A0A096NSM6_PAPAN Loading...

Origin recognition complex subunit 4

Component of the origin recognition complex (ORC) that binds origins of replication. DNA-binding is ATP-dependent. The specific DNA sequences that define origins of replication have not been identified yet. ORC is required to assemble the pre-replication complex necessary to initiate DNA replication. Binds histone H3 and H4 trimethylation marks H3K9me3, H3K27me3 and H4K20me3.

AlphaFold DB , UniProt , Accession A0A096NSM6, Species PAPAN (Papio anubis, Olive baboon), Gene ORC4, Length 436 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
1M42.8Very low48.3Very low211 Ų211118.9 Ų118.9100%1.03962%0.624SS**  0-16.20-68.1-176.889.200114.4
2S48.1Very low49.5Very low104 Ų104115.9 Ų115.973%0.72761%0.607SS**Hα-helixtrans-69.3-39.8176.51780000114.1R4 K5 S6S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 3Å; S2-K5 PolarHBondContact O-N 3.04Å; S2-S6 PolarHBondContact O-N 3.37Å; S2-S6 VanDerWaalsContact O-N 3.16Å
3S40.1Very low51.1Low81 Ų81114.9 Ų114.957%0.56660%0.597SS**Hα-helixtrans-71.5-19.7-178.259.20000115.6S6 K7S3-S6 PolarHBondContact O-OG 3.27Å; S3-K7 WeakPolarHBondContact O-CG 3.5Å; S3-K7 PolarHBondContact O-N 3.43Å
4R38.8Very low52.8Low215 Ų215109.7 Ų109.781%0.81158%0.58SS**Hα-helixtrans-81.7-34173.9-83.4-175.3178.4173.6-0.9112S2 S8S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 3Å; R4-S8 PolarHBondContact O-N 3.28Å; R4-S8 PolarHBondContact O-OG 3.02Å
5K42.7Very low54.7Low154 Ų154111.3 Ų111.367%0.6758%0.583SS**Hα-helixtrans-71.5-35.7174.3-80-173.3173.6-175.20112.7S2 S8 N9S2-K5 PolarHBondContact O-N 3.04Å; K5-S8 WeakPolarHBondContact CA-OG 3.46Å; K5-S8 PolarHBondContact O-OG 3.41Å; K5-N9 WeakPolarHBondContact O-CB 3.2Å; K5-N9 PolarHBondContact O-N 3.07Å; K5-N9 PolarHBondContact O-OD1 3.48Å
6S48.1Very low56.6Low69 Ų69104.9 Ų104.948%0.48355%0.55SS.*Hα-helixtrans-68.3-39.3174.262.70000112.2S2 S3 N9 S10S2-S6 PolarHBondContact O-N 3.37Å; S2-S6 VanDerWaalsContact O-N 3.16Å; S3-S6 PolarHBondContact O-OG 3.27Å; S6-N9 PolarHBondContact O-N 3.23Å; S6-S10 WeakPolarHBondContact O-CB 3.27Å; S6-S10 PolarHBondContact O-N 3.48Å; S6-S10 PolarHBondContact O-OG 3.01Å
7K46.3Very low58.4Low148 Ų14899.6 Ų99.664%0.64352%0.522SS*.Hα-helixtrans-66.1-40174.7-76.5-173.8178.9-170.50113S3 S10 L11S3-K7 WeakPolarHBondContact O-CG 3.5Å; S3-K7 PolarHBondContact O-N 3.43Å; K7-S10 WeakPolarHBondContact CA-OG 3.5Å; K7-S10 PolarHBondContact O-N 2.97Å; K7-S10 PolarHBondContact O-OG 3.11Å; K7-L11 WeakPolarHBondContact O-CD1 3.24Å; K7-L11 WeakPolarHBondContact O-CG 3.41Å; K7-L11 PolarHBondContact O-N 3.28Å; K7-L11 VanDerWaalsContact O-N 3.16Å
8S48.9Very low60.1Low50 Ų5098.4 Ų98.435%0.3552%0.524SS..Hα-helixtrans-66.4-41.417560.80000111.9R4 K5 S10 L11 I12R4-S8 PolarHBondContact O-N 3.28Å; R4-S8 PolarHBondContact O-OG 3.02Å; K5-S8 WeakPolarHBondContact CA-OG 3.46Å; K5-S8 PolarHBondContact O-OG 3.41Å; S8-S10 PolarHBondContact O-N 2.97Å; S8-L11 PolarHBondContact O-N 3.13Å; S8-I12 WeakPolarHBondContact O-CD1 3.27Å; S8-I12 VanDerWaalsContact O-CG1 3.28Å; S8-I12 WeakPolarHBondContact O-CG1 3.37Å; S8-I12 PolarHBondContact O-N 3.43Å; S8-I12 VanDerWaalsContact O-N 3.07Å
9N55.6Low61.7Low90 Ų9096.9 Ų96.948%0.48151%0.513SS..Hα-helixtrans-67.9-35.2177-73.98.8000112.4K5 S6 L11 I12 H13K5-N9 WeakPolarHBondContact O-CB 3.2Å; K5-N9 PolarHBondContact O-N 3.07Å; K5-N9 PolarHBondContact O-OD1 3.48Å; S6-N9 PolarHBondContact O-N 3.23Å; N9-L11 VanDerWaalsContact C-N 3.32Å; N9-L11 PolarHBondContact O-N 3.17Å; N9-I12 PolarHBondContact O-N 3.1Å; N9-H13 WeakPolarHBondContact O-CB 3.24Å; N9-H13 PolarHBondContact O-CD2 2.81Å; N9-H13 PolarHBondContact O-N 2.71Å
10S58.9Low63.2Low68 Ų6892.1 Ų92.148%0.47649%0.487SS..Hα-helixtrans-66.9-32.5174.658.90000113.2S6 K7 S8 A14S6-S10 WeakPolarHBondContact O-CB 3.27Å; S6-S10 PolarHBondContact O-N 3.48Å; S6-S10 PolarHBondContact O-OG 3.01Å; K7-S10 WeakPolarHBondContact CA-OG 3.5Å; K7-S10 PolarHBondContact O-N 2.97Å; K7-S10 PolarHBondContact O-OG 3.11Å; S8-S10 PolarHBondContact O-N 2.97Å; S10-A14 WeakPolarHBondContact O-CB 3.49Å; S10-A14 PolarHBondContact O-N 3.39Å; S10-A14 VanDerWaalsContact O-N 3.11Å
11L61.3Low64.6Low118 Ų11888.8 Ų88.862%0.61847%0.47SS*.Hα-helixtrans-70.9-43.6175.6-75.4160.2000111.2K7 S8 N9 H13 A14 E15K7-L11 WeakPolarHBondContact O-CD1 3.24Å; K7-L11 WeakPolarHBondContact O-CG 3.41Å; K7-L11 PolarHBondContact O-N 3.28Å; K7-L11 VanDerWaalsContact O-N 3.16Å; S8-L11 PolarHBondContact O-N 3.13Å; N9-L11 VanDerWaalsContact C-N 3.32Å; N9-L11 PolarHBondContact O-N 3.17Å; L11-H13 PolarHBondContact O-N 2.99Å; L11-A14 PolarHBondContact O-N 3.25Å; L11-E15 PolarHBondContact O-N 2.83Å
12I62.8Low66.9Low83 Ų8385.3 Ų85.343%0.42645%0.445SS..Hα-helixtrans-62-44.1176.1-65163000110.6S8 N9 A14 E15 C16S8-I12 WeakPolarHBondContact O-CD1 3.27Å; S8-I12 VanDerWaalsContact O-CG1 3.28Å; S8-I12 WeakPolarHBondContact O-CG1 3.37Å; S8-I12 PolarHBondContact O-N 3.43Å; S8-I12 VanDerWaalsContact O-N 3.07Å; N9-I12 PolarHBondContact O-N 3.1Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 2.97Å; I12-E15 PolarHBondContact O-N 3.37Å; I12-C16 PolarHBondContact O-N 2.88Å; I12-C16 PolarHBondContact O-SG 3.47Å
13H69.4Low69Low103 Ų10381.9 Ų81.948%0.47742%0.418SS..Hα-helixtrans-63-36.4175.6-85.7-60.4000113.2N9 L11 L17 F245N9-H13 WeakPolarHBondContact O-CB 3.24Å; N9-H13 PolarHBondContact O-CD2 2.81Å; N9-H13 PolarHBondContact O-N 2.71Å; L11-H13 PolarHBondContact O-N 2.99Å; H13-L17 WeakPolarHBondContact O-CB 3.45Å; H13-L17 PolarHBondContact O-N 3.23Å; H13-F245 AromaticContact ND1-CD2 3.84Å; H13-F245 AromaticContact ND1-CE2 3.98Å
14A75.7Confident71.5Confident42 Ų4278 Ų7835%0.34739%0.391SS..Hα-helixtrans-67.9-39176.900000112.2S10 L11 I12 L17 S18S10-A14 WeakPolarHBondContact O-CB 3.49Å; S10-A14 PolarHBondContact O-N 3.39Å; S10-A14 VanDerWaalsContact O-N 3.11Å; L11-A14 PolarHBondContact O-N 3.25Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 2.97Å; A14-L17 PolarHBondContact O-N 3.37Å; A14-S18 PolarHBondContact O-N 3.46Å
15E81.6Confident74.1Confident134 Ų13472.4 Ų72.463%0.62637%0.37SS*.Hα-helixtrans-65.2-45.5173.8-79.6-178.4157.300111.9L11 I12 L17 S18 Q19L11-E15 PolarHBondContact O-N 2.83Å; I12-E15 PolarHBondContact O-N 3.37Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.26Å; E15-S18 WeakPolarHBondContact O-CB 3.21Å; E15-S18 PolarHBondContact O-N 3.39Å; E15-Q19 WeakPolarHBondContact O-CG 3.36Å; E15-Q19 PolarHBondContact O-N 3.49Å
16C83.8Confident76.4Confident9 Ų968.6 Ų68.66%0.06135%0.354CS..Hα-helixtrans-58.2-44.2174.8-66.90000111.4I12 S18 Q19 V20 F240 F245I12-C16 PolarHBondContact O-N 2.88Å; I12-C16 PolarHBondContact O-SG 3.47Å; C16-S18 VanDerWaalsContact C-N 3.35Å; C16-S18 PolarHBondContact O-N 3.21Å; C16-Q19 WeakPolarHBondContact O-CB 3.42Å; C16-Q19 PolarHBondContact O-N 3.44Å; C16-V20 WeakPolarHBondContact O-CG2 3.38Å; C16-V20 PolarHBondContact O-N 2.83Å; C16-F240 HydrophobicContact CB-CZ 4.37Å; C16-F245 HydrophobicContact CB-CD1 4.19Å; C16-F245 HydrophobicContact CB-CD2 4.47Å; C16-F245 HydrophobicContact CB-CE1 4.37Å; C16-F245 HydrophobicContact CB-CG 4.25Å
17L87.3Confident78.4Confident14 Ų1466 Ų667%0.07333%0.334CS..Hα-helixtrans-63.6-40.3178.1-157.796.7000112.2H13 A14 E15 Q19 V20 Q21 V290 P295H13-L17 WeakPolarHBondContact O-CB 3.45Å; H13-L17 PolarHBondContact O-N 3.23Å; A14-L17 PolarHBondContact O-N 3.37Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.26Å; L17-Q19 VanDerWaalsContact C-N 3.28Å; L17-Q19 PolarHBondContact O-N 3.09Å; L17-V20 WeakPolarHBondContact O-CB 3.42Å; L17-V20 PolarHBondContact O-N 3.31Å; L17-Q21 WeakPolarHBondContact O-CG 3.44Å; L17-Q21 PolarHBondContact O-N 2.8Å; L17-V290 HydrophobicContact CD1-CG1 3.76Å; L17-V290 HydrophobicContact CD2-CG1 4.35Å; L17-V290 HydrophobicContact CG-CG1 4.23Å; L17-P295 HydrophobicContact CD1-CB 3.97Å
18S89.7Confident80.6Confident79 Ų7959.6 Ų59.655%0.55231%0.306SS*.Hα-helixtrans-62-38175-172.30000111.5A14 E15 C16 Q21 R22A14-S18 PolarHBondContact O-N 3.46Å; E15-S18 WeakPolarHBondContact O-CB 3.21Å; E15-S18 PolarHBondContact O-N 3.39Å; C16-S18 VanDerWaalsContact C-N 3.35Å; C16-S18 PolarHBondContact O-N 3.21Å; S18-Q21 PolarHBondContact O-N 3.49Å; S18-R22 WeakPolarHBondContact O-CB 3.42Å; S18-R22 PolarHBondContact O-N 3.03Å
19Q90.8Very high82.5Confident69 Ų6960.6 Ų60.632%0.32231%0.312SS..Hα-helixtrans-68.2-40.6175.1-68.4177.8500112.1E15 C16 L17 R22 I23 F240E15-Q19 WeakPolarHBondContact O-CG 3.36Å; E15-Q19 PolarHBondContact O-N 3.49Å; C16-Q19 WeakPolarHBondContact O-CB 3.42Å; C16-Q19 PolarHBondContact O-N 3.44Å; L17-Q19 VanDerWaalsContact C-N 3.28Å; L17-Q19 PolarHBondContact O-N 3.09Å; Q19-R22 PolarHBondContact O-N 3.08Å; Q19-I23 WeakPolarHBondContact O-CG1 3.48Å; Q19-I23 PolarHBondContact O-N 3.4Å; Q19-F240 HydrophobicContact CB-CE2 3.81Å; Q19-F240 HydrophobicContact CB-CZ 4.14Å
20V91.6Very high83.8Confident0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-57.5-50.2172.6171.40000110.9C16 L17 R22 I23 L24 L236 F240 F245 W249C16-V20 WeakPolarHBondContact O-CG2 3.38Å; C16-V20 PolarHBondContact O-N 2.83Å; L17-V20 WeakPolarHBondContact O-CB 3.42Å; L17-V20 PolarHBondContact O-N 3.31Å; V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 PolarHBondContact O-N 3.5Å; V20-I23 PolarHBondContact O-N 3.02Å; V20-L24 HydrophobicContact CG1-CD1 3.66Å; V20-L24 HydrophobicContact CG1-CG 4.25Å; V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.12Å; V20-L236 HydrophobicContact CB-CD2 4.39Å; V20-L236 HydrophobicContact CG1-CD2 4.23Å; V20-L236 HydrophobicContact CG2-CD1 3.64Å; V20-L236 HydrophobicContact CG2-CD2 3.91Å; V20-L236 HydrophobicContact CG2-CG 4.39Å; V20-F240 HydrophobicContact CG2-CE2 4.17Å; V20-F240 HydrophobicContact CG2-CZ 4.1Å; V20-F245 HydrophobicContact CG2-CD1 4.5Å; V20-F245 HydrophobicContact CG2-CE1 3.66Å; V20-F245 HydrophobicContact CG2-CZ 4.5Å; V20-W249 HydrophobicContact CG1-CH2 3.73Å; V20-W249 HydrophobicContact CG1-CZ2 3.79Å; V20-W249 HydrophobicContact CG1-CZ3 4.13Å
21Q91.9Very high84.7Confident24 Ų2465.5 Ų65.511%0.11232%0.324CS..Hα-helixtrans-56.7-45.2177.6-74.2-75.5-18.700111L17 S18 R25 L287 V290L17-Q21 WeakPolarHBondContact O-CG 3.44Å; L17-Q21 PolarHBondContact O-N 2.8Å; S18-Q21 PolarHBondContact O-N 3.49Å; Q21-R25 WeakPolarHBondContact O-CB 3.37Å; Q21-R25 VanDerWaalsContact O-CD 3.3Å; Q21-R25 WeakPolarHBondContact O-CD 3.48Å; Q21-R25 WeakPolarHBondContact O-CG 3.26Å; Q21-R25 PolarHBondContact O-N 3.45Å; Q21-L287 PolarHBondContact NE2-O 3.15Å; Q21-V290 PolarHBondContact NE2-O 3.41Å; Q21-V290 VanDerWaalsContact NE2-O 3.11Å
22R92.6Very high84.9Confident138 Ų13861.7 Ų61.752%0.52131%0.308SS..Hα-helixtrans-59.9-54178-172.4-179.172.381.9-3.8112S18 Q19 V20 L24 R25 E26S18-R22 WeakPolarHBondContact O-CB 3.42Å; S18-R22 PolarHBondContact O-N 3.03Å; Q19-R22 PolarHBondContact O-N 3.08Å; V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 PolarHBondContact O-N 3.5Å; R22-L24 PolarHBondContact O-N 3.34Å; R22-R25 PolarHBondContact O-N 3.02Å; R22-E26 VanDerWaalsContact CG-OE1 3.29Å; R22-E26 WeakPolarHBondContact CG-OE1 3.43Å; R22-E26 IonicContact CZ-OE1 2.63Å; R22-E26 IonicContact NH1-OE1 2.99Å; R22-E26 PolarHBondContact NH1-OE1 2.92Å; R22-E26 IonicContact NH1-OE2 2.83Å; R22-E26 PolarHBondContact NH1-OE2 3.07Å; R22-E26 WeakPolarHBondContact O-CB 3.26Å; R22-E26 WeakPolarHBondContact O-CG 3.2Å; R22-E26 PolarHBondContact O-N 3.22Å
23I91.6Very high85Confident31 Ų3162.1 Ų62.116%0.15932%0.316CS..Hα-helixtrans-61.2-47.1-176.8-66.6167000110.9Q19 V20 E26 R27 F240Q19-I23 WeakPolarHBondContact O-CG1 3.48Å; Q19-I23 PolarHBondContact O-N 3.4Å; V20-I23 PolarHBondContact O-N 3.02Å; I23-E26 PolarHBondContact O-N 3.36Å; I23-R27 WeakPolarHBondContact O-CB 3.49Å; I23-R27 PolarHBondContact O-N 3.38Å; I23-F240 HydrophobicContact CD1-CD2 3.74Å; I23-F240 HydrophobicContact CD1-CE2 4Å
24L92Very high85Confident0 Ų058.8 Ų58.80%030%0.3CS..Hα-helixtrans-72.1-33.6-177.8-65.1-178.6000112.2V20 R22 R27 F28 W249 L287 M297V20-L24 HydrophobicContact CG1-CD1 3.66Å; V20-L24 HydrophobicContact CG1-CG 4.25Å; V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.12Å; R22-L24 PolarHBondContact O-N 3.34Å; L24-R27 PolarHBondContact O-N 3.43Å; L24-F28 HydrophobicContact CB-CD2 4.36Å; L24-F28 HydrophobicContact CB-CE2 3.86Å; L24-F28 HydrophobicContact CB-CZ 4.22Å; L24-F28 HydrophobicContact CD2-CZ 4.07Å; L24-F28 WeakPolarHBondContact O-CB 3.43Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 WeakPolarHBondContact O-CG 3.13Å; L24-F28 PolarHBondContact O-N 2.92Å; L24-W249 HydrophobicContact CD1-CH2 4.49Å; L24-W249 HydrophobicContact CD1-CZ2 3.76Å; L24-L287 HydrophobicContact CB-CD2 3.48Å; L24-L287 VanDerWaalsContact CB-CD2 3.48Å; L24-L287 HydrophobicContact CD1-CD1 3.86Å; L24-L287 HydrophobicContact CD1-CD2 4.11Å; L24-L287 HydrophobicContact CG-CD2 4.45Å; L24-M297 HydrophobicContact CD1-CE 4.38Å
25R93.5Very high84.5Confident97 Ų9760.6 Ų60.637%0.36631%0.311SS..Hα-helixtrans-66.1-42.9172.6-74.9169.2-174.8-81.7-7.2111.9Q21 R22 R27 F28 C29 M284 L287 N288Q21-R25 WeakPolarHBondContact O-CB 3.37Å; Q21-R25 VanDerWaalsContact O-CD 3.3Å; Q21-R25 WeakPolarHBondContact O-CD 3.48Å; Q21-R25 WeakPolarHBondContact O-CG 3.26Å; Q21-R25 PolarHBondContact O-N 3.45Å; R22-R25 PolarHBondContact O-N 3.02Å; R25-R27 VanDerWaalsContact C-N 3.28Å; R25-R27 PolarHBondContact O-N 2.84Å; R25-F28 PolarHBondContact O-N 3.17Å; R25-C29 VanDerWaalsContact O-CB 3.25Å; R25-C29 WeakPolarHBondContact O-CB 3.42Å; R25-C29 PolarHBondContact O-N 2.96Å; R25-M284 HydrophobicContact CG-CE 3.89Å; R25-M284 HydrophobicContact CG-SD 3.84Å; R25-M284 VanDerWaalsContact CZ-CE 3.48Å; R25-L287 HydrophobicContact CG-CD2 4.44Å; R25-N288 PolarHBondContact NH2-OD1 3.27Å
26E91.4Very high84.5Confident74 Ų7456.4 Ų56.435%0.34629%0.293SS..Hα-helixtrans-58.8-42.4173.5-74.9170.5-167.100110.9R22 I23 H30 Q31R22-E26 VanDerWaalsContact CG-OE1 3.29Å; R22-E26 WeakPolarHBondContact CG-OE1 3.43Å; R22-E26 IonicContact CZ-OE1 2.63Å; R22-E26 IonicContact NH1-OE1 2.99Å; R22-E26 PolarHBondContact NH1-OE1 2.92Å; R22-E26 IonicContact NH1-OE2 2.83Å; R22-E26 PolarHBondContact NH1-OE2 3.07Å; R22-E26 WeakPolarHBondContact O-CB 3.26Å; R22-E26 WeakPolarHBondContact O-CG 3.2Å; R22-E26 PolarHBondContact O-N 3.22Å; I23-E26 PolarHBondContact O-N 3.36Å; E26-H30 WeakPolarHBondContact O-CB 3.31Å; E26-H30 PolarHBondContact O-N 3.24Å; E26-Q31 PolarHBondContact O-N 3.12Å
27R90.6Very high84.5Confident16 Ų1656.9 Ų56.96%0.0629%0.294CS..Hα-helixtrans-65.1-48.2177.3-170.3179.6-67.4175.1-3.3113.1I23 L24 R25 Q233 S235I23-R27 WeakPolarHBondContact O-CB 3.49Å; I23-R27 PolarHBondContact O-N 3.38Å; L24-R27 PolarHBondContact O-N 3.43Å; R25-R27 VanDerWaalsContact C-N 3.28Å; R25-R27 PolarHBondContact O-N 2.84Å; R27-Q233 WeakPolarHBondContact CD-O 3.43Å; R27-Q233 VanDerWaalsContact CD-OE1 3.31Å; R27-Q233 PolarHBondContact NH1-O 3.43Å; R27-S235 PolarHBondContact NH1-O 2.85Å
28F90.9Very high84.5Confident12 Ų1257.8 Ų57.85%0.05330%0.298CS..Hα-helixtrans-81.5-40.1-173.2-57.4-26.7000113.2L24 R25 Q233 H280 L283 M284 L287L24-F28 HydrophobicContact CB-CD2 4.36Å; L24-F28 HydrophobicContact CB-CE2 3.86Å; L24-F28 HydrophobicContact CB-CZ 4.22Å; L24-F28 HydrophobicContact CD2-CZ 4.07Å; L24-F28 WeakPolarHBondContact O-CB 3.43Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 WeakPolarHBondContact O-CG 3.13Å; L24-F28 PolarHBondContact O-N 2.92Å; R25-F28 PolarHBondContact O-N 3.17Å; F28-Q233 HydrophobicContact CE1-CB 4.24Å; F28-Q233 WeakPolarHBondContact CE1-O 3.39Å; F28-H280 HydrophobicContact CB-CB 4.2Å; F28-H280 HydrophobicContact CD1-CB 4.38Å; F28-L283 HydrophobicContact CD2-CB 4.16Å; F28-L283 HydrophobicContact CE1-CB 4.31Å; F28-L283 HydrophobicContact CE1-CD1 3.83Å; F28-L283 HydrophobicContact CE2-CB 3.72Å; F28-L283 HydrophobicContact CZ-CB 3.82Å; F28-L283 HydrophobicContact CZ-CD1 3.82Å; F28-L283 HydrophobicContact CZ-CG 4.46Å; F28-M284 HydrophobicContact CB-CB 4.49Å; F28-M284 HydrophobicContact CD2-CB 4.31Å; F28-M284 HydrophobicContact CD2-SD 4.39Å; F28-L287 HydrophobicContact CD2-CD2 4.39Å; F28-L287 HydrophobicContact CE2-CD2 4.18Å
29C89.9Confident84.1Confident71 Ų7156.2 Ų56.248%0.4829%0.294SS..Hα-helixtrans-92.9-49.6-173-59.40000112.7R25 Q31R25-C29 VanDerWaalsContact O-CB 3.25Å; R25-C29 WeakPolarHBondContact O-CB 3.42Å; R25-C29 PolarHBondContact O-N 2.96Å; C29-Q31 VanDerWaalsContact C-N 3.33Å; C29-Q31 PolarHBondContact O-N 3.11Å
30H82.4Confident84Confident155 Ų15554 Ų5472%0.71829%0.285SS*.SBendtrans-86.2-3.9-174.2-69-69.1000113.7E26 S32E26-H30 WeakPolarHBondContact O-CB 3.31Å; E26-H30 PolarHBondContact O-N 3.24Å; H30-S32 PolarHBondContact O-N 2.98Å
31Q77.1Confident84Confident106 Ų10659.4 Ų59.450%0.49531%0.311SS..  trans52.346.3-178.5-61.8168.346.700110.7E26 C29 R277E26-Q31 PolarHBondContact O-N 3.12Å; C29-Q31 VanDerWaalsContact C-N 3.33Å; C29-Q31 PolarHBondContact O-N 3.11Å; Q31-R277 VanDerWaalsContact OE1-NH2 3.14Å
32S66.9Low84Confident39 Ų3963.7 Ų63.727%0.27334%0.338SS..  trans-53.2145.2-179.159.70000111.2H30 H34H30-S32 PolarHBondContact O-N 2.98Å; S32-H34 VanDerWaalsContact C-N 3.35Å; S32-H34 PolarHBondContact O-N 3.32Å
33P64.8Low84.1Confident91 Ų9159.1 Ų59.159%0.59132%0.323SS*.  trans-58.897.1174.1-18.430.1000109.9
34H68.3Low84.2Confident33 Ų3358.7 Ų58.715%0.15332%0.319CS..  trans-95.3144.4174.5-17161.1000108.7S32 N36 M75S32-H34 VanDerWaalsContact C-N 3.35Å; S32-H34 PolarHBondContact O-N 3.32Å; H34-N36 PolarHBondContact CD2-N 3.5Å; H34-N36 VanDerWaalsContact NE2-CG 3.28Å; H34-N36 PolarHBondContact NE2-ND2 3.3Å; H34-N36 VanDerWaalsContact NE2-ND2 3.14Å; H34-N36 PolarHBondContact O-N 2.94Å; H34-M75 HydrophobicContact CB-CE 4.21Å; H34-M75 WeakPolarHBondContact O-CE 3.19Å
35S66.1Low84.3Confident81 Ų8165.5 Ų65.557%0.56635%0.349SS*.SBendtrans-64.3-25.9-177.553.60000113.4L37S35-L37 PolarHBondContact O-N 3.46Å
36N81.6Confident84.4Confident46 Ų4664.7 Ų64.725%0.24635%0.349CS..  trans-88.5107.4-169-56.9-9.5000111.2H34 F38 E232H34-N36 PolarHBondContact CD2-N 3.5Å; H34-N36 VanDerWaalsContact NE2-CG 3.28Å; H34-N36 PolarHBondContact NE2-ND2 3.3Å; H34-N36 VanDerWaalsContact NE2-ND2 3.14Å; H34-N36 PolarHBondContact O-N 2.94Å; N36-F38 HydrophobicContact CB-CE1 4.2Å; N36-F38 HydrophobicContact CB-CE2 3.99Å; N36-F38 HydrophobicContact CB-CZ 3.68Å; N36-F38 WeakPolarHBondContact O-CE2 2.97Å; N36-E232 PolarHBondContact ND2-OE2 3.13Å
37L84.3Confident84.6Confident18 Ų1861.1 Ų61.19%0.09433%0.333CS..  trans-94.1110.1170.2-69.3179.3000110.5S35 V40 Q41 Y44 M75 L76 H79S35-L37 PolarHBondContact O-N 3.46Å; L37-V40 HydrophobicContact CB-CG2 3.66Å; L37-V40 HydrophobicContact CD1-CG2 4.43Å; L37-V40 HydrophobicContact CD2-CG2 4.16Å; L37-V40 HydrophobicContact CG-CG2 4.3Å; L37-Q41 PolarHBondContact O-NE2 3.25Å; L37-Y44 HydrophobicContact CD1-CD2 3.55Å; L37-Y44 HydrophobicContact CD1-CE2 3.89Å; L37-Y44 HydrophobicContact CD1-CG 3.88Å; L37-M75 HydrophobicContact CD2-CE 3.97Å; L37-M75 HydrophobicContact CD2-CG 4.34Å; L37-M75 HydrophobicContact CD2-SD 4.31Å; L37-L76 HydrophobicContact CD1-CD1 4.42Å; L37-H79 HydrophobicContact CD1-CB 4.39Å; L37-H79 HydrophobicContact CD2-CB 4.47Å
38F85.5Confident84.8Confident33 Ų3361 Ų6115%0.14533%0.334CS..  trans-88.4114.5-175.6-57.3-79.4000112N36 V40 I229 E232 Q233 L276N36-F38 HydrophobicContact CB-CE1 4.2Å; N36-F38 HydrophobicContact CB-CE2 3.99Å; N36-F38 HydrophobicContact CB-CZ 3.68Å; N36-F38 WeakPolarHBondContact O-CE2 2.97Å; F38-V40 PolarHBondContact O-N 3.4Å; F38-V40 VanDerWaalsContact O-N 3.15Å; F38-I229 HydrophobicContact CB-CD1 4.08Å; F38-I229 HydrophobicContact CB-CG1 4.17Å; F38-I229 HydrophobicContact CD1-CD1 4.4Å; F38-I229 HydrophobicContact CD1-CG1 3.57Å; F38-I229 HydrophobicContact CD2-CG1 4.27Å; F38-I229 HydrophobicContact CE1-CG1 3.96Å; F38-I229 HydrophobicContact CE2-CG2 4.47Å; F38-I229 HydrophobicContact CG-CD1 4.17Å; F38-I229 HydrophobicContact CG-CG1 3.73Å; F38-I229 HydrophobicContact CZ-CG1 4.47Å; F38-E232 HydrophobicContact CE1-CB 4.02Å; F38-E232 HydrophobicContact CE1-CG 4.16Å; F38-E232 HydrophobicContact CZ-CB 3.88Å; F38-Q233 VanDerWaalsContact CE2-NE2 3.27Å; F38-L276 HydrophobicContact CD2-CD2 4.1Å
39G82.2Confident85Confident47 Ų4764.4 Ų64.449%0.48535%0.35SS..SBendtrans69.310.4170.300000115.8
40V88.9Confident85.2Confident21 Ų2161.3 Ų61.313%0.12733%0.329CS..  trans-112.519.3-177.5-60.20000113.1L37 F38 V42 Q43 Y44 L76 L217L37-V40 HydrophobicContact CB-CG2 3.66Å; L37-V40 HydrophobicContact CD1-CG2 4.43Å; L37-V40 HydrophobicContact CD2-CG2 4.16Å; L37-V40 HydrophobicContact CG-CG2 4.3Å; F38-V40 PolarHBondContact O-N 3.4Å; F38-V40 VanDerWaalsContact O-N 3.15Å; V40-V42 PolarHBondContact O-N 2.9Å; V40-Q43 PolarHBondContact O-N 3.41Å; V40-Q43 PolarHBondContact O-OE1 3.04Å; V40-Y44 VanDerWaalsContact O-CB 3.23Å; V40-Y44 WeakPolarHBondContact O-CB 3.28Å; V40-Y44 PolarHBondContact O-N 3.32Å; V40-L76 HydrophobicContact CB-CD1 4.15Å; V40-L76 HydrophobicContact CG2-CD1 3.82Å; V40-L217 HydrophobicContact CB-CD2 3.94Å; V40-L217 HydrophobicContact CG1-CD2 3.37Å
41Q90.4Very high85.7Confident114 Ų11453.9 Ų53.953%0.53330%0.295SS..Hα-helixtrans-63.3-39.1-172.2-60.9-60.7-30.400112.7L37 K45L37-Q41 PolarHBondContact O-NE2 3.25Å; Q41-K45 WeakPolarHBondContact O-CB 3.34Å; Q41-K45 PolarHBondContact O-N 3.1Å
42V92.9Very high86.5Confident115 Ų11552.1 Ų52.170%0.69729%0.285SS*.Hα-helixtrans-68.6-45.6177.9179.80000110.7V40 Y44 K45 H46V40-V42 PolarHBondContact O-N 2.9Å; V42-Y44 VanDerWaalsContact C-N 3.34Å; V42-K45 PolarHBondContact O-N 3.3Å; V42-H46 PolarHBondContact O-N 2.86Å; V42-H46 VanDerWaalsContact O-N 3.08Å
43Q94.3Very high87.6Confident41 Ų4154.9 Ų54.919%0.19229%0.29CS..Hα-helixtrans-63.1-42.1177.8-65.784.8-12.300111.1V40 H46 L47 L76 I215 H216 L217V40-Q43 PolarHBondContact O-N 3.41Å; V40-Q43 PolarHBondContact O-OE1 3.04Å; Q43-H46 PolarHBondContact O-N 3.23Å; Q43-L47 WeakPolarHBondContact O-CB 3.43Å; Q43-L47 PolarHBondContact O-N 2.84Å; Q43-L76 HydrophobicContact CB-CD2 4.27Å; Q43-I215 HydrophobicContact CB-CG2 3.6Å; Q43-I215 HydrophobicContact CG-CG2 3.61Å; Q43-H216 PolarHBondContact NE2-O 3.45Å; Q43-L217 HydrophobicContact CB-CD2 4.15Å; Q43-L217 HydrophobicContact CG-CD2 4.06Å
44Y94.6Very high88.8Confident22 Ų2250.6 Ų50.69%0.08626%0.262CS..Hα-helixtrans-60.6-48.2175.9-176.7-104.4000111.7L37 V40 V42 H46 L47 S48 L76 H79 A80 E83L37-Y44 HydrophobicContact CD1-CD2 3.55Å; L37-Y44 HydrophobicContact CD1-CE2 3.89Å; L37-Y44 HydrophobicContact CD1-CG 3.88Å; V40-Y44 VanDerWaalsContact O-CB 3.23Å; V40-Y44 WeakPolarHBondContact O-CB 3.28Å; V40-Y44 PolarHBondContact O-N 3.32Å; V42-Y44 VanDerWaalsContact C-N 3.34Å; Y44-H46 VanDerWaalsContact C-N 3.33Å; Y44-H46 PolarHBondContact O-N 2.73Å; Y44-L47 PolarHBondContact O-N 2.76Å; Y44-S48 VanDerWaalsContact O-CB 3.31Å; Y44-S48 WeakPolarHBondContact O-CB 3.21Å; Y44-S48 PolarHBondContact O-N 2.83Å; Y44-S48 PolarHBondContact O-OG 2.82Å; Y44-L76 HydrophobicContact CD2-CD1 3.76Å; Y44-L76 HydrophobicContact CG-CD1 4.32Å; Y44-H79 HydrophobicContact CE2-CB 4.34Å; Y44-H79 AromaticContact CE2-ND1 3.31Å; Y44-H79 VanDerWaalsContact CE2-ND1 3.31Å; Y44-H79 WeakPolarHBondContact CE2-ND1 3.43Å; Y44-H79 AromaticContact CZ-CE1 3.89Å; Y44-H79 AromaticContact CZ-ND1 3.35Å; Y44-H79 VanDerWaalsContact CZ-ND1 3.35Å; Y44-H79 PolarHBondContact OH-CE1 3.16Å; Y44-H79 PolarHBondContact OH-ND1 2.71Å; Y44-A80 HydrophobicContact CD2-CB 4.36Å; Y44-A80 HydrophobicContact CE2-CB 3.75Å; Y44-E83 WeakPolarHBondContact CE1-OE2 3.24Å; Y44-E83 PolarHBondContact OH-OE2 2.95Å
45K94.5Very high89.8Confident144 Ų14449.9 Ų49.963%0.62626%0.262SS*.Hα-helixtrans-58.7-45.1177.9-173177.5177.7-179.70111.5Q41 V42 S48 E49Q41-K45 WeakPolarHBondContact O-CB 3.34Å; Q41-K45 PolarHBondContact O-N 3.1Å; V42-K45 PolarHBondContact O-N 3.3Å; K45-S48 WeakPolarHBondContact CA-OG 3.45Å; K45-S48 PolarHBondContact O-OG 2.86Å; K45-E49 VanDerWaalsContact O-CB 3.23Å; K45-E49 WeakPolarHBondContact O-CB 3.15Å; K45-E49 PolarHBondContact O-N 2.98Å
46H94.9Very high90.9Very high79 Ų7949.8 Ų49.837%0.36626%0.255SS..Hα-helixtrans-64.4-44.3178-173.7-170.5000112.3V42 Q43 Y44 L50 I215V42-H46 PolarHBondContact O-N 2.86Å; V42-H46 VanDerWaalsContact O-N 3.08Å; Q43-H46 PolarHBondContact O-N 3.23Å; Y44-H46 VanDerWaalsContact C-N 3.33Å; Y44-H46 PolarHBondContact O-N 2.73Å; H46-L50 WeakPolarHBondContact O-CB 3.4Å; H46-L50 PolarHBondContact O-N 3.17Å; H46-L50 VanDerWaalsContact O-N 3.1Å; H46-I215 HydrophobicContact CB-CD1 4.46Å
47L95.6Very high91.1Very high0 Ų053.9 Ų53.90%027%0.272CS..Hα-helixtrans-66.2-46.8179.2-178.964.2000112.1Q43 Y44 L50 L51 V63 I65 L76 I77 A80 I190 I215Q43-L47 WeakPolarHBondContact O-CB 3.43Å; Q43-L47 PolarHBondContact O-N 2.84Å; Y44-L47 PolarHBondContact O-N 2.76Å; L47-L50 PolarHBondContact O-N 2.84Å; L47-L51 HydrophobicContact CD1-CD1 4.48Å; L47-L51 HydrophobicContact CG-CD1 4.21Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.33Å; L47-V63 HydrophobicContact CD1-CG1 4.37Å; L47-I65 HydrophobicContact CD1-CD1 4.17Å; L47-I65 HydrophobicContact CD2-CD1 3.88Å; L47-L76 HydrophobicContact CD2-CD2 3.94Å; L47-L76 HydrophobicContact CD2-CG 3.98Å; L47-I77 HydrophobicContact CD2-CG1 3.99Å; L47-A80 HydrophobicContact CD2-CB 4Å; L47-A80 HydrophobicContact CG-CB 4.31Å; L47-I190 HydrophobicContact CD1-CD1 4.46Å; L47-I215 HydrophobicContact CB-CD1 4.03Å; L47-I215 HydrophobicContact CD1-CD1 4.41Å
48S95.1Very high91.1Very high14 Ų1454 Ų5410%0.09828%0.278CS..Hα-helixtrans-63.8-39.9179.5560000112Y44 K45 L51 K52Y44-S48 VanDerWaalsContact O-CB 3.31Å; Y44-S48 WeakPolarHBondContact O-CB 3.21Å; Y44-S48 PolarHBondContact O-N 2.83Å; Y44-S48 PolarHBondContact O-OG 2.82Å; K45-S48 WeakPolarHBondContact CA-OG 3.45Å; K45-S48 PolarHBondContact O-OG 2.86Å; S48-L51 PolarHBondContact O-N 2.69Å; S48-K52 WeakPolarHBondContact O-CB 3.42Å; S48-K52 VanDerWaalsContact O-CG 3.32Å; S48-K52 WeakPolarHBondContact O-CG 3.27Å; S48-K52 PolarHBondContact O-N 3.14Å
49E94.5Very high91.2Very high83 Ų8356.2 Ų56.239%0.38829%0.289SS..Hα-helixtrans-64.3-43.9175.3-174.7172.5-17600111.8K45 L51 K52 R53K45-E49 VanDerWaalsContact O-CB 3.23Å; K45-E49 WeakPolarHBondContact O-CB 3.15Å; K45-E49 PolarHBondContact O-N 2.98Å; E49-L51 PolarHBondContact O-N 2.9Å; E49-K52 PolarHBondContact O-N 3.43Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.23Å; E49-R53 IonicContact OE1-CZ 3.72Å; E49-R53 IonicContact OE1-NE 3.82Å; E49-R53 IonicContact OE1-NH2 2.75Å; E49-R53 PolarHBondContact OE1-NH2 3.16Å
50L93.6Very high91.6Very high5 Ų555.1 Ų55.13%0.02627%0.274CS..Hα-helixtrans-60.5-45.9176-175.9158.6000111.5H46 L47 R53 T54 N61 V63H46-L50 WeakPolarHBondContact O-CB 3.4Å; H46-L50 PolarHBondContact O-N 3.17Å; H46-L50 VanDerWaalsContact O-N 3.1Å; L47-L50 PolarHBondContact O-N 2.84Å; L50-R53 PolarHBondContact O-N 3.12Å; L50-T54 PolarHBondContact O-N 3.04Å; L50-T54 PolarHBondContact O-OG1 2.76Å; L50-N61 HydrophobicContact CD1-CB 4.14Å; L50-N61 HydrophobicContact CD2-CB 3.64Å; L50-N61 HydrophobicContact CG-CB 3.84Å; L50-V63 HydrophobicContact CD1-CB 3.97Å; L50-V63 HydrophobicContact CD1-CG1 4.21Å; L50-V63 HydrophobicContact CD1-CG2 4.47Å
51L94Very high91.7Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-61.7-45.2177.6-79.1177.7000112.3L47 S48 E49 R53 T54 A55 A80 L81 L84 I155 I190L47-L51 HydrophobicContact CD1-CD1 4.48Å; L47-L51 HydrophobicContact CG-CD1 4.21Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.33Å; S48-L51 PolarHBondContact O-N 2.69Å; E49-L51 PolarHBondContact O-N 2.9Å; L51-R53 VanDerWaalsContact C-N 3.35Å; L51-R53 PolarHBondContact O-N 3.04Å; L51-T54 PolarHBondContact O-N 2.99Å; L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 3.26Å; L51-A80 HydrophobicContact CD1-CB 3.87Å; L51-L81 HydrophobicContact CD1-CD2 4.16Å; L51-L81 HydrophobicContact CD2-CD2 4.43Å; L51-L84 HydrophobicContact CB-CD1 4.49Å; L51-L84 HydrophobicContact CB-CD2 4.02Å; L51-I155 HydrophobicContact CD2-CD1 3.93Å; L51-I155 HydrophobicContact CD2-CG2 4.21Å; L51-I190 HydrophobicContact CD2-CD1 3.71Å; L51-I190 HydrophobicContact CG-CD1 4.48Å
52K92.6Very high91.9Very high69 Ų6949.2 Ų49.230%0.325%0.245SC..Hα-helixtrans-61.5-41.6176.5-75.2175.6-176.5175.60111.5S48 E49 A55 L56 E83 L84S48-K52 WeakPolarHBondContact O-CB 3.42Å; S48-K52 VanDerWaalsContact O-CG 3.32Å; S48-K52 WeakPolarHBondContact O-CG 3.27Å; S48-K52 PolarHBondContact O-N 3.14Å; E49-K52 PolarHBondContact O-N 3.43Å; K52-A55 PolarHBondContact O-N 3.49Å; K52-L56 WeakPolarHBondContact O-CB 3.28Å; K52-L56 WeakPolarHBondContact O-CG 3.3Å; K52-L56 PolarHBondContact O-N 3.35Å; K52-E83 IonicContact NZ-OE1 2.63Å; K52-E83 PolarHBondContact NZ-OE1 3.41Å; K52-L84 HydrophobicContact CB-CD1 4.46Å; K52-L84 HydrophobicContact CG-CD1 3.71Å
53R91.3Very high92.1Very high96 Ų9643.8 Ų43.836%0.36221%0.212SC..Hα-helixtrans-63.8-40.6176.3-70179.3-169.5-170.13.4112.6E49 L50 L51 H57 G58E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.23Å; E49-R53 IonicContact OE1-CZ 3.72Å; E49-R53 IonicContact OE1-NE 3.82Å; E49-R53 IonicContact OE1-NH2 2.75Å; E49-R53 PolarHBondContact OE1-NH2 3.16Å; L50-R53 PolarHBondContact O-N 3.12Å; L51-R53 VanDerWaalsContact C-N 3.35Å; L51-R53 PolarHBondContact O-N 3.04Å; R53-H57 WeakPolarHBondContact O-CA 3.2Å; R53-H57 VanDerWaalsContact O-CB 3.31Å; R53-H57 WeakPolarHBondContact O-CB 3.37Å; R53-H57 PolarHBondContact O-N 2.96Å; R53-G58 PolarHBondContact O-N 3.09Å
54T90.1Very high92.2Very high1 Ų141.9 Ų41.91%0.00620%0.204CC..Hα-helixtrans-68.2-42.6176.6-66.60000112.2L50 L51 G58 E59 N61 A188L50-T54 PolarHBondContact O-N 3.04Å; L50-T54 PolarHBondContact O-OG1 2.76Å; L51-T54 PolarHBondContact O-N 2.99Å; T54-G58 PolarHBondContact O-N 3.49Å; T54-E59 VanDerWaalsContact CA-O 3.25Å; T54-E59 WeakPolarHBondContact CA-O 3.5Å; T54-E59 WeakPolarHBondContact CB-O 3.34Å; T54-E59 WeakPolarHBondContact CG2-O 3.32Å; T54-E59 PolarHBondContact OG1-O 3.38Å; T54-N61 PolarHBondContact OG1-ND2 3.39Å; T54-A188 HydrophobicContact CG2-CB 3.82Å
55A89.7Confident92.3Very high19 Ų1940.9 Ų40.916%0.15720%0.199CC..Hα-helixtrans-70-43.2-178.900000113.2L51 K52 L84 V90 V94L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 3.26Å; K52-A55 PolarHBondContact O-N 3.49Å; A55-L84 HydrophobicContact CB-CD1 4.19Å; A55-L84 HydrophobicContact CB-CD2 4.41Å; A55-V90 HydrophobicContact CB-CG1 4.19Å; A55-V90 HydrophobicContact CB-CG2 4.05Å; A55-V94 HydrophobicContact CB-CG2 3.76Å
56L88.1Confident92.4Very high79 Ų7934 Ų3441%0.41417%0.17SC..Hα-helixtrans-95.5-36.7-171.9-59.9174.5000113.8K52 V90K52-L56 WeakPolarHBondContact O-CB 3.28Å; K52-L56 WeakPolarHBondContact O-CG 3.3Å; K52-L56 PolarHBondContact O-N 3.35Å; L56-V90 HydrophobicContact CD2-CG2 3.83Å
57H85.9Confident92.4Very high131 Ų13130.3 Ų30.361%0.60615%0.152SC*.Hα-helixtrans-102.2-3.5-175.3-54.9-47.3000113.3R53 E59R53-H57 WeakPolarHBondContact O-CA 3.2Å; R53-H57 VanDerWaalsContact O-CB 3.31Å; R53-H57 WeakPolarHBondContact O-CB 3.37Å; R53-H57 PolarHBondContact O-N 2.96Å; H57-E59 HydrophobicContact CB-CG 4.26Å; H57-E59 PolarHBondContact O-N 3.4Å
58G84.4Confident92.3Very high22 Ų2232.9 Ų32.923%0.22717%0.169CC..  trans68.421-17900000113.7R53 T54R53-G58 PolarHBondContact O-N 3.09Å; T54-G58 PolarHBondContact O-N 3.49Å
59E87.6Confident92.1Very high79 Ų7939.9 Ų39.937%0.36919%0.194SC..  trans-73.5134177.4-69.8-174.5179.800111.2T54 H57T54-E59 VanDerWaalsContact CA-O 3.25Å; T54-E59 WeakPolarHBondContact CA-O 3.5Å; T54-E59 WeakPolarHBondContact CB-O 3.34Å; T54-E59 WeakPolarHBondContact CG2-O 3.32Å; T54-E59 PolarHBondContact OG1-O 3.38Å; H57-E59 HydrophobicContact CB-CG 4.26Å; H57-E59 PolarHBondContact O-N 3.4Å
60S90.3Very high91.8Very high24 Ų2436.6 Ų36.617%0.16818%0.182CC..  trans-89.9129.4173.2-63.80000110.9S180 T185 I187S60-S180 WeakPolarHBondContact CB-O 3.43Å; S60-T185 PolarHBondContact OG-O 3.3Å; S60-I187 CarbonylContact C-O 3.49Å; S60-I187 WeakPolarHBondContact CA-O 3.5Å; S60-I187 PolarHBondContact OG-N 3Å; S60-I187 VanDerWaalsContact OG-N 3.16Å
61N92.1Very high91.6Very high8 Ų836.9 Ų36.94%0.04318%0.184CC..EExtended strand (participates in β ladder)trans-137.4144.3-173.6-72.2-68.1000111.1L50 T54 I187 A188 V189 R213L50-N61 HydrophobicContact CD1-CB 4.14Å; L50-N61 HydrophobicContact CD2-CB 3.64Å; L50-N61 HydrophobicContact CG-CB 3.84Å; T54-N61 PolarHBondContact OG1-ND2 3.39Å; N61-I187 PolarHBondContact N-O 3.41Å; N61-A188 CarbonylContact O-C 3.54Å; N61-A188 VanDerWaalsContact O-CA 3.24Å; N61-A188 WeakPolarHBondContact O-CA 3.44Å; N61-V189 PolarHBondContact O-N 2.8Å; N61-R213 PolarHBondContact OD1-NH1 3.03Å
62S94.1Very high91.3Very high3 Ų338.2 Ų38.22%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-119143.116647.30000110V189 S211S62-V189 CarbonylContact C-O 3.5Å; S62-V189 VanDerWaalsContact CA-O 3.28Å; S62-V189 WeakPolarHBondContact CA-O 3.48Å; S62-S211 PolarHBondContact O-OG 2.87Å; S62-S211 VanDerWaalsContact OG-CB 3.3Å; S62-S211 WeakPolarHBondContact OG-CB 3.47Å; S62-S211 PolarHBondContact OG-N 3.41Å; S62-S211 VanDerWaalsContact OG-N 3.12Å; S62-S211 PolarHBondContact OG-OG 3.23Å
63V96.3Very high91.3Very high1 Ų136 Ų361%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-148.6141.2177.963.10000110.3L47 L50 V189 I190 G191 R213 I215L47-V63 HydrophobicContact CD1-CG1 4.37Å; L50-V63 HydrophobicContact CD1-CB 3.97Å; L50-V63 HydrophobicContact CD1-CG1 4.21Å; L50-V63 HydrophobicContact CD1-CG2 4.47Å; V63-V189 PolarHBondContact N-O 3.37Å; V63-I190 HydrophobicContact CG1-CB 4.21Å; V63-I190 HydrophobicContact CG1-CG1 3.79Å; V63-I190 HydrophobicContact CG1-CG2 4.06Å; V63-I190 WeakPolarHBondContact O-CA 3.4Å; V63-G191 PolarHBondContact O-N 3.01Å; V63-R213 HydrophobicContact CG2-CB 4.37Å; V63-I215 HydrophobicContact CG2-CD1 3.74Å; V63-I215 HydrophobicContact CG2-CG1 3.8Å
64L97.1Very high91.4Very high1 Ų134 Ų341%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-111.3123.8171.9-68.8177.9000110.1I66 F161 G191 I198 L199 F210 R213 Q214 I215L64-I66 HydrophobicContact CB-CD1 4.35Å; L64-I66 HydrophobicContact CB-CG1 4.23Å; L64-F161 HydrophobicContact CD1-CE1 4.41Å; L64-F161 HydrophobicContact CD2-CD1 3.9Å; L64-F161 HydrophobicContact CD2-CD2 4.15Å; L64-F161 HydrophobicContact CD2-CE1 3.86Å; L64-F161 HydrophobicContact CD2-CE2 4.09Å; L64-F161 HydrophobicContact CD2-CG 4.05Å; L64-F161 HydrophobicContact CD2-CZ 3.96Å; L64-G191 WeakPolarHBondContact CA-O 3.49Å; L64-I198 HydrophobicContact CD1-CG2 4.15Å; L64-L199 HydrophobicContact CD1-CD2 4.15Å; L64-F210 HydrophobicContact CB-CZ 4.03Å; L64-F210 HydrophobicContact CD1-CE1 3.84Å; L64-F210 HydrophobicContact CD1-CE2 4.18Å; L64-F210 HydrophobicContact CD1-CZ 3.64Å; L64-F210 HydrophobicContact CG-CE1 4.22Å; L64-F210 HydrophobicContact CG-CE2 3.79Å; L64-F210 HydrophobicContact CG-CZ 3.49Å; L64-F210 VanDerWaalsContact CG-CZ 3.49Å; L64-R213 PolarHBondContact N-O 3Å; L64-Q214 WeakPolarHBondContact O-CA 3.45Å; L64-I215 PolarHBondContact O-N 3.44Å
65I97.1Very high91.4Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-97.1113.7172.7-53.3-172000108.3L47 K73 L76 I77 I190 G191 L192 T193 I215 L217L47-I65 HydrophobicContact CD1-CD1 4.17Å; L47-I65 HydrophobicContact CD2-CD1 3.88Å; I65-K73 HydrophobicContact CG2-CB 4.35Å; I65-K73 HydrophobicContact CG2-CD 4.37Å; I65-K73 HydrophobicContact CG2-CG 4.18Å; I65-L76 HydrophobicContact CD1-CD2 4.4Å; I65-I77 HydrophobicContact CD1-CD1 3.77Å; I65-I77 HydrophobicContact CD1-CG1 3.63Å; I65-I190 HydrophobicContact CD1-CG2 4.17Å; I65-I190 HydrophobicContact CG1-CG2 4.35Å; I65-G191 PolarHBondContact N-O 2.76Å; I65-L192 HydrophobicContact CB-CD2 3.69Å; I65-L192 HydrophobicContact CD1-CD2 4.02Å; I65-L192 HydrophobicContact CG1-CD2 4.21Å; I65-L192 HydrophobicContact CG2-CD2 4.14Å; I65-T193 PolarHBondContact O-N 3.28Å; I65-T193 VanDerWaalsContact O-N 3.11Å; I65-I215 WeakPolarHBondContact CA-O 3.22Å; I65-I215 HydrophobicContact CG1-CB 4.37Å; I65-L217 HydrophobicContact CG2-CD1 3.34Å; I65-L217 HydrophobicContact CG2-CG 4.09Å
66I96.6Very high91.6Very high1 Ų136.1 Ų36.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-117.9125.8-170.9-56.1171.9000108.8L64 T193 L196 I198 Q214 I215 H216 L217L64-I66 HydrophobicContact CB-CD1 4.35Å; L64-I66 HydrophobicContact CB-CG1 4.23Å; I66-T193 HydrophobicContact CG1-CG2 3.95Å; I66-L196 HydrophobicContact CG2-CD2 3.69Å; I66-I198 HydrophobicContact CD1-CG2 3.82Å; I66-I198 HydrophobicContact CG1-CG2 4.4Å; I66-Q214 HydrophobicContact CD1-CB 4.37Å; I66-Q214 HydrophobicContact CD1-CG 4.09Å; I66-I215 PolarHBondContact N-O 2.95Å; I66-H216 CarbonylContact O-C 3.54Å; I66-H216 WeakPolarHBondContact O-CA 3.43Å; I66-L217 PolarHBondContact O-N 3.49Å
67G94.7Very high91.9Very high0 Ų032.4 Ų32.40%018%0.175CC..  trans-176.2162.2175.600000112.3K73 T193 C194 L217G67-K73 PolarHBondContact O-NZ 3.16Å; G67-T193 PolarHBondContact N-O 3.4Å; G67-C194 VanDerWaalsContact O-CA 3.23Å; G67-C194 WeakPolarHBondContact O-CA 3.43Å; G67-C194 WeakPolarHBondContact O-CB 3.47Å; G67-L217 WeakPolarHBondContact CA-O 3.35Å
68P93.7Very high92.2Very high55 Ų5529.6 Ų29.636%0.35717%0.165SC..  trans-59.4164-17824.3-31.7000112.4G70 S71 K73 L217P68-G70 PolarHBondContact O-N 3.41Å; P68-S71 WeakPolarHBondContact O-CB 3.43Å; P68-S71 PolarHBondContact O-N 3.22Å; P68-S71 PolarHBondContact O-OG 3.39Å; P68-K73 PolarHBondContact O-NZ 2.94Å; P68-L217 WeakPolarHBondContact CD-O 3.37Å
69R91Very high92.6Very high160 Ų16030.7 Ų30.760%0.60416%0.164SC*.THydrogen-bonded Turntrans-63131.8175.5-69.1-172.8169.8-175.2-6.1109.7E160 C194 N275R69-E160 IonicContact NH2-OE2 2.78Å; R69-C194 HydrophobicContact CG-CB 3.95Å; R69-N275 PolarHBondContact O-ND2 2.63Å
70G87.7Confident92.8Very high14 Ų1427 Ų2714%0.14415%0.147CC..THydrogen-bonded Turntrans83.55.9-177.700000116.2P68 G72 N275P68-G70 PolarHBondContact O-N 3.41Å; G70-G72 PolarHBondContact O-N 2.85Å; G70-N275 WeakPolarHBondContact CA-OD1 3.49Å; G70-N275 PolarHBondContact O-OD1 3.08Å; G70-N275 VanDerWaalsContact O-OD1 3.06Å
71S88.8Confident93Very high11 Ų1126.3 Ų26.38%0.07714%0.141CC..SBendtrans-75.64.2176.266.60000115.6P68P68-S71 WeakPolarHBondContact O-CB 3.43Å; P68-S71 PolarHBondContact O-N 3.22Å; P68-S71 PolarHBondContact O-OG 3.39Å
72G88.9Confident93Very high29 Ų2931.6 Ų31.630%0.29916%0.164SC..SBendtrans85.520.2178.200000115.7G70 T74 M75 L76G70-G72 PolarHBondContact O-N 2.85Å; G72-T74 PolarHBondContact O-N 3.02Å; G72-M75 PolarHBondContact O-N 3.43Å; G72-L76 PolarHBondContact O-N 3.08Å
73K92.7Very high92.9Very high22 Ų2234.3 Ų34.310%0.09618%0.176CC..Hα-helixtrans-50.5-54.4176.8-60.2-167.9-72.8-760113.3I65 G67 P68 L76 I77 L192 T193 L217I65-K73 HydrophobicContact CG2-CB 4.35Å; I65-K73 HydrophobicContact CG2-CD 4.37Å; I65-K73 HydrophobicContact CG2-CG 4.18Å; G67-K73 PolarHBondContact O-NZ 3.16Å; P68-K73 PolarHBondContact O-NZ 2.94Å; K73-L76 WeakPolarHBondContact O-CB 3.45Å; K73-L76 PolarHBondContact O-N 2.64Å; K73-I77 PolarHBondContact O-N 3.2Å; K73-L192 HydrophobicContact CB-CD2 3.88Å; K73-T193 WeakPolarHBondContact CD-O 3.29Å; K73-T193 WeakPolarHBondContact CE-O 3.38Å; K73-L217 HydrophobicContact CB-CD1 4.22Å; K73-L217 HydrophobicContact CG-CD1 3.86Å
74T92.4Very high92.7Very high54 Ų5434.4 Ų34.433%0.33118%0.177SC..Hα-helixtrans-66.1-37.8179.6-40.80000111.7G72 L76 I77 N78G72-T74 PolarHBondContact O-N 3.02Å; T74-L76 PolarHBondContact O-N 3.47Å; T74-I77 PolarHBondContact O-N 3.16Å; T74-N78 WeakPolarHBondContact O-CB 3.42Å; T74-N78 PolarHBondContact O-N 2.91Å
75M91Very high92.4Very high63 Ų6336.5 Ų36.531%0.3119%0.187SC..Hα-helixtrans-62.4-42.2176-175.1-171.7178.100111.5H34 L37 G72 N78 H79H34-M75 HydrophobicContact CB-CE 4.21Å; H34-M75 WeakPolarHBondContact O-CE 3.19Å; L37-M75 HydrophobicContact CD2-CE 3.97Å; L37-M75 HydrophobicContact CD2-CG 4.34Å; L37-M75 HydrophobicContact CD2-SD 4.31Å; G72-M75 PolarHBondContact O-N 3.43Å; M75-N78 PolarHBondContact O-N 2.98Å; M75-H79 VanDerWaalsContact O-CB 3.32Å; M75-H79 WeakPolarHBondContact O-CB 3.22Å; M75-H79 PolarHBondContact O-N 3.05Å
76L92.9Very high92.2Very high1 Ų142.8 Ų42.81%0.00522%0.216CC..Hα-helixtrans-60.1-47.4178.1-173.476.6000111.4L37 V40 Q43 Y44 L47 I65 G72 K73 T74 A80 L217L37-L76 HydrophobicContact CD1-CD1 4.42Å; V40-L76 HydrophobicContact CB-CD1 4.15Å; V40-L76 HydrophobicContact CG2-CD1 3.82Å; Q43-L76 HydrophobicContact CB-CD2 4.27Å; Y44-L76 HydrophobicContact CD2-CD1 3.76Å; Y44-L76 HydrophobicContact CG-CD1 4.32Å; L47-L76 HydrophobicContact CD2-CD2 3.94Å; L47-L76 HydrophobicContact CD2-CG 3.98Å; I65-L76 HydrophobicContact CD1-CD2 4.4Å; G72-L76 PolarHBondContact O-N 3.08Å; K73-L76 WeakPolarHBondContact O-CB 3.45Å; K73-L76 PolarHBondContact O-N 2.64Å; T74-L76 PolarHBondContact O-N 3.47Å; L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 3.22Å; L76-L217 HydrophobicContact CB-CD1 4.47Å; L76-L217 HydrophobicContact CD2-CD1 3.9Å; L76-L217 HydrophobicContact CD2-CD2 4.16Å; L76-L217 HydrophobicContact CD2-CG 4.4Å
77I93.8Very high92Very high1 Ų145.5 Ų45.51%0.00523%0.23CC..Hα-helixtrans-64.8-49.7178-71.1-179.3000110.7L47 I65 K73 T74 H79 A80 L81 I157 I190 L192L47-I77 HydrophobicContact CD2-CG1 3.99Å; I65-I77 HydrophobicContact CD1-CD1 3.77Å; I65-I77 HydrophobicContact CD1-CG1 3.63Å; K73-I77 PolarHBondContact O-N 3.2Å; T74-I77 PolarHBondContact O-N 3.16Å; I77-H79 VanDerWaalsContact C-N 3.26Å; I77-H79 PolarHBondContact O-N 3.1Å; I77-A80 PolarHBondContact O-N 2.83Å; I77-A80 VanDerWaalsContact O-N 3.1Å; I77-L81 HydrophobicContact CG2-CD1 3.49Å; I77-L81 VanDerWaalsContact CG2-CD1 3.49Å; I77-L81 HydrophobicContact CG2-CG 4Å; I77-L81 WeakPolarHBondContact O-CB 3.47Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 2.75Å; I77-I157 HydrophobicContact CD1-CG2 4.32Å; I77-I157 HydrophobicContact CG2-CD1 4.42Å; I77-I157 HydrophobicContact CG2-CG1 4.46Å; I77-I190 HydrophobicContact CD1-CG2 3.49Å; I77-I190 VanDerWaalsContact CD1-CG2 3.49Å; I77-I190 HydrophobicContact CG1-CG2 4.35Å; I77-L192 HydrophobicContact CD1-CD1 3.87Å; I77-L192 HydrophobicContact CD1-CD2 3.25Å; I77-L192 HydrophobicContact CD1-CG 3.68Å; I77-L192 HydrophobicContact CG1-CD2 4.23Å
78N92.4Very high91.7Very high72 Ų7253.1 Ų53.139%0.38527%0.266SS..Hα-helixtrans-60.4-39.1-177.7-71.5-7.6000111.6T74 M75 K82T74-N78 WeakPolarHBondContact O-CB 3.42Å; T74-N78 PolarHBondContact O-N 2.91Å; M75-N78 PolarHBondContact O-N 2.98Å; N78-K82 VanDerWaalsContact O-CB 3.28Å; N78-K82 WeakPolarHBondContact O-CB 3.4Å; N78-K82 PolarHBondContact O-N 3.04Å
79H92.7Very high91.3Very high46 Ų4657 Ų5721%0.21328%0.279CS..Hα-helixtrans-65.6-45.9174.3-169.7-71.6000111.7L37 Y44 M75 I77 L81 K82 E83L37-H79 HydrophobicContact CD1-CB 4.39Å; L37-H79 HydrophobicContact CD2-CB 4.47Å; Y44-H79 HydrophobicContact CE2-CB 4.34Å; Y44-H79 AromaticContact CE2-ND1 3.31Å; Y44-H79 VanDerWaalsContact CE2-ND1 3.31Å; Y44-H79 WeakPolarHBondContact CE2-ND1 3.43Å; Y44-H79 AromaticContact CZ-CE1 3.89Å; Y44-H79 AromaticContact CZ-ND1 3.35Å; Y44-H79 VanDerWaalsContact CZ-ND1 3.35Å; Y44-H79 PolarHBondContact OH-CE1 3.16Å; Y44-H79 PolarHBondContact OH-ND1 2.71Å; M75-H79 VanDerWaalsContact O-CB 3.32Å; M75-H79 WeakPolarHBondContact O-CB 3.22Å; M75-H79 PolarHBondContact O-N 3.05Å; I77-H79 VanDerWaalsContact C-N 3.26Å; I77-H79 PolarHBondContact O-N 3.1Å; H79-L81 PolarHBondContact O-N 3.14Å; H79-K82 PolarHBondContact O-N 3Å; H79-E83 PolarHBondContact O-N 2.9Å
80A93.6Very high91.1Very high2 Ų249.4 Ų49.42%0.01725%0.251CS..Hα-helixtrans-65-38.4-18000000112.4Y44 L47 L51 L76 I77 L84Y44-A80 HydrophobicContact CD2-CB 4.36Å; Y44-A80 HydrophobicContact CE2-CB 3.75Å; L47-A80 HydrophobicContact CD2-CB 4Å; L47-A80 HydrophobicContact CG-CB 4.31Å; L51-A80 HydrophobicContact CD1-CB 3.87Å; L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 3.22Å; I77-A80 PolarHBondContact O-N 2.83Å; I77-A80 VanDerWaalsContact O-N 3.1Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.22Å; A80-L84 PolarHBondContact O-N 2.97Å
81L93.1Very high91.1Very high8 Ų851.7 Ų51.74%0.04227%0.265CS..Hα-helixtrans-69.8-38.3175.3-70.3172.8000112L51 I77 H79 L84 M85 I155 I157L51-L81 HydrophobicContact CD1-CD2 4.16Å; L51-L81 HydrophobicContact CD2-CD2 4.43Å; I77-L81 HydrophobicContact CG2-CD1 3.49Å; I77-L81 VanDerWaalsContact CG2-CD1 3.49Å; I77-L81 HydrophobicContact CG2-CG 4Å; I77-L81 WeakPolarHBondContact O-CB 3.47Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 2.75Å; H79-L81 PolarHBondContact O-N 3.14Å; L81-L84 PolarHBondContact O-N 3.42Å; L81-M85 WeakPolarHBondContact O-CB 3.21Å; L81-M85 VanDerWaalsContact O-CG 3.29Å; L81-M85 WeakPolarHBondContact O-CG 3.25Å; L81-M85 PolarHBondContact O-N 3.34Å; L81-I155 HydrophobicContact CD2-CD1 4.1Å; L81-I155 HydrophobicContact CD2-CG2 4.44Å; L81-I157 HydrophobicContact CD1-CD1 3.5Å; L81-I157 VanDerWaalsContact CD1-CD1 3.5Å
82K92.1Very high90.9Very high120 Ų12058.9 Ų58.952%0.52230%0.297SS..Hα-helixtrans-61.3-50.5175.6-174.4-177.1173.9-172.20110.6N78 H79 L84 M85 E86N78-K82 VanDerWaalsContact O-CB 3.28Å; N78-K82 WeakPolarHBondContact O-CB 3.4Å; N78-K82 PolarHBondContact O-N 3.04Å; H79-K82 PolarHBondContact O-N 3Å; K82-L84 VanDerWaalsContact C-N 3.29Å; K82-L84 PolarHBondContact O-N 3.3Å; K82-M85 PolarHBondContact O-N 3.02Å; K82-E86 WeakPolarHBondContact O-CG 3.31Å; K82-E86 PolarHBondContact O-N 3.06Å
83E92Very high90.8Very high60 Ų6061.8 Ų61.828%0.2831%0.305SS..Hα-helixtrans-60.5-39.1176-170.5-167129.600111.6Y44 K52 H79 E86Y44-E83 WeakPolarHBondContact CE1-OE2 3.24Å; Y44-E83 PolarHBondContact OH-OE2 2.95Å; K52-E83 IonicContact NZ-OE1 2.63Å; K52-E83 PolarHBondContact NZ-OE1 3.41Å; H79-E83 PolarHBondContact O-N 2.9Å; E83-E86 PolarHBondContact O-N 2.92Å
84L92.4Very high90.6Very high2 Ų261.1 Ų61.11%0.0130%0.304CS..Hα-helixtrans-64.4-42.5178.7-175.371.3000112L51 K52 A55 A80 L81 K82 E86 I87 V90 I155L51-L84 HydrophobicContact CB-CD1 4.49Å; L51-L84 HydrophobicContact CB-CD2 4.02Å; K52-L84 HydrophobicContact CB-CD1 4.46Å; K52-L84 HydrophobicContact CG-CD1 3.71Å; A55-L84 HydrophobicContact CB-CD1 4.19Å; A55-L84 HydrophobicContact CB-CD2 4.41Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.22Å; A80-L84 PolarHBondContact O-N 2.97Å; L81-L84 PolarHBondContact O-N 3.42Å; K82-L84 VanDerWaalsContact C-N 3.29Å; K82-L84 PolarHBondContact O-N 3.3Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 2.81Å; L84-I87 WeakPolarHBondContact O-CB 3.41Å; L84-I87 PolarHBondContact O-N 2.82Å; L84-V90 HydrophobicContact CD1-CG1 4.24Å; L84-V90 HydrophobicContact CD1-CG2 4.45Å; L84-V90 HydrophobicContact CD2-CG1 4.18Å; L84-V90 HydrophobicContact CG-CG1 3.69Å; L84-V90 WeakPolarHBondContact O-CG1 3.09Å; L84-I155 HydrophobicContact CD2-CD1 3.87Å
85M90.9Very high90.6Very high46 Ų4661 Ų6123%0.22730%0.3CS..Hα-helixtrans-77-8.5-178.6-70.3-59.4-169.600113.8L81 K82 I87 V90 V94 Q96L81-M85 WeakPolarHBondContact O-CB 3.21Å; L81-M85 VanDerWaalsContact O-CG 3.29Å; L81-M85 WeakPolarHBondContact O-CG 3.25Å; L81-M85 PolarHBondContact O-N 3.34Å; K82-M85 PolarHBondContact O-N 3.02Å; M85-I87 PolarHBondContact O-N 2.93Å; M85-V90 HydrophobicContact SD-CG1 3.89Å; M85-V94 HydrophobicContact CE-CB 3.86Å; M85-V94 HydrophobicContact CE-CG1 3.75Å; M85-Q96 HydrophobicContact CE-CG 3.69Å
86E92.5Very high90.7Very high132 Ų13260.6 Ų60.662%0.61730%0.298SS*.THydrogen-bonded Turntrans-70.9-14.6169.1-73.9167.5-170.400112.2K82 E83 L84K82-E86 WeakPolarHBondContact O-CG 3.31Å; K82-E86 PolarHBondContact O-N 3.06Å; E83-E86 PolarHBondContact O-N 2.92Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 2.81Å
87I92.3Very high90.9Very high58 Ų5860.6 Ų60.630%0.29730%0.298SS..SBendtrans-82.9118.7173.6-55.4171.4000109L84 M85 E89 V90 S91L84-I87 WeakPolarHBondContact O-CB 3.41Å; L84-I87 PolarHBondContact O-N 2.82Å; M85-I87 PolarHBondContact O-N 2.93Å; I87-E89 PolarHBondContact O-N 3.36Å; I87-V90 HydrophobicContact CB-CB 4.1Å; I87-V90 HydrophobicContact CB-CG2 3.87Å; I87-V90 HydrophobicContact CD1-CG2 4.36Å; I87-V90 HydrophobicContact CG2-CB 4.42Å; I87-V90 HydrophobicContact CG2-CG2 3.87Å; I87-V90 WeakPolarHBondContact O-CB 3.49Å; I87-V90 PolarHBondContact O-N 2.83Å; I87-S91 PolarHBondContact O-N 2.82Å
88E88.5Confident91.1Very high159 Ų15964.1 Ų64.174%0.74331%0.314SS*.Hα-helixtrans-55.6-48.2-174.7-65.2-167.316600112.8V90 S91 E92E88-V90 PolarHBondContact O-N 2.75Å; E88-V90 VanDerWaalsContact O-N 3.16Å; E88-S91 PolarHBondContact O-N 2.82Å; E88-S91 VanDerWaalsContact O-N 3.1Å; E88-S91 PolarHBondContact O-OG 2.99Å; E88-E92 PolarHBondContact O-N 2.69Å
89E85.7Confident91.3Very high136 Ų13660.9 Ų60.964%0.63630%0.297SS*.Hα-helixtrans-57.3-32.6178.4-64.2-179.117900113.3I87 N93I87-E89 PolarHBondContact O-N 3.36Å; E89-N93 WeakPolarHBondContact O-CB 3.49Å; E89-N93 PolarHBondContact O-ND2 3.05Å
90V87.3Confident91.6Very high2 Ų260.6 Ų60.61%0.01230%0.297CS..Hα-helixtrans-78.2-43.8178.9171.90000109.8A55 L56 L84 M85 I87 E88 E92 N93 V94A55-V90 HydrophobicContact CB-CG1 4.19Å; A55-V90 HydrophobicContact CB-CG2 4.05Å; L56-V90 HydrophobicContact CD2-CG2 3.83Å; L84-V90 HydrophobicContact CD1-CG1 4.24Å; L84-V90 HydrophobicContact CD1-CG2 4.45Å; L84-V90 HydrophobicContact CD2-CG1 4.18Å; L84-V90 HydrophobicContact CG-CG1 3.69Å; L84-V90 WeakPolarHBondContact O-CG1 3.09Å; M85-V90 HydrophobicContact SD-CG1 3.89Å; I87-V90 HydrophobicContact CB-CB 4.1Å; I87-V90 HydrophobicContact CB-CG2 3.87Å; I87-V90 HydrophobicContact CD1-CG2 4.36Å; I87-V90 HydrophobicContact CG2-CB 4.42Å; I87-V90 HydrophobicContact CG2-CG2 3.87Å; I87-V90 WeakPolarHBondContact O-CB 3.49Å; I87-V90 PolarHBondContact O-N 2.83Å; E88-V90 PolarHBondContact O-N 2.75Å; E88-V90 VanDerWaalsContact O-N 3.16Å; V90-E92 PolarHBondContact O-N 3.39Å; V90-N93 PolarHBondContact O-N 3.47Å; V90-N93 VanDerWaalsContact O-N 3.17Å; V90-V94 HydrophobicContact CB-CG2 4.27Å; V90-V94 HydrophobicContact CG1-CB 4.01Å; V90-V94 HydrophobicContact CG1-CG2 3.48Å; V90-V94 VanDerWaalsContact CG1-CG2 3.48Å; V90-V94 VanDerWaalsContact O-CB 3.32Å; V90-V94 WeakPolarHBondContact O-CB 3.47Å; V90-V94 WeakPolarHBondContact O-CG2 3.18Å; V90-V94 PolarHBondContact O-N 3.43Å
91S87.7Confident91.7Very high62 Ų6260.7 Ų60.743%0.43430%0.298SS..Hα-helixtrans-59.8-32.8-175.874.20000113.4I87 E88I87-S91 PolarHBondContact O-N 2.82Å; E88-S91 PolarHBondContact O-N 2.82Å; E88-S91 VanDerWaalsContact O-N 3.1Å; E88-S91 PolarHBondContact O-OG 2.99Å
92E85.1Confident91.8Very high162 Ų16265.8 Ų65.876%0.75732%0.324SS*.Hα-helixtrans-83.5-30.4179-63.8-173.416600113E88 V90E88-E92 PolarHBondContact O-N 2.69Å; V90-E92 PolarHBondContact O-N 3.39Å
93N85.4Confident92.1Very high89 Ų8966 Ų6648%0.47633%0.33SS..Hα-helixtrans-108-16.8-167.7-66.8-51000114.6E89 V90 C152 P153E89-N93 WeakPolarHBondContact O-CB 3.49Å; E89-N93 PolarHBondContact O-ND2 3.05Å; V90-N93 PolarHBondContact O-N 3.47Å; V90-N93 VanDerWaalsContact O-N 3.17Å; N93-C152 PolarHBondContact O-SG 3.1Å; N93-P153 VanDerWaalsContact O-CD 3.27Å; N93-P153 WeakPolarHBondContact O-CD 3.4Å
94V89.7Confident92.3Very high9 Ų963.8 Ų63.86%0.05532%0.32CS..  trans-99.9126.3-176.51770000111.1A55 M85 V90 P153 I155A55-V94 HydrophobicContact CB-CG2 3.76Å; M85-V94 HydrophobicContact CE-CB 3.86Å; M85-V94 HydrophobicContact CE-CG1 3.75Å; V90-V94 HydrophobicContact CB-CG2 4.27Å; V90-V94 HydrophobicContact CG1-CB 4.01Å; V90-V94 HydrophobicContact CG1-CG2 3.48Å; V90-V94 VanDerWaalsContact CG1-CG2 3.48Å; V90-V94 VanDerWaalsContact O-CB 3.32Å; V90-V94 WeakPolarHBondContact O-CB 3.47Å; V90-V94 WeakPolarHBondContact O-CG2 3.18Å; V90-V94 PolarHBondContact O-N 3.43Å; V94-P153 HydrophobicContact CB-CG 4.29Å; V94-P153 HydrophobicContact CG2-CB 4.46Å; V94-P153 HydrophobicContact CG2-CG 3.55Å; V94-I155 HydrophobicContact CG1-CD1 3.52Å; V94-I155 HydrophobicContact CG1-CG1 3.88Å
95L91.3Very high92.4Very high51 Ų5169.4 Ų69.427%0.26735%0.349SS..EExtended strand (participates in β ladder)trans-98.8142.9170.2-64.9173.9000110.8L118 L143 C152 P153 V154 I155L95-L118 HydrophobicContact CB-CD2 4.09Å; L95-L118 HydrophobicContact CD1-CD2 3.87Å; L95-L143 HydrophobicContact CD1-CD1 4.16Å; L95-L143 HydrophobicContact CD1-CD2 3.69Å; L95-C152 VanDerWaalsContact CD1-SG 3.55Å; L95-C152 VanDerWaalsContact CG-SG 3.54Å; L95-P153 PolarHBondContact N-O 2.67Å; L95-V154 HydrophobicContact CB-CG2 4.49Å; L95-V154 WeakPolarHBondContact O-CA 3.5Å; L95-I155 PolarHBondContact O-N 2.91Å
96Q94.3Very high92.5Very high55 Ų5571 Ų7126%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-113.5136176.2-55.5-177.816.900110M85 H98 I155M85-Q96 HydrophobicContact CE-CG 3.69Å; Q96-H98 PolarHBondContact OE1-NE2 2.83Å; Q96-I155 WeakPolarHBondContact CA-O 3.21Å
97V96.1Very high92.5Very high0 Ų065.3 Ų65.30%033%0.332CS..EExtended strand (participates in β ladder)trans-124.8116.8174.3-178.40000109.3L99 I114 Q117 L118 V154 I155 F156 I157V97-L99 HydrophobicContact CG1-CD2 4.32Å; V97-L99 HydrophobicContact CG1-CG 4.21Å; V97-I114 HydrophobicContact CG1-CB 4.48Å; V97-I114 HydrophobicContact CG1-CG1 4.01Å; V97-Q117 VanDerWaalsContact CA-OE1 3.3Å; V97-Q117 HydrophobicContact CG1-CB 4.4Å; V97-Q117 HydrophobicContact CG2-CB 4.39Å; V97-L118 HydrophobicContact CG2-CD2 3.61Å; V97-L118 HydrophobicContact CG2-CG 3.95Å; V97-V154 HydrophobicContact CG2-CG1 3.86Å; V97-I155 PolarHBondContact N-O 2.92Å; V97-F156 HydrophobicContact CB-CD1 3.7Å; V97-F156 HydrophobicContact CB-CE1 3.87Å; V97-F156 HydrophobicContact CB-CG 4.4Å; V97-F156 HydrophobicContact CG1-CD1 3.79Å; V97-F156 HydrophobicContact CG1-CE1 3.87Å; V97-F156 HydrophobicContact CG2-CD1 4.34Å; V97-F156 HydrophobicContact CG2-CE1 4.03Å; V97-F156 HydrophobicContact CG2-CZ 4.5Å; V97-F156 CarbonylContact O-C 3.58Å; V97-F156 WeakPolarHBondContact O-CA 3.42Å; V97-I157 PolarHBondContact O-N 3.11Å
98H97.4Very high92.5Very high76 Ų7670.1 Ų70.135%0.35235%0.351SS..EExtended strand (participates in β ladder)trans-105.6116.9-179-65-101.4000109.9Q96 Q117 I157Q96-H98 PolarHBondContact OE1-NE2 2.83Å; H98-Q117 PolarHBondContact O-NE2 3.48Å; H98-I157 WeakPolarHBondContact CE1-CD1 3.42Å
99L97.7Very high92.7Very high4 Ų466.2 Ų66.22%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-118.5143.9175.9-58.7175.5000109.2V97 Q104 E113 I114 I157 L158 D159 F164 L172V97-L99 HydrophobicContact CG1-CD2 4.32Å; V97-L99 HydrophobicContact CG1-CG 4.21Å; L99-Q104 HydrophobicContact CD2-CG 4.44Å; L99-E113 HydrophobicContact CD2-CB 4.06Å; L99-E113 HydrophobicContact CD2-CG 3.89Å; L99-I114 HydrophobicContact CD1-CD1 4.05Å; L99-I114 HydrophobicContact CD1-CG1 3.97Å; L99-I114 HydrophobicContact CD2-CG1 4.21Å; L99-I157 PolarHBondContact N-O 3.28Å; L99-L158 WeakPolarHBondContact O-CA 3.49Å; L99-D159 PolarHBondContact O-N 3.02Å; L99-F164 HydrophobicContact CB-CE2 4.47Å; L99-F164 HydrophobicContact CB-CZ 3.82Å; L99-L172 HydrophobicContact CD1-CD2 4.29Å
100N97.8Very high93.2Very high40 Ų4059.7 Ų59.721%0.21430%0.304CS..EExtended strand (participates in β ladder)trans-129.9124.6177.4-171.1-49.4000109.5L102 L103 Q104 D159N100-L102 PolarHBondContact O-N 3.31Å; N100-L102 WeakPolarHBondContact OD1-CB 3.43Å; N100-L102 PolarHBondContact OD1-N 3.26Å; N100-L103 HydrophobicContact CB-CB 4.45Å; N100-L103 HydrophobicContact CB-CD1 4.2Å; N100-L103 HydrophobicContact CB-CG 4.22Å; N100-L103 PolarHBondContact O-N 3.38Å; N100-Q104 PolarHBondContact O-N 3.34Å; N100-Q104 PolarHBondContact O-OE1 2.81Å; N100-D159 HydrophobicContact CB-CB 4.41Å
101G96.4Very high93.4Very high3 Ų360.4 Ų60.43%0.03131%0.308CS..THydrogen-bonded Turntrans-60.9-19-177.100000114.6D159 L163 F164G101-D159 PolarHBondContact N-O 3.26Å; G101-L163 VanDerWaalsContact C-CD1 3.46Å; G101-F164 VanDerWaalsContact N-CE2 3.31Å
102L96.4Very high93.6Very high116 Ų11665.2 Ų65.261%0.60732%0.321SS*.THydrogen-bonded Turntrans-77.6-31.3173.6-62.7170.5000112.7N100 E160 L163N100-L102 PolarHBondContact O-N 3.31Å; N100-L102 WeakPolarHBondContact OD1-CB 3.43Å; N100-L102 PolarHBondContact OD1-N 3.26Å; L102-E160 HydrophobicContact CD1-CG 4.25Å; L102-E160 HydrophobicContact CG-CG 4.25Å; L102-L163 HydrophobicContact CD2-CD1 3.61Å; L102-L163 HydrophobicContact CG-CD1 3.95Å
103L96.8Very high94Very high123 Ų12359.3 Ų59.364%0.64429%0.293SS*.THydrogen-bonded Turntrans-88.6-48.8-179.8-61.2179.2000110.6N100 I105N100-L103 HydrophobicContact CB-CB 4.45Å; N100-L103 HydrophobicContact CB-CD1 4.2Å; N100-L103 HydrophobicContact CB-CG 4.22Å; N100-L103 PolarHBondContact O-N 3.38Å; L103-I105 PolarHBondContact O-N 3.15Å
104Q96.6Very high94.4Very high14 Ų1455 Ų557%0.06527%0.27CS..  trans-96.774.8-178-64.285.931.100111.4L99 N100 N106 I109 A110 E113 F164 H167L99-Q104 HydrophobicContact CD2-CG 4.44Å; N100-Q104 PolarHBondContact O-N 3.34Å; N100-Q104 PolarHBondContact O-OE1 2.81Å; Q104-N106 PolarHBondContact O-N 3.05Å; Q104-N106 VanDerWaalsContact O-N 3.12Å; Q104-I109 HydrophobicContact CB-CG2 4.41Å; Q104-I109 HydrophobicContact CG-CG2 4.01Å; Q104-A110 HydrophobicContact CB-CB 4.1Å; Q104-A110 HydrophobicContact CG-CB 4.45Å; Q104-E113 HydrophobicContact CG-CB 4.32Å; Q104-F164 HydrophobicContact CB-CE1 4.27Å; Q104-H167 PolarHBondContact O-CE1 3.45Å; Q104-H167 VanDerWaalsContact O-CE1 3.23Å; Q104-H167 PolarHBondContact O-NE2 3.02Å
105I95Very high94.5Very high121 Ų12155.3 Ų55.362%0.62127%0.272SS*.  trans-68.9-3.7-179.762.2170.6000115.2L103 I109 H167L103-I105 PolarHBondContact O-N 3.15Å; I105-I109 HydrophobicContact CG1-CD1 3.92Å; I105-H167 PolarHBondContact O-NE2 2.76Å
106N93.3Very high94.6Very high79 Ų7958.5 Ų58.542%0.42228%0.281SS..SBendtrans-149.1143.4-177.5-168.8-26.7000110Q104 K108 I109 A110Q104-N106 PolarHBondContact O-N 3.05Å; Q104-N106 VanDerWaalsContact O-N 3.12Å; N106-K108 PolarHBondContact O-N 3.15Å; N106-K108 VanDerWaalsContact O-N 3.14Å; N106-K108 PolarHBondContact OD1-N 3.21Å; N106-I109 HydrophobicContact CB-CD1 4.24Å; N106-I109 HydrophobicContact CB-CG1 4.32Å; N106-I109 PolarHBondContact O-N 3Å; N106-A110 PolarHBondContact O-N 3.24Å
107D92.7Very high94.5Very high12 Ų1257.8 Ų57.86%0.06428%0.277CS..Hα-helixtrans-54.7-33.1178.4-67.4-23000112.7I109 A110 L111 F132 H167 T171 L172D107-I109 PolarHBondContact O-N 2.91Å; D107-A110 PolarHBondContact O-N 3.1Å; D107-L111 WeakPolarHBondContact O-CB 3.28Å; D107-L111 PolarHBondContact O-N 2.92Å; D107-F132 HydrophobicContact CB-CD2 4.49Å; D107-F132 HydrophobicContact CB-CE2 4.06Å; D107-H167 IonicContact OD1-CE1 3.8Å; D107-H167 IonicContact OD1-CG 3.39Å; D107-H167 IonicContact OD1-ND1 2.76Å; D107-H167 PolarHBondContact OD1-ND1 3.2Å; D107-T171 VanDerWaalsContact OD2-CB 3.28Å; D107-T171 WeakPolarHBondContact OD2-CB 3.32Å; D107-T171 PolarHBondContact OD2-N 3.32Å; D107-L172 VanDerWaalsContact OD1-CB 3.3Å; D107-L172 WeakPolarHBondContact OD1-CB 3.45Å
108K91Very high94.2Very high159 Ų15958.1 Ų58.169%0.69128%0.279SS*.Hα-helixtrans-64.7-38.7175.6-68.1-174.6178.2-176.50112.9N106 K112N106-K108 PolarHBondContact O-N 3.15Å; N106-K108 VanDerWaalsContact O-N 3.14Å; N106-K108 PolarHBondContact OD1-N 3.21Å; K108-K112 WeakPolarHBondContact O-CG 3.45Å; K108-K112 PolarHBondContact O-N 3.2Å
109I94.2Very high93.7Very high77 Ų7760.9 Ų60.940%0.39530%0.296SS..Hα-helixtrans-72.4-42.6178.3-57.1172.7000108.7Q104 I105 N106 D107 L111 K112 E113Q104-I109 HydrophobicContact CB-CG2 4.41Å; Q104-I109 HydrophobicContact CG-CG2 4.01Å; I105-I109 HydrophobicContact CG1-CD1 3.92Å; N106-I109 HydrophobicContact CB-CD1 4.24Å; N106-I109 HydrophobicContact CB-CG1 4.32Å; N106-I109 PolarHBondContact O-N 3Å; D107-I109 PolarHBondContact O-N 2.91Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.06Å; I109-K112 PolarHBondContact O-N 3.41Å; I109-E113 WeakPolarHBondContact O-CB 3.28Å; I109-E113 PolarHBondContact O-N 3.38Å
110A94.7Very high93.1Very high0 Ų061.4 Ų61.40%030%0.299CS..Hα-helixtrans-56.3-45.9174.400000111.7Q104 N106 D107 K112 E113 I114 L172Q104-A110 HydrophobicContact CB-CB 4.1Å; Q104-A110 HydrophobicContact CG-CB 4.45Å; N106-A110 PolarHBondContact O-N 3.24Å; D107-A110 PolarHBondContact O-N 3.1Å; A110-K112 PolarHBondContact O-N 3.4Å; A110-E113 PolarHBondContact O-N 2.96Å; A110-I114 WeakPolarHBondContact O-CG1 3.38Å; A110-I114 PolarHBondContact O-N 3.31Å; A110-L172 HydrophobicContact CB-CD2 3.79Å
111L91.9Very high92.3Very high17 Ų1764.8 Ų64.89%0.08931%0.313CS..Hα-helixtrans-63.9-40.7179.8-17161.8000113.4D107 I109 E113 I114 T115 F132 N135 L136 L139D107-L111 WeakPolarHBondContact O-CB 3.28Å; D107-L111 PolarHBondContact O-N 2.92Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.06Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-I114 PolarHBondContact O-N 2.91Å; L111-T115 PolarHBondContact O-N 3.33Å; L111-T115 PolarHBondContact O-OG1 2.81Å; L111-F132 HydrophobicContact CB-CD2 4.47Å; L111-F132 HydrophobicContact CB-CE2 3.81Å; L111-F132 HydrophobicContact CB-CZ 4.46Å; L111-F132 HydrophobicContact CD1-CE2 4.12Å; L111-F132 HydrophobicContact CD1-CZ 4.16Å; L111-F132 HydrophobicContact CD2-CD2 3.8Å; L111-F132 HydrophobicContact CD2-CE2 3.91Å; L111-F132 HydrophobicContact CG-CE2 4.18Å; L111-N135 HydrophobicContact CD2-CB 4.02Å; L111-N135 WeakPolarHBondContact CD2-ND2 3.42Å; L111-L136 HydrophobicContact CD1-CB 4.47Å; L111-L136 HydrophobicContact CD1-CD1 4.41Å; L111-L139 HydrophobicContact CD1-CD1 4.1Å
112K91.3Very high91.4Very high162 Ų16272.1 Ų72.170%0.70435%0.352SS*.Hα-helixtrans-61.8-43173.2-73.7-175.6176.2-168.20111.2K108 I109 A110 T115 R116K108-K112 WeakPolarHBondContact O-CG 3.45Å; K108-K112 PolarHBondContact O-N 3.2Å; I109-K112 PolarHBondContact O-N 3.41Å; A110-K112 PolarHBondContact O-N 3.4Å; K112-T115 WeakPolarHBondContact O-CB 3.45Å; K112-T115 PolarHBondContact O-N 3.27Å; K112-R116 WeakPolarHBondContact O-CB 3.43Å; K112-R116 PolarHBondContact O-N 3Å
113E94.8Very high90.4Very high38 Ų3870.1 Ų70.118%0.17834%0.344CS..Hα-helixtrans-67.2-38.1179.3-171.458.8-155.800112.4L99 Q104 I109 A110 L111 R116 Q117L99-E113 HydrophobicContact CD2-CB 4.06Å; L99-E113 HydrophobicContact CD2-CG 3.89Å; Q104-E113 HydrophobicContact CG-CB 4.32Å; I109-E113 WeakPolarHBondContact O-CB 3.28Å; I109-E113 PolarHBondContact O-N 3.38Å; A110-E113 PolarHBondContact O-N 2.96Å; L111-E113 VanDerWaalsContact C-N 3.32Å; E113-R116 PolarHBondContact O-N 3.03Å; E113-R116 IonicContact OE1-CZ 3.29Å; E113-R116 VanDerWaalsContact OE1-CZ 3.29Å; E113-R116 IonicContact OE1-NE 3.08Å; E113-R116 PolarHBondContact OE1-NE 3.38Å; E113-R116 VanDerWaalsContact OE1-NE 3.08Å; E113-R116 IonicContact OE1-NH2 2.69Å; E113-R116 PolarHBondContact OE1-NH2 3.29Å; E113-R116 IonicContact OE2-NE 3.15Å; E113-R116 PolarHBondContact OE2-NE 3.47Å; E113-R116 VanDerWaalsContact OE2-NE 3.15Å; E113-Q117 WeakPolarHBondContact O-CB 3.33Å; E113-Q117 WeakPolarHBondContact O-CG 3.49Å; E113-Q117 PolarHBondContact O-N 2.95Å; E113-Q117 PolarHBondContact OE1-NE2 3.34Å
114I93.8Very high89.4Confident0 Ų065.2 Ų65.20%032%0.319CS..Hα-helixtrans-59.5-48.3171.3-66.1165.4000109.8V97 L99 A110 L111 R116 Q117 L118 L136 L139 F156 L172V97-I114 HydrophobicContact CG1-CB 4.48Å; V97-I114 HydrophobicContact CG1-CG1 4.01Å; L99-I114 HydrophobicContact CD1-CD1 4.05Å; L99-I114 HydrophobicContact CD1-CG1 3.97Å; L99-I114 HydrophobicContact CD2-CG1 4.21Å; A110-I114 WeakPolarHBondContact O-CG1 3.38Å; A110-I114 PolarHBondContact O-N 3.31Å; L111-I114 PolarHBondContact O-N 2.91Å; I114-R116 VanDerWaalsContact C-N 3.3Å; I114-R116 PolarHBondContact O-N 2.92Å; I114-Q117 PolarHBondContact O-N 2.96Å; I114-L118 HydrophobicContact CG2-CD1 3.69Å; I114-L118 HydrophobicContact CG2-CG 4.36Å; I114-L118 WeakPolarHBondContact O-CB 3.31Å; I114-L118 VanDerWaalsContact O-CG 3.26Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å; I114-L118 PolarHBondContact O-N 2.98Å; I114-L136 HydrophobicContact CG2-CD1 4.39Å; I114-L139 HydrophobicContact CG2-CD1 4.36Å; I114-F156 HydrophobicContact CD1-CE1 4.07Å; I114-F156 HydrophobicContact CG1-CE1 3.98Å; I114-F156 HydrophobicContact CG2-CE1 3.9Å; I114-F156 HydrophobicContact CG2-CZ 4.3Å; I114-L172 HydrophobicContact CD1-CD1 3.83Å
115T91.6Very high88.4Confident14 Ų1467 Ų679%0.08634%0.341CS..Hα-helixtrans-59.2-42.8179.2-53.30000111.6L111 K112 N119 L120 E121 V124 L139L111-T115 PolarHBondContact O-N 3.33Å; L111-T115 PolarHBondContact O-OG1 2.81Å; K112-T115 WeakPolarHBondContact O-CB 3.45Å; K112-T115 PolarHBondContact O-N 3.27Å; T115-N119 PolarHBondContact O-N 3.47Å; T115-L120 HydrophobicContact CG2-CB 4.41Å; T115-L120 PolarHBondContact O-N 3.37Å; T115-L120 VanDerWaalsContact O-N 3.11Å; T115-E121 HydrophobicContact CG2-CG 4.23Å; T115-V124 HydrophobicContact CG2-CB 4.48Å; T115-V124 HydrophobicContact CG2-CG2 3.96Å; T115-L139 HydrophobicContact CG2-CD2 3.88Å; T115-L139 WeakPolarHBondContact OG1-CD1 3.32Å
116R92.7Very high87.5Confident119 Ų11969.3 Ų69.345%0.44936%0.355SS..Hα-helixtrans-63.5-50177.4-171.5-171.479.570.63.5112.1K112 E113 I114 L118 N119 E121K112-R116 WeakPolarHBondContact O-CB 3.43Å; K112-R116 PolarHBondContact O-N 3Å; E113-R116 PolarHBondContact O-N 3.03Å; E113-R116 IonicContact OE1-CZ 3.29Å; E113-R116 VanDerWaalsContact OE1-CZ 3.29Å; E113-R116 IonicContact OE1-NE 3.08Å; E113-R116 PolarHBondContact OE1-NE 3.38Å; E113-R116 VanDerWaalsContact OE1-NE 3.08Å; E113-R116 IonicContact OE1-NH2 2.69Å; E113-R116 PolarHBondContact OE1-NH2 3.29Å; E113-R116 IonicContact OE2-NE 3.15Å; E113-R116 PolarHBondContact OE2-NE 3.47Å; E113-R116 VanDerWaalsContact OE2-NE 3.15Å; I114-R116 VanDerWaalsContact C-N 3.3Å; I114-R116 PolarHBondContact O-N 2.92Å; R116-L118 VanDerWaalsContact C-N 3.29Å; R116-L118 PolarHBondContact O-N 3.46Å; R116-N119 PolarHBondContact O-N 2.83Å; R116-N119 PolarHBondContact O-OD1 2.97Å; R116-E121 WeakPolarHBondContact CA-OE1 3.42Å; R116-E121 VanDerWaalsContact CB-OE1 3.24Å; R116-E121 WeakPolarHBondContact CB-OE1 3.43Å; R116-E121 WeakPolarHBondContact CG-OE1 3.28Å
117Q93.3Very high86.7Confident40 Ų4071.3 Ų71.319%0.18736%0.36CS..Hα-helixtrans-69.9-25.7-177.2-70.4-173.235.100113.4V97 H98 E113 I114 N119V97-Q117 VanDerWaalsContact CA-OE1 3.3Å; V97-Q117 HydrophobicContact CG1-CB 4.4Å; V97-Q117 HydrophobicContact CG2-CB 4.39Å; H98-Q117 PolarHBondContact O-NE2 3.48Å; E113-Q117 WeakPolarHBondContact O-CB 3.33Å; E113-Q117 WeakPolarHBondContact O-CG 3.49Å; E113-Q117 PolarHBondContact O-N 2.95Å; E113-Q117 PolarHBondContact OE1-NE2 3.34Å; I114-Q117 PolarHBondContact O-N 2.96Å; Q117-N119 VanDerWaalsContact C-N 3.26Å; Q117-N119 PolarHBondContact O-N 3.12Å
118L89.8Confident85.9Confident7 Ų777.6 Ų77.64%0.03740%0.398CS..THydrogen-bonded Turntrans-81.5-1.3172.1-64.3175.3000113.4L95 V97 I114 R116 L120 L143 V154L95-L118 HydrophobicContact CB-CD2 4.09Å; L95-L118 HydrophobicContact CD1-CD2 3.87Å; V97-L118 HydrophobicContact CG2-CD2 3.61Å; V97-L118 HydrophobicContact CG2-CG 3.95Å; I114-L118 HydrophobicContact CG2-CD1 3.69Å; I114-L118 HydrophobicContact CG2-CG 4.36Å; I114-L118 WeakPolarHBondContact O-CB 3.31Å; I114-L118 VanDerWaalsContact O-CG 3.26Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å; I114-L118 PolarHBondContact O-N 2.98Å; R116-L118 VanDerWaalsContact C-N 3.29Å; R116-L118 PolarHBondContact O-N 3.46Å; L118-L120 HydrophobicContact CB-CD1 3.92Å; L118-L120 HydrophobicContact CB-CG 4Å; L118-L120 HydrophobicContact CD1-CD1 4.3Å; L118-L120 PolarHBondContact O-N 2.86Å; L118-L143 HydrophobicContact CD1-CD1 4.11Å; L118-L143 HydrophobicContact CD2-CD1 4.01Å; L118-V154 HydrophobicContact CD2-CG1 4Å; L118-V154 HydrophobicContact CD2-CG2 4.29Å
119N87Confident85.4Confident133 Ų13371.9 Ų71.971%0.71137%0.374SS*.THydrogen-bonded Turntrans56.531-175.6-58.8-39.5000113.8T115 R116 Q117T115-N119 PolarHBondContact O-N 3.47Å; R116-N119 PolarHBondContact O-N 2.83Å; R116-N119 PolarHBondContact O-OD1 2.97Å; Q117-N119 VanDerWaalsContact C-N 3.26Å; Q117-N119 PolarHBondContact O-N 3.12Å
120L83.8Confident84.6Confident15 Ų1571.9 Ų71.98%0.07939%0.393CS..  trans-1009.3-177.2-66.9175.3000113.5T115 L118 N122 V123 V124 L139 A142 L143T115-L120 HydrophobicContact CG2-CB 4.41Å; T115-L120 PolarHBondContact O-N 3.37Å; T115-L120 VanDerWaalsContact O-N 3.11Å; L118-L120 HydrophobicContact CB-CD1 3.92Å; L118-L120 HydrophobicContact CB-CG 4Å; L118-L120 HydrophobicContact CD1-CD1 4.3Å; L118-L120 PolarHBondContact O-N 2.86Å; L120-N122 VanDerWaalsContact C-N 3.28Å; L120-N122 PolarHBondContact O-N 2.95Å; L120-V123 HydrophobicContact CD2-CB 4.26Å; L120-V123 HydrophobicContact CD2-CG2 3.9Å; L120-V123 WeakPolarHBondContact O-CB 3.27Å; L120-V123 PolarHBondContact O-N 2.88Å; L120-V124 WeakPolarHBondContact O-CG2 3.3Å; L120-V124 PolarHBondContact O-N 2.72Å; L120-L139 HydrophobicContact CB-CD2 3.81Å; L120-L139 HydrophobicContact CD1-CB 4.06Å; L120-L139 HydrophobicContact CD1-CD2 3.74Å; L120-L139 WeakPolarHBondContact CD1-O 3.37Å; L120-L139 HydrophobicContact CG-CD2 4.45Å; L120-A142 HydrophobicContact CD1-CB 4.23Å; L120-A142 HydrophobicContact CD2-CB 4.07Å; L120-L143 HydrophobicContact CD1-CD2 4.41Å; L120-L143 HydrophobicContact CD1-CG 4.26Å
121E81Confident84Confident111 Ų11174.7 Ų74.752%0.51941%0.412SS..Hα-helixtrans-56-42.6-179-62.7-172.6154.300112.3T115 R116 V123 V124 G125T115-E121 HydrophobicContact CG2-CG 4.23Å; R116-E121 WeakPolarHBondContact CA-OE1 3.42Å; R116-E121 VanDerWaalsContact CB-OE1 3.24Å; R116-E121 WeakPolarHBondContact CB-OE1 3.43Å; R116-E121 WeakPolarHBondContact CG-OE1 3.28Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 2.62Å; E121-V124 PolarHBondContact O-N 3.27Å; E121-G125 PolarHBondContact O-N 2.73Å
122N77.3Confident83.6Confident158 Ų15875.5 Ų75.585%0.84542%0.415SS*.Hα-helixtrans-71-25.5178.3-64.5-27.8000113.2L120L120-N122 VanDerWaalsContact C-N 3.28Å; L120-N122 PolarHBondContact O-N 2.95Å
123V76.6Confident83.2Confident73 Ų7369.4 Ų69.444%0.44240%0.395SS..Hα-helixtrans-80.5-34.3-179.8-178.30000110.7L120 E121 F138 A142L120-V123 HydrophobicContact CD2-CB 4.26Å; L120-V123 HydrophobicContact CD2-CG2 3.9Å; L120-V123 WeakPolarHBondContact O-CB 3.27Å; L120-V123 PolarHBondContact O-N 2.88Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 2.62Å; V123-F138 HydrophobicContact CG1-CE1 4.23Å; V123-F138 HydrophobicContact CG1-CZ 4.21Å; V123-A142 HydrophobicContact CG1-CB 4.39Å
124V75.6Confident82.8Confident20 Ų2072.4 Ų72.412%0.12141%0.409CS..Hα-helixtrans-75.8-45.2176.5173.30000111.1T115 L120 E121 D126 K127 F129 F138 L139T115-V124 HydrophobicContact CG2-CB 4.48Å; T115-V124 HydrophobicContact CG2-CG2 3.96Å; L120-V124 WeakPolarHBondContact O-CG2 3.3Å; L120-V124 PolarHBondContact O-N 2.72Å; E121-V124 PolarHBondContact O-N 3.27Å; V124-D126 PolarHBondContact O-N 3.2Å; V124-K127 VanDerWaalsContact O-CB 3.27Å; V124-K127 WeakPolarHBondContact O-CB 3.44Å; V124-K127 WeakPolarHBondContact O-CG 3.48Å; V124-K127 PolarHBondContact O-N 3.49Å; V124-F129 HydrophobicContact CG1-CE2 3.74Å; V124-F129 HydrophobicContact CG1-CZ 4.36Å; V124-F138 HydrophobicContact CG2-CD1 4.35Å; V124-F138 HydrophobicContact CG2-CE1 4.11Å; V124-L139 HydrophobicContact CG2-CD2 3.57Å
125G74.5Confident82.4Confident51 Ų5173.6 Ų73.653%0.52642%0.415SS..THydrogen-bonded Turntrans49.8-130.8178.600000112.7E121 K127E121-G125 PolarHBondContact O-N 2.73Å; G125-K127 VanDerWaalsContact C-N 3.34Å
126D76Confident82.1Confident171 Ų17172.9 Ų72.991%0.91441%0.411SS*.THydrogen-bonded Turntrans-89.413.3178.3-66.1-38000114V124 V128V124-D126 PolarHBondContact O-N 3.2Å; D126-V128 PolarHBondContact O-N 3.31Å
127K77.4Confident81.6Confident121 Ų12169.6 Ų69.653%0.52641%0.406SS..  trans-66.5124.8179.7-72.6-176.8176.8179.20110.9V124 G125 F129 F138V124-K127 VanDerWaalsContact O-CB 3.27Å; V124-K127 WeakPolarHBondContact O-CB 3.44Å; V124-K127 WeakPolarHBondContact O-CG 3.48Å; V124-K127 PolarHBondContact O-N 3.49Å; G125-K127 VanDerWaalsContact C-N 3.34Å; K127-F129 HydrophobicContact CB-CE2 4.25Å; K127-F129 HydrophobicContact CB-CZ 4.06Å; K127-F138 HydrophobicContact CD-CZ 4.18Å
128V76.1Confident81.2Confident143 Ų14369.9 Ų69.987%0.86741%0.407SS*.  trans-94.7114.5173.7-176.50000108.8D126D126-V128 PolarHBondContact O-N 3.31Å
129F81.1Confident81Confident40 Ų4069.6 Ų69.618%0.17541%0.405CS..  trans-88.6141173.9-57-80.5000110.7V124 K127 E134 N135 F138V124-F129 HydrophobicContact CG1-CE2 3.74Å; V124-F129 HydrophobicContact CG1-CZ 4.36Å; K127-F129 HydrophobicContact CB-CE2 4.25Å; K127-F129 HydrophobicContact CB-CZ 4.06Å; F129-E134 HydrophobicContact CD1-CG 4.23Å; F129-N135 HydrophobicContact CB-CB 3.82Å; F129-N135 HydrophobicContact CD1-CB 4.35Å; F129-N135 HydrophobicContact CD2-CB 3.63Å; F129-N135 WeakPolarHBondContact CD2-ND2 3.49Å; F129-N135 HydrophobicContact CE2-CB 4.26Å; F129-N135 WeakPolarHBondContact CE2-OD1 3.36Å; F129-N135 HydrophobicContact CG-CB 3.66Å; F129-F138 HydrophobicContact CD1-CB 4.42Å; F129-F138 HydrophobicContact CE1-CB 3.64Å; F129-F138 AromaticContact CE1-CD1 3.7Å; F129-F138 HydrophobicContact CE1-CD1 3.7Å; F129-F138 HydrophobicContact CE1-CD2 4.05Å; F129-F138 HydrophobicContact CE1-CE1 4.38Å; F129-F138 AromaticContact CE1-CG 3.5Å; F129-F138 HydrophobicContact CE1-CG 3.5Å; F129-F138 VanDerWaalsContact CE1-CG 3.5Å; F129-F138 HydrophobicContact CE2-CD1 4.41Å; F129-F138 HydrophobicContact CZ-CB 4.09Å; F129-F138 AromaticContact CZ-CD1 3.33Å; F129-F138 HydrophobicContact CZ-CD1 3.33Å; F129-F138 HydrophobicContact CZ-CD2 4.44Å; F129-F138 AromaticContact CZ-CE1 3.83Å; F129-F138 HydrophobicContact CZ-CE1 3.83Å; F129-F138 AromaticContact CZ-CG 3.69Å; F129-F138 HydrophobicContact CZ-CG 3.69Å
130G77Confident80.6Confident77 Ų7763.5 Ų63.579%0.79437%0.373SS*.SBendtrans-74.7-26.9-178.800000113E134G130-E134 PolarHBondContact N-OE2 3.12Å
131S82.4Confident80.5Confident58 Ų5868.1 Ų68.141%0.40639%0.394SS..SBendtrans-139.3160.2179.774.30000113.4A133 E134 N135S131-A133 VanDerWaalsContact C-N 3.31Å; S131-A133 PolarHBondContact O-N 3.44Å; S131-E134 PolarHBondContact O-N 3.25Å; S131-E134 VanDerWaalsContact OG-CB 3.26Å; S131-E134 WeakPolarHBondContact OG-CB 3.35Å; S131-E134 PolarHBondContact OG-N 3.15Å; S131-E134 VanDerWaalsContact OG-N 3.12Å; S131-N135 PolarHBondContact O-N 2.84Å
132F83.5Confident80.3Confident35 Ų3565.1 Ų65.115%0.15439%0.388CS..Hα-helixtrans-60.1-42.7173.2-178.7-80.3000111.7D107 L111 N135 L136 T171 L172 N175D107-F132 HydrophobicContact CB-CD2 4.49Å; D107-F132 HydrophobicContact CB-CE2 4.06Å; L111-F132 HydrophobicContact CB-CD2 4.47Å; L111-F132 HydrophobicContact CB-CE2 3.81Å; L111-F132 HydrophobicContact CB-CZ 4.46Å; L111-F132 HydrophobicContact CD1-CE2 4.12Å; L111-F132 HydrophobicContact CD1-CZ 4.16Å; L111-F132 HydrophobicContact CD2-CD2 3.8Å; L111-F132 HydrophobicContact CD2-CE2 3.91Å; L111-F132 HydrophobicContact CG-CE2 4.18Å; F132-N135 PolarHBondContact O-N 3.02Å; F132-L136 HydrophobicContact CE1-CB 4.47Å; F132-L136 HydrophobicContact CE1-CD2 4.12Å; F132-L136 PolarHBondContact O-N 2.87Å; F132-T171 HydrophobicContact CB-CG2 3.99Å; F132-T171 HydrophobicContact CD1-CG2 3.97Å; F132-T171 HydrophobicContact CG-CG2 3.91Å; F132-L172 HydrophobicContact CE1-CD1 4.34Å; F132-L172 HydrophobicContact CZ-CB 4.13Å; F132-L172 HydrophobicContact CZ-CD1 3.69Å; F132-N175 HydrophobicContact CD1-CB 4.21Å; F132-N175 VanDerWaalsContact CD1-ND2 3.28Å; F132-N175 WeakPolarHBondContact CD1-ND2 3.29Å; F132-N175 HydrophobicContact CE1-CB 4.02Å
133A82.4Confident80.2Confident34 Ų3458.8 Ų58.828%0.28135%0.354SS..Hα-helixtrans-61.7-44.6-179.700000111.3S131 N135 L136 S137 N175S131-A133 VanDerWaalsContact C-N 3.31Å; S131-A133 PolarHBondContact O-N 3.44Å; A133-N135 PolarHBondContact O-N 2.78Å; A133-L136 PolarHBondContact O-N 3.44Å; A133-S137 WeakPolarHBondContact O-CB 3.48Å; A133-S137 PolarHBondContact O-N 3.5Å; A133-S137 PolarHBondContact O-OG 3.34Å; A133-S137 VanDerWaalsContact O-OG 3.09Å; A133-N175 WeakPolarHBondContact CB-OD1 3.32Å
134E85.2Confident79.8Confident100 Ų10058.7 Ų58.747%0.46735%0.348SS..Hα-helixtrans-62.8-42.2178.8-173.3-178.5-164.200112.2F129 G130 S131 F138F129-E134 HydrophobicContact CD1-CG 4.23Å; G130-E134 PolarHBondContact N-OE2 3.12Å; S131-E134 PolarHBondContact O-N 3.25Å; S131-E134 VanDerWaalsContact OG-CB 3.26Å; S131-E134 WeakPolarHBondContact OG-CB 3.35Å; S131-E134 PolarHBondContact OG-N 3.15Å; S131-E134 VanDerWaalsContact OG-N 3.12Å; E134-F138 VanDerWaalsContact O-CB 3.27Å; E134-F138 WeakPolarHBondContact O-CB 3.46Å; E134-F138 PolarHBondContact O-N 3.21Å
135N86.3Confident79Confident25 Ų2566 Ų6613%0.13438%0.378CS..Hα-helixtrans-63.1-47.4175.3-167.8-14.7000111.1L111 F129 S131 F132 A133 S137 F138 L139L111-N135 HydrophobicContact CD2-CB 4.02Å; L111-N135 WeakPolarHBondContact CD2-ND2 3.42Å; F129-N135 HydrophobicContact CB-CB 3.82Å; F129-N135 HydrophobicContact CD1-CB 4.35Å; F129-N135 HydrophobicContact CD2-CB 3.63Å; F129-N135 WeakPolarHBondContact CD2-ND2 3.49Å; F129-N135 HydrophobicContact CE2-CB 4.26Å; F129-N135 WeakPolarHBondContact CE2-OD1 3.36Å; F129-N135 HydrophobicContact CG-CB 3.66Å; S131-N135 PolarHBondContact O-N 2.84Å; F132-N135 PolarHBondContact O-N 3.02Å; A133-N135 PolarHBondContact O-N 2.78Å; N135-S137 PolarHBondContact O-N 3.25Å; N135-F138 PolarHBondContact O-N 2.77Å; N135-L139 VanDerWaalsContact O-CG 3.31Å; N135-L139 WeakPolarHBondContact O-CG 3.32Å; N135-L139 PolarHBondContact O-N 2.94Å
136L84.5Confident78Confident0 Ų067.6 Ų67.60%040%0.395CS..Hα-helixtrans-64.1-42.3179.4-172.663.1000112.2L111 I114 F132 A133 L139 L140 N175 L176 I179L111-L136 HydrophobicContact CD1-CB 4.47Å; L111-L136 HydrophobicContact CD1-CD1 4.41Å; I114-L136 HydrophobicContact CG2-CD1 4.39Å; F132-L136 HydrophobicContact CE1-CB 4.47Å; F132-L136 HydrophobicContact CE1-CD2 4.12Å; F132-L136 PolarHBondContact O-N 2.87Å; A133-L136 PolarHBondContact O-N 3.44Å; L136-L139 PolarHBondContact O-N 3.01Å; L136-L140 HydrophobicContact CD1-CD1 4.49Å; L136-L140 HydrophobicContact CG-CD1 4.18Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.3Å; L136-L140 VanDerWaalsContact O-N 3.1Å; L136-N175 HydrophobicContact CD2-CB 3.92Å; L136-L176 HydrophobicContact CD2-CD2 4.17Å; L136-I179 HydrophobicContact CD2-CD1 3.52Å; L136-I179 HydrophobicContact CG-CD1 3.87Å
137S82.8Confident76.9Confident49 Ų4964.7 Ų64.734%0.34338%0.379SS..Hα-helixtrans-62.3-42.7174.5-66.50000111.5A133 N135 L139 L140 E141A133-S137 WeakPolarHBondContact O-CB 3.48Å; A133-S137 PolarHBondContact O-N 3.5Å; A133-S137 PolarHBondContact O-OG 3.34Å; A133-S137 VanDerWaalsContact O-OG 3.09Å; N135-S137 PolarHBondContact O-N 3.25Å; S137-L139 PolarHBondContact O-N 3.1Å; S137-L140 PolarHBondContact O-N 2.48Å; S137-E141 WeakPolarHBondContact O-CB 3.49Å; S137-E141 WeakPolarHBondContact O-CG 3.43Å; S137-E141 PolarHBondContact O-N 2.8Å
138F85.3Confident75.7Confident47 Ų4767 Ų6721%0.20638%0.384CS..Hα-helixtrans-60.2-44176.2176.5-95.2000112.1V123 V124 K127 F129 E134 N135 L140 E141 A142V123-F138 HydrophobicContact CG1-CE1 4.23Å; V123-F138 HydrophobicContact CG1-CZ 4.21Å; V124-F138 HydrophobicContact CG2-CD1 4.35Å; V124-F138 HydrophobicContact CG2-CE1 4.11Å; K127-F138 HydrophobicContact CD-CZ 4.18Å; F129-F138 HydrophobicContact CD1-CB 4.42Å; F129-F138 HydrophobicContact CE1-CB 3.64Å; F129-F138 AromaticContact CE1-CD1 3.7Å; F129-F138 HydrophobicContact CE1-CD1 3.7Å; F129-F138 HydrophobicContact CE1-CD2 4.05Å; F129-F138 HydrophobicContact CE1-CE1 4.38Å; F129-F138 AromaticContact CE1-CG 3.5Å; F129-F138 HydrophobicContact CE1-CG 3.5Å; F129-F138 VanDerWaalsContact CE1-CG 3.5Å; F129-F138 HydrophobicContact CE2-CD1 4.41Å; F129-F138 HydrophobicContact CZ-CB 4.09Å; F129-F138 AromaticContact CZ-CD1 3.33Å; F129-F138 HydrophobicContact CZ-CD1 3.33Å; F129-F138 HydrophobicContact CZ-CD2 4.44Å; F129-F138 AromaticContact CZ-CE1 3.83Å; F129-F138 HydrophobicContact CZ-CE1 3.83Å; F129-F138 AromaticContact CZ-CG 3.69Å; F129-F138 HydrophobicContact CZ-CG 3.69Å; E134-F138 VanDerWaalsContact O-CB 3.27Å; E134-F138 WeakPolarHBondContact O-CB 3.46Å; E134-F138 PolarHBondContact O-N 3.21Å; N135-F138 PolarHBondContact O-N 2.77Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 3.45Å; F138-E141 PolarHBondContact O-N 3.45Å; F138-A142 PolarHBondContact O-N 2.91Å
139L84.4Confident74.6Confident0 Ų066.5 Ų66.50%038%0.382CS..Hα-helixtrans-59.4-43.7176.3-69.5170.7000111.4L111 I114 T115 L120 V124 N135 L136 S137 A142L111-L139 HydrophobicContact CD1-CD1 4.1Å; I114-L139 HydrophobicContact CG2-CD1 4.36Å; T115-L139 HydrophobicContact CG2-CD2 3.88Å; T115-L139 WeakPolarHBondContact OG1-CD1 3.32Å; L120-L139 HydrophobicContact CB-CD2 3.81Å; L120-L139 HydrophobicContact CD1-CB 4.06Å; L120-L139 HydrophobicContact CD1-CD2 3.74Å; L120-L139 WeakPolarHBondContact CD1-O 3.37Å; L120-L139 HydrophobicContact CG-CD2 4.45Å; V124-L139 HydrophobicContact CG2-CD2 3.57Å; N135-L139 VanDerWaalsContact O-CG 3.31Å; N135-L139 WeakPolarHBondContact O-CG 3.32Å; N135-L139 PolarHBondContact O-N 2.94Å; L136-L139 PolarHBondContact O-N 3.01Å; S137-L139 PolarHBondContact O-N 3.1Å; L139-A142 PolarHBondContact O-N 2.96Å
140L80.4Confident73.5Confident6 Ų667.2 Ų67.23%0.03139%0.392CS..Hα-helixtrans-77.1-29.6-178.6-63.5166.8000112.8L136 S137 F138 L143 K144 V154 I179 T185 I187L136-L140 HydrophobicContact CD1-CD1 4.49Å; L136-L140 HydrophobicContact CG-CD1 4.18Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.3Å; L136-L140 VanDerWaalsContact O-N 3.1Å; S137-L140 PolarHBondContact O-N 2.48Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 3.45Å; L140-L143 HydrophobicContact CD2-CD1 4.42Å; L140-L143 WeakPolarHBondContact O-CB 3.31Å; L140-L143 PolarHBondContact O-N 3.48Å; L140-L143 VanDerWaalsContact O-N 3.17Å; L140-K144 PolarHBondContact O-N 2.89Å; L140-V154 HydrophobicContact CD2-CG2 4.17Å; L140-I179 HydrophobicContact CD1-CD1 3.77Å; L140-I179 HydrophobicContact CD1-CG2 4.02Å; L140-T185 HydrophobicContact CB-CG2 4.01Å; L140-I187 HydrophobicContact CD1-CD1 3.61Å; L140-I187 HydrophobicContact CD2-CD1 3.91Å; L140-I187 HydrophobicContact CG-CD1 4.41Å
141E80.1Confident73Confident111 Ų11164.1 Ų64.152%0.51936%0.358SS..Hα-helixtrans-67.5-35.9171.4-79.5-178.5175.200112S137 F138 L143 K144S137-E141 WeakPolarHBondContact O-CB 3.49Å; S137-E141 WeakPolarHBondContact O-CG 3.43Å; S137-E141 PolarHBondContact O-N 2.8Å; F138-E141 PolarHBondContact O-N 3.45Å; E141-L143 PolarHBondContact O-N 3.33Å; E141-L143 VanDerWaalsContact O-N 3.13Å; E141-K144 HydrophobicContact CG-CD 4.41Å; E141-K144 WeakPolarHBondContact O-CB 3.36Å; E141-K144 PolarHBondContact O-N 3.2Å
142A78.2Confident72.9Confident48 Ų4862.9 Ų62.940%0.39735%0.349SS..THydrogen-bonded Turntrans-60.3-21.5171.800000112.6L120 V123 F138 L139L120-A142 HydrophobicContact CD1-CB 4.23Å; L120-A142 HydrophobicContact CD2-CB 4.07Å; V123-A142 HydrophobicContact CG1-CB 4.39Å; F138-A142 PolarHBondContact O-N 2.91Å; L139-A142 PolarHBondContact O-N 2.96Å
143L73.4Confident73.2Confident25 Ų2561.6 Ų61.613%0.13134%0.344CS..THydrogen-bonded Turntrans-91.6-6.5176.2-61.4173.5000113.6L95 L118 L120 L140 E141 C152 V154L95-L143 HydrophobicContact CD1-CD1 4.16Å; L95-L143 HydrophobicContact CD1-CD2 3.69Å; L118-L143 HydrophobicContact CD1-CD1 4.11Å; L118-L143 HydrophobicContact CD2-CD1 4.01Å; L120-L143 HydrophobicContact CD1-CD2 4.41Å; L120-L143 HydrophobicContact CD1-CG 4.26Å; L140-L143 HydrophobicContact CD2-CD1 4.42Å; L140-L143 WeakPolarHBondContact O-CB 3.31Å; L140-L143 PolarHBondContact O-N 3.48Å; L140-L143 VanDerWaalsContact O-N 3.17Å; E141-L143 PolarHBondContact O-N 3.33Å; E141-L143 VanDerWaalsContact O-N 3.13Å; L143-C152 HydrophobicContact CB-CB 4.3Å; L143-C152 PolarHBondContact O-N 2.96Å; L143-V154 HydrophobicContact CD1-CG2 3.65Å
144K69.8Low73.6Confident71 Ų7160.1 Ų60.131%0.30933%0.331SS..  trans-84.7112.2174.7-78.8174.5162.7156.30110.6L140 E141 G146 Q184 T185L140-K144 PolarHBondContact O-N 2.89Å; E141-K144 HydrophobicContact CG-CD 4.41Å; E141-K144 WeakPolarHBondContact O-CB 3.36Å; E141-K144 PolarHBondContact O-N 3.2Å; K144-G146 VanDerWaalsContact C-N 3.32Å; K144-G146 PolarHBondContact O-N 3.4Å; K144-Q184 WeakPolarHBondContact CE-O 3.23Å; K144-Q184 PolarHBondContact NZ-O 3.27Å; K144-T185 HydrophobicContact CD-CG2 4.1Å; K144-T185 HydrophobicContact CG-CG2 4.16Å
145K57.9Low74.1Confident174 Ų17455.4 Ų55.476%0.75731%0.309SS*.  trans-89.563.9166.3-71.4-176.9179.2173.10111.4D147 S150K145-D147 PolarHBondContact O-N 3.42Å; K145-S150 PolarHBondContact O-OG 3.03Å
146G52.8Low74.6Confident85 Ų8554.2 Ų54.288%0.87630%0.303SS*.SBendtrans73-44.2168.200000117.4K144K144-G146 VanDerWaalsContact C-N 3.32Å; K144-G146 PolarHBondContact O-N 3.4Å
147D53.8Low75.3Confident109 Ų10954.6 Ų54.658%0.58331%0.305SS*.SBendtrans-114.6152.9-175-123.7-18.4000112.8K145 T149 S150 S151K145-D147 PolarHBondContact O-N 3.42Å; D147-T149 VanDerWaalsContact C-N 3.25Å; D147-T149 PolarHBondContact O-N 3.26Å; D147-S150 WeakPolarHBondContact CA-OG 3.31Å; D147-S150 VanDerWaalsContact CB-OG 3.24Å; D147-S150 WeakPolarHBondContact CB-OG 3.34Å; D147-S150 PolarHBondContact N-OG 2.83Å; D147-S150 PolarHBondContact O-N 2.76Å; D147-S150 PolarHBondContact O-OG 3Å; D147-S150 VanDerWaalsContact O-OG 3.07Å; D147-S151 PolarHBondContact O-N 3.43Å; D147-S151 VanDerWaalsContact O-N 3.11Å
148R52.6Low76Confident169 Ų16952.2 Ų52.264%0.63829%0.289SS*.THydrogen-bonded Turntrans-67.6-26.1-176.9-159.6175.289153.34.3112.9S151R148-S151 PolarHBondContact O-OG 3.34Å; R148-S151 VanDerWaalsContact O-OG 3.12Å
149T53.1Low76.5Confident134 Ų13451.8 Ų51.882%0.82229%0.289SS*.THydrogen-bonded Turntrans-88.3-14.6177.748.60000113.2D147D147-T149 VanDerWaalsContact C-N 3.25Å; D147-T149 PolarHBondContact O-N 3.26Å
150S57.9Low77.1Confident55 Ų5553.6 Ų53.639%0.38530%0.297SS..THydrogen-bonded Turntrans-1070.7177.759.50000113.4K145 D147K145-S150 PolarHBondContact O-OG 3.03Å; D147-S150 WeakPolarHBondContact CA-OG 3.31Å; D147-S150 VanDerWaalsContact CB-OG 3.24Å; D147-S150 WeakPolarHBondContact CB-OG 3.34Å; D147-S150 PolarHBondContact N-OG 2.83Å; D147-S150 PolarHBondContact O-N 2.76Å; D147-S150 PolarHBondContact O-OG 3Å; D147-S150 VanDerWaalsContact O-OG 3.07Å
151S67Low77.9Confident12 Ų1253.3 Ų53.38%0.08430%0.295CS..SBendtrans-74.3137.3174.963.70000111.4D147 R148 P153 P186D147-S151 PolarHBondContact O-N 3.43Å; D147-S151 VanDerWaalsContact O-N 3.11Å; R148-S151 PolarHBondContact O-OG 3.34Å; R148-S151 VanDerWaalsContact O-OG 3.12Å; S151-P153 WeakPolarHBondContact O-CD 3.42Å; S151-P186 WeakPolarHBondContact OG-CD 3.48Å; S151-P186 WeakPolarHBondContact OG-CG 3.43Å
152C79.8Confident78.7Confident32 Ų3248.7 Ų48.722%0.21627%0.274CS..  trans-73.7111.3-179.4174.90000110.6N93 L95 L143N93-C152 PolarHBondContact O-SG 3.1Å; L95-C152 VanDerWaalsContact CD1-SG 3.55Å; L95-C152 VanDerWaalsContact CG-SG 3.54Å; L143-C152 HydrophobicContact CB-CB 4.3Å; L143-C152 PolarHBondContact O-N 2.96Å
153P88.7Confident79.7Confident8 Ų849 Ų495%0.05227%0.269CS..  trans-64.6141.4175.225.2-37.1000112.7N93 V94 L95 S151 P186N93-P153 VanDerWaalsContact O-CD 3.27Å; N93-P153 WeakPolarHBondContact O-CD 3.4Å; V94-P153 HydrophobicContact CB-CG 4.29Å; V94-P153 HydrophobicContact CG2-CB 4.46Å; V94-P153 HydrophobicContact CG2-CG 3.55Å; L95-P153 PolarHBondContact N-O 2.67Å; S151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-P186 WeakPolarHBondContact CA-O 3.38Å; P153-P186 HydrophobicContact CB-CB 3.93Å
154V92.1Very high80.8Confident2 Ų247.8 Ų47.81%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-118.7126.6177.8-171.90000111.1L95 V97 L118 L140 L143 F156 P186 I187 A188L95-V154 HydrophobicContact CB-CG2 4.49Å; L95-V154 WeakPolarHBondContact O-CA 3.5Å; V97-V154 HydrophobicContact CG2-CG1 3.86Å; L118-V154 HydrophobicContact CD2-CG1 4Å; L118-V154 HydrophobicContact CD2-CG2 4.29Å; L140-V154 HydrophobicContact CD2-CG2 4.17Å; L143-V154 HydrophobicContact CD1-CG2 3.65Å; V154-F156 HydrophobicContact CB-CE2 3.97Å; V154-F156 HydrophobicContact CG1-CD2 3.93Å; V154-F156 HydrophobicContact CG1-CE1 4.47Å; V154-F156 HydrophobicContact CG1-CE2 3.44Å; V154-F156 VanDerWaalsContact CG1-CE2 3.44Å; V154-F156 HydrophobicContact CG1-CZ 3.76Å; V154-P186 PolarHBondContact N-O 3.22Å; V154-I187 WeakPolarHBondContact O-CA 3.39Å; V154-A188 PolarHBondContact O-N 2.69Å
155I95.4Very high82Confident1 Ų144.8 Ų44.81%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-103110.4175.4-56.4172.6000108.9L51 L81 L84 V94 L95 Q96 V97 I157 A188 I190L51-I155 HydrophobicContact CD2-CD1 3.93Å; L51-I155 HydrophobicContact CD2-CG2 4.21Å; L81-I155 HydrophobicContact CD2-CD1 4.1Å; L81-I155 HydrophobicContact CD2-CG2 4.44Å; L84-I155 HydrophobicContact CD2-CD1 3.87Å; V94-I155 HydrophobicContact CG1-CD1 3.52Å; V94-I155 HydrophobicContact CG1-CG1 3.88Å; L95-I155 PolarHBondContact O-N 2.91Å; Q96-I155 WeakPolarHBondContact CA-O 3.21Å; V97-I155 PolarHBondContact N-O 2.92Å; I155-I157 HydrophobicContact CG2-CD1 4.26Å; I155-I157 HydrophobicContact CG2-CG1 4.16Å; I155-A188 CarbonylContact C-O 3.6Å; I155-A188 HydrophobicContact CB-CB 4.47Å; I155-A188 HydrophobicContact CG1-CB 4.22Å; I155-A188 HydrophobicContact CG2-CB 4.2Å; I155-I190 HydrophobicContact CG2-CD1 3.89Å
156F96.8Very high83.8Confident0 Ų042.2 Ų42.20%024%0.241CC..EExtended strand (participates in β ladder)trans-91.1125.4172.1-68.3-90.9000110.7V97 I114 V154 L158 L176 I187 A188 I190V97-F156 HydrophobicContact CB-CD1 3.7Å; V97-F156 HydrophobicContact CB-CE1 3.87Å; V97-F156 HydrophobicContact CB-CG 4.4Å; V97-F156 HydrophobicContact CG1-CD1 3.79Å; V97-F156 HydrophobicContact CG1-CE1 3.87Å; V97-F156 HydrophobicContact CG2-CD1 4.34Å; V97-F156 HydrophobicContact CG2-CE1 4.03Å; V97-F156 HydrophobicContact CG2-CZ 4.5Å; V97-F156 CarbonylContact O-C 3.58Å; V97-F156 WeakPolarHBondContact O-CA 3.42Å; I114-F156 HydrophobicContact CD1-CE1 4.07Å; I114-F156 HydrophobicContact CG1-CE1 3.98Å; I114-F156 HydrophobicContact CG2-CE1 3.9Å; I114-F156 HydrophobicContact CG2-CZ 4.3Å; V154-F156 HydrophobicContact CB-CE2 3.97Å; V154-F156 HydrophobicContact CG1-CD2 3.93Å; V154-F156 HydrophobicContact CG1-CE1 4.47Å; V154-F156 HydrophobicContact CG1-CE2 3.44Å; V154-F156 VanDerWaalsContact CG1-CE2 3.44Å; V154-F156 HydrophobicContact CG1-CZ 3.76Å; F156-L158 HydrophobicContact CB-CD1 3.84Å; F156-L176 HydrophobicContact CD1-CD2 4.19Å; F156-L176 HydrophobicContact CD2-CD2 4.04Å; F156-L176 HydrophobicContact CE1-CD2 4.13Å; F156-L176 HydrophobicContact CE2-CD2 3.98Å; F156-L176 HydrophobicContact CG-CD2 4.14Å; F156-L176 HydrophobicContact CZ-CD2 4.02Å; F156-I187 HydrophobicContact CD2-CG2 3.59Å; F156-I187 HydrophobicContact CE2-CD1 4.22Å; F156-I187 HydrophobicContact CE2-CG2 3.87Å; F156-A188 PolarHBondContact N-O 3.28Å; F156-I190 PolarHBondContact O-N 3.03Å
157I98Very high85.8Confident8 Ų839.2 Ų39.24%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-115.6115.5175.7-61.1142.3000107.4I77 L81 V97 H98 L99 I155 I190I77-I157 HydrophobicContact CD1-CG2 4.32Å; I77-I157 HydrophobicContact CG2-CD1 4.42Å; I77-I157 HydrophobicContact CG2-CG1 4.46Å; L81-I157 HydrophobicContact CD1-CD1 3.5Å; L81-I157 VanDerWaalsContact CD1-CD1 3.5Å; V97-I157 PolarHBondContact O-N 3.11Å; H98-I157 WeakPolarHBondContact CE1-CD1 3.42Å; L99-I157 PolarHBondContact N-O 3.28Å; I155-I157 HydrophobicContact CG2-CD1 4.26Å; I155-I157 HydrophobicContact CG2-CG1 4.16Å; I157-I190 WeakPolarHBondContact CA-O 3.41Å; I157-I190 HydrophobicContact CG1-CD1 4.46Å
158L97.8Very high87.6Confident0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-109.6100.6-178.4-72.978.8000108.9L99 F156 F161 F164 L173 L176 V189 I190 L192L99-L158 WeakPolarHBondContact O-CA 3.49Å; F156-L158 HydrophobicContact CB-CD1 3.84Å; L158-F161 HydrophobicContact CB-CD2 3.96Å; L158-F161 HydrophobicContact CD2-CD2 4.09Å; L158-F161 HydrophobicContact CD2-CE2 4.21Å; L158-F164 HydrophobicContact CB-CD2 4.22Å; L158-F164 HydrophobicContact CB-CE2 4.08Å; L158-F164 HydrophobicContact CD2-CD2 4.04Å; L158-F164 HydrophobicContact CD2-CE2 4.31Å; L158-F164 HydrophobicContact CD2-CG 4.24Å; L158-F164 HydrophobicContact CG-CD2 4.47Å; L158-F164 HydrophobicContact CG-CE2 4.32Å; L158-L173 HydrophobicContact CD2-CD2 3.7Å; L158-L176 HydrophobicContact CD1-CD1 4.28Å; L158-L176 HydrophobicContact CD2-CD1 4.31Å; L158-V189 HydrophobicContact CD1-CG1 4.02Å; L158-I190 PolarHBondContact N-O 2.81Å; L158-L192 PolarHBondContact O-N 3.01Å
159D97.2Very high89.5Confident38 Ų3838.6 Ų38.620%0.20321%0.205CC..EExtended strand (participates in β ladder)trans-82.5148.3174-154.23.9000111.8L99 N100 G101 F161 F164 L192L99-D159 PolarHBondContact O-N 3.02Å; N100-D159 HydrophobicContact CB-CB 4.41Å; G101-D159 PolarHBondContact N-O 3.26Å; D159-F161 VanDerWaalsContact C-N 3.31Å; D159-F161 PolarHBondContact O-N 2.93Å; D159-F164 WeakPolarHBondContact O-CE2 3.42Å; D159-L192 HydrophobicContact CB-CD1 4.3Å; D159-L192 WeakPolarHBondContact OD1-CD1 3.42Å
160E96.9Very high91.5Very high37 Ų3732.6 Ų32.617%0.17317%0.168CC..THydrogen-bonded Turntrans48.253.5-167.8-61.2-73153.800111.5R69 L102 D162 L163 L192R69-E160 IonicContact NH2-OE2 2.78Å; L102-E160 HydrophobicContact CD1-CG 4.25Å; L102-E160 HydrophobicContact CG-CG 4.25Å; E160-D162 PolarHBondContact O-N 3.02Å; E160-D162 VanDerWaalsContact O-N 3.12Å; E160-L163 HydrophobicContact CB-CD1 3.78Å; E160-L163 HydrophobicContact CB-CG 4.18Å; E160-L163 WeakPolarHBondContact O-CB 3.37Å; E160-L163 PolarHBondContact O-N 2.77Å; E160-L192 PolarHBondContact N-O 2.84Å
161F97.6Very high93.2Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-54.3-32.9-173.5-179.6-91.8000113.7L64 L158 D159 L163 F164 A165 L173 F177 L192 I198 L202L64-F161 HydrophobicContact CD1-CE1 4.41Å; L64-F161 HydrophobicContact CD2-CD1 3.9Å; L64-F161 HydrophobicContact CD2-CD2 4.15Å; L64-F161 HydrophobicContact CD2-CE1 3.86Å; L64-F161 HydrophobicContact CD2-CE2 4.09Å; L64-F161 HydrophobicContact CD2-CG 4.05Å; L64-F161 HydrophobicContact CD2-CZ 3.96Å; L158-F161 HydrophobicContact CB-CD2 3.96Å; L158-F161 HydrophobicContact CD2-CD2 4.09Å; L158-F161 HydrophobicContact CD2-CE2 4.21Å; D159-F161 VanDerWaalsContact C-N 3.31Å; D159-F161 PolarHBondContact O-N 2.93Å; F161-L163 PolarHBondContact O-N 3.5Å; F161-F164 WeakPolarHBondContact O-CB 3.42Å; F161-F164 PolarHBondContact O-N 3.31Å; F161-F164 VanDerWaalsContact O-N 3.15Å; F161-A165 PolarHBondContact O-N 3.29Å; F161-L173 HydrophobicContact CD2-CD2 4.27Å; F161-L173 HydrophobicContact CE1-CD1 4.41Å; F161-L173 HydrophobicContact CE2-CD1 4.3Å; F161-L173 HydrophobicContact CE2-CD2 3.43Å; F161-L173 VanDerWaalsContact CE2-CD2 3.43Å; F161-L173 HydrophobicContact CZ-CD1 3.86Å; F161-L173 HydrophobicContact CZ-CD2 3.8Å; F161-L173 HydrophobicContact CZ-CG 4.46Å; F161-F177 HydrophobicContact CE2-CZ 4.17Å; F161-F177 HydrophobicContact CZ-CE2 4.21Å; F161-F177 AromaticContact CZ-CZ 3.96Å; F161-F177 HydrophobicContact CZ-CZ 3.96Å; F161-L192 VanDerWaalsContact CB-O 3.27Å; F161-L192 WeakPolarHBondContact CB-O 3.38Å; F161-L192 PolarHBondContact N-O 3.44Å; F161-I198 HydrophobicContact CD1-CD1 3.75Å; F161-I198 HydrophobicContact CD1-CG1 3.68Å; F161-I198 HydrophobicContact CE1-CD1 4.05Å; F161-I198 HydrophobicContact CE1-CG1 3.9Å; F161-L202 HydrophobicContact CE1-CD2 4.07Å; F161-L202 HydrophobicContact CZ-CD2 4.27Å
162D96.9Very high94.5Very high14 Ų1431.4 Ų31.48%0.07516%0.158CC..Hα-helixtrans-60.7-28.317747.2-74.2000113.3E160 A165 H166 T193 R195 I198 L201E160-D162 PolarHBondContact O-N 3.02Å; E160-D162 VanDerWaalsContact O-N 3.12Å; D162-A165 WeakPolarHBondContact O-CB 3.42Å; D162-A165 PolarHBondContact O-N 2.95Å; D162-H166 PolarHBondContact O-CE1 3.02Å; D162-H166 PolarHBondContact O-ND1 3.13Å; D162-T193 PolarHBondContact OD1-OG1 3.08Å; D162-R195 HydrophobicContact CB-CG 4.27Å; D162-I198 HydrophobicContact CB-CD1 3.83Å; D162-L201 HydrophobicContact CB-CD1 4.29Å
163L97.4Very high95.2Very high54 Ų5430 Ų3028%0.28315%0.148SC..Hα-helixtrans-69.5-37.9175.7-60177.3000111.8G101 L102 E160 F161 A165 H166 H167G101-L163 VanDerWaalsContact C-CD1 3.46Å; L102-L163 HydrophobicContact CD2-CD1 3.61Å; L102-L163 HydrophobicContact CG-CD1 3.95Å; E160-L163 HydrophobicContact CB-CD1 3.78Å; E160-L163 HydrophobicContact CB-CG 4.18Å; E160-L163 WeakPolarHBondContact O-CB 3.37Å; E160-L163 PolarHBondContact O-N 2.77Å; F161-L163 PolarHBondContact O-N 3.5Å; L163-A165 PolarHBondContact O-N 2.69Å; L163-H166 WeakPolarHBondContact O-CB 3.42Å; L163-H166 PolarHBondContact O-N 3.26Å; L163-H167 PolarHBondContact O-CD2 3.01Å; L163-H167 VanDerWaalsContact O-CD2 3.28Å
164F96.9Very high95.5Very high1 Ų132.1 Ų32.10%0.00416%0.156CC..Hα-helixtrans-63.8-29.1173.4-67-74000112.3L99 G101 Q104 L158 D159 F161 H166 H167 L172 L173L99-F164 HydrophobicContact CB-CE2 4.47Å; L99-F164 HydrophobicContact CB-CZ 3.82Å; G101-F164 VanDerWaalsContact N-CE2 3.31Å; Q104-F164 HydrophobicContact CB-CE1 4.27Å; L158-F164 HydrophobicContact CB-CD2 4.22Å; L158-F164 HydrophobicContact CB-CE2 4.08Å; L158-F164 HydrophobicContact CD2-CD2 4.04Å; L158-F164 HydrophobicContact CD2-CE2 4.31Å; L158-F164 HydrophobicContact CD2-CG 4.24Å; L158-F164 HydrophobicContact CG-CD2 4.47Å; L158-F164 HydrophobicContact CG-CE2 4.32Å; D159-F164 WeakPolarHBondContact O-CE2 3.42Å; F161-F164 WeakPolarHBondContact O-CB 3.42Å; F161-F164 PolarHBondContact O-N 3.31Å; F161-F164 VanDerWaalsContact O-N 3.15Å; F164-H166 PolarHBondContact O-N 2.91Å; F164-H167 AromaticContact CD1-CE1 3.47Å; F164-H167 VanDerWaalsContact CD1-CE1 3.47Å; F164-H167 WeakPolarHBondContact CD1-CE1 3.47Å; F164-H167 AromaticContact CD1-ND1 3.99Å; F164-H167 AromaticContact CE1-CE1 3.98Å; F164-H167 WeakPolarHBondContact O-CB 3.46Å; F164-H167 PolarHBondContact O-N 3.11Å; F164-L172 HydrophobicContact CD1-CD2 3.73Å; F164-L172 HydrophobicContact CE1-CD2 3.91Å; F164-L173 HydrophobicContact CB-CD1 4.22Å; F164-L173 HydrophobicContact CB-CD2 4.07Å; F164-L173 HydrophobicContact CB-CG 4.23Å
165A96.1Very high95.5Very high7 Ų732.7 Ų32.76%0.05816%0.159CC..Hα-helixtrans-69.6-19.5174.400000113.1F161 D162 L163 Q170 L173 I198 L201 L202F161-A165 PolarHBondContact O-N 3.29Å; D162-A165 WeakPolarHBondContact O-CB 3.42Å; D162-A165 PolarHBondContact O-N 2.95Å; L163-A165 PolarHBondContact O-N 2.69Å; A165-Q170 WeakPolarHBondContact O-CG 3.3Å; A165-Q170 PolarHBondContact O-NE2 2.98Å; A165-L173 HydrophobicContact CB-CD1 4.32Å; A165-I198 HydrophobicContact CB-CD1 4.4Å; A165-L201 HydrophobicContact CB-CB 4.02Å; A165-L202 HydrophobicContact CB-CD2 4.31Å
166H95.8Very high95.4Very high120 Ų12032.7 Ų32.756%0.55616%0.159SC*.THydrogen-bonded Turntrans-86.9-5.2175.3-67.981.2000113.3D162 L163 F164D162-H166 PolarHBondContact O-CE1 3.02Å; D162-H166 PolarHBondContact O-ND1 3.13Å; L163-H166 WeakPolarHBondContact O-CB 3.42Å; L163-H166 PolarHBondContact O-N 3.26Å; F164-H166 PolarHBondContact O-N 2.91Å
167H94.8Very high95.2Very high23 Ų2332.7 Ų32.711%0.10616%0.159CC..SBendtrans-64.8149.6176.1-69.4-170.1000111.2Q104 I105 D107 L163 F164 N169 Q170Q104-H167 PolarHBondContact O-CE1 3.45Å; Q104-H167 VanDerWaalsContact O-CE1 3.23Å; Q104-H167 PolarHBondContact O-NE2 3.02Å; I105-H167 PolarHBondContact O-NE2 2.76Å; D107-H167 IonicContact OD1-CE1 3.8Å; D107-H167 IonicContact OD1-CG 3.39Å; D107-H167 IonicContact OD1-ND1 2.76Å; D107-H167 PolarHBondContact OD1-ND1 3.2Å; L163-H167 PolarHBondContact O-CD2 3.01Å; L163-H167 VanDerWaalsContact O-CD2 3.28Å; F164-H167 AromaticContact CD1-CE1 3.47Å; F164-H167 VanDerWaalsContact CD1-CE1 3.47Å; F164-H167 WeakPolarHBondContact CD1-CE1 3.47Å; F164-H167 AromaticContact CD1-ND1 3.99Å; F164-H167 AromaticContact CE1-CE1 3.98Å; F164-H167 WeakPolarHBondContact O-CB 3.46Å; F164-H167 PolarHBondContact O-N 3.11Å; H167-N169 PolarHBondContact O-N 3.2Å; H167-N169 VanDerWaalsContact O-N 3.15Å; H167-Q170 PolarHBondContact O-N 3.49Å; H167-Q170 VanDerWaalsContact O-N 3.08Å
168K91.9Very high94.9Very high173 Ų17335 Ų3575%0.75217%0.171SC*.G310 helixtrans-57.7121.3-179.7-174.5177.8-179.8179.10110.3Q170 T171K168-Q170 PolarHBondContact O-N 3.31Å; K168-T171 PolarHBondContact O-OG1 3.21Å
169N92Very high94.4Very high91 Ų9135.6 Ų35.649%0.48717%0.174SC..G310 helixtrans56.616-180-51.8-15.1000114.2H167 T171 E203 R205H167-N169 PolarHBondContact O-N 3.2Å; H167-N169 VanDerWaalsContact O-N 3.15Å; N169-T171 PolarHBondContact O-N 2.99Å; N169-E203 WeakPolarHBondContact CA-OE1 3.49Å; N169-R205 PolarHBondContact O-NH2 3.04Å
170Q94.1Very high93.9Very high9 Ų934.2 Ų34.24%0.04217%0.167CC..G310 helixtrans44.942.1177.1-60.9176.9-1.800113.6A165 H167 K168 L172 L173 Y174 L201 V206A165-Q170 WeakPolarHBondContact O-CG 3.3Å; A165-Q170 PolarHBondContact O-NE2 2.98Å; H167-Q170 PolarHBondContact O-N 3.49Å; H167-Q170 VanDerWaalsContact O-N 3.08Å; K168-Q170 PolarHBondContact O-N 3.31Å; Q170-L172 PolarHBondContact O-N 2.95Å; Q170-L173 HydrophobicContact CB-CB 4.43Å; Q170-L173 PolarHBondContact O-N 3.43Å; Q170-Y174 WeakPolarHBondContact O-CB 3.14Å; Q170-Y174 PolarHBondContact O-N 2.98Å; Q170-L201 PolarHBondContact NE2-O 3.44Å; Q170-V206 HydrophobicContact CB-CG2 4.15Å
171T93.4Very high93.4Very high42 Ų4237.8 Ų37.826%0.25818%0.184SC..Hα-helixtrans-64.1-44.5-165.7-50.20000111D107 F132 K168 N169 Y174 N175D107-T171 VanDerWaalsContact OD2-CB 3.28Å; D107-T171 WeakPolarHBondContact OD2-CB 3.32Å; D107-T171 PolarHBondContact OD2-N 3.32Å; F132-T171 HydrophobicContact CB-CG2 3.99Å; F132-T171 HydrophobicContact CD1-CG2 3.97Å; F132-T171 HydrophobicContact CG-CG2 3.91Å; K168-T171 PolarHBondContact O-OG1 3.21Å; N169-T171 PolarHBondContact O-N 2.99Å; T171-Y174 PolarHBondContact O-N 3.49Å; T171-N175 WeakPolarHBondContact CG2-ND2 3.41Å; T171-N175 PolarHBondContact O-N 3.46Å; T171-N175 VanDerWaalsContact O-N 3.1Å; T171-N175 PolarHBondContact O-ND2 3.28Å
172L94.5Very high92.5Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-57.5-50.6175.9175.567.4000112L99 D107 A110 I114 F132 F164 Q170 Y174 N175 L176L99-L172 HydrophobicContact CD1-CD2 4.29Å; D107-L172 VanDerWaalsContact OD1-CB 3.3Å; D107-L172 WeakPolarHBondContact OD1-CB 3.45Å; A110-L172 HydrophobicContact CB-CD2 3.79Å; I114-L172 HydrophobicContact CD1-CD1 3.83Å; F132-L172 HydrophobicContact CE1-CD1 4.34Å; F132-L172 HydrophobicContact CZ-CB 4.13Å; F132-L172 HydrophobicContact CZ-CD1 3.69Å; F164-L172 HydrophobicContact CD1-CD2 3.73Å; F164-L172 HydrophobicContact CE1-CD2 3.91Å; Q170-L172 PolarHBondContact O-N 2.95Å; L172-Y174 PolarHBondContact O-N 3.26Å; L172-N175 PolarHBondContact O-N 3Å; L172-L176 HydrophobicContact CD1-CD1 3.85Å; L172-L176 HydrophobicContact CD1-CG 4.12Å; L172-L176 HydrophobicContact CG-CD1 3.98Å; L172-L176 WeakPolarHBondContact O-CB 3.05Å; L172-L176 WeakPolarHBondContact O-CG 3.15Å; L172-L176 PolarHBondContact O-N 3.17Å
173L95.8Very high91Very high1 Ų142 Ų421%0.00522%0.217CC..Hα-helixtrans-64.3-42.4-177.6-62.4-176.3000112.1L158 F161 F164 A165 Q170 F177 L202 V206L158-L173 HydrophobicContact CD2-CD2 3.7Å; F161-L173 HydrophobicContact CD2-CD2 4.27Å; F161-L173 HydrophobicContact CE1-CD1 4.41Å; F161-L173 HydrophobicContact CE2-CD1 4.3Å; F161-L173 HydrophobicContact CE2-CD2 3.43Å; F161-L173 VanDerWaalsContact CE2-CD2 3.43Å; F161-L173 HydrophobicContact CZ-CD1 3.86Å; F161-L173 HydrophobicContact CZ-CD2 3.8Å; F161-L173 HydrophobicContact CZ-CG 4.46Å; F164-L173 HydrophobicContact CB-CD1 4.22Å; F164-L173 HydrophobicContact CB-CD2 4.07Å; F164-L173 HydrophobicContact CB-CG 4.23Å; A165-L173 HydrophobicContact CB-CD1 4.32Å; Q170-L173 HydrophobicContact CB-CB 4.43Å; Q170-L173 PolarHBondContact O-N 3.43Å; L173-F177 HydrophobicContact CB-CE2 4.35Å; L173-F177 WeakPolarHBondContact O-CB 3.44Å; L173-F177 WeakPolarHBondContact O-CD2 3.25Å; L173-F177 WeakPolarHBondContact O-CG 3.43Å; L173-F177 PolarHBondContact O-N 2.96Å; L173-L202 HydrophobicContact CD1-CD2 3.96Å; L173-V206 HydrophobicContact CB-CG1 4Å
174Y94.8Very high89.7Confident54 Ų5445.2 Ų45.221%0.21223%0.231CC..Hα-helixtrans-57.2-51.6176.1179.2-95.8000110.9Q170 T171 L172 F177 D178 R205 V206 R209Q170-Y174 WeakPolarHBondContact O-CB 3.14Å; Q170-Y174 PolarHBondContact O-N 2.98Å; T171-Y174 PolarHBondContact O-N 3.49Å; L172-Y174 PolarHBondContact O-N 3.26Å; Y174-F177 PolarHBondContact O-N 3.37Å; Y174-D178 VanDerWaalsContact O-CB 3.22Å; Y174-D178 WeakPolarHBondContact O-CB 3.34Å; Y174-D178 PolarHBondContact O-N 3.26Å; Y174-R205 HydrophobicContact CD2-CB 4.45Å; Y174-R205 HydrophobicContact CD2-CG 3.97Å; Y174-R205 HydrophobicContact CE2-CB 4.18Å; Y174-R205 HydrophobicContact CE2-CG 4.1Å; Y174-V206 HydrophobicContact CD2-CG2 4.15Å; Y174-R209 PolarHBondContact OH-NH2 3.4Å; Y174-R209 VanDerWaalsContact OH-NH2 3.14Å
175N92Very high88.9Confident14 Ų1445.8 Ų45.88%0.07523%0.234CC..Hα-helixtrans-67.4-42.1-176.9-72.1-71.2000112.1F132 A133 L136 T171 L172 F177 D178 I179F132-N175 HydrophobicContact CD1-CB 4.21Å; F132-N175 VanDerWaalsContact CD1-ND2 3.28Å; F132-N175 WeakPolarHBondContact CD1-ND2 3.29Å; F132-N175 HydrophobicContact CE1-CB 4.02Å; A133-N175 WeakPolarHBondContact CB-OD1 3.32Å; L136-N175 HydrophobicContact CD2-CB 3.92Å; T171-N175 WeakPolarHBondContact CG2-ND2 3.41Å; T171-N175 PolarHBondContact O-N 3.46Å; T171-N175 VanDerWaalsContact O-N 3.1Å; T171-N175 PolarHBondContact O-ND2 3.28Å; L172-N175 PolarHBondContact O-N 3Å; N175-F177 PolarHBondContact O-N 3.3Å; N175-D178 PolarHBondContact O-N 2.92Å; N175-I179 WeakPolarHBondContact O-CB 3.4Å; N175-I179 WeakPolarHBondContact O-CD1 3.23Å; N175-I179 WeakPolarHBondContact O-CG1 3.39Å; N175-I179 PolarHBondContact O-N 3.29Å
176L92.9Very high88.5Confident0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-61.1-43.2176.9-74177.1000112.3L136 F156 L158 L172 S180 V189L136-L176 HydrophobicContact CD2-CD2 4.17Å; F156-L176 HydrophobicContact CD1-CD2 4.19Å; F156-L176 HydrophobicContact CD2-CD2 4.04Å; F156-L176 HydrophobicContact CE1-CD2 4.13Å; F156-L176 HydrophobicContact CE2-CD2 3.98Å; F156-L176 HydrophobicContact CG-CD2 4.14Å; F156-L176 HydrophobicContact CZ-CD2 4.02Å; L158-L176 HydrophobicContact CD1-CD1 4.28Å; L158-L176 HydrophobicContact CD2-CD1 4.31Å; L172-L176 HydrophobicContact CD1-CD1 3.85Å; L172-L176 HydrophobicContact CD1-CG 4.12Å; L172-L176 HydrophobicContact CG-CD1 3.98Å; L172-L176 WeakPolarHBondContact O-CB 3.05Å; L172-L176 WeakPolarHBondContact O-CG 3.15Å; L172-L176 PolarHBondContact O-N 3.17Å; L176-S180 WeakPolarHBondContact O-CB 3.2Å; L176-S180 PolarHBondContact O-N 3.35Å; L176-V189 HydrophobicContact CB-CG2 4.13Å
177F93.2Very high88.3Confident1 Ų140 Ų400%0.00421%0.207CC..Hα-helixtrans-75.1-33.4178.3-64.9-38.9000113.3F161 L173 Y174 N175 S180 Q181 V189 V206 R209 F210F161-F177 HydrophobicContact CE2-CZ 4.17Å; F161-F177 HydrophobicContact CZ-CE2 4.21Å; F161-F177 AromaticContact CZ-CZ 3.96Å; F161-F177 HydrophobicContact CZ-CZ 3.96Å; L173-F177 HydrophobicContact CB-CE2 4.35Å; L173-F177 WeakPolarHBondContact O-CB 3.44Å; L173-F177 WeakPolarHBondContact O-CD2 3.25Å; L173-F177 WeakPolarHBondContact O-CG 3.43Å; L173-F177 PolarHBondContact O-N 2.96Å; Y174-F177 PolarHBondContact O-N 3.37Å; N175-F177 PolarHBondContact O-N 3.3Å; F177-S180 PolarHBondContact O-N 3.36Å; F177-Q181 PolarHBondContact O-N 3.46Å; F177-V189 HydrophobicContact CD1-CB 4.37Å; F177-V189 HydrophobicContact CD1-CG1 4.29Å; F177-V189 HydrophobicContact CE1-CB 4.02Å; F177-V189 HydrophobicContact CE1-CG1 3.66Å; F177-V189 HydrophobicContact CZ-CG1 4.4Å; F177-V206 HydrophobicContact CD2-CG1 3.63Å; F177-V206 HydrophobicContact CE2-CG1 3.91Å; F177-R209 HydrophobicContact CB-CB 3.84Å; F177-F210 AromaticContact CE1-CD2 3.98Å; F177-F210 HydrophobicContact CE1-CD2 3.98Å; F177-F210 HydrophobicContact CE2-CB 4.48Å; F177-F210 AromaticContact CZ-CD2 3.99Å; F177-F210 HydrophobicContact CZ-CD2 3.99Å
178D90.9Very high88.3Confident55 Ų5538.9 Ų38.929%0.29420%0.202SC..Hα-helixtrans-63.6-45.3174.4-165.764000110.8Y174 N175 S180 Q181 S182 R209Y174-D178 VanDerWaalsContact O-CB 3.22Å; Y174-D178 WeakPolarHBondContact O-CB 3.34Å; Y174-D178 PolarHBondContact O-N 3.26Å; N175-D178 PolarHBondContact O-N 2.92Å; D178-S180 PolarHBondContact O-N 2.88Å; D178-Q181 PolarHBondContact O-N 2.95Å; D178-Q181 VanDerWaalsContact O-N 3.16Å; D178-S182 PolarHBondContact O-N 2.83Å; D178-R209 IonicContact OD1-CZ 2.75Å; D178-R209 IonicContact OD1-NE 3.63Å; D178-R209 PolarHBondContact OD1-NE 3.39Å; D178-R209 IonicContact OD1-NH2 3.65Å; D178-R209 PolarHBondContact OD1-NH2 3.35Å
179I87.2Confident88.5Confident13 Ų1330.8 Ų30.87%0.06717%0.167CC..Hα-helixtrans-63.9-44.7175.9-63.2162.8000110.4L136 L140 N175 Q181 S182 A183 T185 I187L136-I179 HydrophobicContact CD2-CD1 3.52Å; L136-I179 HydrophobicContact CG-CD1 3.87Å; L140-I179 HydrophobicContact CD1-CD1 3.77Å; L140-I179 HydrophobicContact CD1-CG2 4.02Å; N175-I179 WeakPolarHBondContact O-CB 3.4Å; N175-I179 WeakPolarHBondContact O-CD1 3.23Å; N175-I179 WeakPolarHBondContact O-CG1 3.39Å; N175-I179 PolarHBondContact O-N 3.29Å; I179-Q181 PolarHBondContact O-N 3.02Å; I179-S182 PolarHBondContact O-N 3.43Å; I179-S182 PolarHBondContact O-OG 3.45Å; I179-A183 PolarHBondContact O-N 2.95Å; I179-T185 WeakPolarHBondContact CG2-OG1 3.43Å; I179-I187 HydrophobicContact CB-CD1 4.35Å; I179-I187 HydrophobicContact CG2-CD1 3.46Å; I179-I187 VanDerWaalsContact CG2-CD1 3.46Å
180S87.8Confident88.8Confident9 Ų926.4 Ų26.46%0.06314%0.144CC..Hα-helixtrans-58.4-30175.5174.50000113.2S60 L176 F177 D178S60-S180 WeakPolarHBondContact CB-O 3.43Å; L176-S180 WeakPolarHBondContact O-CB 3.2Å; L176-S180 PolarHBondContact O-N 3.35Å; F177-S180 PolarHBondContact O-N 3.36Å; D178-S180 PolarHBondContact O-N 2.88Å
181Q85.7Confident88.9Confident112 Ų11226 Ų2652%0.52314%0.142SC..Hα-helixtrans-83.4-36.4175.8-76.1-143.4-14.800113.1F177 D178 I179 A183 R209F177-Q181 PolarHBondContact O-N 3.46Å; D178-Q181 PolarHBondContact O-N 2.95Å; D178-Q181 VanDerWaalsContact O-N 3.16Å; I179-Q181 PolarHBondContact O-N 3.02Å; Q181-A183 PolarHBondContact O-N 2.88Å; Q181-A183 VanDerWaalsContact O-N 3.16Å; Q181-R209 HydrophobicContact CG-CB 4.43Å; Q181-R209 WeakPolarHBondContact CG-O 3.48Å; Q181-R209 PolarHBondContact NE2-O 3.49Å
182S78.1Confident89.1Confident56 Ų5624.1 Ų24.139%0.39213%0.13SC..Hα-helixtrans-65-16.3-17973.50000113.7D178 I179 Q184D178-S182 PolarHBondContact O-N 2.83Å; I179-S182 PolarHBondContact O-N 3.43Å; I179-S182 PolarHBondContact O-OG 3.45Å; S182-Q184 PolarHBondContact O-N 3.44Å
183A65.4Low89.3Confident46 Ų4624.2 Ų24.238%0.3813%0.131SC..  trans54.621.4175.600000115.2I179 Q181I179-A183 PolarHBondContact O-N 2.95Å; Q181-A183 PolarHBondContact O-N 2.88Å; Q181-A183 VanDerWaalsContact O-N 3.16Å
184Q70.9Confident89.3Confident122 Ų12225.8 Ų25.857%0.5714%0.142SC*.SBendtrans-79.8-28.9179.2-61.9-174.4-2.700112.8K144 S182K144-Q184 WeakPolarHBondContact CE-O 3.23Å; K144-Q184 PolarHBondContact NZ-O 3.27Å; S182-Q184 PolarHBondContact O-N 3.44Å
185T79.3Confident89.3Confident13 Ų1327.2 Ų27.28%0.0815%0.146CC..SBendtrans-131.9127.5179.446.10000108.2S60 L140 K144 I179 I187S60-T185 PolarHBondContact OG-O 3.3Å; L140-T185 HydrophobicContact CB-CG2 4.01Å; K144-T185 HydrophobicContact CD-CG2 4.1Å; K144-T185 HydrophobicContact CG-CG2 4.16Å; I179-T185 WeakPolarHBondContact CG2-OG1 3.43Å; T185-I187 PolarHBondContact O-N 3.36Å; T185-I187 VanDerWaalsContact O-N 3.09Å
186P88.6Confident89.4Confident6 Ų632.2 Ų32.24%0.03917%0.173CC..  trans-63.3111177.7-23.434.8000111.7S151 P153 V154S151-P186 WeakPolarHBondContact OG-CD 3.48Å; S151-P186 WeakPolarHBondContact OG-CG 3.43Å; P153-P186 WeakPolarHBondContact CA-O 3.38Å; P153-P186 HydrophobicContact CB-CB 3.93Å; V154-P186 PolarHBondContact N-O 3.22Å
187I91.1Very high89.5Confident0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-132133.8-179.8-64-179.1000111.3S60 N61 L140 V154 F156 I179 T185 V189S60-I187 CarbonylContact C-O 3.49Å; S60-I187 WeakPolarHBondContact CA-O 3.5Å; S60-I187 PolarHBondContact OG-N 3Å; S60-I187 VanDerWaalsContact OG-N 3.16Å; N61-I187 PolarHBondContact N-O 3.41Å; L140-I187 HydrophobicContact CD1-CD1 3.61Å; L140-I187 HydrophobicContact CD2-CD1 3.91Å; L140-I187 HydrophobicContact CG-CD1 4.41Å; V154-I187 WeakPolarHBondContact O-CA 3.39Å; F156-I187 HydrophobicContact CD2-CG2 3.59Å; F156-I187 HydrophobicContact CE2-CD1 4.22Å; F156-I187 HydrophobicContact CE2-CG2 3.87Å; I179-I187 HydrophobicContact CB-CD1 4.35Å; I179-I187 HydrophobicContact CG2-CD1 3.46Å; I179-I187 VanDerWaalsContact CG2-CD1 3.46Å; T185-I187 PolarHBondContact O-N 3.36Å; T185-I187 VanDerWaalsContact O-N 3.09Å; I187-V189 HydrophobicContact CG2-CG2 3.81Å
188A94.1Very high89.6Confident0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-105.9124164.400000110.3T54 N61 V154 I155 F156T54-A188 HydrophobicContact CG2-CB 3.82Å; N61-A188 CarbonylContact O-C 3.54Å; N61-A188 VanDerWaalsContact O-CA 3.24Å; N61-A188 WeakPolarHBondContact O-CA 3.44Å; V154-A188 PolarHBondContact O-N 2.69Å; I155-A188 CarbonylContact C-O 3.6Å; I155-A188 HydrophobicContact CB-CB 4.47Å; I155-A188 HydrophobicContact CG1-CB 4.22Å; I155-A188 HydrophobicContact CG2-CB 4.2Å; F156-A188 PolarHBondContact N-O 3.28Å
189V96.3Very high89.8Confident2 Ų233.8 Ų33.81%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-109.6109.3174.2-172.30000109.5N61 S62 V63 L158 L176 F177 I187N61-V189 PolarHBondContact O-N 2.8Å; S62-V189 CarbonylContact C-O 3.5Å; S62-V189 VanDerWaalsContact CA-O 3.28Å; S62-V189 WeakPolarHBondContact CA-O 3.48Å; V63-V189 PolarHBondContact N-O 3.37Å; L158-V189 HydrophobicContact CD1-CG1 4.02Å; L176-V189 HydrophobicContact CB-CG2 4.13Å; F177-V189 HydrophobicContact CD1-CB 4.37Å; F177-V189 HydrophobicContact CD1-CG1 4.29Å; F177-V189 HydrophobicContact CE1-CB 4.02Å; F177-V189 HydrophobicContact CE1-CG1 3.66Å; F177-V189 HydrophobicContact CZ-CG1 4.4Å; I187-V189 HydrophobicContact CG2-CG2 3.81Å
190I97.6Very high90.1Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-111.9111-177.5-54.8170.6000108.7L47 L51 V63 I65 I77 I155 F156 I157 L158L47-I190 HydrophobicContact CD1-CD1 4.46Å; L51-I190 HydrophobicContact CD2-CD1 3.71Å; L51-I190 HydrophobicContact CG-CD1 4.48Å; V63-I190 HydrophobicContact CG1-CB 4.21Å; V63-I190 HydrophobicContact CG1-CG1 3.79Å; V63-I190 HydrophobicContact CG1-CG2 4.06Å; V63-I190 WeakPolarHBondContact O-CA 3.4Å; I65-I190 HydrophobicContact CD1-CG2 4.17Å; I65-I190 HydrophobicContact CG1-CG2 4.35Å; I77-I190 HydrophobicContact CD1-CG2 3.49Å; I77-I190 VanDerWaalsContact CD1-CG2 3.49Å; I77-I190 HydrophobicContact CG1-CG2 4.35Å; I155-I190 HydrophobicContact CG2-CD1 3.89Å; F156-I190 PolarHBondContact O-N 3.03Å; I157-I190 WeakPolarHBondContact CA-O 3.41Å; I157-I190 HydrophobicContact CG1-CD1 4.46Å; L158-I190 PolarHBondContact N-O 2.81Å
191G97.5Very high90.5Very high1 Ų142.3 Ų42.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-98.7134.9174.600000112.1V63 L64 I65V63-G191 PolarHBondContact O-N 3.01Å; L64-G191 WeakPolarHBondContact CA-O 3.49Å; I65-G191 PolarHBondContact N-O 2.76Å
192L97.8Very high91Very high2 Ų237.4 Ų37.41%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-106.9127.1171.5-61.9176.5000109.9I65 K73 I77 L158 D159 E160 F161I65-L192 HydrophobicContact CB-CD2 3.69Å; I65-L192 HydrophobicContact CD1-CD2 4.02Å; I65-L192 HydrophobicContact CG1-CD2 4.21Å; I65-L192 HydrophobicContact CG2-CD2 4.14Å; K73-L192 HydrophobicContact CB-CD2 3.88Å; I77-L192 HydrophobicContact CD1-CD1 3.87Å; I77-L192 HydrophobicContact CD1-CD2 3.25Å; I77-L192 HydrophobicContact CD1-CG 3.68Å; I77-L192 HydrophobicContact CG1-CD2 4.23Å; L158-L192 PolarHBondContact O-N 3.01Å; D159-L192 HydrophobicContact CB-CD1 4.3Å; D159-L192 WeakPolarHBondContact OD1-CD1 3.42Å; E160-L192 PolarHBondContact N-O 2.84Å; F161-L192 VanDerWaalsContact CB-O 3.27Å; F161-L192 WeakPolarHBondContact CB-O 3.38Å; F161-L192 PolarHBondContact N-O 3.44Å
193T97.2Very high91.8Very high1 Ų138 Ų381%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-145.7158.3173.4-176.50000112I65 I66 G67 K73 D162 R195 I198I65-T193 PolarHBondContact O-N 3.28Å; I65-T193 VanDerWaalsContact O-N 3.11Å; I66-T193 HydrophobicContact CG1-CG2 3.95Å; G67-T193 PolarHBondContact N-O 3.4Å; K73-T193 WeakPolarHBondContact CD-O 3.29Å; K73-T193 WeakPolarHBondContact CE-O 3.38Å; D162-T193 PolarHBondContact OD1-OG1 3.08Å; T193-R195 PolarHBondContact OG1-N 3.48Å; T193-I198 HydrophobicContact CG2-CB 4.07Å; T193-I198 HydrophobicContact CG2-CG1 4.1Å; T193-I198 HydrophobicContact CG2-CG2 4.06Å
194C96Very high93.2Very high35 Ų3545 Ų4524%0.23622%0.217CC..SBendtrans-98.3-6.8166.159.60000114.6G67 R69G67-C194 VanDerWaalsContact O-CA 3.23Å; G67-C194 WeakPolarHBondContact O-CA 3.43Å; G67-C194 WeakPolarHBondContact O-CB 3.47Å; R69-C194 HydrophobicContact CG-CB 3.95Å
195R95.6Very high94.3Very high83 Ų8343.5 Ų43.531%0.31321%0.206SC..  trans-83.2129.4179.2-71.8-164.574.7156.11.8111.3D162 T193 D197D162-R195 HydrophobicContact CB-CG 4.27Å; T193-R195 PolarHBondContact OG1-N 3.48Å; R195-D197 WeakPolarHBondContact CB-OD1 3.23Å; R195-D197 IonicContact CZ-OD1 3.52Å; R195-D197 IonicContact CZ-OD2 3.63Å; R195-D197 IonicContact NE-OD1 2.67Å; R195-D197 PolarHBondContact NE-OD1 2.93Å; R195-D197 IonicContact NE-OD2 3.51Å; R195-D197 IonicContact NH2-OD1 3.86Å; R195-D197 IonicContact NH2-OD2 3.79Å; R195-D197 PolarHBondContact NH2-OD2 3.3Å
196L94Very high95.1Very high120 Ų12042.9 Ų42.963%0.62820%0.202SC*.THydrogen-bonded Turntrans-78.4-31.7176.4-57.5-178000111.6I66 I198 M218I66-L196 HydrophobicContact CG2-CD2 3.69Å; L196-I198 PolarHBondContact O-N 3.47Å; L196-M218 HydrophobicContact CD2-CE 3.78Å
197D95.1Very high95.3Very high56 Ų5646 Ų4630%0.29922%0.215SC..THydrogen-bonded Turntrans-84.416.6-179.862.1-26.5000113.3R195 L199 E200R195-D197 WeakPolarHBondContact CB-OD1 3.23Å; R195-D197 IonicContact CZ-OD1 3.52Å; R195-D197 IonicContact CZ-OD2 3.63Å; R195-D197 IonicContact NE-OD1 2.67Å; R195-D197 PolarHBondContact NE-OD1 2.93Å; R195-D197 IonicContact NE-OD2 3.51Å; R195-D197 IonicContact NH2-OD1 3.86Å; R195-D197 IonicContact NH2-OD2 3.79Å; R195-D197 PolarHBondContact NH2-OD2 3.3Å; D197-L199 PolarHBondContact O-N 2.99Å; D197-L199 VanDerWaalsContact O-N 3.11Å; D197-E200 WeakPolarHBondContact O-CB 3.33Å; D197-E200 PolarHBondContact O-N 3.27Å
198I95.7Very high95.4Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-57.4-32.7-174.7-173.152.2000113.5L64 I66 F161 D162 A165 T193 L196 E200 L201L64-I198 HydrophobicContact CD1-CG2 4.15Å; I66-I198 HydrophobicContact CD1-CG2 3.82Å; I66-I198 HydrophobicContact CG1-CG2 4.4Å; F161-I198 HydrophobicContact CD1-CD1 3.75Å; F161-I198 HydrophobicContact CD1-CG1 3.68Å; F161-I198 HydrophobicContact CE1-CD1 4.05Å; F161-I198 HydrophobicContact CE1-CG1 3.9Å; D162-I198 HydrophobicContact CB-CD1 3.83Å; A165-I198 HydrophobicContact CB-CD1 4.4Å; T193-I198 HydrophobicContact CG2-CB 4.07Å; T193-I198 HydrophobicContact CG2-CG1 4.1Å; T193-I198 HydrophobicContact CG2-CG2 4.06Å; L196-I198 PolarHBondContact O-N 3.47Å; I198-E200 PolarHBondContact O-N 3.35Å; I198-L201 HydrophobicContact CD1-CB 4.42Å; I198-L201 HydrophobicContact CD1-CD1 3.93Å; I198-L201 PolarHBondContact O-N 2.96Å
199L94.1Very high95.3Very high33 Ų3352.9 Ų52.917%0.17325%0.253CS..Hα-helixtrans-70.1-14.9177.7-69.2-171.3000114L64 D197 L202 K207 F210 Q214L64-L199 HydrophobicContact CD1-CD2 4.15Å; D197-L199 PolarHBondContact O-N 2.99Å; D197-L199 VanDerWaalsContact O-N 3.11Å; L199-L202 HydrophobicContact CD2-CD1 4.13Å; L199-K207 WeakPolarHBondContact O-CD 3.43Å; L199-K207 WeakPolarHBondContact O-CE 3.4Å; L199-K207 PolarHBondContact O-NZ 3.47Å; L199-F210 HydrophobicContact CD2-CD1 3.89Å; L199-F210 HydrophobicContact CD2-CE1 3.84Å; L199-Q214 VanDerWaalsContact CG-NE2 3.26Å
200E94.8Very high95.1Very high155 Ų15552.9 Ų52.972%0.72425%0.253SS*.Hα-helixtrans-86.5-26.2176.3-60-178.9-175.200111.3D197 I198 L202D197-E200 WeakPolarHBondContact O-CB 3.33Å; D197-E200 PolarHBondContact O-N 3.27Å; I198-E200 PolarHBondContact O-N 3.35Å; E200-L202 VanDerWaalsContact C-N 3.3Å
201L95.5Very high94.6Very high45 Ų4555 Ų5524%0.23627%0.268CS..Hα-helixtrans-72.3-25.2174.5-59.4179.4000112.3D162 A165 Q170 I198D162-L201 HydrophobicContact CB-CD1 4.29Å; A165-L201 HydrophobicContact CB-CB 4.02Å; Q170-L201 PolarHBondContact NE2-O 3.44Å; I198-L201 HydrophobicContact CD1-CB 4.42Å; I198-L201 HydrophobicContact CD1-CD1 3.93Å; I198-L201 PolarHBondContact O-N 2.96Å
202L95.9Very high94.1Very high9 Ų959.9 Ų59.95%0.04729%0.291CS..SBendtrans-72.8130.8179.4-62-178.7000111.5F161 A165 L173 L199 E200 V206 K207F161-L202 HydrophobicContact CE1-CD2 4.07Å; F161-L202 HydrophobicContact CZ-CD2 4.27Å; A165-L202 HydrophobicContact CB-CD2 4.31Å; L173-L202 HydrophobicContact CD1-CD2 3.96Å; L199-L202 HydrophobicContact CD2-CD1 4.13Å; E200-L202 VanDerWaalsContact C-N 3.3Å; L202-V206 HydrophobicContact CD2-CG1 4.15Å; L202-K207 HydrophobicContact CB-CB 4.09Å
203E95.7Very high93.9Very high69 Ų6964 Ų6432%0.32231%0.306SS..  trans-58.8149.2171.1-71.8-179.4-161.900110.8N169 R205 V206 K207N169-E203 WeakPolarHBondContact CA-OE1 3.49Å; E203-R205 HydrophobicContact CB-CG 4.31Å; E203-R205 PolarHBondContact O-N 3.11Å; E203-R205 IonicContact OE1-NH2 3.22Å; E203-R205 IonicContact OE2-CZ 2.71Å; E203-R205 VanDerWaalsContact OE2-CZ 3.24Å; E203-R205 IonicContact OE2-NE 3.24Å; E203-R205 PolarHBondContact OE2-NE 2.86Å; E203-R205 IonicContact OE2-NH2 3.42Å; E203-R205 PolarHBondContact OE2-NH2 3.01Å; E203-V206 HydrophobicContact CB-CG2 4.2Å; E203-V206 PolarHBondContact O-N 3.34Å; E203-K207 WeakPolarHBondContact O-CB 3.45Å; E203-K207 PolarHBondContact O-N 3.25Å
204K94.6Very high93.8Very high193 Ų19366.9 Ų66.984%0.83932%0.319SS*.Hα-helixtrans-50-41-178.3-67.4-176.8179.3179.60113.1S208K204-S208 WeakPolarHBondContact O-CB 3.27Å; K204-S208 PolarHBondContact O-N 2.84Å
205R94.4Very high93.7Very high91 Ų9165.5 Ų65.534%0.34331%0.309SS..Hα-helixtrans-69.7-29.3-179.865.4178172.5117.82.9114.2N169 Y174 E203 R209N169-R205 PolarHBondContact O-NH2 3.04Å; Y174-R205 HydrophobicContact CD2-CB 4.45Å; Y174-R205 HydrophobicContact CD2-CG 3.97Å; Y174-R205 HydrophobicContact CE2-CB 4.18Å; Y174-R205 HydrophobicContact CE2-CG 4.1Å; E203-R205 HydrophobicContact CB-CG 4.31Å; E203-R205 PolarHBondContact O-N 3.11Å; E203-R205 IonicContact OE1-NH2 3.22Å; E203-R205 IonicContact OE2-CZ 2.71Å; E203-R205 VanDerWaalsContact OE2-CZ 3.24Å; E203-R205 IonicContact OE2-NE 3.24Å; E203-R205 PolarHBondContact OE2-NE 2.86Å; E203-R205 IonicContact OE2-NH2 3.42Å; E203-R205 PolarHBondContact OE2-NH2 3.01Å; R205-R209 WeakPolarHBondContact O-CD 3.4Å; R205-R209 PolarHBondContact O-NH1 2.75Å; R205-R209 VanDerWaalsContact O-NH1 3.1Å
206V94.9Very high93.7Very high0 Ų065.4 Ų65.40%031%0.312CS..Hα-helixtrans-81.8-47.7177.5-178.10000109.1Q170 L173 Y174 F177 L202 E203 S208 R209 F210Q170-V206 HydrophobicContact CB-CG2 4.15Å; L173-V206 HydrophobicContact CB-CG1 4Å; Y174-V206 HydrophobicContact CD2-CG2 4.15Å; F177-V206 HydrophobicContact CD2-CG1 3.63Å; F177-V206 HydrophobicContact CE2-CG1 3.91Å; L202-V206 HydrophobicContact CD2-CG1 4.15Å; E203-V206 HydrophobicContact CB-CG2 4.2Å; E203-V206 PolarHBondContact O-N 3.34Å; V206-S208 VanDerWaalsContact C-N 3.3Å; V206-S208 PolarHBondContact O-N 3.27Å; V206-R209 PolarHBondContact O-N 3.43Å; V206-F210 PolarHBondContact O-N 3.48Å
207K93.9Very high93.6Very high71 Ų7159.8 Ų59.831%0.30928%0.283SS..Hα-helixtrans-56.2-42.7177.3-172.2174.9-173.6160.10112.3L199 L202 E203 R209 F210 H212L199-K207 WeakPolarHBondContact O-CD 3.43Å; L199-K207 WeakPolarHBondContact O-CE 3.4Å; L199-K207 PolarHBondContact O-NZ 3.47Å; L202-K207 HydrophobicContact CB-CB 4.09Å; E203-K207 WeakPolarHBondContact O-CB 3.45Å; E203-K207 PolarHBondContact O-N 3.25Å; K207-R209 PolarHBondContact O-N 3.33Å; K207-F210 PolarHBondContact O-N 2.85Å; K207-H212 PolarHBondContact O-NE2 2.89Å
208S93.3Very high93.2Very high83 Ų8361.3 Ų61.358%0.5829%0.289SS*.THydrogen-bonded Turntrans-62.2-24.5177.4-176.30000114K204 V206K204-S208 WeakPolarHBondContact O-CB 3.27Å; K204-S208 PolarHBondContact O-N 2.84Å; V206-S208 VanDerWaalsContact C-N 3.3Å; V206-S208 PolarHBondContact O-N 3.27Å
209R92.1Very high92.6Very high61 Ų6163.1 Ų63.123%0.2330%0.299CS..THydrogen-bonded Turntrans-92.5-18.2-179.1-72.2169.5165.665.57.4112.8Y174 F177 D178 Q181 R205 V206 K207Y174-R209 PolarHBondContact OH-NH2 3.4Å; Y174-R209 VanDerWaalsContact OH-NH2 3.14Å; F177-R209 HydrophobicContact CB-CB 3.84Å; D178-R209 IonicContact OD1-CZ 2.75Å; D178-R209 IonicContact OD1-NE 3.63Å; D178-R209 PolarHBondContact OD1-NE 3.39Å; D178-R209 IonicContact OD1-NH2 3.65Å; D178-R209 PolarHBondContact OD1-NH2 3.35Å; Q181-R209 HydrophobicContact CG-CB 4.43Å; Q181-R209 WeakPolarHBondContact CG-O 3.48Å; Q181-R209 PolarHBondContact NE2-O 3.49Å; R205-R209 WeakPolarHBondContact O-CD 3.4Å; R205-R209 PolarHBondContact O-NH1 2.75Å; R205-R209 VanDerWaalsContact O-NH1 3.1Å; V206-R209 PolarHBondContact O-N 3.43Å; K207-R209 PolarHBondContact O-N 3.33Å
210F91.7Very high92Very high2 Ų266.2 Ų66.21%0.00932%0.323CS..SBendtrans-69.8139.5175.5176.1-122000110.7L64 F177 L199 V206 K207 H212 R213L64-F210 HydrophobicContact CB-CZ 4.03Å; L64-F210 HydrophobicContact CD1-CE1 3.84Å; L64-F210 HydrophobicContact CD1-CE2 4.18Å; L64-F210 HydrophobicContact CD1-CZ 3.64Å; L64-F210 HydrophobicContact CG-CE1 4.22Å; L64-F210 HydrophobicContact CG-CE2 3.79Å; L64-F210 HydrophobicContact CG-CZ 3.49Å; L64-F210 VanDerWaalsContact CG-CZ 3.49Å; F177-F210 AromaticContact CE1-CD2 3.98Å; F177-F210 HydrophobicContact CE1-CD2 3.98Å; F177-F210 HydrophobicContact CE2-CB 4.48Å; F177-F210 AromaticContact CZ-CD2 3.99Å; F177-F210 HydrophobicContact CZ-CD2 3.99Å; L199-F210 HydrophobicContact CD2-CD1 3.89Å; L199-F210 HydrophobicContact CD2-CE1 3.84Å; V206-F210 PolarHBondContact O-N 3.48Å; K207-F210 PolarHBondContact O-N 2.85Å; F210-H212 PolarHBondContact O-CD2 3.08Å; F210-H212 PolarHBondContact O-N 3.48Å; F210-R213 WeakPolarHBondContact CZ-O 3.41Å
211S86.1Confident91.7Very high44 Ų4459.9 Ų59.931%0.30829%0.293SS..  trans-68.1-2.5-177.772.20000114.6S62 R213S62-S211 PolarHBondContact O-OG 2.87Å; S62-S211 VanDerWaalsContact OG-CB 3.3Å; S62-S211 WeakPolarHBondContact OG-CB 3.47Å; S62-S211 PolarHBondContact OG-N 3.41Å; S62-S211 VanDerWaalsContact OG-N 3.12Å; S62-S211 PolarHBondContact OG-OG 3.23Å; S211-R213 PolarHBondContact O-N 3.46Å; S211-R213 VanDerWaalsContact O-N 3.13Å; S211-R213 WeakPolarHBondContact OG-CG 3.37Å; S211-R213 PolarHBondContact OG-N 3.49Å
212H88.3Confident91.6Very high105 Ų10559.5 Ų59.549%0.48630%0.301SS..  trans58.616.2-173.6-66.7-85.2000115.1K207 F210 Q214K207-H212 PolarHBondContact O-NE2 2.89Å; F210-H212 PolarHBondContact O-CD2 3.08Å; F210-H212 PolarHBondContact O-N 3.48Å; H212-Q214 PolarHBondContact O-N 3Å
213R92.9Very high91.6Very high88 Ų8861 Ų6133%0.33231%0.307SS..  trans-81.6116176.6-65-176-173.4166.58.6111.5N61 V63 L64 F210 S211N61-R213 PolarHBondContact OD1-NH1 3.03Å; V63-R213 HydrophobicContact CG2-CB 4.37Å; L64-R213 PolarHBondContact N-O 3Å; F210-R213 WeakPolarHBondContact CZ-O 3.41Å; S211-R213 PolarHBondContact O-N 3.46Å; S211-R213 VanDerWaalsContact O-N 3.13Å; S211-R213 WeakPolarHBondContact OG-CG 3.37Å; S211-R213 PolarHBondContact OG-N 3.49Å
214Q94.7Very high91.5Very high62 Ų6262.7 Ų62.729%0.2932%0.324SS..EExtended strand (participates in β ladder)trans-117.6133.4177.8-63.1-175.2-21.900111L64 I66 L199 H212 H216L64-Q214 WeakPolarHBondContact O-CA 3.45Å; I66-Q214 HydrophobicContact CD1-CB 4.37Å; I66-Q214 HydrophobicContact CD1-CG 4.09Å; L199-Q214 VanDerWaalsContact CG-NE2 3.26Å; H212-Q214 PolarHBondContact O-N 3Å; Q214-H216 PolarHBondContact OE1-CE1 3.34Å; Q214-H216 PolarHBondContact OE1-NE2 3.17Å
215I95.5Very high91.4Very high5 Ų556.7 Ų56.73%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-112.2109171.5-61.4-179.7000107.4Q43 H46 L47 V63 L64 I65 I66Q43-I215 HydrophobicContact CB-CG2 3.6Å; Q43-I215 HydrophobicContact CG-CG2 3.61Å; H46-I215 HydrophobicContact CB-CD1 4.46Å; L47-I215 HydrophobicContact CB-CD1 4.03Å; L47-I215 HydrophobicContact CD1-CD1 4.41Å; V63-I215 HydrophobicContact CG2-CD1 3.74Å; V63-I215 HydrophobicContact CG2-CG1 3.8Å; L64-I215 PolarHBondContact O-N 3.44Å; I65-I215 WeakPolarHBondContact CA-O 3.22Å; I65-I215 HydrophobicContact CG1-CB 4.37Å; I66-I215 PolarHBondContact N-O 2.95Å
216H94.7Very high91.5Very high81 Ų8152.4 Ų52.438%0.37528%0.283SS..EExtended strand (participates in β ladder)trans-88120177.2-62.2-68.8000111.2Q43 I66 Q214 M218Q43-H216 PolarHBondContact NE2-O 3.45Å; I66-H216 CarbonylContact O-C 3.54Å; I66-H216 WeakPolarHBondContact O-CA 3.43Å; Q214-H216 PolarHBondContact OE1-CE1 3.34Å; Q214-H216 PolarHBondContact OE1-NE2 3.17Å; H216-M218 HydrophobicContact CB-CE 4.35Å; H216-M218 HydrophobicContact CB-CG 4.33Å
217L91.7Very high91.5Very high3 Ų353.3 Ų53.32%0.01629%0.288CS..  trans-101.480.6172.3-77.5168.7000109.2V40 Q43 I65 I66 G67 P68 K73 L76V40-L217 HydrophobicContact CB-CD2 3.94Å; V40-L217 HydrophobicContact CG1-CD2 3.37Å; Q43-L217 HydrophobicContact CB-CD2 4.15Å; Q43-L217 HydrophobicContact CG-CD2 4.06Å; I65-L217 HydrophobicContact CG2-CD1 3.34Å; I65-L217 HydrophobicContact CG2-CG 4.09Å; I66-L217 PolarHBondContact O-N 3.49Å; G67-L217 WeakPolarHBondContact CA-O 3.35Å; P68-L217 WeakPolarHBondContact CD-O 3.37Å; K73-L217 HydrophobicContact CB-CD1 4.22Å; K73-L217 HydrophobicContact CG-CD1 3.86Å; L76-L217 HydrophobicContact CB-CD1 4.47Å; L76-L217 HydrophobicContact CD2-CD1 3.9Å; L76-L217 HydrophobicContact CD2-CD2 4.16Å; L76-L217 HydrophobicContact CD2-CG 4.4Å
218M86.6Confident91.5Very high87 Ų8755.1 Ų55.143%0.42930%0.296SS..  trans-96.1142.4174.5-58-58.7-176.600110L196 H216 S220L196-M218 HydrophobicContact CD2-CE 3.78Å; H216-M218 HydrophobicContact CB-CE 4.35Å; H216-M218 HydrophobicContact CB-CG 4.33Å; M218-S220 VanDerWaalsContact C-N 3.28Å; M218-S220 PolarHBondContact O-N 3.31Å
219N83.9Confident91.5Very high38 Ų3851.1 Ų51.120%0.20327%0.268CS..  trans-76.879.5178-62-15.6000109.7F221 K274N219-F221 VanDerWaalsContact C-N 3.3Å; N219-F221 HydrophobicContact CB-CD1 4.35Å; N219-F221 HydrophobicContact CB-CE1 3.79Å; N219-F221 HydrophobicContact CB-CZ 4.27Å; N219-F221 PolarHBondContact O-N 3.43Å; N219-K274 HydrophobicContact CB-CB 4.06Å; N219-K274 PolarHBondContact ND2-O 3.4Å
220S81.9Confident91.7Very high98 Ų9848.2 Ų48.269%0.68526%0.258SS*.  trans-86.411.4-175.157.50000114.6M218M218-S220 VanDerWaalsContact C-N 3.28Å; M218-S220 PolarHBondContact O-N 3.31Å
221F88.1Confident91.8Very high22 Ų2251.2 Ų51.210%0.09627%0.271CS..  trans-87.4145.7-178.557.8-97.6000113.1N219 Q225 Y226 I229 F270 K274 L276N219-F221 VanDerWaalsContact C-N 3.3Å; N219-F221 HydrophobicContact CB-CD1 4.35Å; N219-F221 HydrophobicContact CB-CE1 3.79Å; N219-F221 HydrophobicContact CB-CZ 4.27Å; N219-F221 PolarHBondContact O-N 3.43Å; F221-Q225 HydrophobicContact CB-CB 3.92Å; F221-Q225 HydrophobicContact CB-CG 3.68Å; F221-Q225 HydrophobicContact CG-CG 4.45Å; F221-Y226 HydrophobicContact CD2-CD2 4.46Å; F221-Y226 AromaticContact CE2-CD2 3.61Å; F221-Y226 HydrophobicContact CE2-CD2 3.61Å; F221-Y226 HydrophobicContact CE2-CE2 4.45Å; F221-Y226 HydrophobicContact CE2-CG 4.32Å; F221-Y226 HydrophobicContact CZ-CD2 4.31Å; F221-I229 HydrophobicContact CD1-CD1 4.44Å; F221-I229 HydrophobicContact CD2-CD1 4.28Å; F221-I229 HydrophobicContact CE1-CD1 4.42Å; F221-I229 HydrophobicContact CE2-CD1 4.28Å; F221-I229 HydrophobicContact CG-CD1 4.37Å; F221-I229 HydrophobicContact CZ-CD1 4.33Å; F221-F270 HydrophobicContact CD2-CE2 4.12Å; F221-F270 AromaticContact CE2-CE2 3.96Å; F221-F270 HydrophobicContact CE2-CE2 3.96Å; F221-K274 HydrophobicContact CE2-CB 4.38Å; F221-K274 HydrophobicContact CZ-CB 4.29Å; F221-K274 VanDerWaalsContact CZ-O 3.25Å; F221-K274 WeakPolarHBondContact CZ-O 3.45Å; F221-L276 HydrophobicContact CE1-CD1 3.71Å; F221-L276 HydrophobicContact CZ-CD1 3.7Å
222G92.7Very high92.2Very high38 Ų3852 Ų5239%0.39227%0.269SS..  trans-83.9174173.400000112.9Q225 Y226G222-Q225 PolarHBondContact O-N 3.32Å; G222-Y226 PolarHBondContact O-N 3.45Å; G222-Y226 VanDerWaalsContact O-N 3.07Å
223F95.1Very high92.4Very high39 Ų3947.4 Ų47.417%0.17125%0.248CC..Hα-helixtrans-57.9-41.4178.5-179.1-111.3000114.2Q225 Y226 V227 Q263 L266 Q267 F270F223-Q225 VanDerWaalsContact C-N 3.27Å; F223-Q225 PolarHBondContact O-N 3.06Å; F223-Y226 HydrophobicContact CD2-CD1 4.38Å; F223-Y226 HydrophobicContact CE2-CD1 4.42Å; F223-Y226 WeakPolarHBondContact O-CA 3.45Å; F223-Y226 VanDerWaalsContact O-CB 3.29Å; F223-Y226 WeakPolarHBondContact O-CB 3.46Å; F223-Y226 PolarHBondContact O-N 3.03Å; F223-V227 HydrophobicContact CD1-CG2 4.33Å; F223-V227 HydrophobicContact CD2-CG2 4.49Å; F223-V227 HydrophobicContact CE1-CG2 3.84Å; F223-V227 HydrophobicContact CE2-CG2 4.01Å; F223-V227 HydrophobicContact CZ-CG2 3.67Å; F223-V227 PolarHBondContact O-N 3.16Å; F223-Q263 HydrophobicContact CZ-CB 4.43Å; F223-L266 HydrophobicContact CE2-CB 4.06Å; F223-L266 HydrophobicContact CZ-CB 4.35Å; F223-Q267 VanDerWaalsContact CD1-OE1 3.3Å; F223-Q267 HydrophobicContact CE2-CB 3.97Å; F223-Q267 VanDerWaalsContact CG-OE1 3.26Å; F223-Q267 HydrophobicContact CZ-CB 4.03Å; F223-F270 HydrophobicContact CB-CD1 4.26Å; F223-F270 HydrophobicContact CB-CE1 4.06Å; F223-F270 HydrophobicContact CB-CZ 4.37Å; F223-F270 HydrophobicContact CD2-CB 4.12Å; F223-F270 HydrophobicContact CD2-CD1 4.12Å; F223-F270 HydrophobicContact CD2-CG 4.02Å
224P94.7Very high92.4Very high106 Ų10643.2 Ų43.269%0.68823%0.232SC*.Hα-helixtrans-59.4-38.6177.2-25.435.2000113Y226 V227 K228P224-Y226 VanDerWaalsContact C-N 3.32Å; P224-V227 PolarHBondContact O-N 3.48Å; P224-K228 PolarHBondContact O-N 3.44Å
225Q93.4Very high92.3Very high67 Ų6741.1 Ų41.131%0.31322%0.224SC..Hα-helixtrans-70-32175.7-175.966.217.200111.5F221 G222 F223 K228 I229F221-Q225 HydrophobicContact CB-CB 3.92Å; F221-Q225 HydrophobicContact CB-CG 3.68Å; F221-Q225 HydrophobicContact CG-CG 4.45Å; G222-Q225 PolarHBondContact O-N 3.32Å; F223-Q225 VanDerWaalsContact C-N 3.27Å; F223-Q225 PolarHBondContact O-N 3.06Å; Q225-K228 WeakPolarHBondContact O-CB 3.47Å; Q225-K228 PolarHBondContact O-N 3.47Å; Q225-I229 HydrophobicContact CG-CD1 4.41Å; Q225-I229 VanDerWaalsContact O-CG1 3.25Å; Q225-I229 WeakPolarHBondContact O-CG1 3.39Å; Q225-I229 PolarHBondContact O-N 3.49Å
226Y94.7Very high92.2Very high0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-65.8-41173.6-171.3-111000112.4F221 G222 F223 P224 K228 I229 F230 L266 F270 L279F221-Y226 HydrophobicContact CD2-CD2 4.46Å; F221-Y226 AromaticContact CE2-CD2 3.61Å; F221-Y226 HydrophobicContact CE2-CD2 3.61Å; F221-Y226 HydrophobicContact CE2-CE2 4.45Å; F221-Y226 HydrophobicContact CE2-CG 4.32Å; F221-Y226 HydrophobicContact CZ-CD2 4.31Å; G222-Y226 PolarHBondContact O-N 3.45Å; G222-Y226 VanDerWaalsContact O-N 3.07Å; F223-Y226 HydrophobicContact CD2-CD1 4.38Å; F223-Y226 HydrophobicContact CE2-CD1 4.42Å; F223-Y226 WeakPolarHBondContact O-CA 3.45Å; F223-Y226 VanDerWaalsContact O-CB 3.29Å; F223-Y226 WeakPolarHBondContact O-CB 3.46Å; F223-Y226 PolarHBondContact O-N 3.03Å; P224-Y226 VanDerWaalsContact C-N 3.32Å; Y226-K228 VanDerWaalsContact C-N 3.32Å; Y226-K228 PolarHBondContact O-N 3.07Å; Y226-I229 WeakPolarHBondContact O-CB 3.28Å; Y226-I229 PolarHBondContact O-N 2.93Å; Y226-F230 PolarHBondContact O-N 3.5Å; Y226-L266 HydrophobicContact CE1-CB 4.42Å; Y226-L266 HydrophobicContact CE1-CD2 4.29Å; Y226-F270 HydrophobicContact CD1-CB 4.01Å; Y226-F270 AromaticContact CD1-CD2 3.84Å; Y226-F270 HydrophobicContact CD1-CD2 3.84Å; Y226-F270 HydrophobicContact CD1-CG 4.3Å; Y226-F270 AromaticContact CD2-CD2 3.99Å; Y226-F270 HydrophobicContact CD2-CD2 3.99Å; Y226-F270 HydrophobicContact CE1-CB 3.99Å; Y226-F270 HydrophobicContact CE1-CD2 4.34Å; Y226-F270 HydrophobicContact CE2-CD2 4.45Å; Y226-F270 AromaticContact CG-CD2 3.62Å; Y226-F270 HydrophobicContact CG-CD2 3.62Å; Y226-F270 HydrophobicContact CG-CE2 4.23Å; Y226-F270 HydrophobicContact CG-CG 4.49Å; Y226-L279 HydrophobicContact CD2-CD2 4.48Å; Y226-L279 HydrophobicContact CE1-CD1 4.44Å; Y226-L279 HydrophobicContact CE2-CB 4.27Å; Y226-L279 HydrophobicContact CE2-CD2 3.89Å
227V95.8Very high91.9Very high19 Ų1939.5 Ų39.512%0.11522%0.221CC..Hα-helixtrans-63.4-39.5172.3178.50000110.9F223 P224 I229 F230 K231 L266F223-V227 HydrophobicContact CD1-CG2 4.33Å; F223-V227 HydrophobicContact CD2-CG2 4.49Å; F223-V227 HydrophobicContact CE1-CG2 3.84Å; F223-V227 HydrophobicContact CE2-CG2 4.01Å; F223-V227 HydrophobicContact CZ-CG2 3.67Å; F223-V227 PolarHBondContact O-N 3.16Å; P224-V227 PolarHBondContact O-N 3.48Å; V227-I229 PolarHBondContact O-N 2.79Å; V227-F230 WeakPolarHBondContact O-CB 3.47Å; V227-F230 PolarHBondContact O-N 3.22Å; V227-K231 PolarHBondContact O-N 2.97Å; V227-L266 HydrophobicContact CG2-CD1 4.44Å
228K94.3Very high91.7Very high109 Ų10944 Ų4447%0.47426%0.258SS..Hα-helixtrans-60.9-43.8172.3-173.7175.9179.3175.90111.8P224 Q225 Y226 K231 E232P224-K228 PolarHBondContact O-N 3.44Å; Q225-K228 WeakPolarHBondContact O-CB 3.47Å; Q225-K228 PolarHBondContact O-N 3.47Å; Y226-K228 VanDerWaalsContact C-N 3.32Å; Y226-K228 PolarHBondContact O-N 3.07Å; K228-K231 PolarHBondContact O-N 3.4Å; K228-E232 HydrophobicContact CG-CG 4.26Å; K228-E232 WeakPolarHBondContact O-CB 3.28Å; K228-E232 VanDerWaalsContact O-CG 3.23Å; K228-E232 WeakPolarHBondContact O-CG 3.38Å; K228-E232 PolarHBondContact O-N 3.12Å
229I93.5Very high91.6Very high0 Ų048.8 Ų48.80%028%0.28CS..Hα-helixtrans-60.6-45.9175.5-68.2161.4000110.4F38 F221 Q225 Y226 V227 K231 E232 Q233 L276 L279F38-I229 HydrophobicContact CB-CD1 4.08Å; F38-I229 HydrophobicContact CB-CG1 4.17Å; F38-I229 HydrophobicContact CD1-CD1 4.4Å; F38-I229 HydrophobicContact CD1-CG1 3.57Å; F38-I229 HydrophobicContact CD2-CG1 4.27Å; F38-I229 HydrophobicContact CE1-CG1 3.96Å; F38-I229 HydrophobicContact CE2-CG2 4.47Å; F38-I229 HydrophobicContact CG-CD1 4.17Å; F38-I229 HydrophobicContact CG-CG1 3.73Å; F38-I229 HydrophobicContact CZ-CG1 4.47Å; F221-I229 HydrophobicContact CD1-CD1 4.44Å; F221-I229 HydrophobicContact CD2-CD1 4.28Å; F221-I229 HydrophobicContact CE1-CD1 4.42Å; F221-I229 HydrophobicContact CE2-CD1 4.28Å; F221-I229 HydrophobicContact CG-CD1 4.37Å; F221-I229 HydrophobicContact CZ-CD1 4.33Å; Q225-I229 HydrophobicContact CG-CD1 4.41Å; Q225-I229 VanDerWaalsContact O-CG1 3.25Å; Q225-I229 WeakPolarHBondContact O-CG1 3.39Å; Q225-I229 PolarHBondContact O-N 3.49Å; Y226-I229 WeakPolarHBondContact O-CB 3.28Å; Y226-I229 PolarHBondContact O-N 2.93Å; V227-I229 PolarHBondContact O-N 2.79Å; I229-K231 VanDerWaalsContact C-N 3.31Å; I229-K231 PolarHBondContact O-N 3.29Å; I229-E232 PolarHBondContact O-N 3.11Å; I229-Q233 HydrophobicContact CG2-CG 3.9Å; I229-Q233 WeakPolarHBondContact O-CB 3.49Å; I229-Q233 WeakPolarHBondContact O-CG 3.21Å; I229-Q233 PolarHBondContact O-N 3.36Å; I229-L276 HydrophobicContact CD1-CD2 4.37Å; I229-L276 HydrophobicContact CG2-CD2 3.79Å; I229-L276 HydrophobicContact CG2-CG 4.3Å; I229-L279 HydrophobicContact CG2-CD2 3.93Å
230F95.2Very high91.8Very high0 Ų047.3 Ų47.30%027%0.271CS..Hα-helixtrans-52.6-49.8175.6164.5-92.5000111.6Y226 V227 Q233 L234 V262 L266 L279 L283 L302Y226-F230 PolarHBondContact O-N 3.5Å; V227-F230 WeakPolarHBondContact O-CB 3.47Å; V227-F230 PolarHBondContact O-N 3.22Å; F230-Q233 PolarHBondContact O-N 3.02Å; F230-L234 HydrophobicContact CD1-CD1 4.21Å; F230-L234 HydrophobicContact CD2-CD1 3.77Å; F230-L234 HydrophobicContact CE1-CD1 3.78Å; F230-L234 HydrophobicContact CE2-CD1 3.3Å; F230-L234 HydrophobicContact CG-CD1 4.2Å; F230-L234 HydrophobicContact CZ-CD1 3.29Å; F230-L234 PolarHBondContact O-N 3.44Å; F230-V262 HydrophobicContact CE1-CG1 4.3Å; F230-V262 HydrophobicContact CZ-CG1 4.02Å; F230-L266 HydrophobicContact CB-CD1 4.17Å; F230-L266 HydrophobicContact CD1-CD1 4.02Å; F230-L266 HydrophobicContact CD2-CD1 4.02Å; F230-L266 HydrophobicContact CD2-CD2 3.75Å; F230-L266 HydrophobicContact CD2-CG 4.48Å; F230-L266 HydrophobicContact CE1-CD1 4.42Å; F230-L266 HydrophobicContact CE2-CD1 4.41Å; F230-L266 HydrophobicContact CE2-CD2 4.21Å; F230-L266 HydrophobicContact CG-CD1 3.81Å; F230-L266 HydrophobicContact CG-CD2 4.26Å; F230-L279 HydrophobicContact CB-CD2 4.44Å; F230-L279 HydrophobicContact CD2-CD1 4.25Å; F230-L283 HydrophobicContact CD2-CD2 3.63Å; F230-L283 HydrophobicContact CE2-CD2 3.51Å; F230-L302 HydrophobicContact CE2-CD1 4.27Å; F230-L302 HydrophobicContact CE2-CD2 3.94Å; F230-L302 HydrophobicContact CZ-CD1 3.98Å; F230-L302 HydrophobicContact CZ-CD2 4.48Å
231K94.9Very high92Very high65 Ų6547.1 Ų47.128%0.28327%0.268SS..Hα-helixtrans-59.5-55176.8-179.7-170.5172.5-179.30111.5V227 K228 I229 Q233 L234 S235 V253V227-K231 PolarHBondContact O-N 2.97Å; K228-K231 PolarHBondContact O-N 3.4Å; I229-K231 VanDerWaalsContact C-N 3.31Å; I229-K231 PolarHBondContact O-N 3.29Å; K231-Q233 VanDerWaalsContact C-N 3.27Å; K231-Q233 PolarHBondContact O-N 2.99Å; K231-L234 PolarHBondContact O-N 2.93Å; K231-L234 VanDerWaalsContact O-N 3.15Å; K231-S235 PolarHBondContact O-N 3.11Å; K231-S235 PolarHBondContact O-OG 3.28Å; K231-V253 HydrophobicContact CG-CG1 4.11Å
232E92.9Very high92Very high60 Ų6048.3 Ų48.328%0.2828%0.275SS..Hα-helixtrans-59.5-36.1-176.8-69.1-71.4162.500112.7N36 F38 K228 I229N36-E232 PolarHBondContact ND2-OE2 3.13Å; F38-E232 HydrophobicContact CE1-CB 4.02Å; F38-E232 HydrophobicContact CE1-CG 4.16Å; F38-E232 HydrophobicContact CZ-CB 3.88Å; K228-E232 HydrophobicContact CG-CG 4.26Å; K228-E232 WeakPolarHBondContact O-CB 3.28Å; K228-E232 VanDerWaalsContact O-CG 3.23Å; K228-E232 WeakPolarHBondContact O-CG 3.38Å; K228-E232 PolarHBondContact O-N 3.12Å; I229-E232 PolarHBondContact O-N 3.11Å
233Q92.2Very high91.9Very high9 Ų953.4 Ų53.44%0.04229%0.287CS..Hα-helixtrans-73.2-29.3179.5-69.4-65.7-9.200113.1R27 F28 F38 I229 F230 K231 L283R27-Q233 WeakPolarHBondContact CD-O 3.43Å; R27-Q233 VanDerWaalsContact CD-OE1 3.31Å; R27-Q233 PolarHBondContact NH1-O 3.43Å; F28-Q233 HydrophobicContact CE1-CB 4.24Å; F28-Q233 WeakPolarHBondContact CE1-O 3.39Å; F38-Q233 VanDerWaalsContact CE2-NE2 3.27Å; I229-Q233 HydrophobicContact CG2-CG 3.9Å; I229-Q233 WeakPolarHBondContact O-CB 3.49Å; I229-Q233 WeakPolarHBondContact O-CG 3.21Å; I229-Q233 PolarHBondContact O-N 3.36Å; F230-Q233 PolarHBondContact O-N 3.02Å; K231-Q233 VanDerWaalsContact C-N 3.27Å; K231-Q233 PolarHBondContact O-N 2.99Å; Q233-L283 HydrophobicContact CB-CD1 3.92Å
234L93.3Very high91.7Very high0 Ų057.8 Ų57.80%031%0.311CS..Hα-helixtrans-87.3-23178-85.2160.5000113.8F230 K231 W249 V253 L283 M297F230-L234 HydrophobicContact CD1-CD1 4.21Å; F230-L234 HydrophobicContact CD2-CD1 3.77Å; F230-L234 HydrophobicContact CE1-CD1 3.78Å; F230-L234 HydrophobicContact CE2-CD1 3.3Å; F230-L234 HydrophobicContact CG-CD1 4.2Å; F230-L234 HydrophobicContact CZ-CD1 3.29Å; F230-L234 PolarHBondContact O-N 3.44Å; K231-L234 PolarHBondContact O-N 2.93Å; K231-L234 VanDerWaalsContact O-N 3.15Å; L234-W249 PolarHBondContact O-NE1 3.35Å; L234-V253 HydrophobicContact CB-CG1 3.67Å; L234-V253 HydrophobicContact CB-CG2 3.99Å; L234-V253 HydrophobicContact CD1-CG1 4.43Å; L234-L283 HydrophobicContact CD1-CD2 3.53Å; L234-L283 HydrophobicContact CD2-CD2 4.16Å; L234-L283 HydrophobicContact CG-CD1 4.2Å; L234-L283 HydrophobicContact CG-CD2 3.82Å; L234-M297 HydrophobicContact CD2-CE 3.26Å; L234-M297 HydrophobicContact CD2-SD 3.49Å; L234-M297 WeakPolarHBondContact CD2-SD 3.33Å
235S93.5Very high91.4Very high17 Ų1753.1 Ų53.112%0.11928%0.28CS..SBendtrans-67.8143.5-179.1-64.40000112.8R27 K231 N250R27-S235 PolarHBondContact NH1-O 2.85Å; K231-S235 PolarHBondContact O-N 3.11Å; K231-S235 PolarHBondContact O-OG 3.28Å; S235-N250 VanDerWaalsContact CA-OD1 3.28Å; S235-N250 WeakPolarHBondContact CA-OD1 3.26Å; S235-N250 WeakPolarHBondContact CB-OD1 3.31Å
236L92.4Very high91.4Very high8 Ų850.4 Ų50.44%0.04227%0.269CS..PPolyproline II helixtrans-81.4145.5175-67.6171.8000111.3V20 F240 F245 A246 W249 N250V20-L236 HydrophobicContact CB-CD2 4.39Å; V20-L236 HydrophobicContact CG1-CD2 4.23Å; V20-L236 HydrophobicContact CG2-CD1 3.64Å; V20-L236 HydrophobicContact CG2-CD2 3.91Å; V20-L236 HydrophobicContact CG2-CG 4.39Å; L236-F240 HydrophobicContact CD1-CD2 4.49Å; L236-F240 HydrophobicContact CD1-CE2 4.45Å; L236-F240 HydrophobicContact CD2-CD2 4.49Å; L236-F245 HydrophobicContact CD1-CD1 4.5Å; L236-F245 HydrophobicContact CD1-CE1 4.43Å; L236-A246 HydrophobicContact CB-CB 4.33Å; L236-A246 HydrophobicContact CD1-CB 4.31Å; L236-W249 HydrophobicContact CD1-CB 3.9Å; L236-W249 HydrophobicContact CD1-CD2 4.26Å; L236-W249 HydrophobicContact CD1-CG 3.67Å; L236-W249 HydrophobicContact CG-CG 4.09Å; L236-N250 PolarHBondContact N-OD1 2.85Å; L236-N250 PolarHBondContact O-ND2 3.4Å
237P90.1Very high91.3Very high45 Ų4555.8 Ų55.829%0.29229%0.294SS..PPolyproline II helixtrans-70.7159.6178.231.3-35.2000112E239 F240P237-E239 PolarHBondContact O-N 3.4Å; P237-F240 WeakPolarHBondContact O-CB 3.24Å; P237-F240 PolarHBondContact O-N 3.5Å
238A85.6Confident91.2Very high97 Ų9760.6 Ų60.680%0.80231%0.314SS*.THydrogen-bonded Turntrans-66.7-2117900000113.9F240A238-F240 PolarHBondContact O-N 3.22Å
239E85.9Confident91.2Very high188 Ų18855.5 Ų55.588%0.87929%0.291SS*.THydrogen-bonded Turntrans-77.64.1178.3-62.9173.9-169.300113.4P237P237-E239 PolarHBondContact O-N 3.4Å
240F87.8Confident91.3Very high6 Ų657.9 Ų57.93%0.02630%0.304CS..  trans-67.5136.3179.1-166.4-95.3000111.3C16 Q19 V20 I23 L236 P237 A238 D242 F245 A246C16-F240 HydrophobicContact CB-CZ 4.37Å; Q19-F240 HydrophobicContact CB-CE2 3.81Å; Q19-F240 HydrophobicContact CB-CZ 4.14Å; V20-F240 HydrophobicContact CG2-CE2 4.17Å; V20-F240 HydrophobicContact CG2-CZ 4.1Å; I23-F240 HydrophobicContact CD1-CD2 3.74Å; I23-F240 HydrophobicContact CD1-CE2 4Å; L236-F240 HydrophobicContact CD1-CD2 4.49Å; L236-F240 HydrophobicContact CD1-CE2 4.45Å; L236-F240 HydrophobicContact CD2-CD2 4.49Å; P237-F240 WeakPolarHBondContact O-CB 3.24Å; P237-F240 PolarHBondContact O-N 3.5Å; A238-F240 PolarHBondContact O-N 3.22Å; F240-D242 HydrophobicContact CD1-CB 4.39Å; F240-D242 VanDerWaalsContact CD1-O 3.28Å; F240-D242 WeakPolarHBondContact CD1-O 3.41Å; F240-D242 HydrophobicContact CE1-CB 4.08Å; F240-D242 PolarHBondContact O-N 3.07Å; F240-F245 AromaticContact CE1-CD1 3.95Å; F240-F245 HydrophobicContact CE1-CD1 3.95Å; F240-F245 HydrophobicContact CZ-CD1 4.28Å; F240-A246 HydrophobicContact CB-CB 4.16Å; F240-A246 HydrophobicContact CD1-CB 3.91Å; F240-A246 HydrophobicContact CG-CB 4.27Å
241P85.6Confident91.3Very high95 Ų9563.4 Ų63.462%0.61733%0.33SS*.SBendtrans-66.7-37.8-170.223.6-33.1000113.8
242D89.4Confident91.4Very high46 Ų4662.3 Ų62.325%0.24633%0.327CS..  trans-98.594.9174.9-174.8-10.9000111F240 L244 F245 A246F240-D242 HydrophobicContact CD1-CB 4.39Å; F240-D242 VanDerWaalsContact CD1-O 3.28Å; F240-D242 WeakPolarHBondContact CD1-O 3.41Å; F240-D242 HydrophobicContact CE1-CB 4.08Å; F240-D242 PolarHBondContact O-N 3.07Å; D242-L244 VanDerWaalsContact C-N 3.35Å; D242-L244 PolarHBondContact O-N 3.14Å; D242-L244 PolarHBondContact OD1-N 2.79Å; D242-L244 VanDerWaalsContact OD1-N 3.13Å; D242-F245 HydrophobicContact CB-CB 4Å; D242-F245 PolarHBondContact O-N 3.31Å; D242-F245 PolarHBondContact OD1-N 2.79Å; D242-F245 VanDerWaalsContact OD1-N 3.12Å; D242-F245 WeakPolarHBondContact OD2-CB 3.49Å; D242-A246 PolarHBondContact O-N 3.49Å
243K89.6Confident91.5Very high145 Ų14559.5 Ų59.563%0.6331%0.314SS*.Hα-helixtrans-62.2-38.7-178.1-63.7-173.6177.7-1770113.1F245 A246 E247K243-F245 VanDerWaalsContact C-N 3.35Å; K243-F245 PolarHBondContact O-N 2.88Å; K243-A246 PolarHBondContact O-N 3.01Å; K243-E247 WeakPolarHBondContact O-CB 3.41Å; K243-E247 VanDerWaalsContact O-CG 3.32Å; K243-E247 WeakPolarHBondContact O-CG 3.29Å; K243-E247 PolarHBondContact O-N 3.23Å
244L90.1Very high91.7Very high132 Ų13261.8 Ų61.869%0.69133%0.325SS*.Hα-helixtrans-66.7-40.4-179.2-68.7172.3000111D242 K248D242-L244 VanDerWaalsContact C-N 3.35Å; D242-L244 PolarHBondContact O-N 3.14Å; D242-L244 PolarHBondContact OD1-N 2.79Å; D242-L244 VanDerWaalsContact OD1-N 3.13Å; L244-K248 WeakPolarHBondContact O-CB 3.15Å; L244-K248 PolarHBondContact O-N 3.31Å; L244-K248 VanDerWaalsContact O-N 3.12Å
245F89.9Confident91.8Very high8 Ų869.6 Ų69.64%0.03536%0.355CS..Hα-helixtrans-65.8-42.6174.5-176.1-89.4000111.7H13 C16 V20 L236 F240 D242 K243 K248 W249 F296H13-F245 AromaticContact ND1-CD2 3.84Å; H13-F245 AromaticContact ND1-CE2 3.98Å; C16-F245 HydrophobicContact CB-CD1 4.19Å; C16-F245 HydrophobicContact CB-CD2 4.47Å; C16-F245 HydrophobicContact CB-CE1 4.37Å; C16-F245 HydrophobicContact CB-CG 4.25Å; V20-F245 HydrophobicContact CG2-CD1 4.5Å; V20-F245 HydrophobicContact CG2-CE1 3.66Å; V20-F245 HydrophobicContact CG2-CZ 4.5Å; L236-F245 HydrophobicContact CD1-CD1 4.5Å; L236-F245 HydrophobicContact CD1-CE1 4.43Å; F240-F245 AromaticContact CE1-CD1 3.95Å; F240-F245 HydrophobicContact CE1-CD1 3.95Å; F240-F245 HydrophobicContact CZ-CD1 4.28Å; D242-F245 HydrophobicContact CB-CB 4Å; D242-F245 PolarHBondContact O-N 3.31Å; D242-F245 PolarHBondContact OD1-N 2.79Å; D242-F245 VanDerWaalsContact OD1-N 3.12Å; D242-F245 WeakPolarHBondContact OD2-CB 3.49Å; K243-F245 VanDerWaalsContact C-N 3.35Å; K243-F245 PolarHBondContact O-N 2.88Å; F245-K248 PolarHBondContact O-N 3.41Å; F245-W249 WeakPolarHBondContact O-CB 3.44Å; F245-W249 PolarHBondContact O-N 3.31Å; F245-F296 HydrophobicContact CE2-CE1 4.49Å; F245-F296 HydrophobicContact CE2-CZ 4.37Å
246A92.6Very high91.9Very high9 Ų969.2 Ų69.27%0.07435%0.352CS..Hα-helixtrans-63.9-41.4178.600000112.8L236 F240 D242 K243 W249 N250L236-A246 HydrophobicContact CB-CB 4.33Å; L236-A246 HydrophobicContact CD1-CB 4.31Å; F240-A246 HydrophobicContact CB-CB 4.16Å; F240-A246 HydrophobicContact CD1-CB 3.91Å; F240-A246 HydrophobicContact CG-CB 4.27Å; D242-A246 PolarHBondContact O-N 3.49Å; K243-A246 PolarHBondContact O-N 3.01Å; A246-W249 PolarHBondContact O-N 3.08Å; A246-N250 WeakPolarHBondContact O-CB 3.34Å; A246-N250 PolarHBondContact O-N 3.47Å; A246-N250 PolarHBondContact O-ND2 3.43Å
247E93.4Very high92Very high113 Ų11369.2 Ų69.253%0.52835%0.353SS..Hα-helixtrans-59.9-51.6174.2-75.5168.6-171.700110.7K243 W249 N250 E251K243-E247 WeakPolarHBondContact O-CB 3.41Å; K243-E247 VanDerWaalsContact O-CG 3.32Å; K243-E247 WeakPolarHBondContact O-CG 3.29Å; K243-E247 PolarHBondContact O-N 3.23Å; E247-W249 VanDerWaalsContact C-N 3.3Å; E247-W249 PolarHBondContact O-N 3.12Å; E247-N250 PolarHBondContact O-N 3.14Å; E247-N250 VanDerWaalsContact O-N 3.14Å; E247-E251 WeakPolarHBondContact O-CG 3.46Å; E247-E251 PolarHBondContact O-N 3.36Å
248K93.5Very high92.2Very high121 Ų12172.6 Ų72.653%0.52636%0.364SS..Hα-helixtrans-60.9-37.7178.4-173172.1-179.41760112.9L244 F245 N252 F296L244-K248 WeakPolarHBondContact O-CB 3.15Å; L244-K248 PolarHBondContact O-N 3.31Å; L244-K248 VanDerWaalsContact O-N 3.12Å; F245-K248 PolarHBondContact O-N 3.41Å; K248-N252 PolarHBondContact O-N 3.36Å; K248-F296 HydrophobicContact CD-CE2 4.48Å; K248-F296 HydrophobicContact CD-CZ 3.8Å; K248-F296 HydrophobicContact CG-CE1 4.15Å; K248-F296 HydrophobicContact CG-CZ 3.93Å
249W94.7Very high92.8Very high1 Ų170.9 Ų70.90%0.00434%0.342CS..Hα-helixtrans-63.7-48.6174.1176.2-86.1000111.5V20 L24 L234 L236 F245 A246 E247 E251 N252 V253 V290 P295 F296 M297V20-W249 HydrophobicContact CG1-CH2 3.73Å; V20-W249 HydrophobicContact CG1-CZ2 3.79Å; V20-W249 HydrophobicContact CG1-CZ3 4.13Å; L24-W249 HydrophobicContact CD1-CH2 4.49Å; L24-W249 HydrophobicContact CD1-CZ2 3.76Å; L234-W249 PolarHBondContact O-NE1 3.35Å; L236-W249 HydrophobicContact CD1-CB 3.9Å; L236-W249 HydrophobicContact CD1-CD2 4.26Å; L236-W249 HydrophobicContact CD1-CG 3.67Å; L236-W249 HydrophobicContact CG-CG 4.09Å; F245-W249 WeakPolarHBondContact O-CB 3.44Å; F245-W249 PolarHBondContact O-N 3.31Å; A246-W249 PolarHBondContact O-N 3.08Å; E247-W249 VanDerWaalsContact C-N 3.3Å; E247-W249 PolarHBondContact O-N 3.12Å; W249-E251 VanDerWaalsContact C-N 3.32Å; W249-E251 PolarHBondContact O-N 2.87Å; W249-N252 WeakPolarHBondContact O-CB 3.42Å; W249-N252 PolarHBondContact O-N 3.21Å; W249-N252 VanDerWaalsContact O-N 3.16Å; W249-V253 WeakPolarHBondContact O-CG2 3.45Å; W249-V253 PolarHBondContact O-N 2.95Å; W249-V290 HydrophobicContact CH2-CG1 4.49Å; W249-V290 HydrophobicContact CZ3-CG1 4.35Å; W249-P295 WeakPolarHBondContact CZ3-O 3.49Å; W249-F296 HydrophobicContact CE3-CD1 4.01Å; W249-F296 HydrophobicContact CE3-CE1 4.38Å; W249-M297 HydrophobicContact CH2-CE 3.53Å; W249-M297 HydrophobicContact CH2-CG 4.32Å; W249-M297 HydrophobicContact CZ2-CE 3.53Å
250N95.1Very high93.3Very high50 Ų5070.8 Ų70.827%0.26733%0.334SS..Hα-helixtrans-65.9-34.7-178.9-70.8-13.9000112S235 L236 A246 E247 V253 Q254S235-N250 VanDerWaalsContact CA-OD1 3.28Å; S235-N250 WeakPolarHBondContact CA-OD1 3.26Å; S235-N250 WeakPolarHBondContact CB-OD1 3.31Å; L236-N250 PolarHBondContact N-OD1 2.85Å; L236-N250 PolarHBondContact O-ND2 3.4Å; A246-N250 WeakPolarHBondContact O-CB 3.34Å; A246-N250 PolarHBondContact O-N 3.47Å; A246-N250 PolarHBondContact O-ND2 3.43Å; E247-N250 PolarHBondContact O-N 3.14Å; E247-N250 VanDerWaalsContact O-N 3.14Å; N250-V253 PolarHBondContact O-N 3.33Å; N250-Q254 PolarHBondContact O-N 3.48Å
251E95.4Very high93.7Very high116 Ų11672 Ų7254%0.54234%0.343SS..Hα-helixtrans-62.9-46.1169.8-74-179.1173.400111.6E247 W249 V253 Q254 Y255E247-E251 WeakPolarHBondContact O-CG 3.46Å; E247-E251 PolarHBondContact O-N 3.36Å; W249-E251 VanDerWaalsContact C-N 3.32Å; W249-E251 PolarHBondContact O-N 2.87Å; E251-V253 VanDerWaalsContact C-N 3.32Å; E251-V253 PolarHBondContact O-N 3.06Å; E251-Q254 WeakPolarHBondContact O-CB 3.38Å; E251-Q254 PolarHBondContact O-N 3.32Å; E251-Q254 VanDerWaalsContact O-N 3.1Å; E251-Y255 HydrophobicContact CB-CE2 4.43Å; E251-Y255 WeakPolarHBondContact O-CD2 3.42Å; E251-Y255 PolarHBondContact O-N 3.4Å
252N95.6Very high94.2Very high42 Ų4267.6 Ų67.623%0.22531%0.314CS..Hα-helixtrans-59.4-42.3175.3-176.677.3000112.1K248 W249 Q254 Y255 L256 F296 M297K248-N252 PolarHBondContact O-N 3.36Å; W249-N252 WeakPolarHBondContact O-CB 3.42Å; W249-N252 PolarHBondContact O-N 3.21Å; W249-N252 VanDerWaalsContact O-N 3.16Å; N252-Q254 VanDerWaalsContact C-N 3.31Å; N252-Q254 PolarHBondContact O-N 3.47Å; N252-Y255 PolarHBondContact O-N 2.88Å; N252-L256 WeakPolarHBondContact O-CG 3.35Å; N252-L256 PolarHBondContact O-N 3.27Å; N252-F296 HydrophobicContact CB-CD1 4.25Å; N252-M297 PolarHBondContact ND2-O 3.44Å; N252-M297 VanDerWaalsContact ND2-O 3.15Å
253V95.8Very high94.5Very high1 Ų168.8 Ų68.81%0.00632%0.318CS..Hα-helixtrans-64-37175.3174.60000111.3K231 L234 W249 N250 E251 L256 S257K231-V253 HydrophobicContact CG-CG1 4.11Å; L234-V253 HydrophobicContact CB-CG1 3.67Å; L234-V253 HydrophobicContact CB-CG2 3.99Å; L234-V253 HydrophobicContact CD1-CG1 4.43Å; W249-V253 WeakPolarHBondContact O-CG2 3.45Å; W249-V253 PolarHBondContact O-N 2.95Å; N250-V253 PolarHBondContact O-N 3.33Å; E251-V253 VanDerWaalsContact C-N 3.32Å; E251-V253 PolarHBondContact O-N 3.06Å; V253-L256 PolarHBondContact O-N 3.2Å; V253-S257 PolarHBondContact O-N 3.15Å
254Q95.9Very high94.9Very high58 Ų5867 Ų6727%0.27131%0.312SS..Hα-helixtrans-61-50.4173.5178.861.52200111.1N250 E251 N252 L256 S257 E258N250-Q254 PolarHBondContact O-N 3.48Å; E251-Q254 WeakPolarHBondContact O-CB 3.38Å; E251-Q254 PolarHBondContact O-N 3.32Å; E251-Q254 VanDerWaalsContact O-N 3.1Å; N252-Q254 VanDerWaalsContact C-N 3.31Å; N252-Q254 PolarHBondContact O-N 3.47Å; Q254-L256 VanDerWaalsContact C-N 3.31Å; Q254-L256 PolarHBondContact O-N 3.21Å; Q254-S257 WeakPolarHBondContact O-CB 3.26Å; Q254-S257 PolarHBondContact O-N 3.04Å; Q254-S257 VanDerWaalsContact O-N 3.07Å; Q254-S257 PolarHBondContact O-OG 3.4Å; Q254-E258 PolarHBondContact NE2-OE1 3.22Å; Q254-E258 PolarHBondContact O-N 3.26Å
255Y95.6Very high95.1Very high163 Ų16361.5 Ų61.564%0.63928%0.284SS*.Hα-helixtrans-59.3-41.7177.6-70.5-61.1000112.2E251 N252 S257 E258 D259E251-Y255 HydrophobicContact CB-CE2 4.43Å; E251-Y255 WeakPolarHBondContact O-CD2 3.42Å; E251-Y255 PolarHBondContact O-N 3.4Å; N252-Y255 PolarHBondContact O-N 2.88Å; Y255-S257 VanDerWaalsContact C-N 3.27Å; Y255-S257 PolarHBondContact O-N 2.63Å; Y255-E258 PolarHBondContact O-N 2.66Å; Y255-D259 PolarHBondContact O-N 2.8Å
256L94.8Very high95.4Very high10 Ų1061.1 Ų61.15%0.05228%0.282CS..Hα-helixtrans-61.5-33.6175.2-77.9168.3000113.2N252 V253 Q254 E258 D259 V262 M297N252-L256 WeakPolarHBondContact O-CG 3.35Å; N252-L256 PolarHBondContact O-N 3.27Å; V253-L256 PolarHBondContact O-N 3.2Å; Q254-L256 VanDerWaalsContact C-N 3.31Å; Q254-L256 PolarHBondContact O-N 3.21Å; L256-E258 PolarHBondContact O-N 3.38Å; L256-D259 PolarHBondContact O-N 2.92Å; L256-V262 HydrophobicContact CD2-CG2 4.11Å; L256-V262 WeakPolarHBondContact O-CB 3.45Å; L256-V262 WeakPolarHBondContact O-CG1 3.47Å; L256-M297 HydrophobicContact CD1-CB 3.8Å; L256-M297 WeakPolarHBondContact CD1-O 3.3Å
257S94.6Very high95.6Very high8 Ų863.7 Ų63.76%0.05629%0.293CS..Hα-helixtrans-69.6-23.818076.20000113.1V253 Q254 Y255 Q263V253-S257 PolarHBondContact O-N 3.15Å; Q254-S257 WeakPolarHBondContact O-CB 3.26Å; Q254-S257 PolarHBondContact O-N 3.04Å; Q254-S257 VanDerWaalsContact O-N 3.07Å; Q254-S257 PolarHBondContact O-OG 3.4Å; Y255-S257 VanDerWaalsContact C-N 3.27Å; Y255-S257 PolarHBondContact O-N 2.63Å; S257-Q263 PolarHBondContact O-NE2 3.3Å
258E95.6Very high95.7Very high115 Ų11563 Ų6354%0.53729%0.288SS..Hα-helixtrans-94-13.8179.5-66174.2-168.700112.7Q254 Y255 L256 R260Q254-E258 PolarHBondContact NE2-OE1 3.22Å; Q254-E258 PolarHBondContact O-N 3.26Å; Y255-E258 PolarHBondContact O-N 2.66Å; L256-E258 PolarHBondContact O-N 3.38Å; E258-R260 PolarHBondContact O-N 3.02Å
259D96.8Very high95.8Very high61 Ų6158.2 Ų58.233%0.32627%0.268SS..  trans-64.7128.3179.4-171.2-51.1000111.6Y255 L256 S261 V262 Q263Y255-D259 PolarHBondContact O-N 2.8Å; L256-D259 PolarHBondContact O-N 2.92Å; D259-S261 PolarHBondContact O-N 3.15Å; D259-S261 WeakPolarHBondContact OD1-CB 3.48Å; D259-S261 PolarHBondContact OD1-N 2.94Å; D259-S261 PolarHBondContact OD1-OG 3.16Å; D259-V262 HydrophobicContact CB-CB 4.12Å; D259-V262 HydrophobicContact CB-CG2 3.9Å; D259-V262 PolarHBondContact O-N 3.09Å; D259-Q263 WeakPolarHBondContact O-CG 3.33Å; D259-Q263 PolarHBondContact O-N 3.2Å
260R96.8Very high95.9Very high187 Ų18759.1 Ų59.171%0.70627%0.271SS*.Hα-helixtrans-58.9-43.3-179.9179.6179.1171.5162.91.4112.7E258 V262 Q263 E264E258-R260 PolarHBondContact O-N 3.02Å; R260-V262 VanDerWaalsContact C-N 3.33Å; R260-V262 PolarHBondContact O-N 2.89Å; R260-Q263 PolarHBondContact O-N 3.07Å; R260-E264 HydrophobicContact CG-CG 4.48Å; R260-E264 IonicContact CZ-OE1 3.52Å; R260-E264 IonicContact NE-OE1 3.5Å; R260-E264 PolarHBondContact NE-OE1 3.29Å; R260-E264 IonicContact NH2-OE1 2.78Å; R260-E264 WeakPolarHBondContact O-CG 3.46Å; R260-E264 PolarHBondContact O-N 3.04Å
261S96.3Very high95.8Very high32 Ų3262.1 Ų62.122%0.22429%0.288CS..Hα-helixtrans-66.2-38.2-178.866.50000111.4D259 E264 V265 A299D259-S261 PolarHBondContact O-N 3.15Å; D259-S261 WeakPolarHBondContact OD1-CB 3.48Å; D259-S261 PolarHBondContact OD1-N 2.94Å; D259-S261 PolarHBondContact OD1-OG 3.16Å; S261-E264 PolarHBondContact O-N 2.87Å; S261-V265 WeakPolarHBondContact O-CG2 3.41Å; S261-V265 PolarHBondContact O-N 2.85Å; S261-V265 VanDerWaalsContact O-N 3.13Å; S261-A299 VanDerWaalsContact OG-CB 3.31Å; S261-A299 WeakPolarHBondContact OG-CB 3.23Å
262V96.4Very high95.7Very high1 Ų162.5 Ų62.51%0.00629%0.292CS..Hα-helixtrans-66.4-44.8174.1176.90000110.5F230 L256 D259 R260 E264 V265 L266 A299 L302F230-V262 HydrophobicContact CE1-CG1 4.3Å; F230-V262 HydrophobicContact CZ-CG1 4.02Å; L256-V262 HydrophobicContact CD2-CG2 4.11Å; L256-V262 WeakPolarHBondContact O-CB 3.45Å; L256-V262 WeakPolarHBondContact O-CG1 3.47Å; D259-V262 HydrophobicContact CB-CB 4.12Å; D259-V262 HydrophobicContact CB-CG2 3.9Å; D259-V262 PolarHBondContact O-N 3.09Å; R260-V262 VanDerWaalsContact C-N 3.33Å; R260-V262 PolarHBondContact O-N 2.89Å; V262-E264 PolarHBondContact O-N 2.84Å; V262-V265 PolarHBondContact O-N 3.3Å; V262-L266 HydrophobicContact CG1-CD1 3.93Å; V262-L266 HydrophobicContact CG1-CG 4.22Å; V262-L266 WeakPolarHBondContact O-CG 3.43Å; V262-L266 PolarHBondContact O-N 3.14Å; V262-A299 HydrophobicContact CG2-CB 3.79Å; V262-L302 HydrophobicContact CG1-CD1 4.05Å; V262-L302 HydrophobicContact CG2-CD1 4.05Å
263Q96.4Very high95.5Very high71 Ų7162.6 Ų62.633%0.33230%0.296SS..Hα-helixtrans-63.2-38.9177.4-72.1-178.714.600112.7F223 S257 D259 R260 V265 L266 Q267F223-Q263 HydrophobicContact CZ-CB 4.43Å; S257-Q263 PolarHBondContact O-NE2 3.3Å; D259-Q263 WeakPolarHBondContact O-CG 3.33Å; D259-Q263 PolarHBondContact O-N 3.2Å; R260-Q263 PolarHBondContact O-N 3.07Å; Q263-V265 VanDerWaalsContact C-N 3.35Å; Q263-V265 PolarHBondContact O-N 2.79Å; Q263-L266 PolarHBondContact O-N 3.49Å; Q263-Q267 VanDerWaalsContact O-CB 3.22Å; Q263-Q267 WeakPolarHBondContact O-CB 3.35Å; Q263-Q267 PolarHBondContact O-N 3.27Å
264E96.4Very high95.2Very high108 Ų10866.9 Ų66.951%0.50532%0.315SS..Hα-helixtrans-61.3-42.7174.4-75.5174.9-17100111.4R260 S261 V262 Q267 K268R260-E264 HydrophobicContact CG-CG 4.48Å; R260-E264 IonicContact CZ-OE1 3.52Å; R260-E264 IonicContact NE-OE1 3.5Å; R260-E264 PolarHBondContact NE-OE1 3.29Å; R260-E264 IonicContact NH2-OE1 2.78Å; R260-E264 WeakPolarHBondContact O-CG 3.46Å; R260-E264 PolarHBondContact O-N 3.04Å; S261-E264 PolarHBondContact O-N 2.87Å; V262-E264 PolarHBondContact O-N 2.84Å; E264-Q267 PolarHBondContact O-N 2.79Å; E264-K268 PolarHBondContact O-N 2.96Å
265V96.1Very high94.9Very high16 Ų1665.2 Ų65.210%0.09731%0.308CS..Hα-helixtrans-63.4-49.5173.4169.90000111.1S261 V262 Q263 Q267 K268 H269 L282 M303S261-V265 WeakPolarHBondContact O-CG2 3.41Å; S261-V265 PolarHBondContact O-N 2.85Å; S261-V265 VanDerWaalsContact O-N 3.13Å; V262-V265 PolarHBondContact O-N 3.3Å; Q263-V265 VanDerWaalsContact C-N 3.35Å; Q263-V265 PolarHBondContact O-N 2.79Å; V265-Q267 VanDerWaalsContact C-N 3.28Å; V265-Q267 PolarHBondContact O-N 3.16Å; V265-K268 WeakPolarHBondContact O-CB 3.43Å; V265-K268 PolarHBondContact O-N 2.94Å; V265-H269 PolarHBondContact O-CD2 2.9Å; V265-H269 VanDerWaalsContact O-CD2 3.26Å; V265-H269 PolarHBondContact O-N 3.21Å; V265-H269 VanDerWaalsContact O-N 3.08Å; V265-L282 HydrophobicContact CG1-CD2 4.42Å; V265-M303 HydrophobicContact CG2-CG 3.9Å
266L96.3Very high94.7Very high0 Ų058.9 Ų58.90%029%0.285CS..Hα-helixtrans-61.6-37.9179.3-70.1176.8000111.8F223 Y226 V227 F230 V262 Q263 H269 F270 L279 L282F223-L266 HydrophobicContact CE2-CB 4.06Å; F223-L266 HydrophobicContact CZ-CB 4.35Å; Y226-L266 HydrophobicContact CE1-CB 4.42Å; Y226-L266 HydrophobicContact CE1-CD2 4.29Å; V227-L266 HydrophobicContact CG2-CD1 4.44Å; F230-L266 HydrophobicContact CB-CD1 4.17Å; F230-L266 HydrophobicContact CD1-CD1 4.02Å; F230-L266 HydrophobicContact CD2-CD1 4.02Å; F230-L266 HydrophobicContact CD2-CD2 3.75Å; F230-L266 HydrophobicContact CD2-CG 4.48Å; F230-L266 HydrophobicContact CE1-CD1 4.42Å; F230-L266 HydrophobicContact CE2-CD1 4.41Å; F230-L266 HydrophobicContact CE2-CD2 4.21Å; F230-L266 HydrophobicContact CG-CD1 3.81Å; F230-L266 HydrophobicContact CG-CD2 4.26Å; V262-L266 HydrophobicContact CG1-CD1 3.93Å; V262-L266 HydrophobicContact CG1-CG 4.22Å; V262-L266 WeakPolarHBondContact O-CG 3.43Å; V262-L266 PolarHBondContact O-N 3.14Å; Q263-L266 PolarHBondContact O-N 3.49Å; L266-H269 PolarHBondContact O-N 3.12Å; L266-F270 VanDerWaalsContact O-CB 3.24Å; L266-F270 WeakPolarHBondContact O-CB 3.46Å; L266-F270 PolarHBondContact O-N 2.89Å; L266-L279 HydrophobicContact CD2-CD1 4Å; L266-L282 HydrophobicContact CD2-CD2 4.41Å
267Q96.7Very high94.5Very high64 Ų6464.1 Ų64.130%0.29930%0.304SS..Hα-helixtrans-64.6-43.3176.4-174.769.156.400111F223 Q263 E264 V265 H269 F270 N271F223-Q267 VanDerWaalsContact CD1-OE1 3.3Å; F223-Q267 HydrophobicContact CE2-CB 3.97Å; F223-Q267 VanDerWaalsContact CG-OE1 3.26Å; F223-Q267 HydrophobicContact CZ-CB 4.03Å; Q263-Q267 VanDerWaalsContact O-CB 3.22Å; Q263-Q267 WeakPolarHBondContact O-CB 3.35Å; Q263-Q267 PolarHBondContact O-N 3.27Å; E264-Q267 PolarHBondContact O-N 2.79Å; V265-Q267 VanDerWaalsContact C-N 3.28Å; V265-Q267 PolarHBondContact O-N 3.16Å; Q267-H269 PolarHBondContact O-N 2.95Å; Q267-F270 PolarHBondContact O-N 3.32Å; Q267-N271 PolarHBondContact NE2-OD1 2.96Å; Q267-N271 WeakPolarHBondContact O-CB 3.42Å; Q267-N271 PolarHBondContact O-N 2.93Å; Q267-N271 PolarHBondContact O-ND2 3.11Å; Q267-N271 PolarHBondContact O-OD1 3.44Å
268K95.8Very high94.4Very high97 Ų9766 Ų6642%0.42232%0.317SS..Hα-helixtrans-56.4-49.2173.8-178.4-174.5176.7-173.40111E264 V265 N271 I272 S310E264-K268 PolarHBondContact O-N 2.96Å; V265-K268 WeakPolarHBondContact O-CB 3.43Å; V265-K268 PolarHBondContact O-N 2.94Å; K268-N271 PolarHBondContact O-N 3.2Å; K268-I272 HydrophobicContact CG-CD1 4.4Å; K268-I272 WeakPolarHBondContact O-CG1 3.49Å; K268-I272 PolarHBondContact O-N 3.3Å; K268-S310 PolarHBondContact NZ-OG 3.29Å
269H95.3Very high94.4Very high22 Ų2260.6 Ų60.610%0.10229%0.291CS..Hα-helixtrans-66.1-40.4178.9-79.3-83.7000112.6V265 L266 Q267 N271 I272 S273 S306V265-H269 PolarHBondContact O-CD2 2.9Å; V265-H269 VanDerWaalsContact O-CD2 3.26Å; V265-H269 PolarHBondContact O-N 3.21Å; V265-H269 VanDerWaalsContact O-N 3.08Å; L266-H269 PolarHBondContact O-N 3.12Å; Q267-H269 PolarHBondContact O-N 2.95Å; H269-N271 VanDerWaalsContact C-N 3.33Å; H269-N271 PolarHBondContact O-N 3.43Å; H269-I272 PolarHBondContact O-N 3.49Å; H269-S273 PolarHBondContact O-N 3.4Å; H269-S273 VanDerWaalsContact O-O 3.12Å; H269-S306 PolarHBondContact NE2-OG 3.4Å
270F95.4Very high94.2Very high19 Ų1959 Ų598%0.08328%0.282CS..Hα-helixtrans-63.1-38177.4-179.2-100.5000112.7F221 F223 Y226 L266 Q267 I272 S273 K274F221-F270 HydrophobicContact CD2-CE2 4.12Å; F221-F270 AromaticContact CE2-CE2 3.96Å; F221-F270 HydrophobicContact CE2-CE2 3.96Å; F223-F270 HydrophobicContact CB-CD1 4.26Å; F223-F270 HydrophobicContact CB-CE1 4.06Å; F223-F270 HydrophobicContact CB-CZ 4.37Å; F223-F270 HydrophobicContact CD2-CB 4.12Å; F223-F270 HydrophobicContact CD2-CD1 4.12Å; F223-F270 HydrophobicContact CD2-CG 4.02Å; Y226-F270 HydrophobicContact CD1-CB 4.01Å; Y226-F270 AromaticContact CD1-CD2 3.84Å; Y226-F270 HydrophobicContact CD1-CD2 3.84Å; Y226-F270 HydrophobicContact CD1-CG 4.3Å; Y226-F270 AromaticContact CD2-CD2 3.99Å; Y226-F270 HydrophobicContact CD2-CD2 3.99Å; Y226-F270 HydrophobicContact CE1-CB 3.99Å; Y226-F270 HydrophobicContact CE1-CD2 4.34Å; Y226-F270 HydrophobicContact CE2-CD2 4.45Å; Y226-F270 AromaticContact CG-CD2 3.62Å; Y226-F270 HydrophobicContact CG-CD2 3.62Å; Y226-F270 HydrophobicContact CG-CE2 4.23Å; Y226-F270 HydrophobicContact CG-CG 4.49Å; L266-F270 VanDerWaalsContact O-CB 3.24Å; L266-F270 WeakPolarHBondContact O-CB 3.46Å; L266-F270 PolarHBondContact O-N 2.89Å; Q267-F270 PolarHBondContact O-N 3.32Å; F270-I272 VanDerWaalsContact C-N 3.33Å; F270-S273 CarbonylContact O-C 3.53Å; F270-K274 HydrophobicContact CD2-CG 4.11Å; F270-K274 HydrophobicContact CE2-CB 4.4Å; F270-K274 HydrophobicContact CE2-CD 3.93Å; F270-K274 HydrophobicContact CE2-CG 3.74Å; F270-K274 HydrophobicContact CZ-CD 3.85Å; F270-K274 VanDerWaalsContact CZ-CE 3.47Å; F270-K274 HydrophobicContact CZ-CG 4.04Å
271N94.6Very high94.1Very high114 Ų11455.7 Ų55.761%0.6128%0.276SS*.Hα-helixtrans-67.2-33.6176.4-69.6-10.8000112.1Q267 K268 H269Q267-N271 PolarHBondContact NE2-OD1 2.96Å; Q267-N271 WeakPolarHBondContact O-CB 3.42Å; Q267-N271 PolarHBondContact O-N 2.93Å; Q267-N271 PolarHBondContact O-ND2 3.11Å; Q267-N271 PolarHBondContact O-OD1 3.44Å; K268-N271 PolarHBondContact O-N 3.2Å; H269-N271 VanDerWaalsContact C-N 3.33Å; H269-N271 PolarHBondContact O-N 3.43Å
272I93.2Very high94.1Very high124 Ų12454.2 Ų54.264%0.63627%0.265SS*.Hα-helixtrans-72.8-49.5175.9-64.3163.6000110.3K268 H269 F270K268-I272 HydrophobicContact CG-CD1 4.4Å; K268-I272 WeakPolarHBondContact O-CG1 3.49Å; K268-I272 PolarHBondContact O-N 3.3Å; H269-I272 PolarHBondContact O-N 3.49Å; F270-I272 VanDerWaalsContact C-N 3.33Å
273S90Very high94Very high44 Ų4454.1 Ų54.131%0.30827%0.265SS..  trans-154.8133.6-177.7-168.30000111.7H269 F270 N275H269-S273 PolarHBondContact O-N 3.4Å; H269-S273 VanDerWaalsContact O-O 3.12Å; F270-S273 CarbonylContact O-C 3.53Å; S273-N275 PolarHBondContact O-N 3.11Å; S273-N275 VanDerWaalsContact OG-CB 3.26Å; S273-N275 WeakPolarHBondContact OG-CB 3.32Å; S273-N275 PolarHBondContact OG-N 2.87Å
274K90.1Very high94Very high91 Ų9151.8 Ų51.840%0.39625%0.254SS..  trans-83.627.8170.5-57.2-172.4-179.1-176.10112.5N219 F221 F270N219-K274 HydrophobicContact CB-CB 4.06Å; N219-K274 PolarHBondContact ND2-O 3.4Å; F221-K274 HydrophobicContact CE2-CB 4.38Å; F221-K274 HydrophobicContact CZ-CB 4.29Å; F221-K274 VanDerWaalsContact CZ-O 3.25Å; F221-K274 WeakPolarHBondContact CZ-O 3.45Å; F270-K274 HydrophobicContact CD2-CG 4.11Å; F270-K274 HydrophobicContact CE2-CB 4.4Å; F270-K274 HydrophobicContact CE2-CD 3.93Å; F270-K274 HydrophobicContact CE2-CG 3.74Å; F270-K274 HydrophobicContact CZ-CD 3.85Å; F270-K274 VanDerWaalsContact CZ-CE 3.47Å; F270-K274 HydrophobicContact CZ-CG 4.04Å
275N90.1Very high94Very high23 Ų2349 Ų4912%0.12324%0.243CC..  trans-94.1125.7-174.9-175.1-1.6000111.2R69 G70 S273 R277 S278 L279R69-N275 PolarHBondContact O-ND2 2.63Å; G70-N275 WeakPolarHBondContact CA-OD1 3.49Å; G70-N275 PolarHBondContact O-OD1 3.08Å; G70-N275 VanDerWaalsContact O-OD1 3.06Å; S273-N275 PolarHBondContact O-N 3.11Å; S273-N275 VanDerWaalsContact OG-CB 3.26Å; S273-N275 WeakPolarHBondContact OG-CB 3.32Å; S273-N275 PolarHBondContact OG-N 2.87Å; N275-R277 PolarHBondContact O-N 3.15Å; N275-R277 WeakPolarHBondContact OD1-CB 3.49Å; N275-R277 PolarHBondContact OD1-N 3.24Å; N275-S278 PolarHBondContact O-N 3.28Å; N275-L279 PolarHBondContact O-N 2.95Å
276L90.3Very high93.9Very high30 Ų3048.2 Ų48.216%0.15724%0.238CC..Hα-helixtrans-66.4-26.6177.9-71.982.4000112.3F38 F221 I229 S278 L279 H280F38-L276 HydrophobicContact CD2-CD2 4.1Å; F221-L276 HydrophobicContact CE1-CD1 3.71Å; F221-L276 HydrophobicContact CZ-CD1 3.7Å; I229-L276 HydrophobicContact CD1-CD2 4.37Å; I229-L276 HydrophobicContact CG2-CD2 3.79Å; I229-L276 HydrophobicContact CG2-CG 4.3Å; L276-S278 VanDerWaalsContact C-N 3.34Å; L276-S278 PolarHBondContact O-N 2.86Å; L276-L279 WeakPolarHBondContact O-CB 3.47Å; L276-L279 PolarHBondContact O-N 3.01Å; L276-H280 PolarHBondContact O-CD2 2.99Å; L276-H280 PolarHBondContact O-N 3.38Å
277R92.1Very high93.8Very high120 Ų12048.2 Ų48.245%0.45324%0.238SC..Hα-helixtrans-66.4-36.4176.9-170.7172.5-70.3168.1-3.8112.2Q31 N275 L279 H280 M281Q31-R277 VanDerWaalsContact OE1-NH2 3.14Å; N275-R277 PolarHBondContact O-N 3.15Å; N275-R277 WeakPolarHBondContact OD1-CB 3.49Å; N275-R277 PolarHBondContact OD1-N 3.24Å; R277-L279 VanDerWaalsContact C-N 3.33Å; R277-H280 PolarHBondContact O-N 3.05Å; R277-M281 PolarHBondContact O-N 2.88Å; R277-M281 VanDerWaalsContact O-N 3.08Å
278S92.9Very high93.6Very high47 Ų4748.9 Ų48.933%0.32924%0.244SC..Hα-helixtrans-66.8-37.9173.5-55.30000111.1N275 L276 M281 L282N275-S278 PolarHBondContact O-N 3.28Å; L276-S278 VanDerWaalsContact C-N 3.34Å; L276-S278 PolarHBondContact O-N 2.86Å; S278-M281 PolarHBondContact O-N 3.5Å; S278-L282 PolarHBondContact O-N 2.9Å; S278-L282 VanDerWaalsContact O-N 3.11Å
279L93.6Very high93.4Very high1 Ų148 Ų481%0.00524%0.238CC..Hα-helixtrans-61.2-46.9171.7-177.660.3000111.4Y226 I229 F230 L266 N275 L276 R277 M281 L282 L283Y226-L279 HydrophobicContact CD2-CD2 4.48Å; Y226-L279 HydrophobicContact CE1-CD1 4.44Å; Y226-L279 HydrophobicContact CE2-CB 4.27Å; Y226-L279 HydrophobicContact CE2-CD2 3.89Å; I229-L279 HydrophobicContact CG2-CD2 3.93Å; F230-L279 HydrophobicContact CB-CD2 4.44Å; F230-L279 HydrophobicContact CD2-CD1 4.25Å; L266-L279 HydrophobicContact CD2-CD1 4Å; N275-L279 PolarHBondContact O-N 2.95Å; L276-L279 WeakPolarHBondContact O-CB 3.47Å; L276-L279 PolarHBondContact O-N 3.01Å; R277-L279 VanDerWaalsContact C-N 3.33Å; L279-M281 VanDerWaalsContact C-N 3.27Å; L279-M281 PolarHBondContact O-N 2.9Å; L279-L282 WeakPolarHBondContact O-CB 3.49Å; L279-L282 PolarHBondContact O-N 3.37Å; L279-L282 VanDerWaalsContact O-N 3.1Å; L279-L283 HydrophobicContact CD1-CG 4.26Å; L279-L283 HydrophobicContact CG-CD1 4.15Å; L279-L283 HydrophobicContact CG-CG 4.28Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.46Å; L279-L283 PolarHBondContact O-N 3.29Å
280H93.9Very high93.3Very high28 Ų2847.2 Ų47.213%0.1323%0.234CC..Hα-helixtrans-59.8-37.6178.3-68.5-169.5000112.2F28 L276 R277 L283 M284F28-H280 HydrophobicContact CB-CB 4.2Å; F28-H280 HydrophobicContact CD1-CB 4.38Å; L276-H280 PolarHBondContact O-CD2 2.99Å; L276-H280 PolarHBondContact O-N 3.38Å; R277-H280 PolarHBondContact O-N 3.05Å; H280-L283 PolarHBondContact O-N 3.41Å; H280-M284 VanDerWaalsContact O-CB 3.29Å; H280-M284 WeakPolarHBondContact O-CB 3.32Å; H280-M284 PolarHBondContact O-N 2.93Å
281M94.8Very high93.1Very high118 Ų11849.2 Ų49.258%0.58125%0.248SC*.Hα-helixtrans-61.6-47.8173.6-176-169-67.400111.3R277 S278 L279 L283 M284 L285R277-M281 PolarHBondContact O-N 2.88Å; R277-M281 VanDerWaalsContact O-N 3.08Å; S278-M281 PolarHBondContact O-N 3.5Å; L279-M281 VanDerWaalsContact C-N 3.27Å; L279-M281 PolarHBondContact O-N 2.9Å; M281-L283 PolarHBondContact O-N 3.28Å; M281-M284 PolarHBondContact O-N 3.38Å; M281-L285 WeakPolarHBondContact O-CG 3.37Å; M281-L285 PolarHBondContact O-N 3.37Å
282L95.6Very high92.8Very high0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-58.4-48.1176.2179.166.2000111.1V265 L266 S278 L279 M284 L285 T286 L302 A305V265-L282 HydrophobicContact CG1-CD2 4.42Å; L266-L282 HydrophobicContact CD2-CD2 4.41Å; S278-L282 PolarHBondContact O-N 2.9Å; S278-L282 VanDerWaalsContact O-N 3.11Å; L279-L282 WeakPolarHBondContact O-CB 3.49Å; L279-L282 PolarHBondContact O-N 3.37Å; L279-L282 VanDerWaalsContact O-N 3.1Å; L282-M284 VanDerWaalsContact C-N 3.32Å; L282-M284 PolarHBondContact O-N 3.32Å; L282-L285 PolarHBondContact O-N 3.41Å; L282-T286 PolarHBondContact O-N 3.49Å; L282-T286 PolarHBondContact O-OG1 3.1Å; L282-T286 VanDerWaalsContact O-OG1 3.05Å; L282-L302 HydrophobicContact CD2-CD2 4.29Å; L282-L302 HydrophobicContact CG-CD2 4.33Å; L282-A305 HydrophobicContact CD1-CB 3.82Å
283L95Very high92.5Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-61.5-39.4179.1-67-176.5000112.6F28 F230 Q233 L234 L279 H280 M281 T286 L287F28-L283 HydrophobicContact CD2-CB 4.16Å; F28-L283 HydrophobicContact CE1-CB 4.31Å; F28-L283 HydrophobicContact CE1-CD1 3.83Å; F28-L283 HydrophobicContact CE2-CB 3.72Å; F28-L283 HydrophobicContact CZ-CB 3.82Å; F28-L283 HydrophobicContact CZ-CD1 3.82Å; F28-L283 HydrophobicContact CZ-CG 4.46Å; F230-L283 HydrophobicContact CD2-CD2 3.63Å; F230-L283 HydrophobicContact CE2-CD2 3.51Å; Q233-L283 HydrophobicContact CB-CD1 3.92Å; L234-L283 HydrophobicContact CD1-CD2 3.53Å; L234-L283 HydrophobicContact CD2-CD2 4.16Å; L234-L283 HydrophobicContact CG-CD1 4.2Å; L234-L283 HydrophobicContact CG-CD2 3.82Å; L279-L283 HydrophobicContact CD1-CG 4.26Å; L279-L283 HydrophobicContact CG-CD1 4.15Å; L279-L283 HydrophobicContact CG-CG 4.28Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.46Å; L279-L283 PolarHBondContact O-N 3.29Å; H280-L283 PolarHBondContact O-N 3.41Å; M281-L283 PolarHBondContact O-N 3.28Å; L283-T286 PolarHBondContact O-N 3.11Å; L283-L287 VanDerWaalsContact O-CB 3.24Å; L283-L287 WeakPolarHBondContact O-CB 3.38Å; L283-L287 PolarHBondContact O-N 3.38Å
284M95.8Very high92.5Very high22 Ų2247.6 Ų47.611%0.10826%0.255CS..Hα-helixtrans-65.8-42176.5-173.764.4-102.200111.5R25 F28 H280 M281 L282 T286 L287 N288R25-M284 HydrophobicContact CG-CE 3.89Å; R25-M284 HydrophobicContact CG-SD 3.84Å; R25-M284 VanDerWaalsContact CZ-CE 3.48Å; F28-M284 HydrophobicContact CB-CB 4.49Å; F28-M284 HydrophobicContact CD2-CB 4.31Å; F28-M284 HydrophobicContact CD2-SD 4.39Å; H280-M284 VanDerWaalsContact O-CB 3.29Å; H280-M284 WeakPolarHBondContact O-CB 3.32Å; H280-M284 PolarHBondContact O-N 2.93Å; M281-M284 PolarHBondContact O-N 3.38Å; L282-M284 VanDerWaalsContact C-N 3.32Å; L282-M284 PolarHBondContact O-N 3.32Å; M284-T286 VanDerWaalsContact C-N 3.34Å; M284-T286 PolarHBondContact O-N 3.45Å; M284-L287 HydrophobicContact CE-CB 4.08Å; M284-L287 HydrophobicContact CE-CD2 3.85Å; M284-L287 HydrophobicContact CE-CG 4.15Å; M284-L287 PolarHBondContact O-N 3.11Å; M284-L287 HydrophobicContact SD-CD2 4.48Å; M284-N288 WeakPolarHBondContact CE-OD1 3.46Å; M284-N288 PolarHBondContact O-N 3.45Å; M284-N288 VanDerWaalsContact O-N 3.07Å; M284-N288 PolarHBondContact O-ND2 3.04Å
285L95.8Very high92.4Very high49 Ų4945.5 Ų45.526%0.25725%0.251SS..Hα-helixtrans-64.9-38.9176.1-68.8178.9000112M281 L282 N288 A305 L308 C309M281-L285 WeakPolarHBondContact O-CG 3.37Å; M281-L285 PolarHBondContact O-N 3.37Å; L282-L285 PolarHBondContact O-N 3.41Å; L285-N288 PolarHBondContact O-N 3.21Å; L285-A305 HydrophobicContact CB-CB 3.74Å; L285-L308 HydrophobicContact CD1-CB 4.35Å; L285-C309 WeakPolarHBondContact CD1-SG 3.4Å
286T94.8Very high92.5Very high0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-62.9-47.6172.5-54.50000111L282 L283 M284 N288 R289 M297 D301 L302L282-T286 PolarHBondContact O-N 3.49Å; L282-T286 PolarHBondContact O-OG1 3.1Å; L282-T286 VanDerWaalsContact O-OG1 3.05Å; L283-T286 PolarHBondContact O-N 3.11Å; M284-T286 VanDerWaalsContact C-N 3.34Å; M284-T286 PolarHBondContact O-N 3.45Å; T286-N288 PolarHBondContact O-N 3.22Å; T286-R289 WeakPolarHBondContact O-CB 3.38Å; T286-R289 PolarHBondContact O-N 3.33Å; T286-R289 VanDerWaalsContact O-N 3.08Å; T286-M297 HydrophobicContact CG2-CB 4.43Å; T286-M297 HydrophobicContact CG2-CG 4.14Å; T286-M297 HydrophobicContact CG2-SD 3.64Å; T286-D301 HydrophobicContact CG2-CB 3.7Å; T286-L302 HydrophobicContact CG2-CD1 4.42Å; T286-L302 HydrophobicContact CG2-CD2 4.48Å; T286-L302 HydrophobicContact CG2-CG 3.79Å
287L94.6Very high92.6Very high0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-62.6-28-177.6178.267.7000112.6Q21 L24 R25 F28 L283 M284 R289 V290 M297Q21-L287 PolarHBondContact NE2-O 3.15Å; L24-L287 HydrophobicContact CB-CD2 3.48Å; L24-L287 VanDerWaalsContact CB-CD2 3.48Å; L24-L287 HydrophobicContact CD1-CD1 3.86Å; L24-L287 HydrophobicContact CD1-CD2 4.11Å; L24-L287 HydrophobicContact CG-CD2 4.45Å; R25-L287 HydrophobicContact CG-CD2 4.44Å; F28-L287 HydrophobicContact CD2-CD2 4.39Å; F28-L287 HydrophobicContact CE2-CD2 4.18Å; L283-L287 VanDerWaalsContact O-CB 3.24Å; L283-L287 WeakPolarHBondContact O-CB 3.38Å; L283-L287 PolarHBondContact O-N 3.38Å; M284-L287 HydrophobicContact CE-CB 4.08Å; M284-L287 HydrophobicContact CE-CD2 3.85Å; M284-L287 HydrophobicContact CE-CG 4.15Å; M284-L287 PolarHBondContact O-N 3.11Å; M284-L287 HydrophobicContact SD-CD2 4.48Å; L287-R289 PolarHBondContact O-N 2.54Å; L287-R289 VanDerWaalsContact O-N 3.14Å; L287-V290 HydrophobicContact CD1-CB 4.34Å; L287-V290 HydrophobicContact CD1-CG2 4.38Å; L287-V290 WeakPolarHBondContact O-CB 3.49Å; L287-V290 PolarHBondContact O-N 3.48Å; L287-V290 VanDerWaalsContact O-N 3.11Å; L287-M297 HydrophobicContact CB-CE 4.16Å; L287-M297 HydrophobicContact CD1-CE 3.64Å
288N93.1Very high92.8Very high78 Ų7841.8 Ų41.842%0.41724%0.24SC..THydrogen-bonded Turntrans-60.8-20.7175.5-76.2-29.9000113.8R25 M284 L285 T286R25-N288 PolarHBondContact NH2-OD1 3.27Å; M284-N288 WeakPolarHBondContact CE-OD1 3.46Å; M284-N288 PolarHBondContact O-N 3.45Å; M284-N288 VanDerWaalsContact O-N 3.07Å; M284-N288 PolarHBondContact O-ND2 3.04Å; L285-N288 PolarHBondContact O-N 3.21Å; T286-N288 PolarHBondContact O-N 3.22Å
289R90.9Very high92.9Very high78 Ų7840.3 Ų40.329%0.29423%0.23SC..THydrogen-bonded Turntrans-86.2-15.4178.9-64173.5169.2-104.4-5.5113.2T286 L287 T291 D301 E304T286-R289 WeakPolarHBondContact O-CB 3.38Å; T286-R289 PolarHBondContact O-N 3.33Å; T286-R289 VanDerWaalsContact O-N 3.08Å; L287-R289 PolarHBondContact O-N 2.54Å; L287-R289 VanDerWaalsContact O-N 3.14Å; R289-T291 PolarHBondContact O-N 3.32Å; R289-D301 HydrophobicContact CB-CB 4.44Å; R289-D301 WeakPolarHBondContact CD-OD1 3.28Å; R289-E304 VanDerWaalsContact CZ-CB 3.5Å; R289-E304 VanDerWaalsContact CZ-CD 3.49Å; R289-E304 IonicContact CZ-OE2 3.53Å; R289-E304 IonicContact NH1-OE1 2.74Å; R289-E304 PolarHBondContact NH1-OE1 3.11Å; R289-E304 VanDerWaalsContact NH1-OE1 3.13Å; R289-E304 IonicContact NH1-OE2 2.61Å; R289-E304 PolarHBondContact NH1-OE2 2.89Å; R289-E304 VanDerWaalsContact NH2-CB 3.33Å; R289-E304 IonicContact NH2-OE2 3.64Å; R289-E304 PolarHBondContact NH2-OE2 3Å
290V92.4Very high93Very high6 Ų644.9 Ų44.94%0.03625%0.254CS..  trans-76.1112.8179.1177.70000109.3L17 Q21 W249 L287 H294 P295 M297L17-V290 HydrophobicContact CD1-CG1 3.76Å; L17-V290 HydrophobicContact CD2-CG1 4.35Å; L17-V290 HydrophobicContact CG-CG1 4.23Å; Q21-V290 PolarHBondContact NE2-O 3.41Å; Q21-V290 VanDerWaalsContact NE2-O 3.11Å; W249-V290 HydrophobicContact CH2-CG1 4.49Å; W249-V290 HydrophobicContact CZ3-CG1 4.35Å; L287-V290 HydrophobicContact CD1-CB 4.34Å; L287-V290 HydrophobicContact CD1-CG2 4.38Å; L287-V290 WeakPolarHBondContact O-CB 3.49Å; L287-V290 PolarHBondContact O-N 3.48Å; L287-V290 VanDerWaalsContact O-N 3.11Å; V290-H294 CarbonylContact C-O 3.57Å; V290-H294 WeakPolarHBondContact CA-O 3.46Å; V290-P295 WeakPolarHBondContact CG1-O 3.26Å; V290-M297 HydrophobicContact CG2-CE 4.33Å; V290-M297 HydrophobicContact CG2-CG 3.49Å; V290-M297 VanDerWaalsContact CG2-CG 3.49Å
291T91.2Very high93Very high60 Ų6044 Ų4437%0.36825%0.25SS..BIsolated β-bridgetrans-134.1174.6-175.356.90000110.6R289 S293 H294 P295R289-T291 PolarHBondContact O-N 3.32Å; T291-S293 PolarHBondContact O-N 3.41Å; T291-S293 PolarHBondContact OG1-OG 3.44Å; T291-S293 VanDerWaalsContact OG1-OG 3.11Å; T291-H294 PolarHBondContact N-O 3.09Å; T291-H294 CarbonylContact O-C 3.57Å; T291-H294 PolarHBondContact O-N 3.33Å; T291-H294 PolarHBondContact OG1-N 3.18Å; T291-P295 WeakPolarHBondContact O-CA 3.39Å
292A88.3Confident93Very high80 Ų8038.5 Ų38.566%0.66122%0.223SC*.THydrogen-bonded Turntrans-60.4-28.8178.300000113.1
293S88.4Confident93Very high113 Ų11341.6 Ų41.679%0.7924%0.239SC*.THydrogen-bonded Turntrans-81.7-20.117345.70000113.8T291T291-S293 PolarHBondContact O-N 3.41Å; T291-S293 PolarHBondContact OG1-OG 3.44Å; T291-S293 VanDerWaalsContact OG1-OG 3.11Å
294H89.9Confident93Very high56 Ų5644.9 Ų44.926%0.25925%0.254SS..BIsolated β-bridgetrans-134.276.6-178.7-171.863.2000110.1V290 T291 F296 D301V290-H294 CarbonylContact C-O 3.57Å; V290-H294 WeakPolarHBondContact CA-O 3.46Å; T291-H294 PolarHBondContact N-O 3.09Å; T291-H294 CarbonylContact O-C 3.57Å; T291-H294 PolarHBondContact O-N 3.33Å; T291-H294 PolarHBondContact OG1-N 3.18Å; H294-F296 PolarHBondContact CE1-O 3.41Å; H294-F296 PolarHBondContact NE2-O 2.81Å; H294-F296 PolarHBondContact O-N 3.26Å; H294-D301 IonicContact CD2-OD2 3.13Å; H294-D301 IonicContact CE1-OD2 2.67Å; H294-D301 IonicContact NE2-OD1 2.69Å; H294-D301 IonicContact NE2-OD2 3.55Å; H294-D301 PolarHBondContact NE2-OD2 2.89Å
295P87.9Confident93Very high47 Ų4743.9 Ų43.931%0.30525%0.249SC..  trans-79.8-16.9-163.728.8-35.1000114.9L17 W249 V290 T291L17-P295 HydrophobicContact CD1-CB 3.97Å; W249-P295 WeakPolarHBondContact CZ3-O 3.49Å; V290-P295 WeakPolarHBondContact CG1-O 3.26Å; T291-P295 WeakPolarHBondContact O-CA 3.39Å
296F91.4Very high93Very high44 Ų4441.9 Ų41.919%0.19324%0.239CC..SBendtrans-122.5145.3-178.7-61.6-73.4000110.2F245 K248 W249 N252 H294F245-F296 HydrophobicContact CE2-CE1 4.49Å; F245-F296 HydrophobicContact CE2-CZ 4.37Å; K248-F296 HydrophobicContact CD-CE2 4.48Å; K248-F296 HydrophobicContact CD-CZ 3.8Å; K248-F296 HydrophobicContact CG-CE1 4.15Å; K248-F296 HydrophobicContact CG-CZ 3.93Å; W249-F296 HydrophobicContact CE3-CD1 4.01Å; W249-F296 HydrophobicContact CE3-CE1 4.38Å; N252-F296 HydrophobicContact CB-CD1 4.25Å; H294-F296 PolarHBondContact CE1-O 3.41Å; H294-F296 PolarHBondContact NE2-O 2.81Å; H294-F296 PolarHBondContact O-N 3.26Å
297M93.4Very high92.9Very high3 Ų347.6 Ų47.62%0.01527%0.266CS..  trans-68.8145.6175.2-64-173-151.400110.9L24 L234 W249 N252 L256 T286 L287 V290L24-M297 HydrophobicContact CD1-CE 4.38Å; L234-M297 HydrophobicContact CD2-CE 3.26Å; L234-M297 HydrophobicContact CD2-SD 3.49Å; L234-M297 WeakPolarHBondContact CD2-SD 3.33Å; W249-M297 HydrophobicContact CH2-CE 3.53Å; W249-M297 HydrophobicContact CH2-CG 4.32Å; W249-M297 HydrophobicContact CZ2-CE 3.53Å; N252-M297 PolarHBondContact ND2-O 3.44Å; N252-M297 VanDerWaalsContact ND2-O 3.15Å; L256-M297 HydrophobicContact CD1-CB 3.8Å; L256-M297 WeakPolarHBondContact CD1-O 3.3Å; T286-M297 HydrophobicContact CG2-CB 4.43Å; T286-M297 HydrophobicContact CG2-CG 4.14Å; T286-M297 HydrophobicContact CG2-SD 3.64Å; L287-M297 HydrophobicContact CB-CE 4.16Å; L287-M297 HydrophobicContact CD1-CE 3.64Å; V290-M297 HydrophobicContact CG2-CE 4.33Å; V290-M297 HydrophobicContact CG2-CG 3.49Å; V290-M297 VanDerWaalsContact CG2-CG 3.49Å
298T94.6Very high92.8Very high48 Ų4851.8 Ų51.829%0.29429%0.288SS..  trans-122.5165.4174.265.70000111I300 D301T298-I300 PolarHBondContact O-N 3.02Å; T298-D301 PolarHBondContact N-OD2 3.43Å; T298-D301 PolarHBondContact O-N 3.07Å; T298-D301 PolarHBondContact OG1-OD2 3.01Å
299A95.3Very high92.8Very high15 Ų1550.4 Ų50.412%0.12428%0.284CS..Hα-helixtrans-59.3-33.2174.900000112.8S261 V262 D301 L302 M303S261-A299 VanDerWaalsContact OG-CB 3.31Å; S261-A299 WeakPolarHBondContact OG-CB 3.23Å; V262-A299 HydrophobicContact CG2-CB 3.79Å; A299-D301 VanDerWaalsContact C-N 3.34Å; A299-D301 PolarHBondContact O-N 2.97Å; A299-L302 PolarHBondContact O-N 2.91Å; A299-M303 HydrophobicContact CB-CE 4.45Å; A299-M303 WeakPolarHBondContact O-CG 3.47Å; A299-M303 PolarHBondContact O-N 3.15Å
300I95.3Very high92.8Very high98 Ų9849.3 Ų49.350%0.50329%0.288SS..Hα-helixtrans-63.7-41.3179.5-58.3171.4000110.7T298 L302 M303 E304T298-I300 PolarHBondContact O-N 3.02Å; I300-L302 VanDerWaalsContact C-N 3.28Å; I300-L302 PolarHBondContact O-N 3.31Å; I300-M303 HydrophobicContact CB-CE 4.33Å; I300-M303 HydrophobicContact CG1-CE 3.95Å; I300-M303 PolarHBondContact O-N 2.99Å; I300-E304 HydrophobicContact CG2-CG 4.32Å; I300-E304 WeakPolarHBondContact CG2-OE1 3.3Å; I300-E304 WeakPolarHBondContact O-CG 3.28Å; I300-E304 PolarHBondContact O-N 3.2Å
301D95.3Very high92.6Very high10 Ų1053.8 Ų53.85%0.05331%0.31CS..Hα-helixtrans-59.8-40.9178-58.1-51.8000111.8T286 R289 H294 T298 A299 A305T286-D301 HydrophobicContact CG2-CB 3.7Å; R289-D301 HydrophobicContact CB-CB 4.44Å; R289-D301 WeakPolarHBondContact CD-OD1 3.28Å; H294-D301 IonicContact CD2-OD2 3.13Å; H294-D301 IonicContact CE1-OD2 2.67Å; H294-D301 IonicContact NE2-OD1 2.69Å; H294-D301 IonicContact NE2-OD2 3.55Å; H294-D301 PolarHBondContact NE2-OD2 2.89Å; T298-D301 PolarHBondContact N-OD2 3.43Å; T298-D301 PolarHBondContact O-N 3.07Å; T298-D301 PolarHBondContact OG1-OD2 3.01Å; A299-D301 VanDerWaalsContact C-N 3.34Å; A299-D301 PolarHBondContact O-N 2.97Å; D301-A305 VanDerWaalsContact O-CB 3.26Å; D301-A305 WeakPolarHBondContact O-CB 3.25Å; D301-A305 PolarHBondContact O-N 3.25Å
302L95Very high92.6Very high1 Ų154.1 Ų54.11%0.00531%0.309CS..Hα-helixtrans-68.5-41.1175.9-88.4144.8000112.5F230 V262 L282 T286 A299 I300 A305 S306F230-L302 HydrophobicContact CE2-CD1 4.27Å; F230-L302 HydrophobicContact CE2-CD2 3.94Å; F230-L302 HydrophobicContact CZ-CD1 3.98Å; F230-L302 HydrophobicContact CZ-CD2 4.48Å; V262-L302 HydrophobicContact CG1-CD1 4.05Å; V262-L302 HydrophobicContact CG2-CD1 4.05Å; L282-L302 HydrophobicContact CD2-CD2 4.29Å; L282-L302 HydrophobicContact CG-CD2 4.33Å; T286-L302 HydrophobicContact CG2-CD1 4.42Å; T286-L302 HydrophobicContact CG2-CD2 4.48Å; T286-L302 HydrophobicContact CG2-CG 3.79Å; A299-L302 PolarHBondContact O-N 2.91Å; I300-L302 VanDerWaalsContact C-N 3.28Å; I300-L302 PolarHBondContact O-N 3.31Å; L302-A305 PolarHBondContact O-N 3.45Å; L302-S306 VanDerWaalsContact O-CB 3.24Å; L302-S306 WeakPolarHBondContact O-CB 3.49Å; L302-S306 PolarHBondContact O-N 3.26Å
303M95.3Very high92.8Very high66 Ų6654.6 Ų54.633%0.32531%0.307SS..Hα-helixtrans-63.1-45.4176.3-73.3-173.6-72.200111.1V265 A299 I300 S306 Q307V265-M303 HydrophobicContact CG2-CG 3.9Å; A299-M303 HydrophobicContact CB-CE 4.45Å; A299-M303 WeakPolarHBondContact O-CG 3.47Å; A299-M303 PolarHBondContact O-N 3.15Å; I300-M303 HydrophobicContact CB-CE 4.33Å; I300-M303 HydrophobicContact CG1-CE 3.95Å; I300-M303 PolarHBondContact O-N 2.99Å; M303-S306 WeakPolarHBondContact O-CB 3.43Å; M303-S306 PolarHBondContact O-N 3.17Å; M303-Q307 WeakPolarHBondContact O-CG 3.48Å; M303-Q307 PolarHBondContact O-N 2.98Å
304E94.8Very high93Very high69 Ų6952.1 Ų52.132%0.32228%0.283SS..Hα-helixtrans-68.5-39.3178.3-68.8-170.7-125.900112R289 I300 S306 Q307 L308R289-E304 VanDerWaalsContact CZ-CB 3.5Å; R289-E304 VanDerWaalsContact CZ-CD 3.49Å; R289-E304 IonicContact CZ-OE2 3.53Å; R289-E304 IonicContact NH1-OE1 2.74Å; R289-E304 PolarHBondContact NH1-OE1 3.11Å; R289-E304 VanDerWaalsContact NH1-OE1 3.13Å; R289-E304 IonicContact NH1-OE2 2.61Å; R289-E304 PolarHBondContact NH1-OE2 2.89Å; R289-E304 VanDerWaalsContact NH2-CB 3.33Å; R289-E304 IonicContact NH2-OE2 3.64Å; R289-E304 PolarHBondContact NH2-OE2 3Å; I300-E304 HydrophobicContact CG2-CG 4.32Å; I300-E304 WeakPolarHBondContact CG2-OE1 3.3Å; I300-E304 WeakPolarHBondContact O-CG 3.28Å; I300-E304 PolarHBondContact O-N 3.2Å; E304-S306 VanDerWaalsContact C-N 3.3Å; E304-S306 PolarHBondContact O-N 3.47Å; E304-Q307 WeakPolarHBondContact O-CB 3.25Å; E304-Q307 PolarHBondContact O-N 3.47Å; E304-L308 PolarHBondContact O-N 3.2Å; E304-L308 VanDerWaalsContact O-N 3.09Å
305A95.5Very high92.9Very high0 Ų050.6 Ų50.60%028%0.279CS..Hα-helixtrans-60.4-40.8171.300000112L282 L285 D301 L302 Q307 L308 C309L282-A305 HydrophobicContact CD1-CB 3.82Å; L285-A305 HydrophobicContact CB-CB 3.74Å; D301-A305 VanDerWaalsContact O-CB 3.26Å; D301-A305 WeakPolarHBondContact O-CB 3.25Å; D301-A305 PolarHBondContact O-N 3.25Å; L302-A305 PolarHBondContact O-N 3.45Å; A305-Q307 VanDerWaalsContact C-N 3.35Å; A305-Q307 PolarHBondContact O-N 3.48Å; A305-L308 PolarHBondContact O-N 3.31Å; A305-C309 PolarHBondContact O-N 3.43Å; A305-C309 VanDerWaalsContact O-N 3.11Å; A305-C309 PolarHBondContact O-SG 3.3Å
306S95.8Very high93.1Very high7 Ų752.6 Ų52.65%0.04929%0.287CS..Hα-helixtrans-64.7-37.1175.5-176.80000112.7H269 L302 M303 E304 C309 S310H269-S306 PolarHBondContact NE2-OG 3.4Å; L302-S306 VanDerWaalsContact O-CB 3.24Å; L302-S306 WeakPolarHBondContact O-CB 3.49Å; L302-S306 PolarHBondContact O-N 3.26Å; M303-S306 WeakPolarHBondContact O-CB 3.43Å; M303-S306 PolarHBondContact O-N 3.17Å; E304-S306 VanDerWaalsContact C-N 3.3Å; E304-S306 PolarHBondContact O-N 3.47Å; S306-C309 PolarHBondContact O-N 3.3Å; S306-S310 WeakPolarHBondContact O-CB 3.34Å; S306-S310 PolarHBondContact O-N 3.33Å; S306-S310 VanDerWaalsContact O-N 3.07Å; S306-S310 PolarHBondContact O-OG 2.93Å
307Q92.8Very high93.2Very high121 Ų12154.4 Ų54.457%0.56530%0.298SS*.Hα-helixtrans-62.5-45174-72.6172.41000111.2M303 E304 A305 C309 S310 M311M303-Q307 WeakPolarHBondContact O-CG 3.48Å; M303-Q307 PolarHBondContact O-N 2.98Å; E304-Q307 WeakPolarHBondContact O-CB 3.25Å; E304-Q307 PolarHBondContact O-N 3.47Å; A305-Q307 VanDerWaalsContact C-N 3.35Å; A305-Q307 PolarHBondContact O-N 3.48Å; Q307-C309 VanDerWaalsContact C-N 3.33Å; Q307-C309 PolarHBondContact O-N 3.43Å; Q307-S310 PolarHBondContact O-N 2.81Å; Q307-S310 VanDerWaalsContact O-N 3.14Å; Q307-M311 VanDerWaalsContact O-CG 3.28Å; Q307-M311 WeakPolarHBondContact O-CG 3.48Å; Q307-M311 PolarHBondContact O-N 2.88Å
308L93.3Very high93.2Very high88 Ų8854.7 Ų54.746%0.46130%0.3SS..Hα-helixtrans-58.1-43.7175.1-68.4170.2000112.1L285 E304 A305 S310 M311L285-L308 HydrophobicContact CD1-CB 4.35Å; E304-L308 PolarHBondContact O-N 3.2Å; E304-L308 VanDerWaalsContact O-N 3.09Å; A305-L308 PolarHBondContact O-N 3.31Å; L308-S310 VanDerWaalsContact C-N 3.29Å; L308-S310 PolarHBondContact O-N 3.02Å; L308-M311 HydrophobicContact CD2-CE 3.82Å
309C92.1Very high93Very high49 Ų4956.3 Ų56.333%0.33130%0.304SS..Hα-helixtrans-68.8-23.1178-690000114.3L285 A305 S306 Q307L285-C309 WeakPolarHBondContact CD1-SG 3.4Å; A305-C309 PolarHBondContact O-N 3.43Å; A305-C309 VanDerWaalsContact O-N 3.11Å; A305-C309 PolarHBondContact O-SG 3.3Å; S306-C309 PolarHBondContact O-N 3.3Å; Q307-C309 VanDerWaalsContact C-N 3.33Å; Q307-C309 PolarHBondContact O-N 3.43Å
310S90.9Very high92.9Very high54 Ų5458.8 Ų58.838%0.37833%0.331SS..THydrogen-bonded Turntrans-107.515.5-173.457.80000114.2K268 S306 Q307 L308K268-S310 PolarHBondContact NZ-OG 3.29Å; S306-S310 WeakPolarHBondContact O-CB 3.34Å; S306-S310 PolarHBondContact O-N 3.33Å; S306-S310 VanDerWaalsContact O-N 3.07Å; S306-S310 PolarHBondContact O-OG 2.93Å; Q307-S310 PolarHBondContact O-N 2.81Å; Q307-S310 VanDerWaalsContact O-N 3.14Å; L308-S310 VanDerWaalsContact C-N 3.29Å; L308-S310 PolarHBondContact O-N 3.02Å
311M88.8Confident92.9Very high101 Ų10154.5 Ų54.550%0.49831%0.309SS..  trans-68.6132174.4-64.8-171.1171.400111.5Q307 L308 S313Q307-M311 VanDerWaalsContact O-CG 3.28Å; Q307-M311 WeakPolarHBondContact O-CG 3.48Å; Q307-M311 PolarHBondContact O-N 2.88Å; L308-M311 HydrophobicContact CD2-CE 3.82Å; M311-S313 PolarHBondContact O-N 3.3Å
312D91.7Very high92.9Very high66 Ų6656.5 Ų56.535%0.35332%0.324SS..  trans-76.5112.5168.61793.7000109.6K314 A315 N316 Q410D312-K314 VanDerWaalsContact C-N 3.34Å; D312-K314 PolarHBondContact O-N 2.95Å; D312-K314 PolarHBondContact OD1-N 3.14Å; D312-A315 HydrophobicContact CB-CB 3.88Å; D312-A315 PolarHBondContact O-N 3.06Å; D312-N316 PolarHBondContact O-N 2.71Å; D312-N316 VanDerWaalsContact O-N 3.09Å; D312-Q410 PolarHBondContact OD2-NE2 2.88Å
313S92.1Very high92.8Very high90 Ų9058.5 Ų58.563%0.62934%0.336SS*.Hα-helixtrans-62.5-39.3-179.2-61.10000112.1M311 N316 I317M311-S313 PolarHBondContact O-N 3.3Å; S313-N316 PolarHBondContact O-N 2.78Å; S313-I317 WeakPolarHBondContact O-CG1 3.36Å; S313-I317 PolarHBondContact O-N 3.23Å
314K91.7Very high92.7Very high62 Ų6256.3 Ų56.327%0.2733%0.326SS..Hα-helixtrans-68.1-42.3-179.7-78-81.1-174.6150.30110.8D312 N316 I317 V318 E383 L384 L406D312-K314 VanDerWaalsContact C-N 3.34Å; D312-K314 PolarHBondContact O-N 2.95Å; D312-K314 PolarHBondContact OD1-N 3.14Å; K314-N316 VanDerWaalsContact C-N 3.31Å; K314-N316 PolarHBondContact O-N 2.87Å; K314-I317 PolarHBondContact O-N 3.49Å; K314-V318 WeakPolarHBondContact O-CG2 3.22Å; K314-V318 PolarHBondContact O-N 3.15Å; K314-E383 PolarHBondContact NZ-O 3.44Å; K314-L384 HydrophobicContact CD-CD2 3.82Å; K314-L406 HydrophobicContact CB-CD2 4.07Å; K314-L406 HydrophobicContact CD-CD2 4.04Å; K314-L406 HydrophobicContact CG-CD2 4.48Å
315A89Confident92.8Very high23 Ų2353.6 Ų53.619%0.1931%0.313CS..Hα-helixtrans-60.1-39.9174.300000112.5D312 V318 H319D312-A315 HydrophobicContact CB-CB 3.88Å; D312-A315 PolarHBondContact O-N 3.06Å; A315-V318 PolarHBondContact O-N 2.97Å; A315-H319 PolarHBondContact O-N 3.33Å
316N90.6Very high92.7Very high89 Ų8953.9 Ų53.948%0.47632%0.315SS..Hα-helixtrans-64.1-38.9175.8-72.7-13.8000112.4D312 S313 K314 H319D312-N316 PolarHBondContact O-N 2.71Å; D312-N316 VanDerWaalsContact O-N 3.09Å; S313-N316 PolarHBondContact O-N 2.78Å; K314-N316 VanDerWaalsContact C-N 3.31Å; K314-N316 PolarHBondContact O-N 2.87Å; N316-H319 PolarHBondContact O-N 3.48Å
317I94.2Very high92.6Very high82 Ų8253.6 Ų53.642%0.42131%0.313SS..Hα-helixtrans-64.2-45.8174.2-62.8-61.8000110.5S313 K314 H319 G320 L382 L384S313-I317 WeakPolarHBondContact O-CG1 3.36Å; S313-I317 PolarHBondContact O-N 3.23Å; K314-I317 PolarHBondContact O-N 3.49Å; I317-H319 VanDerWaalsContact C-N 3.27Å; I317-H319 PolarHBondContact O-N 2.94Å; I317-G320 PolarHBondContact O-N 2.93Å; I317-L382 HydrophobicContact CG2-CD1 4.27Å; I317-L384 HydrophobicContact CG2-CD1 4.21Å; I317-L384 HydrophobicContact CG2-CD2 4.29Å
318V93.2Very high92.8Very high9 Ų947.9 Ų47.96%0.05529%0.286CS..Hα-helixtrans-61.9-36179.8176.60000111.9K314 A315 G320 L321 L406 A414K314-V318 WeakPolarHBondContact O-CG2 3.22Å; K314-V318 PolarHBondContact O-N 3.15Å; A315-V318 PolarHBondContact O-N 2.97Å; V318-G320 PolarHBondContact O-N 3.39Å; V318-L321 HydrophobicContact CB-CD1 4.4Å; V318-L321 HydrophobicContact CG1-CD1 4.29Å; V318-L321 HydrophobicContact CG2-CD1 4.41Å; V318-L321 WeakPolarHBondContact O-CB 3.43Å; V318-L321 PolarHBondContact O-N 3.16Å; V318-L406 HydrophobicContact CG2-CD1 3.72Å; V318-L406 HydrophobicContact CG2-CD2 4.01Å; V318-A414 HydrophobicContact CB-CB 3.97Å; V318-A414 HydrophobicContact CG1-CB 3.51Å
319H90.6Very high93Very high82 Ų8243.8 Ų43.838%0.3827%0.265SS..Hα-helixtrans-60.5-26.3175.8-175.3-78.4000113.2A315 N316 I317 K417 P419A315-H319 PolarHBondContact O-N 3.33Å; N316-H319 PolarHBondContact O-N 3.48Å; I317-H319 VanDerWaalsContact C-N 3.27Å; I317-H319 PolarHBondContact O-N 2.94Å; H319-K417 PolarHBondContact CD2-O 3.1Å; H319-K417 PolarHBondContact NE2-O 3.44Å; H319-P419 WeakPolarHBondContact CE1-CG 3.33Å; H319-P419 WeakPolarHBondContact NE2-CD 3.42Å; H319-P419 WeakPolarHBondContact NE2-CG 3.39Å
320G93.1Very high93.1Very high67 Ų6741.5 Ų41.569%0.69125%0.249SC*.THydrogen-bonded Turntrans-90.4-4179.600000115.3I317 V318I317-G320 PolarHBondContact O-N 2.93Å; V318-G320 PolarHBondContact O-N 3.39Å
321L95.5Very high93.3Very high8 Ų838.9 Ų38.94%0.04223%0.231CC..SBendtrans-72.4159.4-178.8-64.6177.1000111.8V318 E325 V326 I329 L379 L382 L384 Y418V318-L321 HydrophobicContact CB-CD1 4.4Å; V318-L321 HydrophobicContact CG1-CD1 4.29Å; V318-L321 HydrophobicContact CG2-CD1 4.41Å; V318-L321 WeakPolarHBondContact O-CB 3.43Å; V318-L321 PolarHBondContact O-N 3.16Å; L321-E325 HydrophobicContact CB-CB 4.13Å; L321-E325 HydrophobicContact CD1-CB 4.5Å; L321-V326 HydrophobicContact CB-CG2 4.12Å; L321-I329 HydrophobicContact CD1-CD1 3.37Å; L321-L379 HydrophobicContact CD1-CD2 3.94Å; L321-L379 HydrophobicContact CD2-CD2 4.18Å; L321-L382 HydrophobicContact CD2-CD1 3.56Å; L321-L384 HydrophobicContact CD1-CD1 3.78Å; L321-L384 HydrophobicContact CD2-CD1 4.22Å; L321-Y418 VanDerWaalsContact O-CE2 3.3Å; L321-Y418 WeakPolarHBondContact O-CE2 3.38Å; L321-Y418 VanDerWaalsContact O-CZ 3.31Å; L321-Y418 PolarHBondContact O-OH 2.61Å
322S94.4Very high93.6Very high53 Ų5334.1 Ų34.137%0.37121%0.207SC..  trans-75160.5169.768.80000112.1L324 E325 V326S322-L324 PolarHBondContact O-N 3.17Å; S322-E325 VanDerWaalsContact CB-OE2 3.31Å; S322-E325 WeakPolarHBondContact CB-OE2 3.36Å; S322-E325 PolarHBondContact N-OE2 3.29Å; S322-E325 PolarHBondContact O-N 3.44Å; S322-E325 VanDerWaalsContact O-N 3.15Å; S322-E325 WeakPolarHBondContact OG-CG 3.19Å; S322-E325 PolarHBondContact OG-N 3.13Å; S322-E325 PolarHBondContact OG-OE2 3.05Å; S322-V326 WeakPolarHBondContact O-CG2 3.47Å; S322-V326 PolarHBondContact O-N 2.67Å
323V93.1Very high93.8Very high42 Ų4231.5 Ų31.526%0.25519%0.193SC..Hα-helixtrans-57.9-36.9177.2178.70000111.7V326 C327 Y365 Y418 P422 V425V323-V326 PolarHBondContact O-N 3.47Å; V323-C327 PolarHBondContact O-N 3.25Å; V323-C327 PolarHBondContact O-SG 2.89Å; V323-Y365 HydrophobicContact CG1-CE1 4.14Å; V323-Y418 HydrophobicContact CG2-CE1 4.24Å; V323-Y418 PolarHBondContact N-OH 3.09Å; V323-P422 HydrophobicContact CG1-CG 4.06Å; V323-P422 HydrophobicContact CG2-CG 4.45Å; V323-V425 HydrophobicContact CG1-CG2 4.15Å
324L94.2Very high93.9Very high20 Ų2027.8 Ų27.811%0.10517%0.166CC..Hα-helixtrans-61.6-46.1177.5175.857.7000111.5S322 V326 C327 L328 F353 F367 V371 V372 A375S322-L324 PolarHBondContact O-N 3.17Å; L324-V326 VanDerWaalsContact C-N 3.34Å; L324-C327 WeakPolarHBondContact O-CB 3.21Å; L324-C327 PolarHBondContact O-N 3.33Å; L324-L328 WeakPolarHBondContact O-CG 3.38Å; L324-L328 PolarHBondContact O-N 3.09Å; L324-F353 HydrophobicContact CD1-CE1 4.06Å; L324-F353 HydrophobicContact CD1-CE2 4.14Å; L324-F353 HydrophobicContact CD1-CZ 3.63Å; L324-F367 HydrophobicContact CB-CE2 4.45Å; L324-F367 HydrophobicContact CD1-CD2 3.84Å; L324-F367 HydrophobicContact CD1-CE2 4.3Å; L324-F367 HydrophobicContact CD2-CD2 4.12Å; L324-F367 HydrophobicContact CD2-CG 4.35Å; L324-F367 HydrophobicContact CG-CD2 4.44Å; L324-V371 HydrophobicContact CD2-CG1 4.07Å; L324-V372 HydrophobicContact CD1-CG2 4.32Å; L324-A375 HydrophobicContact CD2-CB 3.85Å; L324-A375 HydrophobicContact CG-CB 4.01Å
325E95.9Very high94Very high13 Ų1325.3 Ų25.36%0.06116%0.155CC..Hα-helixtrans-66.4-38.7178.9-69.1167.611600112L321 S322 C327 L328 I329 A375 H378 L379L321-E325 HydrophobicContact CB-CB 4.13Å; L321-E325 HydrophobicContact CD1-CB 4.5Å; S322-E325 VanDerWaalsContact CB-OE2 3.31Å; S322-E325 WeakPolarHBondContact CB-OE2 3.36Å; S322-E325 PolarHBondContact N-OE2 3.29Å; S322-E325 PolarHBondContact O-N 3.44Å; S322-E325 VanDerWaalsContact O-N 3.15Å; S322-E325 WeakPolarHBondContact OG-CG 3.19Å; S322-E325 PolarHBondContact OG-N 3.13Å; S322-E325 PolarHBondContact OG-OE2 3.05Å; E325-C327 VanDerWaalsContact C-N 3.31Å; E325-C327 PolarHBondContact O-N 3.28Å; E325-L328 PolarHBondContact O-N 3.24Å; E325-L328 VanDerWaalsContact O-N 3.17Å; E325-I329 WeakPolarHBondContact O-CG1 3.29Å; E325-I329 PolarHBondContact O-N 3.26Å; E325-A375 HydrophobicContact CG-CB 3.8Å; E325-H378 IonicContact OE1-CE1 3.62Å; E325-H378 IonicContact OE1-CG 2.77Å; E325-H378 IonicContact OE1-ND1 2.93Å; E325-H378 PolarHBondContact OE1-ND1 3.49Å; E325-L379 HydrophobicContact CB-CD2 4.05Å; E325-L379 HydrophobicContact CB-CG 4.36Å; E325-L379 HydrophobicContact CG-CD2 4.43Å; E325-L379 HydrophobicContact CG-CG 4.39Å
326V94.6Very high94.2Very high6 Ų624.5 Ų24.54%0.03615%0.148CC..Hα-helixtrans-60.8-42172.4172.60000110.7L321 S322 V323 L324 L328 I329 I330 L415 Y418 V425L321-V326 HydrophobicContact CB-CG2 4.12Å; S322-V326 WeakPolarHBondContact O-CG2 3.47Å; S322-V326 PolarHBondContact O-N 2.67Å; V323-V326 PolarHBondContact O-N 3.47Å; L324-V326 VanDerWaalsContact C-N 3.34Å; V326-L328 VanDerWaalsContact C-N 3.33Å; V326-L328 PolarHBondContact O-N 3.44Å; V326-I329 PolarHBondContact O-N 2.87Å; V326-I330 HydrophobicContact CG1-CD1 4.06Å; V326-I330 WeakPolarHBondContact O-CG1 3.42Å; V326-I330 PolarHBondContact O-N 3.43Å; V326-L415 HydrophobicContact CG1-CD2 3.36Å; V326-Y418 HydrophobicContact CG2-CD2 4.31Å; V326-Y418 HydrophobicContact CG2-CE2 3.85Å; V326-V425 HydrophobicContact CG1-CG1 4.24Å
327C93.7Very high94.3Very high1 Ų123 Ų231%0.00714%0.139CC..Hα-helixtrans-62-39.6173.7-72.30000112.4V323 L324 E325 I330 A331 F353 W428V323-C327 PolarHBondContact O-N 3.25Å; V323-C327 PolarHBondContact O-SG 2.89Å; L324-C327 WeakPolarHBondContact O-CB 3.21Å; L324-C327 PolarHBondContact O-N 3.33Å; E325-C327 VanDerWaalsContact C-N 3.31Å; E325-C327 PolarHBondContact O-N 3.28Å; C327-I330 PolarHBondContact O-N 3.01Å; C327-A331 PolarHBondContact O-N 3.32Å; C327-F353 HydrophobicContact CB-CD2 3.92Å; C327-F353 HydrophobicContact CB-CE2 3.74Å; C327-W428 HydrophobicContact CB-CZ3 3.99Å; C327-W428 VanDerWaalsContact O-CH2 3.32Å; C327-W428 WeakPolarHBondContact O-CH2 3.36Å; C327-W428 WeakPolarHBondContact O-CZ3 3.48Å
328L96.1Very high94.2Very high0 Ų023.7 Ų23.70%014%0.143CC..Hα-helixtrans-65.1-40.1175.1-64.9177.3000111.8L324 E325 V326 I330 A331 M332 V349 F353 V372 A375 F376 L379L324-L328 WeakPolarHBondContact O-CG 3.38Å; L324-L328 PolarHBondContact O-N 3.09Å; E325-L328 PolarHBondContact O-N 3.24Å; E325-L328 VanDerWaalsContact O-N 3.17Å; V326-L328 VanDerWaalsContact C-N 3.33Å; V326-L328 PolarHBondContact O-N 3.44Å; L328-I330 VanDerWaalsContact C-N 3.31Å; L328-I330 PolarHBondContact O-N 3.49Å; L328-A331 WeakPolarHBondContact O-CB 3.41Å; L328-A331 PolarHBondContact O-N 2.95Å; L328-M332 HydrophobicContact CB-CE 4.36Å; L328-M332 WeakPolarHBondContact O-CG 3.43Å; L328-M332 PolarHBondContact O-N 2.93Å; L328-V349 HydrophobicContact CB-CG1 4.35Å; L328-V349 HydrophobicContact CD2-CG1 3.81Å; L328-F353 HydrophobicContact CD2-CB 4.25Å; L328-F353 HydrophobicContact CD2-CG 4.26Å; L328-V372 HydrophobicContact CD1-CG1 3.96Å; L328-V372 HydrophobicContact CD2-CG1 3.58Å; L328-V372 HydrophobicContact CG-CG1 4.28Å; L328-A375 HydrophobicContact CD1-CB 3.81Å; L328-F376 HydrophobicContact CD1-CB 4.34Å; L328-L379 HydrophobicContact CB-CD1 4Å; L328-L379 HydrophobicContact CD1-CD1 4.43Å
329I96.6Very high94.1Very high3 Ų329 Ų292%0.01516%0.163CC..Hα-helixtrans-61.5-40.2173.8-69.5168.5000110.9L321 E325 V326 M332 K333 L379 L384 L406 I411L321-I329 HydrophobicContact CD1-CD1 3.37Å; E325-I329 WeakPolarHBondContact O-CG1 3.29Å; E325-I329 PolarHBondContact O-N 3.26Å; V326-I329 PolarHBondContact O-N 2.87Å; I329-M332 PolarHBondContact O-N 3.41Å; I329-K333 WeakPolarHBondContact O-CB 3.43Å; I329-K333 PolarHBondContact O-N 3.14Å; I329-L379 HydrophobicContact CD1-CD2 3.92Å; I329-L379 HydrophobicContact CG1-CD1 4.12Å; I329-L379 HydrophobicContact CG1-CD2 4.18Å; I329-L384 HydrophobicContact CD1-CD1 4.48Å; I329-L406 HydrophobicContact CD1-CD1 3.99Å; I329-L406 HydrophobicContact CG1-CD1 4.49Å; I329-L406 HydrophobicContact CG2-CD1 4.12Å; I329-I411 HydrophobicContact CG2-CD1 3.78Å; I329-I411 HydrophobicContact CG2-CG1 3.87Å; I329-I411 HydrophobicContact CG2-CG2 4.11Å
330I94.6Very high94.1Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-65.8-41.8176-65.8159.9000111.1V326 C327 L328 M332 K333 H334 L415 V425 W428 A429V326-I330 HydrophobicContact CG1-CD1 4.06Å; V326-I330 WeakPolarHBondContact O-CG1 3.42Å; V326-I330 PolarHBondContact O-N 3.43Å; C327-I330 PolarHBondContact O-N 3.01Å; L328-I330 VanDerWaalsContact C-N 3.31Å; L328-I330 PolarHBondContact O-N 3.49Å; I330-M332 VanDerWaalsContact C-N 3.35Å; I330-M332 PolarHBondContact O-N 3.31Å; I330-K333 WeakPolarHBondContact O-CB 3.48Å; I330-K333 PolarHBondContact O-N 3.3Å; I330-H334 PolarHBondContact O-N 3.49Å; I330-L415 HydrophobicContact CD1-CD1 4.21Å; I330-L415 HydrophobicContact CD1-CD2 4.2Å; I330-L415 HydrophobicContact CG1-CD1 4.24Å; I330-V425 HydrophobicContact CD1-CG1 3.39Å; I330-W428 HydrophobicContact CB-CE3 3.88Å; I330-W428 HydrophobicContact CB-CH2 4.15Å; I330-W428 HydrophobicContact CB-CZ3 3.63Å; I330-W428 HydrophobicContact CD1-CE3 4.18Å; I330-W428 HydrophobicContact CD1-CZ3 4.43Å; I330-W428 HydrophobicContact CG2-CD2 3.68Å; I330-W428 HydrophobicContact CG2-CE3 3.4Å; I330-W428 VanDerWaalsContact CG2-CE3 3.4Å; I330-W428 HydrophobicContact CG2-CG 4.41Å; I330-W428 HydrophobicContact CG2-CH2 3.95Å; I330-W428 HydrophobicContact CG2-CZ2 4.19Å; I330-W428 HydrophobicContact CG2-CZ3 3.56Å; I330-A429 HydrophobicContact CD1-CB 3.85Å; I330-A429 HydrophobicContact CG1-CB 3.95Å; I330-A429 HydrophobicContact CG2-CB 4.14Å
331A95.1Very high94Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-58.9-46172.800000111.5C327 L328 K333 H334 L335 V349 E352 W428C327-A331 PolarHBondContact O-N 3.32Å; L328-A331 WeakPolarHBondContact O-CB 3.41Å; L328-A331 PolarHBondContact O-N 2.95Å; A331-K333 VanDerWaalsContact C-N 3.34Å; A331-K333 PolarHBondContact O-N 2.97Å; A331-H334 PolarHBondContact O-N 3.04Å; A331-L335 WeakPolarHBondContact O-CG 3.24Å; A331-L335 PolarHBondContact O-N 3.49Å; A331-V349 HydrophobicContact CB-CG1 3.94Å; A331-E352 HydrophobicContact CB-CB 4.1Å; A331-E352 HydrophobicContact CB-CG 4.19Å; A331-W428 HydrophobicContact CB-CH2 3.84Å; A331-W428 HydrophobicContact CB-CZ2 4.33Å
332M96.4Very high93.8Very high0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-61.3-42.3176.5-66.2166.7-173.400111.9L328 I329 I330 L335 N336 F344 V349 F376 L379 I385 L404L328-M332 HydrophobicContact CB-CE 4.36Å; L328-M332 WeakPolarHBondContact O-CG 3.43Å; L328-M332 PolarHBondContact O-N 2.93Å; I329-M332 PolarHBondContact O-N 3.41Å; I330-M332 VanDerWaalsContact C-N 3.35Å; I330-M332 PolarHBondContact O-N 3.31Å; M332-L335 PolarHBondContact O-N 3.37Å; M332-N336 PolarHBondContact O-N 3.4Å; M332-F344 HydrophobicContact CB-CE1 3.9Å; M332-F344 HydrophobicContact CB-CE2 4.2Å; M332-F344 HydrophobicContact CB-CZ 3.65Å; M332-F344 HydrophobicContact CE-CE2 4.18Å; M332-F344 HydrophobicContact CG-CD2 4.22Å; M332-F344 HydrophobicContact CG-CE1 4.15Å; M332-F344 HydrophobicContact CG-CE2 3.52Å; M332-F344 HydrophobicContact CG-CZ 3.48Å; M332-F344 VanDerWaalsContact CG-CZ 3.48Å; M332-F344 HydrophobicContact SD-CE2 3.9Å; M332-F344 HydrophobicContact SD-CZ 3.86Å; M332-V349 HydrophobicContact CE-CG1 4.12Å; M332-V349 HydrophobicContact CE-CG2 4.33Å; M332-V349 HydrophobicContact CG-CG1 4.06Å; M332-V349 HydrophobicContact CG-CG2 3.72Å; M332-F376 HydrophobicContact CE-CD2 3.53Å; M332-F376 HydrophobicContact CE-CE2 3.47Å; M332-F376 VanDerWaalsContact CE-CE2 3.47Å; M332-L379 HydrophobicContact CE-CD1 3.93Å; M332-I385 HydrophobicContact CE-CD1 4.16Å; M332-I385 HydrophobicContact CE-CG2 3.98Å; M332-I385 HydrophobicContact SD-CG2 3.58Å; M332-I385 VanDerWaalsContact SD-CG2 3.58Å; M332-L404 HydrophobicContact CB-CD1 4.46Å; M332-L404 HydrophobicContact CB-CD2 4.05Å; M332-L404 HydrophobicContact SD-CD1 4Å
333K95.1Very high93.8Very high12 Ų1238.9 Ų38.95%0.05219%0.188CC..Hα-helixtrans-56.3-50.4173170.8-176.4179.3-530110.8I329 I330 A331 L335 N336 D337 N408 I411 S432I329-K333 WeakPolarHBondContact O-CB 3.43Å; I329-K333 PolarHBondContact O-N 3.14Å; I330-K333 WeakPolarHBondContact O-CB 3.48Å; I330-K333 PolarHBondContact O-N 3.3Å; A331-K333 VanDerWaalsContact C-N 3.34Å; A331-K333 PolarHBondContact O-N 2.97Å; K333-L335 VanDerWaalsContact C-N 3.3Å; K333-L335 PolarHBondContact O-N 2.83Å; K333-N336 WeakPolarHBondContact O-CB 3.4Å; K333-N336 PolarHBondContact O-N 3.2Å; K333-N336 VanDerWaalsContact O-N 3.17Å; K333-D337 WeakPolarHBondContact CG-OD2 3.37Å; K333-D337 IonicContact NZ-OD2 3.53Å; K333-D337 PolarHBondContact NZ-OD2 2.75Å; K333-D337 VanDerWaalsContact O-CG 3.23Å; K333-D337 PolarHBondContact O-N 2.88Å; K333-N408 WeakPolarHBondContact CG-OD1 3.47Å; K333-I411 HydrophobicContact CB-CD1 4.15Å; K333-I411 HydrophobicContact CD-CD1 4.48Å; K333-I411 HydrophobicContact CD-CG2 4.46Å; K333-S432 PolarHBondContact NZ-OG 3.07Å
334H93.4Very high93.9Very high12 Ų1237 Ų376%0.05618%0.176CC..Hα-helixtrans-62.1-39179.4-66.5172.7000112.1I330 A331 D337 I338 W428I330-H334 PolarHBondContact O-N 3.49Å; A331-H334 PolarHBondContact O-N 3.04Å; H334-D337 PolarHBondContact O-N 3.07Å; H334-I338 HydrophobicContact CB-CD1 4.48Å; H334-I338 WeakPolarHBondContact O-CB 3.47Å; H334-I338 WeakPolarHBondContact O-CD1 3.36Å; H334-I338 WeakPolarHBondContact O-CG1 3.39Å; H334-I338 PolarHBondContact O-N 3.26Å; H334-W428 AromaticContact CE1-CD1 3.67Å; H334-W428 AromaticContact CE1-CE2 3.61Å; H334-W428 AromaticContact CE1-NE1 3.35Å; H334-W428 PolarHBondContact CE1-NE1 2.68Å; H334-W428 VanDerWaalsContact CE1-NE1 3.35Å; H334-W428 PolarHBondContact CE1-O 3.21Å; H334-W428 VanDerWaalsContact CE1-O 3.29Å; H334-W428 AromaticContact ND1-CE2 3.7Å; H334-W428 AromaticContact ND1-CZ2 3.88Å; H334-W428 AromaticContact ND1-NE1 3.51Å; H334-W428 PolarHBondContact NE2-O 3.08Å
335L94.4Very high94Very high9 Ų937.3 Ų37.35%0.04718%0.178CC..Hα-helixtrans-62.5-43.4174.5-68.8173.5000111.5A331 M332 K333 D337 I338 Y339 F344 M348 V349 E352A331-L335 WeakPolarHBondContact O-CG 3.24Å; A331-L335 PolarHBondContact O-N 3.49Å; M332-L335 PolarHBondContact O-N 3.37Å; K333-L335 VanDerWaalsContact C-N 3.3Å; K333-L335 PolarHBondContact O-N 2.83Å; L335-D337 VanDerWaalsContact C-N 3.33Å; L335-D337 PolarHBondContact O-N 2.96Å; L335-I338 PolarHBondContact O-N 3.36Å; L335-Y339 HydrophobicContact CB-CD2 4.47Å; L335-Y339 HydrophobicContact CD2-CD2 4Å; L335-Y339 HydrophobicContact CD2-CE2 3.7Å; L335-Y339 WeakPolarHBondContact O-CB 3.45Å; L335-Y339 WeakPolarHBondContact O-CD2 3.36Å; L335-Y339 PolarHBondContact O-N 2.98Å; L335-F344 HydrophobicContact CB-CD1 4.47Å; L335-F344 HydrophobicContact CD1-CB 3.88Å; L335-F344 HydrophobicContact CD1-CG 4.26Å; L335-M348 HydrophobicContact CD1-CB 3.97Å; L335-V349 HydrophobicContact CD1-CB 4.4Å; L335-V349 HydrophobicContact CD1-CG2 3.72Å; L335-E352 HydrophobicContact CD2-CB 4.47Å
336N94.2Very high94Very high6 Ų636.7 Ų36.73%0.03218%0.175CC..Hα-helixtrans-62-39.4174.9-84.318.3000112.3M332 K333 E340 E341 F344M332-N336 PolarHBondContact O-N 3.4Å; K333-N336 WeakPolarHBondContact O-CB 3.4Å; K333-N336 PolarHBondContact O-N 3.2Å; K333-N336 VanDerWaalsContact O-N 3.17Å; N336-E340 WeakPolarHBondContact O-CA 3.44Å; N336-E340 PolarHBondContact O-N 3.26Å; N336-E341 PolarHBondContact ND2-OE2 3.17Å; N336-E341 VanDerWaalsContact ND2-OE2 3.08Å; N336-E341 PolarHBondContact O-N 3.07Å; N336-F344 WeakPolarHBondContact OD1-CE1 3.43Å
337D92.4Very high94.1Very high57 Ų5738.6 Ų38.631%0.30518%0.184SC..Hα-helixtrans-72.3-36.8179.3-61.5-37.2000112.1K333 H334 L335 N408 S432K333-D337 WeakPolarHBondContact CG-OD2 3.37Å; K333-D337 IonicContact NZ-OD2 3.53Å; K333-D337 PolarHBondContact NZ-OD2 2.75Å; K333-D337 VanDerWaalsContact O-CG 3.23Å; K333-D337 PolarHBondContact O-N 2.88Å; H334-D337 PolarHBondContact O-N 3.07Å; L335-D337 VanDerWaalsContact C-N 3.33Å; L335-D337 PolarHBondContact O-N 2.96Å; D337-N408 PolarHBondContact OD1-ND2 3.09Å; D337-N408 VanDerWaalsContact OD1-ND2 3.09Å; D337-S432 PolarHBondContact OD2-OG 3.21Å
338I92.1Very high94.2Very high97 Ų9741.7 Ų41.750%0.49720%0.199SC..Hα-helixtrans-76.7-41.8-179.1-68.6164.6000111.5H334 L335H334-I338 HydrophobicContact CB-CD1 4.48Å; H334-I338 WeakPolarHBondContact O-CB 3.47Å; H334-I338 WeakPolarHBondContact O-CD1 3.36Å; H334-I338 WeakPolarHBondContact O-CG1 3.39Å; H334-I338 PolarHBondContact O-N 3.26Å; L335-I338 PolarHBondContact O-N 3.36Å
339Y91.6Very high94.2Very high121 Ų12141.7 Ų41.748%0.47520%0.199SC..THydrogen-bonded Turntrans-105.520.4-174.7-61.2-76.9000112.6L335 E341 E342 M348L335-Y339 HydrophobicContact CB-CD2 4.47Å; L335-Y339 HydrophobicContact CD2-CD2 4Å; L335-Y339 HydrophobicContact CD2-CE2 3.7Å; L335-Y339 WeakPolarHBondContact O-CB 3.45Å; L335-Y339 WeakPolarHBondContact O-CD2 3.36Å; L335-Y339 PolarHBondContact O-N 2.98Å; Y339-E341 PolarHBondContact O-N 3.49Å; Y339-E342 VanDerWaalsContact O-CB 3.29Å; Y339-E342 WeakPolarHBondContact O-CB 3.4Å; Y339-E342 WeakPolarHBondContact O-CG 3.33Å; Y339-E342 PolarHBondContact O-N 3.46Å; Y339-M348 HydrophobicContact CE2-CE 4.41Å
340E90.3Very high94.1Very high169 Ų16943.2 Ų43.279%0.7921%0.205SC*.THydrogen-bonded Turntrans51.356.5171.6-57.8-178.7165.400114N336 E342N336-E340 WeakPolarHBondContact O-CA 3.44Å; N336-E340 PolarHBondContact O-N 3.26Å; E340-E342 PolarHBondContact O-N 3.27Å
341E89.4Confident94.1Very high92 Ų9247 Ų4743%0.4323%0.225SC..THydrogen-bonded Turntrans66.113.7177.6-64.2-71.815800116.2N336 Y339N336-E341 PolarHBondContact ND2-OE2 3.17Å; N336-E341 VanDerWaalsContact ND2-OE2 3.08Å; N336-E341 PolarHBondContact O-N 3.07Å; Y339-E341 PolarHBondContact O-N 3.49Å
342E93Very high94Very high126 Ų12647.9 Ų47.959%0.58923%0.229SC*.  trans-64.6145.1169.4-72.8-65.4145.400112Y339 E340Y339-E342 VanDerWaalsContact O-CB 3.29Å; Y339-E342 WeakPolarHBondContact O-CB 3.4Å; Y339-E342 WeakPolarHBondContact O-CG 3.33Å; Y339-E342 PolarHBondContact O-N 3.46Å; E340-E342 PolarHBondContact O-N 3.27Å
343P94.3Very high93.8Very high30 Ų3048 Ų4820%0.19523%0.229CC..  trans-67.9151.4-179.428.8-32.8000112.2M388 L401 M402P343-M388 HydrophobicContact CB-CE 3.74Å; P343-M388 HydrophobicContact CB-CG 3.87Å; P343-M388 HydrophobicContact CG-CE 4.14Å; P343-M388 HydrophobicContact CG-CG 4.37Å; P343-L401 HydrophobicContact CB-CB 4.19Å; P343-L401 HydrophobicContact CB-CD2 4.45Å; P343-L401 HydrophobicContact CG-CD1 4.38Å; P343-L401 HydrophobicContact CG-CD2 4.49Å; P343-M402 WeakPolarHBondContact CA-O 3.17Å; P343-M402 WeakPolarHBondContact CB-O 3.26Å
344F95.5Very high93.6Very high2 Ų248.7 Ų48.71%0.00923%0.233CC..BIsolated β-bridgetrans-121.5155.1179.950.2-101.1000111.2M332 L335 N336 M348 V349 M402 L404M332-F344 HydrophobicContact CB-CE1 3.9Å; M332-F344 HydrophobicContact CB-CE2 4.2Å; M332-F344 HydrophobicContact CB-CZ 3.65Å; M332-F344 HydrophobicContact CE-CE2 4.18Å; M332-F344 HydrophobicContact CG-CD2 4.22Å; M332-F344 HydrophobicContact CG-CE1 4.15Å; M332-F344 HydrophobicContact CG-CE2 3.52Å; M332-F344 HydrophobicContact CG-CZ 3.48Å; M332-F344 VanDerWaalsContact CG-CZ 3.48Å; M332-F344 HydrophobicContact SD-CE2 3.9Å; M332-F344 HydrophobicContact SD-CZ 3.86Å; L335-F344 HydrophobicContact CB-CD1 4.47Å; L335-F344 HydrophobicContact CD1-CB 3.88Å; L335-F344 HydrophobicContact CD1-CG 4.26Å; N336-F344 WeakPolarHBondContact OD1-CE1 3.43Å; F344-M348 HydrophobicContact CB-CB 4.49Å; F344-M348 HydrophobicContact CB-SD 4.4Å; F344-V349 HydrophobicContact CB-CG2 4.39Å; F344-V349 HydrophobicContact CD2-CG2 3.48Å; F344-V349 VanDerWaalsContact CD2-CG2 3.48Å; F344-V349 HydrophobicContact CE2-CG2 4.02Å; F344-V349 HydrophobicContact CG-CG2 4.07Å; F344-M402 HydrophobicContact CD2-CB 4.39Å; F344-M402 HydrophobicContact CE2-CB 4.12Å; F344-M402 PolarHBondContact N-O 3.37Å; F344-M402 PolarHBondContact O-N 3.08Å; F344-L404 HydrophobicContact CE1-CB 4.07Å; F344-L404 HydrophobicContact CZ-CB 3.93Å
345N95Very high93.4Very high27 Ų2752.4 Ų52.414%0.14425%0.249CC..  trans-106.4173.4168.865.930.1000111.1Q347 M348 V349 Q400 L401N345-Q347 VanDerWaalsContact C-N 3.26Å; N345-Q347 PolarHBondContact O-N 3.22Å; N345-Q347 PolarHBondContact OD1-N 2.88Å; N345-Q347 VanDerWaalsContact OD1-N 3.14Å; N345-M348 PolarHBondContact O-N 3.44Å; N345-M348 WeakPolarHBondContact OD1-CG 3.42Å; N345-M348 PolarHBondContact OD1-N 3.45Å; N345-V349 PolarHBondContact O-N 3.4Å; N345-Q400 WeakPolarHBondContact CA-O 3.24Å; N345-Q400 WeakPolarHBondContact CB-O 3.29Å; N345-L401 HydrophobicContact CB-CD2 4.41Å
346F96.6Very high93Very high0 Ų052.4 Ų52.40%025%0.249CC..Hα-helixtrans-58.5-38.6-179.7171.6-111.9000112.2M348 V349 Y350 K369 V372 M373 F376 E398F346-M348 PolarHBondContact O-N 3.32Å; F346-V349 PolarHBondContact O-N 2.95Å; F346-Y350 HydrophobicContact CZ-CD2 4.03Å; F346-Y350 HydrophobicContact CZ-CG 4.41Å; F346-Y350 VanDerWaalsContact O-CB 3.29Å; F346-Y350 WeakPolarHBondContact O-CB 3.36Å; F346-Y350 PolarHBondContact O-N 2.84Å; F346-K369 HydrophobicContact CE1-CD 4.41Å; F346-K369 VanDerWaalsContact CE1-CE 3.49Å; F346-K369 HydrophobicContact CE1-CG 4.01Å; F346-K369 HydrophobicContact CZ-CG 4.19Å; F346-V372 HydrophobicContact CE2-CB 4.49Å; F346-V372 HydrophobicContact CE2-CG1 4.1Å; F346-V372 HydrophobicContact CZ-CB 4.41Å; F346-V372 HydrophobicContact CZ-CG1 4.42Å; F346-M373 HydrophobicContact CB-SD 4.25Å; F346-M373 HydrophobicContact CD1-SD 3.57Å; F346-M373 VanDerWaalsContact CD1-SD 3.57Å; F346-M373 HydrophobicContact CD2-SD 3.69Å; F346-M373 HydrophobicContact CE1-CB 4.11Å; F346-M373 HydrophobicContact CE1-CG 4.41Å; F346-M373 HydrophobicContact CE1-SD 3.68Å; F346-M373 HydrophobicContact CE2-CB 4.14Å; F346-M373 HydrophobicContact CE2-SD 3.83Å; F346-M373 HydrophobicContact CG-SD 3.55Å; F346-M373 VanDerWaalsContact CG-SD 3.55Å; F346-M373 HydrophobicContact CZ-CB 3.69Å; F346-M373 HydrophobicContact CZ-CG 4.35Å; F346-M373 HydrophobicContact CZ-SD 3.83Å; F346-F376 HydrophobicContact CB-CD1 4.46Å; F346-F376 HydrophobicContact CB-CE1 4.26Å; F346-F376 HydrophobicContact CB-CE2 4.33Å; F346-F376 HydrophobicContact CB-CZ 4.18Å; F346-F376 HydrophobicContact CD2-CB 3.81Å; F346-F376 HydrophobicContact CD2-CD1 4.2Å; F346-F376 AromaticContact CD2-CD2 3.74Å; F346-F376 HydrophobicContact CD2-CD2 3.74Å; F346-F376 HydrophobicContact CD2-CE2 4.28Å; F346-F376 AromaticContact CD2-CG 3.67Å; F346-F376 HydrophobicContact CD2-CG 3.67Å; F346-F376 HydrophobicContact CE2-CB 4Å; F346-F376 HydrophobicContact CE2-CG 4.36Å; F346-E398 WeakPolarHBondContact CB-O 3.34Å; F346-E398 HydrophobicContact CD1-CB 4.09Å; F346-E398 HydrophobicContact CD1-CG 3.94Å; F346-E398 HydrophobicContact CE1-CG 4.49Å; F346-E398 PolarHBondContact N-O 2.92Å
347Q95.9Very high92.6Very high47 Ų4753 Ų5322%0.2225%0.252CS..Hα-helixtrans-65.1-38.3-177.5-169.16242.800112.3N345 N351N345-Q347 VanDerWaalsContact C-N 3.26Å; N345-Q347 PolarHBondContact O-N 3.22Å; N345-Q347 PolarHBondContact OD1-N 2.88Å; N345-Q347 VanDerWaalsContact OD1-N 3.14Å; Q347-N351 PolarHBondContact NE2-OD1 3.4Å; Q347-N351 WeakPolarHBondContact O-CB 3.5Å; Q347-N351 PolarHBondContact O-N 3.25Å; Q347-N351 PolarHBondContact O-ND2 2.91Å; Q347-N351 PolarHBondContact O-OD1 3.37Å
348M95.6Very high92.1Very high65 Ų6557.3 Ų57.332%0.3227%0.271SS..Hα-helixtrans-64.1-46.5175.3-66.117188.500111.2L335 Y339 F344 N345 F346 N351 E352L335-M348 HydrophobicContact CD1-CB 3.97Å; Y339-M348 HydrophobicContact CE2-CE 4.41Å; F344-M348 HydrophobicContact CB-CB 4.49Å; F344-M348 HydrophobicContact CB-SD 4.4Å; N345-M348 PolarHBondContact O-N 3.44Å; N345-M348 WeakPolarHBondContact OD1-CG 3.42Å; N345-M348 PolarHBondContact OD1-N 3.45Å; F346-M348 PolarHBondContact O-N 3.32Å; M348-N351 PolarHBondContact O-N 2.96Å; M348-E352 PolarHBondContact O-N 3.31Å
349V96.6Very high91.2Very high0 Ų060.8 Ų60.80%028%0.278CS..Hα-helixtrans-63.2-44.3177.8178.80000110.9L328 A331 M332 L335 F344 N345 F346 N351 E352 F353 F376L328-V349 HydrophobicContact CB-CG1 4.35Å; L328-V349 HydrophobicContact CD2-CG1 3.81Å; A331-V349 HydrophobicContact CB-CG1 3.94Å; M332-V349 HydrophobicContact CE-CG1 4.12Å; M332-V349 HydrophobicContact CE-CG2 4.33Å; M332-V349 HydrophobicContact CG-CG1 4.06Å; M332-V349 HydrophobicContact CG-CG2 3.72Å; L335-V349 HydrophobicContact CD1-CB 4.4Å; L335-V349 HydrophobicContact CD1-CG2 3.72Å; F344-V349 HydrophobicContact CB-CG2 4.39Å; F344-V349 HydrophobicContact CD2-CG2 3.48Å; F344-V349 VanDerWaalsContact CD2-CG2 3.48Å; F344-V349 HydrophobicContact CE2-CG2 4.02Å; F344-V349 HydrophobicContact CG-CG2 4.07Å; N345-V349 PolarHBondContact O-N 3.4Å; F346-V349 PolarHBondContact O-N 2.95Å; V349-N351 PolarHBondContact O-N 3.03Å; V349-E352 PolarHBondContact O-N 2.87Å; V349-F353 WeakPolarHBondContact O-CB 3.4Å; V349-F353 PolarHBondContact O-N 3.5Å; V349-F376 HydrophobicContact CB-CE2 4.47Å; V349-F376 HydrophobicContact CG2-CE2 4.2Å
350Y95.7Very high89.9Confident35 Ų3557.8 Ų57.814%0.13727%0.267CS..Hα-helixtrans-62.1-42.7177.5-175-98.7000111.5F346 F353 Q354 K369 V372F346-Y350 HydrophobicContact CZ-CD2 4.03Å; F346-Y350 HydrophobicContact CZ-CG 4.41Å; F346-Y350 VanDerWaalsContact O-CB 3.29Å; F346-Y350 WeakPolarHBondContact O-CB 3.36Å; F346-Y350 PolarHBondContact O-N 2.84Å; Y350-F353 PolarHBondContact O-N 3.35Å; Y350-Q354 HydrophobicContact CD1-CG 3.96Å; Y350-Q354 HydrophobicContact CE1-CG 3.62Å; Y350-Q354 HydrophobicContact CE2-CG 4.45Å; Y350-Q354 WeakPolarHBondContact O-CB 3.2Å; Y350-Q354 WeakPolarHBondContact O-CG 3.36Å; Y350-Q354 PolarHBondContact O-N 3.34Å; Y350-Q354 PolarHBondContact OH-NE2 3.44Å; Y350-Q354 VanDerWaalsContact OH-NE2 3.11Å; Y350-K369 HydrophobicContact CD2-CG 4.4Å; Y350-K369 HydrophobicContact CE1-CG 4.49Å; Y350-K369 HydrophobicContact CE2-CB 4.04Å; Y350-K369 HydrophobicContact CE2-CG 4.03Å; Y350-V372 HydrophobicContact CD2-CB 4.04Å; Y350-V372 HydrophobicContact CD2-CG1 3.86Å; Y350-V372 HydrophobicContact CD2-CG2 4.35Å; Y350-V372 HydrophobicContact CE2-CB 4.05Å; Y350-V372 HydrophobicContact CE2-CG1 4.31Å; Y350-V372 HydrophobicContact CE2-CG2 3.95Å
351N94.1Very high87.8Confident79 Ų7954.7 Ų54.742%0.42227%0.27SS..Hα-helixtrans-62.7-42.7176.7-71.7-8000111.7Q347 M348 V349 Q354 K355Q347-N351 PolarHBondContact NE2-OD1 3.4Å; Q347-N351 WeakPolarHBondContact O-CB 3.5Å; Q347-N351 PolarHBondContact O-N 3.25Å; Q347-N351 PolarHBondContact O-ND2 2.91Å; Q347-N351 PolarHBondContact O-OD1 3.37Å; M348-N351 PolarHBondContact O-N 2.96Å; V349-N351 PolarHBondContact O-N 3.03Å; N351-Q354 PolarHBondContact O-N 3.48Å; N351-K355 WeakPolarHBondContact O-CG 3.49Å; N351-K355 PolarHBondContact O-N 3.48Å
352E92.1Very high86.2Confident20 Ų2056.2 Ų56.29%0.09328%0.277CS..Hα-helixtrans-67.9-40.1178.2-167.256.8-146.300111.9A331 L335 M348 V349 Q354 K355 F356A331-E352 HydrophobicContact CB-CB 4.1Å; A331-E352 HydrophobicContact CB-CG 4.19Å; L335-E352 HydrophobicContact CD2-CB 4.47Å; M348-E352 PolarHBondContact O-N 3.31Å; V349-E352 PolarHBondContact O-N 2.87Å; E352-Q354 VanDerWaalsContact C-N 3.34Å; E352-Q354 PolarHBondContact O-N 3.31Å; E352-K355 WeakPolarHBondContact O-CB 3.33Å; E352-K355 PolarHBondContact O-N 3.33Å; E352-K355 WeakPolarHBondContact OE2-CD 3.43Å; E352-K355 WeakPolarHBondContact OE2-CE 3.45Å; E352-K355 IonicContact OE2-NZ 3.65Å; E352-K355 PolarHBondContact OE2-NZ 2.99Å; E352-F356 PolarHBondContact O-N 2.92Å
353F92.6Very high84.6Confident1 Ų155.1 Ų55.10%0.00428%0.283CS..Hα-helixtrans-61.2-41.3171.2174.4-113.3000112.1L324 C327 L328 V349 Y350 K355 F356 V357 Y365 V372L324-F353 HydrophobicContact CD1-CE1 4.06Å; L324-F353 HydrophobicContact CD1-CE2 4.14Å; L324-F353 HydrophobicContact CD1-CZ 3.63Å; C327-F353 HydrophobicContact CB-CD2 3.92Å; C327-F353 HydrophobicContact CB-CE2 3.74Å; L328-F353 HydrophobicContact CD2-CB 4.25Å; L328-F353 HydrophobicContact CD2-CG 4.26Å; V349-F353 WeakPolarHBondContact O-CB 3.4Å; V349-F353 PolarHBondContact O-N 3.5Å; Y350-F353 PolarHBondContact O-N 3.35Å; F353-K355 VanDerWaalsContact C-N 3.34Å; F353-K355 PolarHBondContact O-N 3.23Å; F353-F356 HydrophobicContact CD2-CD1 4.45Å; F353-F356 HydrophobicContact CE2-CD1 4.36Å; F353-F356 WeakPolarHBondContact O-CB 3.49Å; F353-F356 PolarHBondContact O-N 2.91Å; F353-F356 VanDerWaalsContact O-N 3.12Å; F353-V357 HydrophobicContact CD1-CG2 4.45Å; F353-V357 HydrophobicContact CD2-CG2 4.4Å; F353-V357 HydrophobicContact CE1-CG2 3.96Å; F353-V357 HydrophobicContact CE2-CG2 3.91Å; F353-V357 HydrophobicContact CZ-CG2 3.67Å; F353-V357 WeakPolarHBondContact O-CG2 3.43Å; F353-V357 PolarHBondContact O-N 3.25Å; F353-V357 VanDerWaalsContact O-N 3.1Å; F353-Y365 WeakPolarHBondContact CZ-O 3.47Å; F353-V372 HydrophobicContact CD1-CG1 4.37Å; F353-V372 HydrophobicContact CE1-CG2 4.1Å
354Q90.7Very high83.3Confident27 Ų2758.5 Ų58.513%0.12630%0.303CS..Hα-helixtrans-63.8-36.8176.4-76.3-68-31.100112.4Y350 N351 E352 F356 V357 Q358Y350-Q354 HydrophobicContact CD1-CG 3.96Å; Y350-Q354 HydrophobicContact CE1-CG 3.62Å; Y350-Q354 HydrophobicContact CE2-CG 4.45Å; Y350-Q354 WeakPolarHBondContact O-CB 3.2Å; Y350-Q354 WeakPolarHBondContact O-CG 3.36Å; Y350-Q354 PolarHBondContact O-N 3.34Å; Y350-Q354 PolarHBondContact OH-NE2 3.44Å; Y350-Q354 VanDerWaalsContact OH-NE2 3.11Å; N351-Q354 PolarHBondContact O-N 3.48Å; E352-Q354 VanDerWaalsContact C-N 3.34Å; E352-Q354 PolarHBondContact O-N 3.31Å; Q354-F356 PolarHBondContact O-N 2.84Å; Q354-V357 PolarHBondContact O-N 3.1Å; Q354-Q358 WeakPolarHBondContact O-CB 3.39Å; Q354-Q358 VanDerWaalsContact O-CG 3.25Å; Q354-Q358 WeakPolarHBondContact O-CG 3.25Å; Q354-Q358 PolarHBondContact O-N 3.12Å
355K88.7Confident82.4Confident91 Ų9160.4 Ų60.440%0.39631%0.31SS..Hα-helixtrans-59.2-37.2172.8-68.9177.8-164.71620111.9N351 E352 F353 R359N351-K355 WeakPolarHBondContact O-CG 3.49Å; N351-K355 PolarHBondContact O-N 3.48Å; E352-K355 WeakPolarHBondContact O-CB 3.33Å; E352-K355 PolarHBondContact O-N 3.33Å; E352-K355 WeakPolarHBondContact OE2-CD 3.43Å; E352-K355 WeakPolarHBondContact OE2-CE 3.45Å; E352-K355 IonicContact OE2-NZ 3.65Å; E352-K355 PolarHBondContact OE2-NZ 2.99Å; F353-K355 VanDerWaalsContact C-N 3.34Å; F353-K355 PolarHBondContact O-N 3.23Å; K355-R359 WeakPolarHBondContact O-CB 3.37Å; K355-R359 WeakPolarHBondContact O-CD 3.32Å; K355-R359 WeakPolarHBondContact O-CG 3.21Å; K355-R359 PolarHBondContact O-N 3.28Å
356F86.8Confident81.9Confident8 Ų864.1 Ų64.14%0.03533%0.33CS..Hα-helixtrans-66.3-48.5175.1167.2-107.2000111.9E352 F353 Q354 Q358 R359 K360 Y365 D424 V425 W428E352-F356 PolarHBondContact O-N 2.92Å; F353-F356 HydrophobicContact CD2-CD1 4.45Å; F353-F356 HydrophobicContact CE2-CD1 4.36Å; F353-F356 WeakPolarHBondContact O-CB 3.49Å; F353-F356 PolarHBondContact O-N 2.91Å; F353-F356 VanDerWaalsContact O-N 3.12Å; Q354-F356 PolarHBondContact O-N 2.84Å; F356-Q358 PolarHBondContact O-N 2.93Å; F356-R359 PolarHBondContact O-N 3.28Å; F356-K360 HydrophobicContact CE2-CD 3.98Å; F356-K360 PolarHBondContact O-N 3.48Å; F356-Y365 HydrophobicContact CE1-CD2 4.25Å; F356-D424 HydrophobicContact CZ-CB 4.39Å; F356-V425 HydrophobicContact CZ-CG2 4.27Å; F356-W428 HydrophobicContact CB-CD2 4.03Å; F356-W428 HydrophobicContact CB-CE3 4.39Å; F356-W428 HydrophobicContact CB-CH2 4.14Å; F356-W428 HydrophobicContact CB-CZ2 3.76Å; F356-W428 HydrophobicContact CB-CZ3 4.43Å; F356-W428 HydrophobicContact CD1-CD2 4.48Å; F356-W428 HydrophobicContact CD1-CE3 4.16Å; F356-W428 HydrophobicContact CD1-CZ3 4.24Å; F356-W428 HydrophobicContact CD2-CB 3.78Å; F356-W428 AromaticContact CD2-CD1 3.84Å; F356-W428 AromaticContact CD2-CD2 3.48Å; F356-W428 HydrophobicContact CD2-CD2 3.48Å; F356-W428 VanDerWaalsContact CD2-CD2 3.48Å; F356-W428 AromaticContact CD2-CE2 3.99Å; F356-W428 AromaticContact CD2-CE3 3.87Å; F356-W428 HydrophobicContact CD2-CE3 3.87Å; F356-W428 AromaticContact CD2-CG 3.42Å; F356-W428 HydrophobicContact CD2-CG 3.42Å; F356-W428 VanDerWaalsContact CD2-CG 3.42Å; F356-W428 HydrophobicContact CE1-CE3 4.42Å; F356-W428 HydrophobicContact CE2-CB 3.64Å; F356-W428 HydrophobicContact CE2-CD2 4.03Å; F356-W428 HydrophobicContact CE2-CE3 4.15Å; F356-W428 AromaticContact CE2-CG 3.82Å; F356-W428 HydrophobicContact CE2-CG 3.82Å; F356-W428 AromaticContact CG-CD2 3.74Å; F356-W428 HydrophobicContact CG-CD2 3.74Å; F356-W428 AromaticContact CG-CE2 3.95Å; F356-W428 AromaticContact CG-CE3 3.87Å; F356-W428 HydrophobicContact CG-CE3 3.87Å; F356-W428 HydrophobicContact CG-CG 4.17Å; F356-W428 HydrophobicContact CG-CH2 4.39Å; F356-W428 HydrophobicContact CG-CZ2 4.3Å; F356-W428 HydrophobicContact CG-CZ3 4.18Å; F356-W428 HydrophobicContact CZ-CE3 4.41Å
357V85.9Confident81.5Confident18 Ų1867.8 Ų67.811%0.10935%0.346CS..Hα-helixtrans-64.6-40.4-178.7178.50000112.1F353 Q354 R359 N366F353-V357 HydrophobicContact CD1-CG2 4.45Å; F353-V357 HydrophobicContact CD2-CG2 4.4Å; F353-V357 HydrophobicContact CE1-CG2 3.96Å; F353-V357 HydrophobicContact CE2-CG2 3.91Å; F353-V357 HydrophobicContact CZ-CG2 3.67Å; F353-V357 WeakPolarHBondContact O-CG2 3.43Å; F353-V357 PolarHBondContact O-N 3.25Å; F353-V357 VanDerWaalsContact O-N 3.1Å; Q354-V357 PolarHBondContact O-N 3.1Å; V357-R359 PolarHBondContact O-N 2.84Å; V357-N366 HydrophobicContact CG1-CB 3.91Å
358Q82.1Confident81.2Confident149 Ų14972.4 Ų72.470%0.69637%0.368SS*.Hα-helixtrans-71.3-29.6-177.6-70.7172.212.400113.4Q354 F356Q354-Q358 WeakPolarHBondContact O-CB 3.39Å; Q354-Q358 VanDerWaalsContact O-CG 3.25Å; Q354-Q358 WeakPolarHBondContact O-CG 3.25Å; Q354-Q358 PolarHBondContact O-N 3.12Å; F356-Q358 PolarHBondContact O-N 2.93Å
359R72.3Confident81.1Confident169 Ų16972.1 Ų72.164%0.63837%0.365SS*.Hα-helixtrans-80-27.8-177.5-74.3174.6-177.5-174.2-0.5113.3K355 F356 V357K355-R359 WeakPolarHBondContact O-CB 3.37Å; K355-R359 WeakPolarHBondContact O-CD 3.32Å; K355-R359 WeakPolarHBondContact O-CG 3.21Å; K355-R359 PolarHBondContact O-N 3.28Å; F356-R359 PolarHBondContact O-N 3.28Å; V357-R359 PolarHBondContact O-N 2.84Å
360K64.6Low81Confident59 Ų5976.5 Ų76.526%0.25739%0.394SS..SBendtrans-102.8111.7179.4-67.1-163.1170.5-166.20109.3F356 H362 D424F356-K360 HydrophobicContact CE2-CD 3.98Å; F356-K360 PolarHBondContact O-N 3.48Å; K360-H362 PolarHBondContact O-N 3.28Å; K360-D424 HydrophobicContact CD-CB 3.92Å; K360-D424 VanDerWaalsContact NZ-CA 3.29Å; K360-D424 PolarHBondContact NZ-O 3.04Å; K360-D424 IonicContact NZ-OD1 2.87Å; K360-D424 PolarHBondContact NZ-OD1 2.76Å
361A46.6Very low81Confident103 Ų10378 Ų7885%0.85141%0.406SS*.SBendtrans-61.17.7-173.600000116.2
362H56.4Low81.1Confident125 Ų12574.2 Ų74.258%0.57939%0.386SS*.  trans-98.2105.5175.9-59.8-42.4000109.6K360 V364K360-H362 PolarHBondContact O-N 3.28Å; H362-V364 HydrophobicContact CB-CG2 4.35Å; H362-V364 PolarHBondContact O-N 2.94Å
363S59.2Low81.3Confident102 Ų10274.3 Ų74.371%0.71339%0.387SS*.G310 helixtrans-61.14.6-176.253.50000116.6Y365 N366S363-Y365 VanDerWaalsContact C-N 3.27Å; S363-Y365 PolarHBondContact O-N 3.04Å; S363-N366 PolarHBondContact O-N 3.24Å
364V67.3Low81.5Confident102 Ų10281.7 Ų81.762%0.61842%0.419SS*.G310 helixtrans-67.3-26.2-168.3-164.50000112.5H362H362-V364 HydrophobicContact CB-CG2 4.35Å; H362-V364 PolarHBondContact O-N 2.94Å
365Y76.5Confident81.8Confident41 Ų4180.9 Ų80.916%0.16142%0.417CS..G310 helixtrans-103.98.1-176.2-50.7-66.1000114.2V323 F353 F356 S363 F367 P422V323-Y365 HydrophobicContact CG1-CE1 4.14Å; F353-Y365 WeakPolarHBondContact CZ-O 3.47Å; F356-Y365 HydrophobicContact CE1-CD2 4.25Å; S363-Y365 VanDerWaalsContact C-N 3.27Å; S363-Y365 PolarHBondContact O-N 3.04Å; Y365-F367 VanDerWaalsContact O-CD2 3.22Å; Y365-F367 WeakPolarHBondContact O-CD2 3.48Å; Y365-F367 PolarHBondContact O-N 2.93Å; Y365-P422 WeakPolarHBondContact OH-CB 3.48Å; Y365-P422 WeakPolarHBondContact OH-CG 3.36Å
366N82.8Confident82.2Confident105 Ų10576.7 Ų76.756%0.56140%0.399SS*.  trans-80.583.3179.4-170.128.7000111V357 S363V357-N366 HydrophobicContact CG1-CB 3.91Å; S363-N366 PolarHBondContact O-N 3.24Å
367F88.4Confident82.6Confident77 Ų7779.3 Ų79.334%0.33841%0.411SS..  trans-91.9149.5176.3-59.7-75.9000111.9L324 Y365 V371 V372L324-F367 HydrophobicContact CB-CE2 4.45Å; L324-F367 HydrophobicContact CD1-CD2 3.84Å; L324-F367 HydrophobicContact CD1-CE2 4.3Å; L324-F367 HydrophobicContact CD2-CD2 4.12Å; L324-F367 HydrophobicContact CD2-CG 4.35Å; L324-F367 HydrophobicContact CG-CD2 4.44Å; Y365-F367 VanDerWaalsContact O-CD2 3.22Å; Y365-F367 WeakPolarHBondContact O-CD2 3.48Å; Y365-F367 PolarHBondContact O-N 2.93Å; F367-V371 HydrophobicContact CB-CB 4.38Å; F367-V371 HydrophobicContact CB-CG1 4.38Å; F367-V371 HydrophobicContact CD1-CG1 4.5Å; F367-V372 HydrophobicContact CB-CG2 4.03Å
368E91Very high83.2Confident144 Ų14482 Ų8267%0.67342%0.422SS*.  trans-64.3145.6175-58.4179.4173.700111.7P370 V371 V372E368-P370 VanDerWaalsContact C-N 3.31Å; E368-P370 VanDerWaalsContact O-N 3.15Å; E368-V371 HydrophobicContact CB-CG2 4.47Å; E368-V371 WeakPolarHBondContact O-CB 3.39Å; E368-V371 PolarHBondContact O-N 3.08Å; E368-V372 PolarHBondContact O-N 3.41Å
369K92.9Very high83.9Confident60 Ų6074.9 Ų74.926%0.26139%0.389SS..Hα-helixtrans-48.3-41.8-179.5-172.2176.6173.9-177.50113.9F346 Y350 V371 V372 M373 E398F346-K369 HydrophobicContact CE1-CD 4.41Å; F346-K369 VanDerWaalsContact CE1-CE 3.49Å; F346-K369 HydrophobicContact CE1-CG 4.01Å; F346-K369 HydrophobicContact CZ-CG 4.19Å; Y350-K369 HydrophobicContact CD2-CG 4.4Å; Y350-K369 HydrophobicContact CE1-CG 4.49Å; Y350-K369 HydrophobicContact CE2-CB 4.04Å; Y350-K369 HydrophobicContact CE2-CG 4.03Å; K369-V371 VanDerWaalsContact C-N 3.32Å; K369-V371 PolarHBondContact O-N 2.88Å; K369-V372 PolarHBondContact O-N 3.25Å; K369-M373 WeakPolarHBondContact O-CB 3.16Å; K369-M373 PolarHBondContact O-N 3.17Å; K369-E398 VanDerWaalsContact CE-OE1 3.27Å; K369-E398 WeakPolarHBondContact CE-OE1 3.49Å; K369-E398 WeakPolarHBondContact CE-OE2 3.42Å; K369-E398 IonicContact NZ-OE1 3.77Å; K369-E398 PolarHBondContact NZ-OE1 3.42Å; K369-E398 IonicContact NZ-OE2 3.71Å; K369-E398 PolarHBondContact NZ-OE2 3.04Å
370P95.1Very high85Confident92 Ų9270 Ų7060%0.59737%0.373SS*.Hα-helixtrans-63.2-33.3177.2-23.835.8000114.1E368 M373 K374E368-P370 VanDerWaalsContact C-N 3.31Å; E368-P370 VanDerWaalsContact O-N 3.15Å; P370-M373 PolarHBondContact O-N 3.28Å; P370-K374 WeakPolarHBondContact O-CB 3.4Å; P370-K374 PolarHBondContact O-N 3.39Å
371V95.5Very high86.5Confident66 Ų6674.3 Ų74.340%0.439%0.394SS..Hα-helixtrans-69.7-41.7176.6-179.50000110.2L324 F367 E368 K369 M373 K374 A375L324-V371 HydrophobicContact CD2-CG1 4.07Å; F367-V371 HydrophobicContact CB-CB 4.38Å; F367-V371 HydrophobicContact CB-CG1 4.38Å; F367-V371 HydrophobicContact CD1-CG1 4.5Å; E368-V371 HydrophobicContact CB-CG2 4.47Å; E368-V371 WeakPolarHBondContact O-CB 3.39Å; E368-V371 PolarHBondContact O-N 3.08Å; K369-V371 VanDerWaalsContact C-N 3.32Å; K369-V371 PolarHBondContact O-N 2.88Å; V371-M373 VanDerWaalsContact C-N 3.35Å; V371-K374 WeakPolarHBondContact O-CB 3.34Å; V371-K374 PolarHBondContact O-N 3.4Å; V371-A375 PolarHBondContact O-N 2.97Å
372V96.1Very high88.9Confident0 Ų072.4 Ų72.40%037%0.369CS..Hα-helixtrans-66.8-38.5176-169.90000111.2L324 L328 F346 Y350 F353 F367 E368 K369 A375 F376L324-V372 HydrophobicContact CD1-CG2 4.32Å; L328-V372 HydrophobicContact CD1-CG1 3.96Å; L328-V372 HydrophobicContact CD2-CG1 3.58Å; L328-V372 HydrophobicContact CG-CG1 4.28Å; F346-V372 HydrophobicContact CE2-CB 4.49Å; F346-V372 HydrophobicContact CE2-CG1 4.1Å; F346-V372 HydrophobicContact CZ-CB 4.41Å; F346-V372 HydrophobicContact CZ-CG1 4.42Å; Y350-V372 HydrophobicContact CD2-CB 4.04Å; Y350-V372 HydrophobicContact CD2-CG1 3.86Å; Y350-V372 HydrophobicContact CD2-CG2 4.35Å; Y350-V372 HydrophobicContact CE2-CB 4.05Å; Y350-V372 HydrophobicContact CE2-CG1 4.31Å; Y350-V372 HydrophobicContact CE2-CG2 3.95Å; F353-V372 HydrophobicContact CD1-CG1 4.37Å; F353-V372 HydrophobicContact CE1-CG2 4.1Å; F367-V372 HydrophobicContact CB-CG2 4.03Å; E368-V372 PolarHBondContact O-N 3.41Å; K369-V372 PolarHBondContact O-N 3.25Å; V372-A375 PolarHBondContact O-N 2.97Å; V372-F376 PolarHBondContact O-N 3.38Å
373M95.6Very high90.8Very high22 Ų2272.7 Ų72.711%0.10837%0.371CS..Hα-helixtrans-63.1-42.4173.4-172.661.8-177.800111.3F346 K369 P370 V371 A375 F376 E377 R397 E398F346-M373 HydrophobicContact CB-SD 4.25Å; F346-M373 HydrophobicContact CD1-SD 3.57Å; F346-M373 VanDerWaalsContact CD1-SD 3.57Å; F346-M373 HydrophobicContact CD2-SD 3.69Å; F346-M373 HydrophobicContact CE1-CB 4.11Å; F346-M373 HydrophobicContact CE1-CG 4.41Å; F346-M373 HydrophobicContact CE1-SD 3.68Å; F346-M373 HydrophobicContact CE2-CB 4.14Å; F346-M373 HydrophobicContact CE2-SD 3.83Å; F346-M373 HydrophobicContact CG-SD 3.55Å; F346-M373 VanDerWaalsContact CG-SD 3.55Å; F346-M373 HydrophobicContact CZ-CB 3.69Å; F346-M373 HydrophobicContact CZ-CG 4.35Å; F346-M373 HydrophobicContact CZ-SD 3.83Å; K369-M373 WeakPolarHBondContact O-CB 3.16Å; K369-M373 PolarHBondContact O-N 3.17Å; P370-M373 PolarHBondContact O-N 3.28Å; V371-M373 VanDerWaalsContact C-N 3.35Å; M373-A375 VanDerWaalsContact C-N 3.32Å; M373-A375 PolarHBondContact O-N 3.41Å; M373-F376 WeakPolarHBondContact O-CB 3.29Å; M373-F376 PolarHBondContact O-N 3.24Å; M373-F376 VanDerWaalsContact O-N 3.16Å; M373-E377 HydrophobicContact CE-CG 4.18Å; M373-E377 WeakPolarHBondContact O-CG 3.08Å; M373-E377 PolarHBondContact O-N 3.21Å; M373-R397 HydrophobicContact CE-CB 3.66Å; M373-E398 HydrophobicContact CE-CG 4.27Å; M373-E398 HydrophobicContact SD-CG 4.39Å
374K96.8Very high92.5Very high155 Ų15567.9 Ų67.967%0.67434%0.337SS*.Hα-helixtrans-60.4-40.3175-172.7-179.4-179.9-178.10112.3P370 V371 E377 H378P370-K374 WeakPolarHBondContact O-CB 3.4Å; P370-K374 PolarHBondContact O-N 3.39Å; V371-K374 WeakPolarHBondContact O-CB 3.34Å; V371-K374 PolarHBondContact O-N 3.4Å; K374-E377 PolarHBondContact O-N 2.92Å; K374-H378 PolarHBondContact O-N 3.45Å
375A97.3Very high93.9Very high10 Ų1063.1 Ų63.18%0.08331%0.308CS..Hα-helixtrans-65.2-41.7174.200000111.9L324 E325 L328 V371 V372 M373 H378 L379L324-A375 HydrophobicContact CD2-CB 3.85Å; L324-A375 HydrophobicContact CG-CB 4.01Å; E325-A375 HydrophobicContact CG-CB 3.8Å; L328-A375 HydrophobicContact CD1-CB 3.81Å; V371-A375 PolarHBondContact O-N 2.97Å; V372-A375 PolarHBondContact O-N 2.97Å; M373-A375 VanDerWaalsContact C-N 3.32Å; M373-A375 PolarHBondContact O-N 3.41Å; A375-H378 PolarHBondContact O-N 2.68Å; A375-L379 WeakPolarHBondContact O-CG 3.4Å; A375-L379 PolarHBondContact O-N 3.4Å
376F97Very high94.8Very high4 Ų466.4 Ų66.42%0.01832%0.324CS..Hα-helixtrans-62.2-43.4174.6-172.8-85.8000112.4L328 M332 F346 V349 V372 M373 H378 L379 Q380 I385 M402L328-F376 HydrophobicContact CD1-CB 4.34Å; M332-F376 HydrophobicContact CE-CD2 3.53Å; M332-F376 HydrophobicContact CE-CE2 3.47Å; M332-F376 VanDerWaalsContact CE-CE2 3.47Å; F346-F376 HydrophobicContact CB-CD1 4.46Å; F346-F376 HydrophobicContact CB-CE1 4.26Å; F346-F376 HydrophobicContact CB-CE2 4.33Å; F346-F376 HydrophobicContact CB-CZ 4.18Å; F346-F376 HydrophobicContact CD2-CB 3.81Å; F346-F376 HydrophobicContact CD2-CD1 4.2Å; F346-F376 AromaticContact CD2-CD2 3.74Å; F346-F376 HydrophobicContact CD2-CD2 3.74Å; F346-F376 HydrophobicContact CD2-CE2 4.28Å; F346-F376 AromaticContact CD2-CG 3.67Å; F346-F376 HydrophobicContact CD2-CG 3.67Å; F346-F376 HydrophobicContact CE2-CB 4Å; F346-F376 HydrophobicContact CE2-CG 4.36Å; V349-F376 HydrophobicContact CB-CE2 4.47Å; V349-F376 HydrophobicContact CG2-CE2 4.2Å; V372-F376 PolarHBondContact O-N 3.38Å; M373-F376 WeakPolarHBondContact O-CB 3.29Å; M373-F376 PolarHBondContact O-N 3.24Å; M373-F376 VanDerWaalsContact O-N 3.16Å; F376-H378 VanDerWaalsContact C-N 3.32Å; F376-H378 PolarHBondContact O-N 3.07Å; F376-L379 WeakPolarHBondContact O-CB 3.34Å; F376-L379 PolarHBondContact O-N 3.28Å; F376-Q380 PolarHBondContact O-N 3.21Å; F376-Q380 VanDerWaalsContact O-N 3.09Å; F376-I385 HydrophobicContact CD1-CD1 4.02Å; F376-I385 HydrophobicContact CD2-CD1 4.21Å; F376-I385 HydrophobicContact CE1-CD1 3.69Å; F376-I385 HydrophobicContact CE2-CD1 3.93Å; F376-I385 HydrophobicContact CG-CD1 4.27Å; F376-I385 HydrophobicContact CZ-CD1 3.65Å; F376-M402 HydrophobicContact CE1-CE 4.22Å; F376-M402 HydrophobicContact CE1-CG 4.24Å; F376-M402 HydrophobicContact CZ-CB 4.49Å; F376-M402 HydrophobicContact CZ-CG 3.93Å
377E95.1Very high95.2Very high63 Ų6362.4 Ų62.429%0.29430%0.303SS..Hα-helixtrans-63.8-36.2175-71.5-175.4157.800112M373 K374 Q380 Q381 R397M373-E377 HydrophobicContact CE-CG 4.18Å; M373-E377 WeakPolarHBondContact O-CG 3.08Å; M373-E377 PolarHBondContact O-N 3.21Å; K374-E377 PolarHBondContact O-N 2.92Å; E377-Q380 WeakPolarHBondContact O-CB 3.31Å; E377-Q380 PolarHBondContact O-N 3.34Å; E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 3.31Å; E377-R397 WeakPolarHBondContact OE1-CD 3.37Å; E377-R397 IonicContact OE1-CZ 2.78Å; E377-R397 IonicContact OE1-NH1 2.8Å; E377-R397 PolarHBondContact OE1-NH1 2.85Å; E377-R397 IonicContact OE2-NH1 3.25Å
378H97.8Very high95.2Very high73 Ų7363.5 Ų63.534%0.33831%0.31SS..Hα-helixtrans-67.3-39.7174.9-172.2-126.8000112.1E325 K374 A375 F376 Q380 Q381 L382E325-H378 IonicContact OE1-CE1 3.62Å; E325-H378 IonicContact OE1-CG 2.77Å; E325-H378 IonicContact OE1-ND1 2.93Å; E325-H378 PolarHBondContact OE1-ND1 3.49Å; K374-H378 PolarHBondContact O-N 3.45Å; A375-H378 PolarHBondContact O-N 2.68Å; F376-H378 VanDerWaalsContact C-N 3.32Å; F376-H378 PolarHBondContact O-N 3.07Å; H378-Q380 VanDerWaalsContact C-N 3.26Å; H378-Q380 PolarHBondContact O-N 2.72Å; H378-Q381 WeakPolarHBondContact O-CB 3.43Å; H378-Q381 PolarHBondContact O-N 2.93Å; H378-Q381 VanDerWaalsContact O-N 3.11Å; H378-L382 WeakPolarHBondContact O-CG 3.41Å; H378-L382 PolarHBondContact O-N 2.84Å
379L97.4Very high94.8Very high0 Ų062.9 Ų62.90%031%0.308CS..Hα-helixtrans-59.6-37171.7-69.5176.7000112.3L321 E325 L328 I329 M332 A375 F376 E383 L384 I385L321-L379 HydrophobicContact CD1-CD2 3.94Å; L321-L379 HydrophobicContact CD2-CD2 4.18Å; E325-L379 HydrophobicContact CB-CD2 4.05Å; E325-L379 HydrophobicContact CB-CG 4.36Å; E325-L379 HydrophobicContact CG-CD2 4.43Å; E325-L379 HydrophobicContact CG-CG 4.39Å; L328-L379 HydrophobicContact CB-CD1 4Å; L328-L379 HydrophobicContact CD1-CD1 4.43Å; I329-L379 HydrophobicContact CD1-CD2 3.92Å; I329-L379 HydrophobicContact CG1-CD1 4.12Å; I329-L379 HydrophobicContact CG1-CD2 4.18Å; M332-L379 HydrophobicContact CE-CD1 3.93Å; A375-L379 WeakPolarHBondContact O-CG 3.4Å; A375-L379 PolarHBondContact O-N 3.4Å; F376-L379 WeakPolarHBondContact O-CB 3.34Å; F376-L379 PolarHBondContact O-N 3.28Å; L379-E383 PolarHBondContact O-N 3.24Å; L379-L384 HydrophobicContact CD2-CD1 3.8Å; L379-L384 PolarHBondContact O-N 3.13Å; L379-I385 HydrophobicContact CB-CD1 4.2Å; L379-I385 HydrophobicContact CB-CG1 4.27Å
380Q95.3Very high93.5Very high66 Ų6669.7 Ų69.731%0.30833%0.332SS..Hα-helixtrans-68.5-41.9173.2-178.2179.51.600111.6F376 E377 H378 L382 E383 I385 M402F376-Q380 PolarHBondContact O-N 3.21Å; F376-Q380 VanDerWaalsContact O-N 3.09Å; E377-Q380 WeakPolarHBondContact O-CB 3.31Å; E377-Q380 PolarHBondContact O-N 3.34Å; H378-Q380 VanDerWaalsContact C-N 3.26Å; H378-Q380 PolarHBondContact O-N 2.72Å; Q380-L382 PolarHBondContact O-N 3.46Å; Q380-E383 PolarHBondContact O-N 3.49Å; Q380-I385 HydrophobicContact CB-CD1 4.05Å; Q380-I385 HydrophobicContact CB-CG1 3.83Å; Q380-M402 HydrophobicContact CB-CE 4.11Å; Q380-M402 HydrophobicContact CG-CE 3.69Å
381Q96.1Very high92.1Very high151 Ų15167.1 Ų67.171%0.70631%0.314SS*.Hα-helixtrans-60.4-34.9177-174.8-179.5-0.700112.1E377 H378 E383E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 3.31Å; H378-Q381 WeakPolarHBondContact O-CB 3.43Å; H378-Q381 PolarHBondContact O-N 2.93Å; H378-Q381 VanDerWaalsContact O-N 3.11Å; Q381-E383 PolarHBondContact O-N 2.93Å
382L96.8Very high90.3Very high62 Ų6270 Ų7033%0.32534%0.338SS..THydrogen-bonded Turntrans-81.23.2175.6-65.3175.9000113.9I317 L321 H378 Q380 L384I317-L382 HydrophobicContact CG2-CD1 4.27Å; L321-L382 HydrophobicContact CD2-CD1 3.56Å; H378-L382 WeakPolarHBondContact O-CG 3.41Å; H378-L382 PolarHBondContact O-N 2.84Å; Q380-L382 PolarHBondContact O-N 3.46Å; L382-L384 HydrophobicContact CB-CD1 4.27Å; L382-L384 HydrophobicContact CB-CG 3.97Å; L382-L384 HydrophobicContact CD1-CD1 4.35Å; L382-L384 PolarHBondContact O-N 3.49Å; L382-L384 VanDerWaalsContact O-N 3.15Å
383E96.1Very high88.6Confident131 Ų13173.4 Ų73.461%0.61237%0.372SS*.THydrogen-bonded Turntrans51.634.9-174.8-55.5-169.1157.600113K314 L379 Q380 Q381K314-E383 PolarHBondContact NZ-O 3.44Å; L379-E383 PolarHBondContact O-N 3.24Å; Q380-E383 PolarHBondContact O-N 3.49Å; Q381-E383 PolarHBondContact O-N 2.93Å
384L96.4Very high87.1Confident1 Ų179.2 Ų79.21%0.00540%0.404CS..SBendtrans-83.8-23.8169-61.6-178.2000111.2K314 I317 L321 I329 L379 L382 L405 L406K314-L384 HydrophobicContact CD-CD2 3.82Å; I317-L384 HydrophobicContact CG2-CD1 4.21Å; I317-L384 HydrophobicContact CG2-CD2 4.29Å; L321-L384 HydrophobicContact CD1-CD1 3.78Å; L321-L384 HydrophobicContact CD2-CD1 4.22Å; I329-L384 HydrophobicContact CD1-CD1 4.48Å; L379-L384 HydrophobicContact CD2-CD1 3.8Å; L379-L384 PolarHBondContact O-N 3.13Å; L382-L384 HydrophobicContact CB-CD1 4.27Å; L382-L384 HydrophobicContact CB-CG 3.97Å; L382-L384 HydrophobicContact CD1-CD1 4.35Å; L382-L384 PolarHBondContact O-N 3.49Å; L382-L384 VanDerWaalsContact O-N 3.15Å; L384-L405 WeakPolarHBondContact O-CB 3.33Å; L384-L405 PolarHBondContact O-N 3.03Å; L384-L406 HydrophobicContact CD2-CD1 4.45Å; L384-L406 HydrophobicContact CD2-CD2 4.14Å; L384-L406 HydrophobicContact CD2-CG 4.41Å
385I95.9Very high85.8Confident3 Ų375 Ų752%0.01539%0.394CS..EExtended strand (participates in β ladder)trans-126.4148.1167.561.3177.4000109.9M332 F376 L379 Q380 M402 K403 L404M332-I385 HydrophobicContact CE-CD1 4.16Å; M332-I385 HydrophobicContact CE-CG2 3.98Å; M332-I385 HydrophobicContact SD-CG2 3.58Å; M332-I385 VanDerWaalsContact SD-CG2 3.58Å; F376-I385 HydrophobicContact CD1-CD1 4.02Å; F376-I385 HydrophobicContact CD2-CD1 4.21Å; F376-I385 HydrophobicContact CE1-CD1 3.69Å; F376-I385 HydrophobicContact CE2-CD1 3.93Å; F376-I385 HydrophobicContact CG-CD1 4.27Å; F376-I385 HydrophobicContact CZ-CD1 3.65Å; L379-I385 HydrophobicContact CB-CD1 4.2Å; L379-I385 HydrophobicContact CB-CG1 4.27Å; Q380-I385 HydrophobicContact CB-CD1 4.05Å; Q380-I385 HydrophobicContact CB-CG1 3.83Å; I385-M402 HydrophobicContact CD1-CE 3.95Å; I385-M402 HydrophobicContact CG1-CE 4.09Å; I385-K403 CarbonylContact C-O 3.52Å; I385-K403 VanDerWaalsContact CA-O 3.26Å; I385-K403 WeakPolarHBondContact CA-O 3.22Å; I385-L404 HydrophobicContact CG2-CD1 3.94Å
386K94.6Very high84.9Confident110 Ų11081.1 Ų81.148%0.47842%0.421SS..EExtended strand (participates in β ladder)trans-132.3136.9-178-178179.8178-1800111.3M402 K403 L405K386-M402 CarbonylContact O-C 2.99Å; K386-M402 WeakPolarHBondContact O-CA 3.38Å; K386-K403 PolarHBondContact N-O 3.47Å; K386-K403 PolarHBondContact O-N 2.91Å; K386-L405 HydrophobicContact CB-CD1 3.72Å; K386-L405 HydrophobicContact CB-CD2 4.35Å; K386-L405 HydrophobicContact CB-CG 4.09Å; K386-L405 HydrophobicContact CD-CD1 4.34Å
387P92.9Very high84.1Confident21 Ų2189 Ų8914%0.13645%0.451CS..EExtended strand (participates in β ladder)trans-66.5138.5173.227.6-34.7000111.3E389 R390 Q400 L401 M402P387-E389 VanDerWaalsContact C-N 3.27Å; P387-E389 PolarHBondContact O-N 2.78Å; P387-R390 HydrophobicContact CG-CG 4.44Å; P387-Q400 HydrophobicContact CB-CG 4.3Å; P387-Q400 VanDerWaalsContact CB-NE2 3.27Å; P387-L401 WeakPolarHBondContact CA-O 3.3Å; P387-M402 WeakPolarHBondContact CA-SD 3.44Å; P387-M402 HydrophobicContact CB-SD 3.63Å; P387-M402 HydrophobicContact CG-SD 4.45Å
388M88Confident83.6Confident99 Ų9988.5 Ų88.549%0.48845%0.448SS..SBendtrans-64.7-36.3174.1-74.4-62.3-160.800111.2P343 L401 K403P343-M388 HydrophobicContact CB-CE 3.74Å; P343-M388 HydrophobicContact CB-CG 3.87Å; P343-M388 HydrophobicContact CG-CE 4.14Å; P343-M388 HydrophobicContact CG-CG 4.37Å; M388-L401 PolarHBondContact N-O 3.32Å; M388-K403 HydrophobicContact CE-CB 3.85Å; M388-K403 HydrophobicContact CE-CD 3.74Å; M388-K403 HydrophobicContact CE-CG 4.04Å; M388-K403 HydrophobicContact SD-CB 4.24Å
389E81.9Confident83.2Confident131 Ų13191.1 Ų91.161%0.61246%0.456SS*.SBendtrans-126.4128.5177.5-147.5-176.3-177.600110.4P387 T391 Q400P387-E389 VanDerWaalsContact C-N 3.27Å; P387-E389 PolarHBondContact O-N 2.78Å; E389-T391 HydrophobicContact CB-CG2 4.49Å; E389-T391 HydrophobicContact CG-CG2 3.89Å; E389-T391 PolarHBondContact O-N 3.44Å; E389-Q400 PolarHBondContact O-NE2 3.38Å
390R66.7Low82.8Confident203 Ų20392.7 Ų92.777%0.76646%0.463SS*.  trans-81.854.7174.7-85.2178.6173.9170-3.5110.8P387 S392P387-R390 HydrophobicContact CG-CG 4.44Å; R390-S392 VanDerWaalsContact C-N 3.34Å; R390-S392 PolarHBondContact O-N 3.42Å
391T64.6Low82.7Confident38 Ų3893.4 Ų93.423%0.23347%0.469CS..  trans-88.473.4173.142.20000109.7E389 G393E389-T391 HydrophobicContact CB-CG2 4.49Å; E389-T391 HydrophobicContact CG-CG2 3.89Å; E389-T391 PolarHBondContact O-N 3.44Å; T391-G393 PolarHBondContact O-N 2.8Å
392S58.9Low82.7Confident128 Ų12886.3 Ų86.390%0.89544%0.436SS*.THydrogen-bonded Turntrans-62.51.6-171.3-1670000116R390R390-S392 VanDerWaalsContact C-N 3.34Å; R390-S392 PolarHBondContact O-N 3.42Å
393G59.7Low82.6Confident70 Ų7086.8 Ų86.872%0.72244%0.435SS*.THydrogen-bonded Turntrans-139.9-4.9-177.800000117.5T391T391-G393 PolarHBondContact O-N 2.8Å
394N63.3Low82.6Confident145 Ų14581 Ų8178%0.77541%0.408SS*.THydrogen-bonded Turntrans-105.4-15-169.6-70.3-10.7000115
395S69.1Low82.6Confident67 Ų6784.2 Ų84.247%0.46943%0.425SS..SBendtrans-123137-176.5-59.90000110.8R397S395-R397 PolarHBondContact O-N 3.26Å
396Q79.7Confident82.6Confident138 Ų13884.7 Ų84.765%0.64543%0.428SS*.  trans-59.1139.4168.2-65.3-179.8-8.300109.1E398 Y399 Q400Q396-E398 PolarHBondContact O-N 3.38Å; Q396-E398 VanDerWaalsContact O-N 3.08Å; Q396-Y399 HydrophobicContact CB-CD2 4.06Å; Q396-Y399 PolarHBondContact O-N 3.44Å; Q396-Q400 PolarHBondContact O-N 3.22Å
397R79Confident82.5Confident169 Ų16983.5 Ų83.564%0.63843%0.427SS*.G310 helixtrans-55.1-33.5-172.2-67.6-170.2178-173.5-0.6113.8M373 E377 S395 Y399M373-R397 HydrophobicContact CE-CB 3.66Å; E377-R397 WeakPolarHBondContact OE1-CD 3.37Å; E377-R397 IonicContact OE1-CZ 2.78Å; E377-R397 IonicContact OE1-NH1 2.8Å; E377-R397 PolarHBondContact OE1-NH1 2.85Å; E377-R397 IonicContact OE2-NH1 3.25Å; S395-R397 PolarHBondContact O-N 3.26Å; R397-Y399 VanDerWaalsContact C-N 3.31Å; R397-Y399 PolarHBondContact O-N 3.13Å
398E86Confident82.5Confident53 Ų5384.6 Ų84.625%0.24843%0.431CS..G310 helixtrans-70.2-24.6-178.3-59.2-167.4165.800113.9F346 K369 M373 Q396F346-E398 WeakPolarHBondContact CB-O 3.34Å; F346-E398 HydrophobicContact CD1-CB 4.09Å; F346-E398 HydrophobicContact CD1-CG 3.94Å; F346-E398 HydrophobicContact CE1-CG 4.49Å; F346-E398 PolarHBondContact N-O 2.92Å; K369-E398 VanDerWaalsContact CE-OE1 3.27Å; K369-E398 WeakPolarHBondContact CE-OE1 3.49Å; K369-E398 WeakPolarHBondContact CE-OE2 3.42Å; K369-E398 IonicContact NZ-OE1 3.77Å; K369-E398 PolarHBondContact NZ-OE1 3.42Å; K369-E398 IonicContact NZ-OE2 3.71Å; K369-E398 PolarHBondContact NZ-OE2 3.04Å; M373-E398 HydrophobicContact CE-CG 4.27Å; M373-E398 HydrophobicContact SD-CG 4.39Å; Q396-E398 PolarHBondContact O-N 3.38Å; Q396-E398 VanDerWaalsContact O-N 3.08Å
399Y88.3Confident82.7Confident127 Ų12783.7 Ų83.750%0.49843%0.432SS..G310 helixtrans-105.64.5-175.6-58.6-61.8000113.3Q396 R397 L401Q396-Y399 HydrophobicContact CB-CD2 4.06Å; Q396-Y399 PolarHBondContact O-N 3.44Å; R397-Y399 VanDerWaalsContact C-N 3.31Å; R397-Y399 PolarHBondContact O-N 3.13Å; Y399-L401 PolarHBondContact O-N 3.14Å
400Q90.5Very high83.1Confident33 Ų3379.5 Ų79.515%0.15441%0.412CS..  trans-69.3130.2174.6-170.9170.117.600110.1N345 P387 E389 Q396 M402N345-Q400 WeakPolarHBondContact CA-O 3.24Å; N345-Q400 WeakPolarHBondContact CB-O 3.29Å; P387-Q400 HydrophobicContact CB-CG 4.3Å; P387-Q400 VanDerWaalsContact CB-NE2 3.27Å; E389-Q400 PolarHBondContact O-NE2 3.38Å; Q396-Q400 PolarHBondContact O-N 3.22Å; Q400-M402 HydrophobicContact CG-SD 4.13Å
401L93.1Very high84.4Confident82 Ų8270 Ų7043%0.42938%0.376SS..  trans-77.3128.1176.3-69.8175.1000110.8P343 N345 P387 M388 Y399P343-L401 HydrophobicContact CB-CB 4.19Å; P343-L401 HydrophobicContact CB-CD2 4.45Å; P343-L401 HydrophobicContact CG-CD1 4.38Å; P343-L401 HydrophobicContact CG-CD2 4.49Å; N345-L401 HydrophobicContact CB-CD2 4.41Å; P387-L401 WeakPolarHBondContact CA-O 3.3Å; M388-L401 PolarHBondContact N-O 3.32Å; Y399-L401 PolarHBondContact O-N 3.14Å
402M94.6Very high85.6Confident1 Ų170.6 Ų70.61%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-125.6156-173.7-54.6-66.3-100.200110.4P343 F344 F376 Q380 I385 K386 P387 Q400P343-M402 WeakPolarHBondContact CA-O 3.17Å; P343-M402 WeakPolarHBondContact CB-O 3.26Å; F344-M402 HydrophobicContact CD2-CB 4.39Å; F344-M402 HydrophobicContact CE2-CB 4.12Å; F344-M402 PolarHBondContact N-O 3.37Å; F344-M402 PolarHBondContact O-N 3.08Å; F376-M402 HydrophobicContact CE1-CE 4.22Å; F376-M402 HydrophobicContact CE1-CG 4.24Å; F376-M402 HydrophobicContact CZ-CB 4.49Å; F376-M402 HydrophobicContact CZ-CG 3.93Å; Q380-M402 HydrophobicContact CB-CE 4.11Å; Q380-M402 HydrophobicContact CG-CE 3.69Å; I385-M402 HydrophobicContact CD1-CE 3.95Å; I385-M402 HydrophobicContact CG1-CE 4.09Å; K386-M402 CarbonylContact O-C 2.99Å; K386-M402 WeakPolarHBondContact O-CA 3.38Å; P387-M402 WeakPolarHBondContact CA-SD 3.44Å; P387-M402 HydrophobicContact CB-SD 3.63Å; P387-M402 HydrophobicContact CG-SD 4.45Å; Q400-M402 HydrophobicContact CG-SD 4.13Å
403K95.8Very high87.1Confident73 Ų7368.4 Ų68.432%0.31736%0.355SS..EExtended strand (participates in β ladder)trans-121.6138.8172.1-163.6174.6-178.5129.50110.7I385 K386 M388I385-K403 CarbonylContact C-O 3.52Å; I385-K403 VanDerWaalsContact CA-O 3.26Å; I385-K403 WeakPolarHBondContact CA-O 3.22Å; K386-K403 PolarHBondContact N-O 3.47Å; K386-K403 PolarHBondContact O-N 2.91Å; M388-K403 HydrophobicContact CE-CB 3.85Å; M388-K403 HydrophobicContact CE-CD 3.74Å; M388-K403 HydrophobicContact CE-CG 4.04Å; M388-K403 HydrophobicContact SD-CB 4.24Å
404L96.3Very high88.6Confident9 Ų965.2 Ų65.25%0.04732%0.322CS..EExtended strand (participates in β ladder)trans-72.1134.5170.8-171.559.7000110.8M332 F344 I385 L406 I411M332-L404 HydrophobicContact CB-CD1 4.46Å; M332-L404 HydrophobicContact CB-CD2 4.05Å; M332-L404 HydrophobicContact SD-CD1 4Å; F344-L404 HydrophobicContact CE1-CB 4.07Å; F344-L404 HydrophobicContact CZ-CB 3.93Å; I385-L404 HydrophobicContact CG2-CD1 3.94Å; L404-L406 HydrophobicContact CD1-CB 4.29Å; L404-L406 HydrophobicContact CD1-CD1 4.36Å; L404-L406 HydrophobicContact CD1-CG 4.45Å; L404-L406 HydrophobicContact CG-CB 4.18Å; L404-I411 HydrophobicContact CD2-CD1 3.92Å
405L96Very high89.8Confident69 Ų6958.8 Ų58.836%0.36129%0.288SS..  trans-110.636.6178.8-59.7-174.4000112L384 K386L384-L405 WeakPolarHBondContact O-CB 3.33Å; L384-L405 PolarHBondContact O-N 3.03Å; K386-L405 HydrophobicContact CB-CD1 3.72Å; K386-L405 HydrophobicContact CB-CD2 4.35Å; K386-L405 HydrophobicContact CB-CG 4.09Å; K386-L405 HydrophobicContact CD-CD1 4.34Å
406L94.8Very high90.8Very high13 Ų1362.3 Ų62.37%0.06830%0.297CS..SBendtrans-130.2136.2176.4-69.4174.9000108.9K314 V318 I329 L384 L404 I411K314-L406 HydrophobicContact CB-CD2 4.07Å; K314-L406 HydrophobicContact CD-CD2 4.04Å; K314-L406 HydrophobicContact CG-CD2 4.48Å; V318-L406 HydrophobicContact CG2-CD1 3.72Å; V318-L406 HydrophobicContact CG2-CD2 4.01Å; I329-L406 HydrophobicContact CD1-CD1 3.99Å; I329-L406 HydrophobicContact CG1-CD1 4.49Å; I329-L406 HydrophobicContact CG2-CD1 4.12Å; L384-L406 HydrophobicContact CD2-CD1 4.45Å; L384-L406 HydrophobicContact CD2-CD2 4.14Å; L384-L406 HydrophobicContact CD2-CG 4.41Å; L404-L406 HydrophobicContact CD1-CB 4.29Å; L404-L406 HydrophobicContact CD1-CD1 4.36Å; L404-L406 HydrophobicContact CD1-CG 4.45Å; L404-L406 HydrophobicContact CG-CB 4.18Å; L406-I411 HydrophobicContact CB-CD1 4.14Å; L406-I411 HydrophobicContact CB-CG1 3.98Å; L406-I411 HydrophobicContact CD1-CG1 4.34Å
407D93.6Very high91.2Very high85 Ų8563.3 Ų63.346%0.45530%0.299SS..  trans-78.5150.3171.7179.530.9000111T409 Q410 I411D407-T409 PolarHBondContact O-N 3.32Å; D407-T409 WeakPolarHBondContact OD2-CB 3.39Å; D407-T409 WeakPolarHBondContact OD2-CG2 3.42Å; D407-T409 PolarHBondContact OD2-OG1 2.78Å; D407-Q410 HydrophobicContact CB-CG 4.17Å; D407-Q410 VanDerWaalsContact N-OE1 3.07Å; D407-Q410 WeakPolarHBondContact O-CB 3.22Å; D407-Q410 PolarHBondContact O-N 3.49Å; D407-I411 WeakPolarHBondContact O-CG1 3.32Å; D407-I411 PolarHBondContact O-N 3.32Å
408N91.9Very high91.8Very high44 Ų4456.5 Ų56.524%0.23527%0.273CS..Hα-helixtrans-55.5-38.3176.7-79.8-12.3000111.5K333 D337 Q410 I411 M412K333-N408 WeakPolarHBondContact CG-OD1 3.47Å; D337-N408 PolarHBondContact OD1-ND2 3.09Å; D337-N408 VanDerWaalsContact OD1-ND2 3.09Å; N408-Q410 VanDerWaalsContact C-N 3.35Å; N408-Q410 PolarHBondContact O-N 2.94Å; N408-I411 PolarHBondContact O-N 3.03Å; N408-M412 VanDerWaalsContact O-CG 3.32Å; N408-M412 WeakPolarHBondContact O-CG 3.45Å; N408-M412 PolarHBondContact O-N 3.48Å
409T92.2Very high92Very high80 Ų8057.1 Ų57.149%0.49128%0.282SS..Hα-helixtrans-65.4-37.9176.771.30000112.1D407 N413D407-T409 PolarHBondContact O-N 3.32Å; D407-T409 WeakPolarHBondContact OD2-CB 3.39Å; D407-T409 WeakPolarHBondContact OD2-CG2 3.42Å; D407-T409 PolarHBondContact OD2-OG1 2.78Å; T409-N413 VanDerWaalsContact O-CB 3.22Å; T409-N413 WeakPolarHBondContact O-CB 3.45Å; T409-N413 PolarHBondContact O-N 2.6Å; T409-N413 PolarHBondContact O-ND2 3.49Å; T409-N413 VanDerWaalsContact O-ND2 3.09Å
410Q92.1Very high92Very high42 Ų4258.8 Ų58.820%0.19630%0.3CS..Hα-helixtrans-66.9-42.7177.4-65.6179.6-58.500111.2D312 D407 N408 N413 A414D312-Q410 PolarHBondContact OD2-NE2 2.88Å; D407-Q410 HydrophobicContact CB-CG 4.17Å; D407-Q410 VanDerWaalsContact N-OE1 3.07Å; D407-Q410 WeakPolarHBondContact O-CB 3.22Å; D407-Q410 PolarHBondContact O-N 3.49Å; N408-Q410 VanDerWaalsContact C-N 3.35Å; N408-Q410 PolarHBondContact O-N 2.94Å; Q410-N413 PolarHBondContact O-N 3Å; Q410-A414 WeakPolarHBondContact O-CB 3.34Å; Q410-A414 PolarHBondContact O-N 3.35Å
411I92.4Very high91.8Very high4 Ų457.7 Ų57.72%0.02130%0.296CS..Hα-helixtrans-61-50.3177.4-62.2167.8000110I329 K333 L404 L406 D407 N408 N413 A414 L415I329-I411 HydrophobicContact CG2-CD1 3.78Å; I329-I411 HydrophobicContact CG2-CG1 3.87Å; I329-I411 HydrophobicContact CG2-CG2 4.11Å; K333-I411 HydrophobicContact CB-CD1 4.15Å; K333-I411 HydrophobicContact CD-CD1 4.48Å; K333-I411 HydrophobicContact CD-CG2 4.46Å; L404-I411 HydrophobicContact CD2-CD1 3.92Å; L406-I411 HydrophobicContact CB-CD1 4.14Å; L406-I411 HydrophobicContact CB-CG1 3.98Å; L406-I411 HydrophobicContact CD1-CG1 4.34Å; D407-I411 WeakPolarHBondContact O-CG1 3.32Å; D407-I411 PolarHBondContact O-N 3.32Å; N408-I411 PolarHBondContact O-N 3.03Å; I411-N413 PolarHBondContact O-N 3.48Å; I411-A414 PolarHBondContact O-N 3.46Å; I411-L415 HydrophobicContact CG2-CD1 3.94Å; I411-L415 HydrophobicContact CG2-CG 4.45Å; I411-L415 WeakPolarHBondContact O-CB 3.18Å; I411-L415 VanDerWaalsContact O-CG 3.26Å; I411-L415 WeakPolarHBondContact O-CG 3.49Å; I411-L415 PolarHBondContact O-N 3.49Å
412M91.3Very high91.7Very high51 Ų5155.2 Ų55.225%0.25128%0.284SS..Hα-helixtrans-65.2-42-178.8-65.1-53.5-67.600112.4N408 L415 Q416 A429 T430N408-M412 VanDerWaalsContact O-CG 3.32Å; N408-M412 WeakPolarHBondContact O-CG 3.45Å; N408-M412 PolarHBondContact O-N 3.48Å; M412-L415 PolarHBondContact O-N 3.34Å; M412-L415 HydrophobicContact SD-CD1 4.2Å; M412-Q416 WeakPolarHBondContact O-CG 3.48Å; M412-Q416 PolarHBondContact O-N 3.35Å; M412-Q416 VanDerWaalsContact O-N 3.08Å; M412-A429 HydrophobicContact SD-CB 4.36Å; M412-T430 HydrophobicContact CE-CG2 3.74Å
413N90.3Very high91.3Very high81 Ų8159.8 Ų59.843%0.43331%0.313SS..Hα-helixtrans-64.8-40176.4-72.4-23.7000112T409 Q410 I411 K417T409-N413 VanDerWaalsContact O-CB 3.22Å; T409-N413 WeakPolarHBondContact O-CB 3.45Å; T409-N413 PolarHBondContact O-N 2.6Å; T409-N413 PolarHBondContact O-ND2 3.49Å; T409-N413 VanDerWaalsContact O-ND2 3.09Å; Q410-N413 PolarHBondContact O-N 3Å; I411-N413 PolarHBondContact O-N 3.48Å; N413-K417 WeakPolarHBondContact O-CG 3.41Å; N413-K417 PolarHBondContact O-N 3.38Å
414A90.5Very high90.9Very high4 Ų458.1 Ų58.13%0.03331%0.307CS..Hα-helixtrans-66-42.7176.300000111.1V318 Q410 I411 Q416 K417 Y418V318-A414 HydrophobicContact CB-CB 3.97Å; V318-A414 HydrophobicContact CG1-CB 3.51Å; Q410-A414 WeakPolarHBondContact O-CB 3.34Å; Q410-A414 PolarHBondContact O-N 3.35Å; I411-A414 PolarHBondContact O-N 3.46Å; A414-Q416 VanDerWaalsContact C-N 3.33Å; A414-Q416 PolarHBondContact O-N 3.39Å; A414-K417 CarbonylContact O-C 3.47Å; A414-K417 PolarHBondContact O-N 3.29Å; A414-K417 VanDerWaalsContact O-N 3.13Å; A414-Y418 WeakPolarHBondContact O-CA 3.41Å; A414-Y418 WeakPolarHBondContact O-CB 3.46Å; A414-Y418 PolarHBondContact O-N 3.19Å
415L88.8Confident90.5Very high10 Ų1057.7 Ų57.75%0.05231%0.305CS..Hα-helixtrans-62.1-36.1177.3-75.7171.7000113.7V326 I330 I411 M412 K417 R426 A429V326-L415 HydrophobicContact CG1-CD2 3.36Å; I330-L415 HydrophobicContact CD1-CD1 4.21Å; I330-L415 HydrophobicContact CD1-CD2 4.2Å; I330-L415 HydrophobicContact CG1-CD1 4.24Å; I411-L415 HydrophobicContact CG2-CD1 3.94Å; I411-L415 HydrophobicContact CG2-CG 4.45Å; I411-L415 WeakPolarHBondContact O-CB 3.18Å; I411-L415 VanDerWaalsContact O-CG 3.26Å; I411-L415 WeakPolarHBondContact O-CG 3.49Å; I411-L415 PolarHBondContact O-N 3.49Å; M412-L415 PolarHBondContact O-N 3.34Å; M412-L415 HydrophobicContact SD-CD1 4.2Å; L415-K417 VanDerWaalsContact C-N 3.34Å; L415-R426 PolarHBondContact O-NE 3.32Å; L415-A429 HydrophobicContact CD1-CB 3.47Å; L415-A429 VanDerWaalsContact CD1-CB 3.47Å
416Q88.9Confident90.2Very high140 Ų14059.3 Ų59.365%0.65431%0.306SS*.Hα-helixtrans-65.6-39.1174.3-73.5177.4800111.6M412 A414M412-Q416 WeakPolarHBondContact O-CG 3.48Å; M412-Q416 PolarHBondContact O-N 3.35Å; M412-Q416 VanDerWaalsContact O-N 3.08Å; A414-Q416 VanDerWaalsContact C-N 3.33Å; A414-Q416 PolarHBondContact O-N 3.39Å
417K89.7Confident89.9Confident160 Ų16063.9 Ų63.970%0.69633%0.327SS*.Hα-helixtrans-87.3-10-179.6-65.9178.9-179.8179.30113.8H319 N413 A414 L415H319-K417 PolarHBondContact CD2-O 3.1Å; H319-K417 PolarHBondContact NE2-O 3.44Å; N413-K417 WeakPolarHBondContact O-CG 3.41Å; N413-K417 PolarHBondContact O-N 3.38Å; A414-K417 CarbonylContact O-C 3.47Å; A414-K417 PolarHBondContact O-N 3.29Å; A414-K417 VanDerWaalsContact O-N 3.13Å; L415-K417 VanDerWaalsContact C-N 3.34Å
418Y91.7Very high89.7Confident25 Ų2561.1 Ų61.110%0.09831%0.31CS..SBendtrans-66.6126.7-173.7-169.7-89.9000111.4L321 V323 V326 A414 N420 C421L321-Y418 VanDerWaalsContact O-CE2 3.3Å; L321-Y418 WeakPolarHBondContact O-CE2 3.38Å; L321-Y418 VanDerWaalsContact O-CZ 3.31Å; L321-Y418 PolarHBondContact O-OH 2.61Å; V323-Y418 HydrophobicContact CG2-CE1 4.24Å; V323-Y418 PolarHBondContact N-OH 3.09Å; V326-Y418 HydrophobicContact CG2-CD2 4.31Å; V326-Y418 HydrophobicContact CG2-CE2 3.85Å; A414-Y418 WeakPolarHBondContact O-CA 3.41Å; A414-Y418 WeakPolarHBondContact O-CB 3.46Å; A414-Y418 PolarHBondContact O-N 3.19Å; Y418-N420 PolarHBondContact O-N 3.01Å; Y418-C421 HydrophobicContact CD1-CB 3.69Å; Y418-C421 HydrophobicContact CG-CB 4.34Å
419P89.3Confident89.5Confident66 Ų6659.1 Ų59.143%0.42930%0.3SS..THydrogen-bonded Turntrans-65.1131.9-177.6-17.831.6000110.6H319 C421H319-P419 WeakPolarHBondContact CE1-CG 3.33Å; H319-P419 WeakPolarHBondContact NE2-CD 3.42Å; H319-P419 WeakPolarHBondContact NE2-CG 3.39Å; P419-C421 PolarHBondContact O-N 2.74Å; P419-C421 VanDerWaalsContact O-N 3.07Å
420N87.8Confident89.3Confident162 Ų16259.8 Ų59.887%0.86630%0.304SS*.THydrogen-bonded Turntrans51.733.2176.6-58.3-32.1000114.4Y418 P422Y418-N420 PolarHBondContact O-N 3.01Å; N420-P422 VanDerWaalsContact O-CD 3.3Å; N420-P422 WeakPolarHBondContact O-CD 3.15Å
421C87.5Confident88.7Confident10 Ų1059.9 Ų59.97%0.06831%0.309CS..  trans-59.9120.5176.6-167.50000109.9Y418 P419 T423 R426Y418-C421 HydrophobicContact CD1-CB 3.69Å; Y418-C421 HydrophobicContact CG-CB 4.34Å; P419-C421 PolarHBondContact O-N 2.74Å; P419-C421 VanDerWaalsContact O-N 3.07Å; C421-T423 PolarHBondContact O-N 3.3Å; C421-R426 HydrophobicContact CB-CG 4.2Å; C421-R426 VanDerWaalsContact SG-CG 3.6Å
422P89.3Confident87.1Confident30 Ų3061.4 Ų61.420%0.19532%0.321CS..  trans-58.4137.8179.9-23.933.7000111.3V323 Y365 N420 D424 V425 R426V323-P422 HydrophobicContact CG1-CG 4.06Å; V323-P422 HydrophobicContact CG2-CG 4.45Å; Y365-P422 WeakPolarHBondContact OH-CB 3.48Å; Y365-P422 WeakPolarHBondContact OH-CG 3.36Å; N420-P422 VanDerWaalsContact O-CD 3.3Å; N420-P422 WeakPolarHBondContact O-CD 3.15Å; P422-D424 PolarHBondContact O-N 2.91Å; P422-D424 VanDerWaalsContact O-N 3.14Å; P422-V425 HydrophobicContact CB-CG2 4.08Å; P422-V425 HydrophobicContact CG-CG2 4.27Å; P422-V425 PolarHBondContact O-N 3.4Å; P422-R426 PolarHBondContact O-N 3.46Å
423T87.2Confident85.3Confident98 Ų9867 Ų6760%0.60135%0.351SS*.Hα-helixtrans-55.4-35.6-178.845.10000111.9C421 V425 R426 Q427C421-T423 PolarHBondContact O-N 3.3Å; T423-V425 VanDerWaalsContact C-N 3.34Å; T423-V425 PolarHBondContact O-N 2.89Å; T423-R426 PolarHBondContact O-N 2.78Å; T423-Q427 WeakPolarHBondContact O-CG 3.38Å; T423-Q427 PolarHBondContact O-N 2.88Å
424D87.8Confident82.9Confident37 Ų3766.8 Ų66.820%0.19836%0.356CS..Hα-helixtrans-63.4-38.3179.2-71.6-40.8000113.8F356 K360 P422 W428F356-D424 HydrophobicContact CZ-CB 4.39Å; K360-D424 HydrophobicContact CD-CB 3.92Å; K360-D424 VanDerWaalsContact NZ-CA 3.29Å; K360-D424 PolarHBondContact NZ-O 3.04Å; K360-D424 IonicContact NZ-OD1 2.87Å; K360-D424 PolarHBondContact NZ-OD1 2.76Å; P422-D424 PolarHBondContact O-N 2.91Å; P422-D424 VanDerWaalsContact O-N 3.14Å; D424-W428 WeakPolarHBondContact O-CB 3.34Å; D424-W428 PolarHBondContact O-N 2.6Å
425V88.3Confident80.8Confident0 Ų075.5 Ų75.50%039%0.388CS..Hα-helixtrans-71.8-42.3179.8178.10000109.8V323 V326 I330 F356 P422 T423 W428 A429V323-V425 HydrophobicContact CG1-CG2 4.15Å; V326-V425 HydrophobicContact CG1-CG1 4.24Å; I330-V425 HydrophobicContact CD1-CG1 3.39Å; F356-V425 HydrophobicContact CZ-CG2 4.27Å; P422-V425 HydrophobicContact CB-CG2 4.08Å; P422-V425 HydrophobicContact CG-CG2 4.27Å; P422-V425 PolarHBondContact O-N 3.4Å; T423-V425 VanDerWaalsContact C-N 3.34Å; T423-V425 PolarHBondContact O-N 2.89Å; V425-W428 PolarHBondContact O-N 3.42Å; V425-A429 PolarHBondContact O-N 3.15Å
426R89.2Confident78.3Confident104 Ų10486.9 Ų86.939%0.39245%0.447SS..Hα-helixtrans-61.2-45.8174.6-71-172.2179.31535.3112.3L415 C421 P422 T423 W428 A429 T430L415-R426 PolarHBondContact O-NE 3.32Å; C421-R426 HydrophobicContact CB-CG 4.2Å; C421-R426 VanDerWaalsContact SG-CG 3.6Å; P422-R426 PolarHBondContact O-N 3.46Å; T423-R426 PolarHBondContact O-N 2.78Å; R426-W428 VanDerWaalsContact C-N 3.31Å; R426-W428 PolarHBondContact O-N 3.46Å; R426-A429 PolarHBondContact O-N 3.32Å; R426-T430 PolarHBondContact O-N 2.98Å; R426-T430 PolarHBondContact O-OG1 3.25Å
427Q88Confident77.7Confident109 Ų10984.2 Ų84.251%0.50944%0.437SS..Hα-helixtrans-61.3-42177.3-75.8177.4-8.800111.7T423 T430 S431T423-Q427 WeakPolarHBondContact O-CG 3.38Å; T423-Q427 PolarHBondContact O-N 2.88Å; Q427-T430 PolarHBondContact O-N 3.06Å; Q427-T430 PolarHBondContact O-OG1 2.83Å; Q427-S431 WeakPolarHBondContact O-CB 3.38Å; Q427-S431 PolarHBondContact O-N 2.82Å; Q427-S431 VanDerWaalsContact O-N 3.15Å; Q427-S431 PolarHBondContact O-OG 3.31Å
428W89.3Confident77.1Confident26 Ų2680.2 Ų80.210%0.09842%0.423CS..Hα-helixtrans-63.5-44.3178.3-178.547.7000111.7C327 I330 A331 H334 F356 D424 V425 R426 T430 S431C327-W428 HydrophobicContact CB-CZ3 3.99Å; C327-W428 VanDerWaalsContact O-CH2 3.32Å; C327-W428 WeakPolarHBondContact O-CH2 3.36Å; C327-W428 WeakPolarHBondContact O-CZ3 3.48Å; I330-W428 HydrophobicContact CB-CE3 3.88Å; I330-W428 HydrophobicContact CB-CH2 4.15Å; I330-W428 HydrophobicContact CB-CZ3 3.63Å; I330-W428 HydrophobicContact CD1-CE3 4.18Å; I330-W428 HydrophobicContact CD1-CZ3 4.43Å; I330-W428 HydrophobicContact CG2-CD2 3.68Å; I330-W428 HydrophobicContact CG2-CE3 3.4Å; I330-W428 VanDerWaalsContact CG2-CE3 3.4Å; I330-W428 HydrophobicContact CG2-CG 4.41Å; I330-W428 HydrophobicContact CG2-CH2 3.95Å; I330-W428 HydrophobicContact CG2-CZ2 4.19Å; I330-W428 HydrophobicContact CG2-CZ3 3.56Å; A331-W428 HydrophobicContact CB-CH2 3.84Å; A331-W428 HydrophobicContact CB-CZ2 4.33Å; H334-W428 AromaticContact CE1-CD1 3.67Å; H334-W428 AromaticContact CE1-CE2 3.61Å; H334-W428 AromaticContact CE1-NE1 3.35Å; H334-W428 PolarHBondContact CE1-NE1 2.68Å; H334-W428 VanDerWaalsContact CE1-NE1 3.35Å; H334-W428 PolarHBondContact CE1-O 3.21Å; H334-W428 VanDerWaalsContact CE1-O 3.29Å; H334-W428 AromaticContact ND1-CE2 3.7Å; H334-W428 AromaticContact ND1-CZ2 3.88Å; H334-W428 AromaticContact ND1-NE1 3.51Å; H334-W428 PolarHBondContact NE2-O 3.08Å; F356-W428 HydrophobicContact CB-CD2 4.03Å; F356-W428 HydrophobicContact CB-CE3 4.39Å; F356-W428 HydrophobicContact CB-CH2 4.14Å; F356-W428 HydrophobicContact CB-CZ2 3.76Å; F356-W428 HydrophobicContact CB-CZ3 4.43Å; F356-W428 HydrophobicContact CD1-CD2 4.48Å; F356-W428 HydrophobicContact CD1-CE3 4.16Å; F356-W428 HydrophobicContact CD1-CZ3 4.24Å; F356-W428 HydrophobicContact CD2-CB 3.78Å; F356-W428 AromaticContact CD2-CD1 3.84Å; F356-W428 AromaticContact CD2-CD2 3.48Å; F356-W428 HydrophobicContact CD2-CD2 3.48Å; F356-W428 VanDerWaalsContact CD2-CD2 3.48Å; F356-W428 AromaticContact CD2-CE2 3.99Å; F356-W428 AromaticContact CD2-CE3 3.87Å; F356-W428 HydrophobicContact CD2-CE3 3.87Å; F356-W428 AromaticContact CD2-CG 3.42Å; F356-W428 HydrophobicContact CD2-CG 3.42Å; F356-W428 VanDerWaalsContact CD2-CG 3.42Å; F356-W428 HydrophobicContact CE1-CE3 4.42Å; F356-W428 HydrophobicContact CE2-CB 3.64Å; F356-W428 HydrophobicContact CE2-CD2 4.03Å; F356-W428 HydrophobicContact CE2-CE3 4.15Å; F356-W428 AromaticContact CE2-CG 3.82Å; F356-W428 HydrophobicContact CE2-CG 3.82Å; F356-W428 AromaticContact CG-CD2 3.74Å; F356-W428 HydrophobicContact CG-CD2 3.74Å; F356-W428 AromaticContact CG-CE2 3.95Å; F356-W428 AromaticContact CG-CE3 3.87Å; F356-W428 HydrophobicContact CG-CE3 3.87Å; F356-W428 HydrophobicContact CG-CG 4.17Å; F356-W428 HydrophobicContact CG-CH2 4.39Å; F356-W428 HydrophobicContact CG-CZ2 4.3Å; F356-W428 HydrophobicContact CG-CZ3 4.18Å; F356-W428 HydrophobicContact CZ-CE3 4.41Å; D424-W428 WeakPolarHBondContact O-CB 3.34Å; D424-W428 PolarHBondContact O-N 2.6Å; V425-W428 PolarHBondContact O-N 3.42Å; R426-W428 VanDerWaalsContact C-N 3.31Å; R426-W428 PolarHBondContact O-N 3.46Å; W428-T430 VanDerWaalsContact C-N 3.26Å; W428-T430 PolarHBondContact O-N 3.22Å; W428-S431 WeakPolarHBondContact O-CB 3.5Å; W428-S431 PolarHBondContact O-N 3.03Å
429A88.8Confident76.3Confident2 Ų283.3 Ų83.32%0.01744%0.441CS..Hα-helixtrans-59.1-33.2176.700000114I330 M412 L415 V425 R426I330-A429 HydrophobicContact CD1-CB 3.85Å; I330-A429 HydrophobicContact CG1-CB 3.95Å; I330-A429 HydrophobicContact CG2-CB 4.14Å; M412-A429 HydrophobicContact SD-CB 4.36Å; L415-A429 HydrophobicContact CD1-CB 3.47Å; L415-A429 VanDerWaalsContact CD1-CB 3.47Å; V425-A429 PolarHBondContact O-N 3.15Å; R426-A429 PolarHBondContact O-N 3.32Å
430T86.6Confident75.5Confident94 Ų9484.3 Ų84.358%0.57744%0.442SS*.Hα-helixtrans-81.5-17.6176.451.40000113.9M412 R426 Q427 W428 S432M412-T430 HydrophobicContact CE-CG2 3.74Å; R426-T430 PolarHBondContact O-N 2.98Å; R426-T430 PolarHBondContact O-OG1 3.25Å; Q427-T430 PolarHBondContact O-N 3.06Å; Q427-T430 PolarHBondContact O-OG1 2.83Å; W428-T430 VanDerWaalsContact C-N 3.26Å; W428-T430 PolarHBondContact O-N 3.22Å; T430-S432 PolarHBondContact O-N 2.87Å
431S80.6Confident74.7Confident44 Ų4479.4 Ų79.431%0.30842%0.415SS..  trans-80.129.5-171.5-63.10000113.5Q427 W428 L433Q427-S431 WeakPolarHBondContact O-CB 3.38Å; Q427-S431 PolarHBondContact O-N 2.82Å; Q427-S431 VanDerWaalsContact O-N 3.15Å; Q427-S431 PolarHBondContact O-OG 3.31Å; W428-S431 WeakPolarHBondContact O-CB 3.5Å; W428-S431 PolarHBondContact O-N 3.03Å; S431-L433 PolarHBondContact O-N 2.93Å
432S58.9Low73.9Confident37 Ų3784.1 Ų84.126%0.25944%0.439SS..THydrogen-bonded Turntrans-57.5-12.3-165.1-156.50000115.5K333 D337 T430K333-S432 PolarHBondContact NZ-OG 3.07Å; D337-S432 PolarHBondContact OD2-OG 3.21Å; T430-S432 PolarHBondContact O-N 2.87Å
433L52.7Low72.8Confident168 Ų16887.9 Ų87.988%0.8846%0.456SS*.THydrogen-bonded Turntrans-150.711.5-162.6-94.2151.5000116.9S431S431-L433 PolarHBondContact O-N 2.93Å
434S39.7Very low71.7Confident77 Ų7787.2 Ų87.254%0.53845%0.445SS..SBendtrans-122.130.9-175.1690000115.2
435W45.8Very low70.4Confident187 Ų18791.3 Ų91.371%0.70847%0.465SS*.  trans-15135.5-176.7-55.793.7000114.7
436L36.3Very low68.7Low248 Ų24899.6 Ų99.6100%1.29851%0.508SS*.  trans-83.30142-84.8164.3000106.8

Retrieved 436 of 436 residues in 634.6 ms (Link to these results)

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