A0A096N5Q4_PAPAN Loading...

Transmembrane protein 115

AlphaFold DB (G7NZZ0), UniProt , Accession A0A096N5Q4, Species PAPAN (Papio anubis, Olive baboon), Gene TMEM115, Length 351 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
1M50.9Low60.8Low225 Ų225128.9 Ų128.9100%1.10864%0.642SS**  0-13.60-76.9176.7163.600115.2
2Q52.9Low61.4Low177 Ų177127.4 Ų127.483%0.82764%0.637SS**THydrogen-bonded Turntrans-84-12.4-174.4-75173.7-21.800116.9
3R54.5Low61.9Low242 Ų242120.8 Ų120.891%0.91362%0.62SS**THydrogen-bonded Turntrans-87.6-15.6-180-73.7-177.4-177.4164.30.5115.3
4A58.3Low62.5Low74 Ų74116.4 Ų116.461%0.61261%0.611SS**Hα-helixtrans-85.2-24.5-178.600000113.7A8A4-A8 WeakPolarHBondContact O-CB 3.43Å; A4-A8 PolarHBondContact O-N 2.84Å
5L58.8Low63.3Low99 Ų99111.3 Ų111.352%0.51858%0.584SS.*Hα-helixtrans-61.8-45.3179.7-94.4139.2000114.8R9L5-R9 WeakPolarHBondContact O-CG 3.36Å; L5-R9 PolarHBondContact O-N 2.9Å
6P59.5Low63.7Low69 Ų69108.9 Ų108.945%0.44857%0.571SS.*Hα-helixtrans-67-38.6178.920.7-29.3000112.5R9 Q10P6-R9 PolarHBondContact O-N 2.87Å; P6-Q10 WeakPolarHBondContact O-CG 3.09Å; P6-Q10 PolarHBondContact O-N 3.18Å
7G64.1Low64.1Low25 Ų25106.5 Ų106.526%0.25857%0.571SS.*Hα-helixtrans-63.6-47.8174.900000112.2R9 Q10 H11G7-R9 VanDerWaalsContact C-N 3.31Å; G7-R9 PolarHBondContact O-N 3.22Å; G7-Q10 PolarHBondContact O-N 2.96Å; G7-H11 PolarHBondContact O-CD2 3Å; G7-H11 PolarHBondContact O-N 3.23Å
8A61.8Low64.9Low49 Ų49105.1 Ų105.141%0.40557%0.57SS.*Hα-helixtrans-60-39.4177.700000112.7A4 H11 L12A4-A8 WeakPolarHBondContact O-CB 3.43Å; A4-A8 PolarHBondContact O-N 2.84Å; A8-H11 PolarHBondContact O-N 3.25Å; A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 VanDerWaalsContact O-CG 3.27Å; A8-L12 WeakPolarHBondContact O-CG 3.27Å; A8-L12 PolarHBondContact O-N 3.43Å
9R65.8Low65.7Low185 Ų185100.4 Ų100.470%0.69855%0.547SS*.Hα-helixtrans-65.9-40.4175.4-75.5178.2171.1-170.8-3112.6L5 P6 G7 G13L5-R9 WeakPolarHBondContact O-CG 3.36Å; L5-R9 PolarHBondContact O-N 2.9Å; P6-R9 PolarHBondContact O-N 2.87Å; G7-R9 VanDerWaalsContact C-N 3.31Å; G7-R9 PolarHBondContact O-N 3.22Å; R9-G13 PolarHBondContact O-N 2.91Å
10Q70Confident66.8Low141 Ų14196.6 Ų96.666%0.65953%0.528SS*.Hα-helixtrans-67.3-41.7176.2-73.4173.5-9.100111.6P6 G7 G13 A14P6-Q10 WeakPolarHBondContact O-CG 3.09Å; P6-Q10 PolarHBondContact O-N 3.18Å; G7-Q10 PolarHBondContact O-N 2.96Å; Q10-G13 PolarHBondContact O-N 3.11Å; Q10-A14 VanDerWaalsContact O-CB 3.32Å; Q10-A14 WeakPolarHBondContact O-CB 3.22Å; Q10-A14 PolarHBondContact O-N 3.27Å
11H72.4Confident67.9Low132 Ų13297.7 Ų97.761%0.61154%0.538SS*.Hα-helixtrans-64.6-46.7174.6-69.2-60.1000111.6G7 A8 G13 A14 I15G7-H11 PolarHBondContact O-CD2 3Å; G7-H11 PolarHBondContact O-N 3.23Å; A8-H11 PolarHBondContact O-N 3.25Å; H11-G13 PolarHBondContact O-N 2.89Å; H11-A14 PolarHBondContact O-N 3.07Å; H11-I15 VanDerWaalsContact O-CB 3.3Å; H11-I15 WeakPolarHBondContact O-CB 3.47Å; H11-I15 VanDerWaalsContact O-CD1 3.27Å; H11-I15 WeakPolarHBondContact O-CD1 3.46Å; H11-I15 WeakPolarHBondContact O-CG1 3.23Å; H11-I15 PolarHBondContact O-N 2.71Å
12L67.3Low69.8Low111 Ų11188.4 Ų88.458%0.58149%0.494SS*.Hα-helixtrans-63.4-40.1176.2-74.1170.4000112.5A8 I15 L16A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 VanDerWaalsContact O-CG 3.27Å; A8-L12 WeakPolarHBondContact O-CG 3.27Å; A8-L12 PolarHBondContact O-N 3.43Å; L12-I15 HydrophobicContact CD2-CD1 4.41Å; L12-I15 WeakPolarHBondContact O-CB 3.45Å; L12-I15 PolarHBondContact O-N 3.37Å; L12-L16 WeakPolarHBondContact O-CB 3.06Å; L12-L16 PolarHBondContact O-N 2.94Å
13G68.6Low71.6Confident41 Ų4180 Ų8042%0.42346%0.455SS..Hα-helixtrans-63-44.317500000112.2R9 Q10 H11 I15 L16 A17R9-G13 PolarHBondContact O-N 2.91Å; Q10-G13 PolarHBondContact O-N 3.11Å; H11-G13 PolarHBondContact O-N 2.89Å; G13-I15 VanDerWaalsContact C-N 3.32Å; G13-I15 PolarHBondContact O-N 3.35Å; G13-L16 PolarHBondContact O-N 3.48Å; G13-A17 WeakPolarHBondContact O-CB 3.33Å; G13-A17 PolarHBondContact O-N 2.9Å
14A70.5Confident73.4Confident59 Ų5972.6 Ų72.649%0.48843%0.429SS..Hα-helixtrans-64.8-37.9173.900000111.8Q10 H11 A17 S18Q10-A14 VanDerWaalsContact O-CB 3.32Å; Q10-A14 WeakPolarHBondContact O-CB 3.22Å; Q10-A14 PolarHBondContact O-N 3.27Å; H11-A14 PolarHBondContact O-N 3.07Å; A14-A17 PolarHBondContact O-N 3.19Å; A14-S18 WeakPolarHBondContact O-CB 3.14Å; A14-S18 PolarHBondContact O-N 3.39Å; A14-S18 PolarHBondContact O-OG 3.15Å
15I73.3Confident75.1Confident41 Ų4171.9 Ų71.921%0.2142%0.423CS..Hα-helixtrans-62-44.8176.8-72.4162.4000111.7H11 L12 G13 S18 A19 V83 R87H11-I15 VanDerWaalsContact O-CB 3.3Å; H11-I15 WeakPolarHBondContact O-CB 3.47Å; H11-I15 VanDerWaalsContact O-CD1 3.27Å; H11-I15 WeakPolarHBondContact O-CD1 3.46Å; H11-I15 WeakPolarHBondContact O-CG1 3.23Å; H11-I15 PolarHBondContact O-N 2.71Å; L12-I15 HydrophobicContact CD2-CD1 4.41Å; L12-I15 WeakPolarHBondContact O-CB 3.45Å; L12-I15 PolarHBondContact O-N 3.37Å; G13-I15 VanDerWaalsContact C-N 3.32Å; G13-I15 PolarHBondContact O-N 3.35Å; I15-S18 PolarHBondContact O-OG 2.89Å; I15-S18 VanDerWaalsContact O-OG 3.09Å; I15-A19 PolarHBondContact O-N 2.89Å; I15-V83 HydrophobicContact CG2-CG1 3.63Å; I15-R87 VanDerWaalsContact CA-NH2 3.3Å; I15-R87 VanDerWaalsContact CG1-CZ 3.5Å
16L70.3Confident76.7Confident73 Ų7367.9 Ų67.938%0.38240%0.402SS..Hα-helixtrans-76.3-34.7179.4-166.165.7000111.5L12 G13 S18 A19 K24L12-L16 WeakPolarHBondContact O-CB 3.06Å; L12-L16 PolarHBondContact O-N 2.94Å; G13-L16 PolarHBondContact O-N 3.48Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 3.32Å; L16-A19 VanDerWaalsContact O-CB 3.28Å; L16-A19 WeakPolarHBondContact O-CB 3.43Å; L16-A19 PolarHBondContact O-N 3.27Å; L16-A19 VanDerWaalsContact O-N 3.11Å; L16-K24 WeakPolarHBondContact O-CE 3.42Å
17A71.5Confident78.2Confident68 Ų6864.8 Ų64.856%0.56238%0.382SS*.Hα-helixtrans-63.3-40.8176.100000111.6G13 A14 A19 K24G13-A17 WeakPolarHBondContact O-CB 3.33Å; G13-A17 PolarHBondContact O-N 2.9Å; A14-A17 PolarHBondContact O-N 3.19Å; A17-A19 PolarHBondContact O-N 3.36Å; A17-K24 PolarHBondContact O-NZ 3.24Å
18S77.7Confident79.6Confident80 Ų8066.2 Ų66.256%0.55939%0.391SS*.THydrogen-bonded Turntrans-75.5-9.3175.178.90000113.8A14 I15 L16 R87A14-S18 WeakPolarHBondContact O-CB 3.14Å; A14-S18 PolarHBondContact O-N 3.39Å; A14-S18 PolarHBondContact O-OG 3.15Å; I15-S18 PolarHBondContact O-OG 2.89Å; I15-S18 VanDerWaalsContact O-OG 3.09Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 3.32Å; S18-R87 PolarHBondContact OG-NH2 3.12Å; S18-R87 VanDerWaalsContact OG-NH2 3.09Å
19A81Confident81.1Confident16 Ų1665.3 Ų65.313%0.13238%0.384CS..SBendtrans-73.5155-178.500000111.4I15 L16 A17 V23 K24I15-A19 PolarHBondContact O-N 2.89Å; L16-A19 VanDerWaalsContact O-CB 3.28Å; L16-A19 WeakPolarHBondContact O-CB 3.43Å; L16-A19 PolarHBondContact O-N 3.27Å; L16-A19 VanDerWaalsContact O-N 3.11Å; A17-A19 PolarHBondContact O-N 3.36Å; A19-V23 HydrophobicContact CB-CB 4.27Å; A19-V23 HydrophobicContact CB-CG1 4.02Å; A19-K24 HydrophobicContact CB-CG 4.43Å; A19-K24 WeakPolarHBondContact O-CE 3.38Å; A19-K24 PolarHBondContact O-NZ 3.47Å
20S86.7Confident82.4Confident24 Ų2456.6 Ų56.617%0.16835%0.351CS..  trans-68.8165.2178.172.30000113.2V22 V23 K24 E90S20-V22 VanDerWaalsContact C-N 3.25Å; S20-V22 PolarHBondContact O-N 3.06Å; S20-V23 PolarHBondContact O-N 3.24Å; S20-V23 VanDerWaalsContact OG-CG2 3.23Å; S20-V23 WeakPolarHBondContact OG-CG2 3.38Å; S20-V23 PolarHBondContact OG-N 2.99Å; S20-K24 WeakPolarHBondContact O-CB 3.25Å; S20-K24 WeakPolarHBondContact O-CD 3.39Å; S20-K24 VanDerWaalsContact O-CG 3.28Å; S20-K24 WeakPolarHBondContact O-CG 3.46Å; S20-K24 PolarHBondContact O-N 3.21Å; S20-E90 WeakPolarHBondContact CB-OE1 3.3Å; S20-E90 WeakPolarHBondContact CB-OE2 3.49Å; S20-E90 PolarHBondContact OG-OE1 3.28Å; S20-E90 VanDerWaalsContact OG-OE1 3.05Å; S20-E90 PolarHBondContact OG-OE2 2.98Å
21V90.7Very high83.5Confident121 Ų12153.6 Ų53.673%0.73334%0.339SS*.Hα-helixtrans-60.2-38176.2-176.80000111.1K24 A25V21-K24 PolarHBondContact O-N 3.27Å; V21-A25 VanDerWaalsContact O-CB 3.27Å; V21-A25 WeakPolarHBondContact O-CB 3.45Å; V21-A25 PolarHBondContact O-N 3.35Å
22V90.7Very high84.4Confident30 Ų3053.6 Ų53.618%0.18234%0.338CS..Hα-helixtrans-65.4-48.2179.7175.20000110.9S20 K24 A25 L26 A95 L99S20-V22 VanDerWaalsContact C-N 3.25Å; S20-V22 PolarHBondContact O-N 3.06Å; V22-K24 VanDerWaalsContact C-N 3.35Å; V22-K24 PolarHBondContact O-N 2.86Å; V22-A25 PolarHBondContact O-N 2.89Å; V22-L26 HydrophobicContact CG1-CD1 4.13Å; V22-L26 WeakPolarHBondContact O-CG 3.17Å; V22-L26 PolarHBondContact O-N 3.29Å; V22-A95 HydrophobicContact CB-CB 4.47Å; V22-A95 HydrophobicContact CG2-CB 3.86Å; V22-L99 HydrophobicContact CG1-CB 4.1Å; V22-L99 HydrophobicContact CG1-CD1 4.1Å
23V91.1Very high85.5Confident1 Ų149.1 Ų49.11%0.00631%0.314CS..Hα-helixtrans-62.7-45.1179.3174.80000110.1A19 S20 A25 L26 C27 V82 E90 L98A19-V23 HydrophobicContact CB-CB 4.27Å; A19-V23 HydrophobicContact CB-CG1 4.02Å; S20-V23 PolarHBondContact O-N 3.24Å; S20-V23 VanDerWaalsContact OG-CG2 3.23Å; S20-V23 WeakPolarHBondContact OG-CG2 3.38Å; S20-V23 PolarHBondContact OG-N 2.99Å; V23-A25 VanDerWaalsContact C-N 3.34Å; V23-A25 PolarHBondContact O-N 3.21Å; V23-L26 PolarHBondContact O-N 3.28Å; V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 3.25Å; V23-C27 PolarHBondContact O-SG 3.34Å; V23-V82 HydrophobicContact CG1-CG1 4.06Å; V23-E90 VanDerWaalsContact CG2-OE2 3.29Å; V23-E90 WeakPolarHBondContact CG2-OE2 3.06Å; V23-L98 HydrophobicContact CG2-CD2 4.21Å
24K92.2Very high86.5Confident86 Ų8648.7 Ų48.737%0.37430%0.3SS..Hα-helixtrans-58.6-44.6175-73.5166.7176.9158.80111.9L16 A17 A19 S20 V21 V22 C27 A28L16-K24 WeakPolarHBondContact O-CE 3.42Å; A17-K24 PolarHBondContact O-NZ 3.24Å; A19-K24 HydrophobicContact CB-CG 4.43Å; A19-K24 WeakPolarHBondContact O-CE 3.38Å; A19-K24 PolarHBondContact O-NZ 3.47Å; S20-K24 WeakPolarHBondContact O-CB 3.25Å; S20-K24 WeakPolarHBondContact O-CD 3.39Å; S20-K24 VanDerWaalsContact O-CG 3.28Å; S20-K24 WeakPolarHBondContact O-CG 3.46Å; S20-K24 PolarHBondContact O-N 3.21Å; V21-K24 PolarHBondContact O-N 3.27Å; V22-K24 VanDerWaalsContact C-N 3.35Å; V22-K24 PolarHBondContact O-N 2.86Å; K24-C27 PolarHBondContact O-N 3.3Å; K24-A28 VanDerWaalsContact O-CB 3.28Å; K24-A28 WeakPolarHBondContact O-CB 3.29Å; K24-A28 PolarHBondContact O-N 3.23Å
25A93.1Very high87.5Confident58 Ų5851.4 Ų51.448%0.47931%0.306SS..Hα-helixtrans-64-43.7178.600000111.9V21 V22 V23 A28 A29V21-A25 VanDerWaalsContact O-CB 3.27Å; V21-A25 WeakPolarHBondContact O-CB 3.45Å; V21-A25 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 2.89Å; V23-A25 VanDerWaalsContact C-N 3.34Å; V23-A25 PolarHBondContact O-N 3.21Å; A25-A28 PolarHBondContact O-N 3.36Å; A25-A29 VanDerWaalsContact O-CB 3.32Å; A25-A29 WeakPolarHBondContact O-CB 3.42Å; A25-A29 PolarHBondContact O-N 3.41Å
26L92.3Very high88.2Confident15 Ų1552 Ų528%0.07931%0.309CS..Hα-helixtrans-63.9-44.3175.9-70.1173.9000111.6V22 V23 A28 A29 V30 L67 V82 F102V22-L26 HydrophobicContact CG1-CD1 4.13Å; V22-L26 WeakPolarHBondContact O-CG 3.17Å; V22-L26 PolarHBondContact O-N 3.29Å; V23-L26 PolarHBondContact O-N 3.28Å; L26-A28 PolarHBondContact O-N 2.78Å; L26-A29 PolarHBondContact O-N 2.92Å; L26-V30 WeakPolarHBondContact O-CG2 3.39Å; L26-V30 PolarHBondContact O-N 2.88Å; L26-L67 HydrophobicContact CD2-CD2 4.18Å; L26-V82 HydrophobicContact CB-CG1 3.81Å; L26-V82 HydrophobicContact CD1-CG1 4.27Å; L26-F102 HydrophobicContact CD1-CD2 4.33Å; L26-F102 HydrophobicContact CD1-CG 4.3Å; L26-F102 HydrophobicContact CD2-CD1 3.89Å; L26-F102 HydrophobicContact CD2-CE1 3.61Å; L26-F102 HydrophobicContact CD2-CE2 4.32Å; L26-F102 HydrophobicContact CD2-CG 4.37Å; L26-F102 HydrophobicContact CD2-CZ 3.85Å
27C92.2Very high89Confident5 Ų550.3 Ų50.33%0.03430%0.303CS..Hα-helixtrans-61-45.4175.9-64.20000111.5V23 K24 A29 V30 L31 L79V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 3.25Å; V23-C27 PolarHBondContact O-SG 3.34Å; K24-C27 PolarHBondContact O-N 3.3Å; C27-A29 VanDerWaalsContact C-N 3.33Å; C27-A29 PolarHBondContact O-N 2.97Å; C27-V30 PolarHBondContact O-N 3.36Å; C27-L31 WeakPolarHBondContact O-CG 3.29Å; C27-L31 PolarHBondContact O-N 3.27Å; C27-L79 HydrophobicContact CB-CD1 3.5Å; C27-L79 WeakPolarHBondContact SG-CD1 3.45Å
28A93.3Very high89.7Confident55 Ų5554 Ų5446%0.45531%0.307SS..Hα-helixtrans-63.1-39.6176.700000111.6K24 A25 L26 L31 F32K24-A28 VanDerWaalsContact O-CB 3.28Å; K24-A28 WeakPolarHBondContact O-CB 3.29Å; K24-A28 PolarHBondContact O-N 3.23Å; A25-A28 PolarHBondContact O-N 3.36Å; L26-A28 PolarHBondContact O-N 2.78Å; A28-L31 PolarHBondContact O-N 2.89Å; A28-F32 WeakPolarHBondContact O-CB 3.4Å; A28-F32 PolarHBondContact O-N 3.09Å
29A92.8Very high90Very high29 Ų2954.1 Ų54.124%0.2431%0.312CS..Hα-helixtrans-63.8-44.517700000112.3A25 L26 C27 F32 L33 L67A25-A29 VanDerWaalsContact O-CB 3.32Å; A25-A29 WeakPolarHBondContact O-CB 3.42Å; A25-A29 PolarHBondContact O-N 3.41Å; L26-A29 PolarHBondContact O-N 2.92Å; C27-A29 VanDerWaalsContact C-N 3.33Å; C27-A29 PolarHBondContact O-N 2.97Å; A29-F32 PolarHBondContact O-N 3.29Å; A29-L33 WeakPolarHBondContact O-CB 3.36Å; A29-L33 WeakPolarHBondContact O-CG 3.37Å; A29-L33 PolarHBondContact O-N 2.86Å; A29-L67 HydrophobicContact CB-CD1 4.2Å; A29-L67 HydrophobicContact CB-CD2 4.4Å
30V92.4Very high90.2Very high3 Ų357.3 Ų57.32%0.01833%0.33CS..Hα-helixtrans-60.3-47.9175.21720000110.8L26 C27 L33 Y34 L67 E69 V75 S78L26-V30 WeakPolarHBondContact O-CG2 3.39Å; L26-V30 PolarHBondContact O-N 2.88Å; C27-V30 PolarHBondContact O-N 3.36Å; V30-L33 PolarHBondContact O-N 3.36Å; V30-Y34 VanDerWaalsContact O-CB 3.28Å; V30-Y34 WeakPolarHBondContact O-CB 3.15Å; V30-Y34 PolarHBondContact O-N 3Å; V30-L67 HydrophobicContact CG2-CB 4.48Å; V30-L67 HydrophobicContact CG2-CD2 3.77Å; V30-E69 HydrophobicContact CG1-CG 4.41Å; V30-V75 HydrophobicContact CG1-CG1 4.26Å; V30-S78 WeakPolarHBondContact CG1-OG 3.2Å
31L92.6Very high89.9Confident78 Ų7862.3 Ų62.341%0.40836%0.355SS..Hα-helixtrans-64.6-41.8179.1-69.1174.5000112C27 A28 Y34 L35 V75C27-L31 WeakPolarHBondContact O-CG 3.29Å; C27-L31 PolarHBondContact O-N 3.27Å; A28-L31 PolarHBondContact O-N 2.89Å; L31-Y34 PolarHBondContact O-N 2.8Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 3.47Å; L31-V75 HydrophobicContact CD2-CG1 3.98Å
32F92.4Very high89.2Confident131 Ų13157.2 Ų57.258%0.57532%0.324SS*.Hα-helixtrans-63-47.6178.3175.8-100.5000111.6A28 A29 Y34 L35 L36A28-F32 WeakPolarHBondContact O-CB 3.4Å; A28-F32 PolarHBondContact O-N 3.09Å; A29-F32 PolarHBondContact O-N 3.29Å; F32-Y34 VanDerWaalsContact C-N 3.32Å; F32-Y34 PolarHBondContact O-N 3.43Å; F32-L35 PolarHBondContact O-N 2.86Å; F32-L36 HydrophobicContact CE1-CD2 4.37Å; F32-L36 WeakPolarHBondContact O-CB 3.36Å; F32-L36 PolarHBondContact O-N 2.96Å
33L90.2Very high88.4Confident18 Ų1856.6 Ų56.69%0.09432%0.324CS..Hα-helixtrans-66.6-35.6178.3-73170000112.1A29 V30 L36 S37 L45 L67 M68A29-L33 WeakPolarHBondContact O-CB 3.36Å; A29-L33 WeakPolarHBondContact O-CG 3.37Å; A29-L33 PolarHBondContact O-N 2.86Å; V30-L33 PolarHBondContact O-N 3.36Å; L33-L36 HydrophobicContact CD2-CD2 4.37Å; L33-L36 PolarHBondContact O-N 3.01Å; L33-S37 PolarHBondContact O-N 3.23Å; L33-L45 HydrophobicContact CD2-CD2 3.92Å; L33-L67 HydrophobicContact CD1-CB 3.48Å; L33-L67 VanDerWaalsContact CD1-CB 3.48Å; L33-L67 HydrophobicContact CD1-CD1 4.39Å; L33-M68 HydrophobicContact CB-SD 4.16Å
34Y90.8Very high87.9Confident32 Ų3259.2 Ų59.213%0.12534%0.342CS..Hα-helixtrans-62.7-45.6172.5-178.1-114.7000112.1V30 L31 F32 L36 S37 F38 E69 V72 V75V30-Y34 VanDerWaalsContact O-CB 3.28Å; V30-Y34 WeakPolarHBondContact O-CB 3.15Å; V30-Y34 PolarHBondContact O-N 3Å; L31-Y34 PolarHBondContact O-N 2.8Å; F32-Y34 VanDerWaalsContact C-N 3.32Å; F32-Y34 PolarHBondContact O-N 3.43Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.94Å; Y34-S37 WeakPolarHBondContact O-CB 3.03Å; Y34-S37 PolarHBondContact O-N 3.19Å; Y34-F38 HydrophobicContact CD1-CE2 4.13Å; Y34-F38 AromaticContact CE1-CE2 3.63Å; Y34-F38 HydrophobicContact CE1-CE2 3.63Å; Y34-F38 HydrophobicContact CE1-CZ 4.09Å; Y34-F38 HydrophobicContact CE2-CE2 4.17Å; Y34-F38 HydrophobicContact CE2-CZ 4.35Å; Y34-F38 AromaticContact CZ-CE2 3.63Å; Y34-F38 AromaticContact CZ-CZ 3.72Å; Y34-F38 WeakPolarHBondContact O-CD2 3.49Å; Y34-F38 WeakPolarHBondContact OH-CZ 3.5Å; Y34-E69 WeakPolarHBondContact CD2-O 3.21Å; Y34-V72 WeakPolarHBondContact OH-CG2 3.4Å; Y34-V75 HydrophobicContact CD1-CG2 4.02Å; Y34-V75 HydrophobicContact CD2-CG2 3.46Å; Y34-V75 VanDerWaalsContact CD2-CG2 3.46Å; Y34-V75 HydrophobicContact CE1-CG2 4.38Å; Y34-V75 HydrophobicContact CE2-CG2 3.89Å; Y34-V75 HydrophobicContact CG-CG2 3.55Å
35L89.8Confident87.5Confident115 Ų11556.6 Ų56.660%0.60233%0.332SS*.Hα-helixtrans-64.5-38.9175.5-70.3173.5000111.8L31 F32 S37 F38L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 3.47Å; F32-L35 PolarHBondContact O-N 2.86Å; L35-S37 PolarHBondContact O-N 3.23Å; L35-F38 PolarHBondContact O-N 3.37Å
36L88.4Confident87.1Confident55 Ų5554 Ų5429%0.28831%0.31SS..Hα-helixtrans-63.7-31.3176.4-169.266.9000112F32 L33 Y34 F38 A39 V40F32-L36 HydrophobicContact CE1-CD2 4.37Å; F32-L36 WeakPolarHBondContact O-CB 3.36Å; F32-L36 PolarHBondContact O-N 2.96Å; L33-L36 HydrophobicContact CD2-CD2 4.37Å; L33-L36 PolarHBondContact O-N 3.01Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.94Å; L36-F38 PolarHBondContact O-N 2.97Å; L36-A39 PolarHBondContact O-N 2.96Å; L36-V40 HydrophobicContact CD1-CG2 4.15Å; L36-V40 PolarHBondContact O-N 3.49Å
37S87.1Confident86.9Confident37 Ų3753.3 Ų53.326%0.25931%0.307SS..Hα-helixtrans-56.3-28.7174.7-160.20000113.6L33 Y34 L35 T42 M68L33-S37 PolarHBondContact O-N 3.23Å; Y34-S37 WeakPolarHBondContact O-CB 3.03Å; Y34-S37 PolarHBondContact O-N 3.19Å; L35-S37 PolarHBondContact O-N 3.23Å; S37-T42 PolarHBondContact OG-OG1 3.38Å; S37-M68 VanDerWaalsContact CB-CE 3.46Å; S37-M68 WeakPolarHBondContact OG-CE 3.16Å
38F86.2Confident86.6Confident146 Ų14653.4 Ų53.464%0.6431%0.307SS*.Hα-helixtrans-79.5-24.1176.1-66.8-77.5000113.4Y34 L35 L36Y34-F38 HydrophobicContact CD1-CE2 4.13Å; Y34-F38 AromaticContact CE1-CE2 3.63Å; Y34-F38 HydrophobicContact CE1-CE2 3.63Å; Y34-F38 HydrophobicContact CE1-CZ 4.09Å; Y34-F38 HydrophobicContact CE2-CE2 4.17Å; Y34-F38 HydrophobicContact CE2-CZ 4.35Å; Y34-F38 AromaticContact CZ-CE2 3.63Å; Y34-F38 AromaticContact CZ-CZ 3.72Å; Y34-F38 WeakPolarHBondContact O-CD2 3.49Å; Y34-F38 WeakPolarHBondContact OH-CZ 3.5Å; L35-F38 PolarHBondContact O-N 3.37Å; L36-F38 PolarHBondContact O-N 2.97Å
39A84.4Confident86.2Confident81 Ų8150.8 Ų50.867%0.66929%0.285SS*.Hα-helixtrans-96.3-33.4-174.300000112.9L36L36-A39 PolarHBondContact O-N 2.96Å
40V84.1Confident85.7Confident84 Ų8449.8 Ų49.851%0.50928%0.278SS..SBendtrans-137.4147-171.2-174.60000110.1L36 T42L36-V40 HydrophobicContact CD1-CG2 4.15Å; L36-V40 PolarHBondContact O-N 3.49Å; V40-T42 PolarHBondContact O-N 3.41Å
41D80.7Confident85.3Confident128 Ų12853.5 Ų53.568%0.68429%0.292SS*.  trans-65.3105.5170.3-171.70.1000110.2G43D41-G43 PolarHBondContact O-N 3.15Å; D41-G43 PolarHBondContact OD1-N 3.12Å; D41-G43 VanDerWaalsContact OD1-N 3.15Å
42T76.3Confident84.9Confident15 Ų1550.5 Ų50.59%0.09228%0.277CS..G310 helixtrans-81.614.1-177.246.20000113.6S37 V40 C44 L45 M68S37-T42 PolarHBondContact OG-OG1 3.38Å; V40-T42 PolarHBondContact O-N 3.41Å; T42-C44 PolarHBondContact O-N 3.03Å; T42-C44 VanDerWaalsContact O-N 3.14Å; T42-L45 HydrophobicContact CG2-CD1 3.78Å; T42-L45 PolarHBondContact O-N 3.14Å; T42-M68 VanDerWaalsContact CB-CE 3.47Å; T42-M68 HydrophobicContact CG2-CE 3.73Å; T42-M68 HydrophobicContact CG2-SD 4.07Å; T42-M68 WeakPolarHBondContact OG1-CE 3.39Å
43G74.6Confident84.3Confident17 Ų1747 Ų4718%0.17526%0.262CS..G310 helixtrans-54.3-30.4176.500000114.1D41 L45D41-G43 PolarHBondContact O-N 3.15Å; D41-G43 PolarHBondContact OD1-N 3.12Å; D41-G43 VanDerWaalsContact OD1-N 3.15Å; G43-L45 VanDerWaalsContact C-N 3.28Å; G43-L45 PolarHBondContact O-N 2.87Å
44C80.4Confident83.5Confident56 Ų5650.4 Ų50.438%0.37828%0.284SS..G310 helixtrans-75-9.3178.4620000115.1T42 W58 W60 T61T42-C44 PolarHBondContact O-N 3.03Å; T42-C44 VanDerWaalsContact O-N 3.14Å; C44-W58 HydrophobicContact CB-CH2 4.3Å; C44-W58 HydrophobicContact CB-CZ3 4.21Å; C44-W60 PolarHBondContact O-NE1 2.86Å; C44-T61 VanDerWaalsContact O-CG2 3.29Å; C44-T61 WeakPolarHBondContact O-CG2 3.3Å
45L83.2Confident82.7Confident30 Ų3054 Ų5416%0.15731%0.312CS..G310 helixtrans-101-18.6179.8-70.7129.9000112.9L33 T42 G43 T64 H65L33-L45 HydrophobicContact CD2-CD2 3.92Å; T42-L45 HydrophobicContact CG2-CD1 3.78Å; T42-L45 PolarHBondContact O-N 3.14Å; G43-L45 VanDerWaalsContact C-N 3.28Å; G43-L45 PolarHBondContact O-N 2.87Å; L45-T64 HydrophobicContact CD2-CG2 3.95Å; L45-T64 PolarHBondContact O-OG1 3.02Å; L45-H65 WeakPolarHBondContact O-CA 3.35Å; L45-H65 PolarHBondContact O-N 3.36Å
46A86.2Confident82.3Confident4 Ų452.6 Ų52.63%0.03331%0.305CS..SBendtrans-84.8146.4175.600000110.9T48 T61 R134 H136A46-T48 PolarHBondContact O-N 3.29Å; A46-T48 VanDerWaalsContact O-N 3.12Å; A46-T61 WeakPolarHBondContact O-CG2 3.44Å; A46-R134 HydrophobicContact CB-CB 4.18Å; A46-H136 HydrophobicContact CB-CB 4.25Å
47V86.2Confident82.1Confident0 Ų055.1 Ų55.10%031%0.314CS..BIsolated β-bridgetrans-73.3111.3174.8170.90000108T61 L62 H65 A114 I135V47-T61 VanDerWaalsContact CG2-O 3.31Å; V47-T61 WeakPolarHBondContact CG2-O 3.41Å; V47-L62 HydrophobicContact CG2-CD2 4.16Å; V47-H65 HydrophobicContact CB-CB 4.32Å; V47-H65 HydrophobicContact CG2-CB 3.76Å; V47-A114 HydrophobicContact CG1-CB 4.26Å; V47-I135 HydrophobicContact CB-CB 4.2Å; V47-I135 HydrophobicContact CG1-CD1 4.33Å; V47-I135 PolarHBondContact N-O 3.43Å; V47-I135 PolarHBondContact O-N 3.09Å
48T87.8Confident82.1Confident7 Ų756.2 Ų56.24%0.04331%0.312CS..  trans-104.3117.1168.6-56.10000107.4A46 G50 Y51 L52 L130A46-T48 PolarHBondContact O-N 3.29Å; A46-T48 VanDerWaalsContact O-N 3.12Å; T48-G50 PolarHBondContact O-N 3.43Å; T48-G50 VanDerWaalsContact O-N 3.09Å; T48-Y51 HydrophobicContact CG2-CD2 3.51Å; T48-Y51 HydrophobicContact CG2-CE2 3.94Å; T48-Y51 HydrophobicContact CG2-CG 4.5Å; T48-Y51 PolarHBondContact O-N 3.23Å; T48-L52 PolarHBondContact O-N 3.44Å; T48-L130 WeakPolarHBondContact CG2-O 3.36Å
49P83.4Confident82.2Confident0 Ų054.3 Ų54.30%031%0.308CS..Hα-helixtrans-51.9-38.8-172.7-28.434.7000113.5Y51 L52 F53 A114 Y117 L130 V133P49-Y51 PolarHBondContact O-N 3.39Å; P49-L52 PolarHBondContact O-N 2.99Å; P49-F53 WeakPolarHBondContact O-CD2 3.33Å; P49-A114 HydrophobicContact CB-CB 4.39Å; P49-Y117 HydrophobicContact CG-CD2 4.21Å; P49-Y117 HydrophobicContact CG-CG 4.17Å; P49-L130 HydrophobicContact CB-CD1 3.97Å; P49-L130 HydrophobicContact CB-CG 4.49Å; P49-V133 VanDerWaalsContact CD-O 3.25Å; P49-V133 WeakPolarHBondContact CD-O 3.31Å
50G82.4Confident82.4Confident9 Ų956.6 Ų56.69%0.09330%0.299CS..Hα-helixtrans-70.6-24.2-178.600000115.6T48 L130T48-G50 PolarHBondContact O-N 3.43Å; T48-G50 VanDerWaalsContact O-N 3.09Å; G50-L130 PolarHBondContact N-O 3.37Å
51Y84.4Confident82.7Confident80 Ų8052.7 Ų52.731%0.31428%0.275SS..Hα-helixtrans-94.6-13.3178.8-63.8-59.8000113.1T48 P49 N56 F57 W58 F131T48-Y51 HydrophobicContact CG2-CD2 3.51Å; T48-Y51 HydrophobicContact CG2-CE2 3.94Å; T48-Y51 HydrophobicContact CG2-CG 4.5Å; T48-Y51 PolarHBondContact O-N 3.23Å; P49-Y51 PolarHBondContact O-N 3.39Å; Y51-N56 HydrophobicContact CD1-CB 4.3Å; Y51-N56 WeakPolarHBondContact CD1-ND2 3.39Å; Y51-F57 PolarHBondContact O-N 3.04Å; Y51-W58 HydrophobicContact CD2-CE3 4.33Å; Y51-W58 HydrophobicContact CD2-CH2 4.31Å; Y51-W58 AromaticContact CD2-CZ3 3.96Å; Y51-W58 HydrophobicContact CD2-CZ3 3.96Å; Y51-W58 HydrophobicContact CG-CD2 4.39Å; Y51-W58 HydrophobicContact CG-CE3 4.17Å; Y51-W58 HydrophobicContact CG-CH2 4.38Å; Y51-W58 HydrophobicContact CG-CZ3 4.15Å; Y51-W58 PolarHBondContact O-N 3.05Å; Y51-F131 HydrophobicContact CE1-CE1 4.42Å; Y51-F131 HydrophobicContact CE2-CD1 4.29Å
52L83.9Confident83.1Confident15 Ų1547.5 Ų47.58%0.07925%0.248CC..Hα-helixtrans-74-37.1174.8-172.868.2000111.9T48 P49 L62 A114T48-L52 PolarHBondContact O-N 3.44Å; P49-L52 PolarHBondContact O-N 2.99Å; L52-L62 HydrophobicContact CD1-CD1 4.06Å; L52-L62 HydrophobicContact CD1-CD2 3.94Å; L52-L62 HydrophobicContact CD1-CG 3.82Å; L52-L62 HydrophobicContact CD2-CD2 3.95Å; L52-A114 HydrophobicContact CD2-CB 3.35Å
53F80.3Confident83.6Confident59 Ų5949.6 Ų49.626%0.25927%0.266SS..SBendtrans-82.5163.8177.7-66.1-65.3000111.5P49 A114 L118P49-F53 WeakPolarHBondContact O-CD2 3.33Å; F53-A114 HydrophobicContact CE2-CB 4.31Å; F53-L118 HydrophobicContact CD2-CD1 4.42Å; F53-L118 HydrophobicContact CD2-CD2 4.36Å; F53-L118 HydrophobicContact CE1-CD2 4.31Å; F53-L118 HydrophobicContact CE2-CB 4Å; F53-L118 HydrophobicContact CE2-CD1 4.39Å; F53-L118 HydrophobicContact CE2-CD2 3.83Å; F53-L118 HydrophobicContact CE2-CG 4.3Å; F53-L118 HydrophobicContact CZ-CB 4.49Å; F53-L118 HydrophobicContact CZ-CD2 3.8Å
54P73.1Confident84.3Confident88 Ų8850.2 Ų50.257%0.57127%0.267SS*.THydrogen-bonded Turntrans-50.5139175.3-13.815000110.9F57P54-F57 HydrophobicContact CB-CE1 4.43Å; P54-F57 HydrophobicContact CB-CE2 3.83Å; P54-F57 HydrophobicContact CB-CZ 3.72Å; P54-F57 HydrophobicContact CG-CE1 3.88Å; P54-F57 HydrophobicContact CG-CE2 4.1Å; P54-F57 HydrophobicContact CG-CZ 3.45Å; P54-F57 VanDerWaalsContact CG-CZ 3.45Å
55P75.1Confident84.8Confident109 Ų10947.6 Ų47.671%0.70825%0.249SC*.THydrogen-bonded Turncis-98.5-13.717.534.7-34.5000117
56N81.4Confident85Confident84 Ų8446.1 Ų46.145%0.44924%0.241SC..THydrogen-bonded Turntrans-86.8-25.6-167.4-70.4-59.9000114.9Y51 W58Y51-N56 HydrophobicContact CD1-CB 4.3Å; Y51-N56 WeakPolarHBondContact CD1-ND2 3.39Å; N56-W58 PolarHBondContact O-N 2.97Å
57F84Confident85.1Confident109 Ų10947.1 Ų47.148%0.47825%0.246SC..  trans45.256.2176.7-67.8-76000115Y51 P54 I59Y51-F57 PolarHBondContact O-N 3.04Å; P54-F57 HydrophobicContact CB-CE1 4.43Å; P54-F57 HydrophobicContact CB-CE2 3.83Å; P54-F57 HydrophobicContact CB-CZ 3.72Å; P54-F57 HydrophobicContact CG-CE1 3.88Å; P54-F57 HydrophobicContact CG-CE2 4.1Å; P54-F57 HydrophobicContact CG-CZ 3.45Å; P54-F57 VanDerWaalsContact CG-CZ 3.45Å; F57-I59 HydrophobicContact CB-CD1 4.4Å; F57-I59 HydrophobicContact CB-CG1 4.46Å; F57-I59 PolarHBondContact O-N 3.03Å
58W86.4Confident85.3Confident59 Ų5947.3 Ų47.322%0.22325%0.247CC..  trans-74.362177.3-716.4000112.9C44 Y51 N56 W60 T61C44-W58 HydrophobicContact CB-CH2 4.3Å; C44-W58 HydrophobicContact CB-CZ3 4.21Å; Y51-W58 HydrophobicContact CD2-CE3 4.33Å; Y51-W58 HydrophobicContact CD2-CH2 4.31Å; Y51-W58 AromaticContact CD2-CZ3 3.96Å; Y51-W58 HydrophobicContact CD2-CZ3 3.96Å; Y51-W58 HydrophobicContact CG-CD2 4.39Å; Y51-W58 HydrophobicContact CG-CE3 4.17Å; Y51-W58 HydrophobicContact CG-CH2 4.38Å; Y51-W58 HydrophobicContact CG-CZ3 4.15Å; Y51-W58 PolarHBondContact O-N 3.05Å; N56-W58 PolarHBondContact O-N 2.97Å; W58-W60 VanDerWaalsContact C-N 3.26Å; W58-W60 HydrophobicContact CB-CH2 3.99Å; W58-W60 HydrophobicContact CB-CZ2 3.82Å; W58-W60 HydrophobicContact CB-CZ3 4.38Å; W58-W60 AromaticContact CD1-CH2 3.13Å; W58-W60 AromaticContact CD1-CZ2 3.47Å; W58-W60 VanDerWaalsContact CD1-CZ2 3.47Å; W58-W60 AromaticContact CD1-CZ3 3.96Å; W58-W60 HydrophobicContact CD2-CH2 4.27Å; W58-W60 AromaticContact CD2-CZ2 3.8Å; W58-W60 HydrophobicContact CD2-CZ2 3.8Å; W58-W60 AromaticContact CG-CH2 3.55Å; W58-W60 HydrophobicContact CG-CH2 3.55Å; W58-W60 AromaticContact CG-CZ2 3.43Å; W58-W60 HydrophobicContact CG-CZ2 3.43Å; W58-W60 VanDerWaalsContact CG-CZ2 3.43Å; W58-W60 HydrophobicContact CG-CZ3 4.34Å; W58-W60 AromaticContact NE1-CH2 3.62Å; W58-W60 AromaticContact NE1-CZ2 3.82Å; W58-W60 PolarHBondContact O-N 2.92Å; W58-T61 HydrophobicContact CB-CG2 3.85Å; W58-T61 HydrophobicContact CE3-CG2 4.22Å; W58-T61 WeakPolarHBondContact O-CB 3.36Å; W58-T61 WeakPolarHBondContact O-CG2 3.48Å; W58-T61 PolarHBondContact O-N 3.45Å; W58-T61 VanDerWaalsContact O-N 3.13Å; W58-T61 PolarHBondContact O-OG1 2.8Å
59I88.3Confident85.4Confident107 Ų10747.4 Ų47.455%0.54925%0.247SC..THydrogen-bonded Turntrans-64.2-30.9-172.5-60157.7000111.8F57 T61 L62F57-I59 HydrophobicContact CB-CD1 4.4Å; F57-I59 HydrophobicContact CB-CG1 4.46Å; F57-I59 PolarHBondContact O-N 3.03Å; I59-T61 PolarHBondContact O-N 3.03Å; I59-L62 HydrophobicContact CG2-CD1 4.38Å; I59-L62 WeakPolarHBondContact O-CB 3.47Å; I59-L62 PolarHBondContact O-N 2.92Å; I59-L62 VanDerWaalsContact O-N 3.12Å
60W88.5Confident85.5Confident129 Ų12950.3 Ų50.349%0.48926%0.26SS..THydrogen-bonded Turntrans-60.1-27.4177.663.485.3000112.6C44 W58 L62 A63 T64C44-W60 PolarHBondContact O-NE1 2.86Å; W58-W60 VanDerWaalsContact C-N 3.26Å; W58-W60 HydrophobicContact CB-CH2 3.99Å; W58-W60 HydrophobicContact CB-CZ2 3.82Å; W58-W60 HydrophobicContact CB-CZ3 4.38Å; W58-W60 AromaticContact CD1-CH2 3.13Å; W58-W60 AromaticContact CD1-CZ2 3.47Å; W58-W60 VanDerWaalsContact CD1-CZ2 3.47Å; W58-W60 AromaticContact CD1-CZ3 3.96Å; W58-W60 HydrophobicContact CD2-CH2 4.27Å; W58-W60 AromaticContact CD2-CZ2 3.8Å; W58-W60 HydrophobicContact CD2-CZ2 3.8Å; W58-W60 AromaticContact CG-CH2 3.55Å; W58-W60 HydrophobicContact CG-CH2 3.55Å; W58-W60 AromaticContact CG-CZ2 3.43Å; W58-W60 HydrophobicContact CG-CZ2 3.43Å; W58-W60 VanDerWaalsContact CG-CZ2 3.43Å; W58-W60 HydrophobicContact CG-CZ3 4.34Å; W58-W60 AromaticContact NE1-CH2 3.62Å; W58-W60 AromaticContact NE1-CZ2 3.82Å; W58-W60 PolarHBondContact O-N 2.92Å; W60-L62 PolarHBondContact O-N 3.11Å; W60-A63 PolarHBondContact O-N 3.26Å; W60-T64 PolarHBondContact O-N 2.82Å; W60-T64 VanDerWaalsContact O-N 3.07Å; W60-T64 PolarHBondContact O-OG1 3.23Å
61T90Very high85.8Confident1 Ų154.9 Ų54.91%0.00628%0.279CS..Hα-helixtrans-59.3-30.1178.162.50000112.2C44 A46 V47 W58 I59 A63 T64 H65C44-T61 VanDerWaalsContact O-CG2 3.29Å; C44-T61 WeakPolarHBondContact O-CG2 3.3Å; A46-T61 WeakPolarHBondContact O-CG2 3.44Å; V47-T61 VanDerWaalsContact CG2-O 3.31Å; V47-T61 WeakPolarHBondContact CG2-O 3.41Å; W58-T61 HydrophobicContact CB-CG2 3.85Å; W58-T61 HydrophobicContact CE3-CG2 4.22Å; W58-T61 WeakPolarHBondContact O-CB 3.36Å; W58-T61 WeakPolarHBondContact O-CG2 3.48Å; W58-T61 PolarHBondContact O-N 3.45Å; W58-T61 VanDerWaalsContact O-N 3.13Å; W58-T61 PolarHBondContact O-OG1 2.8Å; I59-T61 PolarHBondContact O-N 3.03Å; T61-A63 PolarHBondContact O-N 3.26Å; T61-T64 WeakPolarHBondContact CA-OG1 3.31Å; T61-T64 PolarHBondContact O-N 3.34Å; T61-H65 VanDerWaalsContact O-CB 3.31Å; T61-H65 WeakPolarHBondContact O-CB 3.35Å; T61-H65 PolarHBondContact O-N 2.92Å; T61-H65 PolarHBondContact O-ND1 2.99Å
62L89.2Confident86Confident20 Ų2055.3 Ų55.311%0.10529%0.29CS..Hα-helixtrans-62.4-28.9175.8-62.9177.6000112.8V47 L52 I59 W60 H65 V107V47-L62 HydrophobicContact CG2-CD2 4.16Å; L52-L62 HydrophobicContact CD1-CD1 4.06Å; L52-L62 HydrophobicContact CD1-CD2 3.94Å; L52-L62 HydrophobicContact CD1-CG 3.82Å; L52-L62 HydrophobicContact CD2-CD2 3.95Å; I59-L62 HydrophobicContact CG2-CD1 4.38Å; I59-L62 WeakPolarHBondContact O-CB 3.47Å; I59-L62 PolarHBondContact O-N 2.92Å; I59-L62 VanDerWaalsContact O-N 3.12Å; W60-L62 PolarHBondContact O-N 3.11Å; L62-H65 PolarHBondContact O-CE1 3.33Å; L62-H65 PolarHBondContact O-ND1 2.83Å; L62-H65 VanDerWaalsContact O-ND1 3.08Å; L62-V107 HydrophobicContact CB-CG2 4.42Å
63A87.3Confident86.2Confident58 Ų5864.5 Ų64.548%0.47932%0.323SS..Hα-helixtrans-89.8-38175.200000111.9W60 T61W60-A63 PolarHBondContact O-N 3.26Å; T61-A63 PolarHBondContact O-N 3.26Å
64T89.2Confident86.6Confident30 Ų3064.2 Ų64.218%0.18433%0.325CS..Hα-helixtrans-84.8-28-170.156.50000114.2L45 W60 T61 G66 L67 M68L45-T64 HydrophobicContact CD2-CG2 3.95Å; L45-T64 PolarHBondContact O-OG1 3.02Å; W60-T64 PolarHBondContact O-N 2.82Å; W60-T64 VanDerWaalsContact O-N 3.07Å; W60-T64 PolarHBondContact O-OG1 3.23Å; T61-T64 WeakPolarHBondContact CA-OG1 3.31Å; T61-T64 PolarHBondContact O-N 3.34Å; T64-G66 VanDerWaalsContact C-N 3.28Å; T64-G66 PolarHBondContact O-N 2.97Å; T64-L67 PolarHBondContact O-N 3.39Å; T64-L67 VanDerWaalsContact O-N 3.12Å; T64-M68 PolarHBondContact O-N 3.48Å
65H90.5Very high87.4Confident1 Ų160.6 Ų60.61%0.00530%0.301CS..G310 helixtrans-62.3-32.9-173.574-71.9000114.1L45 V47 T61 L62 L67 M68 N106 I135 G137L45-H65 WeakPolarHBondContact O-CA 3.35Å; L45-H65 PolarHBondContact O-N 3.36Å; V47-H65 HydrophobicContact CB-CB 4.32Å; V47-H65 HydrophobicContact CG2-CB 3.76Å; T61-H65 VanDerWaalsContact O-CB 3.31Å; T61-H65 WeakPolarHBondContact O-CB 3.35Å; T61-H65 PolarHBondContact O-N 2.92Å; T61-H65 PolarHBondContact O-ND1 2.99Å; L62-H65 PolarHBondContact O-CE1 3.33Å; L62-H65 PolarHBondContact O-ND1 2.83Å; L62-H65 VanDerWaalsContact O-ND1 3.08Å; H65-L67 PolarHBondContact O-N 3.12Å; H65-M68 PolarHBondContact O-N 2.87Å; H65-N106 PolarHBondContact CE1-O 3.02Å; H65-N106 PolarHBondContact NE2-O 2.94Å; H65-I135 WeakPolarHBondContact CB-O 3.31Å; H65-G137 PolarHBondContact O-N 2.78Å
66G87.1Confident88.2Confident0 Ų057.6 Ų57.60%029%0.285CS..G310 helixtrans-74.1-14-179.700000114.1T64 A138T64-G66 VanDerWaalsContact C-N 3.28Å; T64-G66 PolarHBondContact O-N 2.97Å; G66-A138 WeakPolarHBondContact O-CA 3.38Å; G66-A138 WeakPolarHBondContact O-CB 3.32Å; G66-A138 PolarHBondContact O-N 3.31Å
67L89.3Confident88.7Confident25 Ų2557.2 Ų57.213%0.13128%0.283CS..G310 helixtrans-99.3-9.2176.1-64.8167.9000112.5L26 A29 V30 L33 T64 H65 F102L26-L67 HydrophobicContact CD2-CD2 4.18Å; A29-L67 HydrophobicContact CB-CD1 4.2Å; A29-L67 HydrophobicContact CB-CD2 4.4Å; V30-L67 HydrophobicContact CG2-CB 4.48Å; V30-L67 HydrophobicContact CG2-CD2 3.77Å; L33-L67 HydrophobicContact CD1-CB 3.48Å; L33-L67 VanDerWaalsContact CD1-CB 3.48Å; L33-L67 HydrophobicContact CD1-CD1 4.39Å; T64-L67 PolarHBondContact O-N 3.39Å; T64-L67 VanDerWaalsContact O-N 3.12Å; H65-L67 PolarHBondContact O-N 3.12Å; L67-F102 HydrophobicContact CD2-CE1 4.18Å; L67-F102 HydrophobicContact CD2-CE2 4.32Å; L67-F102 HydrophobicContact CD2-CZ 3.46Å; L67-F102 VanDerWaalsContact CD2-CZ 3.46Å; L67-F102 HydrophobicContact CG-CE1 4.42Å; L67-F102 HydrophobicContact CG-CZ 3.91Å
68M88.9Confident89.1Confident3 Ų352.2 Ų52.22%0.01526%0.261CS..  trans-93.5117.3-174.9-175.167.5-15800110.4L33 S37 T42 T64 H65 G137L33-M68 HydrophobicContact CB-SD 4.16Å; S37-M68 VanDerWaalsContact CB-CE 3.46Å; S37-M68 WeakPolarHBondContact OG-CE 3.16Å; T42-M68 VanDerWaalsContact CB-CE 3.47Å; T42-M68 HydrophobicContact CG2-CE 3.73Å; T42-M68 HydrophobicContact CG2-SD 4.07Å; T42-M68 WeakPolarHBondContact OG1-CE 3.39Å; T64-M68 PolarHBondContact O-N 3.48Å; H65-M68 PolarHBondContact O-N 2.87Å; M68-G137 WeakPolarHBondContact O-CA 3.34Å; M68-G137 PolarHBondContact O-N 2.72Å
69E90.1Very high89.4Confident9 Ų952 Ų524%0.04226%0.264CS..  trans-119.3148.6175.5-61.9-64.5-179.500110.6V30 Y34 D74 V75 G137 A138V30-E69 HydrophobicContact CG1-CG 4.41Å; Y34-E69 WeakPolarHBondContact CD2-O 3.21Å; E69-D74 HydrophobicContact CB-CB 4.33Å; E69-D74 HydrophobicContact CG-CB 4.36Å; E69-D74 VanDerWaalsContact OE2-CB 3.3Å; E69-D74 WeakPolarHBondContact OE2-CB 3.43Å; E69-V75 HydrophobicContact CB-CG2 3.55Å; E69-V75 HydrophobicContact CG-CG2 4.2Å; E69-G137 WeakPolarHBondContact OE1-CA 3.32Å; E69-G137 WeakPolarHBondContact OE2-CA 3.42Å; E69-A138 WeakPolarHBondContact OE1-CB 3.36Å; E69-A138 PolarHBondContact OE1-N 3.38Å
70Q85.9Confident89.5Confident61 Ų6151 Ų5129%0.28526%0.263SS..  trans-107.5-31.5-179.8-68-177.3-0.800112.6H136Q70-H136 PolarHBondContact NE2-NE2 2.84Å
71H88.6Confident89.7Confident105 Ų10545.2 Ų45.249%0.48624%0.242SC..SBendtrans-106.4143.4-178.6-56.3-63000111.4W73 D74 V75H71-W73 PolarHBondContact O-N 3.19Å; H71-D74 HydrophobicContact CB-CB 4.49Å; H71-D74 WeakPolarHBondContact CB-OD2 3.21Å; H71-D74 IonicContact CD2-OD2 3.86Å; H71-D74 PolarHBondContact CD2-OD2 3.1Å; H71-D74 VanDerWaalsContact CD2-OD2 3.27Å; H71-D74 IonicContact CG-OD2 3.7Å; H71-D74 PolarHBondContact O-N 3.08Å; H71-V75 WeakPolarHBondContact O-CG2 3.05Å; H71-V75 PolarHBondContact O-N 3.07Å
72V88.3Confident89.8Confident89 Ų8945.3 Ų45.354%0.53924%0.243SC..Hα-helixtrans-55.4-37.4176.8-178.70000111.4Y34 V75 A76Y34-V72 WeakPolarHBondContact OH-CG2 3.4Å; V72-V75 WeakPolarHBondContact O-CB 3.25Å; V72-V75 PolarHBondContact O-N 3.31Å; V72-A76 PolarHBondContact O-N 3.38Å
73W88.6Confident89.9Confident208 Ų20845.7 Ų45.779%0.78825%0.245SC*.Hα-helixtrans-66.9-39178.9-54.2110.3000112H71 A76 I77H71-W73 PolarHBondContact O-N 3.19Å; W73-A76 WeakPolarHBondContact O-CB 3.35Å; W73-A76 PolarHBondContact O-N 3.08Å; W73-I77 VanDerWaalsContact O-CG1 3.31Å; W73-I77 WeakPolarHBondContact O-CG1 3.39Å; W73-I77 PolarHBondContact O-N 3.18Å
74D88Confident90.1Very high53 Ų5345.5 Ų45.528%0.28324%0.238SC..Hα-helixtrans-68.3-38176.1-60.2-34.5000111.1E69 H71 A76 I77 S78E69-D74 HydrophobicContact CB-CB 4.33Å; E69-D74 HydrophobicContact CG-CB 4.36Å; E69-D74 VanDerWaalsContact OE2-CB 3.3Å; E69-D74 WeakPolarHBondContact OE2-CB 3.43Å; H71-D74 HydrophobicContact CB-CB 4.49Å; H71-D74 WeakPolarHBondContact CB-OD2 3.21Å; H71-D74 IonicContact CD2-OD2 3.86Å; H71-D74 PolarHBondContact CD2-OD2 3.1Å; H71-D74 VanDerWaalsContact CD2-OD2 3.27Å; H71-D74 IonicContact CG-OD2 3.7Å; H71-D74 PolarHBondContact O-N 3.08Å; D74-A76 VanDerWaalsContact C-N 3.32Å; D74-A76 PolarHBondContact O-N 3.36Å; D74-I77 PolarHBondContact O-N 2.77Å; D74-S78 WeakPolarHBondContact O-CB 3.41Å; D74-S78 PolarHBondContact O-N 3.13Å; D74-S78 PolarHBondContact O-OG 3.29Å
75V91.1Very high90.2Very high12 Ų1244.1 Ų44.17%0.07323%0.23CC..Hα-helixtrans-58.9-42.9170.8176.90000111.4V30 L31 Y34 E69 H71 V72 S78 L79V30-V75 HydrophobicContact CG1-CG1 4.26Å; L31-V75 HydrophobicContact CD2-CG1 3.98Å; Y34-V75 HydrophobicContact CD1-CG2 4.02Å; Y34-V75 HydrophobicContact CD2-CG2 3.46Å; Y34-V75 VanDerWaalsContact CD2-CG2 3.46Å; Y34-V75 HydrophobicContact CE1-CG2 4.38Å; Y34-V75 HydrophobicContact CE2-CG2 3.89Å; Y34-V75 HydrophobicContact CG-CG2 3.55Å; E69-V75 HydrophobicContact CB-CG2 3.55Å; E69-V75 HydrophobicContact CG-CG2 4.2Å; H71-V75 WeakPolarHBondContact O-CG2 3.05Å; H71-V75 PolarHBondContact O-N 3.07Å; V72-V75 WeakPolarHBondContact O-CB 3.25Å; V72-V75 PolarHBondContact O-N 3.31Å; V75-S78 WeakPolarHBondContact CA-OG 3.47Å; V75-S78 PolarHBondContact O-N 3.02Å; V75-S78 PolarHBondContact O-OG 2.95Å; V75-L79 VanDerWaalsContact O-CB 3.23Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 PolarHBondContact O-N 3.22Å
76A92.1Very high90.1Very high46 Ų4644.6 Ų44.638%0.3824%0.235SC..Hα-helixtrans-65.3-41.3178.300000111.8V72 W73 D74 T80V72-A76 PolarHBondContact O-N 3.38Å; W73-A76 WeakPolarHBondContact O-CB 3.35Å; W73-A76 PolarHBondContact O-N 3.08Å; D74-A76 VanDerWaalsContact C-N 3.32Å; D74-A76 PolarHBondContact O-N 3.36Å; A76-T80 VanDerWaalsContact O-CB 3.31Å; A76-T80 WeakPolarHBondContact O-CB 3.45Å; A76-T80 PolarHBondContact O-N 3.18Å; A76-T80 PolarHBondContact O-OG1 2.93Å
77I91.6Very high90.2Very high77 Ų7750.2 Ų50.240%0.39526%0.256SS..Hα-helixtrans-65.8-45.9176.4-67.1165000110.5W73 D74 T80 T81 L142W73-I77 VanDerWaalsContact O-CG1 3.31Å; W73-I77 WeakPolarHBondContact O-CG1 3.39Å; W73-I77 PolarHBondContact O-N 3.18Å; D74-I77 PolarHBondContact O-N 2.77Å; I77-T80 PolarHBondContact O-N 3.36Å; I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 PolarHBondContact O-N 3.49Å; I77-T81 PolarHBondContact O-OG1 3.5Å; I77-L142 HydrophobicContact CG2-CD2 4.01Å
78S92.1Very high90.2Very high3 Ų351.9 Ų51.92%0.02127%0.265CS..Hα-helixtrans-65-44.1-179.865.60000111.6V30 D74 V75 T80 T81 V82V30-S78 WeakPolarHBondContact CG1-OG 3.2Å; D74-S78 WeakPolarHBondContact O-CB 3.41Å; D74-S78 PolarHBondContact O-N 3.13Å; D74-S78 PolarHBondContact O-OG 3.29Å; V75-S78 WeakPolarHBondContact CA-OG 3.47Å; V75-S78 PolarHBondContact O-N 3.02Å; V75-S78 PolarHBondContact O-OG 2.95Å; S78-T80 VanDerWaalsContact C-N 3.35Å; S78-T80 PolarHBondContact O-N 2.85Å; S78-T81 WeakPolarHBondContact O-CB 3.46Å; S78-T81 PolarHBondContact O-N 3.5Å; S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 3.06Å
79L92.6Very high90.2Very high55 Ų5551.7 Ų51.729%0.28826%0.264SS..Hα-helixtrans-60.5-45.4175.2-177.564.9000111.4C27 V75 T81 V82 V83C27-L79 HydrophobicContact CB-CD1 3.5Å; C27-L79 WeakPolarHBondContact SG-CD1 3.45Å; V75-L79 VanDerWaalsContact O-CB 3.23Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 PolarHBondContact O-N 3.22Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 3.2Å; L79-V82 PolarHBondContact O-N 3.45Å; L79-V83 HydrophobicContact CD1-CG2 4.45Å; L79-V83 WeakPolarHBondContact O-CB 3.34Å; L79-V83 VanDerWaalsContact O-CG2 3.25Å; L79-V83 WeakPolarHBondContact O-CG2 3.5Å; L79-V83 PolarHBondContact O-N 3.02Å
80T91.5Very high90.1Very high85 Ų8552.7 Ų52.752%0.52127%0.268SS..Hα-helixtrans-61.2-44177.2-58.60000110.6A76 I77 S78 V82 V83 V84A76-T80 VanDerWaalsContact O-CB 3.31Å; A76-T80 WeakPolarHBondContact O-CB 3.45Å; A76-T80 PolarHBondContact O-N 3.18Å; A76-T80 PolarHBondContact O-OG1 2.93Å; I77-T80 PolarHBondContact O-N 3.36Å; S78-T80 VanDerWaalsContact C-N 3.35Å; S78-T80 PolarHBondContact O-N 2.85Å; T80-V82 PolarHBondContact O-N 3.48Å; T80-V83 PolarHBondContact O-N 3.31Å; T80-V84 HydrophobicContact CG2-CG2 4.25Å; T80-V84 WeakPolarHBondContact O-CB 3.33Å; T80-V84 WeakPolarHBondContact O-CG2 3.11Å; T80-V84 PolarHBondContact O-N 3.28Å
81T91.9Very high90.2Very high8 Ų854.7 Ų54.75%0.04929%0.287CS..Hα-helixtrans-60.1-48.1178.6-57.60000111.4I77 S78 L79 V84 A85 F141 L142 V145I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 PolarHBondContact O-N 3.49Å; I77-T81 PolarHBondContact O-OG1 3.5Å; S78-T81 WeakPolarHBondContact O-CB 3.46Å; S78-T81 PolarHBondContact O-N 3.5Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 3.2Å; T81-V84 PolarHBondContact O-N 3.49Å; T81-A85 WeakPolarHBondContact O-CB 3.49Å; T81-A85 PolarHBondContact O-N 3.36Å; T81-F141 HydrophobicContact CG2-CD1 3.87Å; T81-F141 HydrophobicContact CG2-CE1 4.08Å; T81-L142 HydrophobicContact CG2-CB 4.04Å; T81-L142 HydrophobicContact CG2-CD1 3.94Å; T81-L142 WeakPolarHBondContact OG1-CD1 3.27Å; T81-V145 HydrophobicContact CG2-CB 4.08Å; T81-V145 HydrophobicContact CG2-CG1 4.41Å; T81-V145 HydrophobicContact CG2-CG2 3.86Å
82V92.6Very high90.1Very high4 Ų454.7 Ų54.72%0.02429%0.29CS..Hα-helixtrans-65.2-40.1179.6172.30000111.2V23 L26 S78 L79 T80 A85 G86 F141V23-V82 HydrophobicContact CG1-CG1 4.06Å; L26-V82 HydrophobicContact CB-CG1 3.81Å; L26-V82 HydrophobicContact CD1-CG1 4.27Å; S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 3.06Å; L79-V82 PolarHBondContact O-N 3.45Å; T80-V82 PolarHBondContact O-N 3.48Å; V82-A85 PolarHBondContact O-N 3.44Å; V82-G86 PolarHBondContact O-N 2.98Å; V82-F141 HydrophobicContact CG2-CD1 4.43Å; V82-F141 HydrophobicContact CG2-CE1 4.09Å
83V91.6Very high90Very high27 Ų2752.2 Ų52.216%0.16427%0.271CS..Hα-helixtrans-67.1-42.5176.5170.80000111.7I15 L79 T80 G86 R87I15-V83 HydrophobicContact CG2-CG1 3.63Å; L79-V83 HydrophobicContact CD1-CG2 4.45Å; L79-V83 WeakPolarHBondContact O-CB 3.34Å; L79-V83 VanDerWaalsContact O-CG2 3.25Å; L79-V83 WeakPolarHBondContact O-CG2 3.5Å; L79-V83 PolarHBondContact O-N 3.02Å; T80-V83 PolarHBondContact O-N 3.31Å; V83-G86 PolarHBondContact O-N 3.42Å; V83-R87 PolarHBondContact O-N 2.94Å
84V90.3Very high90.1Very high55 Ų5543.8 Ų43.833%0.33325%0.249SC..Hα-helixtrans-63.4-44.6176169.40000110.5T80 T81 G86 R87 L88T80-V84 HydrophobicContact CG2-CG2 4.25Å; T80-V84 WeakPolarHBondContact O-CB 3.33Å; T80-V84 WeakPolarHBondContact O-CG2 3.11Å; T80-V84 PolarHBondContact O-N 3.28Å; T81-V84 PolarHBondContact O-N 3.49Å; V84-G86 PolarHBondContact O-N 2.92Å; V84-R87 PolarHBondContact O-N 3.42Å; V84-L88 HydrophobicContact CG1-CD1 3.74Å; V84-L88 HydrophobicContact CG1-CG 4.41Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 WeakPolarHBondContact O-CG 3.28Å; V84-L88 PolarHBondContact O-N 3.07Å
85A91Very high90.1Very high1 Ų142.8 Ų42.81%0.00825%0.248CC..Hα-helixtrans-60-45.9174.700000111.5T81 V82 R87 L89 E90 L98 F141 V145T81-A85 WeakPolarHBondContact O-CB 3.49Å; T81-A85 PolarHBondContact O-N 3.36Å; V82-A85 PolarHBondContact O-N 3.44Å; A85-R87 VanDerWaalsContact C-N 3.3Å; A85-R87 PolarHBondContact O-N 3.24Å; A85-L89 HydrophobicContact CB-CD2 4.3Å; A85-L89 WeakPolarHBondContact O-CA 3.35Å; A85-L89 VanDerWaalsContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CB 3.29Å; A85-L89 PolarHBondContact O-N 3.3Å; A85-E90 PolarHBondContact O-N 2.95Å; A85-L98 HydrophobicContact CB-CD1 4.21Å; A85-F141 HydrophobicContact CB-CE1 4.35Å; A85-F141 HydrophobicContact CB-CZ 4.16Å; A85-V145 HydrophobicContact CB-CG1 4.2Å; A85-V145 HydrophobicContact CB-CG2 3.83Å
86G90.1Very high90.1Very high10 Ų1047.8 Ų47.810%0.10327%0.274CS..Hα-helixtrans-59.2-35.9175.600000114.4V82 V83 V84 E90V82-G86 PolarHBondContact O-N 2.98Å; V83-G86 PolarHBondContact O-N 3.42Å; V84-G86 PolarHBondContact O-N 2.92Å; G86-E90 WeakPolarHBondContact O-CB 3.37Å
87R89.1Confident90Very high118 Ų11847.5 Ų47.545%0.44526%0.264SS..Hα-helixtrans-84.3-34.5-178.7-77.1-164.5152.8-154-7.1114.5I15 S18 V83 V84 A85 P91I15-R87 VanDerWaalsContact CA-NH2 3.3Å; I15-R87 VanDerWaalsContact CG1-CZ 3.5Å; S18-R87 PolarHBondContact OG-NH2 3.12Å; S18-R87 VanDerWaalsContact OG-NH2 3.09Å; V83-R87 PolarHBondContact O-N 2.94Å; V84-R87 PolarHBondContact O-N 3.42Å; A85-R87 VanDerWaalsContact C-N 3.3Å; A85-R87 PolarHBondContact O-N 3.24Å; R87-P91 WeakPolarHBondContact O-CD 3.39Å; R87-P91 WeakPolarHBondContact O-CG 3.28Å
88L88.1Confident90Very high60 Ų6044 Ų4431%0.31425%0.246SC..Hα-helixtrans-100.3-41.4-172.3-59.5-178.8000112.4V84 L92 L149 M153V84-L88 HydrophobicContact CG1-CD1 3.74Å; V84-L88 HydrophobicContact CG1-CG 4.41Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 WeakPolarHBondContact O-CG 3.28Å; V84-L88 PolarHBondContact O-N 3.07Å; L88-L92 VanDerWaalsContact O-CD1 3.25Å; L88-L92 WeakPolarHBondContact O-CD1 3.46Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L88-L149 HydrophobicContact CD1-CD1 3.54Å; L88-M153 HydrophobicContact CD1-CE 3.93Å; L88-M153 HydrophobicContact CD2-CE 3.84Å; L88-M153 HydrophobicContact CG-CE 4.36Å
89L88.4Confident90Very high0 Ų047.3 Ų47.30%026%0.264CS..THydrogen-bonded Turntrans-90.8-37.2-175.4-74.252.1000111.4A85 L92 W93 L98 A148A85-L89 HydrophobicContact CB-CD2 4.3Å; A85-L89 WeakPolarHBondContact O-CA 3.35Å; A85-L89 VanDerWaalsContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CB 3.29Å; A85-L89 PolarHBondContact O-N 3.3Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 2.61Å; L89-L92 VanDerWaalsContact O-N 3.1Å; L89-W93 HydrophobicContact CB-CD2 4.25Å; L89-W93 HydrophobicContact CB-CE3 4.13Å; L89-W93 HydrophobicContact CB-CH2 4.46Å; L89-W93 HydrophobicContact CB-CZ3 4.24Å; L89-W93 HydrophobicContact CD2-CE3 4.42Å; L89-W93 HydrophobicContact CD2-CH2 3.66Å; L89-W93 HydrophobicContact CD2-CZ2 4.3Å; L89-W93 HydrophobicContact CD2-CZ3 3.72Å; L89-W93 HydrophobicContact CG-CE3 4.48Å; L89-W93 HydrophobicContact CG-CH2 3.93Å; L89-W93 HydrophobicContact CG-CZ2 4.07Å; L89-W93 HydrophobicContact CG-CZ3 4.14Å; L89-W93 PolarHBondContact O-N 2.91Å; L89-L98 HydrophobicContact CB-CD1 4.23Å; L89-L98 HydrophobicContact CD2-CD1 4.27Å; L89-A148 HydrophobicContact CD1-CB 4.49Å; L89-A148 HydrophobicContact CD2-CB 3.61Å; L89-A148 HydrophobicContact CG-CB 4.13Å
90E89.7Confident90Very high29 Ų2947.8 Ų47.814%0.13627%0.266CS..Hα-helixtrans-61.2-42.9-175.5-155.3-171.3144.600114.4S20 V23 A85 G86 L92 W93 G94 A95 L98S20-E90 WeakPolarHBondContact CB-OE1 3.3Å; S20-E90 WeakPolarHBondContact CB-OE2 3.49Å; S20-E90 PolarHBondContact OG-OE1 3.28Å; S20-E90 VanDerWaalsContact OG-OE1 3.05Å; S20-E90 PolarHBondContact OG-OE2 2.98Å; V23-E90 VanDerWaalsContact CG2-OE2 3.29Å; V23-E90 WeakPolarHBondContact CG2-OE2 3.06Å; A85-E90 PolarHBondContact O-N 2.95Å; G86-E90 WeakPolarHBondContact O-CB 3.37Å; E90-L92 PolarHBondContact O-N 3.04Å; E90-W93 PolarHBondContact O-N 3.47Å; E90-G94 WeakPolarHBondContact O-CA 3.39Å; E90-G94 PolarHBondContact O-N 2.78Å; E90-A95 HydrophobicContact CG-CB 4.2Å; E90-A95 WeakPolarHBondContact OE1-CB 3.35Å; E90-L98 HydrophobicContact CB-CD2 4Å; E90-L98 HydrophobicContact CG-CD2 4.08Å
91P88Confident90.1Very high103 Ų10343.8 Ų43.867%0.66924%0.241SC*.Hα-helixtrans-65-23.6177.1-2235.2000113R87R87-P91 WeakPolarHBondContact O-CD 3.39Å; R87-P91 WeakPolarHBondContact O-CG 3.28Å
92L85.6Confident90.2Very high105 Ų10543.9 Ų43.955%0.5524%0.241SC..Hα-helixtrans-86.2-37.1-178.5-60.6175.5000112.2L88 L89 E90 T152L88-L92 VanDerWaalsContact O-CD1 3.25Å; L88-L92 WeakPolarHBondContact O-CD1 3.46Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 2.61Å; L89-L92 VanDerWaalsContact O-N 3.1Å; E90-L92 PolarHBondContact O-N 3.04Å; L92-T152 HydrophobicContact CD1-CG2 3.45Å; L92-T152 VanDerWaalsContact CD1-CG2 3.45Å
93W87.1Confident90.2Very high37 Ų3746.2 Ų46.214%0.1426%0.257CS..Hα-helixtrans-109.6-24.2-172.1-54.1-12.6000113.5L89 E90 E97 F101 A148 L205L89-W93 HydrophobicContact CB-CD2 4.25Å; L89-W93 HydrophobicContact CB-CE3 4.13Å; L89-W93 HydrophobicContact CB-CH2 4.46Å; L89-W93 HydrophobicContact CB-CZ3 4.24Å; L89-W93 HydrophobicContact CD2-CE3 4.42Å; L89-W93 HydrophobicContact CD2-CH2 3.66Å; L89-W93 HydrophobicContact CD2-CZ2 4.3Å; L89-W93 HydrophobicContact CD2-CZ3 3.72Å; L89-W93 HydrophobicContact CG-CE3 4.48Å; L89-W93 HydrophobicContact CG-CH2 3.93Å; L89-W93 HydrophobicContact CG-CZ2 4.07Å; L89-W93 HydrophobicContact CG-CZ3 4.14Å; L89-W93 PolarHBondContact O-N 2.91Å; E90-W93 PolarHBondContact O-N 3.47Å; W93-E97 HydrophobicContact CB-CB 3.91Å; W93-E97 WeakPolarHBondContact O-CB 3.47Å; W93-E97 WeakPolarHBondContact O-CG 3.45Å; W93-F101 HydrophobicContact CZ3-CB 4.1Å; W93-F101 AromaticContact CZ3-CD1 3.88Å; W93-F101 HydrophobicContact CZ3-CD1 3.88Å; W93-F101 HydrophobicContact CZ3-CD2 4.26Å; W93-F101 HydrophobicContact CZ3-CE1 4.35Å; W93-F101 AromaticContact CZ3-CG 3.81Å; W93-F101 HydrophobicContact CZ3-CG 3.81Å; W93-A148 HydrophobicContact CH2-CB 3.53Å; W93-A148 HydrophobicContact CZ2-CB 3.97Å; W93-L205 HydrophobicContact CH2-CD2 3.53Å; W93-L205 HydrophobicContact CZ2-CD2 3.81Å; W93-L205 HydrophobicContact CZ3-CD2 4.36Å
94G89.1Confident90.3Very high32 Ų3247.8 Ų47.833%0.3327%0.267SS..  trans88.9158.2-167.100000113.1E90 L96 E97 L98E90-G94 WeakPolarHBondContact O-CA 3.39Å; E90-G94 PolarHBondContact O-N 2.78Å; G94-L96 VanDerWaalsContact C-N 3.32Å; G94-L96 PolarHBondContact O-N 2.76Å; G94-E97 PolarHBondContact O-N 2.98Å; G94-L98 PolarHBondContact O-N 3.15Å; G94-L98 VanDerWaalsContact O-N 3.14Å
95A89.3Confident90.5Very high32 Ų3245.1 Ų45.126%0.26425%0.251SS..Hα-helixtrans-61.2-37.1-177.400000113.6V22 E90 L99V22-A95 HydrophobicContact CB-CB 4.47Å; V22-A95 HydrophobicContact CG2-CB 3.86Å; E90-A95 HydrophobicContact CG-CB 4.2Å; E90-A95 WeakPolarHBondContact OE1-CB 3.35Å; A95-L99 PolarHBondContact O-N 3.05Å; A95-L99 VanDerWaalsContact O-N 3.09Å
96L90.2Very high90.6Very high117 Ų11745.3 Ų45.361%0.61325%0.251SS*.Hα-helixtrans-68.9-47.5-178.5-170.5161000111G94 L98 L99 I100G94-L96 VanDerWaalsContact C-N 3.32Å; G94-L96 PolarHBondContact O-N 2.76Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.4Å; L96-L99 WeakPolarHBondContact O-CB 3.34Å; L96-L99 PolarHBondContact O-N 3.11Å; L96-L99 VanDerWaalsContact O-N 3.12Å; L96-I100 HydrophobicContact CD2-CD1 3.34Å; L96-I100 HydrophobicContact CD2-CG1 3.93Å; L96-I100 WeakPolarHBondContact O-CG1 3.23Å; L96-I100 PolarHBondContact O-N 3.36Å
97E90.2Very high90.8Very high40 Ų4047.7 Ų47.719%0.18726%0.264CS..Hα-helixtrans-65.2-35178.7-66.4-67.6165.100111.3W93 G94 L99 I100 F101W93-E97 HydrophobicContact CB-CB 3.91Å; W93-E97 WeakPolarHBondContact O-CB 3.47Å; W93-E97 WeakPolarHBondContact O-CG 3.45Å; G94-E97 PolarHBondContact O-N 2.98Å; E97-L99 PolarHBondContact O-N 3.08Å; E97-I100 PolarHBondContact O-N 2.92Å; E97-F101 WeakPolarHBondContact O-CB 3.33Å; E97-F101 PolarHBondContact O-N 3.43Å
98L91.6Very high90.9Very high3 Ų343.1 Ų43.12%0.01625%0.25CS..Hα-helixtrans-61.8-41.7171.6-179.164000112.1V23 A85 L89 E90 G94 L96 F101 F102V23-L98 HydrophobicContact CG2-CD2 4.21Å; A85-L98 HydrophobicContact CB-CD1 4.21Å; L89-L98 HydrophobicContact CB-CD1 4.23Å; L89-L98 HydrophobicContact CD2-CD1 4.27Å; E90-L98 HydrophobicContact CB-CD2 4Å; E90-L98 HydrophobicContact CG-CD2 4.08Å; G94-L98 PolarHBondContact O-N 3.15Å; G94-L98 VanDerWaalsContact O-N 3.14Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.4Å; L98-F101 PolarHBondContact O-N 3.49Å; L98-F102 WeakPolarHBondContact O-CB 3.31Å; L98-F102 PolarHBondContact O-N 3.34Å
99L92.6Very high91.2Very high73 Ų7340.4 Ų40.438%0.38224%0.236SC..Hα-helixtrans-67.3-40176.8-17666.9000112V22 A95 L96 E97 F101 F102 S103V22-L99 HydrophobicContact CG1-CB 4.1Å; V22-L99 HydrophobicContact CG1-CD1 4.1Å; A95-L99 PolarHBondContact O-N 3.05Å; A95-L99 VanDerWaalsContact O-N 3.09Å; L96-L99 WeakPolarHBondContact O-CB 3.34Å; L96-L99 PolarHBondContact O-N 3.11Å; L96-L99 VanDerWaalsContact O-N 3.12Å; E97-L99 PolarHBondContact O-N 3.08Å; L99-F101 VanDerWaalsContact C-N 3.35Å; L99-F102 PolarHBondContact O-N 3.44Å; L99-S103 WeakPolarHBondContact O-CB 3.39Å; L99-S103 PolarHBondContact O-N 2.88Å; L99-S103 PolarHBondContact O-OG 3.04Å
100I92.7Very high91.4Very high65 Ų6540.4 Ų40.433%0.33324%0.236SC..Hα-helixtrans-60.3-49.1172.8-69.4177.2000109.4L96 E97 F102 S103 V104 Y204L96-I100 HydrophobicContact CD2-CD1 3.34Å; L96-I100 HydrophobicContact CD2-CG1 3.93Å; L96-I100 WeakPolarHBondContact O-CG1 3.23Å; L96-I100 PolarHBondContact O-N 3.36Å; E97-I100 PolarHBondContact O-N 2.92Å; I100-F102 PolarHBondContact O-N 3.06Å; I100-S103 PolarHBondContact O-N 3.18Å; I100-S103 VanDerWaalsContact O-N 3.16Å; I100-V104 HydrophobicContact CG2-CG2 4.02Å; I100-V104 WeakPolarHBondContact O-CB 3.34Å; I100-V104 VanDerWaalsContact O-CG2 3.29Å; I100-V104 WeakPolarHBondContact O-CG2 3.28Å; I100-V104 PolarHBondContact O-N 2.86Å; I100-Y204 HydrophobicContact CG2-CE2 4.35Å; I100-Y204 WeakPolarHBondContact CG2-OH 3.45Å
101F93Very high91.5Very high0 Ų043.2 Ų43.20%025%0.252CS..Hα-helixtrans-56.9-49.5178.6175.6-110.3000111.8W93 E97 L98 L99 S103 V104 V105 F141 A148 S201 Y204 L205W93-F101 HydrophobicContact CZ3-CB 4.1Å; W93-F101 AromaticContact CZ3-CD1 3.88Å; W93-F101 HydrophobicContact CZ3-CD1 3.88Å; W93-F101 HydrophobicContact CZ3-CD2 4.26Å; W93-F101 HydrophobicContact CZ3-CE1 4.35Å; W93-F101 AromaticContact CZ3-CG 3.81Å; W93-F101 HydrophobicContact CZ3-CG 3.81Å; E97-F101 WeakPolarHBondContact O-CB 3.33Å; E97-F101 PolarHBondContact O-N 3.43Å; L98-F101 PolarHBondContact O-N 3.49Å; L99-F101 VanDerWaalsContact C-N 3.35Å; F101-S103 VanDerWaalsContact C-N 3.32Å; F101-S103 PolarHBondContact O-N 2.94Å; F101-V104 PolarHBondContact O-N 3.47Å; F101-V105 HydrophobicContact CD2-CG2 3.92Å; F101-V105 HydrophobicContact CE1-CG2 4.38Å; F101-V105 HydrophobicContact CE2-CG2 3.59Å; F101-V105 HydrophobicContact CG-CG2 4.47Å; F101-V105 HydrophobicContact CZ-CG2 3.85Å; F101-V105 WeakPolarHBondContact O-CB 3.34Å; F101-V105 VanDerWaalsContact O-CG2 3.28Å; F101-V105 WeakPolarHBondContact O-CG2 3.22Å; F101-V105 PolarHBondContact O-N 3.01Å; F101-F141 AromaticContact CD1-CE2 3.84Å; F101-F141 HydrophobicContact CD1-CE2 3.84Å; F101-F141 HydrophobicContact CE1-CD2 4.45Å; F101-F141 AromaticContact CE1-CE2 3.8Å; F101-F141 HydrophobicContact CE1-CE2 3.8Å; F101-A148 HydrophobicContact CZ-CB 4.37Å; F101-S201 VanDerWaalsContact CE2-OG 3.29Å; F101-S201 WeakPolarHBondContact CE2-OG 3.27Å; F101-S201 WeakPolarHBondContact CZ-OG 3.32Å; F101-Y204 HydrophobicContact CB-CE1 4.16Å; F101-Y204 AromaticContact CD2-CD1 3.46Å; F101-Y204 HydrophobicContact CD2-CD1 3.46Å; F101-Y204 VanDerWaalsContact CD2-CD1 3.46Å; F101-Y204 AromaticContact CD2-CE1 3.61Å; F101-Y204 HydrophobicContact CD2-CE1 3.61Å; F101-Y204 HydrophobicContact CD2-CG 4.34Å; F101-Y204 AromaticContact CE2-CD1 4Å; F101-Y204 HydrophobicContact CE2-CD1 4Å; F101-Y204 HydrophobicContact CG-CE1 4.37Å; F101-L205 HydrophobicContact CD2-CD2 4.48Å; F101-L205 HydrophobicContact CE2-CD1 4.37Å; F101-L205 HydrophobicContact CE2-CD2 4.22Å; F101-L205 HydrophobicContact CE2-CG 4.23Å
102F93.6Very high91.7Very high11 Ų1141.6 Ų41.65%0.04824%0.237CC..Hα-helixtrans-55.6-47.1174.9175.7-94.2000111.7L26 L67 L98 L99 I100 N106 F141L26-F102 HydrophobicContact CD1-CD2 4.33Å; L26-F102 HydrophobicContact CD1-CG 4.3Å; L26-F102 HydrophobicContact CD2-CD1 3.89Å; L26-F102 HydrophobicContact CD2-CE1 3.61Å; L26-F102 HydrophobicContact CD2-CE2 4.32Å; L26-F102 HydrophobicContact CD2-CG 4.37Å; L26-F102 HydrophobicContact CD2-CZ 3.85Å; L67-F102 HydrophobicContact CD2-CE1 4.18Å; L67-F102 HydrophobicContact CD2-CE2 4.32Å; L67-F102 HydrophobicContact CD2-CZ 3.46Å; L67-F102 VanDerWaalsContact CD2-CZ 3.46Å; L67-F102 HydrophobicContact CG-CE1 4.42Å; L67-F102 HydrophobicContact CG-CZ 3.91Å; L98-F102 WeakPolarHBondContact O-CB 3.31Å; L98-F102 PolarHBondContact O-N 3.34Å; L99-F102 PolarHBondContact O-N 3.44Å; I100-F102 PolarHBondContact O-N 3.06Å; F102-N106 WeakPolarHBondContact CD1-ND2 3.44Å; F102-N106 WeakPolarHBondContact CD2-ND2 3.36Å; F102-N106 WeakPolarHBondContact CE1-ND2 3.42Å; F102-N106 WeakPolarHBondContact CE2-ND2 3.36Å; F102-N106 WeakPolarHBondContact CZ-ND2 3.36Å; F102-N106 WeakPolarHBondContact O-CB 3.37Å; F102-N106 PolarHBondContact O-N 3.34Å; F102-N106 PolarHBondContact O-ND2 3.21Å; F102-F141 HydrophobicContact CB-CD2 4.46Å; F102-F141 HydrophobicContact CB-CE2 3.94Å; F102-F141 HydrophobicContact CB-CZ 4.41Å; F102-F141 HydrophobicContact CD2-CD1 4.02Å; F102-F141 AromaticContact CD2-CD2 3.67Å; F102-F141 HydrophobicContact CD2-CD2 3.67Å; F102-F141 AromaticContact CD2-CE1 4Å; F102-F141 HydrophobicContact CD2-CE1 4Å; F102-F141 AromaticContact CD2-CE2 3.66Å; F102-F141 HydrophobicContact CD2-CE2 3.66Å; F102-F141 AromaticContact CD2-CG 3.86Å; F102-F141 HydrophobicContact CD2-CG 3.86Å; F102-F141 AromaticContact CD2-CZ 3.82Å; F102-F141 HydrophobicContact CD2-CZ 3.82Å; F102-F141 HydrophobicContact CE2-CD1 4.24Å; F102-F141 HydrophobicContact CE2-CD2 4.41Å; F102-F141 HydrophobicContact CE2-CG 4.17Å; F102-F141 HydrophobicContact CG-CD2 4.48Å; F102-F141 HydrophobicContact CG-CE2 4.29Å
103S93.4Very high91.9Very high53 Ų5336.7 Ų36.737%0.37121%0.211SC..Hα-helixtrans-66.5-45.1-177.7-55.90000111.9L99 I100 F101 N106 V107L99-S103 WeakPolarHBondContact O-CB 3.39Å; L99-S103 PolarHBondContact O-N 2.88Å; L99-S103 PolarHBondContact O-OG 3.04Å; I100-S103 PolarHBondContact O-N 3.18Å; I100-S103 VanDerWaalsContact O-N 3.16Å; F101-S103 VanDerWaalsContact C-N 3.32Å; F101-S103 PolarHBondContact O-N 2.94Å; S103-N106 PolarHBondContact O-N 2.92Å; S103-V107 WeakPolarHBondContact O-CB 3.37Å; S103-V107 VanDerWaalsContact O-CG2 3.24Å; S103-V107 WeakPolarHBondContact O-CG2 3.46Å; S103-V107 PolarHBondContact O-N 2.69Å
104V93.3Very high92.1Very high59 Ų5934.9 Ų34.936%0.35821%0.205SC..Hα-helixtrans-65.1-44.1179.6171.70000111I100 F101 S108 Y204I100-V104 HydrophobicContact CG2-CG2 4.02Å; I100-V104 WeakPolarHBondContact O-CB 3.34Å; I100-V104 VanDerWaalsContact O-CG2 3.29Å; I100-V104 WeakPolarHBondContact O-CG2 3.28Å; I100-V104 PolarHBondContact O-N 2.86Å; F101-V104 PolarHBondContact O-N 3.47Å; V104-S108 VanDerWaalsContact O-CB 3.22Å; V104-S108 WeakPolarHBondContact O-CB 3.17Å; V104-S108 PolarHBondContact O-N 2.85Å; V104-S108 PolarHBondContact O-OG 2.71Å; V104-Y204 HydrophobicContact CB-CD2 4.31Å; V104-Y204 HydrophobicContact CB-CE2 4.42Å; V104-Y204 HydrophobicContact CG1-CD2 3.77Å; V104-Y204 HydrophobicContact CG1-CE2 4.32Å; V104-Y204 HydrophobicContact CG1-CG 4.42Å; V104-Y204 HydrophobicContact CG2-CD2 4.47Å; V104-Y204 HydrophobicContact CG2-CE2 4.21Å
105V93.8Very high92.2Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-64.4-46.2178.6173.60000110.6F101 S108 V109F101-V105 HydrophobicContact CD2-CG2 3.92Å; F101-V105 HydrophobicContact CE1-CG2 4.38Å; F101-V105 HydrophobicContact CE2-CG2 3.59Å; F101-V105 HydrophobicContact CG-CG2 4.47Å; F101-V105 HydrophobicContact CZ-CG2 3.85Å; F101-V105 WeakPolarHBondContact O-CB 3.34Å; F101-V105 VanDerWaalsContact O-CG2 3.28Å; F101-V105 WeakPolarHBondContact O-CG2 3.22Å; F101-V105 PolarHBondContact O-N 3.01Å; V105-S108 WeakPolarHBondContact CA-OG 3.4Å; V105-S108 PolarHBondContact O-N 3.15Å; V105-S108 PolarHBondContact O-OG 3.44Å; V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.22Å; V105-V109 WeakPolarHBondContact O-CG2 3.27Å; V105-V109 PolarHBondContact O-N 2.95Å
106N93.9Very high92.3Very high4 Ų438.6 Ų38.62%0.02121%0.211CC..Hα-helixtrans-64-50.4178.3-74.5-50.9000112.1H65 F102 S103 S108 V109 G110H65-N106 PolarHBondContact CE1-O 3.02Å; H65-N106 PolarHBondContact NE2-O 2.94Å; F102-N106 WeakPolarHBondContact CD1-ND2 3.44Å; F102-N106 WeakPolarHBondContact CD2-ND2 3.36Å; F102-N106 WeakPolarHBondContact CE1-ND2 3.42Å; F102-N106 WeakPolarHBondContact CE2-ND2 3.36Å; F102-N106 WeakPolarHBondContact CZ-ND2 3.36Å; F102-N106 WeakPolarHBondContact O-CB 3.37Å; F102-N106 PolarHBondContact O-N 3.34Å; F102-N106 PolarHBondContact O-ND2 3.21Å; S103-N106 PolarHBondContact O-N 2.92Å; N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 2.87Å; N106-V109 PolarHBondContact O-N 3.27Å; N106-V109 VanDerWaalsContact O-N 3.15Å; N106-G110 PolarHBondContact O-N 2.84Å
107V93.4Very high92.3Very high61 Ų6133.5 Ų33.537%0.3718%0.183SC..Hα-helixtrans-59.5-42-179.7171.20000111.2L62 S103 G110 L111L62-V107 HydrophobicContact CB-CG2 4.42Å; S103-V107 WeakPolarHBondContact O-CB 3.37Å; S103-V107 VanDerWaalsContact O-CG2 3.24Å; S103-V107 WeakPolarHBondContact O-CG2 3.46Å; S103-V107 PolarHBondContact O-N 2.69Å; V107-G110 PolarHBondContact O-N 3.49Å; V107-L111 VanDerWaalsContact O-CB 3.28Å; V107-L111 WeakPolarHBondContact O-CB 3.43Å; V107-L111 PolarHBondContact O-N 3.49Å
108S92.3Very high92.3Very high22 Ų2233.4 Ų33.415%0.15418%0.184CC..Hα-helixtrans-66.6-40.617758.90000112.6V104 V105 N106 L111 L112 S200V104-S108 VanDerWaalsContact O-CB 3.22Å; V104-S108 WeakPolarHBondContact O-CB 3.17Å; V104-S108 PolarHBondContact O-N 2.85Å; V104-S108 PolarHBondContact O-OG 2.71Å; V105-S108 WeakPolarHBondContact CA-OG 3.4Å; V105-S108 PolarHBondContact O-N 3.15Å; V105-S108 PolarHBondContact O-OG 3.44Å; N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 2.87Å; S108-L111 PolarHBondContact O-N 3.44Å; S108-L112 VanDerWaalsContact O-CB 3.3Å; S108-L112 WeakPolarHBondContact O-CB 3.09Å; S108-L112 VanDerWaalsContact O-CD1 3.29Å; S108-L112 WeakPolarHBondContact O-CD1 3.41Å; S108-L112 PolarHBondContact O-N 2.94Å; S108-S200 WeakPolarHBondContact OG-CB 3.46Å; S108-S200 PolarHBondContact OG-OG 3.35Å
109V93.9Very high92.2Very high3 Ų337.7 Ų37.72%0.01821%0.206CC..Hα-helixtrans-61.9-46.7175.3169.30000111.1V105 N106 L111 G113 F196V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.22Å; V105-V109 WeakPolarHBondContact O-CG2 3.27Å; V105-V109 PolarHBondContact O-N 2.95Å; N106-V109 PolarHBondContact O-N 3.27Å; N106-V109 VanDerWaalsContact O-N 3.15Å; V109-L111 PolarHBondContact O-N 3.49Å; V109-G113 WeakPolarHBondContact O-CA 3.37Å; V109-G113 PolarHBondContact O-N 2.91Å; V109-F196 HydrophobicContact CG2-CB 4.37Å
110G91.8Very high92Very high0 Ų036.7 Ų36.70%020%0.203CC..Hα-helixtrans-61.2-44.1177.100000112.2N106 V107 A114N106-G110 PolarHBondContact O-N 2.84Å; V107-G110 PolarHBondContact O-N 3.49Å; G110-A114 VanDerWaalsContact O-CB 3.28Å; G110-A114 WeakPolarHBondContact O-CB 3.37Å; G110-A114 PolarHBondContact O-N 3.16Å
111L92.4Very high91.9Very high88 Ų8836.1 Ų36.146%0.46120%0.197SC..Hα-helixtrans-70.5-49.7-178.8-174.965.5000112.6V107 S108 V109 G113 A114 F115V107-L111 VanDerWaalsContact O-CB 3.28Å; V107-L111 WeakPolarHBondContact O-CB 3.43Å; V107-L111 PolarHBondContact O-N 3.49Å; S108-L111 PolarHBondContact O-N 3.44Å; V109-L111 PolarHBondContact O-N 3.49Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 2.95Å; L111-A114 PolarHBondContact O-N 3.26Å; L111-F115 WeakPolarHBondContact O-CB 3.33Å; L111-F115 PolarHBondContact O-N 2.83Å
112L91.9Very high91.7Very high69 Ų6941 Ų4136%0.36122%0.221SC..Hα-helixtrans-64.3-39.1177.3-90.268000110.8S108 F115 A116 F196S108-L112 VanDerWaalsContact O-CB 3.3Å; S108-L112 WeakPolarHBondContact O-CB 3.09Å; S108-L112 VanDerWaalsContact O-CD1 3.29Å; S108-L112 WeakPolarHBondContact O-CD1 3.41Å; S108-L112 PolarHBondContact O-N 2.94Å; L112-F115 PolarHBondContact O-N 3.38Å; L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.33Å; L112-A116 PolarHBondContact O-N 3.27Å; L112-F196 HydrophobicContact CB-CB 4.28Å; L112-F196 HydrophobicContact CB-CD1 3.96Å; L112-F196 HydrophobicContact CB-CD2 4.26Å; L112-F196 HydrophobicContact CB-CE1 4.39Å; L112-F196 HydrophobicContact CB-CG 3.91Å; L112-F196 HydrophobicContact CD2-CB 4.47Å; L112-F196 HydrophobicContact CD2-CD1 3.83Å; L112-F196 HydrophobicContact CD2-CE1 4.49Å; L112-F196 HydrophobicContact CD2-CG 4.36Å; L112-F196 HydrophobicContact CG-CD1 4.49Å
113G91.4Very high91.7Very high1 Ų144.4 Ų44.41%0.0125%0.252CS..Hα-helixtrans-60.7-52.517500000111.9V109 L111 F115 A116 Y117V109-G113 WeakPolarHBondContact O-CA 3.37Å; V109-G113 PolarHBondContact O-N 2.91Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 2.95Å; G113-F115 VanDerWaalsContact C-N 3.32Å; G113-F115 PolarHBondContact O-N 2.86Å; G113-A116 PolarHBondContact O-N 3.42Å; G113-Y117 WeakPolarHBondContact O-CD2 3.44Å; G113-Y117 PolarHBondContact O-N 2.99Å
114A90.9Very high91.5Very high0 Ų044.2 Ų44.20%025%0.25CS..Hα-helixtrans-59.8-41.9177.300000112.2V47 P49 L52 F53 G110 L111 L118V47-A114 HydrophobicContact CG1-CB 4.26Å; P49-A114 HydrophobicContact CB-CB 4.39Å; L52-A114 HydrophobicContact CD2-CB 3.35Å; F53-A114 HydrophobicContact CE2-CB 4.31Å; G110-A114 VanDerWaalsContact O-CB 3.28Å; G110-A114 WeakPolarHBondContact O-CB 3.37Å; G110-A114 PolarHBondContact O-N 3.16Å; L111-A114 PolarHBondContact O-N 3.26Å; A114-L118 WeakPolarHBondContact O-CB 3.34Å; A114-L118 PolarHBondContact O-N 3.41Å
115F90.9Very high91.3Very high115 Ų11548.9 Ų48.950%0.50427%0.266SS..Hα-helixtrans-64.6-42.4176-175.8-107000112.5L111 L112 G113 L118 L119L111-F115 WeakPolarHBondContact O-CB 3.33Å; L111-F115 PolarHBondContact O-N 2.83Å; L112-F115 PolarHBondContact O-N 3.38Å; G113-F115 VanDerWaalsContact C-N 3.32Å; G113-F115 PolarHBondContact O-N 2.86Å; F115-L118 WeakPolarHBondContact O-CB 3.23Å; F115-L118 PolarHBondContact O-N 2.84Å; F115-L119 HydrophobicContact CD1-CD1 3.98Å; F115-L119 HydrophobicContact CD1-CG 4.39Å; F115-L119 HydrophobicContact CE1-CD1 3.48Å; F115-L119 VanDerWaalsContact CE1-CD1 3.48Å; F115-L119 HydrophobicContact CE1-CG 4.03Å; F115-L119 HydrophobicContact CZ-CD1 3.94Å; F115-L119 HydrophobicContact CZ-CD2 4.14Å; F115-L119 HydrophobicContact CZ-CG 4.11Å; F115-L119 WeakPolarHBondContact O-CG 3.45Å; F115-L119 PolarHBondContact O-N 3.31Å
116A91.3Very high90.9Very high26 Ų2653 Ų5322%0.21529%0.288CS..Hα-helixtrans-64.7-40.817800000112.5L112 G113 L119 T120 F196L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.33Å; L112-A116 PolarHBondContact O-N 3.27Å; G113-A116 PolarHBondContact O-N 3.42Å; A116-L119 PolarHBondContact O-N 2.94Å; A116-T120 WeakPolarHBondContact O-CB 3.38Å; A116-T120 PolarHBondContact O-N 2.91Å; A116-T120 PolarHBondContact O-OG1 3.48Å; A116-F196 HydrophobicContact CB-CE2 3.79Å; A116-F196 HydrophobicContact CB-CZ 3.51Å
117Y90.4Very high90.6Very high11 Ų1157.5 Ų57.54%0.04331%0.312CS..Hα-helixtrans-70.1-32.7174.4-78.3-65.4000112.6P49 G113 T120 Y121 Y129 V133 I135 P189P49-Y117 HydrophobicContact CG-CD2 4.21Å; P49-Y117 HydrophobicContact CG-CG 4.17Å; G113-Y117 WeakPolarHBondContact O-CD2 3.44Å; G113-Y117 PolarHBondContact O-N 2.99Å; Y117-T120 PolarHBondContact O-N 3.36Å; Y117-Y121 WeakPolarHBondContact O-CB 3.32Å; Y117-Y121 PolarHBondContact O-N 3.08Å; Y117-Y129 HydrophobicContact CD1-CD1 4.21Å; Y117-Y129 HydrophobicContact CE1-CD1 4.36Å; Y117-V133 HydrophobicContact CD1-CG1 4.29Å; Y117-V133 HydrophobicContact CD2-CG1 4.28Å; Y117-V133 HydrophobicContact CE1-CG1 3.9Å; Y117-V133 HydrophobicContact CE1-CG2 4.39Å; Y117-V133 HydrophobicContact CE2-CG1 3.87Å; Y117-V133 HydrophobicContact CG-CG1 4.48Å; Y117-I135 HydrophobicContact CD2-CD1 3.86Å; Y117-I135 HydrophobicContact CD2-CG1 4.31Å; Y117-I135 HydrophobicContact CE2-CD1 3.94Å; Y117-I135 HydrophobicContact CE2-CG1 4.07Å; Y117-P189 WeakPolarHBondContact OH-CA 3.44Å; Y117-P189 VanDerWaalsContact OH-N 3.15Å
118L89.9Confident90.3Very high37 Ų3758.5 Ų58.519%0.19432%0.318CS..Hα-helixtrans-61.6-46.4169.8-178.470.9000111.2F53 A114 F115 T120 Y121 M122 L130F53-L118 HydrophobicContact CD2-CD1 4.42Å; F53-L118 HydrophobicContact CD2-CD2 4.36Å; F53-L118 HydrophobicContact CE1-CD2 4.31Å; F53-L118 HydrophobicContact CE2-CB 4Å; F53-L118 HydrophobicContact CE2-CD1 4.39Å; F53-L118 HydrophobicContact CE2-CD2 3.83Å; F53-L118 HydrophobicContact CE2-CG 4.3Å; F53-L118 HydrophobicContact CZ-CB 4.49Å; F53-L118 HydrophobicContact CZ-CD2 3.8Å; A114-L118 WeakPolarHBondContact O-CB 3.34Å; A114-L118 PolarHBondContact O-N 3.41Å; F115-L118 WeakPolarHBondContact O-CB 3.23Å; F115-L118 PolarHBondContact O-N 2.84Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 3.05Å; L118-Y121 HydrophobicContact CD1-CD1 4.44Å; L118-Y121 WeakPolarHBondContact O-CB 3.49Å; L118-Y121 PolarHBondContact O-N 2.83Å; L118-M122 HydrophobicContact CD1-CE 4.01Å; L118-M122 HydrophobicContact CG-CE 4.48Å; L118-M122 WeakPolarHBondContact O-CG 3.45Å; L118-M122 PolarHBondContact O-N 3.47Å; L118-L130 HydrophobicContact CD1-CD1 3.96Å
119L90.4Very high90Very high94 Ų9461.6 Ų61.649%0.49233%0.327SS..Hα-helixtrans-62.5-39.9175.8-70.4-179.8000112F115 A116 Y121 M122 A123F115-L119 HydrophobicContact CD1-CD1 3.98Å; F115-L119 HydrophobicContact CD1-CG 4.39Å; F115-L119 HydrophobicContact CE1-CD1 3.48Å; F115-L119 VanDerWaalsContact CE1-CD1 3.48Å; F115-L119 HydrophobicContact CE1-CG 4.03Å; F115-L119 HydrophobicContact CZ-CD1 3.94Å; F115-L119 HydrophobicContact CZ-CD2 4.14Å; F115-L119 HydrophobicContact CZ-CG 4.11Å; F115-L119 WeakPolarHBondContact O-CG 3.45Å; F115-L119 PolarHBondContact O-N 3.31Å; A116-L119 PolarHBondContact O-N 2.94Å; L119-Y121 VanDerWaalsContact C-N 3.31Å; L119-Y121 PolarHBondContact O-N 3.45Å; L119-M122 PolarHBondContact O-N 3.39Å; L119-A123 PolarHBondContact O-N 3.4Å
120T88.4Confident89.6Confident52 Ų5262.3 Ų62.332%0.31933%0.33SS..Hα-helixtrans-63.5-39.8176.3-54.70000111.1A116 Y117 L118 A123 S124 Y129A116-T120 WeakPolarHBondContact O-CB 3.38Å; A116-T120 PolarHBondContact O-N 2.91Å; A116-T120 PolarHBondContact O-OG1 3.48Å; Y117-T120 PolarHBondContact O-N 3.36Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 3.05Å; T120-A123 PolarHBondContact O-N 3.15Å; T120-S124 VanDerWaalsContact O-CB 3.27Å; T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 3.03Å; T120-S124 PolarHBondContact O-OG 2.96Å; T120-Y129 HydrophobicContact CG2-CD1 4.15Å; T120-Y129 HydrophobicContact CG2-CD2 4.15Å; T120-Y129 HydrophobicContact CG2-CE1 4.23Å; T120-Y129 HydrophobicContact CG2-CE2 4.23Å; T120-Y129 HydrophobicContact CG2-CG 4.11Å
121Y89.7Confident89.3Confident52 Ų5266.8 Ų66.820%0.20435%0.35CS..Hα-helixtrans-62.1-46.6171.4164.8-103.9000111.6Y117 L118 L119 A123 S124 F125 N126 L127 L130Y117-Y121 WeakPolarHBondContact O-CB 3.32Å; Y117-Y121 PolarHBondContact O-N 3.08Å; L118-Y121 HydrophobicContact CD1-CD1 4.44Å; L118-Y121 WeakPolarHBondContact O-CB 3.49Å; L118-Y121 PolarHBondContact O-N 2.83Å; L119-Y121 VanDerWaalsContact C-N 3.31Å; L119-Y121 PolarHBondContact O-N 3.45Å; Y121-A123 PolarHBondContact O-N 3.19Å; Y121-S124 PolarHBondContact O-N 3.18Å; Y121-F125 VanDerWaalsContact O-CA 3.23Å; Y121-F125 WeakPolarHBondContact O-CA 3.43Å; Y121-F125 PolarHBondContact O-N 3.18Å; Y121-N126 WeakPolarHBondContact CD2-O 3.17Å; Y121-L127 HydrophobicContact CD2-CD2 4.42Å; Y121-L127 HydrophobicContact CE2-CD2 3.53Å; Y121-L127 HydrophobicContact CE2-CG 4.19Å; Y121-L130 HydrophobicContact CG-CD1 4.47Å
122M89.8Confident88.9Confident103 Ų10367.1 Ų67.151%0.50736%0.356SS..Hα-helixtrans-61.9-32.8178.2-67.1-62.6172.800112.7L118 L119 F125L118-M122 HydrophobicContact CD1-CE 4.01Å; L118-M122 HydrophobicContact CG-CE 4.48Å; L118-M122 WeakPolarHBondContact O-CG 3.45Å; L118-M122 PolarHBondContact O-N 3.47Å; L119-M122 PolarHBondContact O-N 3.39Å; M122-F125 WeakPolarHBondContact O-CE2 3.44Å; M122-F125 WeakPolarHBondContact O-CZ 3.4Å
123A91.9Very high88.6Confident83 Ų8365 Ų6569%0.68635%0.345SS*.Hα-helixtrans-78.3-37.1176.600000113.1L119 T120 Y121L119-A123 PolarHBondContact O-N 3.4Å; T120-A123 PolarHBondContact O-N 3.15Å; Y121-A123 PolarHBondContact O-N 3.19Å
124S90.8Very high88.4Confident49 Ų4969.8 Ų69.834%0.34336%0.363SS..Hα-helixtrans-102-14.3-171.2-49.10000114.2T120 Y121 N126T120-S124 VanDerWaalsContact O-CB 3.27Å; T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 3.03Å; T120-S124 PolarHBondContact O-OG 2.96Å; Y121-S124 PolarHBondContact O-N 3.18Å; S124-N126 PolarHBondContact O-N 3.04Å; S124-N126 PolarHBondContact O-ND2 3.42Å
125F87.9Confident88.3Confident156 Ų15670 Ų7068%0.68436%0.364SS*.  trans50.524.7-171.1-64.3-79.7000115.4Y121 M122Y121-F125 VanDerWaalsContact O-CA 3.23Å; Y121-F125 WeakPolarHBondContact O-CA 3.43Å; Y121-F125 PolarHBondContact O-N 3.18Å; M122-F125 WeakPolarHBondContact O-CE2 3.44Å; M122-F125 WeakPolarHBondContact O-CZ 3.4Å
126N86.4Confident88.1Confident87 Ų8765.9 Ų65.947%0.46535%0.347SS..  trans-102.8111.9-176.9-85.7-75.3000111.5Y121 S124 V128 Y129Y121-N126 WeakPolarHBondContact CD2-O 3.17Å; S124-N126 PolarHBondContact O-N 3.04Å; S124-N126 PolarHBondContact O-ND2 3.42Å; N126-V128 PolarHBondContact O-N 3.42Å; N126-V128 VanDerWaalsContact O-N 3.11Å; N126-Y129 HydrophobicContact CB-CD2 3.84Å; N126-Y129 HydrophobicContact CB-CE2 3.98Å; N126-Y129 PolarHBondContact O-N 3.49Å
127L87.2Confident87.8Confident99 Ų9964.9 Ų64.952%0.51834%0.339SS..THydrogen-bonded Turntrans-63-18.8-177-66.6170.6000114.1Y121 Y129 L130 F131Y121-L127 HydrophobicContact CD2-CD2 4.42Å; Y121-L127 HydrophobicContact CE2-CD2 3.53Å; Y121-L127 HydrophobicContact CE2-CG 4.19Å; L127-Y129 PolarHBondContact O-N 2.88Å; L127-L130 PolarHBondContact O-N 3.25Å; L127-F131 HydrophobicContact CB-CD2 4.3Å; L127-F131 HydrophobicContact CD2-CD2 4.45Å; L127-F131 HydrophobicContact CD2-CE2 4.08Å; L127-F131 PolarHBondContact O-N 2.95Å
128V87.4Confident87.7Confident82 Ų8264.6 Ų64.650%0.49734%0.338SS..Hα-helixtrans-55.6-39.4176.5179.80000111.4N126 L130 T132 V133N126-V128 PolarHBondContact O-N 3.42Å; N126-V128 VanDerWaalsContact O-N 3.11Å; V128-L130 PolarHBondContact O-N 2.84Å; V128-T132 HydrophobicContact CG1-CG2 4.31Å; V128-T132 WeakPolarHBondContact O-CA 3.32Å; V128-T132 WeakPolarHBondContact O-CB 3.37Å; V128-T132 PolarHBondContact O-N 2.83Å; V128-V133 PolarHBondContact O-N 3.04Å
129Y85.6Confident87.7Confident87 Ų8764.6 Ų64.634%0.34134%0.338SS..Hα-helixtrans-66.2-22.9178.9-68.1-66.8000113.5Y117 T120 N126 L127 V133Y117-Y129 HydrophobicContact CD1-CD1 4.21Å; Y117-Y129 HydrophobicContact CE1-CD1 4.36Å; T120-Y129 HydrophobicContact CG2-CD1 4.15Å; T120-Y129 HydrophobicContact CG2-CD2 4.15Å; T120-Y129 HydrophobicContact CG2-CE1 4.23Å; T120-Y129 HydrophobicContact CG2-CE2 4.23Å; T120-Y129 HydrophobicContact CG2-CG 4.11Å; N126-Y129 HydrophobicContact CB-CD2 3.84Å; N126-Y129 HydrophobicContact CB-CE2 3.98Å; N126-Y129 PolarHBondContact O-N 3.49Å; L127-Y129 PolarHBondContact O-N 2.88Å; Y129-V133 HydrophobicContact CD1-CG2 4.32Å
130L84.8Confident87.7Confident18 Ų1860.1 Ų60.19%0.09432%0.316CS..Hα-helixtrans-96-39.6-174.5-149.675.6000112.3T48 P49 G50 L118 Y121 L127 V128T48-L130 WeakPolarHBondContact CG2-O 3.36Å; P49-L130 HydrophobicContact CB-CD1 3.97Å; P49-L130 HydrophobicContact CB-CG 4.49Å; G50-L130 PolarHBondContact N-O 3.37Å; L118-L130 HydrophobicContact CD1-CD1 3.96Å; Y121-L130 HydrophobicContact CG-CD1 4.47Å; L127-L130 PolarHBondContact O-N 3.25Å; V128-L130 PolarHBondContact O-N 2.84Å
131F86.2Confident88Confident94 Ų9457.8 Ų57.841%0.41230%0.301SS..Hα-helixtrans-110.8-20.3-172.3-64.8-72000114.7Y51 L127Y51-F131 HydrophobicContact CE1-CE1 4.42Å; Y51-F131 HydrophobicContact CE2-CD1 4.29Å; L127-F131 HydrophobicContact CB-CD2 4.3Å; L127-F131 HydrophobicContact CD2-CD2 4.45Å; L127-F131 HydrophobicContact CD2-CE2 4.08Å; L127-F131 PolarHBondContact O-N 2.95Å
132T84.7Confident88.1Confident95 Ų9556.6 Ų56.658%0.58330%0.298SS*.THydrogen-bonded Turntrans-101.1-31.3-177.9-46.40000112.2V128 R134V128-T132 HydrophobicContact CG1-CG2 4.31Å; V128-T132 WeakPolarHBondContact O-CA 3.32Å; V128-T132 WeakPolarHBondContact O-CB 3.37Å; V128-T132 PolarHBondContact O-N 2.83Å; T132-R134 PolarHBondContact O-N 3.44Å
133V85.6Confident88.2Confident23 Ų2351.7 Ų51.714%0.13927%0.274CS..  trans-75.2120.5177.9179.70000109.7P49 Y117 V128 Y129 P189P49-V133 VanDerWaalsContact CD-O 3.25Å; P49-V133 WeakPolarHBondContact CD-O 3.31Å; Y117-V133 HydrophobicContact CD1-CG1 4.29Å; Y117-V133 HydrophobicContact CD2-CG1 4.28Å; Y117-V133 HydrophobicContact CE1-CG1 3.9Å; Y117-V133 HydrophobicContact CE1-CG2 4.39Å; Y117-V133 HydrophobicContact CE2-CG1 3.87Å; Y117-V133 HydrophobicContact CG-CG1 4.48Å; V128-V133 PolarHBondContact O-N 3.04Å; Y129-V133 HydrophobicContact CD1-CG2 4.32Å; V133-P189 HydrophobicContact CG1-CB 4.15Å; V133-P189 HydrophobicContact CG1-CG 4.22Å
134R87.3Confident88.2Confident103 Ų10347.8 Ų47.839%0.38924%0.241SC..  trans-111.8122.9175.2-64.8179.6-66.8-1781.9108.5A46 T132A46-R134 HydrophobicContact CB-CB 4.18Å; T132-R134 PolarHBondContact O-N 3.44Å
135I86.8Confident88.2Confident4 Ų445.7 Ų45.72%0.02123%0.226CC..BIsolated β-bridgetrans-91.5119.1172.9-49.8174.6000106.8V47 H65 Y117 P189V47-I135 HydrophobicContact CB-CB 4.2Å; V47-I135 HydrophobicContact CG1-CD1 4.33Å; V47-I135 PolarHBondContact N-O 3.43Å; V47-I135 PolarHBondContact O-N 3.09Å; H65-I135 WeakPolarHBondContact CB-O 3.31Å; Y117-I135 HydrophobicContact CD2-CD1 3.86Å; Y117-I135 HydrophobicContact CD2-CG1 4.31Å; Y117-I135 HydrophobicContact CE2-CD1 3.94Å; Y117-I135 HydrophobicContact CE2-CG1 4.07Å; I135-P189 HydrophobicContact CG1-CB 4.38Å
136H88.1Confident88.3Confident29 Ų2939.8 Ų39.813%0.13420%0.202CC..  trans-146.4164.817659.880.5000109.6A46 Q70A46-H136 HydrophobicContact CB-CB 4.25Å; Q70-H136 PolarHBondContact NE2-NE2 2.84Å
137G84.6Confident88.5Confident5 Ų535.6 Ų35.65%0.05218%0.18CC..SBendtrans100.5149.9173.400000114.1H65 M68 E69 L139H65-G137 PolarHBondContact O-N 2.78Å; M68-G137 WeakPolarHBondContact O-CA 3.34Å; M68-G137 PolarHBondContact O-N 2.72Å; E69-G137 WeakPolarHBondContact OE1-CA 3.32Å; E69-G137 WeakPolarHBondContact OE2-CA 3.42Å; G137-L139 PolarHBondContact O-N 3.46Å; G137-L139 VanDerWaalsContact O-N 3.15Å
138A87.5Confident88.6Confident4 Ų430.9 Ų30.93%0.03316%0.155CC..THydrogen-bonded Turntrans-76.48.2178.400000112.6G66 E69 G140 F141 L142G66-A138 WeakPolarHBondContact O-CA 3.38Å; G66-A138 WeakPolarHBondContact O-CB 3.32Å; G66-A138 PolarHBondContact O-N 3.31Å; E69-A138 WeakPolarHBondContact OE1-CB 3.36Å; E69-A138 PolarHBondContact OE1-N 3.38Å; A138-G140 PolarHBondContact O-N 2.69Å; A138-F141 CarbonylContact O-C 3.45Å; A138-F141 WeakPolarHBondContact O-CA 3.4Å; A138-F141 WeakPolarHBondContact O-CB 2.97Å; A138-F141 PolarHBondContact O-N 2.85Å; A138-L142 PolarHBondContact O-N 3.33Å
139L90.6Very high88.6Confident37 Ų3728.4 Ų28.419%0.19414%0.139CC..Hα-helixtrans-62.1-32.9-176.8-163.870.3000112.1G137 L142 G143 L177 A190 Y194G137-L139 PolarHBondContact O-N 3.46Å; G137-L139 VanDerWaalsContact O-N 3.15Å; L139-L142 HydrophobicContact CD1-CD2 3.93Å; L139-L142 PolarHBondContact O-N 2.98Å; L139-G143 PolarHBondContact O-N 3.46Å; L139-G143 VanDerWaalsContact O-N 3.16Å; L139-L177 HydrophobicContact CD2-CD1 4.27Å; L139-A190 HydrophobicContact CD2-CB 3.79Å; L139-A190 WeakPolarHBondContact CD2-O 3.19Å; L139-Y194 HydrophobicContact CG-CD2 4.24Å; L139-Y194 WeakPolarHBondContact O-CD2 3.41Å
140G91Very high88.6Confident1 Ų124.7 Ų24.71%0.0112%0.124CC..Hα-helixtrans-63.8-41.9170.200000112.5A138 G143 G144 S193 G197A138-G140 PolarHBondContact O-N 2.69Å; G140-G143 PolarHBondContact O-N 3.49Å; G140-G144 PolarHBondContact O-N 3.46Å; G140-G144 VanDerWaalsContact O-N 3.15Å; G140-S193 WeakPolarHBondContact CA-O 3.25Å; G140-G197 WeakPolarHBondContact O-CA 3.43Å
141F93.6Very high88.6Confident3 Ų325.2 Ų25.21%0.01313%0.126CC..Hα-helixtrans-65.8-37.6175.2-178.2-113.6000112.3T81 V82 A85 F101 F102 A138 G143 G144 V145T81-F141 HydrophobicContact CG2-CD1 3.87Å; T81-F141 HydrophobicContact CG2-CE1 4.08Å; V82-F141 HydrophobicContact CG2-CD1 4.43Å; V82-F141 HydrophobicContact CG2-CE1 4.09Å; A85-F141 HydrophobicContact CB-CE1 4.35Å; A85-F141 HydrophobicContact CB-CZ 4.16Å; F101-F141 AromaticContact CD1-CE2 3.84Å; F101-F141 HydrophobicContact CD1-CE2 3.84Å; F101-F141 HydrophobicContact CE1-CD2 4.45Å; F101-F141 AromaticContact CE1-CE2 3.8Å; F101-F141 HydrophobicContact CE1-CE2 3.8Å; F102-F141 HydrophobicContact CB-CD2 4.46Å; F102-F141 HydrophobicContact CB-CE2 3.94Å; F102-F141 HydrophobicContact CB-CZ 4.41Å; F102-F141 HydrophobicContact CD2-CD1 4.02Å; F102-F141 AromaticContact CD2-CD2 3.67Å; F102-F141 HydrophobicContact CD2-CD2 3.67Å; F102-F141 AromaticContact CD2-CE1 4Å; F102-F141 HydrophobicContact CD2-CE1 4Å; F102-F141 AromaticContact CD2-CE2 3.66Å; F102-F141 HydrophobicContact CD2-CE2 3.66Å; F102-F141 AromaticContact CD2-CG 3.86Å; F102-F141 HydrophobicContact CD2-CG 3.86Å; F102-F141 AromaticContact CD2-CZ 3.82Å; F102-F141 HydrophobicContact CD2-CZ 3.82Å; F102-F141 HydrophobicContact CE2-CD1 4.24Å; F102-F141 HydrophobicContact CE2-CD2 4.41Å; F102-F141 HydrophobicContact CE2-CG 4.17Å; F102-F141 HydrophobicContact CG-CD2 4.48Å; F102-F141 HydrophobicContact CG-CE2 4.29Å; A138-F141 CarbonylContact O-C 3.45Å; A138-F141 WeakPolarHBondContact O-CA 3.4Å; A138-F141 WeakPolarHBondContact O-CB 2.97Å; A138-F141 PolarHBondContact O-N 2.85Å; F141-G143 VanDerWaalsContact C-N 3.32Å; F141-G143 PolarHBondContact O-N 3.18Å; F141-G144 CarbonylContact O-C 3.55Å; F141-G144 WeakPolarHBondContact O-CA 3.32Å; F141-G144 PolarHBondContact O-N 3.04Å; F141-V145 HydrophobicContact CD1-CG2 4Å; F141-V145 HydrophobicContact CD2-CG2 4.33Å; F141-V145 HydrophobicContact CE1-CG2 3.52Å; F141-V145 HydrophobicContact CE2-CG2 3.89Å; F141-V145 HydrophobicContact CG-CG2 4.38Å; F141-V145 HydrophobicContact CZ-CG2 3.46Å; F141-V145 VanDerWaalsContact CZ-CG2 3.46Å; F141-V145 WeakPolarHBondContact O-CG2 3.41Å; F141-V145 PolarHBondContact O-N 3.13Å
142L93.3Very high88.4Confident27 Ų2723 Ų2314%0.14112%0.121CC..Hα-helixtrans-56.7-45.6171.8173.163.8000111.7I77 T81 A138 L139 G144 V145 L146 L173 Y194I77-L142 HydrophobicContact CG2-CD2 4.01Å; T81-L142 HydrophobicContact CG2-CB 4.04Å; T81-L142 HydrophobicContact CG2-CD1 3.94Å; T81-L142 WeakPolarHBondContact OG1-CD1 3.27Å; A138-L142 PolarHBondContact O-N 3.33Å; L139-L142 HydrophobicContact CD1-CD2 3.93Å; L139-L142 PolarHBondContact O-N 2.98Å; L142-G144 VanDerWaalsContact C-N 3.26Å; L142-G144 PolarHBondContact O-N 3.49Å; L142-V145 PolarHBondContact O-N 3.29Å; L142-L146 HydrophobicContact CD1-CD1 4.25Å; L142-L146 HydrophobicContact CD1-CG 4.22Å; L142-L146 HydrophobicContact CG-CD1 4.27Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 2.77Å; L142-L173 HydrophobicContact CD2-CD2 3.9Å; L142-L173 HydrophobicContact CG-CD2 4.37Å; L142-Y194 HydrophobicContact CG-CE2 4.49Å
143G90.7Very high87.8Confident0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-55.9-43.1173.600000112L139 G140 F141 L146 V147L139-G143 PolarHBondContact O-N 3.46Å; L139-G143 VanDerWaalsContact O-N 3.16Å; G140-G143 PolarHBondContact O-N 3.49Å; F141-G143 VanDerWaalsContact C-N 3.32Å; F141-G143 PolarHBondContact O-N 3.18Å; G143-L146 PolarHBondContact O-N 3.3Å; G143-V147 WeakPolarHBondContact O-CG2 3.01Å; G143-V147 PolarHBondContact O-N 3.39Å
144G91.4Very high87Confident0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-66.7-42.8176.500000114.3G140 F141 L142 L146 V147 A148 S201G140-G144 PolarHBondContact O-N 3.46Å; G140-G144 VanDerWaalsContact O-N 3.15Å; F141-G144 CarbonylContact O-C 3.55Å; F141-G144 WeakPolarHBondContact O-CA 3.32Å; F141-G144 PolarHBondContact O-N 3.04Å; L142-G144 VanDerWaalsContact C-N 3.26Å; L142-G144 PolarHBondContact O-N 3.49Å; G144-L146 VanDerWaalsContact C-N 3.3Å; G144-L146 PolarHBondContact O-N 3.17Å; G144-V147 WeakPolarHBondContact O-CB 3.3Å; G144-V147 PolarHBondContact O-N 2.82Å; G144-A148 WeakPolarHBondContact O-CB 3.44Å; G144-A148 PolarHBondContact O-N 2.99Å; G144-S201 VanDerWaalsContact CA-OG 3.29Å; G144-S201 WeakPolarHBondContact CA-OG 3.44Å; G144-S201 PolarHBondContact O-OG 3.23Å
145V91.9Very high85.8Confident5 Ų522.5 Ų22.53%0.0313%0.126CC..Hα-helixtrans-62.8-37.6177.1172.80000111.3T81 A85 F141 L142 A148 L149T81-V145 HydrophobicContact CG2-CB 4.08Å; T81-V145 HydrophobicContact CG2-CG1 4.41Å; T81-V145 HydrophobicContact CG2-CG2 3.86Å; A85-V145 HydrophobicContact CB-CG1 4.2Å; A85-V145 HydrophobicContact CB-CG2 3.83Å; F141-V145 HydrophobicContact CD1-CG2 4Å; F141-V145 HydrophobicContact CD2-CG2 4.33Å; F141-V145 HydrophobicContact CE1-CG2 3.52Å; F141-V145 HydrophobicContact CE2-CG2 3.89Å; F141-V145 HydrophobicContact CG-CG2 4.38Å; F141-V145 HydrophobicContact CZ-CG2 3.46Å; F141-V145 VanDerWaalsContact CZ-CG2 3.46Å; F141-V145 WeakPolarHBondContact O-CG2 3.41Å; F141-V145 PolarHBondContact O-N 3.13Å; L142-V145 PolarHBondContact O-N 3.29Å; V145-A148 PolarHBondContact O-N 3.42Å; V145-L149 VanDerWaalsContact O-CB 3.3Å; V145-L149 WeakPolarHBondContact O-CB 3.25Å; V145-L149 PolarHBondContact O-N 2.97Å
146L90.6Very high84.6Confident32 Ų3225.7 Ų25.717%0.16815%0.147CC..Hα-helixtrans-65.9-38.4175.5-71.2172.3000112.3L142 G143 G144 L149 K150 P170 L173 Y194L142-L146 HydrophobicContact CD1-CD1 4.25Å; L142-L146 HydrophobicContact CD1-CG 4.22Å; L142-L146 HydrophobicContact CG-CD1 4.27Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 2.77Å; G143-L146 PolarHBondContact O-N 3.3Å; G144-L146 VanDerWaalsContact C-N 3.3Å; G144-L146 PolarHBondContact O-N 3.17Å; L146-L149 PolarHBondContact O-N 3.35Å; L146-K150 PolarHBondContact O-N 2.79Å; L146-P170 HydrophobicContact CB-CB 4.23Å; L146-P170 HydrophobicContact CB-CG 3.97Å; L146-L173 HydrophobicContact CD1-CD2 3.56Å; L146-Y194 HydrophobicContact CD1-CE2 4.2Å; L146-Y194 WeakPolarHBondContact CD1-OH 3.29Å
147V89.6Confident83.2Confident0 Ų027.9 Ų27.90%016%0.163CC..Hα-helixtrans-65-44.8174174.10000110.9G143 G144 L149 K150 Q151 P170 L198 W202 L205 F222 F227G143-V147 WeakPolarHBondContact O-CG2 3.01Å; G143-V147 PolarHBondContact O-N 3.39Å; G144-V147 WeakPolarHBondContact O-CB 3.3Å; G144-V147 PolarHBondContact O-N 2.82Å; V147-L149 VanDerWaalsContact C-N 3.32Å; V147-L149 PolarHBondContact O-N 3.49Å; V147-K150 WeakPolarHBondContact O-CB 3.28Å; V147-K150 PolarHBondContact O-N 3.12Å; V147-Q151 PolarHBondContact O-N 3.27Å; V147-Q151 VanDerWaalsContact O-N 3.12Å; V147-P170 HydrophobicContact CG2-CB 4.47Å; V147-L198 HydrophobicContact CG2-CB 4.4Å; V147-L198 HydrophobicContact CG2-CD2 4.26Å; V147-L198 HydrophobicContact CG2-CG 3.69Å; V147-W202 HydrophobicContact CG1-CB 4.24Å; V147-L205 HydrophobicContact CG1-CD1 3.85Å; V147-F222 HydrophobicContact CG1-CE2 4.01Å; V147-F222 HydrophobicContact CG1-CZ 3.75Å; V147-F227 HydrophobicContact CB-CE1 4.35Å; V147-F227 HydrophobicContact CG1-CE1 4.08Å; V147-F227 HydrophobicContact CG1-CZ 3.86Å; V147-F227 HydrophobicContact CG2-CE1 3.99Å; V147-F227 HydrophobicContact CG2-CZ 4.44Å
148A89.5Confident82Confident0 Ų031.6 Ų31.60%018%0.184CC..Hα-helixtrans-63.3-37.8175.500000112.6L89 W93 F101 G144 V145 K150 Q151 T152 L205L89-A148 HydrophobicContact CD1-CB 4.49Å; L89-A148 HydrophobicContact CD2-CB 3.61Å; L89-A148 HydrophobicContact CG-CB 4.13Å; W93-A148 HydrophobicContact CH2-CB 3.53Å; W93-A148 HydrophobicContact CZ2-CB 3.97Å; F101-A148 HydrophobicContact CZ-CB 4.37Å; G144-A148 WeakPolarHBondContact O-CB 3.44Å; G144-A148 PolarHBondContact O-N 2.99Å; V145-A148 PolarHBondContact O-N 3.42Å; A148-K150 VanDerWaalsContact C-N 3.33Å; A148-Q151 WeakPolarHBondContact O-CB 3.1Å; A148-Q151 PolarHBondContact O-N 2.87Å; A148-T152 WeakPolarHBondContact O-CG2 3.39Å; A148-T152 PolarHBondContact O-N 2.85Å; A148-T152 PolarHBondContact O-OG1 3.27Å; A148-L205 HydrophobicContact CB-CD1 3.93Å
149L87.9Confident80.4Confident30 Ų3035.5 Ų35.516%0.15720%0.204CC..Hα-helixtrans-65.2-40.1176.6-171.164.8000111.1L88 V145 L146 V147 Q151 T152 M153 V166L88-L149 HydrophobicContact CD1-CD1 3.54Å; V145-L149 VanDerWaalsContact O-CB 3.3Å; V145-L149 WeakPolarHBondContact O-CB 3.25Å; V145-L149 PolarHBondContact O-N 2.97Å; L146-L149 PolarHBondContact O-N 3.35Å; V147-L149 VanDerWaalsContact C-N 3.32Å; V147-L149 PolarHBondContact O-N 3.49Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 3.27Å; L149-T152 WeakPolarHBondContact CA-OG1 3.49Å; L149-T152 PolarHBondContact O-N 3.29Å; L149-T152 PolarHBondContact O-OG1 3.07Å; L149-T152 VanDerWaalsContact O-OG1 3.12Å; L149-M153 HydrophobicContact CD1-CE 3.9Å; L149-M153 HydrophobicContact CD1-CG 3.48Å; L149-M153 VanDerWaalsContact CD1-CG 3.48Å; L149-M153 HydrophobicContact CG-CG 4Å; L149-M153 VanDerWaalsContact O-CB 3.29Å; L149-M153 WeakPolarHBondContact O-CB 3.46Å; L149-M153 PolarHBondContact O-N 3.18Å; L149-V166 HydrophobicContact CD2-CG1 4.38Å; L149-V166 HydrophobicContact CG-CG1 4.15Å
150K85.8Confident78.6Confident9 Ų944 Ų444%0.03923%0.234CC..Hα-helixtrans-59.5-42.5172179.6-171.9177.4-156.80111.9L146 V147 A148 T152 G154 V166 T226 F227L146-K150 PolarHBondContact O-N 2.79Å; V147-K150 WeakPolarHBondContact O-CB 3.28Å; V147-K150 PolarHBondContact O-N 3.12Å; A148-K150 VanDerWaalsContact C-N 3.33Å; K150-T152 VanDerWaalsContact C-N 3.32Å; K150-T152 PolarHBondContact O-N 3.13Å; K150-G154 WeakPolarHBondContact O-CA 3.37Å; K150-G154 PolarHBondContact O-N 3.27Å; K150-V166 HydrophobicContact CB-CG1 4.35Å; K150-T226 PolarHBondContact NZ-O 3.39Å; K150-T226 PolarHBondContact NZ-OG1 3.44Å; K150-F227 HydrophobicContact CB-CE1 4.43Å; K150-F227 HydrophobicContact CD-CD1 3.46Å; K150-F227 VanDerWaalsContact CD-CD1 3.46Å; K150-F227 HydrophobicContact CD-CE1 3.17Å; K150-F227 HydrophobicContact CD-CE2 4.36Å; K150-F227 HydrophobicContact CD-CG 4.18Å; K150-F227 HydrophobicContact CD-CZ 3.67Å; K150-F227 HydrophobicContact CG-CE1 4.39Å; K150-F227 VanDerWaalsContact NZ-CD1 3.34Å; K150-F227 VanDerWaalsContact NZ-N 3.15Å
151Q84.8Confident76.5Confident29 Ų2950 Ų5014%0.13627%0.27CS..Hα-helixtrans-63.4-39.4178.7-167.2-172-2.800112.2V147 A148 L149 D217 F222V147-Q151 PolarHBondContact O-N 3.27Å; V147-Q151 VanDerWaalsContact O-N 3.12Å; A148-Q151 WeakPolarHBondContact O-CB 3.1Å; A148-Q151 PolarHBondContact O-N 2.87Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 3.27Å; Q151-D217 VanDerWaalsContact NE2-CB 3.3Å; Q151-D217 PolarHBondContact NE2-OD2 3.18Å; Q151-F222 HydrophobicContact CB-CD2 3.89Å; Q151-F222 HydrophobicContact CB-CE2 3.65Å; Q151-F222 HydrophobicContact CB-CZ 4.36Å; Q151-F222 HydrophobicContact CG-CD2 3.98Å; Q151-F222 HydrophobicContact CG-CE2 4.04Å; Q151-F222 HydrophobicContact CG-CG 4.41Å
152T80.6Confident74.7Confident48 Ų4854.2 Ų54.229%0.29430%0.297SS..Hα-helixtrans-84.7-37.1-174.251.30000113.5L92 A148 L149 K150L92-T152 HydrophobicContact CD1-CG2 3.45Å; L92-T152 VanDerWaalsContact CD1-CG2 3.45Å; A148-T152 WeakPolarHBondContact O-CG2 3.39Å; A148-T152 PolarHBondContact O-N 2.85Å; A148-T152 PolarHBondContact O-OG1 3.27Å; L149-T152 WeakPolarHBondContact CA-OG1 3.49Å; L149-T152 PolarHBondContact O-N 3.29Å; L149-T152 PolarHBondContact O-OG1 3.07Å; L149-T152 VanDerWaalsContact O-OG1 3.12Å; K150-T152 VanDerWaalsContact C-N 3.32Å; K150-T152 PolarHBondContact O-N 3.13Å
153M72.9Confident73Confident76 Ų7661 Ų6137%0.37433%0.328SS..Hα-helixtrans-95.6-9.7-177.4-62.7-79.8-178.600113.4L88 L149 D155 C156 V166L88-M153 HydrophobicContact CD1-CE 3.93Å; L88-M153 HydrophobicContact CD2-CE 3.84Å; L88-M153 HydrophobicContact CG-CE 4.36Å; L149-M153 HydrophobicContact CD1-CE 3.9Å; L149-M153 HydrophobicContact CD1-CG 3.48Å; L149-M153 VanDerWaalsContact CD1-CG 3.48Å; L149-M153 HydrophobicContact CG-CG 4Å; L149-M153 VanDerWaalsContact O-CB 3.29Å; L149-M153 WeakPolarHBondContact O-CB 3.46Å; L149-M153 PolarHBondContact O-N 3.18Å; M153-D155 PolarHBondContact O-N 2.96Å; M153-C156 HydrophobicContact CB-CB 4.47Å; M153-C156 PolarHBondContact O-N 2.87Å; M153-C156 PolarHBondContact O-SG 3.49Å; M153-V166 HydrophobicContact CB-CG2 4.34Å
154G69.4Low71.6Confident26 Ų2662.2 Ų62.227%0.26834%0.336SS..THydrogen-bonded Turntrans56.8-136.3-177.200000113.1K150 C156K150-G154 WeakPolarHBondContact O-CA 3.37Å; K150-G154 PolarHBondContact O-N 3.27Å; G154-C156 VanDerWaalsContact C-N 3.3Å; G154-C156 PolarHBondContact O-N 3.39Å
155D62.4Low70.6Confident108 Ų10866.4 Ų66.458%0.57835%0.351SS*.THydrogen-bonded Turntrans-90.732.8-179.3-77-44.5000113.9M153 V157 S167M153-D155 PolarHBondContact O-N 2.96Å; D155-V157 PolarHBondContact O-N 3.02Å; D155-S167 WeakPolarHBondContact OD1-CB 3.47Å; D155-S167 PolarHBondContact OD1-OG 3.34Å
156C59.8Low69.6Low70 Ų7066.4 Ų66.447%0.47335%0.352SS..  trans-56.9137.2169.3-74.30000110.7M153 G154 V166M153-C156 HydrophobicContact CB-CB 4.47Å; M153-C156 PolarHBondContact O-N 2.87Å; M153-C156 PolarHBondContact O-SG 3.49Å; G154-C156 VanDerWaalsContact C-N 3.3Å; G154-C156 PolarHBondContact O-N 3.39Å; C156-V166 HydrophobicContact CB-CG2 4.13Å; C156-V166 WeakPolarHBondContact O-CG2 3.43Å; C156-V166 PolarHBondContact O-N 2.88Å
157V60.5Low68.7Low75 Ų7565.1 Ų65.146%0.45535%0.345SS..EExtended strand (participates in β ladder)trans-89.4111.9176.7-178.40000107.6D155 L159D155-V157 PolarHBondContact O-N 3.02Å; V157-L159 WeakPolarHBondContact CG1-O 3.22Å
158V57.8Low68.1Low83 Ų8366.5 Ų66.550%0.50335%0.354SS..EExtended strand (participates in β ladder)trans-79.6-44.6-176.7-1770000111V164 V166V158-V164 PolarHBondContact N-O 2.89Å; V158-V166 HydrophobicContact CG2-CB 4.19Å; V158-V166 HydrophobicContact CG2-CG2 3.16Å
159L55.3Low67.7Low87 Ų8768.9 Ų68.946%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-110.6124171.9-102.276.9000108.8V157 V161 P162 Q163 V164V157-L159 WeakPolarHBondContact CG1-O 3.22Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-P162 CarbonylContact C-O 3.58Å; L159-P162 VanDerWaalsContact CB-O 3.29Å; L159-P162 WeakPolarHBondContact CB-O 3.3Å; L159-Q163 WeakPolarHBondContact O-CA 3.29Å; L159-V164 HydrophobicContact CB-CB 4.42Å; L159-V164 PolarHBondContact O-N 3.42Å; L159-V164 VanDerWaalsContact O-N 3.13Å
160R51.1Low67.6Low215 Ų21567.5 Ų67.581%0.81136%0.358SS*.EExtended strand (participates in β ladder)trans-76.6-22.3176.1-172.9156.6-90.4168-7112
161V47.8Very low67.6Low127 Ų12768.2 Ų68.277%0.7736%0.362SS*.THydrogen-bonded Turntrans-148.9113.2175.5-168.40000109.5L159L159-V161 VanDerWaalsContact C-N 3.32Å
162P55.3Low67.6Low91 Ų9171 Ų7159%0.59138%0.377SS*.THydrogen-bonded Turncis-63.3150.2-12.327-33.7000111.9L159 V164L159-P162 CarbonylContact C-O 3.58Å; L159-P162 VanDerWaalsContact CB-O 3.29Å; L159-P162 WeakPolarHBondContact CB-O 3.3Å; P162-V164 VanDerWaalsContact C-N 3.31Å; P162-V164 HydrophobicContact CB-CG2 4.45Å; P162-V164 HydrophobicContact CG-CG2 4.12Å; P162-V164 PolarHBondContact O-N 2.91Å
163Q58.3Low68Low169 Ų16970.6 Ų70.679%0.7937%0.373SS*.EExtended strand (participates in β ladder)trans-66.482.2-178.3-71.4-179.2-1600112L159L159-Q163 WeakPolarHBondContact O-CA 3.29Å
164V61Low68.8Low26 Ų2669 Ų6916%0.15837%0.366CS..EExtended strand (participates in β ladder)trans-99.5110.5178.7-170.30000109.5V158 L159 P162 M169V158-V164 PolarHBondContact N-O 2.89Å; L159-V164 HydrophobicContact CB-CB 4.42Å; L159-V164 PolarHBondContact O-N 3.42Å; L159-V164 VanDerWaalsContact O-N 3.13Å; P162-V164 VanDerWaalsContact C-N 3.31Å; P162-V164 HydrophobicContact CB-CG2 4.45Å; P162-V164 HydrophobicContact CG-CG2 4.12Å; P162-V164 PolarHBondContact O-N 2.91Å; V164-M169 HydrophobicContact CB-CE 4.39Å; V164-M169 HydrophobicContact CG1-CE 3.25Å; V164-M169 HydrophobicContact CG1-CG 4.47Å; V164-M169 HydrophobicContact CG1-SD 4.08Å
165R69.9Low69.6Low88 Ų8870 Ų7033%0.33237%0.372SS..EExtended strand (participates in β ladder)trans-71.6142.9173.1-60.9-175.2-79-155.7-3109.8S167 V168 E230R165-S167 VanDerWaalsContact CB-OG 3.23Å; R165-S167 WeakPolarHBondContact CB-OG 3.33Å; R165-S167 PolarHBondContact O-N 3.46Å; R165-S167 VanDerWaalsContact O-N 3.1Å; R165-V168 HydrophobicContact CB-CG2 4.47Å; R165-V168 PolarHBondContact O-N 3.48Å; R165-V168 VanDerWaalsContact O-N 3.07Å; R165-E230 IonicContact CZ-OE1 3.27Å; R165-E230 IonicContact NH1-OE1 3.08Å; R165-E230 PolarHBondContact NH1-OE1 2.84Å; R165-E230 IonicContact NH2-OE1 3.71Å; R165-E230 PolarHBondContact NH2-OE1 3.27Å; R165-E230 VanDerWaalsContact NH2-OE1 3.08Å
166V70.4Confident70.9Confident6 Ų668.8 Ų68.84%0.03637%0.365CS..G310 helixtrans-50.9-35.6171.51790000110.3L149 K150 M153 C156 V158 V168 M169 P170L149-V166 HydrophobicContact CD2-CG1 4.38Å; L149-V166 HydrophobicContact CG-CG1 4.15Å; K150-V166 HydrophobicContact CB-CG1 4.35Å; M153-V166 HydrophobicContact CB-CG2 4.34Å; C156-V166 HydrophobicContact CB-CG2 4.13Å; C156-V166 WeakPolarHBondContact O-CG2 3.43Å; C156-V166 PolarHBondContact O-N 2.88Å; V158-V166 HydrophobicContact CG2-CB 4.19Å; V158-V166 HydrophobicContact CG2-CG2 3.16Å; V166-V168 PolarHBondContact O-N 2.83Å; V166-M169 WeakPolarHBondContact O-CB 3.28Å; V166-M169 PolarHBondContact O-N 2.95Å; V166-M169 VanDerWaalsContact O-N 3.08Å; V166-P170 WeakPolarHBondContact O-CD 3.42Å
167S71.6Confident72.3Confident4 Ų466.2 Ų66.23%0.02835%0.346CS..G310 helixtrans-57.4-30-179.144.60000115D155 R165D155-S167 WeakPolarHBondContact OD1-CB 3.47Å; D155-S167 PolarHBondContact OD1-OG 3.34Å; R165-S167 VanDerWaalsContact CB-OG 3.23Å; R165-S167 WeakPolarHBondContact CB-OG 3.33Å; R165-S167 PolarHBondContact O-N 3.46Å; R165-S167 VanDerWaalsContact O-N 3.1Å
168V77.9Confident73.7Confident30 Ų3066.6 Ų66.618%0.18235%0.345CS..G310 helixtrans-94.2-14-179-168.40000111.8R165 V166 M171 L172R165-V168 HydrophobicContact CB-CG2 4.47Å; R165-V168 PolarHBondContact O-N 3.48Å; R165-V168 VanDerWaalsContact O-N 3.07Å; V166-V168 PolarHBondContact O-N 2.83Å; V168-M171 PolarHBondContact O-N 3.35Å; V168-L172 WeakPolarHBondContact O-CB 3.03Å; V168-L172 PolarHBondContact O-N 3.38Å
169M81.1Confident75.2Confident50 Ų5067.9 Ų67.925%0.24635%0.349CS..Hα-helixtrans-56.2-45.3-176-63.6-89.467.700114.2V164 V166 M171 L172 L173V164-M169 HydrophobicContact CB-CE 4.39Å; V164-M169 HydrophobicContact CG1-CE 3.25Å; V164-M169 HydrophobicContact CG1-CG 4.47Å; V164-M169 HydrophobicContact CG1-SD 4.08Å; V166-M169 WeakPolarHBondContact O-CB 3.28Å; V166-M169 PolarHBondContact O-N 2.95Å; V166-M169 VanDerWaalsContact O-N 3.08Å; M169-M171 VanDerWaalsContact C-N 3.27Å; M169-M171 PolarHBondContact O-N 3.45Å; M169-L172 HydrophobicContact CE-CB 4.44Å; M169-L172 HydrophobicContact CE-CD2 3.91Å; M169-L172 PolarHBondContact O-N 3.5Å; M169-L173 PolarHBondContact O-N 2.89Å
170P85.4Confident76.8Confident0 Ų066.8 Ų66.80%034%0.343CS..Hα-helixtrans-60.6-38.7-179.9-20.430.9000112.4L146 V147 V166 L174 Y194 L198 F227L146-P170 HydrophobicContact CB-CB 4.23Å; L146-P170 HydrophobicContact CB-CG 3.97Å; V147-P170 HydrophobicContact CG2-CB 4.47Å; V166-P170 WeakPolarHBondContact O-CD 3.42Å; P170-L174 PolarHBondContact O-N 3.49Å; P170-L174 VanDerWaalsContact O-N 3.09Å; P170-Y194 WeakPolarHBondContact CA-OH 3.3Å; P170-Y194 PolarHBondContact O-OH 3.02Å; P170-L198 HydrophobicContact CB-CD1 3.81Å; P170-F227 HydrophobicContact CB-CD1 4.2Å; P170-F227 HydrophobicContact CG-CD1 3.92Å; P170-F227 HydrophobicContact CG-CE1 4.13Å
171M86Confident78.6Confident24 Ų2460.8 Ų60.812%0.11832%0.32CS..Hα-helixtrans-81.8-33.6-178.4-71-56.9-48.900112.9V168 M169 L173 L174 A175 L198 F227 F228V168-M171 PolarHBondContact O-N 3.35Å; M169-M171 VanDerWaalsContact C-N 3.27Å; M169-M171 PolarHBondContact O-N 3.45Å; M171-L173 VanDerWaalsContact C-N 3.33Å; M171-L174 HydrophobicContact CE-CB 4.42Å; M171-L174 HydrophobicContact CE-CD2 3.59Å; M171-L174 WeakPolarHBondContact O-CB 3.47Å; M171-L174 PolarHBondContact O-N 2.94Å; M171-L174 HydrophobicContact SD-CD2 4.02Å; M171-A175 WeakPolarHBondContact O-CB 3.3Å; M171-A175 PolarHBondContact O-N 3.15Å; M171-L198 HydrophobicContact SD-CD1 4.17Å; M171-F227 WeakPolarHBondContact CB-O 3.42Å; M171-F227 HydrophobicContact CG-CB 3.66Å; M171-F227 WeakPolarHBondContact CG-O 3.21Å; M171-F228 HydrophobicContact CE-CD1 4.05Å; M171-F228 HydrophobicContact CE-CE1 3.25Å; M171-F228 HydrophobicContact CE-CE2 3.85Å; M171-F228 HydrophobicContact CE-CZ 3.13Å; M171-F228 HydrophobicContact CG-CD2 4.24Å; M171-F228 HydrophobicContact CG-CE2 4.12Å; M171-F228 HydrophobicContact CG-CZ 4.32Å; M171-F228 HydrophobicContact SD-CD2 4.47Å; M171-F228 HydrophobicContact SD-CE1 4.26Å; M171-F228 HydrophobicContact SD-CE2 3.75Å; M171-F228 HydrophobicContact SD-CZ 3.65Å
172L86Confident80.5Confident87 Ų8760.9 Ų60.946%0.45532%0.316SS..Hα-helixtrans-63.9-41.9173.4-174.8132.9000110.7V168 M169 A175 L176V168-L172 WeakPolarHBondContact O-CB 3.03Å; V168-L172 PolarHBondContact O-N 3.38Å; M169-L172 HydrophobicContact CE-CB 4.44Å; M169-L172 HydrophobicContact CE-CD2 3.91Å; M169-L172 PolarHBondContact O-N 3.5Å; L172-A175 PolarHBondContact O-N 2.92Å; L172-L176 WeakPolarHBondContact O-CB 3.5Å; L172-L176 PolarHBondContact O-N 3.3Å
173L88Confident82.1Confident40 Ų4059.1 Ų59.121%0.20931%0.309CS..Hα-helixtrans-67.2-39.1173.6-177.660.2000111.6L142 L146 M169 M171 A175 L176 L177 Y194L142-L173 HydrophobicContact CD2-CD2 3.9Å; L142-L173 HydrophobicContact CG-CD2 4.37Å; L146-L173 HydrophobicContact CD1-CD2 3.56Å; M169-L173 PolarHBondContact O-N 2.89Å; M171-L173 VanDerWaalsContact C-N 3.33Å; L173-A175 VanDerWaalsContact C-N 3.32Å; L173-A175 PolarHBondContact O-N 3.03Å; L173-L176 HydrophobicContact CD1-CD2 4.25Å; L173-L176 PolarHBondContact O-N 3.48Å; L173-L177 HydrophobicContact CD1-CG 4.26Å; L173-L177 HydrophobicContact CG-CD1 4.26Å; L173-L177 HydrophobicContact CG-CG 4.43Å; L173-L177 VanDerWaalsContact O-CG 3.29Å; L173-L177 WeakPolarHBondContact O-CG 3.29Å; L173-L177 PolarHBondContact O-N 2.86Å; L173-Y194 HydrophobicContact CD2-CD2 4.43Å; L173-Y194 HydrophobicContact CD2-CE2 3.53Å; L173-Y194 HydrophobicContact CG-CE2 4.02Å
174L88.8Confident83.4Confident42 Ų4256.5 Ų56.522%0.2231%0.305CS..Hα-helixtrans-57.5-46.7172.5-172.466.1000111.4P170 M171 L177 L178 L191 Y194P170-L174 PolarHBondContact O-N 3.49Å; P170-L174 VanDerWaalsContact O-N 3.09Å; M171-L174 HydrophobicContact CE-CB 4.42Å; M171-L174 HydrophobicContact CE-CD2 3.59Å; M171-L174 WeakPolarHBondContact O-CB 3.47Å; M171-L174 PolarHBondContact O-N 2.94Å; M171-L174 HydrophobicContact SD-CD2 4.02Å; L174-L177 PolarHBondContact O-N 2.72Å; L174-L178 WeakPolarHBondContact O-CB 3.49Å; L174-L178 PolarHBondContact O-N 3.25Å; L174-L191 HydrophobicContact CD1-CD1 4.04Å; L174-Y194 HydrophobicContact CB-CD1 4.26Å; L174-Y194 HydrophobicContact CB-CE1 3.78Å; L174-Y194 HydrophobicContact CD1-CD1 3.56Å; L174-Y194 HydrophobicContact CD1-CE1 3.96Å; L174-Y194 HydrophobicContact CG-CE1 4.46Å
175A87.9Confident84.3Confident48 Ų4861.9 Ų61.940%0.39733%0.332SS..Hα-helixtrans-63.9-4117900000111.5M171 L172 L173 L178 L179M171-A175 WeakPolarHBondContact O-CB 3.3Å; M171-A175 PolarHBondContact O-N 3.15Å; L172-A175 PolarHBondContact O-N 2.92Å; L173-A175 VanDerWaalsContact C-N 3.32Å; L173-A175 PolarHBondContact O-N 3.03Å; A175-L178 WeakPolarHBondContact O-CB 3.24Å; A175-L178 PolarHBondContact O-N 2.96Å; A175-L179 VanDerWaalsContact O-CG 3.3Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 3.49Å
176L89.1Confident84.9Confident83 Ų8359.5 Ų59.544%0.43533%0.326SS..Hα-helixtrans-61-49.3174.3-179.462.8000111.2L172 L173 L178 L179 L180L172-L176 WeakPolarHBondContact O-CB 3.5Å; L172-L176 PolarHBondContact O-N 3.3Å; L173-L176 HydrophobicContact CD1-CD2 4.25Å; L173-L176 PolarHBondContact O-N 3.48Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 2.94Å; L176-L179 PolarHBondContact O-N 2.95Å; L176-L179 VanDerWaalsContact O-N 3.15Å; L176-L180 HydrophobicContact CD1-CD1 3.51Å; L176-L180 HydrophobicContact CG-CD1 3.88Å; L176-L180 WeakPolarHBondContact O-CD1 3.37Å; L176-L180 PolarHBondContact O-N 3.39Å
177L88.7Confident85.4Confident15 Ų1564.8 Ų64.88%0.07935%0.35CS..Hα-helixtrans-61.3-37177.4-67.1173.6000111.9L139 L173 L174 L180 R181 L186 L191 Y194L139-L177 HydrophobicContact CD2-CD1 4.27Å; L173-L177 HydrophobicContact CD1-CG 4.26Å; L173-L177 HydrophobicContact CG-CD1 4.26Å; L173-L177 HydrophobicContact CG-CG 4.43Å; L173-L177 VanDerWaalsContact O-CG 3.29Å; L173-L177 WeakPolarHBondContact O-CG 3.29Å; L173-L177 PolarHBondContact O-N 2.86Å; L174-L177 PolarHBondContact O-N 2.72Å; L177-L180 PolarHBondContact O-N 2.96Å; L177-R181 WeakPolarHBondContact O-CB 3.36Å; L177-R181 PolarHBondContact O-N 3.34Å; L177-L186 HydrophobicContact CB-CD2 4.01Å; L177-L186 HydrophobicContact CD2-CD2 3.7Å; L177-L186 HydrophobicContact CG-CD2 4.42Å; L177-L191 HydrophobicContact CB-CD1 3.89Å; L177-Y194 HydrophobicContact CD1-CD1 3.79Å; L177-Y194 HydrophobicContact CD1-CD2 3.86Å; L177-Y194 HydrophobicContact CD1-CE1 4.38Å; L177-Y194 HydrophobicContact CD1-CE2 4.44Å; L177-Y194 HydrophobicContact CD1-CG 3.5Å; L177-Y194 VanDerWaalsContact CD1-CG 3.5Å
178L89.6Confident86Confident83 Ų8367.1 Ų67.144%0.43537%0.366SS..Hα-helixtrans-64.4-44.9174.1-179.765.9000111.4L174 A175 L176 R181 L182 L191L174-L178 WeakPolarHBondContact O-CB 3.49Å; L174-L178 PolarHBondContact O-N 3.25Å; A175-L178 WeakPolarHBondContact O-CB 3.24Å; A175-L178 PolarHBondContact O-N 2.96Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 2.94Å; L178-R181 WeakPolarHBondContact O-CB 3.19Å; L178-R181 PolarHBondContact O-N 3.47Å; L178-L182 HydrophobicContact CG-CD1 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.32Å; L178-L182 PolarHBondContact O-N 2.87Å; L178-L191 HydrophobicContact CB-CD1 4.27Å; L178-L191 HydrophobicContact CD1-CD2 3.77Å
179L90.7Very high86.4Confident110 Ų11066.5 Ų66.558%0.57636%0.363SS*.Hα-helixtrans-62.4-44176.1-72171.3000111.6A175 L176 R181 L182 A183A175-L179 VanDerWaalsContact O-CG 3.3Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 3.49Å; L176-L179 PolarHBondContact O-N 2.95Å; L176-L179 VanDerWaalsContact O-N 3.15Å; L179-R181 VanDerWaalsContact C-N 3.26Å; L179-R181 PolarHBondContact O-N 2.88Å; L179-L182 PolarHBondContact O-N 2.99Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 3.36Å
180L88.2Confident86.6Confident64 Ų6465 Ų6534%0.33536%0.359SS..Hα-helixtrans-62-36.6174.8-90.570.5000111.5L176 L177 A183 T184 L185 L186L176-L180 HydrophobicContact CD1-CD1 3.51Å; L176-L180 HydrophobicContact CG-CD1 3.88Å; L176-L180 WeakPolarHBondContact O-CD1 3.37Å; L176-L180 PolarHBondContact O-N 3.39Å; L177-L180 PolarHBondContact O-N 2.96Å; L180-A183 CarbonylContact O-C 3.59Å; L180-A183 PolarHBondContact O-N 2.9Å; L180-T184 PolarHBondContact O-N 2.8Å; L180-L185 PolarHBondContact O-N 3.34Å; L180-L186 HydrophobicContact CB-CB 4.07Å; L180-L186 PolarHBondContact O-N 2.99Å
181R87.8Confident86.9Confident90 Ų9066.6 Ų66.634%0.3437%0.367SS..Hα-helixtrans-67.1-41.6174.9175.960.6-172.399.5-5.2112.3L177 L178 L179 A183 T184 L186 L191L177-R181 WeakPolarHBondContact O-CB 3.36Å; L177-R181 PolarHBondContact O-N 3.34Å; L178-R181 WeakPolarHBondContact O-CB 3.19Å; L178-R181 PolarHBondContact O-N 3.47Å; L179-R181 VanDerWaalsContact C-N 3.26Å; L179-R181 PolarHBondContact O-N 2.88Å; R181-A183 VanDerWaalsContact C-N 3.3Å; R181-T184 WeakPolarHBondContact O-CA 3.29Å; R181-T184 PolarHBondContact O-N 3.15Å; R181-L186 HydrophobicContact CB-CB 4.44Å; R181-L186 WeakPolarHBondContact CD-O 3.45Å; R181-L191 HydrophobicContact CB-CD2 4.29Å; R181-L191 HydrophobicContact CG-CD2 4.16Å
182L88.3Confident87Confident128 Ų12866.7 Ų66.767%0.6737%0.371SS*.Hα-helixtrans-64.7-36.1175.4-71.6173.2000111.5L178 L179 T184L178-L182 HydrophobicContact CG-CD1 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.32Å; L178-L182 PolarHBondContact O-N 2.87Å; L179-L182 PolarHBondContact O-N 2.99Å; L182-T184 PolarHBondContact O-N 2.9Å
183A89.4Confident87.3Confident54 Ų5462.7 Ų62.745%0.44635%0.351SS..THydrogen-bonded Turntrans-73.20.5171.200000113.4L179 L180 R181 L185L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 3.36Å; L180-A183 CarbonylContact O-C 3.59Å; L180-A183 PolarHBondContact O-N 2.9Å; R181-A183 VanDerWaalsContact C-N 3.3Å; A183-L185 HydrophobicContact CB-CD1 3.92Å; A183-L185 WeakPolarHBondContact O-CD1 3.41Å; A183-L185 PolarHBondContact O-N 3.4Å
184T84.8Confident87.5Confident115 Ų11560.8 Ų60.871%0.70634%0.341SS*.THydrogen-bonded Turntrans62.512.2-177.467.60000115.6L180 R181 L182 L186L180-T184 PolarHBondContact O-N 2.8Å; R181-T184 WeakPolarHBondContact O-CA 3.29Å; R181-T184 PolarHBondContact O-N 3.15Å; L182-T184 PolarHBondContact O-N 2.9Å; T184-L186 VanDerWaalsContact C-N 3.35Å
185L80Confident87.6Confident138 Ų13859.5 Ų59.572%0.72334%0.338SS*.  trans-78.9-18.4176.9-88.469000112.9L180 A183L180-L185 PolarHBondContact O-N 3.34Å; A183-L185 HydrophobicContact CB-CD1 3.92Å; A183-L185 WeakPolarHBondContact O-CD1 3.41Å; A183-L185 PolarHBondContact O-N 3.4Å
186L82.4Confident87.7Confident39 Ų3959.3 Ų59.320%0.20433%0.328CS..SBendtrans-119.5141.6-177.6-164.673.1000111.8L177 L180 R181 T184 A190L177-L186 HydrophobicContact CB-CD2 4.01Å; L177-L186 HydrophobicContact CD2-CD2 3.7Å; L177-L186 HydrophobicContact CG-CD2 4.42Å; L180-L186 HydrophobicContact CB-CB 4.07Å; L180-L186 PolarHBondContact O-N 2.99Å; R181-L186 HydrophobicContact CB-CB 4.44Å; R181-L186 WeakPolarHBondContact CD-O 3.45Å; T184-L186 VanDerWaalsContact C-N 3.35Å; L186-A190 HydrophobicContact CD1-CB 4.09Å; L186-A190 HydrophobicContact CD2-CB 4.08Å; L186-A190 HydrophobicContact CG-CB 3.98Å
187Q82.7Confident87.9Confident116 Ų11655.4 Ų55.454%0.54231%0.308SS..  trans-70.9145.5174.6-63.3-177.6-14.200111.4P189 A190Q187-P189 HydrophobicContact CB-CG 4.06Å; Q187-A190 PolarHBondContact O-N 3.06Å
188S82.6Confident88Confident53 Ų5354.8 Ų54.837%0.37131%0.305SS..Hα-helixtrans-54.1-42.5175.8-163.70000115.3A190 L191 A192S188-A190 VanDerWaalsContact C-N 3.27Å; S188-A190 PolarHBondContact O-N 3.37Å; S188-L191 PolarHBondContact O-N 3.27Å; S188-A192 PolarHBondContact O-N 2.88Å
189P85.9Confident87.9Confident17 Ų1754.2 Ų54.211%0.1130%0.302CS..Hα-helixtrans-61.3-32.7-179.620.5-35000113.6Y117 V133 I135 Q187 A192 S193Y117-P189 WeakPolarHBondContact OH-CA 3.44Å; Y117-P189 VanDerWaalsContact OH-N 3.15Å; V133-P189 HydrophobicContact CG1-CB 4.15Å; V133-P189 HydrophobicContact CG1-CG 4.22Å; I135-P189 HydrophobicContact CG1-CB 4.38Å; Q187-P189 HydrophobicContact CB-CG 4.06Å; P189-A192 PolarHBondContact O-N 2.87Å; P189-S193 WeakPolarHBondContact O-CB 3.49Å; P189-S193 PolarHBondContact O-N 3.12Å; P189-S193 PolarHBondContact O-OG 3.31Å; P189-S193 VanDerWaalsContact O-OG 3.11Å
190A87.1Confident87.9Confident20 Ų2049.7 Ų49.717%0.16528%0.279CS..Hα-helixtrans-65.5-42.6179.500000112.3L139 L186 Q187 S188 S193 Y194L139-A190 HydrophobicContact CD2-CB 3.79Å; L139-A190 WeakPolarHBondContact CD2-O 3.19Å; L186-A190 HydrophobicContact CD1-CB 4.09Å; L186-A190 HydrophobicContact CD2-CB 4.08Å; L186-A190 HydrophobicContact CG-CB 3.98Å; Q187-A190 PolarHBondContact O-N 3.06Å; S188-A190 VanDerWaalsContact C-N 3.27Å; S188-A190 PolarHBondContact O-N 3.37Å; A190-S193 WeakPolarHBondContact CA-OG 3.4Å; A190-S193 PolarHBondContact O-OG 3.45Å; A190-Y194 WeakPolarHBondContact O-CB 3.44Å; A190-Y194 PolarHBondContact O-N 3.2Å; A190-Y194 VanDerWaalsContact O-N 3.12Å
191L89.9Confident88.1Confident33 Ų3346.7 Ų46.717%0.17326%0.263CS..Hα-helixtrans-64.5-44175.5-179.266.8000111.1L174 L177 L178 R181 S188 G195L174-L191 HydrophobicContact CD1-CD1 4.04Å; L177-L191 HydrophobicContact CB-CD1 3.89Å; L178-L191 HydrophobicContact CB-CD1 4.27Å; L178-L191 HydrophobicContact CD1-CD2 3.77Å; R181-L191 HydrophobicContact CB-CD2 4.29Å; R181-L191 HydrophobicContact CG-CD2 4.16Å; S188-L191 PolarHBondContact O-N 3.27Å; L191-G195 PolarHBondContact O-N 2.98Å
192A89.6Confident88.1Confident25 Ų2543 Ų4321%0.20725%0.249CC..Hα-helixtrans-64-45179.500000111.6S188 P189 Y194 G195 F196S188-A192 PolarHBondContact O-N 2.88Å; P189-A192 PolarHBondContact O-N 2.87Å; A192-Y194 PolarHBondContact O-N 3.12Å; A192-G195 PolarHBondContact O-N 3.23Å; A192-F196 HydrophobicContact CB-CD2 4.28Å; A192-F196 HydrophobicContact CB-CE2 3.98Å; A192-F196 WeakPolarHBondContact O-CB 3.1Å; A192-F196 WeakPolarHBondContact O-CD2 3.28Å; A192-F196 WeakPolarHBondContact O-CG 3.44Å; A192-F196 PolarHBondContact O-N 2.89Å
193S90.9Very high87.9Confident3 Ų338.2 Ų38.22%0.02123%0.226CC..Hα-helixtrans-63.1-42.9179.661.50000111.9G140 P189 A190 G197G140-S193 WeakPolarHBondContact CA-O 3.25Å; P189-S193 WeakPolarHBondContact O-CB 3.49Å; P189-S193 PolarHBondContact O-N 3.12Å; P189-S193 PolarHBondContact O-OG 3.31Å; P189-S193 VanDerWaalsContact O-OG 3.11Å; A190-S193 WeakPolarHBondContact CA-OG 3.4Å; A190-S193 PolarHBondContact O-OG 3.45Å; S193-G197 PolarHBondContact O-N 2.85Å
194Y92.7Very high87.9Confident0 Ų036.6 Ų36.60%021%0.208CC..Hα-helixtrans-62.9-46.8175.7-176.8-92.3000111.7L139 L142 L146 P170 L173 L174 L177 A190 A192 G197 L198L139-Y194 HydrophobicContact CG-CD2 4.24Å; L139-Y194 WeakPolarHBondContact O-CD2 3.41Å; L142-Y194 HydrophobicContact CG-CE2 4.49Å; L146-Y194 HydrophobicContact CD1-CE2 4.2Å; L146-Y194 WeakPolarHBondContact CD1-OH 3.29Å; P170-Y194 WeakPolarHBondContact CA-OH 3.3Å; P170-Y194 PolarHBondContact O-OH 3.02Å; L173-Y194 HydrophobicContact CD2-CD2 4.43Å; L173-Y194 HydrophobicContact CD2-CE2 3.53Å; L173-Y194 HydrophobicContact CG-CE2 4.02Å; L174-Y194 HydrophobicContact CB-CD1 4.26Å; L174-Y194 HydrophobicContact CB-CE1 3.78Å; L174-Y194 HydrophobicContact CD1-CD1 3.56Å; L174-Y194 HydrophobicContact CD1-CE1 3.96Å; L174-Y194 HydrophobicContact CG-CE1 4.46Å; L177-Y194 HydrophobicContact CD1-CD1 3.79Å; L177-Y194 HydrophobicContact CD1-CD2 3.86Å; L177-Y194 HydrophobicContact CD1-CE1 4.38Å; L177-Y194 HydrophobicContact CD1-CE2 4.44Å; L177-Y194 HydrophobicContact CD1-CG 3.5Å; L177-Y194 VanDerWaalsContact CD1-CG 3.5Å; A190-Y194 WeakPolarHBondContact O-CB 3.44Å; A190-Y194 PolarHBondContact O-N 3.2Å; A190-Y194 VanDerWaalsContact O-N 3.12Å; A192-Y194 PolarHBondContact O-N 3.12Å; Y194-G197 PolarHBondContact O-N 3.29Å; Y194-L198 HydrophobicContact CE1-CD1 4.13Å; Y194-L198 WeakPolarHBondContact O-CB 3.28Å; Y194-L198 PolarHBondContact O-N 3.48Å
195G90.4Very high88Confident16 Ų1631.1 Ų31.117%0.16517%0.174CC..Hα-helixtrans-62.4-46178.500000112.9L191 A192 G197 L198 L199L191-G195 PolarHBondContact O-N 2.98Å; A192-G195 PolarHBondContact O-N 3.23Å; G195-G197 VanDerWaalsContact C-N 3.32Å; G195-G197 PolarHBondContact O-N 3.25Å; G195-L198 PolarHBondContact O-N 2.81Å; G195-L199 WeakPolarHBondContact O-CG 3.19Å; G195-L199 PolarHBondContact O-N 2.94Å
196F91.6Very high88.1Confident44 Ų4426 Ų2619%0.19315%0.145CC..Hα-helixtrans-66.5-34.3176.3-66.4-45.6000112.4V109 L112 A116 A192 L199 S200V109-F196 HydrophobicContact CG2-CB 4.37Å; L112-F196 HydrophobicContact CB-CB 4.28Å; L112-F196 HydrophobicContact CB-CD1 3.96Å; L112-F196 HydrophobicContact CB-CD2 4.26Å; L112-F196 HydrophobicContact CB-CE1 4.39Å; L112-F196 HydrophobicContact CB-CG 3.91Å; L112-F196 HydrophobicContact CD2-CB 4.47Å; L112-F196 HydrophobicContact CD2-CD1 3.83Å; L112-F196 HydrophobicContact CD2-CE1 4.49Å; L112-F196 HydrophobicContact CD2-CG 4.36Å; L112-F196 HydrophobicContact CG-CD1 4.49Å; A116-F196 HydrophobicContact CB-CE2 3.79Å; A116-F196 HydrophobicContact CB-CZ 3.51Å; A192-F196 HydrophobicContact CB-CD2 4.28Å; A192-F196 HydrophobicContact CB-CE2 3.98Å; A192-F196 WeakPolarHBondContact O-CB 3.1Å; A192-F196 WeakPolarHBondContact O-CD2 3.28Å; A192-F196 WeakPolarHBondContact O-CG 3.44Å; A192-F196 PolarHBondContact O-N 2.89Å; F196-L199 PolarHBondContact O-N 3.26Å; F196-S200 VanDerWaalsContact O-CB 3.27Å; F196-S200 WeakPolarHBondContact O-CB 3.28Å; F196-S200 PolarHBondContact O-N 2.84Å; F196-S200 PolarHBondContact O-OG 3.44Å; F196-S200 VanDerWaalsContact O-OG 3.08Å
197G91.9Very high87.9Confident0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-67.8-40.1175.900000112.8G140 S193 Y194 G195 S200 S201G140-G197 WeakPolarHBondContact O-CA 3.43Å; S193-G197 PolarHBondContact O-N 2.85Å; Y194-G197 PolarHBondContact O-N 3.29Å; G195-G197 VanDerWaalsContact C-N 3.32Å; G195-G197 PolarHBondContact O-N 3.25Å; G197-S200 PolarHBondContact O-OG 2.85Å; G197-S201 WeakPolarHBondContact O-CB 3.38Å; G197-S201 PolarHBondContact O-N 3.49Å
198L91.1Very high87.7Confident3 Ų324.8 Ų24.82%0.01614%0.135CC..Hα-helixtrans-61.4-48.7173.1-171.7160.5000110.7V147 P170 M171 Y194 G195 W202 F224V147-L198 HydrophobicContact CG2-CB 4.4Å; V147-L198 HydrophobicContact CG2-CD2 4.26Å; V147-L198 HydrophobicContact CG2-CG 3.69Å; P170-L198 HydrophobicContact CB-CD1 3.81Å; M171-L198 HydrophobicContact SD-CD1 4.17Å; Y194-L198 HydrophobicContact CE1-CD1 4.13Å; Y194-L198 WeakPolarHBondContact O-CB 3.28Å; Y194-L198 PolarHBondContact O-N 3.48Å; G195-L198 PolarHBondContact O-N 2.81Å; L198-W202 WeakPolarHBondContact O-CB 3.27Å; L198-W202 PolarHBondContact O-N 3.47Å; L198-F224 HydrophobicContact CD2-CE2 3.68Å; L198-F224 HydrophobicContact CD2-CZ 4.38Å
199L88.8Confident87.6Confident71 Ų7122.7 Ų22.737%0.37212%0.119SC..Hα-helixtrans-64.1-48.4179.3-72.1171.3000112.1G195 F196 W202 V203 F224G195-L199 WeakPolarHBondContact O-CG 3.19Å; G195-L199 PolarHBondContact O-N 2.94Å; F196-L199 PolarHBondContact O-N 3.26Å; L199-W202 PolarHBondContact O-N 3.48Å; L199-V203 WeakPolarHBondContact O-CG2 3.24Å; L199-V203 PolarHBondContact O-N 3.15Å; L199-F224 HydrophobicContact CD2-CE2 3.89Å; L199-F224 HydrophobicContact CD2-CZ 3.99Å
200S90.8Very high87Confident15 Ų1530.1 Ų30.111%0.10515%0.145CC..Hα-helixtrans-66.8-39.6-177.769.20000112S108 F196 G197 V203 Y204S108-S200 WeakPolarHBondContact OG-CB 3.46Å; S108-S200 PolarHBondContact OG-OG 3.35Å; F196-S200 VanDerWaalsContact O-CB 3.27Å; F196-S200 WeakPolarHBondContact O-CB 3.28Å; F196-S200 PolarHBondContact O-N 2.84Å; F196-S200 PolarHBondContact O-OG 3.44Å; F196-S200 VanDerWaalsContact O-OG 3.08Å; G197-S200 PolarHBondContact O-OG 2.85Å; S200-V203 PolarHBondContact O-N 2.82Å; S200-Y204 WeakPolarHBondContact O-CB 3.28Å; S200-Y204 PolarHBondContact O-N 3.18Å
201S90.8Very high86.3Confident0 Ų034 Ų340%016%0.16CC..Hα-helixtrans-63.7-42.4173.1-1780000112.1F101 G144 G197 Y204 L205F101-S201 VanDerWaalsContact CE2-OG 3.29Å; F101-S201 WeakPolarHBondContact CE2-OG 3.27Å; F101-S201 WeakPolarHBondContact CZ-OG 3.32Å; G144-S201 VanDerWaalsContact CA-OG 3.29Å; G144-S201 WeakPolarHBondContact CA-OG 3.44Å; G144-S201 PolarHBondContact O-OG 3.23Å; G197-S201 WeakPolarHBondContact O-CB 3.38Å; G197-S201 PolarHBondContact O-N 3.49Å; S201-Y204 PolarHBondContact O-N 3.39Å; S201-L205 WeakPolarHBondContact O-CB 3.23Å; S201-L205 VanDerWaalsContact O-CG 3.24Å; S201-L205 WeakPolarHBondContact O-CG 3.29Å; S201-L205 PolarHBondContact O-N 3.02Å; S201-L205 WeakPolarHBondContact OG-CD1 3.36Å
202W88.4Confident85.1Confident12 Ų1238 Ų385%0.04519%0.19CC..Hα-helixtrans-61.2-45.9176.6174.676.2000111.2V147 L198 L199 Y204 L205 R206 F207 F222 F224 F227V147-W202 HydrophobicContact CG1-CB 4.24Å; L198-W202 WeakPolarHBondContact O-CB 3.27Å; L198-W202 PolarHBondContact O-N 3.47Å; L199-W202 PolarHBondContact O-N 3.48Å; W202-Y204 PolarHBondContact O-N 3.44Å; W202-L205 PolarHBondContact O-N 3.48Å; W202-R206 HydrophobicContact CZ2-CG 4.37Å; W202-R206 WeakPolarHBondContact O-CB 3.29Å; W202-R206 PolarHBondContact O-N 3.05Å; W202-F207 HydrophobicContact CH2-CE2 4.48Å; W202-F222 AromaticContact CD1-CE1 3.78Å; W202-F222 AromaticContact CD1-CZ 3.95Å; W202-F222 PolarHBondContact NE1-O 3.26Å; W202-F224 HydrophobicContact CD2-CB 4.34Å; W202-F224 HydrophobicContact CD2-CD2 4.06Å; W202-F224 HydrophobicContact CE3-CD2 4.49Å; W202-F224 HydrophobicContact CG-CD2 4.09Å; W202-F224 HydrophobicContact CH2-CB 4.43Å; W202-F224 HydrophobicContact CZ2-CB 3.85Å; W202-F227 AromaticContact CD1-CE2 3.61Å; W202-F227 AromaticContact CD1-CZ 3.97Å
203V85.1Confident83.9Confident29 Ų2948.1 Ų48.118%0.17622%0.223CC..Hα-helixtrans-61.1-44.9176.1173.90000111.2L199 S200 F207 Y208 L247L199-V203 WeakPolarHBondContact O-CG2 3.24Å; L199-V203 PolarHBondContact O-N 3.15Å; S200-V203 PolarHBondContact O-N 2.82Å; V203-F207 HydrophobicContact CG1-CD2 4.14Å; V203-F207 WeakPolarHBondContact O-CD2 3.44Å; V203-F207 PolarHBondContact O-N 3.22Å; V203-Y208 HydrophobicContact CG1-CD2 4.45Å; V203-Y208 HydrophobicContact CG1-CE2 4.16Å; V203-L247 HydrophobicContact CB-CD2 4.44Å; V203-L247 HydrophobicContact CG1-CD2 3.78Å; V203-L247 HydrophobicContact CG2-CD2 3.71Å
204Y88Confident83Confident19 Ų1949.8 Ų49.88%0.07524%0.241CC..Iπ-helixtrans-61.7-50179.5178.2-94000111.9I100 F101 V104 S200 S201 W202 Y208 Q209I100-Y204 HydrophobicContact CG2-CE2 4.35Å; I100-Y204 WeakPolarHBondContact CG2-OH 3.45Å; F101-Y204 HydrophobicContact CB-CE1 4.16Å; F101-Y204 AromaticContact CD2-CD1 3.46Å; F101-Y204 HydrophobicContact CD2-CD1 3.46Å; F101-Y204 VanDerWaalsContact CD2-CD1 3.46Å; F101-Y204 AromaticContact CD2-CE1 3.61Å; F101-Y204 HydrophobicContact CD2-CE1 3.61Å; F101-Y204 HydrophobicContact CD2-CG 4.34Å; F101-Y204 AromaticContact CE2-CD1 4Å; F101-Y204 HydrophobicContact CE2-CD1 4Å; F101-Y204 HydrophobicContact CG-CE1 4.37Å; V104-Y204 HydrophobicContact CB-CD2 4.31Å; V104-Y204 HydrophobicContact CB-CE2 4.42Å; V104-Y204 HydrophobicContact CG1-CD2 3.77Å; V104-Y204 HydrophobicContact CG1-CE2 4.32Å; V104-Y204 HydrophobicContact CG1-CG 4.42Å; V104-Y204 HydrophobicContact CG2-CD2 4.47Å; V104-Y204 HydrophobicContact CG2-CE2 4.21Å; S200-Y204 WeakPolarHBondContact O-CB 3.28Å; S200-Y204 PolarHBondContact O-N 3.18Å; S201-Y204 PolarHBondContact O-N 3.39Å; W202-Y204 PolarHBondContact O-N 3.44Å; Y204-Y208 CarbonylContact O-C 3.59Å; Y204-Y208 WeakPolarHBondContact O-CA 3Å; Y204-Y208 WeakPolarHBondContact O-CB 3.29Å; Y204-Y208 PolarHBondContact O-N 2.87Å; Y204-Q209 HydrophobicContact CE1-CB 4.31Å; Y204-Q209 PolarHBondContact O-N 3.23Å
205L86.5Confident82Confident0 Ų058.4 Ų58.40%027%0.274CS..Iπ-helixtrans-68.6-37.4-178.5-65168.5000112.1W93 F101 V147 A148 S201 W202 Q209 G216 D217 F222W93-L205 HydrophobicContact CH2-CD2 3.53Å; W93-L205 HydrophobicContact CZ2-CD2 3.81Å; W93-L205 HydrophobicContact CZ3-CD2 4.36Å; F101-L205 HydrophobicContact CD2-CD2 4.48Å; F101-L205 HydrophobicContact CE2-CD1 4.37Å; F101-L205 HydrophobicContact CE2-CD2 4.22Å; F101-L205 HydrophobicContact CE2-CG 4.23Å; V147-L205 HydrophobicContact CG1-CD1 3.85Å; A148-L205 HydrophobicContact CB-CD1 3.93Å; S201-L205 WeakPolarHBondContact O-CB 3.23Å; S201-L205 VanDerWaalsContact O-CG 3.24Å; S201-L205 WeakPolarHBondContact O-CG 3.29Å; S201-L205 PolarHBondContact O-N 3.02Å; S201-L205 WeakPolarHBondContact OG-CD1 3.36Å; W202-L205 PolarHBondContact O-N 3.48Å; L205-Q209 HydrophobicContact CD2-CB 4.39Å; L205-Q209 HydrophobicContact CD2-CG 4.35Å; L205-G216 WeakPolarHBondContact O-CA 3.29Å; L205-D217 PolarHBondContact O-N 2.99Å; L205-D217 VanDerWaalsContact O-N 3.11Å; L205-F222 HydrophobicContact CB-CE1 3.81Å; L205-F222 HydrophobicContact CB-CZ 3.75Å; L205-F222 HydrophobicContact CD1-CZ 4.07Å
206R82.2Confident81.3Confident30 Ų3058.6 Ų58.611%0.11328%0.275CS..Iπ-helixtrans-65.9-46.5177.6-170.979.2-171.1161.1-11.1111.7W202 G216 D217 M218 A219 F222W202-R206 HydrophobicContact CZ2-CG 4.37Å; W202-R206 WeakPolarHBondContact O-CB 3.29Å; W202-R206 PolarHBondContact O-N 3.05Å; R206-G216 CarbonylContact O-C 3.51Å; R206-G216 WeakPolarHBondContact O-CA 3.32Å; R206-D217 WeakPolarHBondContact CD-O 3.36Å; R206-D217 VanDerWaalsContact CZ-O 3.27Å; R206-D217 PolarHBondContact NE-O 3.4Å; R206-D217 PolarHBondContact NH1-O 3.48Å; R206-D217 PolarHBondContact O-N 3.47Å; R206-M218 HydrophobicContact CG-CE 4.43Å; R206-M218 VanDerWaalsContact CZ-CA 3.41Å; R206-M218 VanDerWaalsContact NH1-CA 3.29Å; R206-M218 PolarHBondContact NH1-O 3.33Å; R206-M218 VanDerWaalsContact NH2-C 3.25Å; R206-M218 PolarHBondContact NH2-O 3.5Å; R206-M218 WeakPolarHBondContact O-CE 3.43Å; R206-A219 VanDerWaalsContact NH1-N 3.19Å; R206-A219 PolarHBondContact NH1-O 2.91Å; R206-F222 HydrophobicContact CB-CE1 4.27Å
207F78.9Confident80.5Confident24 Ų2458.1 Ų58.111%0.10528%0.275CS..Iπ-helixtrans-114.4-28.4-166.6-61-72.7000115.7W202 V203 M218 H244 C253W202-F207 HydrophobicContact CH2-CE2 4.48Å; V203-F207 HydrophobicContact CG1-CD2 4.14Å; V203-F207 WeakPolarHBondContact O-CD2 3.44Å; V203-F207 PolarHBondContact O-N 3.22Å; F207-M218 HydrophobicContact CD1-CE 3.43Å; F207-M218 VanDerWaalsContact CD1-CE 3.43Å; F207-M218 HydrophobicContact CE1-CE 3.79Å; F207-M218 HydrophobicContact CE1-SD 4.34Å; F207-M218 HydrophobicContact CG-CE 4.3Å; F207-H244 AromaticContact CE1-CE1 3.58Å; F207-H244 AromaticContact CE1-ND1 3.99Å; F207-H244 AromaticContact CZ-CE1 3.58Å; F207-H244 AromaticContact CZ-ND1 3.51Å; F207-C253 HydrophobicContact CD1-CB 4.3Å; F207-C253 VanDerWaalsContact CD2-SG 3.5Å; F207-C253 HydrophobicContact CE1-CB 4.4Å
208Y78.8Confident79.2Confident107 Ų10761.6 Ų61.642%0.4229%0.292SS..Iπ-helixtrans-113.7-23.2-166.1-69.4-82000114.8V203 Y204 R210 I252V203-Y208 HydrophobicContact CG1-CD2 4.45Å; V203-Y208 HydrophobicContact CG1-CE2 4.16Å; Y204-Y208 CarbonylContact O-C 3.59Å; Y204-Y208 WeakPolarHBondContact O-CA 3Å; Y204-Y208 WeakPolarHBondContact O-CB 3.29Å; Y204-Y208 PolarHBondContact O-N 2.87Å; Y208-R210 PolarHBondContact O-N 2.82Å; Y208-I252 HydrophobicContact CE2-CG2 4.38Å; Y208-I252 WeakPolarHBondContact OH-CG2 3.39Å; Y208-I252 PolarHBondContact OH-O 3Å
209Q81.2Confident78.2Confident9 Ų963 Ų634%0.04230%0.303CS..  trans-55.8128.6-177.5-176.7-179.816.200111.1Y204 L205 H211 R215 G216Y204-Q209 HydrophobicContact CE1-CB 4.31Å; Y204-Q209 PolarHBondContact O-N 3.23Å; L205-Q209 HydrophobicContact CD2-CB 4.39Å; L205-Q209 HydrophobicContact CD2-CG 4.35Å; Q209-H211 PolarHBondContact O-N 3.38Å; Q209-R215 CarbonylContact O-C 3.54Å; Q209-R215 WeakPolarHBondContact O-CA 3.25Å; Q209-G216 PolarHBondContact O-N 3.43Å
210R72.9Confident77.2Confident173 Ų17366.1 Ų66.165%0.65332%0.321SS*.EExtended strand (participates in β ladder)trans-80.1123.5177.6-168.4173.2179.8135.6-1.8109.1Y208Y208-R210 PolarHBondContact O-N 2.82Å
211H72.4Confident76.3Confident102 Ų10270.4 Ų70.447%0.47234%0.339SS..EExtended strand (participates in β ladder)trans-121.9155.1172.6-146.766.4000109.9Q209 R213 G214Q209-H211 PolarHBondContact O-N 3.38Å; H211-R213 PolarHBondContact O-N 3.41Å; H211-G214 CarbonylContact C-O 3.58Å; H211-G214 WeakPolarHBondContact CA-O 3.45Å; H211-G214 WeakPolarHBondContact CB-O 3.44Å; H211-G214 PolarHBondContact N-O 3.32Å; H211-G214 PolarHBondContact O-N 3.11Å
212S64.2Low75.5Confident117 Ų11770.4 Ų70.482%0.81834%0.339SS*.THydrogen-bonded Turntrans-59.9-27.1176.453.40000112.6
213R64.3Low74.9Confident236 Ų23671.3 Ų71.389%0.89135%0.349SS*.THydrogen-bonded Turntrans-95.4-2.4-179.3-63.7180167.6177.5-4.1114.7H211H211-R213 PolarHBondContact O-N 3.41Å
214G71.3Confident74.4Confident39 Ų3971.2 Ų71.240%0.40235%0.346SS..EExtended strand (participates in β ladder)trans152.6-166.3-175.500000114.1H211H211-G214 CarbonylContact C-O 3.58Å; H211-G214 WeakPolarHBondContact CA-O 3.45Å; H211-G214 WeakPolarHBondContact CB-O 3.44Å; H211-G214 PolarHBondContact N-O 3.32Å; H211-G214 PolarHBondContact O-N 3.11Å
215R73.5Confident73.6Confident181 Ų18171 Ų7168%0.68335%0.348SS*.EExtended strand (participates in β ladder)trans-109.4131.1175-70.4-178176.1146.6-1.2110.5Q209Q209-R215 CarbonylContact O-C 3.54Å; Q209-R215 WeakPolarHBondContact O-CA 3.25Å
216G75.3Confident73Confident19 Ų1972.6 Ų72.620%0.19636%0.358CS..SBendtrans73.6168.5177.300000113.9L205 R206 Q209L205-G216 WeakPolarHBondContact O-CA 3.29Å; R206-G216 CarbonylContact O-C 3.51Å; R206-G216 WeakPolarHBondContact O-CA 3.32Å; Q209-G216 PolarHBondContact O-N 3.43Å
217D73.7Confident72.6Confident34 Ų3471.1 Ų71.118%0.18235%0.352CS..  trans-108.1108.4171.2-173.3-9.3000109.8Q151 L205 R206 A219 H221Q151-D217 VanDerWaalsContact NE2-CB 3.3Å; Q151-D217 PolarHBondContact NE2-OD2 3.18Å; L205-D217 PolarHBondContact O-N 2.99Å; L205-D217 VanDerWaalsContact O-N 3.11Å; R206-D217 WeakPolarHBondContact CD-O 3.36Å; R206-D217 VanDerWaalsContact CZ-O 3.27Å; R206-D217 PolarHBondContact NE-O 3.4Å; R206-D217 PolarHBondContact NH1-O 3.48Å; R206-D217 PolarHBondContact O-N 3.47Å; D217-A219 WeakPolarHBondContact OD1-CB 3.41Å; D217-A219 PolarHBondContact OD1-N 3.09Å; D217-H221 IonicContact OD2-NE2 3.3Å
218M65.9Low72.3Confident74 Ų7471.7 Ų71.737%0.36535%0.354SS..  trans-93.18.3179.9-67-60.8151.600114R206 F207 T256R206-M218 HydrophobicContact CG-CE 4.43Å; R206-M218 VanDerWaalsContact CZ-CA 3.41Å; R206-M218 VanDerWaalsContact NH1-CA 3.29Å; R206-M218 PolarHBondContact NH1-O 3.33Å; R206-M218 VanDerWaalsContact NH2-C 3.25Å; R206-M218 PolarHBondContact NH2-O 3.5Å; R206-M218 WeakPolarHBondContact O-CE 3.43Å; F207-M218 HydrophobicContact CD1-CE 3.43Å; F207-M218 VanDerWaalsContact CD1-CE 3.43Å; F207-M218 HydrophobicContact CE1-CE 3.79Å; F207-M218 HydrophobicContact CE1-SD 4.34Å; F207-M218 HydrophobicContact CG-CE 4.3Å; M218-T256 HydrophobicContact CE-CG2 3.9Å; M218-T256 HydrophobicContact CG-CG2 4.39Å; M218-T256 HydrophobicContact SD-CG2 4.06Å
219A69.6Low72.1Confident31 Ų3169.3 Ų69.326%0.25635%0.352SS..  trans-71.2143.2-17600000113.3R206 D217 H221 F222R206-A219 VanDerWaalsContact NH1-N 3.19Å; R206-A219 PolarHBondContact NH1-O 2.91Å; D217-A219 WeakPolarHBondContact OD1-CB 3.41Å; D217-A219 PolarHBondContact OD1-N 3.09Å; A219-H221 WeakPolarHBondContact CB-CE1 3.18Å; A219-H221 WeakPolarHBondContact CB-ND1 3.49Å; A219-H221 PolarHBondContact O-N 3.2Å; A219-F222 PolarHBondContact O-N 3.38Å
220D68.3Low71.7Confident138 Ų13874.8 Ų74.874%0.73838%0.378SS*.G310 helixtrans-65.6-24.3-175.3-65.1-37.2000113.1F222 A223D220-F222 PolarHBondContact O-N 2.83Å; D220-A223 VanDerWaalsContact O-CB 3.3Å; D220-A223 WeakPolarHBondContact O-CB 3.09Å; D220-A223 PolarHBondContact O-N 3.41Å; D220-A223 VanDerWaalsContact O-N 3.15Å
221H71Confident71.7Confident104 Ų10473.5 Ų73.548%0.48138%0.383SS..G310 helixtrans-65.2-23174.768.2-96.7000113D217 A219 T226D217-H221 IonicContact OD2-NE2 3.3Å; A219-H221 WeakPolarHBondContact CB-CE1 3.18Å; A219-H221 WeakPolarHBondContact CB-ND1 3.49Å; A219-H221 PolarHBondContact O-N 3.2Å; H221-T226 PolarHBondContact O-OG1 3.47Å
222F75.1Confident71.6Confident1 Ų172.6 Ų72.60%0.00438%0.381CS..G310 helixtrans-98.218.1176.7-166-110.2000113.2V147 Q151 W202 L205 R206 A219 D220 F227V147-F222 HydrophobicContact CG1-CE2 4.01Å; V147-F222 HydrophobicContact CG1-CZ 3.75Å; Q151-F222 HydrophobicContact CB-CD2 3.89Å; Q151-F222 HydrophobicContact CB-CE2 3.65Å; Q151-F222 HydrophobicContact CB-CZ 4.36Å; Q151-F222 HydrophobicContact CG-CD2 3.98Å; Q151-F222 HydrophobicContact CG-CE2 4.04Å; Q151-F222 HydrophobicContact CG-CG 4.41Å; W202-F222 AromaticContact CD1-CE1 3.78Å; W202-F222 AromaticContact CD1-CZ 3.95Å; W202-F222 PolarHBondContact NE1-O 3.26Å; L205-F222 HydrophobicContact CB-CE1 3.81Å; L205-F222 HydrophobicContact CB-CZ 3.75Å; L205-F222 HydrophobicContact CD1-CZ 4.07Å; R206-F222 HydrophobicContact CB-CE1 4.27Å; A219-F222 PolarHBondContact O-N 3.38Å; D220-F222 PolarHBondContact O-N 2.83Å; F222-F227 HydrophobicContact CD2-CZ 4.42Å; F222-F227 AromaticContact CE2-CZ 3.93Å; F222-F227 HydrophobicContact CE2-CZ 3.93Å; F222-F227 HydrophobicContact CZ-CZ 4.4Å
223A74.4Confident72.2Confident30 Ų3069.9 Ų69.925%0.24836%0.355CS..SBendtrans-64.2148.8171.500000111.5D220 A225 T226 F227D220-A223 VanDerWaalsContact O-CB 3.3Å; D220-A223 WeakPolarHBondContact O-CB 3.09Å; D220-A223 PolarHBondContact O-N 3.41Å; D220-A223 VanDerWaalsContact O-N 3.15Å; A223-A225 PolarHBondContact O-N 2.76Å; A223-A225 VanDerWaalsContact O-N 3.13Å; A223-T226 HydrophobicContact CB-CG2 4.4Å; A223-T226 PolarHBondContact O-N 3.16Å; A223-T226 PolarHBondContact O-OG1 2.9Å; A223-F227 WeakPolarHBondContact O-CD2 3.48Å
224F74.4Confident72.5Confident28 Ų2863.2 Ų63.212%0.12334%0.342CS..G310 helixtrans-60.4-26.1177.5-169.9-102.9000112.5L198 L199 W202 T226 F227 F228 V236 A240L198-F224 HydrophobicContact CD2-CE2 3.68Å; L198-F224 HydrophobicContact CD2-CZ 4.38Å; L199-F224 HydrophobicContact CD2-CE2 3.89Å; L199-F224 HydrophobicContact CD2-CZ 3.99Å; W202-F224 HydrophobicContact CD2-CB 4.34Å; W202-F224 HydrophobicContact CD2-CD2 4.06Å; W202-F224 HydrophobicContact CE3-CD2 4.49Å; W202-F224 HydrophobicContact CG-CD2 4.09Å; W202-F224 HydrophobicContact CH2-CB 4.43Å; W202-F224 HydrophobicContact CZ2-CB 3.85Å; F224-T226 PolarHBondContact O-N 2.93Å; F224-F227 HydrophobicContact CD2-CD2 4.22Å; F224-F227 HydrophobicContact CD2-CE2 4.45Å; F224-F227 VanDerWaalsContact O-CD2 3.32Å; F224-F227 WeakPolarHBondContact O-CD2 3.32Å; F224-F227 PolarHBondContact O-N 3.09Å; F224-F228 HydrophobicContact CD1-CE2 4.3Å; F224-F228 AromaticContact CE1-CE2 3.74Å; F224-F228 HydrophobicContact CE1-CE2 3.74Å; F224-F228 HydrophobicContact CE1-CZ 4.32Å; F224-F228 HydrophobicContact CZ-CE2 4.14Å; F224-V236 HydrophobicContact CD1-CG1 3.43Å; F224-V236 VanDerWaalsContact CD1-CG1 3.43Å; F224-V236 HydrophobicContact CE1-CG1 3.8Å; F224-A240 HydrophobicContact CB-CB 3.74Å; F224-A240 HydrophobicContact CD1-CB 4.32Å; F224-A240 HydrophobicContact CG-CB 4.47Å
225A72.3Confident72.5Confident13 Ų1366.4 Ų66.411%0.10735%0.354CS..G310 helixtrans-62.3-38.6174.200000112.8A223 F227 F228 Q233A223-A225 PolarHBondContact O-N 2.76Å; A223-A225 VanDerWaalsContact O-N 3.13Å; A225-F227 PolarHBondContact O-N 3.33Å; A225-F228 PolarHBondContact O-N 3.25Å; A225-Q233 HydrophobicContact CB-CB 4.28Å; A225-Q233 WeakPolarHBondContact O-CG 2.93Å
226T73.4Confident72.6Confident34 Ų3458.4 Ų58.421%0.20933%0.325CS..G310 helixtrans-71.7-4.4-174.7640000113.3K150 H221 A223 F224K150-T226 PolarHBondContact NZ-O 3.39Å; K150-T226 PolarHBondContact NZ-OG1 3.44Å; H221-T226 PolarHBondContact O-OG1 3.47Å; A223-T226 HydrophobicContact CB-CG2 4.4Å; A223-T226 PolarHBondContact O-N 3.16Å; A223-T226 PolarHBondContact O-OG1 2.9Å; F224-T226 PolarHBondContact O-N 2.93Å
227F72.9Confident72.4Confident0 Ų058.2 Ų58.20%032%0.323CS..G310 helixtrans-75.5-16.7168.9-66.7-89.5000112.5V147 K150 P170 M171 W202 F222 A223 F224 A225V147-F227 HydrophobicContact CB-CE1 4.35Å; V147-F227 HydrophobicContact CG1-CE1 4.08Å; V147-F227 HydrophobicContact CG1-CZ 3.86Å; V147-F227 HydrophobicContact CG2-CE1 3.99Å; V147-F227 HydrophobicContact CG2-CZ 4.44Å; K150-F227 HydrophobicContact CB-CE1 4.43Å; K150-F227 HydrophobicContact CD-CD1 3.46Å; K150-F227 VanDerWaalsContact CD-CD1 3.46Å; K150-F227 HydrophobicContact CD-CE1 3.17Å; K150-F227 HydrophobicContact CD-CE2 4.36Å; K150-F227 HydrophobicContact CD-CG 4.18Å; K150-F227 HydrophobicContact CD-CZ 3.67Å; K150-F227 HydrophobicContact CG-CE1 4.39Å; K150-F227 VanDerWaalsContact NZ-CD1 3.34Å; K150-F227 VanDerWaalsContact NZ-N 3.15Å; P170-F227 HydrophobicContact CB-CD1 4.2Å; P170-F227 HydrophobicContact CG-CD1 3.92Å; P170-F227 HydrophobicContact CG-CE1 4.13Å; M171-F227 WeakPolarHBondContact CB-O 3.42Å; M171-F227 HydrophobicContact CG-CB 3.66Å; M171-F227 WeakPolarHBondContact CG-O 3.21Å; W202-F227 AromaticContact CD1-CE2 3.61Å; W202-F227 AromaticContact CD1-CZ 3.97Å; F222-F227 HydrophobicContact CD2-CZ 4.42Å; F222-F227 AromaticContact CE2-CZ 3.93Å; F222-F227 HydrophobicContact CE2-CZ 3.93Å; F222-F227 HydrophobicContact CZ-CZ 4.4Å; A223-F227 WeakPolarHBondContact O-CD2 3.48Å; F224-F227 HydrophobicContact CD2-CD2 4.22Å; F224-F227 HydrophobicContact CD2-CE2 4.45Å; F224-F227 VanDerWaalsContact O-CD2 3.32Å; F224-F227 WeakPolarHBondContact O-CD2 3.32Å; F224-F227 PolarHBondContact O-N 3.09Å; A225-F227 PolarHBondContact O-N 3.33Å
228F73.6Confident72.1Confident35 Ų3562.3 Ų62.315%0.15434%0.344CS..SBendtrans-104.7154.1-178.1-67.9-104.6000111.4M171 F224 A225 L232 Q233 V236M171-F228 HydrophobicContact CE-CD1 4.05Å; M171-F228 HydrophobicContact CE-CE1 3.25Å; M171-F228 HydrophobicContact CE-CE2 3.85Å; M171-F228 HydrophobicContact CE-CZ 3.13Å; M171-F228 HydrophobicContact CG-CD2 4.24Å; M171-F228 HydrophobicContact CG-CE2 4.12Å; M171-F228 HydrophobicContact CG-CZ 4.32Å; M171-F228 HydrophobicContact SD-CD2 4.47Å; M171-F228 HydrophobicContact SD-CE1 4.26Å; M171-F228 HydrophobicContact SD-CE2 3.75Å; M171-F228 HydrophobicContact SD-CZ 3.65Å; F224-F228 HydrophobicContact CD1-CE2 4.3Å; F224-F228 AromaticContact CE1-CE2 3.74Å; F224-F228 HydrophobicContact CE1-CE2 3.74Å; F224-F228 HydrophobicContact CE1-CZ 4.32Å; F224-F228 HydrophobicContact CZ-CE2 4.14Å; A225-F228 PolarHBondContact O-N 3.25Å; F228-L232 HydrophobicContact CB-CB 4Å; F228-L232 HydrophobicContact CD1-CB 4.29Å; F228-L232 HydrophobicContact CD1-CD2 4.02Å; F228-Q233 PolarHBondContact O-NE2 2.87Å; F228-V236 HydrophobicContact CB-CG2 4.4Å; F228-V236 HydrophobicContact CD1-CG2 3.9Å; F228-V236 HydrophobicContact CD2-CB 4.15Å; F228-V236 HydrophobicContact CD2-CG1 3.64Å; F228-V236 HydrophobicContact CD2-CG2 3.8Å; F228-V236 HydrophobicContact CE1-CG2 3.98Å; F228-V236 HydrophobicContact CE2-CB 4.37Å; F228-V236 HydrophobicContact CE2-CG1 3.59Å; F228-V236 HydrophobicContact CE2-CG2 3.92Å; F228-V236 HydrophobicContact CG-CB 4.48Å; F228-V236 HydrophobicContact CG-CG1 4.43Å; F228-V236 HydrophobicContact CG-CG2 3.78Å; F228-V236 HydrophobicContact CZ-CG1 4.32Å; F228-V236 HydrophobicContact CZ-CG2 3.99Å
229P74.6Confident72.4Confident58 Ų5863.8 Ų63.838%0.37735%0.353SS..  trans-54.9150170.5-21.231.9000111.4I231 L232 Q233P229-I231 PolarHBondContact O-N 2.85Å; P229-L232 PolarHBondContact O-N 3.48Å; P229-Q233 PolarHBondContact O-N 3.38Å
230E73Confident72.3Confident123 Ų12362.9 Ų62.958%0.57535%0.346SS*.THydrogen-bonded Turntrans-49-31.9-173.4-73.8158.7-143.700114R165 L232 Q233R165-E230 IonicContact CZ-OE1 3.27Å; R165-E230 IonicContact NH1-OE1 3.08Å; R165-E230 PolarHBondContact NH1-OE1 2.84Å; R165-E230 IonicContact NH2-OE1 3.71Å; R165-E230 PolarHBondContact NH2-OE1 3.27Å; R165-E230 VanDerWaalsContact NH2-OE1 3.08Å; E230-L232 PolarHBondContact O-N 2.9Å; E230-Q233 PolarHBondContact O-N 3Å
231I72.9Confident72.4Confident147 Ų14761.7 Ų61.775%0.75434%0.34SS*.THydrogen-bonded Turntrans-66.5-35.4178.7-57.6149.5000112.6P229P229-I231 PolarHBondContact O-N 2.85Å
232L70.4Confident72.1Confident83 Ų8362 Ų6244%0.43534%0.344SS..THydrogen-bonded Turntrans-92.9-12.9-177.6-84.981.8000113.1F228 P229 E230 P234 V235 V236F228-L232 HydrophobicContact CB-CB 4Å; F228-L232 HydrophobicContact CD1-CB 4.29Å; F228-L232 HydrophobicContact CD1-CD2 4.02Å; P229-L232 PolarHBondContact O-N 3.48Å; E230-L232 PolarHBondContact O-N 2.9Å; L232-P234 VanDerWaalsContact C-CD 3.45Å; L232-V235 PolarHBondContact O-N 2.81Å; L232-V236 HydrophobicContact CB-CG2 4.48Å; L232-V236 WeakPolarHBondContact O-CG2 3.09Å; L232-V236 PolarHBondContact O-N 3.48Å
233Q76.9Confident71.8Confident60 Ų6064.7 Ų64.728%0.2836%0.361SS..Hα-helixtrans-53-42.5-178.7-66.9-173-5.400115.2A225 F228 P229 E230 V235 V236 G237A225-Q233 HydrophobicContact CB-CB 4.28Å; A225-Q233 WeakPolarHBondContact O-CG 2.93Å; F228-Q233 PolarHBondContact O-NE2 2.87Å; P229-Q233 PolarHBondContact O-N 3.38Å; E230-Q233 PolarHBondContact O-N 3Å; Q233-V235 PolarHBondContact O-N 2.67Å; Q233-V236 PolarHBondContact O-N 3.19Å; Q233-G237 WeakPolarHBondContact O-CA 3.21Å; Q233-G237 PolarHBondContact O-N 3.18Å
234P69.6Low71.4Confident95 Ų9566.2 Ų66.262%0.61736%0.362SS*.Hα-helixtrans-67.4-39-178.623.9-33.1000112.8L232 G237 L238L232-P234 VanDerWaalsContact C-CD 3.45Å; P234-G237 PolarHBondContact O-N 3.05Å; P234-L238 PolarHBondContact O-N 3.46Å
235V72.1Confident70.7Confident106 Ų10666.8 Ų66.864%0.64238%0.376SS*.Hα-helixtrans-67.4-45.4178.4-179.70000110.4L232 Q233 G237 L238 L239L232-V235 PolarHBondContact O-N 2.81Å; Q233-V235 PolarHBondContact O-N 2.67Å; V235-G237 VanDerWaalsContact C-N 3.33Å; V235-L238 WeakPolarHBondContact O-CB 3.16Å; V235-L238 PolarHBondContact O-N 3.31Å; V235-L239 PolarHBondContact O-N 3.11Å
236V74.6Confident70.2Confident13 Ų1371.3 Ų71.38%0.07940%0.398CS..Hα-helixtrans-69.8-33.8179177.80000111.2F224 F228 L232 Q233 L238 L239 A240F224-V236 HydrophobicContact CD1-CG1 3.43Å; F224-V236 VanDerWaalsContact CD1-CG1 3.43Å; F224-V236 HydrophobicContact CE1-CG1 3.8Å; F228-V236 HydrophobicContact CB-CG2 4.4Å; F228-V236 HydrophobicContact CD1-CG2 3.9Å; F228-V236 HydrophobicContact CD2-CB 4.15Å; F228-V236 HydrophobicContact CD2-CG1 3.64Å; F228-V236 HydrophobicContact CD2-CG2 3.8Å; F228-V236 HydrophobicContact CE1-CG2 3.98Å; F228-V236 HydrophobicContact CE2-CB 4.37Å; F228-V236 HydrophobicContact CE2-CG1 3.59Å; F228-V236 HydrophobicContact CE2-CG2 3.92Å; F228-V236 HydrophobicContact CG-CB 4.48Å; F228-V236 HydrophobicContact CG-CG1 4.43Å; F228-V236 HydrophobicContact CG-CG2 3.78Å; F228-V236 HydrophobicContact CZ-CG1 4.32Å; F228-V236 HydrophobicContact CZ-CG2 3.99Å; L232-V236 HydrophobicContact CB-CG2 4.48Å; L232-V236 WeakPolarHBondContact O-CG2 3.09Å; L232-V236 PolarHBondContact O-N 3.48Å; Q233-V236 PolarHBondContact O-N 3.19Å; V236-L238 VanDerWaalsContact C-N 3.33Å; V236-L238 PolarHBondContact O-N 3.47Å; V236-L239 PolarHBondContact O-N 3.29Å; V236-A240 VanDerWaalsContact O-CB 3.27Å; V236-A240 WeakPolarHBondContact O-CB 3.2Å; V236-A240 PolarHBondContact O-N 3.18Å
237G71.3Confident69.6Low16 Ų1671 Ų7117%0.16540%0.395CS..Hα-helixtrans-60.5-41.617500000112.1Q233 P234 V235 A240 N241Q233-G237 WeakPolarHBondContact O-CA 3.21Å; Q233-G237 PolarHBondContact O-N 3.18Å; P234-G237 PolarHBondContact O-N 3.05Å; V235-G237 VanDerWaalsContact C-N 3.33Å; G237-A240 PolarHBondContact O-N 2.99Å; G237-N241 WeakPolarHBondContact O-CB 2.86Å; G237-N241 PolarHBondContact O-N 3.36Å; G237-N241 PolarHBondContact O-ND2 3.11Å; G237-N241 VanDerWaalsContact O-ND2 3.17Å
238L68.8Low69.2Low119 Ų11972.7 Ų72.762%0.62341%0.405SS*.Hα-helixtrans-61.2-46.5172.6-168.981.8000111.3P234 V235 V236 A240 N241 L242P234-L238 PolarHBondContact O-N 3.46Å; V235-L238 WeakPolarHBondContact O-CB 3.16Å; V235-L238 PolarHBondContact O-N 3.31Å; V236-L238 VanDerWaalsContact C-N 3.33Å; V236-L238 PolarHBondContact O-N 3.47Å; L238-A240 PolarHBondContact O-N 2.7Å; L238-N241 PolarHBondContact O-N 2.87Å; L238-L242 WeakPolarHBondContact O-CG 2.77Å; L238-L242 PolarHBondContact O-N 2.73Å
239L70.4Confident68.5Low106 Ų10679.6 Ų79.656%0.55544%0.435SS*.Hα-helixtrans-64.6-41-179.9-146.376.3000111.9V235 V236 N241 L242 V243V235-L239 PolarHBondContact O-N 3.11Å; V236-L239 PolarHBondContact O-N 3.29Å; L239-N241 VanDerWaalsContact C-N 3.33Å; L239-N241 PolarHBondContact O-N 3.44Å; L239-L242 WeakPolarHBondContact O-CB 3.5Å; L239-L242 PolarHBondContact O-N 2.8Å; L239-V243 WeakPolarHBondContact O-CG2 3.34Å; L239-V243 PolarHBondContact O-N 3.05Å
240A68.6Low67.8Low12 Ų1281.1 Ų81.110%0.09944%0.443CS..Hα-helixtrans-63.6-40176.500000111.6F224 V236 G237 L238 V243 H244F224-A240 HydrophobicContact CB-CB 3.74Å; F224-A240 HydrophobicContact CD1-CB 4.32Å; F224-A240 HydrophobicContact CG-CB 4.47Å; V236-A240 VanDerWaalsContact O-CB 3.27Å; V236-A240 WeakPolarHBondContact O-CB 3.2Å; V236-A240 PolarHBondContact O-N 3.18Å; G237-A240 PolarHBondContact O-N 2.99Å; L238-A240 PolarHBondContact O-N 2.7Å; A240-V243 PolarHBondContact O-N 3.12Å; A240-H244 VanDerWaalsContact O-CB 3.29Å; A240-H244 WeakPolarHBondContact O-CB 3.05Å; A240-H244 PolarHBondContact O-N 3.5Å
241N69.7Low67.1Low113 Ų11384 Ų8460%0.60445%0.454SS*.Hα-helixtrans-67.7-35.5175-71.7-25.2000112.1G237 L238 L239 H244 G245G237-N241 WeakPolarHBondContact O-CB 2.86Å; G237-N241 PolarHBondContact O-N 3.36Å; G237-N241 PolarHBondContact O-ND2 3.11Å; G237-N241 VanDerWaalsContact O-ND2 3.17Å; L238-N241 PolarHBondContact O-N 2.87Å; L239-N241 VanDerWaalsContact C-N 3.33Å; L239-N241 PolarHBondContact O-N 3.44Å; N241-H244 PolarHBondContact O-N 3.42Å; N241-G245 PolarHBondContact O-N 3.37Å
242L65.9Low66.4Low111 Ų11181 Ų8158%0.58144%0.438SS*.Hα-helixtrans-65.5-46.8172.3-74.6168.4000111.7L238 L239 H244 G245 L246L238-L242 WeakPolarHBondContact O-CG 2.77Å; L238-L242 PolarHBondContact O-N 2.73Å; L239-L242 WeakPolarHBondContact O-CB 3.5Å; L239-L242 PolarHBondContact O-N 2.8Å; L242-H244 VanDerWaalsContact C-N 3.33Å; L242-H244 PolarHBondContact O-N 2.86Å; L242-G245 PolarHBondContact O-N 3.38Å; L242-L246 WeakPolarHBondContact O-CB 3.04Å; L242-L246 PolarHBondContact O-N 2.52Å
243V67.4Low65.5Low57 Ų5777.3 Ų77.335%0.34542%0.419SS..Hα-helixtrans-60.7-44.8175.4171.90000109.9L239 A240 G245 L246 L247L239-V243 WeakPolarHBondContact O-CG2 3.34Å; L239-V243 PolarHBondContact O-N 3.05Å; A240-V243 PolarHBondContact O-N 3.12Å; V243-G245 PolarHBondContact O-N 3.09Å; V243-L246 WeakPolarHBondContact O-CB 3.47Å; V243-L246 PolarHBondContact O-N 3.45Å; V243-L247 HydrophobicContact CG1-CD1 3.78Å; V243-L247 WeakPolarHBondContact O-CB 3.5Å; V243-L247 WeakPolarHBondContact O-CD1 3.45Å; V243-L247 PolarHBondContact O-N 2.76Å
244H65.8Low64.4Low61 Ų6182 Ų8228%0.28244%0.441SS..Hα-helixtrans-61.6-44.4175.6-176.221.6000111.8F207 A240 N241 L242 L246 L247 V248F207-H244 AromaticContact CE1-CE1 3.58Å; F207-H244 AromaticContact CE1-ND1 3.99Å; F207-H244 AromaticContact CZ-CE1 3.58Å; F207-H244 AromaticContact CZ-ND1 3.51Å; A240-H244 VanDerWaalsContact O-CB 3.29Å; A240-H244 WeakPolarHBondContact O-CB 3.05Å; A240-H244 PolarHBondContact O-N 3.5Å; N241-H244 PolarHBondContact O-N 3.42Å; L242-H244 VanDerWaalsContact C-N 3.33Å; L242-H244 PolarHBondContact O-N 2.86Å; H244-L246 VanDerWaalsContact C-N 3.32Å; H244-L246 PolarHBondContact O-N 3.44Å; H244-L247 PolarHBondContact O-N 3.27Å; H244-V248 WeakPolarHBondContact CE1-CG2 3.2Å; H244-V248 WeakPolarHBondContact ND1-CG2 3.41Å; H244-V248 WeakPolarHBondContact O-CB 3.46Å; H244-V248 VanDerWaalsContact O-CG2 3.25Å; H244-V248 WeakPolarHBondContact O-CG2 3.46Å; H244-V248 PolarHBondContact O-N 2.91Å
245G60.1Low63.3Low40 Ų4085.8 Ų85.841%0.41245%0.448SS..Hα-helixtrans-60-41.2175.300000112.3N241 L242 V243 K249N241-G245 PolarHBondContact O-N 3.37Å; L242-G245 PolarHBondContact O-N 3.38Å; V243-G245 PolarHBondContact O-N 3.09Å; G245-K249 VanDerWaalsContact O-CB 3.28Å; G245-K249 WeakPolarHBondContact O-CB 3.4Å; G245-K249 PolarHBondContact O-N 3.14Å
246L61.7Low62.3Low108 Ų10884.3 Ų84.357%0.56544%0.439SS*.Hα-helixtrans-64.6-48.1174.5-166.473.9000110.9L242 V243 H244 V248 K249 V250L242-L246 WeakPolarHBondContact O-CB 3.04Å; L242-L246 PolarHBondContact O-N 2.52Å; V243-L246 WeakPolarHBondContact O-CB 3.47Å; V243-L246 PolarHBondContact O-N 3.45Å; H244-L246 VanDerWaalsContact C-N 3.32Å; H244-L246 PolarHBondContact O-N 3.44Å; L246-V248 VanDerWaalsContact C-N 3.31Å; L246-V248 PolarHBondContact O-N 2.98Å; L246-K249 CarbonylContact O-C 3.59Å; L246-K249 WeakPolarHBondContact O-CB 3.47Å; L246-K249 PolarHBondContact O-N 3.22Å; L246-V250 VanDerWaalsContact O-CG2 3.32Å; L246-V250 WeakPolarHBondContact O-CG2 3.42Å; L246-V250 PolarHBondContact O-N 3.1Å
247L62.2Low61Low29 Ų2989.7 Ų89.715%0.15247%0.472CS..Hα-helixtrans-62.9-35.2178.8-95.369000113V203 V243 H244 K251 I252 C253V203-L247 HydrophobicContact CB-CD2 4.44Å; V203-L247 HydrophobicContact CG1-CD2 3.78Å; V203-L247 HydrophobicContact CG2-CD2 3.71Å; V243-L247 HydrophobicContact CG1-CD1 3.78Å; V243-L247 WeakPolarHBondContact O-CB 3.5Å; V243-L247 WeakPolarHBondContact O-CD1 3.45Å; V243-L247 PolarHBondContact O-N 2.76Å; H244-L247 PolarHBondContact O-N 3.27Å; L247-K251 PolarHBondContact O-N 3.5Å; L247-I252 PolarHBondContact O-N 3.02Å; L247-C253 PolarHBondContact O-N 3.36Å
248V63.6Low60Low34 Ų3495.8 Ų95.821%0.20649%0.494CS..Hα-helixtrans-69.3-38.8172.5170.80000110.7H244 L246 K251 C253 K255H244-V248 WeakPolarHBondContact CE1-CG2 3.2Å; H244-V248 WeakPolarHBondContact ND1-CG2 3.41Å; H244-V248 WeakPolarHBondContact O-CB 3.46Å; H244-V248 VanDerWaalsContact O-CG2 3.25Å; H244-V248 WeakPolarHBondContact O-CG2 3.46Å; H244-V248 PolarHBondContact O-N 2.91Å; L246-V248 VanDerWaalsContact C-N 3.31Å; L246-V248 PolarHBondContact O-N 2.98Å; V248-K251 PolarHBondContact O-N 2.76Å; V248-K251 VanDerWaalsContact O-N 3.11Å; V248-C253 HydrophobicContact CG2-CB 3.92Å; V248-K255 HydrophobicContact CG1-CG 3.91Å
249K58.7Low58.8Low180 Ų180101.6 Ų101.678%0.78351%0.507SS*.Hα-helixtrans-68.9-33.9178.4-163.9174.6-177.3178.90112.5G245 L246 K251G245-K249 VanDerWaalsContact O-CB 3.28Å; G245-K249 WeakPolarHBondContact O-CB 3.4Å; G245-K249 PolarHBondContact O-N 3.14Å; L246-K249 CarbonylContact O-C 3.59Å; L246-K249 WeakPolarHBondContact O-CB 3.47Å; L246-K249 PolarHBondContact O-N 3.22Å; K249-K251 PolarHBondContact O-N 3.49Å
250V61.2Low57.7Low90 Ų90102 Ų10255%0.54550%0.503SS..THydrogen-bonded Turntrans-77.62.5173.3-172.40000111.8L246 I252L246-V250 VanDerWaalsContact O-CG2 3.32Å; L246-V250 WeakPolarHBondContact O-CG2 3.42Å; L246-V250 PolarHBondContact O-N 3.1Å; V250-I252 HydrophobicContact CB-CD1 4.11Å; V250-I252 HydrophobicContact CB-CG1 4.25Å; V250-I252 HydrophobicContact CG1-CD1 3.54Å; V250-I252 HydrophobicContact CG1-CG1 3.84Å; V250-I252 PolarHBondContact O-N 3Å
251K57.2Low56.5Low185 Ų185108.2 Ų108.280%0.80453%0.534SS*.THydrogen-bonded Turntrans57.314.1-177.1-66.4-178.9173.8172.70114.6L247 V248 K249L247-K251 PolarHBondContact O-N 3.5Å; V248-K251 PolarHBondContact O-N 2.76Å; V248-K251 VanDerWaalsContact O-N 3.11Å; K249-K251 PolarHBondContact O-N 3.49Å
252I57.6Low55.6Low84 Ų84109.4 Ų109.443%0.43155%0.545SS..SBendtrans-68.7-43.4173.2-68.8171.6000107.8Y208 L247 V250Y208-I252 HydrophobicContact CE2-CG2 4.38Å; Y208-I252 WeakPolarHBondContact OH-CG2 3.39Å; Y208-I252 PolarHBondContact OH-O 3Å; L247-I252 PolarHBondContact O-N 3.02Å; V250-I252 HydrophobicContact CB-CD1 4.11Å; V250-I252 HydrophobicContact CB-CG1 4.25Å; V250-I252 HydrophobicContact CG1-CD1 3.54Å; V250-I252 HydrophobicContact CG1-CG1 3.84Å; V250-I252 PolarHBondContact O-N 3Å
253C53.3Low55Low5 Ų5107.5 Ų107.53%0.03455%0.552CS.*SBendtrans-91.4125.2171.8-65.10000111.5F207 L247 V248 K255F207-C253 HydrophobicContact CD1-CB 4.3Å; F207-C253 VanDerWaalsContact CD2-SG 3.5Å; F207-C253 HydrophobicContact CE1-CB 4.4Å; L247-C253 PolarHBondContact O-N 3.36Å; V248-C253 HydrophobicContact CG2-CB 3.92Å; C253-K255 PolarHBondContact O-N 3.2Å
254Q53Low54.1Low159 Ų159107.8 Ų107.874%0.74356%0.561SS**  trans-67.2131.5163.9-68.4-171.4-13.900108.8T256Q254-T256 PolarHBondContact O-N 2.87Å
255K46.8Very low53Low174 Ų174111.6 Ų111.676%0.75759%0.591SS**  trans-55.1115.4169-88.9-176.7176.5-179.90107.6V248 C253 V257V248-K255 HydrophobicContact CG1-CG 3.91Å; C253-K255 PolarHBondContact O-N 3.2Å; K255-V257 PolarHBondContact O-N 2.88Å
256T50.4Low52.4Low74 Ų74113 Ų11345%0.45459%0.594SS.*  trans-62.5109.9178.351.80000108.6M218 Q254 K258M218-T256 HydrophobicContact CE-CG2 3.9Å; M218-T256 HydrophobicContact CG-CG2 4.39Å; M218-T256 HydrophobicContact SD-CG2 4.06Å; Q254-T256 PolarHBondContact O-N 2.87Å; T256-K258 VanDerWaalsContact C-N 3.31Å; T256-K258 PolarHBondContact O-N 3.18Å
257V46.8Very low51.6Low127 Ų127113.8 Ų113.877%0.7761%0.609SS**  trans-6898.8162.2-179.70000105.1K255 R259K255-V257 PolarHBondContact O-N 2.88Å; V257-R259 VanDerWaalsContact C-N 3.32Å; V257-R259 PolarHBondContact O-N 3.02Å
258K50.2Low51Low143 Ų143117.2 Ų117.262%0.62263%0.626SS**  trans-58.8102.6167.5-72.3-172.3177.2-176.30106.1T256 Y260T256-K258 VanDerWaalsContact C-N 3.31Å; T256-K258 PolarHBondContact O-N 3.18Å; K258-Y260 HydrophobicContact CB-CD2 3.83Å; K258-Y260 HydrophobicContact CB-CE2 3.46Å; K258-Y260 VanDerWaalsContact CB-CE2 3.46Å; K258-Y260 HydrophobicContact CD-CE2 3.78Å; K258-Y260 WeakPolarHBondContact CD-OH 3.46Å; K258-Y260 HydrophobicContact CG-CE2 4.27Å; K258-Y260 WeakPolarHBondContact O-CD2 3.36Å; K258-Y260 PolarHBondContact O-N 3.34Å
259R45.6Very low50.4Low241 Ų241122.2 Ų122.291%0.90966%0.657SS**  trans-7191.7167.9-75.1-173.4-178.5175.3-0.3105.9V257 D261V257-R259 VanDerWaalsContact C-N 3.32Å; V257-R259 PolarHBondContact O-N 3.02Å; R259-D261 PolarHBondContact O-N 2.94Å
260Y47.2Very low50Low116 Ų116118.2 Ų118.246%0.45564%0.643SS.*  trans-69.9115163-74-86.2000106.2K258 V262 I270K258-Y260 HydrophobicContact CB-CD2 3.83Å; K258-Y260 HydrophobicContact CB-CE2 3.46Å; K258-Y260 VanDerWaalsContact CB-CE2 3.46Å; K258-Y260 HydrophobicContact CD-CE2 3.78Å; K258-Y260 WeakPolarHBondContact CD-OH 3.46Å; K258-Y260 HydrophobicContact CG-CE2 4.27Å; K258-Y260 WeakPolarHBondContact O-CD2 3.36Å; K258-Y260 PolarHBondContact O-N 3.34Å; Y260-V262 PolarHBondContact O-N 2.98Å; Y260-V262 VanDerWaalsContact O-N 3.1Å; Y260-I270 HydrophobicContact CD2-CD1 4.36Å
261D43.3Very low49.3Very low142 Ų142118.4 Ų118.476%0.75965%0.648SS**  trans-67.4107.2171.5-153.8-10.2000107R259 G263R259-D261 PolarHBondContact O-N 2.94Å; D261-G263 PolarHBondContact O-N 2.8Å
262V51Low49Very low137 Ų137114.9 Ų114.983%0.8364%0.638SS**THydrogen-bonded Turntrans-70.19.3-175.9-77.80000113.1Y260Y260-V262 PolarHBondContact O-N 2.98Å; Y260-V262 VanDerWaalsContact O-N 3.1Å
263G53.3Low48.3Very low72 Ų72117.4 Ų117.474%0.74266%0.66SS**THydrogen-bonded Turntrans-85.5-10.8177.100000115.4D261D261-G263 PolarHBondContact O-N 2.8Å
264A46.6Very low48.5Very low63 Ų63121.2 Ų121.252%0.52170%0.699SS.*SBendtrans-107.9137174.300000110.3S266A264-S266 PolarHBondContact O-N 3.48Å
265P44.6Very low48.7Very low140 Ų140116.7 Ų116.791%0.90968%0.683SS**  trans-76.572.5-176.933.3-34.1000110
266S45.9Very low49.1Very low70 Ų70113.6 Ų113.649%0.4968%0.675SS.*  trans-88.2125.9163.654.70000108.8A264 I268A264-S266 PolarHBondContact O-N 3.48Å; S266-I268 PolarHBondContact O-N 3.25Å
267S44.6Very low49.8Very low124 Ų124113.9 Ų113.987%0.86768%0.678SS**  trans-64.126.5-175.451.90000116T269S267-T269 PolarHBondContact O-N 2.99Å
268I50.6Low50.5Low101 Ų101115.2 Ų115.252%0.51868%0.675SS.*  trans-95.6101.6-178.8-56.5174.7000107.8S266 I270S266-I268 PolarHBondContact O-N 3.25Å; I268-I270 HydrophobicContact CG2-CG1 3.9Å; I268-I270 PolarHBondContact O-N 3.3Å
269T50.6Low51.3Low139 Ų139112 Ų11285%0.85367%0.665SS**  trans-67.990.3169.1350000109.6S267 S271S267-T269 PolarHBondContact O-N 2.99Å; T269-S271 PolarHBondContact O-N 3.1Å
270I51.4Low52.6Low97 Ų97102.3 Ų102.350%0.49764%0.637SS.*  trans-78.6102.5171.4-59.3176.8000107.9Y260 I268 L272Y260-I270 HydrophobicContact CD2-CD1 4.36Å; I268-I270 HydrophobicContact CG2-CG1 3.9Å; I268-I270 PolarHBondContact O-N 3.3Å; I270-L272 HydrophobicContact CG2-CD1 4.38Å; I270-L272 PolarHBondContact O-N 3.16Å
271S45.7Very low54Low93 Ų93101.5 Ų101.565%0.6564%0.637SS**  trans-72.4108.6165.543.10000109T269T269-S271 PolarHBondContact O-N 3.1Å
272L50.1Low55.7Low112 Ų112102.6 Ų102.659%0.58663%0.631SS**  trans-64.3129.1168-88.177.5000108.8I270 G274 T275I270-L272 HydrophobicContact CG2-CD1 4.38Å; I270-L272 PolarHBondContact O-N 3.16Å; L272-G274 PolarHBondContact O-N 2.78Å; L272-G274 VanDerWaalsContact O-N 3.16Å; L272-T275 PolarHBondContact O-N 3.35Å; L272-T275 PolarHBondContact O-OG1 3.25Å
273P44Very low56.9Low137 Ų137104.5 Ų104.589%0.8962%0.623SS**THydrogen-bonded Turntrans-62.9117.5171.7-15.228.2000109
274G56.9Low58.3Low84 Ų84108.9 Ų108.987%0.86662%0.617SS**THydrogen-bonded Turntrans109.3-3-179.200000115.6L272L272-G274 PolarHBondContact O-N 2.78Å; L272-G274 VanDerWaalsContact O-N 3.16Å
275T57.4Low60.1Low65 Ų65111.1 Ų111.140%0.39962%0.617SS.*SBendtrans-118.398.5160.743.60000107.6L272L272-T275 PolarHBondContact O-N 3.35Å; L272-T275 PolarHBondContact O-OG1 3.25Å
276D55.9Low62.1Low108 Ų108109.8 Ų109.858%0.57860%0.601SS**  trans-55.6133.8173.6-86.9-38000108.8Q278 D279 A280D276-Q278 PolarHBondContact O-N 3.2Å; D276-D279 PolarHBondContact O-N 3.35Å; D276-A280 PolarHBondContact O-N 3.47Å
277P63.2Low64Low80 Ų80109.3 Ų109.352%0.51960%0.602SS.*Hα-helixtrans-55-30.3179.821.4-32.1000111.4D279 A280 E281P277-D279 PolarHBondContact O-N 2.88Å; P277-A280 PolarHBondContact O-N 2.88Å; P277-E281 PolarHBondContact O-N 2.97Å
278Q62.2Low66Low155 Ų155108.5 Ų108.572%0.72459%0.587SS**Hα-helixtrans-64.5-36.4175.1-65.6179.7-1400113.4D276 E281 R282D276-Q278 PolarHBondContact O-N 3.2Å; Q278-E281 PolarHBondContact O-N 3.45Å; Q278-R282 VanDerWaalsContact O-CB 3.32Å; Q278-R282 WeakPolarHBondContact O-CB 3.32Å; Q278-R282 PolarHBondContact O-N 3.05Å
279D67.9Low67.7Low75 Ų75110.7 Ų110.740%0.40159%0.593SS.*Hα-helixtrans-75.3-33.9176.7-89.4-13.5000111.9D276 P277 R282 R283D276-D279 PolarHBondContact O-N 3.35Å; P277-D279 PolarHBondContact O-N 2.88Å; D279-R282 PolarHBondContact O-N 3.5Å; D279-R283 WeakPolarHBondContact O-CB 3.46Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.32Å; D279-R283 PolarHBondContact O-N 2.92Å
280A71.9Confident69.5Low38 Ų38106.4 Ų106.431%0.31457%0.572SS.*Hα-helixtrans-65-42.6170.800000111.2D276 P277 R283 R284D276-A280 PolarHBondContact O-N 3.47Å; P277-A280 PolarHBondContact O-N 2.88Å; A280-R283 PolarHBondContact O-N 3.45Å; A280-R284 WeakPolarHBondContact O-CB 3.5Å; A280-R284 WeakPolarHBondContact O-CG 3.41Å; A280-R284 PolarHBondContact O-N 2.9Å
281E77.2Confident71.1Confident99 Ų99106.7 Ų106.746%0.46357%0.574SS.*Hα-helixtrans-62-44.9173.7-131.392.2-119.900111.3P277 Q278 R283 R284 Q285P277-E281 PolarHBondContact O-N 2.97Å; Q278-E281 PolarHBondContact O-N 3.45Å; E281-R283 PolarHBondContact O-N 3.03Å; E281-R284 WeakPolarHBondContact O-CB 3.5Å; E281-R284 PolarHBondContact O-N 2.91Å; E281-R284 IonicContact OE1-NH1 3.99Å; E281-Q285 WeakPolarHBondContact O-CG 3.28Å; E281-Q285 PolarHBondContact O-N 3.24Å
282R78.2Confident73.1Confident166 Ų166107.2 Ų107.263%0.62657%0.569SS**Hα-helixtrans-61.6-43178.7-170.3179.9-178-173.32111.8Q278 D279 Q285 L286Q278-R282 VanDerWaalsContact O-CB 3.32Å; Q278-R282 WeakPolarHBondContact O-CB 3.32Å; Q278-R282 PolarHBondContact O-N 3.05Å; D279-R282 PolarHBondContact O-N 3.5Å; R282-Q285 PolarHBondContact O-N 2.98Å; R282-L286 PolarHBondContact O-N 3.45Å
283R77.3Confident74.9Confident176 Ų176106.9 Ų106.966%0.66457%0.565SS**Hα-helixtrans-66.2-39.8175.7-72.3175.5-172.1-174.64.4112D279 A280 E281 L286 A287D279-R283 WeakPolarHBondContact O-CB 3.46Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.32Å; D279-R283 PolarHBondContact O-N 2.92Å; A280-R283 PolarHBondContact O-N 3.45Å; E281-R283 PolarHBondContact O-N 3.03Å; R283-L286 PolarHBondContact O-N 3.42Å; R283-A287 WeakPolarHBondContact O-CB 3.47Å; R283-A287 PolarHBondContact O-N 3.41Å
284R81.9Confident76.6Confident164 Ų164109.3 Ų109.362%0.61956%0.556SS**Hα-helixtrans-61.6-44.5173.9-76.7175.3179.6161.2-0.5111.8A280 E281 A287 L288A280-R284 WeakPolarHBondContact O-CB 3.5Å; A280-R284 WeakPolarHBondContact O-CG 3.41Å; A280-R284 PolarHBondContact O-N 2.9Å; E281-R284 WeakPolarHBondContact O-CB 3.5Å; E281-R284 PolarHBondContact O-N 2.91Å; E281-R284 IonicContact OE1-NH1 3.99Å; R284-A287 PolarHBondContact O-N 3.41Å; R284-L288 WeakPolarHBondContact O-CG 3.37Å; R284-L288 PolarHBondContact O-N 2.97Å
285Q85.2Confident77.8Confident111 Ų111110.1 Ų110.152%0.51954%0.54SS..Hα-helixtrans-65.6-38.7178-71.2177.26.700112.6E281 R282 L288 K289E281-Q285 WeakPolarHBondContact O-CG 3.28Å; E281-Q285 PolarHBondContact O-N 3.24Å; R282-Q285 PolarHBondContact O-N 2.98Å; Q285-L288 PolarHBondContact O-N 2.87Å; Q285-K289 WeakPolarHBondContact O-CB 3.33Å; Q285-K289 WeakPolarHBondContact O-CG 3.41Å; Q285-K289 PolarHBondContact O-N 2.93Å
286L85.3Confident78.9Confident111 Ų111113 Ų11358%0.58155%0.547SS*.Hα-helixtrans-62.9-42.5172.9-99.7148.1000111.9R282 R283 K289 A290R282-L286 PolarHBondContact O-N 3.45Å; R283-L286 PolarHBondContact O-N 3.42Å; L286-K289 PolarHBondContact O-N 2.9Å; L286-A290 WeakPolarHBondContact O-CB 3.39Å; L286-A290 PolarHBondContact O-N 3.28Å
287A87.3Confident79.9Confident61 Ų61115.4 Ų115.450%0.50455%0.548SS..Hα-helixtrans-64-42.6176.100000112.1R283 R284 A290 L291R283-A287 WeakPolarHBondContact O-CB 3.47Å; R283-A287 PolarHBondContact O-N 3.41Å; R284-A287 PolarHBondContact O-N 3.41Å; A287-A290 PolarHBondContact O-N 2.88Å; A287-L291 WeakPolarHBondContact O-CB 3.41Å; A287-L291 PolarHBondContact O-N 3.43Å
288L85.6Confident80.5Confident106 Ų106116.1 Ų116.156%0.55555%0.55SS**Hα-helixtrans-64.2-39.5175.4-73.4172.3000112.2R284 Q285 L291 N292R284-L288 WeakPolarHBondContact O-CG 3.37Å; R284-L288 PolarHBondContact O-N 2.97Å; Q285-L288 PolarHBondContact O-N 2.87Å; L288-L291 PolarHBondContact O-N 3.37Å; L288-N292 WeakPolarHBondContact O-CB 3.37Å; L288-N292 PolarHBondContact O-N 3.35Å
289K87Confident80.9Confident147 Ų147114.4 Ų114.464%0.63954%0.542SS*.Hα-helixtrans-65-45174.6-75.6178.5-178.6-177.80111.8Q285 L286 L291 N292 E293Q285-K289 WeakPolarHBondContact O-CB 3.33Å; Q285-K289 WeakPolarHBondContact O-CG 3.41Å; Q285-K289 PolarHBondContact O-N 2.93Å; L286-K289 PolarHBondContact O-N 2.9Å; K289-L291 VanDerWaalsContact C-N 3.29Å; K289-L291 PolarHBondContact O-N 3.44Å; K289-N292 PolarHBondContact O-N 3.17Å; K289-E293 WeakPolarHBondContact O-CB 3.47Å; K289-E293 PolarHBondContact O-N 3.41Å
290A87.9Confident80.9Confident50 Ų50115.7 Ų115.741%0.41355%0.549SS..Hα-helixtrans-63.6-36.5176.600000112L286 A287 R294L286-A290 WeakPolarHBondContact O-CB 3.39Å; L286-A290 PolarHBondContact O-N 3.28Å; A287-A290 PolarHBondContact O-N 2.88Å; A290-R294 WeakPolarHBondContact O-CG 3.42Å; A290-R294 PolarHBondContact O-N 2.81Å; A290-R294 VanDerWaalsContact O-N 3.08Å
291L84.4Confident80.5Confident102 Ų102121.7 Ų121.753%0.53457%0.571SS.*Hα-helixtrans-66.9-47.7174.5-165.978.4000111.1A287 L288 K289 E293 R294 L295A287-L291 WeakPolarHBondContact O-CB 3.41Å; A287-L291 PolarHBondContact O-N 3.43Å; L288-L291 PolarHBondContact O-N 3.37Å; K289-L291 VanDerWaalsContact C-N 3.29Å; K289-L291 PolarHBondContact O-N 3.44Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-E293 PolarHBondContact O-N 3.08Å; L291-R294 PolarHBondContact O-N 2.87Å; L291-L295 WeakPolarHBondContact O-CB 3.47Å; L291-L295 PolarHBondContact O-N 3.32Å
292N87.6Confident79.5Confident104 Ų104120.2 Ų120.256%0.55657%0.572SS**Hα-helixtrans-63-35.8177.4-79.9-11.5000112.4L288 K289 L295 K296L288-N292 WeakPolarHBondContact O-CB 3.37Å; L288-N292 PolarHBondContact O-N 3.35Å; K289-N292 PolarHBondContact O-N 3.17Å; N292-L295 PolarHBondContact O-N 2.81Å; N292-K296 WeakPolarHBondContact O-CB 3.22Å; N292-K296 PolarHBondContact O-N 3.41Å
293E87.4Confident78.3Confident105 Ų105117.6 Ų117.649%0.49157%0.574SS.*Hα-helixtrans-65.8-41.8174.2-169.1-171.7159.900111.3K289 L291 K296 R297K289-E293 WeakPolarHBondContact O-CB 3.47Å; K289-E293 PolarHBondContact O-N 3.41Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-E293 PolarHBondContact O-N 3.08Å; E293-K296 PolarHBondContact O-N 2.84Å; E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.21Å; E293-R297 IonicContact OE1-CZ 3.46Å; E293-R297 IonicContact OE1-NE 3.48Å; E293-R297 PolarHBondContact OE1-NE 2.73Å; E293-R297 IonicContact OE1-NH2 2.73Å; E293-R297 PolarHBondContact OE1-NH2 3.48Å
294R80.6Confident77.2Confident189 Ų189120 Ų12071%0.71358%0.583SS**Hα-helixtrans-64.3-43.2173.7-75-176.7179.1-167.6-0.2111.8A290 L291 K296 R297 V298A290-R294 WeakPolarHBondContact O-CG 3.42Å; A290-R294 PolarHBondContact O-N 2.81Å; A290-R294 VanDerWaalsContact O-N 3.08Å; L291-R294 PolarHBondContact O-N 2.87Å; R294-K296 VanDerWaalsContact C-N 3.34Å; R294-R297 PolarHBondContact O-N 3.24Å; R294-V298 WeakPolarHBondContact O-CG2 3.37Å; R294-V298 PolarHBondContact O-N 2.83Å
295L81.5Confident75.6Confident100 Ų100117.8 Ų117.852%0.52459%0.59SS.*Hα-helixtrans-64.4-43179.6-147.8154.3000110.1L291 N292 V298 E299L291-L295 WeakPolarHBondContact O-CB 3.47Å; L291-L295 PolarHBondContact O-N 3.32Å; N292-L295 PolarHBondContact O-N 2.81Å; L295-V298 PolarHBondContact O-N 2.92Å; L295-E299 WeakPolarHBondContact O-CB 3.37Å; L295-E299 PolarHBondContact O-N 3.27Å
296K80.6Confident73.6Confident127 Ų127118.2 Ų118.255%0.55261%0.605SS**Hα-helixtrans-64.4-40.2172.9-170.9177.6178.7-177.70112.7N292 E293 R294 V298 E299 D300N292-K296 WeakPolarHBondContact O-CB 3.22Å; N292-K296 PolarHBondContact O-N 3.41Å; E293-K296 PolarHBondContact O-N 2.84Å; R294-K296 VanDerWaalsContact C-N 3.34Å; K296-V298 VanDerWaalsContact C-N 3.3Å; K296-V298 PolarHBondContact O-N 3.44Å; K296-E299 CarbonylContact O-C 3.43Å; K296-E299 PolarHBondContact O-N 2.96Å; K296-D300 WeakPolarHBondContact O-CB 3.46Å; K296-D300 PolarHBondContact O-N 3.49Å
297R76.6Confident71.4Confident158 Ų158121.4 Ų121.460%0.59662%0.619SS**Hα-helixtrans-63.4-36173.6-77.9-172.7-165.5-174.34.9112.5E293 R294 Q301E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.21Å; E293-R297 IonicContact OE1-CZ 3.46Å; E293-R297 IonicContact OE1-NE 3.48Å; E293-R297 PolarHBondContact OE1-NE 2.73Å; E293-R297 IonicContact OE1-NH2 2.73Å; E293-R297 PolarHBondContact OE1-NH2 3.48Å; R294-R297 PolarHBondContact O-N 3.24Å; R297-Q301 WeakPolarHBondContact O-CB 3.44Å; R297-Q301 WeakPolarHBondContact O-CG 3.35Å; R297-Q301 PolarHBondContact O-N 2.76Å
298V76.2Confident69Low94 Ų94124.9 Ų124.957%0.5763%0.629SS**Hα-helixtrans-70-38.6173.9172.20000110.5R294 L295 K296 Q301 S302R294-V298 WeakPolarHBondContact O-CG2 3.37Å; R294-V298 PolarHBondContact O-N 2.83Å; L295-V298 PolarHBondContact O-N 2.92Å; K296-V298 VanDerWaalsContact C-N 3.3Å; K296-V298 PolarHBondContact O-N 3.44Å; V298-Q301 CarbonylContact O-C 3.59Å; V298-Q301 PolarHBondContact O-N 3.34Å; V298-S302 WeakPolarHBondContact O-CB 3.42Å; V298-S302 PolarHBondContact O-N 3.5Å; V298-S302 PolarHBondContact O-OG 3.4Å
299E72.2Confident66.7Low119 Ų119126 Ų12656%0.55664%0.636SS**Hα-helixtrans-65.1-45.4174.9-162.3170.9-168.600111.5L295 K296 Q301 S302 V303L295-E299 WeakPolarHBondContact O-CB 3.37Å; L295-E299 PolarHBondContact O-N 3.27Å; K296-E299 CarbonylContact O-C 3.43Å; K296-E299 PolarHBondContact O-N 2.96Å; E299-Q301 VanDerWaalsContact C-N 3.3Å; E299-Q301 PolarHBondContact O-N 2.66Å; E299-S302 WeakPolarHBondContact CA-OG 3.37Å; E299-S302 WeakPolarHBondContact O-CA 3.5Å; E299-S302 WeakPolarHBondContact O-CB 3.46Å; E299-S302 PolarHBondContact O-N 2.96Å; E299-S302 PolarHBondContact O-OG 3.33Å; E299-V303 PolarHBondContact O-N 3.02Å
300D67.6Low64.3Low102 Ų102125.1 Ų125.155%0.54564%0.638SS.*Hα-helixtrans-64-32.4174-72.6-23.1000111.7K296 S302K296-D300 WeakPolarHBondContact O-CB 3.46Å; K296-D300 PolarHBondContact O-N 3.49Å; D300-S302 VanDerWaalsContact C-N 3.33Å
301Q62.9Low61.7Low164 Ų164130.7 Ų130.777%0.76666%0.656SS**Hα-helixtrans-75.1-19.3170.4-83.8-177.4-6.100113.6R297 V298 E299R297-Q301 WeakPolarHBondContact O-CB 3.44Å; R297-Q301 WeakPolarHBondContact O-CG 3.35Å; R297-Q301 PolarHBondContact O-N 2.76Å; V298-Q301 CarbonylContact O-C 3.59Å; V298-Q301 PolarHBondContact O-N 3.34Å; E299-Q301 VanDerWaalsContact C-N 3.3Å; E299-Q301 PolarHBondContact O-N 2.66Å
302S57.2Low59.4Low69 Ų69134.3 Ų134.348%0.48367%0.67SS.*THydrogen-bonded Turntrans-87.7-3.3178.172.20000113.8V298 E299 D300 W304V298-S302 WeakPolarHBondContact O-CB 3.42Å; V298-S302 PolarHBondContact O-N 3.5Å; V298-S302 PolarHBondContact O-OG 3.4Å; E299-S302 WeakPolarHBondContact CA-OG 3.37Å; E299-S302 WeakPolarHBondContact O-CA 3.5Å; E299-S302 WeakPolarHBondContact O-CB 3.46Å; E299-S302 PolarHBondContact O-N 2.96Å; E299-S302 PolarHBondContact O-OG 3.33Å; D300-S302 VanDerWaalsContact C-N 3.33Å; S302-W304 VanDerWaalsContact C-N 3.27Å; S302-W304 PolarHBondContact O-N 2.94Å
303V52.5Low56.8Low110 Ų110138.2 Ų138.267%0.66769%0.685SS**SBendtrans-77.782.6165-177.70000108E299E299-V303 PolarHBondContact O-N 3.02Å
304W53Low54.1Low227 Ų227139 Ų13986%0.8670%0.701SS**PPolyproline II helixtrans-57.2127.6171.9-79.681.6000110.2S302 S306S302-W304 VanDerWaalsContact C-N 3.27Å; S302-W304 PolarHBondContact O-N 2.94Å; W304-S306 PolarHBondContact O-N 3.17Å
305P49.5Very low51.6Low117 Ų117133.3 Ų133.376%0.7670%0.702SS**PPolyproline II helixtrans-65116.1174.4-17.830.5000110.1M307P305-M307 PolarHBondContact O-N 3.43Å
306S43.3Very low49.2Very low121 Ų121133.2 Ų133.285%0.84672%0.716SS**PPolyproline II helixtrans-71.611716254.90000108.1W304W304-S306 PolarHBondContact O-N 3.17Å
307M38.4Very low46.7Very low178 Ų178136.1 Ų136.188%0.87773%0.728SS**  trans-131.6107.2170.6-161.7166.4148.300107.8P305P305-M307 PolarHBondContact O-N 3.43Å
308D36.9Very low44.6Very low133 Ų133133.9 Ų133.971%0.71173%0.732SS**  trans-64.1152.4163.7-69.5-55.4000110.6
309D37.1Very low42.4Very low131 Ų131136.3 Ų136.370%0.70174%0.742SS**  trans81113.7152.7-59-18.8000121.8
310D37Very low40.6Very low128 Ų128135.9 Ų135.968%0.68475%0.752SS**  86.4112.6126.5-59.9-24000122.8
311E33.3Very low39.1Very low166 Ų166137.2 Ų137.278%0.77677%0.766SS**  75.9128.5126.1-67.4-172.3167.900122.7
312E36.7Very low37.6Very low179 Ų179137.1 Ų137.184%0.83677%0.77SS**  trans81.897.7146.8-68.3-169.5176.700122.7
313E32.2Very low37Very low186 Ų186138.8 Ų138.887%0.86978%0.779SS**  21.4142.9122.1-134.5176-169.700123.8
314S30.8Very low35.9Very low120 Ų120138.8 Ų138.884%0.83978%0.784SS**  trans83.8137.6159.685.60000116.9
315G27.7Very low34.7Very low70 Ų70134.6 Ų134.672%0.72278%0.779SS**  cis134.9133.41000000110.1
316A30.8Very low33.7Very low99 Ų99138.2 Ų138.282%0.81878%0.782SS**  trans82.5144.7163.200000118.2
317K29.9Very low33.2Very low187 Ų187137 Ų13781%0.81378%0.779SS**  cis-175.71668.8-125.8179.4176.1175.50111.3
318V31.7Very low33.2Very low111 Ų111133.9 Ų133.967%0.67377%0.773SS**  trans75.3139.3140164.70000118.8
319D30.7Very low32.9Very low145 Ų145133.7 Ų133.778%0.77578%0.777SS**  cis-164160.1-11.1-103.6-25000109.4
320S33.6Very low33.3Very low110 Ų110132.9 Ų132.977%0.76978%0.778SS**  trans-77.8164.8165.1-52.70000111.3
321P36.8Very low33.5Very low130 Ų130132.8 Ų132.884%0.84479%0.785SS**  -153.8167.479.732.8-8.8000117.6
322L30.5Very low33.2Very low162 Ų162128.5 Ų128.585%0.84879%0.785SS**  trans-55-179.7169.9-110.776.6000114.9
323P44.9Very low32.9Very low104 Ų104130.6 Ų130.668%0.67579%0.791SS**  cis-145.2-175.6-10.332-7.7000117.6
324S28.2Very low32.8Very low110 Ų110125.7 Ų125.777%0.76979%0.791SS**  trans89.2128.6142.7-77.70000124.7
325D28.5Very low32.8Very low139 Ų139125.2 Ų125.274%0.74380%0.795SS**  trans78126.7140-92.3-14.1000125.6
326K28.4Very low33.1Very low193 Ų193126.4 Ų126.484%0.83980%0.797SS**  trans81.2137.1146.1-73.7176.5179.1171.80123
327A33.3Very low33.4Very low95 Ų95127.1 Ų127.179%0.78579%0.794SS**  trans-63.7175.6-177.800000115
328P38.1Very low33.4Very low113 Ų113127.1 Ų127.173%0.73480%0.797SS**  cis-150.1163.437.442.6-20.1000121
329T31Very low33.4Very low130 Ų130127.3 Ų127.380%0.79880%0.803SS**  trans29.6167.7146.251.40000125.2
330P44.3Very low33.6Very low113 Ų113126.2 Ų126.273%0.73481%0.807SS**  cis-137.9-149.3-33.240-18.9000112.1
331P41.8Very low33.5Very low127 Ų127128.5 Ų128.583%0.82581%0.809SS**  cis-123170.1-47.329.5-10.2000114.6
332G28.4Very low33.5Very low76 Ų76129.6 Ų129.678%0.78481%0.806SS**  trans163.283.2154.900000120.4
333K29.3Very low33.5Very low222 Ų222128 Ų12897%0.96580%0.803SS**  trans41.7127.1145.1-89.8175.8174174.70122.5
334G30Very low32.9Very low84 Ų84133 Ų13387%0.86682%0.815SS**  trans151.780.3142.100000115.4
335A31.3Very low33.2Very low110 Ų110137.1 Ų137.191%0.90982%0.822SS**  trans-82.2135.5176.100000112.4
336A33.6Very low33.5Very low94 Ų94135 Ų13578%0.77782%0.824SS**  trans-113.3154.9158.500000108.7
337P36.7Very low34.2Very low114 Ų114130.5 Ų130.574%0.7482%0.822SS**  trans-142.5165.9135.438.5-25.4000110.5
338E31.2Very low34.7Very low188 Ų188131.7 Ų131.788%0.87982%0.823SS**  cis-165.7145.7-19.2-107.7-177.9126.800103.4
339S31.3Very low34.6Very low115 Ų115131.9 Ų131.980%0.80483%0.827SS**  trans-80.8132.417548.60000110.9
340S33.7Very low34.9Very low122 Ų122131.8 Ų131.885%0.85383%0.826SS**  trans-103.6112.5165.2340000110.4
341L32.9Very low34.5Very low157 Ų157138.3 Ų138.382%0.82285%0.853SS**PPolyproline II helixtrans-91.6128.4171.7-127.5146000107
342I37.1Very low34.1Very low153 Ų153138.9 Ų138.979%0.78586%0.855SS**PPolyproline II helixtrans-91.2121.8178.9-63.8173.2000109
343T29.4Very low34.4Very low128 Ų128142.2 Ų142.279%0.78586%0.859SS**PPolyproline II helixtrans-84.4140.6174.3-61.10000110.7
344F31.7Very low34.7Very low210 Ų210137.8 Ų137.892%0.92185%0.853SS**PPolyproline II helixtrans-81127.2173.3-77.8-95.9000110.8
345E35.2Very low34.9Very low197 Ų197140.9 Ų140.992%0.92185%0.852SS**  trans-108.6127173.2-164168.7150.100110
346A34.5Very low35.2Very low94 Ų94142.9 Ų142.978%0.77785%0.848SS**PPolyproline II helixtrans-86.9139.6178.800000110.9
347A44.3Very low35.3Very low98 Ų98146.1 Ų146.181%0.8185%0.853SS**PPolyproline II helixtrans-77.2145.2177.700000112.5
348P43Very low35.2Very low121 Ų121148.4 Ų148.479%0.78686%0.861SS**PPolyproline II helixtrans-89.8143.7169.734-29.4000112
349S36.5Very low35.5Very low117 Ų117145.4 Ų145.482%0.81886%0.86SS**PPolyproline II helixtrans-75.4136.2168.342.10000111.2
350T36.8Very low35.8Very low128 Ų128147.9 Ų147.979%0.78586%0.864SS**  trans-139124.2160.238.80000111.1
351L35Very low36Very low250 Ų250150.3 Ų150.3100%1.30987%0.865SS**  trans63.60152.9-64.5167.1000120.2

Retrieved 351 of 351 residues in 1984.4 ms (Link to these results)

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