-Y218 HydrophobicContact CD2-CD2 3.87Å; L147-Y218 HydrophobicContact CD2-CG 4.05Å; M214-Y218 WeakPolarHBondContact O-CD2 3.19Å; M214-Y218 PolarHBondContact O-N 3.41Å; Q215-Y218 PolarHBondContact O-N 2.64Å; Y218-S220 VanDerWaalsContact C-N 3.27Å; Y218-S220 PolarHBondContact O-N 3.34Å; Y218-V221 PolarHBondContact O-N 3.32Å; Y218-N222 WeakPolarHBondContact O-CB 3.45Å; Y218-N222 PolarHBondContact O-N 3.27Å; Y218-N222 PolarHBondContact O-ND2 3.36Å
219R90.8Very high90.5Very high132 Ų13239.3 Ų39.350%0.49820%0.197SC..Hα-helixtrans-59.2-41.9170.3-73.3-169.3-50.5-155.9-4.2111.1D83 Q215 L216 N222 R223D83-R219 HydrophobicContact CB-CB 4.36Å; D83-R219 IonicContact OD2-CZ 2.72Å; D83-R219 VanDerWaalsContact OD2-CZ 3.25Å; D83-R219 IonicContact OD2-NE 3.74Å; D83-R219 PolarHBondContact OD2-NE 2.92Å; D83-R219 IonicContact OD2-NH2 2.93Å; D83-R219 PolarHBondContact OD2-NH2 3.23Å; Q215-R219 WeakPolarHBondContact O-CB 3.17Å; Q215-R219 WeakPolarHBondContact O-CG 3.15Å; Q215-R219 PolarHBondContact O-N 3.34Å; L216-R219 PolarHBondContact O-N 2.93Å; R219-N222 PolarHBondContact O-N 2.84Å; R219-R223 WeakPolarHBondContact O-CB 3.3Å; R219-R223 PolarHBondContact O-N 2.82Å
220S92.1Very high90.4Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-65.8-42.5178.3-58.20000112M81 D83 L216 Y217 Y218 R223 F224 P228M81-S220 WeakPolarHBondContact CG-OG 3.34Å; M81-S220 PolarHBondContact SD-OG 3.41Å; D83-S220 WeakPolarHBondContact CB-OG 3.41Å; D83-S220 PolarHBondContact N-OG 3Å; L216-S220 WeakPolarHBondContact O-CB 3.23Å; L216-S220 PolarHBondContact O-N 2.96Å; L216-S220 PolarHBondContact O-OG 2.63Å; Y217-S220 WeakPolarHBondContact O-CB 3.38Å; Y217-S220 PolarHBondContact O-N 2.93Å; Y217-S220 VanDerWaalsContact O-N 3.14Å; Y218-S220 VanDerWaalsContact C-N 3.27Å; Y218-S220 PolarHBondContact O-N 3.34Å; S220-R223 PolarHBondContact O-N 3.49Å; S220-F224 PolarHBondContact O-N 3.02Å; S220-P228 VanDerWaalsContact CB-CB 3.44Å
221V89.3Confident90.4Very high3 Ų334.5 Ų34.52%0.01817%0.174CC..Hα-helixtrans-63-50.4173.3178.50000111.1S120 Y217 Y218 R223 F224 G225 P228S120-V221 WeakPolarHBondContact O-CG1 3.4Å; Y217-V221 HydrophobicContact CD1-CG2 3.98Å; Y217-V221 HydrophobicContact CE1-CG2 3.64Å; Y217-V221 PolarHBondContact O-N 2.89Å; Y218-V221 PolarHBondContact O-N 3.32Å; V221-R223 PolarHBondContact O-N 3.05Å; V221-F224 PolarHBondContact O-N 2.86Å; V221-G225 WeakPolarHBondContact O-CA 3.42Å; V221-G225 PolarHBondContact O-N 3.1Å; V221-P228 HydrophobicContact CG2-CB 3.87Å; V221-P228 HydrophobicContact CG2-CG 4.33Å
222N86.4Confident90.3Very high123 Ų12334.5 Ų34.566%0.65817%0.174SC*.Hα-helixtrans-59.4-24.3-175.7-73.3-22.2000112.7Y218 R219Y218-N222 WeakPolarHBondContact O-CB 3.45Å; Y218-N222 PolarHBondContact O-N 3.27Å; Y218-N222 PolarHBondContact O-ND2 3.36Å; R219-N222 PolarHBondContact O-N 2.84Å
223R83.6Confident90.3Very high63 Ų6332.7 Ų32.724%0.23816%0.16CC..Hα-helixtrans-77.2-37177.8-163.7171-179.9159.91.7113.3D83 R219 S220 V221 N442 E444D83-R223 IonicContact OD1-NH1 2.77Å; D83-R223 PolarHBondContact OD1-NH1 3.2Å; R219-R223 WeakPolarHBondContact O-CB 3.3Å; R219-R223 PolarHBondContact O-N 2.82Å; S220-R223 PolarHBondContact O-N 3.49Å; V221-R223 PolarHBondContact O-N 3.05Å; R223-N442 PolarHBondContact NH1-OD1 3.44Å; R223-N442 PolarHBondContact NH2-OD1 3.41Å; R223-E444 WeakPolarHBondContact CG-OE1 3.22Å; R223-E444 IonicContact CZ-OE1 3.5Å; R223-E444 IonicContact CZ-OE2 3.31Å; R223-E444 IonicContact NE-OE1 3.53Å; R223-E444 PolarHBondContact NE-OE1 2.8Å; R223-E444 IonicContact NE-OE2 2.89Å; R223-E444 PolarHBondContact NE-OE2 2.7Å; R223-E444 IonicContact NH2-OE1 2.69Å; R223-E444 IonicContact NH2-OE2 3.25Å; R223-E444 PolarHBondContact NH2-OE2 3.11Å
224F81.2Confident90.3Very high53 Ų5335.3 Ų35.323%0.23217%0.169CC..Hα-helixtrans-123.20.9-172.5-68-81.1000115.6A82 S220 V221 K226 L230 L443A82-F224 HydrophobicContact CB-CD2 3.32Å; A82-F224 HydrophobicContact CB-CE2 3.49Å; A82-F224 VanDerWaalsContact CB-CE2 3.49Å; A82-F224 HydrophobicContact CB-CG 4.42Å; S220-F224 PolarHBondContact O-N 3.02Å; V221-F224 PolarHBondContact O-N 2.86Å; F224-K226 PolarHBondContact O-N 3.28Å; F224-K226 VanDerWaalsContact O-N 3.08Å; F224-L230 HydrophobicContact CD1-CD2 3.81Å; F224-L230 HydrophobicContact CD2-CD2 4.06Å; F224-L230 HydrophobicContact CE1-CD2 4Å; F224-L230 HydrophobicContact CE2-CD1 4.01Å; F224-L230 HydrophobicContact CE2-CD2 4.24Å; F224-L230 HydrophobicContact CG-CD2 3.85Å; F224-L230 HydrophobicContact CZ-CD1 4.02Å; F224-L230 HydrophobicContact CZ-CD2 4.21Å; F224-L443 HydrophobicContact CZ-CD2 3.94Å
225G72.6Confident90.4Very high52 Ų5235.3 Ų35.354%0.53617%0.169SC..SBendtrans84.7-43.7161.800000117.3V221V221-G225 WeakPolarHBondContact O-CA 3.42Å; V221-G225 PolarHBondContact O-N 3.1Å
226K80.9Confident90.4Very high101 Ų10133.8 Ų33.844%0.43916%0.162SC..SBendtrans-99.9-47.5-171.6-60.6-171.8177.6-177.80114E105 S120 F224E105-K226 HydrophobicContact CB-CD 4.33Å; E105-K226 VanDerWaalsContact O-CB 3.25Å; E105-K226 WeakPolarHBondContact O-CB 3.39Å; E105-K226 IonicContact OE1-NZ 3.31Å; E105-K226 PolarHBondContact OE1-NZ 3.24Å; S120-K226 VanDerWaalsContact CB-O 3.31Å; S120-K226 WeakPolarHBondContact CB-O 3.17Å; S120-K226 PolarHBondContact OG-O 3.01Å; F224-K226 PolarHBondContact O-N 3.28Å; F224-K226 VanDerWaalsContact O-N 3.08Å
227S89.8Confident90.4Very high1 Ų132.6 Ų32.61%0.00716%0.157CC..  trans-145.4166.7176.387.40000108.9I104 Y229I104-S227 VanDerWaalsContact O-CB 3.29Å; I104-S227 WeakPolarHBondContact O-CB 3.48Å; I104-S227 PolarHBondContact O-OG 2.91Å; S227-Y229 PolarHBondContact O-N 2.97Å; S227-Y229 PolarHBondContact OG-N 3.22Å
228P91.9Very high90.5Very high0 Ų035.4 Ų35.40%017%0.17CC..SBendtrans-81.36.4-179.338.6-41.5000113.1M81 A82 Y217 S220 V221M81-P228 HydrophobicContact SD-CB 3.65Å; M81-P228 HydrophobicContact SD-CG 4.18Å; A82-P228 VanDerWaalsContact CB-O 3.32Å; A82-P228 WeakPolarHBondContact CB-O 3.26Å; A82-P228 PolarHBondContact N-O 3.33Å; Y217-P228 HydrophobicContact CD2-CB 4.32Å; Y217-P228 HydrophobicContact CD2-CG 3.81Å; Y217-P228 HydrophobicContact CE1-CG 4.43Å; Y217-P228 HydrophobicContact CE2-CB 4.41Å; Y217-P228 HydrophobicContact CE2-CG 3.5Å; Y217-P228 VanDerWaalsContact CE2-CG 3.5Å; Y217-P228 HydrophobicContact CG-CG 4.41Å; S220-P228 VanDerWaalsContact CB-CB 3.44Å; V221-P228 HydrophobicContact CG2-CB 3.87Å; V221-P228 HydrophobicContact CG2-CG 4.33Å
229Y95.4Very high90.7Very high0 Ų034.9 Ų34.90%017%0.168CC..EExtended strand (participates in β ladder)trans-112141.1-164-61.5-58.4000112.5F79 L80 M81 S103 I104 L195 S227 Q323F79-Y229 HydrophobicContact CB-CD1 3.99Å; F79-Y229 HydrophobicContact CB-CG 4.11Å; F79-Y229 HydrophobicContact CD2-CG 4.3Å; L80-Y229 CarbonylContact O-C 3.58Å; L80-Y229 VanDerWaalsContact O-CA 3.3Å; L80-Y229 WeakPolarHBondContact O-CA 3.47Å; M81-Y229 HydrophobicContact CE-CE1 3.83Å; M81-Y229 HydrophobicContact SD-CE1 4.48Å; S103-Y229 CarbonylContact C-O 3.59Å; S103-Y229 WeakPolarHBondContact CA-O 3.43Å; I104-Y229 PolarHBondContact N-O 3.43Å; L195-Y229 HydrophobicContact CD1-CE1 4.28Å; L195-Y229 WeakPolarHBondContact CD2-OH 3.36Å; S227-Y229 PolarHBondContact O-N 2.97Å; S227-Y229 PolarHBondContact OG-N 3.22Å; Y229-Q323 HydrophobicContact CE2-CB 4.47Å; Y229-Q323 PolarHBondContact OH-OE1 2.78Å
230L95.5Very high90.8Very high1 Ų128.6 Ų28.61%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-117.9152.7174.2-57.7176.4000110.8L80 A82 V87 F101 K102 F224 L443L80-L230 HydrophobicContact CB-CB 4.3Å; L80-L230 WeakPolarHBondContact CD1-O 3.17Å; L80-L230 PolarHBondContact N-O 3Å; L80-L230 PolarHBondContact O-N 3.48Å; A82-L230 HydrophobicContact CB-CD1 3.87Å; A82-L230 HydrophobicContact CB-CD2 4.43Å; A82-L230 HydrophobicContact CB-CG 3.82Å; V87-L230 HydrophobicContact CG2-CD1 4.44Å; F101-L230 HydrophobicContact CB-CB 4.35Å; F101-L230 HydrophobicContact CB-CD1 4.45Å; F101-L230 HydrophobicContact CD1-CB 4.23Å; K102-L230 WeakPolarHBondContact O-CA 3.02Å; F224-L230 HydrophobicContact CD1-CD2 3.81Å; F224-L230 HydrophobicContact CD2-CD2 4.06Å; F224-L230 HydrophobicContact CE1-CD2 4Å; F224-L230 HydrophobicContact CE2-CD1 4.01Å; F224-L230 HydrophobicContact CE2-CD2 4.24Å; F224-L230 HydrophobicContact CG-CD2 3.85Å; F224-L230 HydrophobicContact CZ-CD1 4.02Å; F224-L230 HydrophobicContact CZ-CD2 4.21Å; L230-L443 HydrophobicContact CD1-CD2 3.64Å
231Y96.7Very high90.8Very high1 Ų132.4 Ų32.40%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-136.6135.8171.9-155-107000110.1D74 P77 F79 F101 K102 I104 L236 V342 H346 V348D74-Y231 VanDerWaalsContact CG-OH 3.27Å; D74-Y231 PolarHBondContact OD2-OH 3.49Å; P77-Y231 HydrophobicContact CB-CE2 4.42Å; P77-Y231 WeakPolarHBondContact CB-OH 3.48Å; F79-Y231 AromaticContact CD1-CD2 3.54Å; F79-Y231 HydrophobicContact CD1-CD2 3.54Å; F79-Y231 AromaticContact CD1-CE2 3.9Å; F79-Y231 HydrophobicContact CD1-CE2 3.9Å; F79-Y231 AromaticContact CE1-CD2 3.77Å; F79-Y231 HydrophobicContact CE1-CD2 3.77Å; F79-Y231 AromaticContact CE1-CE2 3.94Å; F79-Y231 HydrophobicContact CE1-CE2 3.94Å; F101-Y231 WeakPolarHBondContact CA-O 3.31Å; K102-Y231 PolarHBondContact N-O 2.81Å; K102-Y231 PolarHBondContact O-N 3.08Å; I104-Y231 HydrophobicContact CD1-CG 4.46Å; Y231-L236 HydrophobicContact CD2-CD2 4.4Å; Y231-L236 HydrophobicContact CE2-CD1 3.94Å; Y231-L236 HydrophobicContact CE2-CD2 4.06Å; Y231-L236 HydrophobicContact CE2-CG 3.88Å; Y231-V342 HydrophobicContact CD1-CG1 4.07Å; Y231-V342 HydrophobicContact CD2-CG1 4.42Å; Y231-V342 HydrophobicContact CE1-CG1 4.13Å; Y231-V342 HydrophobicContact CE1-CG2 4.47Å; Y231-V342 HydrophobicContact CE2-CG1 4.43Å; Y231-V342 HydrophobicContact CG-CG1 4.19Å; Y231-H346 HydrophobicContact CD1-CB 4.32Å; Y231-V348 HydrophobicContact CE1-CG1 4.08Å
232P95.7Very high91Very high0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-65.7142.9173.827.6-33.2000110.9E100 F101 G235 L236E100-P232 WeakPolarHBondContact O-CA 3.45Å; F101-P232 HydrophobicContact CD1-CB 4.28Å; F101-P232 HydrophobicContact CE1-CB 4.1Å; P232-G235 VanDerWaalsContact CG-O 3.24Å; P232-G235 WeakPolarHBondContact CG-O 3.4Å; P232-G235 PolarHBondContact O-N 2.98Å; P232-L236 HydrophobicContact CG-CD2 3.65Å; P232-L236 HydrophobicContact CG-CG 4.33Å
233L96.3Very high91.3Very high17 Ų1726.8 Ų26.89%0.08913%0.133CC..THydrogen-bonded Turntrans-61.3145.8165.9-61.8-172.9000109.3E100 K102 G235 Y347E100-L233 HydrophobicContact CB-CB 4.44Å; E100-L233 HydrophobicContact CB-CD1 3.66Å; E100-L233 HydrophobicContact CB-CG 4.01Å; E100-L233 PolarHBondContact O-N 3Å; K102-L233 HydrophobicContact CB-CD2 3.84Å; K102-L233 HydrophobicContact CD-CD2 4.17Å; L233-G235 PolarHBondContact O-N 2.91Å; L233-Y347 HydrophobicContact CB-CD2 4.13Å; L233-Y347 HydrophobicContact CD1-CD2 4.04Å; L233-Y347 HydrophobicContact CD1-CE2 3.8Å; L233-Y347 HydrophobicContact CD2-CD2 4.33Å; L233-Y347 HydrophobicContact CG-CD2 4.41Å
234Y96.2Very high91.5Very high117 Ų11724.1 Ų24.146%0.45912%0.124SC..THydrogen-bonded Turntrans67.43.7-176.9-47.2-78.6000115.8N72 H346 Y347N72-Y234 WeakPolarHBondContact CB-O 3.42Å; Y234-H346 PolarHBondContact N-O 3.3Å; Y234-Y347 HydrophobicContact CD1-CD2 4.25Å; Y234-Y347 HydrophobicContact CD1-CG 4.39Å; Y234-Y347 HydrophobicContact CD2-CD2 4.47Å; Y234-Y347 AromaticContact CE1-CD2 3.64Å; Y234-Y347 HydrophobicContact CE1-CD2 3.64Å; Y234-Y347 AromaticContact CE1-CG 3.97Å; Y234-Y347 HydrophobicContact CE1-CG 3.97Å; Y234-Y347 AromaticContact CE2-CD2 3.89Å; Y234-Y347 HydrophobicContact CE2-CD2 3.89Å; Y234-Y347 AromaticContact CZ-CD2 3.44Å; Y234-Y347 VanDerWaalsContact CZ-CD2 3.44Å
235G95.2Very high92Very high0 Ų029.1 Ų29.10%014%0.141CC..  trans99.2175.3174.200000114.3D74 P232 L233 G237 E238D74-G235 VanDerWaalsContact OD2-CA 3.26Å; D74-G235 WeakPolarHBondContact OD2-CA 3.35Å; P232-G235 VanDerWaalsContact CG-O 3.24Å; P232-G235 WeakPolarHBondContact CG-O 3.4Å; P232-G235 PolarHBondContact O-N 2.98Å; L233-G235 PolarHBondContact O-N 2.91Å; G235-G237 VanDerWaalsContact C-N 3.29Å; G235-G237 PolarHBondContact O-N 2.9Å; G235-E238 PolarHBondContact O-N 2.87Å
236L94.7Very high92.8Very high4 Ų427 Ų272%0.02112%0.117CC..THydrogen-bonded Turntrans-76.2-15.9-171.6-64.6167.2000113.7D74 K78 L80 Y231 P232 E238 L239 P240 F415D74-L236 WeakPolarHBondContact OD1-CB 3.48Å; D74-L236 PolarHBondContact OD1-N 2.94Å; D74-L236 PolarHBondContact OD2-N 3.27Å; K78-L236 HydrophobicContact CB-CD1 4.46Å; L80-L236 HydrophobicContact CD1-CD2 4.46Å; Y231-L236 HydrophobicContact CD2-CD2 4.4Å; Y231-L236 HydrophobicContact CE2-CD1 3.94Å; Y231-L236 HydrophobicContact CE2-CD2 4.06Å; Y231-L236 HydrophobicContact CE2-CG 3.88Å; P232-L236 HydrophobicContact CG-CD2 3.65Å; P232-L236 HydrophobicContact CG-CG 4.33Å; L236-E238 PolarHBondContact O-N 3.07Å; L236-L239 HydrophobicContact CD2-CD1 3.77Å; L236-L239 WeakPolarHBondContact O-CB 3.46Å; L236-L239 PolarHBondContact O-N 3.18Å; L236-P240 WeakPolarHBondContact O-CD 3.28Å; L236-F415 HydrophobicContact CD1-CE2 4.38Å; L236-F415 HydrophobicContact CD1-CZ 4Å; L236-F415 HydrophobicContact CD2-CE2 3.73Å; L236-F415 HydrophobicContact CD2-CZ 3.84Å; L236-F415 HydrophobicContact CG-CZ 4.49Å
237G93Very high93.2Very high4 Ų422.1 Ų22.14%0.04110%0.096CC..THydrogen-bonded Turntrans-59.5-20.7173.400000113.3S45 G235 L239 Q241S45-G237 VanDerWaalsContact OG-CA 3.31Å; S45-G237 WeakPolarHBondContact OG-CA 3.34Å; S45-G237 PolarHBondContact OG-N 3.42Å; G235-G237 VanDerWaalsContact C-N 3.29Å; G235-G237 PolarHBondContact O-N 2.9Å; G237-L239 VanDerWaalsContact C-N 3.28Å; G237-L239 PolarHBondContact O-N 3.12Å; G237-Q241 WeakPolarHBondContact O-CG 3.48Å; G237-Q241 PolarHBondContact O-NE2 3.42Å
238E93.2Very high93.2Very high60 Ų6024.5 Ų24.528%0.2812%0.116SC..Hα-helixtrans-68.2-26.8173.5-65.4-59.198.700112.6L99 G235 L236 Q241 S242L99-E238 HydrophobicContact CD2-CB 3.59Å; G235-E238 PolarHBondContact O-N 2.87Å; L236-E238 PolarHBondContact O-N 3.07Å; E238-Q241 PolarHBondContact OE1-NE2 2.87Å; E238-S242 VanDerWaalsContact O-CB 3.32Å; E238-S242 WeakPolarHBondContact O-CB 3.29Å; E238-S242 PolarHBondContact O-N 3.17Å; E238-S242 PolarHBondContact O-OG 3.48Å
239L93.8Very high93.1Very high1 Ų128.8 Ų28.81%0.00514%0.142CC..Hα-helixtrans-66.9-57.4-179.7-65.4168.6000111.5L14 L90 L99 F101 L236 G237 Q241 S242 F243 F415L14-L239 HydrophobicContact CD1-CB 3.56Å; L14-L239 HydrophobicContact CD1-CD1 4.17Å; L14-L239 HydrophobicContact CD1-CG 4.46Å; L14-L239 HydrophobicContact CD2-CD1 4.11Å; L90-L239 HydrophobicContact CD1-CD2 3.85Å; L90-L239 HydrophobicContact CD2-CD2 4.14Å; L99-L239 HydrophobicContact CD1-CD2 3.61Å; F101-L239 HydrophobicContact CZ-CD2 4.25Å; L236-L239 HydrophobicContact CD2-CD1 3.77Å; L236-L239 WeakPolarHBondContact O-CB 3.46Å; L236-L239 PolarHBondContact O-N 3.18Å; G237-L239 VanDerWaalsContact C-N 3.28Å; G237-L239 PolarHBondContact O-N 3.12Å; L239-Q241 VanDerWaalsContact C-N 3.28Å; L239-Q241 PolarHBondContact O-N 2.85Å; L239-S242 PolarHBondContact O-N 2.62Å; L239-F243 VanDerWaalsContact O-CD2 3.31Å; L239-F243 WeakPolarHBondContact O-CD2 3.45Å; L239-F243 PolarHBondContact O-N 3.02Å; L239-F243 VanDerWaalsContact O-N 3.13Å; L239-F415 HydrophobicContact CD1-CZ 4.47Å
240P93.2Very high92.8Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-51.4-43.5173-30.436.8000114.1C17 L236 F243 A244C17-P240 HydrophobicContact CB-CB 4.4Å; L236-P240 WeakPolarHBondContact O-CD 3.28Å; P240-F243 PolarHBondContact O-N 2.58Å; P240-A244 PolarHBondContact O-N 2.87Å
241Q91.8Very high92.4Very high80 Ų8037.2 Ų37.237%0.37419%0.191SC..Hα-helixtrans-63.3-43.7-179.9-72.4179.178.400112.2Y39 G237 E238 L239 F243 A244 R245Y39-Q241 HydrophobicContact CD2-CG 3.52Å; Y39-Q241 HydrophobicContact CE2-CG 4.07Å; Y39-Q241 HydrophobicContact CG-CG 3.82Å; G237-Q241 WeakPolarHBondContact O-CG 3.48Å; G237-Q241 PolarHBondContact O-NE2 3.42Å; E238-Q241 PolarHBondContact OE1-NE2 2.87Å; L239-Q241 VanDerWaalsContact C-N 3.28Å; L239-Q241 PolarHBondContact O-N 2.85Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 2.82Å; Q241-A244 WeakPolarHBondContact O-CB 3.41Å; Q241-A244 PolarHBondContact O-N 3.16Å; Q241-A244 VanDerWaalsContact O-N 3.16Å; Q241-R245 PolarHBondContact O-N 2.92Å
242S93.1Very high92.1Very high7 Ų737.5 Ų37.55%0.04920%0.195CC..Hα-helixtrans-63.2-37.4177.7-630000111.9L99 E238 L239 R245 L246L99-S242 VanDerWaalsContact CD2-OG 3.32Å; L99-S242 WeakPolarHBondContact CD2-OG 3.19Å; L99-S242 WeakPolarHBondContact CG-OG 3.39Å; E238-S242 VanDerWaalsContact O-CB 3.32Å; E238-S242 WeakPolarHBondContact O-CB 3.29Å; E238-S242 PolarHBondContact O-N 3.17Å; E238-S242 PolarHBondContact O-OG 3.48Å; L239-S242 PolarHBondContact O-N 2.62Å; S242-R245 PolarHBondContact O-N 3.23Å; S242-L246 WeakPolarHBondContact O-CB 3.3Å; S242-L246 PolarHBondContact O-N 3.24Å
243F92.7Very high91.9Very high1 Ų139.8 Ų39.80%0.00421%0.209CC..Hα-helixtrans-70.2-36.5172.8-85.3-69.6000113.4L14 C17 I18 L90 T93 V95 L239 P240 Q241 R245 L246 S247L14-F243 HydrophobicContact CD1-CE2 4.49Å; C17-F243 HydrophobicContact CB-CB 3.73Å; C17-F243 HydrophobicContact CB-CD2 4.4Å; C17-F243 HydrophobicContact CB-CG 4.25Å; C17-F243 WeakPolarHBondContact O-CD1 3.34Å; I18-F243 HydrophobicContact CB-CE1 4.38Å; I18-F243 HydrophobicContact CB-CE2 4.31Å; I18-F243 HydrophobicContact CB-CZ 4.07Å; I18-F243 HydrophobicContact CG1-CD2 4.05Å; I18-F243 HydrophobicContact CG1-CE1 4.28Å; I18-F243 HydrophobicContact CG1-CE2 3.39Å; I18-F243 HydrophobicContact CG1-CZ 3.52Å; I18-F243 HydrophobicContact CG2-CE1 4.45Å; I18-F243 HydrophobicContact CG2-CZ 4.18Å; L90-F243 HydrophobicContact CD2-CE2 3.43Å; L90-F243 VanDerWaalsContact CD2-CE2 3.43Å; L90-F243 HydrophobicContact CD2-CZ 3.6Å; T93-F243 HydrophobicContact CG2-CE1 4.1Å; V95-F243 HydrophobicContact CG1-CD1 3.82Å; V95-F243 HydrophobicContact CG1-CD2 4.45Å; V95-F243 HydrophobicContact CG1-CE1 3.85Å; V95-F243 HydrophobicContact CG1-CE2 4.47Å; V95-F243 HydrophobicContact CG1-CG 4.13Å; V95-F243 HydrophobicContact CG1-CZ 4.18Å; V95-F243 HydrophobicContact CG2-CE1 4.45Å; V95-F243 HydrophobicContact CG2-CE2 4.17Å; V95-F243 HydrophobicContact CG2-CZ 4Å; L239-F243 VanDerWaalsContact O-CD2 3.31Å; L239-F243 WeakPolarHBondContact O-CD2 3.45Å; L239-F243 PolarHBondContact O-N 3.02Å; L239-F243 VanDerWaalsContact O-N 3.13Å; P240-F243 PolarHBondContact O-N 2.58Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 2.82Å; F243-R245 VanDerWaalsContact C-N 3.31Å; F243-L246 HydrophobicContact CD1-CD2 4.09Å; F243-L246 HydrophobicContact CE1-CD2 4.35Å; F243-L246 WeakPolarHBondContact O-CB 3.37Å; F243-L246 PolarHBondContact O-N 2.73Å; F243-S247 WeakPolarHBondContact O-CB 3.23Å; F243-S247 PolarHBondContact O-N 2.8Å
244A89.2Confident91.7Very high6 Ų641 Ų415%0.0521%0.213CC..Hα-helixtrans-61.3-44.217300000111Y39 P240 Q241 S247 A248 Y254Y39-A244 HydrophobicContact CD1-CB 4.4Å; Y39-A244 HydrophobicContact CE1-CB 3.67Å; P240-A244 PolarHBondContact O-N 2.87Å; Q241-A244 WeakPolarHBondContact O-CB 3.41Å; Q241-A244 PolarHBondContact O-N 3.16Å; Q241-A244 VanDerWaalsContact O-N 3.16Å; A244-S247 PolarHBondContact O-N 3.39Å; A244-A248 PolarHBondContact O-N 2.83Å; A244-A248 VanDerWaalsContact O-N 3.08Å; A244-Y254 VanDerWaalsContact CA-CE2 3.44Å; A244-Y254 HydrophobicContact CB-CD1 3.94Å; A244-Y254 HydrophobicContact CB-CD2 3.97Å; A244-Y254 HydrophobicContact CB-CE1 3.57Å; A244-Y254 HydrophobicContact CB-CE2 3.65Å; A244-Y254 HydrophobicContact CB-CG 4.09Å
245R90.5Very high91.6Very high158 Ų15838.1 Ų38.160%0.59620%0.204SC*.Hα-helixtrans-61.2-44.6174-178.259.1176.3-175.41.3111.9Q241 S242 F243 A248 V249Q241-R245 PolarHBondContact O-N 2.92Å; S242-R245 PolarHBondContact O-N 3.23Å; F243-R245 VanDerWaalsContact C-N 3.31Å; R245-A248 PolarHBondContact O-N 2.96Å; R245-V249 WeakPolarHBondContact O-CG2 3.33Å; R245-V249 PolarHBondContact O-N 3Å; R245-V249 VanDerWaalsContact O-N 3.15Å
246L91.1Very high91.6Very high7 Ų740.7 Ų40.74%0.03722%0.217CC..Hα-helixtrans-58.5-51.9175.6178.774.5000111.4V25 T93 V95 S242 F243 A248 V249 Y250V25-L246 HydrophobicContact CG2-CD2 4.29Å; T93-L246 HydrophobicContact CG2-CD2 4.35Å; T93-L246 WeakPolarHBondContact O-CD1 3.5Å; V95-L246 HydrophobicContact CG1-CB 4.02Å; V95-L246 HydrophobicContact CG1-CD2 3.85Å; V95-L246 HydrophobicContact CG1-CG 4.42Å; S242-L246 WeakPolarHBondContact O-CB 3.3Å; S242-L246 PolarHBondContact O-N 3.24Å; F243-L246 HydrophobicContact CD1-CD2 4.09Å; F243-L246 HydrophobicContact CE1-CD2 4.35Å; F243-L246 WeakPolarHBondContact O-CB 3.37Å; F243-L246 PolarHBondContact O-N 2.73Å; L246-A248 PolarHBondContact O-N 3.04Å; L246-V249 WeakPolarHBondContact O-CB 3.29Å; L246-V249 PolarHBondContact O-N 2.77Å; L246-Y250 HydrophobicContact CD1-CD2 3.98Å; L246-Y250 HydrophobicContact CD1-CE2 3.63Å; L246-Y250 HydrophobicContact CG-CD2 4.24Å; L246-Y250 HydrophobicContact CG-CE2 4.33Å; L246-Y250 WeakPolarHBondContact O-CD2 3.47Å; L246-Y250 PolarHBondContact O-N 2.71Å
247S88.6Confident91.6Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-57-41.4-178.9-173.30000111S24 F243 A244 V249 Y250 G251 G252S24-S247 PolarHBondContact OG-OG 3.18Å; F243-S247 WeakPolarHBondContact O-CB 3.23Å; F243-S247 PolarHBondContact O-N 2.8Å; A244-S247 PolarHBondContact O-N 3.39Å; S247-V249 PolarHBondContact O-N 2.64Å; S247-Y250 CarbonylContact O-C 3.54Å; S247-Y250 PolarHBondContact O-N 2.9Å; S247-Y250 VanDerWaalsContact O-N 3.13Å; S247-G251 PolarHBondContact O-N 2.68Å; S247-G252 WeakPolarHBondContact O-CA 3.35Å; S247-G252 PolarHBondContact O-N 2.75Å
248A89.3Confident91.7Very high51 Ų5147.6 Ų47.642%0.42125%0.248SC..Hα-helixtrans-62-37.6175.300000113.9A244 R245 L246 Y250 G251 G252A244-A248 PolarHBondContact O-N 2.83Å; A244-A248 VanDerWaalsContact O-N 3.08Å; R245-A248 PolarHBondContact O-N 2.96Å; L246-A248 PolarHBondContact O-N 3.04Å; A248-Y250 PolarHBondContact O-N 2.9Å; A248-G251 PolarHBondContact O-N 3Å; A248-G251 VanDerWaalsContact O-N 3.11Å; A248-G252 WeakPolarHBondContact CA-O 3.48Å
249V89.3Confident91.8Very high89 Ų8947 Ų4754%0.53925%0.249SC..Hα-helixtrans-62.6-33.3175.4169.90000111.7R245 L246 S247 G251R245-V249 WeakPolarHBondContact O-CG2 3.33Å; R245-V249 PolarHBondContact O-N 3Å; R245-V249 VanDerWaalsContact O-N 3.15Å; L246-V249 WeakPolarHBondContact O-CB 3.29Å; L246-V249 PolarHBondContact O-N 2.77Å; S247-V249 PolarHBondContact O-N 2.64Å; V249-G251 VanDerWaalsContact C-N 3.3Å
250Y89.4Confident91.9Very high124 Ų12448.6 Ų48.649%0.48626%0.259SS..THydrogen-bonded Turntrans-9012.7177-75.8-90.3000113.4V25 L246 S247 A248V25-Y250 HydrophobicContact CG2-CD2 4.29Å; V25-Y250 HydrophobicContact CG2-CE1 4.4Å; V25-Y250 HydrophobicContact CG2-CE2 3.93Å; L246-Y250 HydrophobicContact CD1-CD2 3.98Å; L246-Y250 HydrophobicContact CD1-CE2 3.63Å; L246-Y250 HydrophobicContact CG-CD2 4.24Å; L246-Y250 HydrophobicContact CG-CE2 4.33Å; L246-Y250 WeakPolarHBondContact O-CD2 3.47Å; L246-Y250 PolarHBondContact O-N 2.71Å; S247-Y250 CarbonylContact O-C 3.54Å; S247-Y250 PolarHBondContact O-N 2.9Å; S247-Y250 VanDerWaalsContact O-N 3.13Å; A248-Y250 PolarHBondContact O-N 2.9Å
251G87.9Confident92.1Very high54 Ų5453 Ų5356%0.55728%0.283SS*.THydrogen-bonded Turntrans82.812.1176.600000115S247 A248 V249S247-G251 PolarHBondContact O-N 2.68Å; A248-G251 PolarHBondContact O-N 3Å; A248-G251 VanDerWaalsContact O-N 3.11Å; V249-G251 VanDerWaalsContact C-N 3.3Å
252G90Very high92.3Very high8 Ų854.1 Ų54.18%0.08229%0.288CS..  trans-70.4144.3169.100000111.8V30 S247 A248V30-G252 CarbonylContact O-C 3.57Å; V30-G252 VanDerWaalsContact O-CA 3.32Å; V30-G252 WeakPolarHBondContact O-CA 3.47Å; S247-G252 WeakPolarHBondContact O-CA 3.35Å; S247-G252 PolarHBondContact O-N 2.75Å; A248-G252 WeakPolarHBondContact CA-O 3.48Å
253T92.4Very high92.5Very high48 Ų4855 Ų5529%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-100.9129.7178.2-57.50000109.6V30 L31 H32 M255V30-T253 PolarHBondContact O-N 3.28Å; L31-T253 CarbonylContact C-O 3.45Å; L31-T253 WeakPolarHBondContact CA-O 3.31Å; L31-T253 HydrophobicContact CD1-CG2 3.89Å; H32-T253 PolarHBondContact N-O 3.16Å; T253-M255 HydrophobicContact CG2-CE 3.51Å; T253-M255 HydrophobicContact CG2-CG 4.26Å
254Y91.4Very high92.8Very high43 Ų4356 Ų5617%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-114.2133.1177.9-117.4-94.2000111T12 C17 H32 Y39 A244T12-Y254 HydrophobicContact CG2-CE1 3.6Å; C17-Y254 PolarHBondContact SG-OH 2.96Å; H32-Y254 HydrophobicContact CB-CD1 4.23Å; H32-Y254 HydrophobicContact CB-CD2 3.58Å; H32-Y254 HydrophobicContact CB-CE1 4.15Å; H32-Y254 HydrophobicContact CB-CE2 3.44Å; H32-Y254 VanDerWaalsContact CB-CE2 3.44Å; H32-Y254 HydrophobicContact CB-CG 4Å; H32-Y254 AromaticContact CD2-CE1 3.77Å; H32-Y254 AromaticContact CD2-CZ 3.69Å; H32-Y254 AromaticContact CE1-CZ 3.56Å; H32-Y254 PolarHBondContact CE1-OH 2.6Å; H32-Y254 AromaticContact CG-CE1 3.75Å; H32-Y254 AromaticContact CG-CE2 3.43Å; H32-Y254 VanDerWaalsContact CG-CE2 3.43Å; H32-Y254 AromaticContact CG-CZ 3.29Å; H32-Y254 AromaticContact ND1-CE2 3.36Å; H32-Y254 WeakPolarHBondContact ND1-CE2 3.48Å; H32-Y254 AromaticContact ND1-CZ 3.21Å; H32-Y254 PolarHBondContact ND1-OH 3.16Å; H32-Y254 AromaticContact NE2-CZ 3.84Å; H32-Y254 PolarHBondContact NE2-OH 3.29Å; H32-Y254 CarbonylContact O-C 3.23Å; H32-Y254 WeakPolarHBondContact O-CA 3.38Å; Y39-Y254 HydrophobicContact CD1-CE1 4.16Å; Y39-Y254 AromaticContact CE1-CD1 3.8Å; Y39-Y254 HydrophobicContact CE1-CD1 3.8Å; Y39-Y254 AromaticContact CE1-CE1 3.58Å; Y39-Y254 HydrophobicContact CE1-CE1 3.58Å; A244-Y254 VanDerWaalsContact CA-CE2 3.44Å; A244-Y254 HydrophobicContact CB-CD1 3.94Å; A244-Y254 HydrophobicContact CB-CD2 3.97Å; A244-Y254 HydrophobicContact CB-CE1 3.57Å; A244-Y254 HydrophobicContact CB-CE2 3.65Å; A244-Y254 HydrophobicContact CB-CG 4.09Å
255M93.8Very high93.2Very high56 Ų5659 Ų5928%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-137.5109179.9-57.8-172.4-176.500110.9L31 H32 M33 D34 T253 K258L31-M255 HydrophobicContact CD1-CE 3.94Å; L31-M255 HydrophobicContact CD1-CG 4.21Å; L31-M255 HydrophobicContact CD1-SD 4.09Å; H32-M255 PolarHBondContact O-N 3.49Å; M33-M255 CarbonylContact C-O 3.54Å; M33-M255 VanDerWaalsContact CA-O 3.29Å; M33-M255 WeakPolarHBondContact CA-O 3.42Å; M33-M255 HydrophobicContact CG-CB 4.34Å; D34-M255 PolarHBondContact N-O 2.96Å; T253-M255 HydrophobicContact CG2-CE 3.51Å; T253-M255 HydrophobicContact CG2-CG 4.26Å; M255-K258 HydrophobicContact CB-CB 4.08Å; M255-K258 HydrophobicContact CB-CG 4.34Å
256L94.8Very high93.5Very high53 Ų5356 Ų5628%0.27731%0.305SS..SBendtrans-84170.3165.6-62.4-177.2000110.3T12 D34 Y39 K258T12-L256 HydrophobicContact CG2-CD2 4.15Å; D34-L256 HydrophobicContact CB-CD2 3.72Å; D34-L256 CarbonylContact O-C 3.58Å; Y39-L256 HydrophobicContact CD1-CD2 4.25Å; Y39-L256 HydrophobicContact CD2-CD1 4.17Å; Y39-L256 HydrophobicContact CE1-CD1 4.27Å; Y39-L256 HydrophobicContact CE1-CD2 4.1Å; Y39-L256 HydrophobicContact CE1-CG 4.4Å; Y39-L256 HydrophobicContact CE2-CD1 3.76Å; L256-K258 PolarHBondContact O-N 2.72Å; L256-K258 VanDerWaalsContact O-N 3.13Å
257E95.2Very high93.8Very high131 Ų13163.7 Ų63.761%0.61235%0.346SS*.SBendtrans53.630.7-177.6-62.5-171.7118.700113.3D34 N36 N37 P259D34-E257 PolarHBondContact O-N 3.25Å; D34-E257 VanDerWaalsContact O-N 3.12Å; N36-E257 PolarHBondContact O-N 3.28Å; N37-E257 HydrophobicContact CB-CG 3.33Å; N37-E257 WeakPolarHBondContact CB-OE1 3.31Å; E257-P259 VanDerWaalsContact O-CD 3.31Å; E257-P259 WeakPolarHBondContact O-CD 3.42Å
258K95.4Very high94.1Very high22 Ų2265.9 Ų65.910%0.09637%0.369CS..  trans-112.691.8-176.1-163.260.7170.9177.80109.9M33 D34 R35 M255 L256 S275 E278M33-K258 HydrophobicContact CB-CB 4.37Å; M33-K258 HydrophobicContact CB-CG 4.45Å; M33-K258 HydrophobicContact CG-CG 4.28Å; M33-K258 HydrophobicContact SD-CG 3.83Å; D34-K258 CarbonylContact C-O 3.59Å; D34-K258 PolarHBondContact O-N 3.08Å; R35-K258 PolarHBondContact N-O 3.07Å; M255-K258 HydrophobicContact CB-CB 4.08Å; M255-K258 HydrophobicContact CB-CG 4.34Å; L256-K258 PolarHBondContact O-N 2.72Å; L256-K258 VanDerWaalsContact O-N 3.13Å; K258-S275 VanDerWaalsContact CD-OG 3.32Å; K258-S275 WeakPolarHBondContact CD-OG 3.22Å; K258-S275 WeakPolarHBondContact CE-OG 3.5Å; K258-S275 WeakPolarHBondContact CG-OG 3.29Å; K258-E278 IonicContact NZ-OE2 3.71Å
259P95.5Very high94.5Very high47 Ų4768.7 Ų68.731%0.30537%0.372SS..  trans-66.3142.7-17928.4-34.5000110.6E257 S275 Q276E257-P259 VanDerWaalsContact O-CD 3.31Å; E257-P259 WeakPolarHBondContact O-CD 3.42Å; P259-S275 WeakPolarHBondContact O-CB 3.48Å; P259-S275 PolarHBondContact O-OG 2.7Å; P259-Q276 HydrophobicContact CG-CG 3.72Å
260V96.3Very high94.9Very high36 Ų3664.7 Ų64.722%0.21835%0.347CS..  trans-97.9119.3175175.20000108.5L10 V273 Y291L10-V260 HydrophobicContact CD1-CG1 4.15Å; L10-V260 HydrophobicContact CD1-CG2 4.15Å; L10-V260 HydrophobicContact CD2-CG2 3.78Å; L10-V260 HydrophobicContact CG-CG2 4.41Å; V260-V273 HydrophobicContact CB-CG1 4.48Å; V260-V273 HydrophobicContact CG1-CG1 3.61Å; V260-V273 HydrophobicContact CG2-CG1 4.22Å; V260-Y291 HydrophobicContact CB-CD1 4Å; V260-Y291 HydrophobicContact CB-CE1 4.13Å; V260-Y291 HydrophobicContact CG2-CD1 3.85Å; V260-Y291 HydrophobicContact CG2-CE1 3.69Å
261D95.9Very high95.3Very high92 Ų9260.2 Ų60.249%0.49233%0.333SS..  trans-83.9-43178.7-56.9-34.5000110.5K274 S275 Q276D261-K274 HydrophobicContact CB-CB 4.46Å; D261-K274 HydrophobicContact CB-CG 4.39Å; D261-K274 PolarHBondContact N-O 3.34Å; D261-S275 WeakPolarHBondContact OD2-CA 3.46Å; D261-Q276 PolarHBondContact OD2-N 2.98Å
262E96.6Very high95.8Very high103 Ų10357.7 Ų57.748%0.48131%0.307SS..EExtended strand (participates in β ladder)trans-158.8139.2-173.2-174.1-179.9-175.400112V273 K274E262-V273 WeakPolarHBondContact O-CA 3.36Å; E262-K274 HydrophobicContact CB-CB 4.14Å; E262-K274 PolarHBondContact N-O 2.84Å; E262-K274 PolarHBondContact O-N 3.34Å
263I97.9Very high96.2Very high25 Ų2557.3 Ų57.313%0.12830%0.303CS..EExtended strand (participates in β ladder)trans-89.3108.8162.1-61173.8000107.1L10 I265 V270 V285 A292 I403L10-I263 HydrophobicContact CD1-CD1 3.98Å; L10-I263 HydrophobicContact CD1-CG1 4.01Å; I263-I265 PolarHBondContact O-N 3.47Å; I263-V270 HydrophobicContact CG2-CB 4.36Å; I263-V270 HydrophobicContact CG2-CG2 3.47Å; I263-V270 VanDerWaalsContact CG2-CG2 3.47Å; I263-V285 HydrophobicContact CD1-CG1 4.31Å; I263-V285 HydrophobicContact CG2-CG2 4.44Å; I263-A292 HydrophobicContact CD1-CB 4.39Å; I263-I403 HydrophobicContact CG2-CD1 3.88Å; I263-I403 HydrophobicContact CG2-CG1 4.41Å
264V97.6Very high96.4Very high23 Ų2358.7 Ų58.714%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-78122.6-172.5-172.50000109.6V270 V271 G272 K274 T279V264-V270 WeakPolarHBondContact O-CA 3.32Å; V264-V270 WeakPolarHBondContact O-CG2 3.44Å; V264-V271 HydrophobicContact CB-CG2 4.07Å; V264-V271 HydrophobicContact CG1-CG2 3.7Å; V264-V271 WeakPolarHBondContact O-CG2 3.5Å; V264-V271 PolarHBondContact O-N 2.97Å; V264-G272 PolarHBondContact N-O 2.76Å; V264-K274 HydrophobicContact CG2-CB 4.29Å; V264-T279 HydrophobicContact CG2-CG2 4.29Å
265I97.7Very high96.6Very high68 Ų6856.6 Ų56.635%0.34930%0.297SS..EExtended strand (participates in β ladder)trans-120126.1-177.3-65.2157000109.3I263 K269 R295 I403I263-I265 PolarHBondContact O-N 3.47Å; I265-K269 CarbonylContact C-O 3.41Å; I265-K269 VanDerWaalsContact CA-O 3.27Å; I265-K269 WeakPolarHBondContact CA-O 3.49Å; I265-R295 VanDerWaalsContact CD1-NH2 3.26Å; I265-I403 HydrophobicContact CD1-CD1 4.01Å; I265-I403 HydrophobicContact CG1-CD1 4.17Å
266E97.6Very high96.6Very high95 Ų9559.4 Ų59.444%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-122.7135.8172.2-67.4170.6-153.600107.7G268 K269 V271 R281E266-G268 PolarHBondContact O-N 3.46Å; E266-K269 PolarHBondContact N-O 3.37Å; E266-K269 PolarHBondContact O-N 3.03Å; E266-V271 HydrophobicContact CB-CG1 3.9Å; E266-V271 HydrophobicContact CB-CG2 4.12Å; E266-V271 HydrophobicContact CG-CG1 4.33Å; E266-V271 HydrophobicContact CG-CG2 3.72Å; E266-R281 IonicContact OE1-CZ 3.73Å; E266-R281 IonicContact OE1-NH1 3.62Å; E266-R281 PolarHBondContact OE1-NH1 2.84Å; E266-R281 IonicContact OE1-NH2 3.57Å
267D96.3Very high96.5Very high169 Ų16960 Ų6090%0.90433%0.328SS*.THydrogen-bonded Turntrans49.336.9-179.1-59.8-38.4000114.7K269D267-K269 PolarHBondContact O-N 3.19Å
268G95.6Very high96.4Very high46 Ų4657.2 Ų57.247%0.47432%0.315SS..THydrogen-bonded Turntrans77.8-0.7179.400000115.3E266 S401E266-G268 PolarHBondContact O-N 3.46Å; G268-S401 WeakPolarHBondContact O-CA 3.34Å
269K98Very high96.4Very high110 Ų11058.4 Ų58.448%0.47832%0.324SS..EExtended strand (participates in β ladder)trans-113.7146.6178.6-68.8179.7180178.90111.9I265 E266 D267 S400 S401I265-K269 CarbonylContact C-O 3.41Å; I265-K269 VanDerWaalsContact CA-O 3.27Å; I265-K269 WeakPolarHBondContact CA-O 3.49Å; E266-K269 PolarHBondContact N-O 3.37Å; E266-K269 PolarHBondContact O-N 3.03Å; D267-K269 PolarHBondContact O-N 3.19Å; K269-S400 WeakPolarHBondContact CG-O 3.38Å; K269-S401 WeakPolarHBondContact CA-O 3.42Å
270V98.1Very high96.4Very high5 Ų556.1 Ų56.13%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-66.2139.9171.471.10000110.8I263 V264 V285 S401 N402 I403I263-V270 HydrophobicContact CG2-CB 4.36Å; I263-V270 HydrophobicContact CG2-CG2 3.47Å; I263-V270 VanDerWaalsContact CG2-CG2 3.47Å; V264-V270 WeakPolarHBondContact O-CA 3.32Å; V264-V270 WeakPolarHBondContact O-CG2 3.44Å; V270-V285 HydrophobicContact CB-CG2 4.44Å; V270-V285 HydrophobicContact CG1-CB 4.44Å; V270-V285 HydrophobicContact CG1-CG2 4.18Å; V270-V285 HydrophobicContact CG2-CB 4.38Å; V270-V285 HydrophobicContact CG2-CG2 3.57Å; V270-S401 PolarHBondContact N-O 2.9Å; V270-N402 HydrophobicContact CG1-CB 3.78Å; V270-N402 WeakPolarHBondContact CG1-O 3.3Å; V270-I403 HydrophobicContact CB-CD1 4.17Å; V270-I403 HydrophobicContact CB-CG1 3.79Å; V270-I403 HydrophobicContact CG1-CG1 4.08Å; V270-I403 HydrophobicContact CG2-CG1 4.41Å
271V97.8Very high96.5Very high31 Ų3159.8 Ų59.819%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-129-7178-67.90000112.8V264 E266 R281 C282V264-V271 HydrophobicContact CB-CG2 4.07Å; V264-V271 HydrophobicContact CG1-CG2 3.7Å; V264-V271 WeakPolarHBondContact O-CG2 3.5Å; V264-V271 PolarHBondContact O-N 2.97Å; E266-V271 HydrophobicContact CB-CG1 3.9Å; E266-V271 HydrophobicContact CB-CG2 4.12Å; E266-V271 HydrophobicContact CG-CG1 4.33Å; E266-V271 HydrophobicContact CG-CG2 3.72Å; V271-R281 VanDerWaalsContact CG2-NH1 3.25Å; V271-R281 WeakPolarHBondContact O-CA 3.49Å; V271-R281 WeakPolarHBondContact O-CD 3.27Å; V271-C282 CarbonylContact C-O 3.55Å; V271-C282 WeakPolarHBondContact CA-O 3.2Å; V271-C282 PolarHBondContact O-N 2.89Å; V271-C282 VanDerWaalsContact O-N 3.09Å
272G97.6Very high96.6Very high0 Ų055.8 Ų55.80%030%0.298CS..EExtended strand (participates in β ladder)trans171.5178178.100000113.4V264 A280V264-G272 PolarHBondContact N-O 2.76Å; G272-A280 CarbonylContact C-O 3.59Å; G272-A280 WeakPolarHBondContact CA-O 3.31Å
273V97.7Very high96.6Very high0 Ų055 Ų550%029%0.294CS..EExtended strand (participates in β ladder)trans-129.5130.3175.1-179.50000108.7I8 L10 M33 V260 E262 T279 A280 V285I8-V273 HydrophobicContact CB-CG2 4.25Å; I8-V273 HydrophobicContact CD1-CB 4.08Å; I8-V273 HydrophobicContact CD1-CG2 4.02Å; I8-V273 HydrophobicContact CG2-CB 4.29Å; I8-V273 HydrophobicContact CG2-CG2 3.77Å; L10-V273 HydrophobicContact CD1-CG1 4.32Å; L10-V273 HydrophobicContact CD1-CG2 4.3Å; L10-V273 HydrophobicContact CD2-CG1 4.12Å; L10-V273 HydrophobicContact CD2-CG2 4.41Å; M33-V273 HydrophobicContact CE-CB 4.06Å; M33-V273 HydrophobicContact CE-CG1 3.69Å; V260-V273 HydrophobicContact CB-CG1 4.48Å; V260-V273 HydrophobicContact CG1-CG1 3.61Å; V260-V273 HydrophobicContact CG2-CG1 4.22Å; E262-V273 WeakPolarHBondContact O-CA 3.36Å; V273-T279 WeakPolarHBondContact O-CA 3.44Å; V273-A280 PolarHBondContact N-O 2.97Å; V273-A280 PolarHBondContact O-N 3.45Å; V273-V285 HydrophobicContact CG2-CG2 3.76Å
274K96.7Very high96.6Very high77 Ų7756.3 Ų56.334%0.33530%0.299SS..EExtended strand (participates in β ladder)trans-94.5134.9177.1-169.4178.1179.3-179.70110.5D261 E262 V264 E278D261-K274 HydrophobicContact CB-CB 4.46Å; D261-K274 HydrophobicContact CB-CG 4.39Å; D261-K274 PolarHBondContact N-O 3.34Å; E262-K274 HydrophobicContact CB-CB 4.14Å; E262-K274 PolarHBondContact N-O 2.84Å; E262-K274 PolarHBondContact O-N 3.34Å; V264-K274 HydrophobicContact CG2-CB 4.29Å; K274-E278 CarbonylContact C-O 3.57Å; K274-E278 VanDerWaalsContact CA-O 3.3Å; K274-E278 WeakPolarHBondContact CA-O 3.39Å; K274-E278 WeakPolarHBondContact CG-O 3.34Å
275S95.9Very high96.7Very high0 Ų055.2 Ų55.20%029%0.293CS..EExtended strand (participates in β ladder)trans-150.9123.1178.3176.90000110.4K258 P259 D261 G277 E278K258-S275 VanDerWaalsContact CD-OG 3.32Å; K258-S275 WeakPolarHBondContact CD-OG 3.22Å; K258-S275 WeakPolarHBondContact CE-OG 3.5Å; K258-S275 WeakPolarHBondContact CG-OG 3.29Å; P259-S275 WeakPolarHBondContact O-CB 3.48Å; P259-S275 PolarHBondContact O-OG 2.7Å; D261-S275 WeakPolarHBondContact OD2-CA 3.46Å; S275-G277 PolarHBondContact O-N 3.33Å; S275-E278 PolarHBondContact N-O 3Å; S275-E278 PolarHBondContact O-N 2.81Å; S275-E278 VanDerWaalsContact O-N 3.09Å
276Q94.2Very high96.7Very high115 Ų11552 Ų5254%0.53728%0.276SS..THydrogen-bonded Turntrans54.138.9174.2-60.2176.6-38.300113.3P259 D261 E278P259-Q276 HydrophobicContact CG-CG 3.72Å; D261-Q276 PolarHBondContact OD2-N 2.98Å; Q276-E278 VanDerWaalsContact C-N 3.32Å; Q276-E278 PolarHBondContact O-N 3.37Å
277G91.9Very high96.8Very high65 Ų6547.5 Ų47.567%0.6726%0.255SS*.THydrogen-bonded Turntrans85.4-6.8178.300000115.7S275S275-G277 PolarHBondContact O-N 3.33Å
278E93.7Very high96.8Very high73 Ų7340.4 Ų40.434%0.34122%0.217SC..EExtended strand (participates in β ladder)trans-102.3155.8173.6-66.9177.78800111M1 K258 K274 S275 Q276M1-E278 HydrophobicContact CB-CB 4.11Å; M1-E278 HydrophobicContact CE-CB 3.43Å; M1-E278 VanDerWaalsContact CE-CB 3.43Å; M1-E278 VanDerWaalsContact CE-CD 3.45Å; M1-E278 HydrophobicContact CE-CG 4.02Å; M1-E278 WeakPolarHBondContact CE-OE2 3.3Å; M1-E278 PolarHBondContact N-OE1 2.78Å; M1-E278 HydrophobicContact SD-CB 4.34Å; K258-E278 IonicContact NZ-OE2 3.71Å; K274-E278 CarbonylContact C-O 3.57Å; K274-E278 VanDerWaalsContact CA-O 3.3Å; K274-E278 WeakPolarHBondContact CA-O 3.39Å; K274-E278 WeakPolarHBondContact CG-O 3.34Å; S275-E278 PolarHBondContact N-O 3Å; S275-E278 PolarHBondContact O-N 2.81Å; S275-E278 VanDerWaalsContact O-N 3.09Å; Q276-E278 VanDerWaalsContact C-N 3.32Å; Q276-E278 PolarHBondContact O-N 3.37Å
279T95.1Very high97Very high46 Ų4638.8 Ų38.828%0.28220%0.198SC..EExtended strand (participates in β ladder)trans-125.3115.2175.6-59.20000110.5V264 V273V264-T279 HydrophobicContact CG2-CG2 4.29Å; V273-T279 WeakPolarHBondContact O-CA 3.44Å
280A96.3Very high96.9Very high0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-85.4123.5169.300000109.5M1 Y5 I8 L31 G272 V273M1-A280 HydrophobicContact CB-CB 4.18Å; M1-A280 HydrophobicContact CG-CB 4.04Å; M1-A280 HydrophobicContact SD-CB 4.11Å; Y5-A280 HydrophobicContact CD2-CB 4.35Å; Y5-A280 HydrophobicContact CE2-CB 4.26Å; I8-A280 HydrophobicContact CD1-CB 3.66Å; L31-A280 HydrophobicContact CD2-CB 3.7Å; G272-A280 CarbonylContact C-O 3.59Å; G272-A280 WeakPolarHBondContact CA-O 3.31Å; V273-A280 PolarHBondContact N-O 2.97Å; V273-A280 PolarHBondContact O-N 3.45Å
281R97.6Very high96.9Very high113 Ų11336.7 Ų36.743%0.42620%0.195SC..EExtended strand (participates in β ladder)trans-84141-179.9-69-68.2-169.81703.4110.7Y5 E266 V271Y5-R281 PolarHBondContact N-O 3.46Å; E266-R281 IonicContact OE1-CZ 3.73Å; E266-R281 IonicContact OE1-NH1 3.62Å; E266-R281 PolarHBondContact OE1-NH1 2.84Å; E266-R281 IonicContact OE1-NH2 3.57Å; V271-R281 VanDerWaalsContact CG2-NH1 3.25Å; V271-R281 WeakPolarHBondContact O-CA 3.49Å; V271-R281 WeakPolarHBondContact O-CD 3.27Å
282C97.8Very high96.9Very high8 Ų835.6 Ų35.65%0.05419%0.189CC..EExtended strand (participates in β ladder)trans-150.3162.6179.866.50000113.7Y5 I8 V271Y5-C282 VanDerWaalsContact O-CA 3.26Å; Y5-C282 WeakPolarHBondContact O-CA 3.13Å; I8-C282 HydrophobicContact CB-CB 4.22Å; I8-C282 HydrophobicContact CD1-CB 3.61Å; I8-C282 HydrophobicContact CG1-CB 3.62Å; V271-C282 CarbonylContact C-O 3.55Å; V271-C282 WeakPolarHBondContact CA-O 3.2Å; V271-C282 PolarHBondContact O-N 2.89Å; V271-C282 VanDerWaalsContact O-N 3.09Å
283E97.9Very high96.8Very high86 Ų8639.7 Ų39.740%0.40222%0.215SC..EExtended strand (participates in β ladder)trans-91.4-30.6175.4-51.3-166.9162.400112.8K4 Y5 D6 N402K4-E283 WeakPolarHBondContact CE-OE1 3.31Å; K4-E283 IonicContact NZ-OE1 3.83Å; K4-E283 PolarHBondContact NZ-OE1 3.24Å; Y5-E283 PolarHBondContact O-N 3.09Å; D6-E283 WeakPolarHBondContact O-CB 3.4Å; D6-E283 PolarHBondContact O-N 2.74Å; E283-N402 VanDerWaalsContact O-CB 3.29Å; E283-N402 WeakPolarHBondContact O-CB 3.48Å; E283-N402 PolarHBondContact O-ND2 2.97Å; E283-N402 VanDerWaalsContact O-ND2 3.1Å
284K98.6Very high96.8Very high53 Ų5347.4 Ų47.423%0.2326%0.256CS..EExtended strand (participates in β ladder)trans-140.6152.9179.8-60.2174.9-179.8169.70111.5D6 I7 I8 N402 Y404 I429D6-K284 PolarHBondContact O-N 2.88Å; D6-K284 VanDerWaalsContact O-N 3.15Å; I7-K284 WeakPolarHBondContact CA-O 3.36Å; I7-K284 HydrophobicContact CG1-CB 4.3Å; I8-K284 PolarHBondContact N-O 2.79Å; K284-N402 CarbonylContact C-O 3.55Å; K284-N402 WeakPolarHBondContact CA-O 3.15Å; K284-N402 HydrophobicContact CG-CB 4.1Å; K284-Y404 HydrophobicContact CB-CE2 4.17Å; K284-Y404 HydrophobicContact CD-CE2 3.89Å; K284-Y404 HydrophobicContact CG-CE2 4.04Å; K284-I429 HydrophobicContact CD-CG2 4.22Å; K284-I429 PolarHBondContact NZ-O 3.45Å
285V98.7Very high96.9Very high0 Ų046.7 Ų46.70%025%0.251CS..EExtended strand (participates in β ladder)trans-121.1136.6170.2169.40000110.2I8 L10 I263 V270 V273 N402 I403 Y404I8-V285 HydrophobicContact CB-CG2 4.31Å; I8-V285 CarbonylContact O-C 3.51Å; I8-V285 VanDerWaalsContact O-CA 3.25Å; I8-V285 WeakPolarHBondContact O-CA 3.45Å; L10-V285 HydrophobicContact CD1-CG1 4.01Å; L10-V285 HydrophobicContact CG-CG1 4.24Å; I263-V285 HydrophobicContact CD1-CG1 4.31Å; I263-V285 HydrophobicContact CG2-CG2 4.44Å; V270-V285 HydrophobicContact CB-CG2 4.44Å; V270-V285 HydrophobicContact CG1-CB 4.44Å; V270-V285 HydrophobicContact CG1-CG2 4.18Å; V270-V285 HydrophobicContact CG2-CB 4.38Å; V270-V285 HydrophobicContact CG2-CG2 3.57Å; V273-V285 HydrophobicContact CG2-CG2 3.76Å; V285-N402 PolarHBondContact N-O 3.15Å; V285-I403 HydrophobicContact CB-CG1 4.48Å; V285-I403 HydrophobicContact CG1-CG2 4.48Å; V285-I403 CarbonylContact O-C 3.58Å; V285-I403 WeakPolarHBondContact O-CA 3.44Å; V285-Y404 PolarHBondContact O-N 3.04Å
286I98.7Very high97Very high0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-115.4134.6168.7-57.3173.2000107.3I7 I8 V9 L10 L19 M23 Y404 M425 I429I7-I286 HydrophobicContact CG2-CD1 3.77Å; I7-I286 HydrophobicContact CG2-CG1 3.96Å; I8-I286 PolarHBondContact O-N 3.03Å; V9-I286 CarbonylContact C-O 3.49Å; V9-I286 VanDerWaalsContact CA-O 3.29Å; V9-I286 WeakPolarHBondContact CA-O 3.44Å; V9-I286 HydrophobicContact CG1-CB 4.27Å; V9-I286 HydrophobicContact CG1-CG2 4.37Å; V9-I286 HydrophobicContact CG2-CB 4.19Å; V9-I286 HydrophobicContact CG2-CD1 4.26Å; L10-I286 PolarHBondContact N-O 2.85Å; L19-I286 HydrophobicContact CB-CD1 4.05Å; L19-I286 HydrophobicContact CD1-CG2 3.83Å; M23-I286 HydrophobicContact CG-CD1 4.49Å; I286-Y404 VanDerWaalsContact CA-O 3.3Å; I286-Y404 WeakPolarHBondContact CA-O 3.39Å; I286-M425 HydrophobicContact CG2-CE 3.83Å; I286-I429 HydrophobicContact CD1-CD1 3.52Å; I286-I429 HydrophobicContact CG1-CD1 3.83Å
287C98.5Very high97.2Very high0 Ų049.1 Ų49.10%026%0.258CS..EExtended strand (participates in β ladder)trans-156.1164.3175.361.90000114.2L10 Y291 Y404 I405 S406L10-C287 HydrophobicContact CB-CB 3.76Å; L10-C287 HydrophobicContact CD1-CB 4.44Å; L10-C287 HydrophobicContact CG-CB 4.38Å; L10-C287 VanDerWaalsContact O-CA 3.27Å; L10-C287 WeakPolarHBondContact O-CA 3.47Å; L10-C287 WeakPolarHBondContact O-CB 3.32Å; C287-Y291 HydrophobicContact CB-CD2 4.36Å; C287-Y291 HydrophobicContact CB-CG 4.37Å; C287-Y404 PolarHBondContact N-O 3.3Å; C287-I405 VanDerWaalsContact O-CA 3.28Å; C287-I405 WeakPolarHBondContact O-CA 2.8Å; C287-S406 PolarHBondContact O-N 2.86Å
288D97.4Very high97.5Very high21 Ų2151 Ų5111%0.11225%0.248CC..  trans-76.1161.6163.280.167.8000111.2L10 S290 Y291L10-D288 PolarHBondContact O-N 3.2Å; D288-S290 PolarHBondContact O-N 3.28Å; D288-S290 WeakPolarHBondContact OD1-CB 3.39Å; D288-S290 PolarHBondContact OD1-N 3.44Å; D288-S290 PolarHBondContact OD1-OG 3.44Å; D288-Y291 PolarHBondContact O-N 2.87Å; D288-Y291 WeakPolarHBondContact OD2-CD2 3.24Å; D288-Y291 VanDerWaalsContact OD2-CE2 3.23Å; D288-Y291 WeakPolarHBondContact OD2-CE2 3.41Å
289P98Very high97.7Very high12 Ų1250.9 Ų50.98%0.07825%0.254CS..G310 helixtrans-50.5-31.2-176.2-33.138.5000116.1Y291 A292 V296 F392 I405 S406P289-Y291 VanDerWaalsContact C-N 3.26Å; P289-Y291 PolarHBondContact O-N 3.14Å; P289-A292 CarbonylContact O-C 3.57Å; P289-A292 PolarHBondContact O-N 2.88Å; P289-V296 HydrophobicContact CB-CB 4.49Å; P289-V296 HydrophobicContact CB-CG1 3.98Å; P289-V296 HydrophobicContact CB-CG2 4.27Å; P289-V296 HydrophobicContact CG-CG1 4.48Å; P289-F392 HydrophobicContact CB-CB 3.69Å; P289-F392 HydrophobicContact CB-CD2 4.33Å; P289-F392 HydrophobicContact CB-CG 4.22Å; P289-F392 HydrophobicContact CG-CB 3.86Å; P289-I405 HydrophobicContact CG-CG2 4.21Å; P289-S406 WeakPolarHBondContact CD-O 3.25Å; P289-S406 VanDerWaalsContact CG-O 3.28Å; P289-S406 WeakPolarHBondContact CG-O 3.39Å
290S96.9Very high97.8Very high49 Ų4949.8 Ų49.834%0.34325%0.252SS..G310 helixtrans-74.2-14.3-171.675.40000114.2R35 D288R35-S290 VanDerWaalsContact NH2-CB 3.26Å; R35-S290 PolarHBondContact NH2-OG 3.13Å; D288-S290 PolarHBondContact O-N 3.28Å; D288-S290 WeakPolarHBondContact OD1-CB 3.39Å; D288-S290 PolarHBondContact OD1-N 3.44Å; D288-S290 PolarHBondContact OD1-OG 3.44Å
291Y97.9Very high97.9Very high22 Ų2252.8 Ų52.89%0.08627%0.266CS..G310 helixtrans-89.2-14173.5-71.8-85000113L10 G11 D34 R35 V260 C287 D288 P289L10-Y291 HydrophobicContact CB-CD1 3.73Å; L10-Y291 HydrophobicContact CB-CD2 3.95Å; L10-Y291 HydrophobicContact CB-CE1 4.02Å; L10-Y291 HydrophobicContact CB-CE2 4.24Å; L10-Y291 HydrophobicContact CB-CG 3.68Å; L10-Y291 HydrophobicContact CD1-CD1 4.14Å; L10-Y291 HydrophobicContact CD1-CG 4.33Å; L10-Y291 WeakPolarHBondContact O-CD2 3Å; G11-Y291 VanDerWaalsContact CA-CE2 3.41Å; D34-Y291 PolarHBondContact OD1-OH 2.97Å; D34-Y291 VanDerWaalsContact OD1-OH 3.1Å; R35-Y291 PolarHBondContact N-OH 3.08Å; R35-Y291 VanDerWaalsContact N-OH 3.08Å; V260-Y291 HydrophobicContact CB-CD1 4Å; V260-Y291 HydrophobicContact CB-CE1 4.13Å; V260-Y291 HydrophobicContact CG2-CD1 3.85Å; V260-Y291 HydrophobicContact CG2-CE1 3.69Å; C287-Y291 HydrophobicContact CB-CD2 4.36Å; C287-Y291 HydrophobicContact CB-CG 4.37Å; D288-Y291 PolarHBondContact O-N 2.87Å; D288-Y291 WeakPolarHBondContact OD2-CD2 3.24Å; D288-Y291 VanDerWaalsContact OD2-CE2 3.23Å; D288-Y291 WeakPolarHBondContact OD2-CE2 3.41Å; P289-Y291 VanDerWaalsContact C-N 3.26Å; P289-Y291 PolarHBondContact O-N 3.14Å
292A97.5Very high97.9Very high8 Ų847.5 Ų47.57%0.06625%0.246CC..  trans-137.657.9-179.700000111.8I263 P289 N294 R295 I405I263-A292 HydrophobicContact CD1-CB 4.39Å; P289-A292 CarbonylContact O-C 3.57Å; P289-A292 PolarHBondContact O-N 2.88Å; A292-N294 PolarHBondContact O-N 3.5Å; A292-R295 HydrophobicContact CB-CB 4.22Å; A292-R295 PolarHBondContact O-N 3.33Å; A292-I405 HydrophobicContact CB-CD1 3.62Å; A292-I405 HydrophobicContact CB-CG1 4.22Å
293P96.7Very high98Very high85 Ų8547.1 Ų47.155%0.55224%0.243SC*.G310 helixtrans-60.1-26-172.424.3-35.2000113.9R295P293-R295 VanDerWaalsContact C-N 3.28Å; P293-R295 PolarHBondContact O-N 3.46Å
294N96.8Very high98Very high162 Ų16243.5 Ų43.587%0.86623%0.226SC*.G310 helixtrans-81.6-2.6178.1-61.3-32.9000113.8A292A292-N294 PolarHBondContact O-N 3.5Å
295R97.9Very high98Very high62 Ų6241 Ų4123%0.23422%0.215CC..G310 helixtrans-118.911.3-177.3-65.3-178170.5-82.9-0.2112.7I265 A292 P293 V395 D396 I405I265-R295 VanDerWaalsContact CD1-NH2 3.26Å; A292-R295 HydrophobicContact CB-CB 4.22Å; A292-R295 PolarHBondContact O-N 3.33Å; P293-R295 VanDerWaalsContact C-N 3.28Å; P293-R295 PolarHBondContact O-N 3.46Å; R295-V395 WeakPolarHBondContact O-CG2 3.18Å; R295-V395 PolarHBondContact O-N 3.31Å; R295-D396 IonicContact NH1-OD2 2.74Å; R295-I405 HydrophobicContact CB-CD1 3.46Å; R295-I405 VanDerWaalsContact CB-CD1 3.46Å
296V98.6Very high98Very high19 Ų1941.1 Ų41.112%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-126.9153.6177.8-63.10000109.9P289 F392 E393 I405P289-V296 HydrophobicContact CB-CB 4.49Å; P289-V296 HydrophobicContact CB-CG1 3.98Å; P289-V296 HydrophobicContact CB-CG2 4.27Å; P289-V296 HydrophobicContact CG-CG1 4.48Å; V296-F392 HydrophobicContact CB-CB 4.13Å; V296-F392 HydrophobicContact CB-CD1 4.42Å; V296-F392 HydrophobicContact CG2-CB 4.21Å; V296-F392 HydrophobicContact CG2-CD1 3.87Å; V296-F392 HydrophobicContact CG2-CG 4.21Å; V296-E393 CarbonylContact C-O 3.56Å; V296-E393 VanDerWaalsContact CA-O 3.26Å; V296-E393 WeakPolarHBondContact CA-O 3.47Å; V296-E393 WeakPolarHBondContact CB-O 3.08Å; V296-I405 HydrophobicContact CG1-CB 4.5Å; V296-I405 HydrophobicContact CG1-CD1 4.03Å; V296-I405 HydrophobicContact CG1-CG2 3.7Å
297R98.5Very high98Very high148 Ų14841.1 Ų41.156%0.55822%0.216SC*.EExtended strand (participates in β ladder)trans-116.8144.2169.866.7-179.4-177.3-163.8-1.3109.7C299 F392 E393 V395R297-C299 PolarHBondContact O-N 2.89Å; R297-F392 WeakPolarHBondContact O-CA 3.34Å; R297-E393 HydrophobicContact CG-CG 3.87Å; R297-E393 IonicContact CZ-OE1 3.48Å; R297-E393 PolarHBondContact N-O 2.89Å; R297-E393 IonicContact NE-OE1 2.71Å; R297-E393 PolarHBondContact NE-OE1 3.5Å; R297-E393 IonicContact NH2-OE1 3.43Å; R297-E393 PolarHBondContact NH2-OE1 3.29Å; R297-E393 PolarHBondContact O-N 3.27Å; R297-E393 VanDerWaalsContact O-N 3.09Å; R297-V395 HydrophobicContact CB-CG1 3.97Å; R297-V395 HydrophobicContact CG-CG1 4.27Å
298K98.4Very high98Very high105 Ų10541.2 Ų41.246%0.45722%0.216SC..EExtended strand (participates in β ladder)trans-66.9121.8168.8-177.6173.8-180161.20108.8Q301 D390 L391 F392K298-Q301 VanDerWaalsContact CE-CG 3.45Å; K298-D390 HydrophobicContact CD-CB 4.38Å; K298-D390 WeakPolarHBondContact CD-OD2 3.47Å; K298-D390 VanDerWaalsContact CE-CG 3.41Å; K298-D390 VanDerWaalsContact CE-OD1 3.3Å; K298-D390 WeakPolarHBondContact CE-OD1 3.3Å; K298-D390 WeakPolarHBondContact CE-OD2 3.41Å; K298-D390 IonicContact NZ-OD1 2.74Å; K298-D390 PolarHBondContact NZ-OD1 3.34Å; K298-D390 IonicContact NZ-OD2 3.74Å; K298-D390 PolarHBondContact NZ-OD2 3.49Å; K298-L391 CarbonylContact C-O 3.37Å; K298-L391 WeakPolarHBondContact CA-O 3.47Å; K298-F392 HydrophobicContact CB-CD1 4.23Å; K298-F392 HydrophobicContact CB-CE1 3.95Å
299C97.3Very high98Very high70 Ų7040.2 Ų40.247%0.47321%0.211SC..EExtended strand (participates in β ladder)trans-110.9-6.2178.261.40000113.2R297 L391 E393R297-C299 PolarHBondContact O-N 2.89Å; C299-L391 PolarHBondContact N-O 2.82Å; C299-L391 PolarHBondContact SG-O 2.96Å; C299-E393 HydrophobicContact CB-CG 3.96Å
300G97.6Very high98Very high23 Ų2341.6 Ų41.624%0.23722%0.218CC..EExtended strand (participates in β ladder)trans172.6-164.617600000112.5L391G300-L391 PolarHBondContact N-O 3.3Å; G300-L391 PolarHBondContact O-N 3.32Å
301Q98.2Very high98.1Very high63 Ų6341.7 Ų41.729%0.29421%0.213SC..EExtended strand (participates in β ladder)trans-142.3154.9170.1-60.4-174.3-8500109.5K298 T361 V362 A389 D390K298-Q301 VanDerWaalsContact CE-CG 3.45Å; Q301-T361 WeakPolarHBondContact O-CA 3.45Å; Q301-V362 HydrophobicContact CB-CB 3.9Å; Q301-V362 HydrophobicContact CB-CG2 3.76Å; Q301-V362 PolarHBondContact O-N 2.69Å; Q301-A389 CarbonylContact C-O 3.56Å; Q301-A389 VanDerWaalsContact CA-O 3.25Å; Q301-A389 WeakPolarHBondContact CA-O 3.28Å; Q301-D390 VanDerWaalsContact CG-OD1 3.3Å; Q301-D390 WeakPolarHBondContact CG-OD1 3.35Å; Q301-D390 PolarHBondContact NE2-OD1 2.86Å
302V98.2Very high98.1Very high1 Ų142.2 Ų42.21%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-126.5138175.855.60000109.1R304 V388 A389 L391 A411V302-R304 HydrophobicContact CG2-CG 4.1Å; V302-V388 WeakPolarHBondContact O-CA 3.47Å; V302-A389 HydrophobicContact CG1-CB 4.11Å; V302-A389 PolarHBondContact N-O 3.2Å; V302-A389 PolarHBondContact O-N 3.16Å; V302-L391 HydrophobicContact CB-CD1 4.37Å; V302-L391 HydrophobicContact CB-CD2 4.24Å; V302-L391 HydrophobicContact CB-CG 4.39Å; V302-L391 HydrophobicContact CG1-CD2 3.67Å; V302-L391 HydrophobicContact CG1-CG 4.16Å; V302-A411 HydrophobicContact CG2-CB 3.71Å
303V98.6Very high98.1Very high0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-111.4135.817357.20000109.1A359 T360 V362 P367 L371 S387 V388V303-A359 VanDerWaalsContact O-CA 3.3Å; V303-A359 WeakPolarHBondContact O-CA 3.3Å; V303-T360 HydrophobicContact CG1-CG2 3.77Å; V303-T360 PolarHBondContact N-O 3.33Å; V303-T360 PolarHBondContact O-N 2.96Å; V303-T360 VanDerWaalsContact O-N 3.09Å; V303-V362 HydrophobicContact CB-CG2 3.88Å; V303-V362 HydrophobicContact CG1-CG2 3.94Å; V303-P367 HydrophobicContact CB-CB 3.81Å; V303-P367 HydrophobicContact CG1-CB 4.14Å; V303-P367 WeakPolarHBondContact CG1-O 3.24Å; V303-P367 HydrophobicContact CG2-CB 3.84Å; V303-L371 HydrophobicContact CG1-CD2 4Å; V303-L371 HydrophobicContact CG1-CG 4.14Å; V303-L371 HydrophobicContact CG2-CD1 3.84Å; V303-L371 HydrophobicContact CG2-CG 4.19Å; V303-S387 WeakPolarHBondContact CA-O 3.5Å; V303-V388 HydrophobicContact CB-CG2 4.19Å; V303-V388 HydrophobicContact CG2-CG2 3.94Å
304R98.6Very high98.1Very high11 Ų1140.1 Ų40.14%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-132.6141.7-178.8-59.1-173.5175.488.92.3110.3V302 L357 V358 A359 Y386 S387 Y409 D410V302-R304 HydrophobicContact CG2-CG 4.1Å; R304-L357 HydrophobicContact CB-CD1 4.05Å; R304-V358 CarbonylContact C-O 3.54Å; R304-V358 WeakPolarHBondContact CA-O 3.38Å; R304-A359 HydrophobicContact CB-CB 4.48Å; R304-A359 HydrophobicContact CG-CB 3.88Å; R304-Y386 CarbonylContact O-C 3.6Å; R304-Y386 WeakPolarHBondContact O-CA 3.42Å; R304-S387 PolarHBondContact N-O 2.94Å; R304-S387 PolarHBondContact O-N 3.06Å; R304-Y409 PolarHBondContact NH2-O 3.5Å; R304-D410 PolarHBondContact NH2-O 2.84Å
305A98.7Very high97.9Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-122115.7167.300000109.5L357 V358 L371 L375 I384 F385 Y386A305-L357 CarbonylContact O-C 3.59Å; A305-L357 WeakPolarHBondContact O-CA 3.28Å; A305-V358 PolarHBondContact N-O 3.25Å; A305-V358 PolarHBondContact O-N 3.02Å; A305-L371 HydrophobicContact CB-CD1 3.5Å; A305-L371 VanDerWaalsContact CB-CD1 3.5Å; A305-L375 HydrophobicContact CB-CD2 4.13Å; A305-I384 HydrophobicContact CB-CD1 3.87Å; A305-I384 HydrophobicContact CB-CG1 3.97Å; A305-F385 CarbonylContact C-O 3.41Å; A305-F385 VanDerWaalsContact CA-O 3.28Å; A305-F385 WeakPolarHBondContact CA-O 3.25Å; A305-Y386 HydrophobicContact CB-CD1 3.92Å; A305-Y386 HydrophobicContact CB-CE1 3.85Å
306I98.6Very high97.7Very high3 Ų336.4 Ų36.42%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-87.4121.4167.8-58.4169.5000107F56 V73 L75 V355 V356 L357 I384 F385F56-I306 HydrophobicContact CE2-CD1 4.28Å; F56-I306 HydrophobicContact CZ-CD1 4.16Å; V73-I306 HydrophobicContact CG1-CD1 4.43Å; V73-I306 HydrophobicContact CG1-CG2 3.79Å; L75-I306 HydrophobicContact CD2-CD1 4Å; I306-V355 HydrophobicContact CG2-CG1 4.21Å; I306-V356 CarbonylContact C-O 3.41Å; I306-L357 HydrophobicContact CG1-CD1 3.68Å; I306-I384 CarbonylContact O-C 3.46Å; I306-I384 WeakPolarHBondContact O-CA 3.11Å; I306-F385 HydrophobicContact CB-CB 4.29Å; I306-F385 HydrophobicContact CB-CD2 4.14Å; I306-F385 HydrophobicContact CG2-CD2 4.2Å; I306-F385 PolarHBondContact N-O 3.46Å; I306-F385 WeakPolarHBondContact O-CD2 3.49Å; I306-F385 PolarHBondContact O-N 2.96Å
307C98.8Very high97.3Very high0 Ų043.9 Ų43.90%022%0.22CC..EExtended strand (participates in β ladder)trans-116.7132.9-175.3-54.70000109.6L309 V356 L375 L378 I381 H383C307-L309 HydrophobicContact CB-CD2 4.4Å; C307-V356 HydrophobicContact CB-CB 4.26Å; C307-V356 PolarHBondContact N-O 3.4Å; C307-V356 PolarHBondContact O-N 2.87Å; C307-L375 VanDerWaalsContact SG-CD2 3.57Å; C307-L378 HydrophobicContact CB-CD1 3.92Å; C307-I381 HydrophobicContact CB-CG2 4.06Å; C307-H383 CarbonylContact C-O 3.6Å; C307-H383 WeakPolarHBondContact CA-O 3.34Å
308I98.5Very high97Very high1 Ų142.6 Ų42.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-99.6122.4169.8-61.5177.3000108L49 F53 F65 W71 F353 E382 H383 F385L49-I308 HydrophobicContact CD1-CD1 4.08Å; F53-I308 HydrophobicContact CE2-CD1 4.3Å; F65-I308 HydrophobicContact CD1-CG2 4.02Å; F65-I308 HydrophobicContact CE1-CB 4.47Å; F65-I308 HydrophobicContact CE1-CD1 4.46Å; F65-I308 HydrophobicContact CE1-CG2 3.72Å; W71-I308 HydrophobicContact CH2-CD1 4.3Å; W71-I308 HydrophobicContact CH2-CG2 3.64Å; W71-I308 HydrophobicContact CZ3-CD1 4.05Å; W71-I308 HydrophobicContact CZ3-CG1 4.18Å; W71-I308 HydrophobicContact CZ3-CG2 4.03Å; I308-F353 HydrophobicContact CG2-CD1 3.96Å; I308-E382 HydrophobicContact CG2-CB 4.47Å; I308-E382 WeakPolarHBondContact O-CB 3.43Å; I308-E382 PolarHBondContact O-N 2.98Å; I308-H383 PolarHBondContact N-O 3.18Å; I308-H383 PolarHBondContact O-N 3.39Å; I308-F385 HydrophobicContact CD1-CE2 3.94Å; I308-F385 HydrophobicContact CD1-CZ 4.44Å; I308-F385 HydrophobicContact CG1-CE2 4.3Å
309L98.6Very high96.9Very high0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-113.3155172.2-40179.9000109.6C307 I313 F353 F354 V356 L378 I381C307-L309 HydrophobicContact CB-CD2 4.4Å; L309-I313 HydrophobicContact CD1-CG1 3.94Å; L309-F353 CarbonylContact O-C 3.53Å; L309-F353 WeakPolarHBondContact O-CA 3.49Å; L309-F353 WeakPolarHBondContact O-CD1 3.38Å; L309-F354 HydrophobicContact CB-CB 4.17Å; L309-F354 PolarHBondContact N-O 3.04Å; L309-F354 PolarHBondContact O-N 2.71Å; L309-V356 HydrophobicContact CD1-CG2 3.68Å; L309-V356 HydrophobicContact CG-CG2 4.03Å; L309-L378 HydrophobicContact CD1-CB 4.15Å; L309-L378 HydrophobicContact CD2-CB 4.14Å; L309-I381 HydrophobicContact CD2-CB 4.17Å; L309-I381 HydrophobicContact CD2-CG1 3.81Å; L309-I381 HydrophobicContact CD2-CG2 4.26Å
310N97.6Very high96.9Very high42 Ų4237 Ų3723%0.22520%0.195CC..SBendtrans-113.919.5172.666.47.9000112.5K352 F353 E382N310-K352 CarbonylContact C-O 3.59Å; N310-K352 VanDerWaalsContact C-O 3.23Å; N310-K352 WeakPolarHBondContact CA-O 3.49Å; N310-K352 HydrophobicContact CB-CG 4.42Å; N310-F353 HydrophobicContact CB-CD1 4.12Å; N310-F353 HydrophobicContact CB-CE1 3.91Å; N310-E382 HydrophobicContact CB-CG 4.01Å; N310-E382 WeakPolarHBondContact ND2-CG 3.38Å; N310-E382 PolarHBondContact ND2-OE1 2.91Å
311H97.9Very high96.9Very high50 Ų5035.9 Ų35.923%0.23118%0.184CC..SBendtrans-151.2155.91786277.3000109.3F354 L378 R380H311-F354 VanDerWaalsContact C-CD2 3.46Å; H311-F354 WeakPolarHBondContact O-CD2 3.35Å; H311-L378 PolarHBondContact CE1-O 3.42Å; H311-R380 PolarHBondContact NE2-N 2.86Å; H311-R380 VanDerWaalsContact NE2-N 3.15Å; H311-R380 PolarHBondContact NE2-O 2.96Å
312P97.6Very high96.8Very high34 Ų3432.9 Ų32.922%0.22117%0.17CC..PPolyproline II helixtrans-58.8154.4171.8-17.327.7000111.1N318 F354P312-N318 HydrophobicContact CB-CB 4.43Å; P312-N318 HydrophobicContact CG-CB 4.14Å; P312-F354 HydrophobicContact CB-CE1 4.16Å; P312-F354 HydrophobicContact CB-CZ 3.9Å; P312-F354 HydrophobicContact CG-CE1 4.4Å; P312-F354 HydrophobicContact CG-CE2 4.15Å; P312-F354 HydrophobicContact CG-CZ 3.67Å; P312-F354 VanDerWaalsContact N-CE2 3.35Å
313I98.1Very high96.7Very high1 Ų132.9 Ų32.91%0.00517%0.17CC..PPolyproline II helixtrans-57133.8171.4-61.7175.1000108.3L309 I316 I324 V339 C341 V356 L377 L378L309-I313 HydrophobicContact CD1-CG1 3.94Å; I313-I316 HydrophobicContact CB-CD1 3.63Å; I313-I316 HydrophobicContact CB-CG1 3.84Å; I313-I316 HydrophobicContact CD1-CD1 4.45Å; I313-I316 HydrophobicContact CG1-CD1 4.36Å; I313-I316 HydrophobicContact CG2-CD1 4.39Å; I313-I316 HydrophobicContact CG2-CG1 4.33Å; I313-I316 HydrophobicContact CG2-CG2 4.46Å; I313-I316 WeakPolarHBondContact O-CG1 3.49Å; I313-I324 HydrophobicContact CD1-CD1 4.31Å; I313-I324 HydrophobicContact CG2-CD1 4.27Å; I313-V339 HydrophobicContact CD1-CG1 4.4Å; I313-C341 HydrophobicContact CD1-CB 3.75Å; I313-V356 HydrophobicContact CD1-CG1 4.16Å; I313-V356 HydrophobicContact CD1-CG2 4.12Å; I313-V356 HydrophobicContact CG1-CG2 4.34Å; I313-L377 WeakPolarHBondContact CG2-O 3.35Å; I313-L378 HydrophobicContact CD1-CD2 3.76Å; I313-L378 HydrophobicContact CG1-CD2 3.97Å; I313-L378 HydrophobicContact CG2-CD2 4.37Å
314P97.2Very high96.6Very high48 Ų4832.9 Ų32.931%0.31217%0.17SC..THydrogen-bonded Turntrans-54.6149.5174.1-29.134000113.5I115 I316 L377I115-P314 WeakPolarHBondContact CD1-O 3.47Å; P314-I316 PolarHBondContact O-N 3.35Å; P314-I316 VanDerWaalsContact O-N 3.12Å; P314-L377 WeakPolarHBondContact CD-O 3.39Å
315N93.4Very high96.5Very high145 Ų14532.4 Ų32.478%0.77517%0.168SC*.THydrogen-bonded Turntrans63.410.3173.3-53.3-46.9000116.8I115I115-N315 HydrophobicContact CD1-CB 3.8Å; I115-N315 HydrophobicContact CG1-CB 4.06Å
316I92.6Very high96.4Very high0 Ų032.4 Ų32.40%017%0.168CC..SBendtrans-107.333.317362.4158.9000113.6Y108 I115 I313 P314 N318 A319 S322 I324Y108-I316 HydrophobicContact CD1-CG2 4.18Å; Y108-I316 HydrophobicContact CD2-CB 4.36Å; Y108-I316 HydrophobicContact CD2-CG2 3.79Å; Y108-I316 HydrophobicContact CE1-CB 4.21Å; Y108-I316 HydrophobicContact CE1-CG2 3.98Å; Y108-I316 HydrophobicContact CE2-CB 3.57Å; Y108-I316 HydrophobicContact CE2-CG2 3.51Å; Y108-I316 HydrophobicContact CG-CG2 4.14Å; Y108-I316 WeakPolarHBondContact OH-CA 3.29Å; Y108-I316 PolarHBondContact OH-O 3.39Å; I115-I316 HydrophobicContact CD1-CG2 3.35Å; I115-I316 HydrophobicContact CG1-CG2 4.46Å; I313-I316 HydrophobicContact CB-CD1 3.63Å; I313-I316 HydrophobicContact CB-CG1 3.84Å; I313-I316 HydrophobicContact CD1-CD1 4.45Å; I313-I316 HydrophobicContact CG1-CD1 4.36Å; I313-I316 HydrophobicContact CG2-CD1 4.39Å; I313-I316 HydrophobicContact CG2-CG1 4.33Å; I313-I316 HydrophobicContact CG2-CG2 4.46Å; I313-I316 WeakPolarHBondContact O-CG1 3.49Å; P314-I316 PolarHBondContact O-N 3.35Å; P314-I316 VanDerWaalsContact O-N 3.12Å; I316-N318 PolarHBondContact O-N 3.13Å; I316-A319 HydrophobicContact CD1-CB 4.14Å; I316-A319 WeakPolarHBondContact O-CB 3.45Å; I316-A319 PolarHBondContact O-N 2.92Å; I316-S322 WeakPolarHBondContact CD1-OG 3.24Å; I316-I324 HydrophobicContact CG2-CD1 4.33Å
317K90.3Very high96.1Very high176 Ų17632.2 Ų32.277%0.76517%0.167SC*.THydrogen-bonded Turntrans52.433.3176.4-57.6-177.6179.11790114.7A319K317-A319 PolarHBondContact O-N 2.86Å
318N92.3Very high95.8Very high122 Ų12233.8 Ų33.865%0.65218%0.175SC*.THydrogen-bonded Turntrans58.327-177-54.9-37.9000114.5P312 I316 L320P312-N318 HydrophobicContact CB-CB 4.43Å; P312-N318 HydrophobicContact CG-CB 4.14Å; I316-N318 PolarHBondContact O-N 3.13Å; N318-L320 PolarHBondContact O-N 3.03Å
319A95.4Very high95.4Very high5 Ų537 Ų374%0.04119%0.191CC..  trans-57.9138174.700000111E105 E106 I316 K317E105-A319 HydrophobicContact CB-CB 4.35Å; E105-A319 WeakPolarHBondContact OE2-CA 3.39Å; E106-A319 HydrophobicContact CB-CB 4.01Å; E106-A319 HydrophobicContact CG-CB 3.56Å; I316-A319 HydrophobicContact CD1-CB 4.14Å; I316-A319 WeakPolarHBondContact O-CB 3.45Å; I316-A319 PolarHBondContact O-N 2.92Å; K317-A319 PolarHBondContact O-N 2.86Å
320L97.4Very high95Very high52 Ų5239.5 Ų39.527%0.27220%0.203SC..SBendtrans-84.2-15.4-176.6-63178.4000112.6E105 N318 S343 P345 F354E105-L320 PolarHBondContact OE2-N 2.89Å; N318-L320 PolarHBondContact O-N 3.03Å; L320-S343 WeakPolarHBondContact O-CB 3.19Å; L320-S343 PolarHBondContact O-OG 2.97Å; L320-P345 HydrophobicContact CB-CG 3.94Å; L320-P345 HydrophobicContact CD1-CG 3.66Å; L320-P345 HydrophobicContact CG-CG 4.4Å; L320-F354 HydrophobicContact CD2-CE1 4.1Å; L320-F354 HydrophobicContact CD2-CZ 3.89Å
321S97.8Very high94.8Very high0 Ų039.5 Ų39.50%020%0.204CC..SBendtrans-150.4147.2166.853.60000110.7I104 E105 E106 C341 H346I104-S321 WeakPolarHBondContact CA-OG 3.08Å; E105-S321 WeakPolarHBondContact CB-O 3.27Å; E105-S321 PolarHBondContact N-O 2.89Å; E105-S321 PolarHBondContact N-OG 2.91Å; E106-S321 PolarHBondContact N-O 3.13Å; S321-C341 CarbonylContact C-O 3.5Å; S321-C341 WeakPolarHBondContact CA-O 3.41Å; S321-C341 WeakPolarHBondContact CB-O 2.76Å; S321-H346 WeakPolarHBondContact CB-CE1 3.34Å; S321-H346 PolarHBondContact OG-CE1 2.98Å; S321-H346 PolarHBondContact OG-NE2 3.39Å
322S97.2Very high94.6Very high0 Ų040.7 Ų40.70%023%0.231CC..EExtended strand (participates in β ladder)trans-156.7154.5-178.464.10000113.8E106 I316 C341E106-S322 CarbonylContact O-C 3.56Å; E106-S322 WeakPolarHBondContact O-CA 3.34Å; I316-S322 WeakPolarHBondContact CD1-OG 3.24Å; S322-C341 PolarHBondContact N-O 3.35Å; S322-C341 PolarHBondContact O-N 3.25Å; S322-C341 WeakPolarHBondContact OG-CB 3.35Å
323Q96.7Very high94.4Very high0 Ų040.4 Ų40.40%023%0.225CC..EExtended strand (participates in β ladder)trans-103.9137.6159.7-166.3-1723600109.3F79 E106 S107 Y108 Y229 I325 V339 T413F79-Q323 HydrophobicContact CD2-CB 4.13Å; F79-Q323 HydrophobicContact CD2-CG 4.33Å; F79-Q323 HydrophobicContact CE2-CB 3.81Å; F79-Q323 HydrophobicContact CE2-CG 4.24Å; E106-Q323 PolarHBondContact O-N 2.88Å; S107-Q323 CarbonylContact C-O 3.59Å; S107-Q323 WeakPolarHBondContact CA-O 3.41Å; S107-Q323 PolarHBondContact OG-OE1 3.11Å; Y108-Q323 PolarHBondContact N-O 3.4Å; Y229-Q323 HydrophobicContact CE2-CB 4.47Å; Y229-Q323 PolarHBondContact OH-OE1 2.78Å; Q323-I325 HydrophobicContact CG-CG1 4.36Å; Q323-V339 CarbonylContact C-O 3.57Å; Q323-V339 WeakPolarHBondContact CA-O 3.21Å; Q323-T413 WeakPolarHBondContact CG-OG1 3.2Å; Q323-T413 PolarHBondContact NE2-OG1 3.14Å
324I96.5Very high94.1Very high0 Ų047.8 Ų47.80%025%0.253CS..EExtended strand (participates in β ladder)trans-127.3127.4166.4-40.9179.5000108Y108 I115 I313 I316 V339 L377Y108-I324 HydrophobicContact CD2-CG1 4.39Å; Y108-I324 WeakPolarHBondContact O-CA 3.48Å; I115-I324 HydrophobicContact CG2-CG2 4.04Å; I313-I324 HydrophobicContact CD1-CD1 4.31Å; I313-I324 HydrophobicContact CG2-CD1 4.27Å; I316-I324 HydrophobicContact CG2-CD1 4.33Å; I324-V339 HydrophobicContact CB-CB 3.91Å; I324-V339 HydrophobicContact CB-CG2 4.28Å; I324-V339 HydrophobicContact CG1-CB 4.31Å; I324-V339 PolarHBondContact N-O 3.43Å; I324-V339 PolarHBondContact O-N 2.68Å; I324-L377 HydrophobicContact CD1-CD1 4.4Å; I324-L377 HydrophobicContact CG2-CD1 4.24Å
325I96Very high94Very high1 Ų148.6 Ų48.61%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-108.1129.9172.6-62.8175.4000108.2Y108 V109 F110 H191 L195 Q323 P327 D336 Y338Y108-I325 PolarHBondContact O-N 3.42Å; V109-I325 CarbonylContact C-O 3.59Å; V109-I325 WeakPolarHBondContact CA-O 3.42Å; F110-I325 PolarHBondContact N-O 3.15Å; H191-I325 HydrophobicContact CB-CG2 4.41Å; H191-I325 WeakPolarHBondContact O-CD1 3.41Å; L195-I325 HydrophobicContact CD2-CD1 3.68Å; Q323-I325 HydrophobicContact CG-CG1 4.36Å; I325-P327 WeakPolarHBondContact O-CD 3.25Å; I325-D336 HydrophobicContact CG2-CB 4.46Å; I325-Y338 HydrophobicContact CG1-CD1 4.12Å; I325-Y338 HydrophobicContact CG1-CE1 4.5Å
326I95.7Very high94Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-109.2101.1174.3-52.7176.5000107.1F110 V331 D336 I337 P373 L377F110-I326 HydrophobicContact CB-CB 4.19Å; F110-I326 HydrophobicContact CB-CG1 3.88Å; F110-I326 HydrophobicContact CB-CG2 4.12Å; F110-I326 HydrophobicContact CD1-CG2 3.93Å; F110-I326 HydrophobicContact CG-CG1 4.41Å; F110-I326 HydrophobicContact CG-CG2 4.19Å; I326-V331 HydrophobicContact CG2-CG1 3.66Å; I326-V331 HydrophobicContact CG2-CG2 4.12Å; I326-D336 WeakPolarHBondContact O-CA 3.44Å; I326-I337 HydrophobicContact CB-CB 4.08Å; I326-I337 HydrophobicContact CD1-CB 4.28Å; I326-I337 HydrophobicContact CD1-CG2 4.33Å; I326-I337 PolarHBondContact N-O 3.26Å; I326-I337 PolarHBondContact O-N 2.92Å; I326-P373 HydrophobicContact CD1-CB 4.22Å; I326-L377 HydrophobicContact CD1-CD1 3.89Å; I326-L377 HydrophobicContact CG1-CD1 4.43Å
327P93.2Very high94.2Very high0 Ų041.7 Ų41.70%022%0.216CC..  trans-60.5139.2-179.4-23.534.5000111.8V109 F110 T187 H191 I325 N329 Q330 D336V109-P327 HydrophobicContact CG2-CG 3.78Å; F110-P327 VanDerWaalsContact O-CD 3.3Å; F110-P327 WeakPolarHBondContact O-CD 3.23Å; T187-P327 HydrophobicContact CG2-CB 3.89Å; T187-P327 HydrophobicContact CG2-CG 3.66Å; H191-P327 HydrophobicContact CB-CG 4.36Å; I325-P327 WeakPolarHBondContact O-CD 3.25Å; P327-N329 PolarHBondContact O-N 2.84Å; P327-N329 VanDerWaalsContact O-N 3.14Å; P327-Q330 HydrophobicContact CB-CG 4.13Å; P327-Q330 HydrophobicContact CG-CG 4.34Å; P327-Q330 WeakPolarHBondContact O-CB 3.46Å; P327-Q330 PolarHBondContact O-N 2.9Å; P327-D336 VanDerWaalsContact CA-OD1 3.31Å; P327-D336 WeakPolarHBondContact CA-OD1 3.5Å
328Q91.8Very high94.6Very high33 Ų3333.9 Ų33.915%0.15418%0.181CC..G310 helixtrans-52.1-38.5-175.756.584.327.800114Q330 V331 G332 R333 H335 D336Q328-Q330 VanDerWaalsContact C-N 3.28Å; Q328-Q330 PolarHBondContact O-N 3.43Å; Q328-V331 PolarHBondContact O-N 2.58Å; Q328-G332 PolarHBondContact O-N 3.31Å; Q328-G332 VanDerWaalsContact O-N 3.11Å; Q328-R333 HydrophobicContact CB-CB 4.2Å; Q328-R333 PolarHBondContact O-N 3.18Å; Q328-R333 PolarHBondContact OE1-O 3.36Å; Q328-H335 VanDerWaalsContact CB-C 3.49Å; Q328-D336 PolarHBondContact N-OD1 3.14Å
329N89.4Confident94.9Very high67 Ų6728 Ų2836%0.35815%0.15SC..G310 helixtrans-70.9-20.4-178.659.411.8000113.6P327 V331P327-N329 PolarHBondContact O-N 2.84Å; P327-N329 VanDerWaalsContact O-N 3.14Å; N329-V331 VanDerWaalsContact C-N 3.28Å
330Q91.4Very high95Very high54 Ų5427.9 Ų27.925%0.25215%0.149SC..G310 helixtrans-77-19177.6-60.8-67.7-39.800112.4F110 D111 P327 Q328F110-Q330 HydrophobicContact CD1-CB 4.03Å; F110-Q330 HydrophobicContact CE1-CB 4.33Å; D111-Q330 PolarHBondContact OD1-NE2 3.19Å; D111-Q330 PolarHBondContact OD1-OE1 3.35Å; P327-Q330 HydrophobicContact CB-CG 4.13Å; P327-Q330 HydrophobicContact CG-CG 4.34Å; P327-Q330 WeakPolarHBondContact O-CB 3.46Å; P327-Q330 PolarHBondContact O-N 2.9Å; Q328-Q330 VanDerWaalsContact C-N 3.28Å; Q328-Q330 PolarHBondContact O-N 3.43Å
331V93.8Very high95.1Very high41 Ų4125.4 Ų25.425%0.24814%0.136CC..THydrogen-bonded Turntrans-129.213.7-172.8-66.40000112.9F110 I326 Q328 N329 R333 I337 P373F110-V331 HydrophobicContact CE1-CG1 4.46Å; I326-V331 HydrophobicContact CG2-CG1 3.66Å; I326-V331 HydrophobicContact CG2-CG2 4.12Å; Q328-V331 PolarHBondContact O-N 2.58Å; N329-V331 VanDerWaalsContact C-N 3.28Å; V331-R333 HydrophobicContact CG2-CB 4.26Å; V331-R333 HydrophobicContact CG2-CG 3.89Å; V331-R333 PolarHBondContact O-N 2.81Å; V331-I337 HydrophobicContact CG2-CD1 4.29Å; V331-P373 HydrophobicContact CB-CB 4.5Å; V331-P373 HydrophobicContact CB-CG 4.18Å; V331-P373 HydrophobicContact CG1-CB 3.76Å; V331-P373 HydrophobicContact CG1-CG 3.94Å
332G92.9Very high95.1Very high76 Ų7625.7 Ų25.778%0.78414%0.138SC*.THydrogen-bonded Turntrans65.234.3175.500000114.3Q328Q328-G332 PolarHBondContact O-N 3.31Å; Q328-G332 VanDerWaalsContact O-N 3.11Å
333R93.9Very high95.2Very high27 Ų2725.7 Ų25.710%0.10214%0.138CC..  trans-107.9-176.9179.5-67.3179.956.673.3-3.7111.1Q328 V331 H335 T360 T361 E363 E370Q328-R333 HydrophobicContact CB-CB 4.2Å; Q328-R333 PolarHBondContact O-N 3.18Å; Q328-R333 PolarHBondContact OE1-O 3.36Å; V331-R333 HydrophobicContact CG2-CB 4.26Å; V331-R333 HydrophobicContact CG2-CG 3.89Å; V331-R333 PolarHBondContact O-N 2.81Å; R333-H335 PolarHBondContact NE-O 2.99Å; R333-T360 PolarHBondContact NH2-OG1 3.03Å; R333-T361 PolarHBondContact NH2-O 3.33Å; R333-E363 IonicContact CZ-OE1 3.86Å; R333-E363 IonicContact NH2-OE1 3.19Å; R333-E370 IonicContact CZ-OE2 3.23Å; R333-E370 VanDerWaalsContact NH1-CD 3.26Å; R333-E370 IonicContact NH1-OE2 2.59Å; R333-E370 PolarHBondContact NH1-OE2 3.37Å; R333-E370 IonicContact NH2-OE2 3.75Å; R333-E370 PolarHBondContact NH2-OE2 3.16Å
334R92.1Very high95.2Very high156 Ų15628.4 Ų28.459%0.58915%0.15SC*.SBendtrans-107.3-22.7167.4-60.9175.4-70.7175.4-0.2112.8E363R334-E363 WeakPolarHBondContact CA-OE1 3.14Å; R334-E363 WeakPolarHBondContact CB-OE1 3.16Å; R334-E363 WeakPolarHBondContact CB-OE2 3.37Å; R334-E363 WeakPolarHBondContact CG-OE2 3.32Å; R334-E363 IonicContact CZ-OE2 3.88Å; R334-E363 PolarHBondContact N-OE1 3.48Å; R334-E363 PolarHBondContact N-OE2 2.92Å; R334-E363 VanDerWaalsContact N-OE2 3.15Å; R334-E363 IonicContact NE-OE2 3.49Å; R334-E363 PolarHBondContact NE-OE2 2.84Å; R334-E363 IonicContact NH2-OE2 2.84Å
335H93.5Very high95.2Very high65 Ų6529.2 Ų29.230%0.30116%0.155SC..SBendtrans-122142.6177.5-52.385.6000111.5Q328 R333 E363Q328-H335 VanDerWaalsContact CB-C 3.49Å; R333-H335 PolarHBondContact NE-O 2.99Å; H335-E363 IonicContact CE1-OE1 3.57Å; H335-E363 IonicContact CG-OE1 3.61Å; H335-E363 PolarHBondContact N-OE1 3.35Å; H335-E363 IonicContact ND1-OE1 3.35Å; H335-E363 PolarHBondContact ND1-OE1 2.77Å
336D94.6Very high95.3Very high1 Ų129.2 Ų29.21%0.00516%0.155CC..  trans-60.9156.8177.3-63.8-9.2000111.8H191 I325 I326 P327 Q328 Y338 T360H191-D336 IonicContact CE1-OD1 2.87Å; H191-D336 IonicContact CE1-OD2 3.66Å; H191-D336 IonicContact CG-OD2 3.79Å; H191-D336 IonicContact ND1-OD1 3.56Å; H191-D336 PolarHBondContact ND1-OD1 3.14Å; H191-D336 IonicContact ND1-OD2 2.95Å; H191-D336 PolarHBondContact ND1-OD2 3.27Å; I325-D336 HydrophobicContact CG2-CB 4.46Å; I326-D336 WeakPolarHBondContact O-CA 3.44Å; P327-D336 VanDerWaalsContact CA-OD1 3.31Å; P327-D336 WeakPolarHBondContact CA-OD1 3.5Å; Q328-D336 PolarHBondContact N-OD1 3.14Å; D336-Y338 HydrophobicContact CB-CE1 4.33Å; D336-Y338 HydrophobicContact CB-CE2 3.98Å; D336-T360 PolarHBondContact O-OG1 3.24Å
337I97.2Very high95.4Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-106.1132.2167.9-55.4162.9000107.6I326 V331 V358 A359 T360 E370 P373I326-I337 HydrophobicContact CB-CB 4.08Å; I326-I337 HydrophobicContact CD1-CB 4.28Å; I326-I337 HydrophobicContact CD1-CG2 4.33Å; I326-I337 PolarHBondContact N-O 3.26Å; I326-I337 PolarHBondContact O-N 2.92Å; V331-I337 HydrophobicContact CG2-CD1 4.29Å; I337-V358 HydrophobicContact CG2-CG1 3.66Å; I337-A359 WeakPolarHBondContact CA-O 3.44Å; I337-T360 HydrophobicContact CG1-CG2 4.27Å; I337-E370 VanDerWaalsContact CD1-O 3.29Å; I337-E370 WeakPolarHBondContact CD1-O 3.37Å; I337-P373 HydrophobicContact CD1-CB 3.8Å; I337-P373 HydrophobicContact CD1-CG 3.67Å
338Y98Very high95.6Very high11 Ų1134.8 Ų34.84%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-111.3135.4-178-53.6-92.6000110.3T197 I325 D336 V358 A359 A411T197-Y338 WeakPolarHBondContact CG2-OH 3.27Å; I325-Y338 HydrophobicContact CG1-CD1 4.12Å; I325-Y338 HydrophobicContact CG1-CE1 4.5Å; D336-Y338 HydrophobicContact CB-CE1 4.33Å; D336-Y338 HydrophobicContact CB-CE2 3.98Å; Y338-V358 CarbonylContact O-C 3.6Å; Y338-V358 WeakPolarHBondContact O-CA 3.46Å; Y338-A359 PolarHBondContact N-O 3.11Å; Y338-A359 PolarHBondContact O-N 3.17Å; Y338-A411 HydrophobicContact CD2-CB 4.13Å; Y338-A411 WeakPolarHBondContact CD2-O 3.47Å; Y338-A411 HydrophobicContact CE2-CB 4.33Å
339V98.5Very high95.9Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-119.8126.2172.6-170.90000109I313 Q323 I324 V356 L357 V358 L378I313-V339 HydrophobicContact CD1-CG1 4.4Å; Q323-V339 CarbonylContact C-O 3.57Å; Q323-V339 WeakPolarHBondContact CA-O 3.21Å; I324-V339 HydrophobicContact CB-CB 3.91Å; I324-V339 HydrophobicContact CB-CG2 4.28Å; I324-V339 HydrophobicContact CG1-CB 4.31Å; I324-V339 PolarHBondContact N-O 3.43Å; I324-V339 PolarHBondContact O-N 2.68Å; V339-V356 HydrophobicContact CG1-CG1 3.49Å; V339-V356 VanDerWaalsContact CG1-CG1 3.49Å; V339-L357 CarbonylContact C-O 3.51Å; V339-L357 WeakPolarHBondContact CA-O 3.34Å; V339-V358 HydrophobicContact CG1-CG2 4.36Å; V339-V358 HydrophobicContact CG2-CG1 4.32Å; V339-V358 HydrophobicContact CG2-CG2 4.29Å; V339-L378 HydrophobicContact CG1-CD2 4.23Å
340S98.2Very high96.3Very high2 Ų231.4 Ų31.41%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-117139.3167.551.80000109.6P77 F79 V356 L357P77-S340 WeakPolarHBondContact CG-OG 3.42Å; F79-S340 VanDerWaalsContact CZ-CB 3.45Å; S340-V356 CarbonylContact O-C 3.55Å; S340-V356 WeakPolarHBondContact O-CA 3.31Å; S340-V356 WeakPolarHBondContact O-CG1 3.25Å; S340-L357 PolarHBondContact N-O 3.07Å; S340-L357 PolarHBondContact O-N 3.16Å; S340-L357 WeakPolarHBondContact OG-CB 3.37Å
341C98.5Very high96.5Very high0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-131126.1179.81780000109I313 S321 S322 V356I313-C341 HydrophobicContact CD1-CB 3.75Å; S321-C341 CarbonylContact C-O 3.5Å; S321-C341 WeakPolarHBondContact CA-O 3.41Å; S321-C341 WeakPolarHBondContact CB-O 2.76Å; S322-C341 PolarHBondContact N-O 3.35Å; S322-C341 PolarHBondContact O-N 3.25Å; S322-C341 WeakPolarHBondContact OG-CB 3.35Å; C341-V356 HydrophobicContact CB-CG2 4.03Å
342V98.4Very high96.6Very high6 Ų640.4 Ų40.44%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-133.7156.9172.6-71.20000109.3F79 I104 Y231 V348 V355F79-V342 HydrophobicContact CE1-CG1 3.99Å; F79-V342 HydrophobicContact CZ-CG1 4.38Å; I104-V342 HydrophobicContact CD1-CG1 4.13Å; Y231-V342 HydrophobicContact CD1-CG1 4.07Å; Y231-V342 HydrophobicContact CD2-CG1 4.42Å; Y231-V342 HydrophobicContact CE1-CG1 4.13Å; Y231-V342 HydrophobicContact CE1-CG2 4.47Å; Y231-V342 HydrophobicContact CE2-CG1 4.43Å; Y231-V342 HydrophobicContact CG-CG1 4.19Å; V342-V348 HydrophobicContact CB-CG2 4.05Å; V342-V348 HydrophobicContact CG2-CG2 3.82Å; V342-V355 HydrophobicContact CG2-CB 4.26Å; V342-V355 PolarHBondContact N-O 2.95Å; V342-V355 PolarHBondContact O-N 2.92Å
343S98.3Very high96.9Very high0 Ų037.5 Ų37.50%017%0.165CC..EExtended strand (participates in β ladder)trans-151-169-176.568.40000111.7L320 P345 H346 V348 F353L320-S343 WeakPolarHBondContact O-CB 3.19Å; L320-S343 PolarHBondContact O-OG 2.97Å; S343-P345 VanDerWaalsContact C-N 3.28Å; S343-P345 VanDerWaalsContact O-CD 3.22Å; S343-P345 WeakPolarHBondContact O-CD 3.18Å; S343-P345 WeakPolarHBondContact OG-CD 3.37Å; S343-H346 PolarHBondContact O-N 3.2Å; S343-H346 PolarHBondContact O-ND1 3.17Å; S343-V348 WeakPolarHBondContact O-CG2 3.48Å; S343-F353 VanDerWaalsContact CB-O 3.25Å; S343-F353 WeakPolarHBondContact CB-O 3.46Å
344H97.5Very high97.1Very high57 Ų5736.5 Ų36.526%0.26416%0.162SC..G310 helixtrans-46.1-31-176.379.4-84.1000117.4H346 Y347 C349 E351H344-H346 PolarHBondContact O-N 3.39Å; H344-H346 VanDerWaalsContact O-N 3.11Å; H344-Y347 VanDerWaalsContact O-CD1 3.32Å; H344-Y347 WeakPolarHBondContact O-CD1 3.43Å; H344-Y347 PolarHBondContact O-N 3.23Å; H344-C349 VanDerWaalsContact CA-O 3.28Å; H344-C349 WeakPolarHBondContact CA-O 3.33Å; H344-C349 WeakPolarHBondContact CB-O 3.35Å; H344-E351 HydrophobicContact CB-CB 4.48Å
345P97.2Very high97.4Very high16 Ų1629.5 Ų29.510%0.10414%0.136CC..G310 helixtrans-65-17.3177.2-20.535.4000113.1K102 L320 S343K102-P345 HydrophobicContact CD-CB 4.01Å; K102-P345 WeakPolarHBondContact CD-O 3.48Å; K102-P345 VanDerWaalsContact CE-CB 3.46Å; K102-P345 WeakPolarHBondContact CE-O 3.32Å; K102-P345 VanDerWaalsContact NZ-CB 3.31Å; K102-P345 PolarHBondContact NZ-O 3.45Å; L320-P345 HydrophobicContact CB-CG 3.94Å; L320-P345 HydrophobicContact CD1-CG 3.66Å; L320-P345 HydrophobicContact CG-CG 4.4Å; S343-P345 VanDerWaalsContact C-N 3.28Å; S343-P345 VanDerWaalsContact O-CD 3.22Å; S343-P345 WeakPolarHBondContact O-CD 3.18Å; S343-P345 WeakPolarHBondContact OG-CD 3.37Å
346H97.7Very high97.7Very high2 Ų226.4 Ų26.41%0.00912%0.122CC..G310 helixtrans-97.93.2176.2-49.875.9000112.2Y231 Y234 S321 S343 H344 V348Y231-H346 HydrophobicContact CD1-CB 4.32Å; Y234-H346 PolarHBondContact N-O 3.3Å; S321-H346 WeakPolarHBondContact CB-CE1 3.34Å; S321-H346 PolarHBondContact OG-CE1 2.98Å; S321-H346 PolarHBondContact OG-NE2 3.39Å; S343-H346 PolarHBondContact O-N 3.2Å; S343-H346 PolarHBondContact O-ND1 3.17Å; H344-H346 PolarHBondContact O-N 3.39Å; H344-H346 VanDerWaalsContact O-N 3.11Å; H346-V348 HydrophobicContact CB-CG1 4.16Å; H346-V348 HydrophobicContact CB-CG2 4.32Å; H346-V348 PolarHBondContact O-N 2.85Å
347Y97.4Very high97.9Very high115 Ų11526.6 Ų26.645%0.45112%0.123SC..THydrogen-bonded Turntrans57.731.7-178.1-50.7-32.7000114.8N72 L233 Y234 H344N72-Y347 PolarHBondContact ND2-O 3.08Å; L233-Y347 HydrophobicContact CB-CD2 4.13Å; L233-Y347 HydrophobicContact CD1-CD2 4.04Å; L233-Y347 HydrophobicContact CD1-CE2 3.8Å; L233-Y347 HydrophobicContact CD2-CD2 4.33Å; L233-Y347 HydrophobicContact CG-CD2 4.41Å; Y234-Y347 HydrophobicContact CD1-CD2 4.25Å; Y234-Y347 HydrophobicContact CD1-CG 4.39Å; Y234-Y347 HydrophobicContact CD2-CD2 4.47Å; Y234-Y347 AromaticContact CE1-CD2 3.64Å; Y234-Y347 HydrophobicContact CE1-CD2 3.64Å; Y234-Y347 AromaticContact CE1-CG 3.97Å; Y234-Y347 HydrophobicContact CE1-CG 3.97Å; Y234-Y347 AromaticContact CE2-CD2 3.89Å; Y234-Y347 HydrophobicContact CE2-CD2 3.89Å; Y234-Y347 AromaticContact CZ-CD2 3.44Å; Y234-Y347 VanDerWaalsContact CZ-CD2 3.44Å; H344-Y347 VanDerWaalsContact O-CD1 3.32Å; H344-Y347 WeakPolarHBondContact O-CD1 3.43Å; H344-Y347 PolarHBondContact O-N 3.23Å
348V97.9Very high97.9Very high1 Ų126.6 Ų26.61%0.00612%0.123CC..SBendtrans-96.4-15.9177.9-64.10000113.6W71 N72 Y231 V342 S343 H346W71-V348 CarbonylContact C-O 3.54Å; W71-V348 WeakPolarHBondContact CA-O 3.31Å; N72-V348 PolarHBondContact N-O 3.42Å; N72-V348 WeakPolarHBondContact O-CB 3.36Å; Y231-V348 HydrophobicContact CE1-CG1 4.08Å; V342-V348 HydrophobicContact CB-CG2 4.05Å; V342-V348 HydrophobicContact CG2-CG2 3.82Å; S343-V348 WeakPolarHBondContact O-CG2 3.48Å; H346-V348 HydrophobicContact CB-CG1 4.16Å; H346-V348 HydrophobicContact CB-CG2 4.32Å; H346-V348 PolarHBondContact O-N 2.85Å
349C98.3Very high98Very high5 Ų526.1 Ų26.13%0.03412%0.121CC..SBendtrans-160.6165.2177.264.40000110.3D70 W71 H344 F353 V355D70-C349 CarbonylContact O-C 3.49Å; D70-C349 WeakPolarHBondContact O-CA 3.06Å; W71-C349 HydrophobicContact CD2-CB 3.94Å; W71-C349 HydrophobicContact CE3-CB 3.51Å; W71-C349 HydrophobicContact CH2-CB 4.09Å; W71-C349 HydrophobicContact CZ2-CB 4.45Å; W71-C349 HydrophobicContact CZ3-CB 3.6Å; H344-C349 VanDerWaalsContact CA-O 3.28Å; H344-C349 WeakPolarHBondContact CA-O 3.33Å; H344-C349 WeakPolarHBondContact CB-O 3.35Å; C349-F353 HydrophobicContact CB-CB 4.12Å; C349-F353 VanDerWaalsContact SG-C 3.53Å; C349-F353 PolarHBondContact SG-O 3.46Å; C349-V355 HydrophobicContact CB-CG2 4.14Å
350P97.9Very high97.9Very high24 Ų2426.1 Ų26.116%0.15612%0.121CC..  trans-60.9159.3173.3-19.530.1000113.2D70 W71 F353D70-P350 HydrophobicContact CB-CG 3.89Å; W71-P350 HydrophobicContact CZ2-CG 4.32Å; W71-P350 VanDerWaalsContact NE1-CD 3.31Å; P350-F353 HydrophobicContact CB-CD2 4.11Å; P350-F353 HydrophobicContact CG-CD2 4.34Å; P350-F353 PolarHBondContact O-N 2.87Å; P350-F353 VanDerWaalsContact O-N 3.15Å
351E94.8Very high97.9Very high156 Ų15627.4 Ų27.473%0.72913%0.129SC*.THydrogen-bonded Turntrans-51.7144.7167.9-166.5176.7178.700110.1H344 F353H344-E351 HydrophobicContact CB-CB 4.48Å; E351-F353 VanDerWaalsContact C-N 3.34Å
352K96.1Very high97.9Very high129 Ų12928.4 Ų28.456%0.56114%0.135SC*.THydrogen-bonded Turntrans84.4-30.1-167.9-168.4-171.3178.2-170.30115.8N310N310-K352 CarbonylContact C-O 3.59Å; N310-K352 VanDerWaalsContact C-O 3.23Å; N310-K352 WeakPolarHBondContact CA-O 3.49Å; N310-K352 HydrophobicContact CB-CG 4.42Å
353F98.4Very high97.8Very high14 Ų1430.2 Ų30.26%0.06114%0.143CC..  trans-92.4156.7-174.4-67.3-78000113.4A64 F65 W71 I308 L309 N310 S343 C349 P350 E351A64-F353 VanDerWaalsContact O-CZ 3.29Å; A64-F353 WeakPolarHBondContact O-CZ 3.34Å; F65-F353 HydrophobicContact CD1-CD1 4.28Å; F65-F353 AromaticContact CD1-CE1 3.69Å; F65-F353 HydrophobicContact CD1-CE1 3.69Å; F65-F353 HydrophobicContact CD1-CZ 4.12Å; F65-F353 HydrophobicContact CE1-CE1 4.22Å; W71-F353 HydrophobicContact CH2-CB 3.52Å; W71-F353 AromaticContact CH2-CD1 3.7Å; W71-F353 HydrophobicContact CH2-CD1 3.7Å; W71-F353 HydrophobicContact CH2-CD2 4.12Å; W71-F353 HydrophobicContact CH2-CE1 4.47Å; W71-F353 AromaticContact CH2-CG 3.5Å; W71-F353 HydrophobicContact CH2-CG 3.5Å; W71-F353 VanDerWaalsContact CH2-CG 3.5Å; W71-F353 HydrophobicContact CZ2-CB 4.01Å; W71-F353 HydrophobicContact CZ2-CD1 4.02Å; W71-F353 AromaticContact CZ2-CD2 3.77Å; W71-F353 HydrophobicContact CZ2-CD2 3.77Å; W71-F353 HydrophobicContact CZ2-CE1 4.48Å; W71-F353 HydrophobicContact CZ2-CE2 4.25Å; W71-F353 AromaticContact CZ2-CG 3.65Å; W71-F353 HydrophobicContact CZ2-CG 3.65Å; W71-F353 HydrophobicContact CZ3-CB 4.27Å; I308-F353 HydrophobicContact CG2-CD1 3.96Å; L309-F353 CarbonylContact O-C 3.53Å; L309-F353 WeakPolarHBondContact O-CA 3.49Å; L309-F353 WeakPolarHBondContact O-CD1 3.38Å; N310-F353 HydrophobicContact CB-CD1 4.12Å; N310-F353 HydrophobicContact CB-CE1 3.91Å; S343-F353 VanDerWaalsContact CB-O 3.25Å; S343-F353 WeakPolarHBondContact CB-O 3.46Å; C349-F353 HydrophobicContact CB-CB 4.12Å; C349-F353 VanDerWaalsContact SG-C 3.53Å; C349-F353 PolarHBondContact SG-O 3.46Å; P350-F353 HydrophobicContact CB-CD2 4.11Å; P350-F353 HydrophobicContact CG-CD2 4.34Å; P350-F353 PolarHBondContact O-N 2.87Å; P350-F353 VanDerWaalsContact O-N 3.15Å; E351-F353 VanDerWaalsContact C-N 3.34Å
354F98.6Very high97.8Very high7 Ų733.8 Ų33.83%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-135.2138.8174.8-61-106.8000108.5L309 H311 P312 L320 V356L309-F354 HydrophobicContact CB-CB 4.17Å; L309-F354 PolarHBondContact N-O 3.04Å; L309-F354 PolarHBondContact O-N 2.71Å; H311-F354 VanDerWaalsContact C-CD2 3.46Å; H311-F354 WeakPolarHBondContact O-CD2 3.35Å; P312-F354 HydrophobicContact CB-CE1 4.16Å; P312-F354 HydrophobicContact CB-CZ 3.9Å; P312-F354 HydrophobicContact CG-CE1 4.4Å; P312-F354 HydrophobicContact CG-CE2 4.15Å; P312-F354 HydrophobicContact CG-CZ 3.67Å; P312-F354 VanDerWaalsContact N-CE2 3.35Å; L320-F354 HydrophobicContact CD2-CE1 4.1Å; L320-F354 HydrophobicContact CD2-CZ 3.89Å; F354-V356 HydrophobicContact CB-CG2 4.38Å
355V98.6Very high97.8Very high9 Ų937.2 Ų37.26%0.05520%0.195CC..EExtended strand (participates in β ladder)trans-106.6118.5171.4-178.80000106.9W71 V73 I306 V342 C349W71-V355 HydrophobicContact CE3-CG2 4.25Å; W71-V355 HydrophobicContact CZ3-CG2 4.01Å; V73-V355 HydrophobicContact CG1-CG1 3.99Å; V73-V355 HydrophobicContact CG2-CG2 4.19Å; I306-V355 HydrophobicContact CG2-CG1 4.21Å; V342-V355 HydrophobicContact CG2-CB 4.26Å; V342-V355 PolarHBondContact N-O 2.95Å; V342-V355 PolarHBondContact O-N 2.92Å; C349-V355 HydrophobicContact CB-CG2 4.14Å
356V98.8Very high97.8Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-122.2127.1-176.7-175.80000110I306 C307 L309 I313 V339 S340 C341 F354 L378I306-V356 CarbonylContact C-O 3.41Å; C307-V356 HydrophobicContact CB-CB 4.26Å; C307-V356 PolarHBondContact N-O 3.4Å; C307-V356 PolarHBondContact O-N 2.87Å; L309-V356 HydrophobicContact CD1-CG2 3.68Å; L309-V356 HydrophobicContact CG-CG2 4.03Å; I313-V356 HydrophobicContact CD1-CG1 4.16Å; I313-V356 HydrophobicContact CD1-CG2 4.12Å; I313-V356 HydrophobicContact CG1-CG2 4.34Å; V339-V356 HydrophobicContact CG1-CG1 3.49Å; V339-V356 VanDerWaalsContact CG1-CG1 3.49Å; S340-V356 CarbonylContact O-C 3.55Å; S340-V356 WeakPolarHBondContact O-CA 3.31Å; S340-V356 WeakPolarHBondContact O-CG1 3.25Å; C341-V356 HydrophobicContact CB-CG2 4.03Å; F354-V356 HydrophobicContact CB-CG2 4.38Å; V356-L378 HydrophobicContact CB-CD1 4.36Å; V356-L378 HydrophobicContact CG1-CD1 3.93Å; V356-L378 HydrophobicContact CG1-CD2 3.75Å
357L98.7Very high97.8Very high5 Ų541.7 Ų41.73%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-98.1134.7168.4-171.984.1000109.3P77 R304 A305 I306 V339 S340 A359P77-L357 HydrophobicContact CG-CB 3.5Å; P77-L357 HydrophobicContact CG-CD1 4.27Å; P77-L357 HydrophobicContact CG-CD2 3.77Å; P77-L357 HydrophobicContact CG-CG 4.03Å; R304-L357 HydrophobicContact CB-CD1 4.05Å; A305-L357 CarbonylContact O-C 3.59Å; A305-L357 WeakPolarHBondContact O-CA 3.28Å; I306-L357 HydrophobicContact CG1-CD1 3.68Å; V339-L357 CarbonylContact C-O 3.51Å; V339-L357 WeakPolarHBondContact CA-O 3.34Å; S340-L357 PolarHBondContact N-O 3.07Å; S340-L357 PolarHBondContact O-N 3.16Å; S340-L357 WeakPolarHBondContact OG-CB 3.37Å; L357-A359 HydrophobicContact CD2-CB 3.87Å; L357-A359 HydrophobicContact CG-CB 4.3Å
358V98.8Very high97.8Very high0 Ų039.8 Ų39.80%022%0.215CC..EExtended strand (participates in β ladder)trans-115.2124.8161.7-1700000108.2R304 A305 I337 Y338 V339 L371 L375 L378R304-V358 CarbonylContact C-O 3.54Å; R304-V358 WeakPolarHBondContact CA-O 3.38Å; A305-V358 PolarHBondContact N-O 3.25Å; A305-V358 PolarHBondContact O-N 3.02Å; I337-V358 HydrophobicContact CG2-CG1 3.66Å; Y338-V358 CarbonylContact O-C 3.6Å; Y338-V358 WeakPolarHBondContact O-CA 3.46Å; V339-V358 HydrophobicContact CG1-CG2 4.36Å; V339-V358 HydrophobicContact CG2-CG1 4.32Å; V339-V358 HydrophobicContact CG2-CG2 4.29Å; V358-L371 HydrophobicContact CG1-CB 4.14Å; V358-L371 HydrophobicContact CG1-CD2 4.01Å; V358-L375 HydrophobicContact CB-CD2 4.31Å; V358-L375 HydrophobicContact CG2-CD2 3.89Å; V358-L375 HydrophobicContact CG2-CG 4.48Å; V358-L378 HydrophobicContact CG2-CD1 3.89Å
359A98.6Very high97.8Very high0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-142.4148.1-175.100000113.2V303 R304 I337 Y338 L357 A411V303-A359 VanDerWaalsContact O-CA 3.3Å; V303-A359 WeakPolarHBondContact O-CA 3.3Å; R304-A359 HydrophobicContact CB-CB 4.48Å; R304-A359 HydrophobicContact CG-CB 3.88Å; I337-A359 WeakPolarHBondContact CA-O 3.44Å; Y338-A359 PolarHBondContact N-O 3.11Å; Y338-A359 PolarHBondContact O-N 3.17Å; L357-A359 HydrophobicContact CD2-CB 3.87Å; L357-A359 HydrophobicContact CG-CB 4.3Å; A359-A411 HydrophobicContact CB-CB 4.27Å
360T97.9Very high97.8Very high0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-157.3162171.9-167.10000111.3V303 R333 D336 I337 E370 L371V303-T360 HydrophobicContact CG1-CG2 3.77Å; V303-T360 PolarHBondContact N-O 3.33Å; V303-T360 PolarHBondContact O-N 2.96Å; V303-T360 VanDerWaalsContact O-N 3.09Å; R333-T360 PolarHBondContact NH2-OG1 3.03Å; D336-T360 PolarHBondContact O-OG1 3.24Å; I337-T360 HydrophobicContact CG1-CG2 4.27Å; T360-E370 HydrophobicContact CG2-CB 4.04Å; T360-L371 HydrophobicContact CG2-CD2 3.8Å
361T97.4Very high97.8Very high29 Ų2944.2 Ų44.218%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-68.9134.4169.4-58.30000109.4Q301 R333Q301-T361 WeakPolarHBondContact O-CA 3.45Å; R333-T361 PolarHBondContact NH2-O 3.33Å
362V98.3Very high98Very high22 Ų2239.6 Ų39.613%0.13321%0.211CC..  trans-70.7132.1-179.5-179.90000110.7Q301 V303 T364 P367 E370 V388Q301-V362 HydrophobicContact CB-CB 3.9Å; Q301-V362 HydrophobicContact CB-CG2 3.76Å; Q301-V362 PolarHBondContact O-N 2.69Å; V303-V362 HydrophobicContact CB-CG2 3.88Å; V303-V362 HydrophobicContact CG1-CG2 3.94Å; V362-T364 WeakPolarHBondContact CG1-O 3.46Å; V362-P367 HydrophobicContact CG1-CB 4.08Å; V362-P367 HydrophobicContact CG1-CG 3.78Å; V362-P367 HydrophobicContact CG2-CB 3.97Å; V362-P367 HydrophobicContact CG2-CG 4.33Å; V362-E370 WeakPolarHBondContact CA-OE2 3.48Å; V362-V388 HydrophobicContact CG2-CG1 4.28Å
363E96.8Very high98.1Very high43 Ų4334.8 Ų34.820%0.20119%0.193CC..  trans-119.7-16.9178.2-65.7-170.9-154.800114.3R333 R334 H335 E370R333-E363 IonicContact CZ-OE1 3.86Å; R333-E363 IonicContact NH2-OE1 3.19Å; R334-E363 WeakPolarHBondContact CA-OE1 3.14Å; R334-E363 WeakPolarHBondContact CB-OE1 3.16Å; R334-E363 WeakPolarHBondContact CB-OE2 3.37Å; R334-E363 WeakPolarHBondContact CG-OE2 3.32Å; R334-E363 IonicContact CZ-OE2 3.88Å; R334-E363 PolarHBondContact N-OE1 3.48Å; R334-E363 PolarHBondContact N-OE2 2.92Å; R334-E363 VanDerWaalsContact N-OE2 3.15Å; R334-E363 IonicContact NE-OE2 3.49Å; R334-E363 PolarHBondContact NE-OE2 2.84Å; R334-E363 IonicContact NH2-OE2 2.84Å; H335-E363 IonicContact CE1-OE1 3.57Å; H335-E363 IonicContact CG-OE1 3.61Å; H335-E363 PolarHBondContact N-OE1 3.35Å; H335-E363 IonicContact ND1-OE1 3.35Å; H335-E363 PolarHBondContact ND1-OE1 2.77Å; E363-E370 PolarHBondContact N-OE1 2.99Å; E363-E370 PolarHBondContact N-OE2 3.17Å
364T97.5Very high98Very high75 Ų7534.1 Ų34.146%0.4619%0.191SC..SBendtrans-133.7173.6-170.775.70000111.6V362 N366 E370V362-T364 WeakPolarHBondContact CG1-O 3.46Å; T364-N366 PolarHBondContact O-N 3.44Å; T364-N366 PolarHBondContact OG1-N 3.42Å; T364-E370 WeakPolarHBondContact CA-OE1 3.28Å; T364-E370 VanDerWaalsContact CB-OE1 3.25Å; T364-E370 WeakPolarHBondContact CB-OE1 3.45Å; T364-E370 WeakPolarHBondContact CG2-OE1 3.39Å; T364-E370 PolarHBondContact N-OE1 2.85Å; T364-E370 PolarHBondContact OG1-OE1 3.15Å
365S97.4Very high98Very high129 Ų12934.3 Ų34.390%0.90219%0.192SC*.SBendtrans-77.3-0174.155.50000114.3P367S365-P367 VanDerWaalsContact C-CD 3.49Å; S365-P367 WeakPolarHBondContact O-CD 3.39Å
366N97.5Very high98Very high87 Ų8741 Ų4147%0.46522%0.222SC..  trans-123.971.6176.3-169.1-7.2000111.3T364 H368 Q369T364-N366 PolarHBondContact O-N 3.44Å; T364-N366 PolarHBondContact OG1-N 3.42Å; N366-H368 VanDerWaalsContact C-N 3.31Å; N366-H368 PolarHBondContact O-N 3.13Å; N366-Q369 HydrophobicContact CB-CB 4.28Å; N366-Q369 WeakPolarHBondContact O-CB 3.28Å; N366-Q369 PolarHBondContact O-N 3.47Å; N366-Q369 VanDerWaalsContact O-N 3.15Å
367P98Very high97.9Very high26 Ų2642.3 Ų42.317%0.16923%0.229CC..Hα-helixtrans-58.9-37.7-170.7-24.634.4000113.8V303 V362 S365 Q369 E370 V388V303-P367 HydrophobicContact CB-CB 3.81Å; V303-P367 HydrophobicContact CG1-CB 4.14Å; V303-P367 WeakPolarHBondContact CG1-O 3.24Å; V303-P367 HydrophobicContact CG2-CB 3.84Å; V362-P367 HydrophobicContact CG1-CB 4.08Å; V362-P367 HydrophobicContact CG1-CG 3.78Å; V362-P367 HydrophobicContact CG2-CB 3.97Å; V362-P367 HydrophobicContact CG2-CG 4.33Å; S365-P367 VanDerWaalsContact C-CD 3.49Å; S365-P367 WeakPolarHBondContact O-CD 3.39Å; P367-Q369 VanDerWaalsContact C-N 3.27Å; P367-Q369 PolarHBondContact O-N 3.44Å; P367-E370 VanDerWaalsContact O-CB 3.29Å; P367-E370 WeakPolarHBondContact O-CB 3.33Å; P367-E370 PolarHBondContact O-N 3.14Å; P367-E370 VanDerWaalsContact O-N 3.11Å; P367-V388 HydrophobicContact CB-CG2 3.87Å; P367-V388 HydrophobicContact CG-CG2 4.19Å
368H97.7Very high97.9Very high75 Ų7542.1 Ų42.135%0.34723%0.228SC..Hα-helixtrans-64.8-34.3-177.7-61.4176.7000111.9N366 E370 L371 Y386N366-H368 VanDerWaalsContact C-N 3.31Å; N366-H368 PolarHBondContact O-N 3.13Å; H368-E370 PolarHBondContact O-N 3.17Å; H368-L371 PolarHBondContact O-N 3.06Å; H368-Y386 HydrophobicContact CB-CD1 4.09Å; H368-Y386 HydrophobicContact CB-CE1 3.96Å; H368-Y386 AromaticContact CD2-CD1 3.8Å; H368-Y386 AromaticContact CE1-CG 3.88Å; H368-Y386 AromaticContact CG-CD1 3.74Å; H368-Y386 AromaticContact CG-CG 3.99Å; H368-Y386 AromaticContact ND1-CG 3.88Å
369Q97.8Very high97.8Very high110 Ų11044.2 Ų44.251%0.51425%0.25SC..Hα-helixtrans-66.6-25.9177.6-172.86417.400112.1N366 P367 L371 Q372N366-Q369 HydrophobicContact CB-CB 4.28Å; N366-Q369 WeakPolarHBondContact O-CB 3.28Å; N366-Q369 PolarHBondContact O-N 3.47Å; N366-Q369 VanDerWaalsContact O-N 3.15Å; P367-Q369 VanDerWaalsContact C-N 3.27Å; P367-Q369 PolarHBondContact O-N 3.44Å; Q369-L371 PolarHBondContact O-N 3.11Å; Q369-Q372 HydrophobicContact CG-CG 4.41Å; Q369-Q372 WeakPolarHBondContact O-CB 3.4Å; Q369-Q372 WeakPolarHBondContact O-CG 3.27Å; Q369-Q372 PolarHBondContact O-N 2.99Å
370E98.2Very high97.8Very high13 Ų1352.3 Ų52.36%0.06128%0.28CS..Hα-helixtrans-66.5-21.6178.5-60.5-173-166.900113.1R333 I337 T360 V362 E363 T364 P367 H368 Q372 P373R333-E370 IonicContact CZ-OE2 3.23Å; R333-E370 VanDerWaalsContact NH1-CD 3.26Å; R333-E370 IonicContact NH1-OE2 2.59Å; R333-E370 PolarHBondContact NH1-OE2 3.37Å; R333-E370 IonicContact NH2-OE2 3.75Å; R333-E370 PolarHBondContact NH2-OE2 3.16Å; I337-E370 VanDerWaalsContact CD1-O 3.29Å; I337-E370 WeakPolarHBondContact CD1-O 3.37Å; T360-E370 HydrophobicContact CG2-CB 4.04Å; V362-E370 WeakPolarHBondContact CA-OE2 3.48Å; E363-E370 PolarHBondContact N-OE1 2.99Å; E363-E370 PolarHBondContact N-OE2 3.17Å; T364-E370 WeakPolarHBondContact CA-OE1 3.28Å; T364-E370 VanDerWaalsContact CB-OE1 3.25Å; T364-E370 WeakPolarHBondContact CB-OE1 3.45Å; T364-E370 WeakPolarHBondContact CG2-OE1 3.39Å; T364-E370 PolarHBondContact N-OE1 2.85Å; T364-E370 PolarHBondContact OG1-OE1 3.15Å; P367-E370 VanDerWaalsContact O-CB 3.29Å; P367-E370 WeakPolarHBondContact O-CB 3.33Å; P367-E370 PolarHBondContact O-N 3.14Å; P367-E370 VanDerWaalsContact O-N 3.11Å; H368-E370 PolarHBondContact O-N 3.17Å; E370-Q372 VanDerWaalsContact C-N 3.33Å; E370-P373 WeakPolarHBondContact O-CD 3.3Å
371L98.5Very high97.8Very high0 Ų054.8 Ų54.80%029%0.293CS..THydrogen-bonded Turntrans-82.5-9.3177.9-60.3-177.2000113.4V303 A305 V358 T360 H368 Q369 P373 G374 L375 Y386V303-L371 HydrophobicContact CG1-CD2 4Å; V303-L371 HydrophobicContact CG1-CG 4.14Å; V303-L371 HydrophobicContact CG2-CD1 3.84Å; V303-L371 HydrophobicContact CG2-CG 4.19Å; A305-L371 HydrophobicContact CB-CD1 3.5Å; A305-L371 VanDerWaalsContact CB-CD1 3.5Å; V358-L371 HydrophobicContact CG1-CB 4.14Å; V358-L371 HydrophobicContact CG1-CD2 4.01Å; T360-L371 HydrophobicContact CG2-CD2 3.8Å; H368-L371 PolarHBondContact O-N 3.06Å; Q369-L371 PolarHBondContact O-N 3.11Å; L371-P373 VanDerWaalsContact C-CD 3.45Å; L371-G374 PolarHBondContact O-N 2.97Å; L371-L375 HydrophobicContact CB-CD1 3.95Å; L371-L375 HydrophobicContact CB-CG 4.15Å; L371-L375 WeakPolarHBondContact O-CG 3.42Å; L371-L375 PolarHBondContact O-N 3.02Å; L371-Y386 HydrophobicContact CD1-CD1 4.23Å; L371-Y386 HydrophobicContact CD1-CE1 4.16Å
372Q98.1Very high97.8Very high58 Ų5855.7 Ų55.727%0.27130%0.295SS..Hα-helixtrans-52.8-42.8-174.8-72.7-65.1-25.100114.5Q369 E370 G374 L375 Q376Q369-Q372 HydrophobicContact CG-CG 4.41Å; Q369-Q372 WeakPolarHBondContact O-CB 3.4Å; Q369-Q372 WeakPolarHBondContact O-CG 3.27Å; Q369-Q372 PolarHBondContact O-N 2.99Å; E370-Q372 VanDerWaalsContact C-N 3.33Å; Q372-G374 PolarHBondContact O-N 2.71Å; Q372-L375 PolarHBondContact O-N 2.99Å; Q372-Q376 WeakPolarHBondContact O-CB 3.35Å; Q372-Q376 VanDerWaalsContact O-CG 3.24Å; Q372-Q376 WeakPolarHBondContact O-CG 3.05Å; Q372-Q376 PolarHBondContact O-N 3.07Å
373P97.6Very high97.8Very high29 Ų2956.7 Ų56.719%0.18830%0.299CS..Hα-helixtrans-58.6-35.3177.9-2534.9000113.5I326 V331 I337 E370 L371 L377I326-P373 HydrophobicContact CD1-CB 4.22Å; V331-P373 HydrophobicContact CB-CB 4.5Å; V331-P373 HydrophobicContact CB-CG 4.18Å; V331-P373 HydrophobicContact CG1-CB 3.76Å; V331-P373 HydrophobicContact CG1-CG 3.94Å; I337-P373 HydrophobicContact CD1-CB 3.8Å; I337-P373 HydrophobicContact CD1-CG 3.67Å; E370-P373 WeakPolarHBondContact O-CD 3.3Å; L371-P373 VanDerWaalsContact C-CD 3.45Å; P373-L377 WeakPolarHBondContact O-CG 3.38Å
374G98.2Very high97.9Very high0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-78.6-41.7175.300000112.9L371 Q372 Q376 L377L371-G374 PolarHBondContact O-N 2.97Å; Q372-G374 PolarHBondContact O-N 2.71Å; G374-Q376 VanDerWaalsContact C-N 3.31Å; G374-Q376 PolarHBondContact O-N 3.01Å; G374-L377 WeakPolarHBondContact O-CB 3.44Å; G374-L377 PolarHBondContact O-N 3.46Å; G374-L377 VanDerWaalsContact O-N 3.16Å
375L98.6Very high97.9Very high11 Ų1153.4 Ų53.46%0.05828%0.279CS..Hα-helixtrans-62.5-36.5179.3-66.6174.4000112.6A305 C307 V358 L371 Q372 L377 L378 I381 I384 Y386A305-L375 HydrophobicContact CB-CD2 4.13Å; C307-L375 VanDerWaalsContact SG-CD2 3.57Å; V358-L375 HydrophobicContact CB-CD2 4.31Å; V358-L375 HydrophobicContact CG2-CD2 3.89Å; V358-L375 HydrophobicContact CG2-CG 4.48Å; L371-L375 HydrophobicContact CB-CD1 3.95Å; L371-L375 HydrophobicContact CB-CG 4.15Å; L371-L375 WeakPolarHBondContact O-CG 3.42Å; L371-L375 PolarHBondContact O-N 3.02Å; Q372-L375 PolarHBondContact O-N 2.99Å; L375-L377 PolarHBondContact O-N 3.11Å; L375-L378 HydrophobicContact CD2-CD1 4.19Å; L375-L378 WeakPolarHBondContact O-CB 3.31Å; L375-L378 PolarHBondContact O-N 3.17Å; L375-L378 VanDerWaalsContact O-N 3.1Å; L375-I381 HydrophobicContact CD2-CD1 4.09Å; L375-I384 HydrophobicContact CD1-CD1 3.96Å; L375-I384 HydrophobicContact CD2-CD1 3.54Å; L375-I384 HydrophobicContact CG-CD1 4.42Å; L375-Y386 HydrophobicContact CD1-CE1 4.32Å; L375-Y386 WeakPolarHBondContact CD1-OH 3.41Å
376Q97.5Very high97.9Very high149 Ų14950.6 Ų50.670%0.69625%0.249SC*.G310 helixtrans-63.7-21.9177.7-75.7174.5-8.600113.5Q372 G374 L378Q372-Q376 WeakPolarHBondContact O-CB 3.35Å; Q372-Q376 VanDerWaalsContact O-CG 3.24Å; Q372-Q376 WeakPolarHBondContact O-CG 3.05Å; Q372-Q376 PolarHBondContact O-N 3.07Å; G374-Q376 VanDerWaalsContact C-N 3.31Å; G374-Q376 PolarHBondContact O-N 3.01Å; Q376-L378 VanDerWaalsContact C-N 3.29Å
377L97.7Very high97.9Very high28 Ų2848.2 Ų48.215%0.14724%0.239CC..G310 helixtrans-75.1-20.1176.6-57.2177.8000112.5F110 I115 I313 P314 I324 I326 P373 G374 L375 G379F110-L377 HydrophobicContact CD2-CD1 4.45Å; F110-L377 HydrophobicContact CD2-CD2 4.12Å; F110-L377 HydrophobicContact CE2-CD2 4Å; I115-L377 HydrophobicContact CG2-CD1 3.86Å; I115-L377 HydrophobicContact CG2-CD2 3.98Å; I313-L377 WeakPolarHBondContact CG2-O 3.35Å; P314-L377 WeakPolarHBondContact CD-O 3.39Å; I324-L377 HydrophobicContact CD1-CD1 4.4Å; I324-L377 HydrophobicContact CG2-CD1 4.24Å; I326-L377 HydrophobicContact CD1-CD1 3.89Å; I326-L377 HydrophobicContact CG1-CD1 4.43Å; P373-L377 WeakPolarHBondContact O-CG 3.38Å; G374-L377 WeakPolarHBondContact O-CB 3.44Å; G374-L377 PolarHBondContact O-N 3.46Å; G374-L377 VanDerWaalsContact O-N 3.16Å; L375-L377 PolarHBondContact O-N 3.11Å; L377-G379 PolarHBondContact O-N 3.41Å
378L98.3Very high97.9Very high0 Ų050 Ų500%025%0.249CC..G310 helixtrans-84.5-8.6-164.2-54.3-170.7000114.5C307 L309 H311 I313 V339 V356 V358 L375 Q376 I381C307-L378 HydrophobicContact CB-CD1 3.92Å; L309-L378 HydrophobicContact CD1-CB 4.15Å; L309-L378 HydrophobicContact CD2-CB 4.14Å; H311-L378 PolarHBondContact CE1-O 3.42Å; I313-L378 HydrophobicContact CD1-CD2 3.76Å; I313-L378 HydrophobicContact CG1-CD2 3.97Å; I313-L378 HydrophobicContact CG2-CD2 4.37Å; V339-L378 HydrophobicContact CG1-CD2 4.23Å; V356-L378 HydrophobicContact CB-CD1 4.36Å; V356-L378 HydrophobicContact CG1-CD1 3.93Å; V356-L378 HydrophobicContact CG1-CD2 3.75Å; V358-L378 HydrophobicContact CG2-CD1 3.89Å; L375-L378 HydrophobicContact CD2-CD1 4.19Å; L375-L378 WeakPolarHBondContact O-CB 3.31Å; L375-L378 PolarHBondContact O-N 3.17Å; L375-L378 VanDerWaalsContact O-N 3.1Å; Q376-L378 VanDerWaalsContact C-N 3.29Å; L378-I381 HydrophobicContact CB-CD1 4.33Å; L378-I381 HydrophobicContact CB-CG1 4.13Å; L378-I381 HydrophobicContact CD1-CD1 4.19Å; L378-I381 HydrophobicContact CD1-CG1 4.5Å
379G97Very high97.9Very high44 Ų4448 Ų4845%0.45425%0.246SC..  trans67.9-138-172.300000112.1L377 I381L377-G379 PolarHBondContact O-N 3.41Å; G379-I381 PolarHBondContact O-N 2.86Å
380R98Very high97.9Very high170 Ų17045.5 Ų45.564%0.64224%0.236SC*.SBendtrans-78.6120.1-179.1175.7177.6158.2155.22109.8H311 E382H311-R380 PolarHBondContact NE2-N 2.86Å; H311-R380 VanDerWaalsContact NE2-N 3.15Å; H311-R380 PolarHBondContact NE2-O 2.96Å; R380-E382 IonicContact CZ-OE1 2.7Å; R380-E382 IonicContact NE-OE1 3.61Å; R380-E382 PolarHBondContact NE-OE1 2.82Å; R380-E382 IonicContact NH2-OE1 2.98Å; R380-E382 PolarHBondContact NH2-OE1 3.38Å; R380-E382 IonicContact NH2-OE2 2.91Å
381I98.4Very high97.9Very high52 Ų5245.9 Ų45.927%0.26724%0.239SC..  trans-94.6123.5176.7-57170.7000108.6C307 L309 L375 L378 G379 H383 I384C307-I381 HydrophobicContact CB-CG2 4.06Å; L309-I381 HydrophobicContact CD2-CB 4.17Å; L309-I381 HydrophobicContact CD2-CG1 3.81Å; L309-I381 HydrophobicContact CD2-CG2 4.26Å; L375-I381 HydrophobicContact CD2-CD1 4.09Å; L378-I381 HydrophobicContact CB-CD1 4.33Å; L378-I381 HydrophobicContact CB-CG1 4.13Å; L378-I381 HydrophobicContact CD1-CD1 4.19Å; L378-I381 HydrophobicContact CD1-CG1 4.5Å; G379-I381 PolarHBondContact O-N 2.86Å; I381-H383 WeakPolarHBondContact CG2-O 3.33Å; I381-I384 HydrophobicContact CG2-CB 4.22Å
382E97.7Very high97.9Very high48 Ų4848.9 Ų48.922%0.22425%0.252CS..SBendtrans-75.1-38.5177.2-65.8-60.3133.600111.1F65 I308 N310 R380F65-E382 HydrophobicContact CE1-CB 3.98Å; F65-E382 HydrophobicContact CZ-CB 4.31Å; I308-E382 HydrophobicContact CG2-CB 4.47Å; I308-E382 WeakPolarHBondContact O-CB 3.43Å; I308-E382 PolarHBondContact O-N 2.98Å; N310-E382 HydrophobicContact CB-CG 4.01Å; N310-E382 WeakPolarHBondContact ND2-CG 3.38Å; N310-E382 PolarHBondContact ND2-OE1 2.91Å; R380-E382 IonicContact CZ-OE1 2.7Å; R380-E382 IonicContact NE-OE1 3.61Å; R380-E382 PolarHBondContact NE-OE1 2.82Å; R380-E382 IonicContact NH2-OE1 2.98Å; R380-E382 PolarHBondContact NH2-OE1 3.38Å; R380-E382 IonicContact NH2-OE2 2.91Å
383H97.6Very high97.9Very high44 Ų4448.4 Ų48.420%0.20425%0.25CC..EExtended strand (participates in β ladder)trans-154.5153.6171.5-149.342.3000113.3F53 V58 F65 C307 I308 I381 F385F53-H383 AromaticContact CE1-CD2 3.31Å; F53-H383 WeakPolarHBondContact CE1-CD2 3.48Å; F53-H383 AromaticContact CE1-NE2 3.6Å; F53-H383 HydrophobicContact CZ-CB 4.48Å; F53-H383 AromaticContact CZ-CD2 3.5Å; F53-H383 VanDerWaalsContact CZ-CD2 3.5Å; F53-H383 WeakPolarHBondContact CZ-CD2 3.23Å; V58-H383 WeakPolarHBondContact CG1-NE2 3.18Å; F65-H383 HydrophobicContact CZ-CB 4.46Å; C307-H383 CarbonylContact C-O 3.6Å; C307-H383 WeakPolarHBondContact CA-O 3.34Å; I308-H383 PolarHBondContact N-O 3.18Å; I308-H383 PolarHBondContact O-N 3.39Å; I381-H383 WeakPolarHBondContact CG2-O 3.33Å; H383-F385 AromaticContact CD2-CE1 3.45Å; H383-F385 VanDerWaalsContact CD2-CE1 3.45Å; H383-F385 WeakPolarHBondContact CD2-CE1 3.17Å; H383-F385 AromaticContact CD2-CE2 3.98Å; H383-F385 AromaticContact CD2-CZ 3.38Å; H383-F385 WeakPolarHBondContact CD2-CZ 3.34Å; H383-F385 AromaticContact NE2-CE1 3.78Å
384I97.9Very high97.9Very high45 Ų4548 Ų4823%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-137.3130.7-177.9-171.7159.7000111A305 I306 L375 I381 Y386A305-I384 HydrophobicContact CB-CD1 3.87Å; A305-I384 HydrophobicContact CB-CG1 3.97Å; I306-I384 CarbonylContact O-C 3.46Å; I306-I384 WeakPolarHBondContact O-CA 3.11Å; L375-I384 HydrophobicContact CD1-CD1 3.96Å; L375-I384 HydrophobicContact CD2-CD1 3.54Å; L375-I384 HydrophobicContact CG-CD1 4.42Å; I381-I384 HydrophobicContact CG2-CB 4.22Å; I384-Y386 HydrophobicContact CB-CE2 4.44Å; I384-Y386 HydrophobicContact CD1-CE1 3.89Å; I384-Y386 HydrophobicContact CD1-CE2 3.75Å; I384-Y386 WeakPolarHBondContact CD1-OH 3.48Å; I384-Y386 HydrophobicContact CG1-CD2 4.2Å; I384-Y386 HydrophobicContact CG1-CE1 4.32Å; I384-Y386 HydrophobicContact CG1-CE2 3.73Å; I384-Y386 HydrophobicContact CG2-CE2 3.87Å
385F98Very high97.9Very high4 Ų452 Ų522%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-117.6116.3177.3-51-83.2000109.4L52 F53 F56 V58 A305 I306 I308 H383L52-F385 HydrophobicContact CD2-CD2 4.1Å; L52-F385 HydrophobicContact CD2-CE2 3.47Å; L52-F385 VanDerWaalsContact CD2-CE2 3.47Å; L52-F385 HydrophobicContact CD2-CZ 3.74Å; L52-F385 HydrophobicContact CG-CD2 4.5Å; L52-F385 HydrophobicContact CG-CE1 4.46Å; L52-F385 HydrophobicContact CG-CE2 4.09Å; L52-F385 HydrophobicContact CG-CZ 4.02Å; F53-F385 HydrophobicContact CD1-CE1 4.27Å; F53-F385 HydrophobicContact CD1-CZ 4.37Å; F53-F385 HydrophobicContact CD2-CE1 4.16Å; F53-F385 AromaticContact CD2-CZ 3.7Å; F53-F385 HydrophobicContact CD2-CZ 3.7Å; F53-F385 HydrophobicContact CE1-CE1 4.4Å; F53-F385 HydrophobicContact CE1-CZ 4.21Å; F53-F385 HydrophobicContact CE2-CE1 4.34Å; F53-F385 HydrophobicContact CE2-CE2 4.48Å; F53-F385 AromaticContact CE2-CZ 3.55Å; F53-F385 HydrophobicContact CE2-CZ 3.55Å; F53-F385 HydrophobicContact CG-CE1 4.14Å; F53-F385 HydrophobicContact CG-CZ 4.13Å; F53-F385 HydrophobicContact CZ-CE1 4.45Å; F53-F385 AromaticContact CZ-CZ 3.81Å; F53-F385 HydrophobicContact CZ-CZ 3.81Å; F56-F385 HydrophobicContact CB-CB 4.41Å; F56-F385 HydrophobicContact CB-CD1 3.57Å; F56-F385 HydrophobicContact CB-CE1 4.27Å; F56-F385 HydrophobicContact CB-CG 4.4Å; F56-F385 HydrophobicContact CD1-CB 3.81Å; F56-F385 HydrophobicContact CD2-CB 3.83Å; F56-F385 AromaticContact CD2-CD1 3.78Å; F56-F385 HydrophobicContact CD2-CD1 3.78Å; F56-F385 AromaticContact CD2-CG 3.93Å; F56-F385 HydrophobicContact CD2-CG 3.93Å; F56-F385 HydrophobicContact CE1-CB 3.92Å; F56-F385 HydrophobicContact CE2-CB 3.98Å; F56-F385 HydrophobicContact CE2-CG 4.36Å; F56-F385 HydrophobicContact CG-CB 3.76Å; F56-F385 AromaticContact CG-CD1 3.71Å; F56-F385 HydrophobicContact CG-CD1 3.71Å; F56-F385 HydrophobicContact CG-CG 4.07Å; F56-F385 HydrophobicContact CZ-CB 4.02Å; V58-F385 HydrophobicContact CB-CE1 4.4Å; V58-F385 HydrophobicContact CG2-CD1 3.92Å; V58-F385 HydrophobicContact CG2-CE1 3.87Å; A305-F385 CarbonylContact C-O 3.41Å; A305-F385 VanDerWaalsContact CA-O 3.28Å; A305-F385 WeakPolarHBondContact CA-O 3.25Å; I306-F385 HydrophobicContact CB-CB 4.29Å; I306-F385 HydrophobicContact CB-CD2 4.14Å; I306-F385 HydrophobicContact CG2-CD2 4.2Å; I306-F385 PolarHBondContact N-O 3.46Å; I306-F385 WeakPolarHBondContact O-CD2 3.49Å; I306-F385 PolarHBondContact O-N 2.96Å; I308-F385 HydrophobicContact CD1-CE2 3.94Å; I308-F385 HydrophobicContact CD1-CZ 4.44Å; I308-F385 HydrophobicContact CG1-CE2 4.3Å; H383-F385 AromaticContact CD2-CE1 3.45Å; H383-F385 VanDerWaalsContact CD2-CE1 3.45Å; H383-F385 WeakPolarHBondContact CD2-CE1 3.17Å; H383-F385 AromaticContact CD2-CE2 3.98Å; H383-F385 AromaticContact CD2-CZ 3.38Å; H383-F385 WeakPolarHBondContact CD2-CZ 3.34Å; H383-F385 AromaticContact NE2-CE1 3.78Å
386Y97.8Very high97.9Very high69 Ų6954.2 Ų54.227%0.27128%0.283SS..EExtended strand (participates in β ladder)trans-94.1144178-68-81.9000111.4F56 R304 A305 H368 L371 L375 I384F56-Y386 WeakPolarHBondContact CE1-O 3.45Å; R304-Y386 CarbonylContact O-C 3.6Å; R304-Y386 WeakPolarHBondContact O-CA 3.42Å; A305-Y386 HydrophobicContact CB-CD1 3.92Å; A305-Y386 HydrophobicContact CB-CE1 3.85Å; H368-Y386 HydrophobicContact CB-CD1 4.09Å; H368-Y386 HydrophobicContact CB-CE1 3.96Å; H368-Y386 AromaticContact CD2-CD1 3.8Å; H368-Y386 AromaticContact CE1-CG 3.88Å; H368-Y386 AromaticContact CG-CD1 3.74Å; H368-Y386 AromaticContact CG-CG 3.99Å; H368-Y386 AromaticContact ND1-CG 3.88Å; L371-Y386 HydrophobicContact CD1-CD1 4.23Å; L371-Y386 HydrophobicContact CD1-CE1 4.16Å; L375-Y386 HydrophobicContact CD1-CE1 4.32Å; L375-Y386 WeakPolarHBondContact CD1-OH 3.41Å; I384-Y386 HydrophobicContact CB-CE2 4.44Å; I384-Y386 HydrophobicContact CD1-CE1 3.89Å; I384-Y386 HydrophobicContact CD1-CE2 3.75Å; I384-Y386 WeakPolarHBondContact CD1-OH 3.48Å; I384-Y386 HydrophobicContact CG1-CD2 4.2Å; I384-Y386 HydrophobicContact CG1-CE1 4.32Å; I384-Y386 HydrophobicContact CG1-CE2 3.73Å; I384-Y386 HydrophobicContact CG2-CE2 3.87Å
387S97.4Very high97.8Very high38 Ų3850.2 Ų50.227%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-140.7145.3165.956.70000110.4V303 R304V303-S387 WeakPolarHBondContact CA-O 3.5Å; R304-S387 PolarHBondContact N-O 2.94Å; R304-S387 PolarHBondContact O-N 3.06Å
388V98.1Very high97.8Very high62 Ų6249 Ų4938%0.37626%0.26SS..EExtended strand (participates in β ladder)trans-123.5126.2168.2-177.80000106.6V302 V303 V362 P367V302-V388 WeakPolarHBondContact O-CA 3.47Å; V303-V388 HydrophobicContact CB-CG2 4.19Å; V303-V388 HydrophobicContact CG2-CG2 3.94Å; V362-V388 HydrophobicContact CG2-CG1 4.28Å; P367-V388 HydrophobicContact CB-CG2 3.87Å; P367-V388 HydrophobicContact CG-CG2 4.19Å
389A97.5Very high97.8Very high34 Ų3454.6 Ų54.628%0.28128%0.281SS..EExtended strand (participates in β ladder)trans-127.5143.2-178.400000110.7Q301 V302Q301-A389 CarbonylContact C-O 3.56Å; Q301-A389 VanDerWaalsContact CA-O 3.25Å; Q301-A389 WeakPolarHBondContact CA-O 3.28Å; V302-A389 HydrophobicContact CG1-CB 4.11Å; V302-A389 PolarHBondContact N-O 3.2Å; V302-A389 PolarHBondContact O-N 3.16Å
390D98.1Very high97.8Very high58 Ų5856.5 Ų56.531%0.3129%0.288SS..EExtended strand (participates in β ladder)trans-73.6139.6172.3-74.6-1000110.2K298 Q301 F392K298-D390 HydrophobicContact CD-CB 4.38Å; K298-D390 WeakPolarHBondContact CD-OD2 3.47Å; K298-D390 VanDerWaalsContact CE-CG 3.41Å; K298-D390 VanDerWaalsContact CE-OD1 3.3Å; K298-D390 WeakPolarHBondContact CE-OD1 3.3Å; K298-D390 WeakPolarHBondContact CE-OD2 3.41Å; K298-D390 IonicContact NZ-OD1 2.74Å; K298-D390 PolarHBondContact NZ-OD1 3.34Å; K298-D390 IonicContact NZ-OD2 3.74Å; K298-D390 PolarHBondContact NZ-OD2 3.49Å; Q301-D390 VanDerWaalsContact CG-OD1 3.3Å; Q301-D390 WeakPolarHBondContact CG-OD1 3.35Å; Q301-D390 PolarHBondContact NE2-OD1 2.86Å; D390-F392 HydrophobicContact CB-CD2 4.25Å; D390-F392 HydrophobicContact CB-CE1 4.48Å; D390-F392 HydrophobicContact CB-CE2 3.42Å; D390-F392 VanDerWaalsContact CB-CE2 3.42Å; D390-F392 HydrophobicContact CB-CZ 3.55Å
391L98.2Very high97.8Very high21 Ų2148.6 Ų48.611%0.1126%0.258CS..EExtended strand (participates in β ladder)trans-98.2129.6172.2-61.6176.8000108.8K298 C299 G300 V302 Y409K298-L391 CarbonylContact C-O 3.37Å; K298-L391 WeakPolarHBondContact CA-O 3.47Å; C299-L391 PolarHBondContact N-O 2.82Å; C299-L391 PolarHBondContact SG-O 2.96Å; G300-L391 PolarHBondContact N-O 3.3Å; G300-L391 PolarHBondContact O-N 3.32Å; V302-L391 HydrophobicContact CB-CD1 4.37Å; V302-L391 HydrophobicContact CB-CD2 4.24Å; V302-L391 HydrophobicContact CB-CG 4.39Å; V302-L391 HydrophobicContact CG1-CD2 3.67Å; V302-L391 HydrophobicContact CG1-CG 4.16Å; L391-Y409 VanDerWaalsContact CD2-O 3.23Å; L391-Y409 WeakPolarHBondContact CD2-O 3.21Å
392F98.5Very high97.8Very high63 Ų6347.7 Ų47.728%0.27625%0.254SS..EExtended strand (participates in β ladder)trans-121149.6-179.7-63.5-79.6000111.2P289 V296 R297 K298 D390 K407 S408P289-F392 HydrophobicContact CB-CB 3.69Å; P289-F392 HydrophobicContact CB-CD2 4.33Å; P289-F392 HydrophobicContact CB-CG 4.22Å; P289-F392 HydrophobicContact CG-CB 3.86Å; V296-F392 HydrophobicContact CB-CB 4.13Å; V296-F392 HydrophobicContact CB-CD1 4.42Å; V296-F392 HydrophobicContact CG2-CB 4.21Å; V296-F392 HydrophobicContact CG2-CD1 3.87Å; V296-F392 HydrophobicContact CG2-CG 4.21Å; R297-F392 WeakPolarHBondContact O-CA 3.34Å; K298-F392 HydrophobicContact CB-CD1 4.23Å; K298-F392 HydrophobicContact CB-CE1 3.95Å; D390-F392 HydrophobicContact CB-CD2 4.25Å; D390-F392 HydrophobicContact CB-CE1 4.48Å; D390-F392 HydrophobicContact CB-CE2 3.42Å; D390-F392 VanDerWaalsContact CB-CE2 3.42Å; D390-F392 HydrophobicContact CB-CZ 3.55Å; F392-K407 CarbonylContact O-C 3.56Å; F392-K407 WeakPolarHBondContact O-CA 3.47Å; F392-S408 PolarHBondContact N-OG 3.31Å; F392-S408 PolarHBondContact O-N 3.38Å
393E98.2Very high97.8Very high48 Ų4845.5 Ų45.522%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-136.7152.2169.964.4-177.8-168.400110.1V296 R297 C299 K407V296-E393 CarbonylContact C-O 3.56Å; V296-E393 VanDerWaalsContact CA-O 3.26Å; V296-E393 WeakPolarHBondContact CA-O 3.47Å; V296-E393 WeakPolarHBondContact CB-O 3.08Å; R297-E393 HydrophobicContact CG-CG 3.87Å; R297-E393 IonicContact CZ-OE1 3.48Å; R297-E393 PolarHBondContact N-O 2.89Å; R297-E393 IonicContact NE-OE1 2.71Å; R297-E393 PolarHBondContact NE-OE1 3.5Å; R297-E393 IonicContact NH2-OE1 3.43Å; R297-E393 PolarHBondContact NH2-OE1 3.29Å; R297-E393 PolarHBondContact O-N 3.27Å; R297-E393 VanDerWaalsContact O-N 3.09Å; C299-E393 HydrophobicContact CB-CG 3.96Å; E393-K407 HydrophobicContact CB-CG 4.06Å
394P98.4Very high97.9Very high21 Ų2143.7 Ų43.714%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-60.4143.7176.424.8-34.6000111.9D396 I405P394-D396 VanDerWaalsContact C-N 3.35Å; P394-D396 WeakPolarHBondContact CB-O 3.33Å; P394-I405 HydrophobicContact CB-CB 4.23Å
395V98.1Very high97.9Very high84 Ų8441.8 Ų41.851%0.50923%0.226SC..SBendtrans-81.9-15.5175.2-57.60000113.3R295 R297R295-V395 WeakPolarHBondContact O-CG2 3.18Å; R295-V395 PolarHBondContact O-N 3.31Å; R297-V395 HydrophobicContact CB-CG1 3.97Å; R297-V395 HydrophobicContact CG-CG1 4.27Å
396D96.6Very high97.9Very high57 Ų5741.7 Ų41.731%0.30523%0.225SC..SBendtrans-139.9171.6179.57159.3000112.2R295 P394 G398R295-D396 IonicContact NH1-OD2 2.74Å; P394-D396 VanDerWaalsContact C-N 3.35Å; P394-D396 WeakPolarHBondContact CB-O 3.33Å; D396-G398 VanDerWaalsContact C-N 3.32Å; D396-G398 VanDerWaalsContact OD1-CA 3.29Å; D396-G398 WeakPolarHBondContact OD1-CA 2.89Å; D396-G398 PolarHBondContact OD1-N 2.76Å
397D96.2Very high98Very high65 Ų6541.5 Ų41.535%0.34823%0.226SC..  trans-72.5-23.4-177.8-179.1-60.8000112.6R399 R428D397-R399 WeakPolarHBondContact OD1-CD 3.41Å; D397-R399 WeakPolarHBondContact OD1-CG 3.28Å; D397-R399 IonicContact OD1-CZ 3.53Å; D397-R399 IonicContact OD1-NE 2.84Å; D397-R399 IonicContact OD1-NH1 2.75Å; D397-R399 IonicContact OD2-CZ 2.8Å; D397-R399 IonicContact OD2-NH1 3.78Å; D397-R399 PolarHBondContact OD2-NH1 2.88Å; D397-R428 VanDerWaalsContact CG-CD 3.42Å; D397-R428 WeakPolarHBondContact O-CD 3.33Å; D397-R428 PolarHBondContact O-NH1 2.78Å; D397-R428 VanDerWaalsContact OD1-CD 3.25Å; D397-R428 WeakPolarHBondContact OD1-CD 3.12Å; D397-R428 WeakPolarHBondContact OD1-CG 3.41Å
398G97.9Very high98Very high1 Ų140.9 Ų40.91%0.0122%0.222CC..SBendtrans92-21.9-177.400000114.6D396 S400 S401 N402 I403D396-G398 VanDerWaalsContact C-N 3.32Å; D396-G398 VanDerWaalsContact OD1-CA 3.29Å; D396-G398 WeakPolarHBondContact OD1-CA 2.89Å; D396-G398 PolarHBondContact OD1-N 2.76Å; G398-S400 VanDerWaalsContact C-N 3.3Å; G398-S400 PolarHBondContact O-N 3.11Å; G398-S401 PolarHBondContact O-N 3.33Å; G398-S401 PolarHBondContact O-OG 3.05Å; G398-N402 VanDerWaalsContact O-CA 3.23Å; G398-N402 WeakPolarHBondContact O-CA 3.22Å; G398-N402 PolarHBondContact O-N 2.82Å; G398-I403 WeakPolarHBondContact CA-O 3.49Å; G398-I403 PolarHBondContact O-N 3.21Å
399R97.8Very high97.9Very high119 Ų11938.7 Ų38.745%0.44921%0.207SC..THydrogen-bonded Turntrans-62.5-27.4-178.9-75.9168.6-178.5145.5-10.3115.5D397 Y404D397-R399 WeakPolarHBondContact OD1-CD 3.41Å; D397-R399 WeakPolarHBondContact OD1-CG 3.28Å; D397-R399 IonicContact OD1-CZ 3.53Å; D397-R399 IonicContact OD1-NE 2.84Å; D397-R399 IonicContact OD1-NH1 2.75Å; D397-R399 IonicContact OD2-CZ 2.8Å; D397-R399 IonicContact OD2-NH1 3.78Å; D397-R399 PolarHBondContact OD2-NH1 2.88Å; R399-Y404 HydrophobicContact CG-CE1 4.22Å
400S97.2Very high97.8Very high84 Ų8439.1 Ų39.159%0.58720%0.204SC*.THydrogen-bonded Turntrans-78.1-36.2177.555.60000112.2K269 G398K269-S400 WeakPolarHBondContact CG-O 3.38Å; G398-S400 VanDerWaalsContact C-N 3.3Å; G398-S400 PolarHBondContact O-N 3.11Å
401S97.9Very high97.8Very high3 Ų336.6 Ų36.62%0.02119%0.191CC..THydrogen-bonded Turntrans-97.3-13.7-176.365.10000113.9G268 K269 V270 G398 I403G268-S401 WeakPolarHBondContact O-CA 3.34Å; K269-S401 WeakPolarHBondContact CA-O 3.42Å; V270-S401 PolarHBondContact N-O 2.9Å; G398-S401 PolarHBondContact O-N 3.33Å; G398-S401 PolarHBondContact O-OG 3.05Å; S401-I403 PolarHBondContact O-N 2.92Å; S401-I403 PolarHBondContact OG-N 3.11Å
402N98.5Very high97.6Very high33 Ų3335.8 Ų35.818%0.17619%0.187CC..THydrogen-bonded Turntrans57.624.9-166.7-70.5-18.7000113.9V270 E283 K284 V285 G398V270-N402 HydrophobicContact CG1-CB 3.78Å; V270-N402 WeakPolarHBondContact CG1-O 3.3Å; E283-N402 VanDerWaalsContact O-CB 3.29Å; E283-N402 WeakPolarHBondContact O-CB 3.48Å; E283-N402 PolarHBondContact O-ND2 2.97Å; E283-N402 VanDerWaalsContact O-ND2 3.1Å; K284-N402 CarbonylContact C-O 3.55Å; K284-N402 WeakPolarHBondContact CA-O 3.15Å; K284-N402 HydrophobicContact CG-CB 4.1Å; V285-N402 PolarHBondContact N-O 3.15Å; G398-N402 VanDerWaalsContact O-CA 3.23Å; G398-N402 WeakPolarHBondContact O-CA 3.22Å; G398-N402 PolarHBondContact O-N 2.82Å
403I98.6Very high97.4Very high3 Ų332.8 Ų32.82%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-114.3114.4176.1-57.3168.5000108.4I263 I265 V270 V285 G398 S401 I405I263-I403 HydrophobicContact CG2-CD1 3.88Å; I263-I403 HydrophobicContact CG2-CG1 4.41Å; I265-I403 HydrophobicContact CD1-CD1 4.01Å; I265-I403 HydrophobicContact CG1-CD1 4.17Å; V270-I403 HydrophobicContact CB-CD1 4.17Å; V270-I403 HydrophobicContact CB-CG1 3.79Å; V270-I403 HydrophobicContact CG1-CG1 4.08Å; V270-I403 HydrophobicContact CG2-CG1 4.41Å; V285-I403 HydrophobicContact CB-CG1 4.48Å; V285-I403 HydrophobicContact CG1-CG2 4.48Å; V285-I403 CarbonylContact O-C 3.58Å; V285-I403 WeakPolarHBondContact O-CA 3.44Å; G398-I403 WeakPolarHBondContact CA-O 3.49Å; G398-I403 PolarHBondContact O-N 3.21Å; S401-I403 PolarHBondContact O-N 2.92Å; S401-I403 PolarHBondContact OG-N 3.11Å; I403-I405 HydrophobicContact CG2-CD1 4.35Å; I403-I405 HydrophobicContact CG2-CG1 4.06Å
404Y98.7Very high97.2Very high6 Ų630.8 Ų30.82%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-111.2113.1-174.6-57.7-89.9000109.6K284 V285 I286 C287 R399 M425 R428 I429K284-Y404 HydrophobicContact CB-CE2 4.17Å; K284-Y404 HydrophobicContact CD-CE2 3.89Å; K284-Y404 HydrophobicContact CG-CE2 4.04Å; V285-Y404 PolarHBondContact O-N 3.04Å; I286-Y404 VanDerWaalsContact CA-O 3.3Å; I286-Y404 WeakPolarHBondContact CA-O 3.39Å; C287-Y404 PolarHBondContact N-O 3.3Å; R399-Y404 HydrophobicContact CG-CE1 4.22Å; Y404-M425 WeakPolarHBondContact O-CE 3.31Å; Y404-R428 HydrophobicContact CD1-CB 3.97Å; Y404-R428 VanDerWaalsContact CE1-C 3.5Å; Y404-R428 HydrophobicContact CE1-CB 3.82Å; Y404-R428 VanDerWaalsContact CE1-O 3.3Å; Y404-R428 WeakPolarHBondContact CE1-O 3.48Å; Y404-R428 PolarHBondContact OH-O 3.01Å; Y404-I429 HydrophobicContact CD1-CG1 3.7Å; Y404-I429 HydrophobicContact CD2-CG1 3.69Å; Y404-I429 HydrophobicContact CE1-CG1 3.99Å; Y404-I429 HydrophobicContact CE2-CG1 4Å; Y404-I429 HydrophobicContact CG-CD1 4.24Å; Y404-I429 HydrophobicContact CG-CG1 3.51Å
405I98.7Very high97Very high5 Ų530 Ų303%0.02616%0.159CC..EExtended strand (participates in β ladder)trans-109.2132-173.8-52163.5000109.4C287 P289 A292 R295 V296 P394 I403C287-I405 VanDerWaalsContact O-CA 3.28Å; C287-I405 WeakPolarHBondContact O-CA 2.8Å; P289-I405 HydrophobicContact CG-CG2 4.21Å; A292-I405 HydrophobicContact CB-CD1 3.62Å; A292-I405 HydrophobicContact CB-CG1 4.22Å; R295-I405 HydrophobicContact CB-CD1 3.46Å; R295-I405 VanDerWaalsContact CB-CD1 3.46Å; V296-I405 HydrophobicContact CG1-CB 4.5Å; V296-I405 HydrophobicContact CG1-CD1 4.03Å; V296-I405 HydrophobicContact CG1-CG2 3.7Å; P394-I405 HydrophobicContact CB-CB 4.23Å; I403-I405 HydrophobicContact CG2-CD1 4.35Å; I403-I405 HydrophobicContact CG2-CG1 4.06Å
406S98.4Very high96.8Very high1 Ų128 Ų281%0.00714%0.144CC..PPolyproline II helixtrans-76.2159174.468.80000112E16 C287 P289 M425E16-S406 WeakPolarHBondContact OE1-CB 3.17Å; E16-S406 PolarHBondContact OE1-OG 2.84Å; C287-S406 PolarHBondContact O-N 2.86Å; P289-S406 WeakPolarHBondContact CD-O 3.25Å; P289-S406 VanDerWaalsContact CG-O 3.28Å; P289-S406 WeakPolarHBondContact CG-O 3.39Å; S406-M425 WeakPolarHBondContact CA-SD 3.33Å; S406-M425 VanDerWaalsContact CB-SD 3.51Å
407K98.1Very high96.6Very high66 Ų6627.4 Ų27.429%0.28715%0.145SC..PPolyproline II helixtrans-79.2155.8172.3-61.5168.5-166.5156.40109.9K15 F392 E393 D421 E424K15-K407 PolarHBondContact NZ-O 3.13Å; F392-K407 CarbonylContact O-C 3.56Å; F392-K407 WeakPolarHBondContact O-CA 3.47Å; E393-K407 HydrophobicContact CB-CG 4.06Å; K407-D421 WeakPolarHBondContact CD-OD1 3.49Å; K407-D421 WeakPolarHBondContact CE-OD1 3.41Å; K407-D421 WeakPolarHBondContact CG-OD1 3.41Å; K407-D421 PolarHBondContact N-OD2 3.23Å; K407-D421 IonicContact NZ-OD1 3.03Å; K407-E424 IonicContact NZ-OE2 3.6Å; K407-E424 PolarHBondContact NZ-OE2 3.11Å
408S97.8Very high96.6Very high25 Ų2524.4 Ų24.418%0.17513%0.129CC..PPolyproline II helixtrans-62.1160169.2-64.50000112.5F392F392-S408 PolarHBondContact N-OG 3.31Å; F392-S408 PolarHBondContact O-N 3.38Å
409Y96.6Very high96.5Very high16 Ų1624.5 Ų24.56%0.06313%0.129CC..PPolyproline II helixtrans-79123.9175.5-62.5-87.7000111.2L14 K15 T43 I76 R304 L391 T418L14-Y409 PolarHBondContact N-OH 3.36Å; L14-Y409 VanDerWaalsContact N-OH 3.11Å; K15-Y409 HydrophobicContact CD-CE1 4.4Å; K15-Y409 HydrophobicContact CG-CE1 4.22Å; K15-Y409 PolarHBondContact N-OH 2.95Å; T43-Y409 HydrophobicContact CG2-CD1 3.97Å; T43-Y409 HydrophobicContact CG2-CD2 3.82Å; T43-Y409 HydrophobicContact CG2-CE1 3.64Å; T43-Y409 HydrophobicContact CG2-CE2 3.51Å; T43-Y409 HydrophobicContact CG2-CG 4.05Å; T43-Y409 VanDerWaalsContact CG2-CZ 3.4Å; I76-Y409 HydrophobicContact CD1-CD2 4.34Å; I76-Y409 HydrophobicContact CD1-CG 4.35Å; R304-Y409 PolarHBondContact NH2-O 3.5Å; L391-Y409 VanDerWaalsContact CD2-O 3.23Å; L391-Y409 WeakPolarHBondContact CD2-O 3.21Å; Y409-T418 HydrophobicContact CD1-CG2 4.34Å; Y409-T418 HydrophobicContact CE1-CG2 3.79Å
410D95.8Very high96.4Very high43 Ų4320.8 Ų20.823%0.2312%0.124CC..  trans-69.8-178.9176.267.321.6000113.5K78 R304 S412 S417K78-D410 IonicContact NZ-OD1 3.42Å; K78-D410 PolarHBondContact NZ-OD1 2.86Å; R304-D410 PolarHBondContact NH2-O 2.84Å; D410-S412 VanDerWaalsContact C-N 3.31Å; D410-S412 PolarHBondContact O-N 3.49Å; D410-S412 WeakPolarHBondContact OD1-CB 3.34Å; D410-S412 PolarHBondContact OD1-N 3.14Å; D410-S412 PolarHBondContact OD1-OG 3.02Å; D410-S412 PolarHBondContact OD2-OG 3.22Å; D410-S417 VanDerWaalsContact OD2-CB 3.28Å; D410-S417 WeakPolarHBondContact OD2-CB 3.25Å; D410-S417 PolarHBondContact OD2-OG 3.02Å
411A96.5Very high96.4Very high4 Ų416.9 Ų16.93%0.03310%0.097CC..SBendtrans-76.6-12.9-18000000114.6V302 Y338 A359V302-A411 HydrophobicContact CG2-CB 3.71Å; Y338-A411 HydrophobicContact CD2-CB 4.13Å; Y338-A411 WeakPolarHBondContact CD2-O 3.47Å; Y338-A411 HydrophobicContact CE2-CB 4.33Å; A359-A411 HydrophobicContact CB-CB 4.27Å
412S95.3Very high96.4Very high4 Ų416.8 Ų16.83%0.02810%0.096CC..  trans-64.4151.8-171.570.50000111.9K78 D410 H414K78-S412 PolarHBondContact NZ-O 3.4Å; K78-S412 PolarHBondContact NZ-OG 3.3Å; K78-S412 VanDerWaalsContact NZ-OG 3.14Å; D410-S412 VanDerWaalsContact C-N 3.31Å; D410-S412 PolarHBondContact O-N 3.49Å; D410-S412 WeakPolarHBondContact OD1-CB 3.34Å; D410-S412 PolarHBondContact OD1-N 3.14Å; D410-S412 PolarHBondContact OD1-OG 3.02Å; D410-S412 PolarHBondContact OD2-OG 3.22Å; S412-H414 VanDerWaalsContact C-N 3.25Å; S412-H414 PolarHBondContact O-N 3.48Å; S412-H414 PolarHBondContact OG-O 3.32Å
413T94.3Very high96.4Very high0 Ų016.4 Ų16.40%09%0.094CC..SBendtrans-87.812.8176.545.40000113.2K78 F79 Q323K78-T413 CarbonylContact C-O 3.54Å; K78-T413 WeakPolarHBondContact CA-O 3.39Å; F79-T413 WeakPolarHBondContact CB-O 3.32Å; F79-T413 PolarHBondContact N-O 2.87Å; Q323-T413 WeakPolarHBondContact CG-OG1 3.2Å; Q323-T413 PolarHBondContact NE2-OG1 3.14Å
414H93.7Very high96.4Very high7 Ų720.4 Ų20.43%0.03211%0.112CC..BIsolated β-bridgetrans-131.3164.9-179.656.468.3000111.6K78 F79 L195 S412K78-H414 PolarHBondContact NZ-O 3.13Å; F79-H414 WeakPolarHBondContact O-CA 3.32Å; L195-H414 HydrophobicContact CD1-CB 4.32Å; S412-H414 VanDerWaalsContact C-N 3.25Å; S412-H414 PolarHBondContact O-N 3.48Å; S412-H414 PolarHBondContact OG-O 3.32Å
415F94.1Very high96.4Very high3 Ų320.1 Ų20.11%0.01311%0.111CC..SBendtrans-91.82.9-177.8-77.8-67.6000115.4L14 K78 F79 L80 L86 L236 L239 S417 T418 C419L14-F415 HydrophobicContact CD2-CD1 3.99Å; L14-F415 HydrophobicContact CD2-CE1 3.31Å; L14-F415 HydrophobicContact CD2-CZ 3.64Å; K78-F415 HydrophobicContact CB-CD1 3.87Å; K78-F415 HydrophobicContact CB-CD2 3.69Å; K78-F415 HydrophobicContact CB-CE1 3.64Å; K78-F415 HydrophobicContact CB-CE2 3.47Å; K78-F415 VanDerWaalsContact CB-CE2 3.47Å; K78-F415 HydrophobicContact CB-CG 3.91Å; K78-F415 HydrophobicContact CB-CZ 3.47Å; K78-F415 VanDerWaalsContact CB-CZ 3.47Å; K78-F415 HydrophobicContact CD-CD1 3.62Å; K78-F415 HydrophobicContact CD-CE1 3.6Å; K78-F415 HydrophobicContact CD-CG 4.31Å; K78-F415 HydrophobicContact CD-CZ 4.31Å; K78-F415 HydrophobicContact CG-CD1 4.4Å; K78-F415 HydrophobicContact CG-CE1 4.23Å; K78-F415 HydrophobicContact CG-CZ 4.46Å; K78-F415 VanDerWaalsContact O-CE2 3.23Å; K78-F415 WeakPolarHBondContact O-CE2 3.42Å; F79-F415 PolarHBondContact O-N 2.69Å; L80-F415 HydrophobicContact CD1-CD2 4.2Å; L80-F415 HydrophobicContact CD1-CE2 4.01Å; L80-F415 HydrophobicContact CG-CD2 3.89Å; L80-F415 HydrophobicContact CG-CE2 4.17Å; L86-F415 HydrophobicContact CD2-CB 3.48Å; L86-F415 VanDerWaalsContact CD2-CB 3.48Å; L86-F415 HydrophobicContact CD2-CD1 4.14Å; L86-F415 HydrophobicContact CD2-CD2 3.67Å; L86-F415 HydrophobicContact CD2-CE2 4.36Å; L86-F415 HydrophobicContact CD2-CG 3.51Å; L236-F415 HydrophobicContact CD1-CE2 4.38Å; L236-F415 HydrophobicContact CD1-CZ 4Å; L236-F415 HydrophobicContact CD2-CE2 3.73Å; L236-F415 HydrophobicContact CD2-CZ 3.84Å; L236-F415 HydrophobicContact CG-CZ 4.49Å; L239-F415 HydrophobicContact CD1-CZ 4.47Å; F415-S417 PolarHBondContact O-N 2.99Å; F415-T418 HydrophobicContact CD1-CG2 3.82Å; F415-T418 HydrophobicContact CE1-CG2 4.38Å; F415-T418 CarbonylContact O-C 3.59Å; F415-T418 WeakPolarHBondContact O-CA 3.42Å; F415-T418 WeakPolarHBondContact O-CB 3.45Å; F415-T418 PolarHBondContact O-N 3.31Å; F415-C419 WeakPolarHBondContact O-CB 2.94Å; F415-C419 PolarHBondContact O-N 3.42Å
416E93Very high96.4Very high42 Ų4221 Ų2120%0.19611%0.114CC..Hα-helixtrans-54.1-49.2-173.8-62-54.8114.900114M81 L195 T418 C419 A420M81-E416 WeakPolarHBondContact CB-OE1 3.49Å; L195-E416 HydrophobicContact CD1-CG 4.4Å; E416-T418 VanDerWaalsContact C-N 3.33Å; E416-T418 PolarHBondContact O-N 3.47Å; E416-C419 PolarHBondContact O-N 3.27Å; E416-A420 WeakPolarHBondContact O-CB 3.41Å; E416-A420 PolarHBondContact O-N 2.8Å
417S93.5Very high96.3Very high46 Ų4625 Ų2532%0.32213%0.133SC..Hα-helixtrans-66.9-34.217658.60000112.8D410 F415 A420 D421D410-S417 VanDerWaalsContact OD2-CB 3.28Å; D410-S417 WeakPolarHBondContact OD2-CB 3.25Å; D410-S417 PolarHBondContact OD2-OG 3.02Å; F415-S417 PolarHBondContact O-N 2.99Å; S417-A420 PolarHBondContact O-N 2.98Å; S417-D421 PolarHBondContact O-N 2.94Å; S417-D421 VanDerWaalsContact O-N 3.08Å
418T95.3Very high96.3Very high1 Ų123.1 Ų23.11%0.00612%0.124CC..Hα-helixtrans-66.3-44.5176.8-61.20000110.9K15 Y409 F415 E416 D421 V422K15-T418 HydrophobicContact CD-CG2 4.34Å; K15-T418 HydrophobicContact CG-CG2 3.78Å; Y409-T418 HydrophobicContact CD1-CG2 4.34Å; Y409-T418 HydrophobicContact CE1-CG2 3.79Å; F415-T418 HydrophobicContact CD1-CG2 3.82Å; F415-T418 HydrophobicContact CE1-CG2 4.38Å; F415-T418 CarbonylContact O-C 3.59Å; F415-T418 WeakPolarHBondContact O-CA 3.42Å; F415-T418 WeakPolarHBondContact O-CB 3.45Å; F415-T418 PolarHBondContact O-N 3.31Å; E416-T418 VanDerWaalsContact C-N 3.33Å; E416-T418 PolarHBondContact O-N 3.47Å; T418-D421 PolarHBondContact O-N 2.98Å; T418-V422 WeakPolarHBondContact O-CG2 3.49Å; T418-V422 PolarHBondContact O-N 3.42Å; T418-V422 VanDerWaalsContact O-N 3.1Å
419C96.6Very high96.4Very high3 Ų322.1 Ų22.12%0.0212%0.117CC..Hα-helixtrans-68.5-38177.8-1710000111.6K85 L86 F415 E416 D421 V422 L423K85-C419 VanDerWaalsContact CB-SG 3.59Å; L86-C419 HydrophobicContact CB-CB 4.21Å; L86-C419 PolarHBondContact N-SG 3.46Å; F415-C419 WeakPolarHBondContact O-CB 2.94Å; F415-C419 PolarHBondContact O-N 3.42Å; E416-C419 PolarHBondContact O-N 3.27Å; C419-D421 VanDerWaalsContact C-N 3.34Å; C419-V422 PolarHBondContact O-N 3.09Å; C419-L423 VanDerWaalsContact O-CG 3.27Å; C419-L423 WeakPolarHBondContact O-CG 3.33Å; C419-L423 PolarHBondContact O-N 2.89Å
420A96.1Very high96.3Very high42 Ų4223.5 Ų23.535%0.34713%0.127SC..Hα-helixtrans-59.1-46.6174.100000111.3E416 S417 V422 L423 E424E416-A420 WeakPolarHBondContact O-CB 3.41Å; E416-A420 PolarHBondContact O-N 2.8Å; S417-A420 PolarHBondContact O-N 2.98Å; A420-V422 PolarHBondContact O-N 3.41Å; A420-L423 PolarHBondContact O-N 2.89Å; A420-E424 WeakPolarHBondContact O-CG 3.39Å; A420-E424 PolarHBondContact O-N 3.41Å
421D97.9Very high96.4Very high2 Ų223.9 Ų23.91%0.01114%0.141CC..Hα-helixtrans-62-42.1178.1-167.244.2000112.6K15 K407 S417 T418 C419 L423 E424 M425K15-D421 WeakPolarHBondContact CD-OD2 3.29Å; K15-D421 WeakPolarHBondContact CE-OD2 3.39Å; K15-D421 IonicContact NZ-OD2 3.8Å; K15-D421 PolarHBondContact NZ-OD2 3.26Å; K407-D421 WeakPolarHBondContact CD-OD1 3.49Å; K407-D421 WeakPolarHBondContact CE-OD1 3.41Å; K407-D421 WeakPolarHBondContact CG-OD1 3.41Å; K407-D421 PolarHBondContact N-OD2 3.23Å; K407-D421 IonicContact NZ-OD1 3.03Å; S417-D421 PolarHBondContact O-N 2.94Å; S417-D421 VanDerWaalsContact O-N 3.08Å; T418-D421 PolarHBondContact O-N 2.98Å; C419-D421 VanDerWaalsContact C-N 3.34Å; D421-L423 VanDerWaalsContact C-N 3.34Å; D421-L423 PolarHBondContact O-N 3.46Å; D421-E424 PolarHBondContact O-N 2.83Å; D421-M425 WeakPolarHBondContact O-CB 3.38Å; D421-M425 VanDerWaalsContact O-CG 3.3Å; D421-M425 WeakPolarHBondContact O-CG 3.38Å; D421-M425 PolarHBondContact O-N 3.25Å
422V97.9Very high96.3Very high0 Ų027.1 Ų27.10%016%0.163CC..Hα-helixtrans-59-44.7173.9168.20000111.6K15 I18 L19 L89 T418 C419 A420 M425 Y426K15-V422 HydrophobicContact CB-CG2 3.81Å; K15-V422 HydrophobicContact CG-CG2 3.8Å; I18-V422 HydrophobicContact CB-CG1 4.24Å; I18-V422 HydrophobicContact CD1-CG2 4.18Å; I18-V422 HydrophobicContact CG2-CG1 3.63Å; L19-V422 HydrophobicContact CD2-CG1 4.2Å; L19-V422 HydrophobicContact CG-CG1 4.33Å; L89-V422 HydrophobicContact CD1-CG1 4.41Å; T418-V422 WeakPolarHBondContact O-CG2 3.49Å; T418-V422 PolarHBondContact O-N 3.42Å; T418-V422 VanDerWaalsContact O-N 3.1Å; C419-V422 PolarHBondContact O-N 3.09Å; A420-V422 PolarHBondContact O-N 3.41Å; V422-M425 PolarHBondContact O-N 3.27Å; V422-Y426 WeakPolarHBondContact O-CB 3.23Å; V422-Y426 PolarHBondContact O-N 2.71Å
423L98.1Very high96.4Very high25 Ų2531.1 Ų31.113%0.13119%0.189CC..Hα-helixtrans-69.5-40.6-179-68.4169000112.1K85 L89 C419 A420 D421 Y426 E427 F434 F436K85-L423 HydrophobicContact CB-CD1 4.43Å; K85-L423 HydrophobicContact CD-CD1 3.67Å; L89-L423 HydrophobicContact CD1-CD2 4.17Å; L89-L423 HydrophobicContact CD2-CD2 4.39Å; C419-L423 VanDerWaalsContact O-CG 3.27Å; C419-L423 WeakPolarHBondContact O-CG 3.33Å; C419-L423 PolarHBondContact O-N 2.89Å; A420-L423 PolarHBondContact O-N 2.89Å; D421-L423 VanDerWaalsContact C-N 3.34Å; D421-L423 PolarHBondContact O-N 3.46Å; L423-Y426 PolarHBondContact O-N 2.76Å; L423-E427 PolarHBondContact O-N 3.15Å; L423-F434 HydrophobicContact CD2-CB 3.71Å; L423-F434 HydrophobicContact CD2-CD1 4.48Å; L423-F434 HydrophobicContact CD2-CG 4.27Å; L423-F436 HydrophobicContact CD1-CE2 3.9Å; L423-F436 HydrophobicContact CD1-CZ 3.89Å; L423-F436 HydrophobicContact CD2-CE2 3.79Å; L423-F436 HydrophobicContact CD2-CZ 3.77Å; L423-F436 HydrophobicContact CG-CZ 4.47Å
424E98Very high96.4Very high88 Ų8832.1 Ų32.141%0.41119%0.194SC..Hα-helixtrans-61-43.5172.8-74.5172-163.600111.2K407 A420 D421 R428K407-E424 IonicContact NZ-OE2 3.6Å; K407-E424 PolarHBondContact NZ-OE2 3.11Å; A420-E424 WeakPolarHBondContact O-CG 3.39Å; A420-E424 PolarHBondContact O-N 3.41Å; D421-E424 PolarHBondContact O-N 2.83Å; E424-R428 VanDerWaalsContact O-CG 3.24Å; E424-R428 WeakPolarHBondContact O-CG 3.33Å; E424-R428 PolarHBondContact O-N 2.93Å; E424-R428 VanDerWaalsContact O-N 3.1Å; E424-R428 PolarHBondContact O-NE 2.96Å
425M98.4Very high96.5Very high0 Ų034.9 Ų34.90%021%0.209CC..Hα-helixtrans-64.2-46.6175.1-74.9-178.879.300111.6L19 I286 Y404 S406 D421 V422 E427 R428 I429L19-M425 HydrophobicContact CD1-CB 3.78Å; L19-M425 HydrophobicContact CD1-CE 3.63Å; L19-M425 HydrophobicContact CD1-CG 4.39Å; L19-M425 HydrophobicContact CD1-SD 3.72Å; L19-M425 HydrophobicContact CD2-CB 4.22Å; I286-M425 HydrophobicContact CG2-CE 3.83Å; Y404-M425 WeakPolarHBondContact O-CE 3.31Å; S406-M425 WeakPolarHBondContact CA-SD 3.33Å; S406-M425 VanDerWaalsContact CB-SD 3.51Å; D421-M425 WeakPolarHBondContact O-CB 3.38Å; D421-M425 VanDerWaalsContact O-CG 3.3Å; D421-M425 WeakPolarHBondContact O-CG 3.38Å; D421-M425 PolarHBondContact O-N 3.25Å; V422-M425 PolarHBondContact O-N 3.27Å; M425-E427 VanDerWaalsContact C-N 3.31Å; M425-E427 PolarHBondContact O-N 3.02Å; M425-R428 PolarHBondContact O-N 3.21Å; M425-R428 VanDerWaalsContact O-N 3.1Å; M425-I429 HydrophobicContact CB-CD1 4.28Å; M425-I429 WeakPolarHBondContact O-CB 3.43Å; M425-I429 VanDerWaalsContact O-CD1 3.31Å; M425-I429 WeakPolarHBondContact O-CD1 3.45Å; M425-I429 WeakPolarHBondContact O-CG1 3.16Å; M425-I429 PolarHBondContact O-N 3.45Å
426Y98.2Very high96.4Very high23 Ų2337.3 Ų37.39%0.0922%0.219CC..Hα-helixtrans-53.2-50177.5176.1-85.4000110.8L22 M23 E26 V422 L423 R428 I429 T430 S432 F434L22-Y426 HydrophobicContact CB-CD2 4.28Å; L22-Y426 HydrophobicContact CB-CE2 4.25Å; L22-Y426 HydrophobicContact CD1-CD2 3.89Å; L22-Y426 HydrophobicContact CD1-CE2 4.37Å; M23-Y426 HydrophobicContact CE-CD2 3.6Å; M23-Y426 HydrophobicContact CE-CE2 3.52Å; E26-Y426 WeakPolarHBondContact OE1-CE2 3.43Å; E26-Y426 PolarHBondContact OE1-OH 3.02Å; V422-Y426 WeakPolarHBondContact O-CB 3.23Å; V422-Y426 PolarHBondContact O-N 2.71Å; L423-Y426 PolarHBondContact O-N 2.76Å; Y426-R428 VanDerWaalsContact C-N 3.33Å; Y426-R428 PolarHBondContact O-N 2.85Å; Y426-I429 PolarHBondContact O-N 2.75Å; Y426-I429 VanDerWaalsContact O-N 3.16Å; Y426-T430 HydrophobicContact CD1-CG2 4.36Å; Y426-T430 HydrophobicContact CD2-CG2 4.14Å; Y426-T430 HydrophobicContact CE1-CG2 4.08Å; Y426-T430 HydrophobicContact CE2-CG2 3.83Å; Y426-T430 HydrophobicContact CG-CG2 4.39Å; Y426-T430 WeakPolarHBondContact O-CG2 3.35Å; Y426-T430 PolarHBondContact O-N 3.37Å; Y426-T430 PolarHBondContact O-OG1 3.44Å; Y426-S432 WeakPolarHBondContact CE1-O 3.49Å; Y426-F434 HydrophobicContact CD1-CB 3.77Å; Y426-F434 VanDerWaalsContact CE1-CA 3.48Å; Y426-F434 HydrophobicContact CE1-CB 3.71Å; Y426-F434 HydrophobicContact CE1-CD2 4.09Å; Y426-F434 HydrophobicContact CE1-CG 4.41Å; Y426-F434 HydrophobicContact CE2-CD2 4.05Å; Y426-F434 HydrophobicContact CG-CB 4.41Å; Y426-F434 AromaticContact CZ-CD2 3.8Å
427E98.1Very high96.3Very high84 Ų8439.8 Ų39.839%0.39324%0.241SC..Hα-helixtrans-62.6-37.8178.2-178.5176.9172.400112.9L423 M425 I429 G431 S432L423-E427 PolarHBondContact O-N 3.15Å; M425-E427 VanDerWaalsContact C-N 3.31Å; M425-E427 PolarHBondContact O-N 3.02Å; E427-I429 VanDerWaalsContact C-N 3.33Å; E427-G431 WeakPolarHBondContact O-CA 3.4Å; E427-G431 PolarHBondContact O-N 3.12Å; E427-S432 WeakPolarHBondContact CA-O 3.48Å
428R97.9Very high96Very high28 Ų2843.9 Ų43.911%0.10625%0.253CS..Hα-helixtrans-67.2-35175.7-70.5-178.9-66.7158.8-11.7112.5D397 Y404 E424 M425 Y426D397-R428 VanDerWaalsContact CG-CD 3.42Å; D397-R428 WeakPolarHBondContact O-CD 3.33Å; D397-R428 PolarHBondContact O-NH1 2.78Å; D397-R428 VanDerWaalsContact OD1-CD 3.25Å; D397-R428 WeakPolarHBondContact OD1-CD 3.12Å; D397-R428 WeakPolarHBondContact OD1-CG 3.41Å; Y404-R428 HydrophobicContact CD1-CB 3.97Å; Y404-R428 VanDerWaalsContact CE1-C 3.5Å; Y404-R428 HydrophobicContact CE1-CB 3.82Å; Y404-R428 VanDerWaalsContact CE1-O 3.3Å; Y404-R428 WeakPolarHBondContact CE1-O 3.48Å; Y404-R428 PolarHBondContact OH-O 3.01Å; E424-R428 VanDerWaalsContact O-CG 3.24Å; E424-R428 WeakPolarHBondContact O-CG 3.33Å; E424-R428 PolarHBondContact O-N 2.93Å; E424-R428 VanDerWaalsContact O-N 3.1Å; E424-R428 PolarHBondContact O-NE 2.96Å; M425-R428 PolarHBondContact O-N 3.21Å; M425-R428 VanDerWaalsContact O-N 3.1Å; Y426-R428 VanDerWaalsContact C-N 3.33Å; Y426-R428 PolarHBondContact O-N 2.85Å
429I98Very high95.5Very high3 Ų345.1 Ų45.12%0.01526%0.261CS..Hα-helixtrans-76.7-48.1180-67.2157.8000111.1I7 L19 M23 K284 I286 Y404 M425 Y426 E427I7-I429 HydrophobicContact CD1-CG2 4.22Å; L19-I429 HydrophobicContact CD1-CD1 4.3Å; L19-I429 HydrophobicContact CD2-CD1 4.17Å; M23-I429 HydrophobicContact SD-CG2 3.71Å; K284-I429 HydrophobicContact CD-CG2 4.22Å; K284-I429 PolarHBondContact NZ-O 3.45Å; I286-I429 HydrophobicContact CD1-CD1 3.52Å; I286-I429 HydrophobicContact CG1-CD1 3.83Å; Y404-I429 HydrophobicContact CD1-CG1 3.7Å; Y404-I429 HydrophobicContact CD2-CG1 3.69Å; Y404-I429 HydrophobicContact CE1-CG1 3.99Å; Y404-I429 HydrophobicContact CE2-CG1 4Å; Y404-I429 HydrophobicContact CG-CD1 4.24Å; Y404-I429 HydrophobicContact CG-CG1 3.51Å; M425-I429 HydrophobicContact CB-CD1 4.28Å; M425-I429 WeakPolarHBondContact O-CB 3.43Å; M425-I429 VanDerWaalsContact O-CD1 3.31Å; M425-I429 WeakPolarHBondContact O-CD1 3.45Å; M425-I429 WeakPolarHBondContact O-CG1 3.16Å; M425-I429 PolarHBondContact O-N 3.45Å; Y426-I429 PolarHBondContact O-N 2.75Å; Y426-I429 VanDerWaalsContact O-N 3.16Å; E427-I429 VanDerWaalsContact C-N 3.33Å
430T96.6Very high94.8Very high46 Ų4650.9 Ų50.928%0.28230%0.296SS..Hα-helixtrans-89.9-23-173.464.70000113M23 Y426 S432M23-T430 HydrophobicContact CE-CG2 3.54Å; M23-T430 HydrophobicContact SD-CG2 4.17Å; Y426-T430 HydrophobicContact CD1-CG2 4.36Å; Y426-T430 HydrophobicContact CD2-CG2 4.14Å; Y426-T430 HydrophobicContact CE1-CG2 4.08Å; Y426-T430 HydrophobicContact CE2-CG2 3.83Å; Y426-T430 HydrophobicContact CG-CG2 4.39Å; Y426-T430 WeakPolarHBondContact O-CG2 3.35Å; Y426-T430 PolarHBondContact O-N 3.37Å; Y426-T430 PolarHBondContact O-OG1 3.44Å; T430-S432 VanDerWaalsContact C-N 3.35Å; T430-S432 PolarHBondContact OG1-N 2.86Å; T430-S432 PolarHBondContact OG1-O 3.12Å
431G96Very high94.1Very high51 Ų5152.8 Ų52.853%0.52629%0.294SS..SBendtrans829.5-172.400000113.8E427E427-G431 WeakPolarHBondContact O-CA 3.4Å; E427-G431 PolarHBondContact O-N 3.12Å
432S96Very high93.4Very high72 Ų7256.2 Ų56.250%0.50331%0.312SS..SBendtrans-148144.6177.8-66.70000111.6Y426 E427 T430Y426-S432 WeakPolarHBondContact CE1-O 3.49Å; E427-S432 WeakPolarHBondContact CA-O 3.48Å; T430-S432 VanDerWaalsContact C-N 3.35Å; T430-S432 PolarHBondContact OG1-N 2.86Å; T430-S432 PolarHBondContact OG1-O 3.12Å
433P96.3Very high92.5Very high88 Ų8857.1 Ų57.157%0.57132%0.317SS*.  trans-63.7149.8177.828.1-35.4000110.6D435P433-D435 PolarHBondContact O-N 3.42Å
434F95.8Very high91.6Very high20 Ų2059.7 Ų59.79%0.08833%0.329CS..  trans-64125.4174.2-176.8-91000110.3L22 L89 H92 L423 Y426 F436 V439L22-F434 HydrophobicContact CD2-CD2 4.35Å; L22-F434 HydrophobicContact CD2-CE2 3.81Å; L89-F434 HydrophobicContact CD2-CD1 3.76Å; L89-F434 HydrophobicContact CD2-CD2 4.15Å; L89-F434 HydrophobicContact CD2-CE1 3.58Å; L89-F434 HydrophobicContact CD2-CE2 3.99Å; L89-F434 HydrophobicContact CD2-CG 4.05Å; L89-F434 HydrophobicContact CD2-CZ 3.71Å; H92-F434 HydrophobicContact CB-CZ 4.34Å; H92-F434 AromaticContact CD2-CE2 3.77Å; H92-F434 AromaticContact CD2-CZ 3.44Å; H92-F434 VanDerWaalsContact CD2-CZ 3.44Å; H92-F434 WeakPolarHBondContact CD2-CZ 3.36Å; H92-F434 AromaticContact CG-CZ 3.73Å; H92-F434 AromaticContact NE2-CE2 3.84Å; H92-F434 AromaticContact NE2-CZ 3.71Å; L423-F434 HydrophobicContact CD2-CB 3.71Å; L423-F434 HydrophobicContact CD2-CD1 4.48Å; L423-F434 HydrophobicContact CD2-CG 4.27Å; Y426-F434 HydrophobicContact CD1-CB 3.77Å; Y426-F434 VanDerWaalsContact CE1-CA 3.48Å; Y426-F434 HydrophobicContact CE1-CB 3.71Å; Y426-F434 HydrophobicContact CE1-CD2 4.09Å; Y426-F434 HydrophobicContact CE1-CG 4.41Å; Y426-F434 HydrophobicContact CE2-CD2 4.05Å; Y426-F434 HydrophobicContact CG-CB 4.41Å; Y426-F434 AromaticContact CZ-CD2 3.8Å; F434-F436 HydrophobicContact CD1-CD1 4.05Å; F434-F436 AromaticContact CD1-CD2 3.81Å; F434-F436 HydrophobicContact CD1-CD2 3.81Å; F434-F436 HydrophobicContact CD1-CE1 4.01Å; F434-F436 AromaticContact CD1-CE2 3.77Å; F434-F436 HydrophobicContact CD1-CE2 3.77Å; F434-F436 AromaticContact CD1-CG 3.95Å; F434-F436 HydrophobicContact CD1-CG 3.95Å; F434-F436 AromaticContact CD1-CZ 3.87Å; F434-F436 HydrophobicContact CD1-CZ 3.87Å; F434-F436 AromaticContact CE1-CD1 3.92Å; F434-F436 HydrophobicContact CE1-CD1 3.92Å; F434-F436 HydrophobicContact CE1-CD2 4.45Å; F434-F436 HydrophobicContact CE1-CE1 4.03Å; F434-F436 HydrophobicContact CE1-CG 4.14Å; F434-F436 HydrophobicContact CE1-CZ 4.35Å; F434-F436 PolarHBondContact O-N 3.42Å; F434-V439 HydrophobicContact CE1-CG2 4.1Å; F434-V439 HydrophobicContact CZ-CG2 4.42Å
435D94.3Very high90.5Very high66 Ų6659.9 Ų59.935%0.35333%0.332SS..  trans-86.994-177.6-179.28.1000111.3P433 S437 K438P433-D435 PolarHBondContact O-N 3.42Å; D435-S437 PolarHBondContact O-N 3.25Å; D435-S437 VanDerWaalsContact O-N 3.16Å; D435-S437 VanDerWaalsContact OD1-CB 3.23Å; D435-S437 WeakPolarHBondContact OD1-CB 3.28Å; D435-S437 PolarHBondContact OD1-N 2.9Å; D435-S437 PolarHBondContact OD1-OG 2.97Å; D435-S437 PolarHBondContact OD2-OG 3.47Å; D435-K438 HydrophobicContact CB-CD 4.1Å; D435-K438 HydrophobicContact CB-CG 4.25Å; D435-K438 WeakPolarHBondContact O-CB 3.35Å; D435-K438 PolarHBondContact O-N 2.94Å; D435-K438 VanDerWaalsContact O-N 3.16Å; D435-K438 VanDerWaalsContact OD2-CE 3.31Å; D435-K438 WeakPolarHBondContact OD2-CE 3.19Å
436F92.5Very high89.1Confident54 Ų5461.5 Ų61.524%0.23734%0.341CS..G310 helixtrans-63.7-15177.2-77.6-81.4000114.1K85 K88 L89 L423 F434 K438 V439K85-F436 HydrophobicContact CB-CE1 4.01Å; K85-F436 HydrophobicContact CB-CZ 3.72Å; K85-F436 HydrophobicContact CD-CE2 4.05Å; K85-F436 HydrophobicContact CD-CZ 4.01Å; K85-F436 HydrophobicContact CG-CE1 4.23Å; K85-F436 HydrophobicContact CG-CE2 4.29Å; K85-F436 HydrophobicContact CG-CZ 3.86Å; K88-F436 HydrophobicContact CB-CD1 3.99Å; K88-F436 HydrophobicContact CB-CE1 3.96Å; K88-F436 HydrophobicContact CD-CD1 4.41Å; L89-F436 HydrophobicContact CD2-CE1 4.17Å; L89-F436 HydrophobicContact CD2-CZ 4.21Å; L89-F436 HydrophobicContact CG-CE1 4.1Å; L89-F436 HydrophobicContact CG-CZ 4.2Å; L423-F436 HydrophobicContact CD1-CE2 3.9Å; L423-F436 HydrophobicContact CD1-CZ 3.89Å; L423-F436 HydrophobicContact CD2-CE2 3.79Å; L423-F436 HydrophobicContact CD2-CZ 3.77Å; L423-F436 HydrophobicContact CG-CZ 4.47Å; F434-F436 HydrophobicContact CD1-CD1 4.05Å; F434-F436 AromaticContact CD1-CD2 3.81Å; F434-F436 HydrophobicContact CD1-CD2 3.81Å; F434-F436 HydrophobicContact CD1-CE1 4.01Å; F434-F436 AromaticContact CD1-CE2 3.77Å; F434-F436 HydrophobicContact CD1-CE2 3.77Å; F434-F436 AromaticContact CD1-CG 3.95Å; F434-F436 HydrophobicContact CD1-CG 3.95Å; F434-F436 AromaticContact CD1-CZ 3.87Å; F434-F436 HydrophobicContact CD1-CZ 3.87Å; F434-F436 AromaticContact CE1-CD1 3.92Å; F434-F436 HydrophobicContact CE1-CD1 3.92Å; F434-F436 HydrophobicContact CE1-CD2 4.45Å; F434-F436 HydrophobicContact CE1-CE1 4.03Å; F434-F436 HydrophobicContact CE1-CG 4.14Å; F434-F436 HydrophobicContact CE1-CZ 4.35Å; F434-F436 PolarHBondContact O-N 3.42Å; F436-K438 PolarHBondContact O-N 3.17Å; F436-V439 HydrophobicContact CD1-CG2 4.25Å; F436-V439 WeakPolarHBondContact O-CB 3.16Å; F436-V439 PolarHBondContact O-N 3.35Å; F436-V439 VanDerWaalsContact O-N 3.09Å
437S90.4Very high87.3Confident93 Ų9367.5 Ų67.565%0.6539%0.387SS*.G310 helixtrans-67.5-19175.277.40000112.6D435 V439D435-S437 PolarHBondContact O-N 3.25Å; D435-S437 VanDerWaalsContact O-N 3.16Å; D435-S437 VanDerWaalsContact OD1-CB 3.23Å; D435-S437 WeakPolarHBondContact OD1-CB 3.28Å; D435-S437 PolarHBondContact OD1-N 2.9Å; D435-S437 PolarHBondContact OD1-OG 2.97Å; D435-S437 PolarHBondContact OD2-OG 3.47Å; S437-V439 PolarHBondContact O-N 2.74Å
438K87Confident86.7Confident132 Ų13266.7 Ų66.757%0.57439%0.386SS*.G310 helixtrans-75.9-9.6173.3-61.4177.3-177.8173.10113.3D435 F436 T440D435-K438 HydrophobicContact CB-CD 4.1Å; D435-K438 HydrophobicContact CB-CG 4.25Å; D435-K438 WeakPolarHBondContact O-CB 3.35Å; D435-K438 PolarHBondContact O-N 2.94Å; D435-K438 VanDerWaalsContact O-N 3.16Å; D435-K438 VanDerWaalsContact OD2-CE 3.31Å; D435-K438 WeakPolarHBondContact OD2-CE 3.19Å; F436-K438 PolarHBondContact O-N 3.17Å; K438-T440 PolarHBondContact O-N 3.43Å
439V85.4Confident86.2Confident27 Ų2768.7 Ų68.716%0.16440%0.401CS..  trans-85.593.5175.8-168.70000108.5K88 H92 F434 F436 S437K88-V439 HydrophobicContact CB-CG1 4.22Å; K88-V439 WeakPolarHBondContact O-CG1 3.3Å; H92-V439 HydrophobicContact CB-CG1 4.32Å; H92-V439 HydrophobicContact CB-CG2 3.79Å; F434-V439 HydrophobicContact CE1-CG2 4.1Å; F434-V439 HydrophobicContact CZ-CG2 4.42Å; F436-V439 HydrophobicContact CD1-CG2 4.25Å; F436-V439 WeakPolarHBondContact O-CB 3.16Å; F436-V439 PolarHBondContact O-N 3.35Å; F436-V439 VanDerWaalsContact O-N 3.09Å; S437-V439 PolarHBondContact O-N 2.74Å
440T81.7Confident85.5Confident124 Ų12472.4 Ų72.476%0.76142%0.422SS*.  trans-96.1-13.2-178.254.80000113.8K438K438-T440 PolarHBondContact O-N 3.43Å
441R82.5Confident84.9Confident82 Ų8273.9 Ų73.931%0.30943%0.431SS..  trans-97160.7178.5-72.5173.870.3133.55.8111.9V91 D445 D446V91-R441 HydrophobicContact CG1-CB 3.44Å; V91-R441 VanDerWaalsContact CG1-CB 3.44Å; V91-R441 WeakPolarHBondContact CG1-O 3.3Å; R441-D445 VanDerWaalsContact CA-OD2 3.31Å; R441-D445 WeakPolarHBondContact CA-OD2 3.41Å; R441-D445 PolarHBondContact NH2-O 3.15Å; R441-D446 IonicContact CZ-OD1 3.64Å; R441-D446 VanDerWaalsContact CZ-OD1 3.23Å; R441-D446 IonicContact NE-OD1 3.87Å; R441-D446 PolarHBondContact NE-OD1 2.89Å; R441-D446 IonicContact NH2-OD1 3.96Å; R441-D446 PolarHBondContact NH2-OD1 3.46Å; R441-D446 IonicContact NH2-OD2 2.88Å
442N81.9Confident84.2Confident74 Ų7475.4 Ų75.440%0.39643%0.425SS..  trans-120.5163175.3-83.4-46.7000110.9R223 E444 D445R223-N442 PolarHBondContact NH1-OD1 3.44Å; R223-N442 PolarHBondContact NH2-OD1 3.41Å; N442-E444 WeakPolarHBondContact CB-OE2 3.41Å; N442-E444 PolarHBondContact O-N 3.2Å; N442-D445 PolarHBondContact N-OD2 3.4Å; N442-D445 WeakPolarHBondContact O-CB 3.3Å; N442-D445 PolarHBondContact O-N 2.7Å
443L80.4Confident83.4Confident19 Ų1975.6 Ų75.610%0.09942%0.419CS..G310 helixtrans-61.7-32.1-179.4-168.966.9000112.2V87 V91 T96 F101 F224 L230 D445 D446V87-L443 HydrophobicContact CG1-CB 4.42Å; V87-L443 HydrophobicContact CG1-CD2 4.46Å; V91-L443 HydrophobicContact CG2-CB 4.33Å; V91-L443 HydrophobicContact CG2-CD1 4.19Å; T96-L443 HydrophobicContact CG2-CD1 3.41Å; T96-L443 VanDerWaalsContact CG2-CD1 3.41Å; F101-L443 HydrophobicContact CB-CD2 4.48Å; F101-L443 HydrophobicContact CD2-CD1 4.01Å; F101-L443 HydrophobicContact CD2-CD2 4.17Å; F101-L443 HydrophobicContact CE2-CD1 4.13Å; F101-L443 HydrophobicContact CG-CD2 4.48Å; F224-L443 HydrophobicContact CZ-CD2 3.94Å; L230-L443 HydrophobicContact CD1-CD2 3.64Å; L443-D445 VanDerWaalsContact C-N 3.25Å; L443-D445 PolarHBondContact O-N 2.98Å; L443-D446 PolarHBondContact O-N 3.03Å
444E78.9Confident82.4Confident80 Ų8074.7 Ų74.737%0.37441%0.409SS..G310 helixtrans-72.3-15.1176.8-55.986168.800113.3R223 N442 D446 S447R223-E444 WeakPolarHBondContact CG-OE1 3.22Å; R223-E444 IonicContact CZ-OE1 3.5Å; R223-E444 IonicContact CZ-OE2 3.31Å; R223-E444 IonicContact NE-OE1 3.53Å; R223-E444 PolarHBondContact NE-OE1 2.8Å; R223-E444 IonicContact NE-OE2 2.89Å; R223-E444 PolarHBondContact NE-OE2 2.7Å; R223-E444 IonicContact NH2-OE1 2.69Å; R223-E444 IonicContact NH2-OE2 3.25Å; R223-E444 PolarHBondContact NH2-OE2 3.11Å; N442-E444 WeakPolarHBondContact CB-OE2 3.41Å; N442-E444 PolarHBondContact O-N 3.2Å; E444-D446 PolarHBondContact O-N 3.25Å; E444-S447 PolarHBondContact O-OG 2.95Å; E444-S447 VanDerWaalsContact O-OG 3.06Å
445D74.8Confident81.4Confident91 Ų9178.9 Ų78.949%0.48743%0.433SS..G310 helixtrans-77.1-9.9173.6-58-32.4000111.8R441 N442 L443R441-D445 VanDerWaalsContact CA-OD2 3.31Å; R441-D445 WeakPolarHBondContact CA-OD2 3.41Å; R441-D445 PolarHBondContact NH2-O 3.15Å; N442-D445 PolarHBondContact N-OD2 3.4Å; N442-D445 WeakPolarHBondContact O-CB 3.3Å; N442-D445 PolarHBondContact O-N 2.7Å; L443-D445 VanDerWaalsContact C-N 3.25Å; L443-D445 PolarHBondContact O-N 2.98Å
446D68.6Low80.3Confident35 Ų3580 Ų8019%0.18744%0.44CS..  trans-104.8-14.5-178.7-71.836.9000112.9T96 R97 R441 L443 E444T96-D446 VanDerWaalsContact CB-OD2 3.31Å; T96-D446 WeakPolarHBondContact CB-OD2 3.37Å; T96-D446 PolarHBondContact OG1-OD2 2.94Å; R97-D446 WeakPolarHBondContact CG-OD2 3.45Å; R97-D446 PolarHBondContact N-OD2 3.2Å; R441-D446 IonicContact CZ-OD1 3.64Å; R441-D446 VanDerWaalsContact CZ-OD1 3.23Å; R441-D446 IonicContact NE-OD1 3.87Å; R441-D446 PolarHBondContact NE-OD1 2.89Å; R441-D446 IonicContact NH2-OD1 3.96Å; R441-D446 PolarHBondContact NH2-OD1 3.46Å; R441-D446 IonicContact NH2-OD2 2.88Å; L443-D446 PolarHBondContact O-N 3.03Å; E444-D446 PolarHBondContact O-N 3.25Å
447S60.2Low79.2Confident149 Ų14982.4 Ų82.4100%1.04246%0.458SS*.  trans-89.90174.561.70000111.8E444E444-S447 PolarHBondContact O-OG 2.95Å; E444-S447 VanDerWaalsContact O-OG 3.06Å

Retrieved 447 of 447 residues in 100.7 ms (Link to these results)

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