A0A096N224_PAPAN Loading...

Mitochondrial chaperone BCS1

Chaperone necessary for the incorporation of Rieske iron-sulfur protein UQCRFS1 into the mitochondrial respiratory chain complex III. Plays an important role in the maintenance of mitochondrial tubular networks, respiratory chain assembly and formation of the LETM1 complex.

AlphaFold DB (G7N8X6), UniProt , Accession A0A096N224, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 419 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M54.7Low61.9Low209 Ų209105.9 Ų105.9100%1.0356%0.563SS**  0125.60-72.1-176.8168.700107.8
2P70.3Confident62.1Low72 Ų72108.9 Ų108.947%0.46858%0.58SS.*  trans-64.3146.5175.229.4-33.4000109.4S4 D5P2-S4 WeakPolarHBondContact CB-OG 3.45Å; P2-S4 WeakPolarHBondContact CG-OG 3.4Å; P2-S4 PolarHBondContact O-N 3.13Å; P2-D5 VanDerWaalsContact CD-OD2 3.28Å; P2-D5 WeakPolarHBondContact CD-OD2 3.35Å; P2-D5 HydrophobicContact CG-CB 4.25Å; P2-D5 WeakPolarHBondContact CG-OD2 3.33Å; P2-D5 PolarHBondContact O-N 3Å
3L59.4Low62.4Low143 Ų143105.2 Ų105.275%0.74956%0.56SS**Hα-helixtrans-53.9-26.2-179.2-125.4117000112.3I7L3-I7 HydrophobicContact CD2-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CD1 3.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.18Å; L3-I7 PolarHBondContact O-N 3.45Å; L3-I7 VanDerWaalsContact O-N 3.17Å
4S65.8Low62.6Low64 Ų64105.6 Ų105.645%0.44857%0.571SS.*Hα-helixtrans-58.8-41.9174.254.40000113.3P2 I7 L8P2-S4 WeakPolarHBondContact CB-OG 3.45Å; P2-S4 WeakPolarHBondContact CG-OG 3.4Å; P2-S4 PolarHBondContact O-N 3.13Å; S4-I7 PolarHBondContact O-N 3.25Å; S4-L8 WeakPolarHBondContact O-CD1 3.43Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.43Å
5D62.3Low62.5Low83 Ų83112.1 Ų112.144%0.44459%0.586SS.*Hα-helixtrans-78.4-30.5-173.3-65-5000111.1P2 A9P2-D5 VanDerWaalsContact CD-OD2 3.28Å; P2-D5 WeakPolarHBondContact CD-OD2 3.35Å; P2-D5 HydrophobicContact CG-CB 4.25Å; P2-D5 WeakPolarHBondContact CG-OD2 3.33Å; P2-D5 PolarHBondContact O-N 3Å; D5-A9 PolarHBondContact O-N 3.35Å; D5-A9 VanDerWaalsContact O-N 3.1Å
6F63Low62.5Low135 Ų135112.1 Ų112.159%0.59258%0.581SS**Hα-helixtrans-71.1-38.2174-159.3-101.2000111.7L10F6-L10 HydrophobicContact CD1-CD1 3.54Å; F6-L10 HydrophobicContact CE1-CD1 3.36Å; F6-L10 HydrophobicContact CG-CD1 4.43Å; F6-L10 HydrophobicContact CZ-CD1 4.13Å; F6-L10 WeakPolarHBondContact O-CD1 3.48Å; F6-L10 PolarHBondContact O-N 3.03Å
7I62.4Low62.6Low85 Ų85107.7 Ų107.744%0.43657%0.569SS.*Hα-helixtrans-67.7-37.6175.2-69.5167.7000111.1L3 S4 K11L3-I7 HydrophobicContact CD2-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CD1 3.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.18Å; L3-I7 PolarHBondContact O-N 3.45Å; L3-I7 VanDerWaalsContact O-N 3.17Å; S4-I7 PolarHBondContact O-N 3.25Å; I7-K11 WeakPolarHBondContact O-CB 3.07Å; I7-K11 PolarHBondContact O-N 3.04Å
8L63.5Low62.8Low104 Ų104105.3 Ų105.355%0.54557%0.567SS.*Hα-helixtrans-66-45.1176.2-83.4158.4000112.1S4 L10 K11S4-L8 WeakPolarHBondContact O-CD1 3.43Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.43Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.9Å; L8-K11 WeakPolarHBondContact O-CB 3.32Å; L8-K11 PolarHBondContact O-N 2.68Å
9A62.4Low63.3Low72 Ų72101.7 Ų101.760%0.59556%0.557SS**Hα-helixtrans-66.6-28.6179.300000114.1D5D5-A9 PolarHBondContact O-N 3.35Å; D5-A9 VanDerWaalsContact O-N 3.1Å
10L57.2Low63.9Low36 Ų36101.8 Ų101.819%0.18855%0.552CS.*Hα-helixtrans-83-19176.8-82.2158.6000113.6F6 L8 F16 F20F6-L10 HydrophobicContact CD1-CD1 3.54Å; F6-L10 HydrophobicContact CE1-CD1 3.36Å; F6-L10 HydrophobicContact CG-CD1 4.43Å; F6-L10 HydrophobicContact CZ-CD1 4.13Å; F6-L10 WeakPolarHBondContact O-CD1 3.48Å; F6-L10 PolarHBondContact O-N 3.03Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.9Å; L10-F16 HydrophobicContact CD2-CB 4.07Å; L10-F16 HydrophobicContact CD2-CD1 3.88Å; L10-F16 HydrophobicContact CD2-CD2 4.49Å; L10-F16 HydrophobicContact CD2-CE1 4.46Å; L10-F16 HydrophobicContact CD2-CG 3.89Å; L10-F20 HydrophobicContact CB-CE2 3.8Å; L10-F20 HydrophobicContact CB-CZ 4.38Å; L10-F20 HydrophobicContact CD1-CE2 3.92Å; L10-F20 HydrophobicContact CD1-CZ 3.99Å; L10-F20 HydrophobicContact CD2-CE2 4.44Å; L10-F20 HydrophobicContact CG-CE2 4.27Å
11K60Low64.5Low162 Ų16298.9 Ų98.970%0.70455%0.545SS*.Hα-helixtrans-73.4-27.5179.4-169.1177.4176.6-173.70112.7I7 L8 N13I7-K11 WeakPolarHBondContact O-CB 3.07Å; I7-K11 PolarHBondContact O-N 3.04Å; L8-K11 WeakPolarHBondContact O-CB 3.32Å; L8-K11 PolarHBondContact O-N 2.68Å; K11-N13 VanDerWaalsContact C-N 3.28Å; K11-N13 PolarHBondContact O-N 3.39Å
12D64Low65.9Low142 Ų14295.1 Ų95.176%0.75953%0.529SS*.THydrogen-bonded Turntrans-80.4-3.8179.2-71.5-23.6000113.6
13N66.6Low66.6Low60 Ų6096.1 Ų96.132%0.32153%0.533SS..  trans-101.8111.8176.8-167.3-35.5000111.6K11 Y15 F16 G17K11-N13 VanDerWaalsContact C-N 3.28Å; K11-N13 PolarHBondContact O-N 3.39Å; N13-Y15 PolarHBondContact O-N 3.25Å; N13-Y15 VanDerWaalsContact O-N 3.12Å; N13-Y15 PolarHBondContact OD1-N 3.42Å; N13-Y15 VanDerWaalsContact OD1-N 3.13Å; N13-F16 HydrophobicContact CB-CB 4.33Å; N13-F16 HydrophobicContact CB-CD2 4Å; N13-F16 PolarHBondContact O-N 2.72Å; N13-G17 PolarHBondContact O-N 2.79Å; N13-G17 VanDerWaalsContact O-N 3.1Å
14P64.4Low67.9Low111 Ų11191.3 Ų91.372%0.72152%0.518SS*.Hα-helixtrans-62.2-23.6-174.622.7-32000113.9
15Y62.1Low69.1Low203 Ų20392.4 Ų92.480%0.79652%0.522SS*.Hα-helixtrans-79-29175.9-69.3-77.4000113.2N13N13-Y15 PolarHBondContact O-N 3.25Å; N13-Y15 VanDerWaalsContact O-N 3.12Å; N13-Y15 PolarHBondContact OD1-N 3.42Å; N13-Y15 VanDerWaalsContact OD1-N 3.13Å
16F61.8Low70.4Confident113 Ų11390.2 Ų90.250%0.49652%0.519SS..Hα-helixtrans-89-24.4179-75.5-87.9000113L10 N13 A18 G19 F20L10-F16 HydrophobicContact CD2-CB 4.07Å; L10-F16 HydrophobicContact CD2-CD1 3.88Å; L10-F16 HydrophobicContact CD2-CD2 4.49Å; L10-F16 HydrophobicContact CD2-CE1 4.46Å; L10-F16 HydrophobicContact CD2-CG 3.89Å; N13-F16 HydrophobicContact CB-CB 4.33Å; N13-F16 HydrophobicContact CB-CD2 4Å; N13-F16 PolarHBondContact O-N 2.72Å; F16-A18 VanDerWaalsContact C-N 3.26Å; F16-A18 PolarHBondContact O-N 2.8Å; F16-G19 PolarHBondContact O-N 2.84Å; F16-G19 VanDerWaalsContact O-N 3.08Å; F16-F20 PolarHBondContact O-N 2.94Å; F16-F20 VanDerWaalsContact O-N 3.14Å
17G64.1Low71.8Confident37 Ų3787.4 Ų87.438%0.38151%0.513SS..Hα-helixtrans-58.1-35.217400000113.7N13 G21N13-G17 PolarHBondContact O-N 2.79Å; N13-G17 VanDerWaalsContact O-N 3.1Å; G17-G21 PolarHBondContact O-N 3.43Å
18A65.8Low73.2Confident64 Ų6486.1 Ų86.153%0.52952%0.515SS..Hα-helixtrans-66.4-36.8174.500000112.8F16 G21 L22F16-A18 VanDerWaalsContact C-N 3.26Å; F16-A18 PolarHBondContact O-N 2.8Å; A18-G21 PolarHBondContact O-N 3.02Å; A18-L22 WeakPolarHBondContact O-CG 3.43Å; A18-L22 PolarHBondContact O-N 3.25Å
19G72.8Confident74.7Confident37 Ų3786.7 Ų86.738%0.38152%0.518SS..Hα-helixtrans-67.2-43.3176.100000112.8F16 G21 L22 V23F16-G19 PolarHBondContact O-N 2.84Å; F16-G19 VanDerWaalsContact O-N 3.08Å; G19-G21 VanDerWaalsContact C-N 3.35Å; G19-L22 PolarHBondContact O-N 2.93Å; G19-V23 WeakPolarHBondContact O-CG2 3.4Å; G19-V23 PolarHBondContact O-N 2.91Å
20F75.5Confident76.1Confident104 Ų10485.9 Ų85.946%0.45651%0.511SS..Hα-helixtrans-65.7-36.1173.1-85.4-83.3000112.7L10 F16 V23 G24L10-F20 HydrophobicContact CB-CE2 3.8Å; L10-F20 HydrophobicContact CB-CZ 4.38Å; L10-F20 HydrophobicContact CD1-CE2 3.92Å; L10-F20 HydrophobicContact CD1-CZ 3.99Å; L10-F20 HydrophobicContact CD2-CE2 4.44Å; L10-F20 HydrophobicContact CG-CE2 4.27Å; F16-F20 PolarHBondContact O-N 2.94Å; F16-F20 VanDerWaalsContact O-N 3.14Å; F20-V23 PolarHBondContact O-N 3.09Å; F20-G24 PolarHBondContact O-N 3.2Å
21G77.3Confident77.9Confident40 Ų4089.7 Ų89.741%0.41253%0.531SS..Hα-helixtrans-59.4-45.4172.500000112.3G17 A18 G19 G24 V25G17-G21 PolarHBondContact O-N 3.43Å; A18-G21 PolarHBondContact O-N 3.02Å; G19-G21 VanDerWaalsContact C-N 3.35Å; G21-G24 PolarHBondContact O-N 2.86Å; G21-V25 WeakPolarHBondContact O-CB 3.44Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 2.91Å
22L82.6Confident79.5Confident131 Ų13185 Ų8569%0.68652%0.522SS*.Hα-helixtrans-64.7-40.8176.1-73.9169.4000112.7A18 G19 G26A18-L22 WeakPolarHBondContact O-CG 3.43Å; A18-L22 PolarHBondContact O-N 3.25Å; G19-L22 PolarHBondContact O-N 2.93Å; L22-G26 PolarHBondContact O-N 3.01Å
23V85.8Confident81Confident93 Ų9386.8 Ų86.856%0.56452%0.518SS*.Hα-helixtrans-65-41.2175172.70000111.1G19 F20 G26 T27G19-V23 WeakPolarHBondContact O-CG2 3.4Å; G19-V23 PolarHBondContact O-N 2.91Å; F20-V23 PolarHBondContact O-N 3.09Å; V23-G26 PolarHBondContact O-N 2.89Å; V23-T27 WeakPolarHBondContact O-CB 3.47Å; V23-T27 PolarHBondContact O-N 3.32Å; V23-T27 PolarHBondContact O-OG1 3.32Å
24G87.3Confident82.2Confident41 Ų4190.6 Ų90.642%0.42353%0.532SS..Hα-helixtrans-62.5-48175.700000112.4F20 G21 T27 A28F20-G24 PolarHBondContact O-N 3.2Å; G21-G24 PolarHBondContact O-N 2.86Å; G24-T27 PolarHBondContact O-N 3.26Å; G24-A28 WeakPolarHBondContact O-CB 3.26Å; G24-A28 PolarHBondContact O-N 3.3Å
25V89.8Confident83.7Confident88 Ų8887.2 Ų87.253%0.53352%0.518SS..Hα-helixtrans-63-43.1175.6172.50000111G21 T27 A28 L29G21-V25 WeakPolarHBondContact O-CB 3.44Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 2.91Å; V25-T27 PolarHBondContact O-N 2.91Å; V25-A28 PolarHBondContact O-N 2.81Å; V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.38Å; V25-L29 WeakPolarHBondContact O-CB 3.46Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.21Å
26G90.6Very high85.1Confident37 Ų3780.3 Ų80.338%0.38150%0.503SS..Hα-helixtrans-61.6-41.9176.500000112.6L22 V23 L29 A30L22-G26 PolarHBondContact O-N 3.01Å; V23-G26 PolarHBondContact O-N 2.89Å; G26-L29 PolarHBondContact O-N 3.12Å; G26-A30 WeakPolarHBondContact O-CB 3.41Å; G26-A30 PolarHBondContact O-N 3.15Å
27T91.9Very high86.6Confident75 Ų7579.9 Ų79.946%0.4650%0.502SS..Hα-helixtrans-66.9-43.5176.8-53.90000111V23 G24 V25 A30 L31V23-T27 WeakPolarHBondContact O-CB 3.47Å; V23-T27 PolarHBondContact O-N 3.32Å; V23-T27 PolarHBondContact O-OG1 3.32Å; G24-T27 PolarHBondContact O-N 3.26Å; V25-T27 PolarHBondContact O-N 2.91Å; T27-A30 PolarHBondContact O-N 3.13Å; T27-L31 HydrophobicContact CG2-CD1 4.22Å; T27-L31 WeakPolarHBondContact O-CB 3.33Å; T27-L31 WeakPolarHBondContact O-CG 3.44Å; T27-L31 PolarHBondContact O-N 3.05Å
28A92.1Very high87.9Confident58 Ų5884 Ų8448%0.47952%0.515SS..Hα-helixtrans-62.4-44.1176.400000112G24 V25 A30 L31 A32G24-A28 WeakPolarHBondContact O-CB 3.26Å; G24-A28 PolarHBondContact O-N 3.3Å; V25-A28 PolarHBondContact O-N 2.81Å; A28-A30 PolarHBondContact O-N 3.45Å; A28-L31 PolarHBondContact O-N 3.15Å; A28-A32 WeakPolarHBondContact O-CB 3.42Å; A28-A32 PolarHBondContact O-N 3.06Å
29L94Very high89.1Confident117 Ų11783 Ų8361%0.61351%0.511SS*.Hα-helixtrans-63.4-40.1175.2-74.6171000112V25 G26 A32 R33V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.38Å; V25-L29 WeakPolarHBondContact O-CB 3.46Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.21Å; G26-L29 PolarHBondContact O-N 3.12Å; L29-A32 PolarHBondContact O-N 3.25Å; L29-R33 WeakPolarHBondContact O-CB 3.21Å; L29-R33 PolarHBondContact O-N 3.28Å
30A92.8Very high89.7Confident54 Ų5486.5 Ų86.545%0.44652%0.52SS..Hα-helixtrans-65.5-42176.500000112.1G26 T27 A28 R33 K34G26-A30 WeakPolarHBondContact O-CB 3.41Å; G26-A30 PolarHBondContact O-N 3.15Å; T27-A30 PolarHBondContact O-N 3.13Å; A28-A30 PolarHBondContact O-N 3.45Å; A30-R33 PolarHBondContact O-N 2.91Å; A30-K34 PolarHBondContact O-N 3.3Å
31L94.4Very high90.2Very high117 Ų11784.9 Ų84.961%0.61352%0.519SS*.Hα-helixtrans-66.5-42.9175.3-72.6174000111.7T27 A28 R33 K34 G35T27-L31 HydrophobicContact CG2-CD1 4.22Å; T27-L31 WeakPolarHBondContact O-CB 3.33Å; T27-L31 WeakPolarHBondContact O-CG 3.44Å; T27-L31 PolarHBondContact O-N 3.05Å; A28-L31 PolarHBondContact O-N 3.15Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.14Å; L31-K34 PolarHBondContact O-N 2.87Å; L31-G35 PolarHBondContact O-N 3.36Å
32A94.4Very high90.6Very high63 Ų6385 Ų8552%0.52152%0.516SS..Hα-helixtrans-61-43.4175.100000111.5A28 L29 G35 A36A28-A32 WeakPolarHBondContact O-CB 3.42Å; A28-A32 PolarHBondContact O-N 3.06Å; L29-A32 PolarHBondContact O-N 3.25Å; A32-G35 PolarHBondContact O-N 3.32Å; A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.46Å
33R94.4Very high90.8Very high179 Ų17983 Ų8368%0.67550%0.502SS*.Hα-helixtrans-62-46.1175.7-175.6178.4178.9178.21.2111.9L29 A30 L31 A36 Q37L29-R33 WeakPolarHBondContact O-CB 3.21Å; L29-R33 PolarHBondContact O-N 3.28Å; A30-R33 PolarHBondContact O-N 2.91Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.14Å; R33-A36 PolarHBondContact O-N 3.27Å; R33-Q37 VanDerWaalsContact O-CG 3.31Å; R33-Q37 WeakPolarHBondContact O-CG 3.47Å; R33-Q37 PolarHBondContact O-N 3.04Å
34K93.4Very high90.5Very high140 Ų14085.9 Ų85.961%0.60950%0.503SS*.Hα-helixtrans-65.1-41.6176.3-81.8-169.8173.9-176.40112A30 L31 Q37 L38A30-K34 PolarHBondContact O-N 3.3Å; L31-K34 PolarHBondContact O-N 2.87Å; K34-Q37 PolarHBondContact O-N 3.48Å; K34-L38 WeakPolarHBondContact O-CG 3.34Å; K34-L38 PolarHBondContact O-N 3.22Å
35G94.3Very high90.1Very high41 Ų4193.5 Ų93.542%0.42352%0.519SS..Hα-helixtrans-60.8-44.9176.300000112L31 A32 Q37 L38 G39L31-G35 PolarHBondContact O-N 3.36Å; A32-G35 PolarHBondContact O-N 3.32Å; G35-Q37 PolarHBondContact O-N 3.09Å; G35-L38 PolarHBondContact O-N 3.41Å; G35-G39 PolarHBondContact O-N 2.89Å
36A92.9Very high89.8Confident58 Ų5895.7 Ų95.748%0.47952%0.523SS..Hα-helixtrans-62.6-41.5175.200000112.2A32 R33 G39 L40A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.46Å; R33-A36 PolarHBondContact O-N 3.27Å; A36-G39 PolarHBondContact O-N 2.96Å; A36-L40 WeakPolarHBondContact O-CB 3.5Å; A36-L40 WeakPolarHBondContact O-CG 3.25Å; A36-L40 PolarHBondContact O-N 3.38Å
37Q91.8Very high89.6Confident103 Ų103101 Ų10148%0.48153%0.533SS..Hα-helixtrans-62.3-46.8175.4-74.5173.7-17.600112R33 K34 G35 L40 V41R33-Q37 VanDerWaalsContact O-CG 3.31Å; R33-Q37 WeakPolarHBondContact O-CG 3.47Å; R33-Q37 PolarHBondContact O-N 3.04Å; K34-Q37 PolarHBondContact O-N 3.48Å; G35-Q37 PolarHBondContact O-N 3.09Å; Q37-L40 PolarHBondContact O-N 3.17Å; Q37-V41 WeakPolarHBondContact O-CG2 3.34Å; Q37-V41 PolarHBondContact O-N 3.06Å
38L91.4Very high89.4Confident123 Ų12399.7 Ų99.764%0.64452%0.522SS*.Hα-helixtrans-63.8-40.9177-71172.7000111.8K34 G35 V41 A42K34-L38 WeakPolarHBondContact O-CG 3.34Å; K34-L38 PolarHBondContact O-N 3.22Å; G35-L38 PolarHBondContact O-N 3.41Å; L38-V41 PolarHBondContact O-N 3.28Å; L38-A42 WeakPolarHBondContact O-CB 3.18Å; L38-A42 PolarHBondContact O-N 3.29Å
39G91Very high89.3Confident43 Ų4399.1 Ų99.144%0.44351%0.51SS..Hα-helixtrans-60.4-44.6175.400000112.5G35 A36 A42 F43G35-G39 PolarHBondContact O-N 2.89Å; A36-G39 PolarHBondContact O-N 2.96Å; G39-A42 PolarHBondContact O-N 3.41Å; G39-F43 WeakPolarHBondContact O-CB 3.11Å; G39-F43 PolarHBondContact O-N 2.94Å
40L86.4Confident89.1Confident111 Ų11198 Ų9858%0.58151%0.508SS*.Hα-helixtrans-65-39.1176.1-73.8170.3000112.5A36 Q37 F43 R44A36-L40 WeakPolarHBondContact O-CB 3.5Å; A36-L40 WeakPolarHBondContact O-CG 3.25Å; A36-L40 PolarHBondContact O-N 3.38Å; Q37-L40 PolarHBondContact O-N 3.17Å; L40-F43 PolarHBondContact O-N 3.49Å; L40-R44 WeakPolarHBondContact O-CG 3.2Å; L40-R44 PolarHBondContact O-N 3.37Å
41V86.1Confident89.1Confident70 Ų7097.5 Ų97.542%0.42450%0.498SS..Hα-helixtrans-66.6-43.9175.81720000110.9Q37 L38 F43 R44 R45Q37-V41 WeakPolarHBondContact O-CG2 3.34Å; Q37-V41 PolarHBondContact O-N 3.06Å; L38-V41 PolarHBondContact O-N 3.28Å; V41-F43 VanDerWaalsContact C-N 3.31Å; V41-F43 PolarHBondContact O-N 2.94Å; V41-R44 PolarHBondContact O-N 3.46Å; V41-R45 WeakPolarHBondContact O-CB 3.28Å; V41-R45 WeakPolarHBondContact O-CG 3.49Å; V41-R45 PolarHBondContact O-N 3.27Å
42A85.9Confident89.1Confident44 Ų4497.6 Ų97.636%0.36450%0.495SS..Hα-helixtrans-61.1-41.7175.800000111.3L38 G39 R45 H46L38-A42 WeakPolarHBondContact O-CB 3.18Å; L38-A42 PolarHBondContact O-N 3.29Å; G39-A42 PolarHBondContact O-N 3.41Å; A42-R45 PolarHBondContact O-N 3.12Å; A42-H46 PolarHBondContact O-N 3.48Å; A42-H46 PolarHBondContact O-ND1 3.46Å
43F85.4Confident89.1Confident88 Ų8894.9 Ų94.939%0.38647%0.472SS..Hα-helixtrans-61.3-49.4175180-105.5000112G39 L40 V41 R45 H46 Y47 M48 L140G39-F43 WeakPolarHBondContact O-CB 3.11Å; G39-F43 PolarHBondContact O-N 2.94Å; L40-F43 PolarHBondContact O-N 3.49Å; V41-F43 VanDerWaalsContact C-N 3.31Å; V41-F43 PolarHBondContact O-N 2.94Å; F43-R45 VanDerWaalsContact C-N 3.25Å; F43-R45 PolarHBondContact O-N 3.37Å; F43-H46 PolarHBondContact O-N 3.06Å; F43-Y47 AromaticContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CE2 4.48Å; F43-Y47 AromaticContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CE2-CD2 4.08Å; F43-Y47 AromaticContact CE2-CG 3.89Å; F43-Y47 HydrophobicContact CE2-CG 3.89Å; F43-Y47 WeakPolarHBondContact O-CB 3.4Å; F43-Y47 PolarHBondContact O-N 3.24Å; F43-M48 HydrophobicContact CD1-CE 4.23Å; F43-M48 HydrophobicContact CE1-CE 3.64Å; F43-L140 HydrophobicContact CZ-CD2 4.3Å
44R79.6Confident88.9Confident154 Ų15488.3 Ų88.358%0.58145%0.453SS*.Hα-helixtrans-58.4-37.4175.7-74.9-173.4-177.1-172.62.6112.4L40 V41 M48L40-R44 WeakPolarHBondContact O-CG 3.2Å; L40-R44 PolarHBondContact O-N 3.37Å; V41-R44 PolarHBondContact O-N 3.46Å; R44-M48 HydrophobicContact CB-SD 4.38Å; R44-M48 HydrophobicContact CG-SD 3.9Å; R44-M48 WeakPolarHBondContact O-CB 3.22Å
45R78.8Confident88.6Confident200 Ų20083.7 Ų83.776%0.75544%0.441SS*.Hα-helixtrans-74.9-32.7-179.3-74.6-178.6177-172.8-0.8114.1V41 A42 F43V41-R45 WeakPolarHBondContact O-CB 3.28Å; V41-R45 WeakPolarHBondContact O-CG 3.49Å; V41-R45 PolarHBondContact O-N 3.27Å; A42-R45 PolarHBondContact O-N 3.12Å; F43-R45 VanDerWaalsContact C-N 3.25Å; F43-R45 PolarHBondContact O-N 3.37Å
46H84.1Confident88Confident135 Ų13589.4 Ų89.463%0.62545%0.45SS*.Hα-helixtrans-102.5-23.7-172.9-66.384000114.2A42 F43A42-H46 PolarHBondContact O-N 3.48Å; A42-H46 PolarHBondContact O-ND1 3.46Å; F43-H46 PolarHBondContact O-N 3.06Å
47Y85.5Confident87.8Confident148 Ų14890.6 Ų90.658%0.5845%0.448SS*.Hα-helixtrans-119.20.4-173.2-68.2-89.2000114.1F43 G141F43-Y47 AromaticContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CE2 4.48Å; F43-Y47 AromaticContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CE2-CD2 4.08Å; F43-Y47 AromaticContact CE2-CG 3.89Å; F43-Y47 HydrophobicContact CE2-CG 3.89Å; F43-Y47 WeakPolarHBondContact O-CB 3.4Å; F43-Y47 PolarHBondContact O-N 3.24Å; Y47-G141 PolarHBondContact O-N 3.13Å
48M88.6Confident87.4Confident48 Ų4895.4 Ų95.424%0.23646%0.461CS..EExtended strand (participates in β ladder)trans-126.2148.1175.1-61177169.600110.4F43 R44 T138 A139 L140F43-M48 HydrophobicContact CD1-CE 4.23Å; F43-M48 HydrophobicContact CE1-CE 3.64Å; R44-M48 HydrophobicContact CB-SD 4.38Å; R44-M48 HydrophobicContact CG-SD 3.9Å; R44-M48 WeakPolarHBondContact O-CB 3.22Å; M48-T138 HydrophobicContact CB-CG2 4.14Å; M48-T138 HydrophobicContact CG-CG2 4.47Å; M48-T138 HydrophobicContact SD-CG2 3.98Å; M48-A139 VanDerWaalsContact CA-O 3.32Å; M48-A139 WeakPolarHBondContact CA-O 3.21Å; M48-L140 HydrophobicContact CE-CD2 3.61Å; M48-L140 HydrophobicContact CE-CG 4.46Å; M48-L140 HydrophobicContact CG-CD2 4.06Å
49I89.9Confident87.4Confident45 Ų4590.2 Ų90.223%0.23144%0.435CS..EExtended strand (participates in β ladder)trans-112.5138.7166.3-59.8166.9000108.2T138 A139 G141 T142 F147I49-T138 WeakPolarHBondContact O-CA 3.37Å; I49-A139 PolarHBondContact N-O 3.37Å; I49-A139 VanDerWaalsContact N-O 3.09Å; I49-A139 PolarHBondContact O-N 2.64Å; I49-G141 WeakPolarHBondContact CG1-O 2.99Å; I49-T142 VanDerWaalsContact CD1-O 3.26Å; I49-T142 WeakPolarHBondContact CD1-O 3.21Å; I49-F147 HydrophobicContact CB-CE2 3.86Å; I49-F147 HydrophobicContact CG2-CD2 4.08Å; I49-F147 HydrophobicContact CG2-CE2 3.54Å
50T90.6Very high87.4Confident93 Ų9389 Ų8957%0.57142%0.418SS*.EExtended strand (participates in β ladder)trans-115.6130.6174.854.30000110.2F137 T138T50-F137 CarbonylContact C-O 3.58Å; T50-F137 VanDerWaalsContact CA-O 3.23Å; T50-F137 WeakPolarHBondContact CA-O 3.02Å; T50-T138 HydrophobicContact CG2-CG2 3.95Å
51L92.8Very high87.4Confident45 Ų4586.7 Ų86.724%0.23642%0.415CS..EExtended strand (participates in β ladder)trans-111.8121.2166.1172.469.7000107.8V53 T136 F137 F147 L151L51-V53 HydrophobicContact CD2-CG2 4.17Å; L51-V53 HydrophobicContact CG-CG2 4.09Å; L51-T136 CarbonylContact O-C 3.6Å; L51-T136 VanDerWaalsContact O-CA 3.31Å; L51-T136 WeakPolarHBondContact O-CA 3.42Å; L51-F137 HydrophobicContact CB-CB 4.43Å; L51-F137 PolarHBondContact N-O 3.36Å; L51-F137 PolarHBondContact O-N 2.98Å; L51-F147 HydrophobicContact CB-CD1 4.32Å; L51-F147 HydrophobicContact CB-CD2 3.95Å; L51-F147 HydrophobicContact CB-CE2 4.2Å; L51-F147 HydrophobicContact CB-CG 4.02Å; L51-F147 HydrophobicContact CD2-CB 3.93Å; L51-F147 HydrophobicContact CD2-CD1 4.44Å; L51-F147 HydrophobicContact CD2-CG 4.19Å; L51-L151 HydrophobicContact CD2-CD1 4.01Å; L51-L151 HydrophobicContact CD2-CG 4.31Å
52E93.2Very high87.7Confident118 Ų11887.6 Ų87.655%0.55141%0.41SS*.EExtended strand (participates in β ladder)trans-105.3130.2172.8-178175.8-17300109.8S134E52-S134 WeakPolarHBondContact OE1-CB 3.22Å; E52-S134 PolarHBondContact OE1-OG 2.91Å; E52-S134 VanDerWaalsContact OE1-OG 3.11Å
53V94.1Very high88Confident6 Ų685.6 Ų85.64%0.03639%0.394CS..EExtended strand (participates in β ladder)trans-120.9112.6175.5-176.70000108.8L51 D57 S59 L63 S134 V135L51-V53 HydrophobicContact CD2-CG2 4.17Å; L51-V53 HydrophobicContact CG-CG2 4.09Å; V53-D57 HydrophobicContact CG1-CB 4.26Å; V53-S59 WeakPolarHBondContact CG1-OG 3.37Å; V53-L63 HydrophobicContact CB-CD1 4.06Å; V53-L63 HydrophobicContact CG1-CD1 4.08Å; V53-L63 HydrophobicContact CG2-CD1 3.67Å; V53-S134 WeakPolarHBondContact O-CA 3.31Å; V53-V135 PolarHBondContact N-O 3.03Å; V53-V135 PolarHBondContact O-N 2.75Å
54P91.3Very high88.2Confident41 Ų4181.7 Ų81.727%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-76.7152.3178.431.9-34.4000111.2R56 D57 W132P54-R56 PolarHBondContact O-N 3.46Å; P54-R56 VanDerWaalsContact O-N 3.09Å; P54-D57 HydrophobicContact CG-CB 4.35Å; P54-D57 WeakPolarHBondContact O-CB 3.27Å; P54-D57 PolarHBondContact O-N 3.43Å; P54-W132 HydrophobicContact CB-CZ2 3.98Å
55A86.1Confident88.7Confident44 Ų4475.5 Ų75.536%0.36436%0.357SS..THydrogen-bonded Turntrans-63.5-15.6179.300000114.7D57 Y60 E133A55-D57 VanDerWaalsContact C-N 3.27Å; A55-Y60 HydrophobicContact CB-CD1 4.16Å; A55-Y60 HydrophobicContact CB-CD2 4.22Å; A55-Y60 HydrophobicContact CB-CE1 4.15Å; A55-Y60 HydrophobicContact CB-CE2 4.2Å; A55-Y60 HydrophobicContact CB-CG 4.2Å; A55-E133 HydrophobicContact CB-CB 3.9Å; A55-E133 WeakPolarHBondContact CB-O 3.37Å; A55-E133 PolarHBondContact N-O 2.75Å
56R83.3Confident89.3Confident161 Ų16166.6 Ų66.661%0.60832%0.323SS*.THydrogen-bonded Turntrans-70.5-22.9172.4-72.2-173.6168.6173.10.2113.3P54 D125 W132P54-R56 PolarHBondContact O-N 3.46Å; P54-R56 VanDerWaalsContact O-N 3.09Å; R56-D125 IonicContact CZ-OD1 2.84Å; R56-D125 IonicContact NE-OD1 3.49Å; R56-D125 PolarHBondContact NE-OD1 2.87Å; R56-D125 IonicContact NH2-OD1 2.75Å; R56-D125 PolarHBondContact NH2-OD1 3.11Å; R56-W132 HydrophobicContact CG-CH2 4.41Å; R56-W132 HydrophobicContact CG-CZ3 4.37Å
57D87.4Confident89.6Confident82 Ų8260.4 Ų60.444%0.43930%0.295SS..SBendtrans-82.1138178.4-163.7-51.9000110.1V53 P54 A55 S59 Y60V53-D57 HydrophobicContact CG1-CB 4.26Å; P54-D57 HydrophobicContact CG-CB 4.35Å; P54-D57 WeakPolarHBondContact O-CB 3.27Å; P54-D57 PolarHBondContact O-N 3.43Å; A55-D57 VanDerWaalsContact C-N 3.27Å; D57-S59 PolarHBondContact O-N 3.01Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.38Å; D57-S59 PolarHBondContact OD1-OG 3.31Å; D57-Y60 VanDerWaalsContact O-CB 3.29Å; D57-Y60 WeakPolarHBondContact O-CB 3.49Å; D57-Y60 PolarHBondContact O-N 3.05Å; D57-Y60 VanDerWaalsContact O-N 3.11Å
58R84.9Confident89.6Confident204 Ų20455.5 Ų55.577%0.7728%0.28SS*.THydrogen-bonded Turntrans-59.7-30.1177.3-68.3-172.2177.9-174.40.2112.4Y60 A61 W62R58-Y60 PolarHBondContact O-N 3.35Å; R58-A61 PolarHBondContact O-N 3.33Å; R58-W62 HydrophobicContact CB-CH2 4.43Å; R58-W62 HydrophobicContact CB-CZ2 4.14Å
59S90.4Very high89.5Confident14 Ų1461.5 Ų61.510%0.09830%0.301CS..Hα-helixtrans-64.1-19.3178.458.80000113.8V53 D57 W62 L63V53-S59 WeakPolarHBondContact CG1-OG 3.37Å; D57-S59 PolarHBondContact O-N 3.01Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.38Å; D57-S59 PolarHBondContact OD1-OG 3.31Å; S59-W62 PolarHBondContact O-N 2.95Å; S59-L63 WeakPolarHBondContact O-CB 3.44Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.32Å
60Y90.8Very high89.3Confident19 Ų1962.7 Ų62.78%0.07531%0.305CS..Hα-helixtrans-57.9-52.2175.8-179.3-96.8000111.8A55 D57 R58 W62 L63 L64 R117 E133 V135A55-Y60 HydrophobicContact CB-CD1 4.16Å; A55-Y60 HydrophobicContact CB-CD2 4.22Å; A55-Y60 HydrophobicContact CB-CE1 4.15Å; A55-Y60 HydrophobicContact CB-CE2 4.2Å; A55-Y60 HydrophobicContact CB-CG 4.2Å; D57-Y60 VanDerWaalsContact O-CB 3.29Å; D57-Y60 WeakPolarHBondContact O-CB 3.49Å; D57-Y60 PolarHBondContact O-N 3.05Å; D57-Y60 VanDerWaalsContact O-N 3.11Å; R58-Y60 PolarHBondContact O-N 3.35Å; Y60-W62 VanDerWaalsContact C-N 3.32Å; Y60-W62 PolarHBondContact O-N 3.04Å; Y60-L63 PolarHBondContact O-N 3.13Å; Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.47Å; Y60-L64 HydrophobicContact CE1-CD1 3.41Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.41Å; Y60-L64 HydrophobicContact CE1-CG 4.22Å; Y60-L64 WeakPolarHBondContact O-CG 3.29Å; Y60-L64 PolarHBondContact O-N 2.91Å; Y60-R117 PolarHBondContact OH-NE 2.95Å; Y60-R117 VanDerWaalsContact OH-NE 3.13Å; Y60-E133 PolarHBondContact OH-OE2 2.99Å; Y60-V135 HydrophobicContact CD2-CB 4.43Å; Y60-V135 HydrophobicContact CD2-CG2 4.1Å; Y60-V135 HydrophobicContact CE2-CB 4.17Å; Y60-V135 HydrophobicContact CE2-CG2 3.46Å; Y60-V135 VanDerWaalsContact CE2-CG2 3.46Å
61A87.4Confident88.7Confident62 Ų6259 Ų5951%0.51228%0.283SS..Hα-helixtrans-63.1-40.4179.900000111.7R58 L63 L64 S65R58-A61 PolarHBondContact O-N 3.33Å; A61-L63 PolarHBondContact O-N 3.47Å; A61-L64 PolarHBondContact O-N 3.22Å; A61-S65 PolarHBondContact O-N 3.2Å; A61-S65 VanDerWaalsContact O-N 3.11Å
62W91.6Very high87.3Confident89 Ų8963.2 Ų63.234%0.33731%0.311SS..Hα-helixtrans-62-43.6177.6-54.8-18.1000111.7R58 S59 Y60 S65 W66 A154 R155 A158R58-W62 HydrophobicContact CB-CH2 4.43Å; R58-W62 HydrophobicContact CB-CZ2 4.14Å; S59-W62 PolarHBondContact O-N 2.95Å; Y60-W62 VanDerWaalsContact C-N 3.32Å; Y60-W62 PolarHBondContact O-N 3.04Å; W62-S65 PolarHBondContact O-N 3.33Å; W62-W66 WeakPolarHBondContact O-CB 3.24Å; W62-W66 PolarHBondContact O-N 3.17Å; W62-A154 HydrophobicContact CB-CB 4.23Å; W62-R155 HydrophobicContact CE3-CB 4.24Å; W62-R155 HydrophobicContact CE3-CG 4.39Å; W62-R155 HydrophobicContact CZ3-CB 4.36Å; W62-R155 HydrophobicContact CZ3-CG 4.08Å; W62-A158 HydrophobicContact CB-CB 4.16Å; W62-A158 HydrophobicContact CD2-CB 4.1Å; W62-A158 HydrophobicContact CG-CB 3.62Å
63L92.9Very high86Confident2 Ų268 Ų681%0.0132%0.324CS..Hα-helixtrans-66.7-38178.5-75.6167.5000112.7V53 S59 Y60 A61 W66 L67 F137 I150 L151 A154V53-L63 HydrophobicContact CB-CD1 4.06Å; V53-L63 HydrophobicContact CG1-CD1 4.08Å; V53-L63 HydrophobicContact CG2-CD1 3.67Å; S59-L63 WeakPolarHBondContact O-CB 3.44Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.32Å; Y60-L63 PolarHBondContact O-N 3.13Å; A61-L63 PolarHBondContact O-N 3.47Å; L63-W66 PolarHBondContact O-N 3.04Å; L63-L67 WeakPolarHBondContact O-CB 3.25Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3.49Å; L63-F137 HydrophobicContact CD1-CE2 4.04Å; L63-F137 HydrophobicContact CD2-CE2 4.27Å; L63-F137 HydrophobicContact CD2-CZ 4.09Å; L63-I150 HydrophobicContact CD2-CG2 3.73Å; L63-L151 HydrophobicContact CD1-CD2 3.84Å; L63-L151 HydrophobicContact CD2-CD2 4.1Å; L63-L151 HydrophobicContact CG-CD2 4.2Å; L63-A154 HydrophobicContact CD2-CB 3.98Å; L63-A154 HydrophobicContact CG-CB 4.4Å
64L89.9Confident84.8Confident5 Ų569.4 Ų69.43%0.02633%0.332CS..Hα-helixtrans-65.1-43.7176-67.8-173.9000111.8Y60 A61 L67 T68 V98 V135Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.47Å; Y60-L64 HydrophobicContact CE1-CD1 3.41Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.41Å; Y60-L64 HydrophobicContact CE1-CG 4.22Å; Y60-L64 WeakPolarHBondContact O-CG 3.29Å; Y60-L64 PolarHBondContact O-N 2.91Å; A61-L64 PolarHBondContact O-N 3.22Å; L64-L67 HydrophobicContact CD2-CD1 4.37Å; L64-L67 PolarHBondContact O-N 2.85Å; L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 2.9Å; L64-T68 VanDerWaalsContact O-N 3.15Å; L64-T68 PolarHBondContact O-OG1 3.29Å; L64-V98 HydrophobicContact CB-CG1 4.47Å; L64-V135 HydrophobicContact CD2-CG2 3.94Å
65S88.3Confident83.9Confident25 Ų2575 Ų7518%0.17536%0.355CS..Hα-helixtrans-64.5-39.1175.1-175.60000112.1A61 W62 T68 R69A61-S65 PolarHBondContact O-N 3.2Å; A61-S65 VanDerWaalsContact O-N 3.11Å; W62-S65 PolarHBondContact O-N 3.33Å; S65-T68 PolarHBondContact O-OG1 3.06Å; S65-R69 PolarHBondContact O-N 3.49Å
66W91.6Very high83.7Confident12 Ų1278.7 Ų78.75%0.04536%0.364CS..Hα-helixtrans-65.4-44173.5176.891.1000112.1W62 L63 T68 R69 H70 I106 Y108 F137 I150 E153 A154 L157W62-W66 WeakPolarHBondContact O-CB 3.24Å; W62-W66 PolarHBondContact O-N 3.17Å; L63-W66 PolarHBondContact O-N 3.04Å; W66-T68 VanDerWaalsContact C-N 3.32Å; W66-T68 PolarHBondContact O-N 2.91Å; W66-R69 PolarHBondContact O-N 3.47Å; W66-H70 HydrophobicContact CD2-CB 4.35Å; W66-H70 HydrophobicContact CH2-CB 4.34Å; W66-H70 AromaticContact CH2-CD2 3.88Å; W66-H70 HydrophobicContact CZ2-CB 4.13Å; W66-H70 AromaticContact CZ2-CG 3.83Å; W66-H70 VanDerWaalsContact O-CB 3.28Å; W66-H70 WeakPolarHBondContact O-CB 3.3Å; W66-H70 PolarHBondContact O-N 3.42Å; W66-I106 HydrophobicContact CH2-CD1 4.01Å; W66-I106 HydrophobicContact CZ3-CD1 3.89Å; W66-Y108 HydrophobicContact CH2-CD2 4.01Å; W66-Y108 HydrophobicContact CH2-CE2 4.32Å; W66-Y108 AromaticContact CZ2-CD2 3.81Å; W66-Y108 HydrophobicContact CZ2-CD2 3.81Å; W66-Y108 AromaticContact CZ2-CE2 3.74Å; W66-Y108 HydrophobicContact CZ2-CE2 3.74Å; W66-F137 HydrophobicContact CZ3-CE1 4.4Å; W66-I150 HydrophobicContact CD2-CG2 4.27Å; W66-I150 HydrophobicContact CE3-CG2 3.93Å; W66-I150 HydrophobicContact CH2-CB 4.43Å; W66-I150 HydrophobicContact CH2-CD1 4.19Å; W66-I150 HydrophobicContact CH2-CG1 3.9Å; W66-I150 HydrophobicContact CH2-CG2 3.79Å; W66-I150 HydrophobicContact CZ2-CG1 4.12Å; W66-I150 HydrophobicContact CZ2-CG2 4.12Å; W66-I150 HydrophobicContact CZ3-CG2 3.68Å; W66-E153 PolarHBondContact NE1-OE2 3.02Å; W66-A154 HydrophobicContact CB-CB 3.69Å; W66-A154 HydrophobicContact CG-CB 4Å; W66-L157 HydrophobicContact CB-CD2 4.05Å
67L90.5Very high83.8Confident5 Ų574.9 Ų74.93%0.02636%0.356CS..Hα-helixtrans-57.6-45.4179-82.8168.4000111.2L63 L64 R69 H70 S71 P99 I106 V115 F137L63-L67 WeakPolarHBondContact O-CB 3.25Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3.49Å; L64-L67 HydrophobicContact CD2-CD1 4.37Å; L64-L67 PolarHBondContact O-N 2.85Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.41Å; L67-H70 PolarHBondContact O-N 3.43Å; L67-S71 VanDerWaalsContact O-CB 3.31Å; L67-S71 WeakPolarHBondContact O-CB 3.39Å; L67-S71 PolarHBondContact O-N 3.41Å; L67-S71 PolarHBondContact O-OG 2.97Å; L67-P99 HydrophobicContact CB-CG 4.04Å; L67-P99 HydrophobicContact CD1-CG 4.32Å; L67-I106 HydrophobicContact CD2-CD1 3.87Å; L67-I106 HydrophobicContact CD2-CG2 4.11Å; L67-V115 HydrophobicContact CD1-CG1 3.91Å; L67-V115 HydrophobicContact CD2-CG1 4.47Å; L67-V115 HydrophobicContact CD2-CG2 4.13Å; L67-F137 HydrophobicContact CD1-CE1 4.42Å; L67-F137 HydrophobicContact CD1-CZ 3.91Å; L67-F137 HydrophobicContact CD2-CE1 4Å; L67-F137 HydrophobicContact CD2-CZ 4.25Å; L67-F137 HydrophobicContact CG-CE1 4.44Å; L67-F137 HydrophobicContact CG-CZ 4.21Å
68T86.4Confident83.7Confident45 Ų4572.5 Ų72.528%0.27635%0.345SS..Hα-helixtrans-68.3-35.1-176.556.20000112.2L64 S65 W66 F97 V98 P99L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 2.9Å; L64-T68 VanDerWaalsContact O-N 3.15Å; L64-T68 PolarHBondContact O-OG1 3.29Å; S65-T68 PolarHBondContact O-OG1 3.06Å; W66-T68 VanDerWaalsContact C-N 3.32Å; W66-T68 PolarHBondContact O-N 2.91Å; T68-F97 WeakPolarHBondContact CG2-O 3.37Å; T68-V98 HydrophobicContact CG2-CB 4.49Å; T68-P99 HydrophobicContact CG2-CG 4.24Å
69R85.8Confident83.8Confident175 Ų17566.5 Ų66.566%0.6633%0.332SS*.Hα-helixtrans-74.2-35.6175.7-163.1165.7-177.3171.9-0.7112.5S65 W66 L67 L157S65-R69 PolarHBondContact O-N 3.49Å; W66-R69 PolarHBondContact O-N 3.47Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.41Å; R69-L157 HydrophobicContact CB-CD2 4.42Å
70H85.5Confident83.5Confident69 Ų6970 Ų7032%0.31935%0.346SS..Hα-helixtrans-80.8-36.3-178.6-171.769.2000113.1W66 L67 T72 W107 Y108W66-H70 HydrophobicContact CD2-CB 4.35Å; W66-H70 HydrophobicContact CH2-CB 4.34Å; W66-H70 AromaticContact CH2-CD2 3.88Å; W66-H70 HydrophobicContact CZ2-CB 4.13Å; W66-H70 AromaticContact CZ2-CG 3.83Å; W66-H70 VanDerWaalsContact O-CB 3.28Å; W66-H70 WeakPolarHBondContact O-CB 3.3Å; W66-H70 PolarHBondContact O-N 3.42Å; L67-H70 PolarHBondContact O-N 3.43Å; H70-T72 PolarHBondContact O-N 2.81Å; H70-W107 PolarHBondContact NE2-O 3.49Å; H70-Y108 AromaticContact CE1-CD2 3.85Å; H70-Y108 AromaticContact NE2-CD2 3.8Å
71S78.8Confident83.2Confident17 Ų1772.9 Ų72.912%0.11937%0.366CS..  trans-92.595.2-178.1590000111.1L67 R73 T74L67-S71 VanDerWaalsContact O-CB 3.31Å; L67-S71 WeakPolarHBondContact O-CB 3.39Å; L67-S71 PolarHBondContact O-N 3.41Å; L67-S71 PolarHBondContact O-OG 2.97Å; S71-R73 PolarHBondContact O-N 3.44Å; S71-R73 VanDerWaalsContact O-N 3.17Å; S71-T74 WeakPolarHBondContact OG-CG2 3.41Å
72T63.2Low83Confident133 Ų13372.1 Ų72.182%0.81636%0.357SS*.THydrogen-bonded Turntrans-69.7-8.6177.658.20000113.8H70H70-T72 PolarHBondContact O-N 2.81Å
73R66.4Low82.7Confident218 Ų21873.7 Ų73.782%0.82336%0.364SS*.THydrogen-bonded Turntrans-136.267.1-177.9-66-174.7179.3177.90.1112.3S71S71-R73 PolarHBondContact O-N 3.44Å; S71-R73 VanDerWaalsContact O-N 3.17Å
74T68.3Low82.3Confident35 Ų3578.7 Ų78.722%0.21539%0.39CS..  trans-89.1122.3167.547.10000110.3S71 L77S71-T74 WeakPolarHBondContact OG-CG2 3.41Å; T74-L77 VanDerWaalsContact OG1-CD2 3.23Å; T74-L77 WeakPolarHBondContact OG1-CD2 3.49Å
75Q71.6Confident82.1Confident160 Ų16084.2 Ų84.275%0.74842%0.416SS*.SBendtrans-81-33.6179.9-63.1-65.8-35.800112.4
76H83.1Confident82Confident120 Ų12087.3 Ų87.356%0.55643%0.427SS*.SBendtrans-116.6116.9-178.2-50-68.6000110.7S100 H104H76-S100 WeakPolarHBondContact CB-OG 3.43Å; H76-S100 PolarHBondContact O-N 2.96Å; H76-S100 VanDerWaalsContact O-N 3.07Å; H76-H104 PolarHBondContact O-CE1 3.08Å
77L84.6Confident81.5Confident81 Ų8196.4 Ų96.442%0.42447%0.47SS..EExtended strand (participates in β ladder)trans-122.2140.8-176.5-68.8174.2000109.7T74 F97 V98T74-L77 VanDerWaalsContact OG1-CD2 3.23Å; T74-L77 WeakPolarHBondContact OG1-CD2 3.49Å; L77-F97 HydrophobicContact CD1-CB 4.38Å; L77-F97 HydrophobicContact CD1-CD1 4.37Å; L77-F97 HydrophobicContact CD1-CG 4.5Å; L77-F97 HydrophobicContact CD2-CB 4.35Å; L77-V98 CarbonylContact C-O 3.5Å; L77-V98 WeakPolarHBondContact CA-O 3.4Å
78S85.9Confident81.4Confident32 Ų32101 Ų10122%0.22450%0.502CS..EExtended strand (participates in β ladder)trans-108.7153.8162.948.70000109.2V98 R117S78-V98 PolarHBondContact N-O 3.21Å; S78-V98 PolarHBondContact O-N 3.24Å; S78-V98 VanDerWaalsContact O-O 3.1Å; S78-V98 WeakPolarHBondContact OG-CG2 3.49Å; S78-V98 PolarHBondContact OG-O 3.06Å; S78-R117 PolarHBondContact OG-NH1 3.44Å
79V87Confident81.4Confident79 Ų79101 Ų10148%0.47951%0.512SS..EExtended strand (participates in β ladder)trans-104.4126.9178.6-1800000108.8F95 F97V79-F95 HydrophobicContact CG1-CB 4.17Å; V79-F95 HydrophobicContact CG1-CD1 3.9Å; V79-F95 HydrophobicContact CG1-CG 4.49Å; V79-F97 HydrophobicContact CG2-CD1 3.93Å; V79-F97 HydrophobicContact CG2-CE1 3.81Å
80E83.9Confident81.4Confident88 Ų88101 Ų10141%0.41151%0.512SS..EExtended strand (participates in β ladder)trans-99.2124164-72.2-174.6-179.100108.5E96 V98E80-E96 PolarHBondContact N-O 3.31Å; E80-E96 PolarHBondContact O-N 2.75Å; E80-V98 HydrophobicContact CG-CG1 4.35Å; E80-V98 HydrophobicContact CG-CG2 3.97Å
81T84.3Confident81.6Confident78 Ų78101.8 Ų101.848%0.47952%0.517SS..EExtended strand (participates in β ladder)trans-107.5113.4-179.2-55.80000109.1Y83 K94 F95T81-Y83 PolarHBondContact O-N 2.8Å; T81-K94 WeakPolarHBondContact CA-O 3.36Å; T81-F95 HydrophobicContact CG2-CD1 3.78Å; T81-F95 HydrophobicContact CG2-CE1 3.46Å; T81-F95 VanDerWaalsContact CG2-CE1 3.46Å; T81-F95 HydrophobicContact CG2-CZ 4.34Å; T81-F95 VanDerWaalsContact OG1-CD1 3.31Å; T81-F95 WeakPolarHBondContact OG1-CD1 3.43Å; T81-F95 WeakPolarHBondContact OG1-CE1 3.24Å
82S83.5Confident81.9Confident47 Ų47102.8 Ų102.833%0.32952%0.524SS..EExtended strand (participates in β ladder)trans-83.8109.616875.80000108.2T93 K94S82-T93 WeakPolarHBondContact O-CA 3.46Å; S82-K94 PolarHBondContact N-O 3.32Å; S82-K94 PolarHBondContact O-N 2.9Å; S82-K94 VanDerWaalsContact OG-CB 3.31Å; S82-K94 WeakPolarHBondContact OG-CB 3.41Å; S82-K94 PolarHBondContact OG-N 3.18Å
83Y84.9Confident82.9Confident122 Ų12299.8 Ų99.848%0.47851%0.506SS..EExtended strand (participates in β ladder)trans-104.7104.7175.1179.8-89.7000109T81 Q85 I91 T93T81-Y83 PolarHBondContact O-N 2.8Å; Y83-Q85 HydrophobicContact CD1-CB 4.42Å; Y83-Q85 HydrophobicContact CE1-CB 3.65Å; Y83-Q85 PolarHBondContact OH-OE1 3.4Å; Y83-Q85 VanDerWaalsContact OH-OE1 3.08Å; Y83-I91 HydrophobicContact CD2-CG2 3.83Å; Y83-I91 HydrophobicContact CE2-CB 4.39Å; Y83-I91 HydrophobicContact CE2-CD1 4.14Å; Y83-I91 HydrophobicContact CE2-CG1 4.23Å; Y83-I91 HydrophobicContact CE2-CG2 3.3Å; Y83-I91 VanDerWaalsContact OH-CD1 3.22Å; Y83-I91 WeakPolarHBondContact OH-CD1 3.43Å; Y83-I91 WeakPolarHBondContact OH-CG1 3.16Å; Y83-T93 HydrophobicContact CD2-CG2 3.67Å; Y83-T93 HydrophobicContact CE2-CG2 4.37Å
84L84.6Confident83.9Confident107 Ų10796.1 Ų96.156%0.5650%0.496SS*.EExtended strand (participates in β ladder)trans-109102.4176.9-66.7172.8000109S92L84-S92 PolarHBondContact N-O 3.3Å; L84-S92 PolarHBondContact O-N 3.22Å
85Q86.2Confident84.8Confident121 Ų121100.6 Ų100.657%0.56551%0.513SS*.EExtended strand (participates in β ladder)trans-91.7117.3171.1-175.8170.51.300109.2Y83 I91Y83-Q85 HydrophobicContact CD1-CB 4.42Å; Y83-Q85 HydrophobicContact CE1-CB 3.65Å; Y83-Q85 PolarHBondContact OH-OE1 3.4Å; Y83-Q85 VanDerWaalsContact OH-OE1 3.08Å; Q85-I91 HydrophobicContact CG-CG1 4.27Å
86H85.4Confident85.4Confident90 Ų9097.4 Ų97.442%0.41750%0.498SS..  trans-77155.3174.1-61.5-81.2000110.2S88 G89 R90 S92H86-S88 PolarHBondContact O-N 3.2Å; H86-G89 PolarHBondContact O-N 2.98Å; H86-R90 HydrophobicContact CB-CB 4.39Å; H86-R90 PolarHBondContact CD2-O 2.94Å; H86-R90 PolarHBondContact N-O 3.32Å; H86-S92 PolarHBondContact NE2-OG 2.89Å
87E82.3Confident85.6Confident202 Ų20297.4 Ų97.494%0.94450%0.496SS*.THydrogen-bonded Turntrans-57.2-23.9175.9-64.3-178.5168.900113G89E87-G89 PolarHBondContact O-N 3.43Å
88S86.9Confident85.8Confident101 Ų10193.9 Ų93.971%0.70648%0.478SS*.THydrogen-bonded Turntrans-72-2173.560.70000114.5H86 R90H86-S88 PolarHBondContact O-N 3.2Å; S88-R90 PolarHBondContact O-N 3.39Å
89G86.4Confident85.9Confident46 Ų4692.6 Ų92.647%0.47447%0.469SS..SBendtrans80-2.2-172.900000114.1H86 E87 I91H86-G89 PolarHBondContact O-N 2.98Å; E87-G89 PolarHBondContact O-N 3.43Å; G89-I91 PolarHBondContact O-N 2.9Å
90R86.3Confident86Confident176 Ų17689.9 Ų89.966%0.66445%0.453SS*.  trans-68.4128.1173-178.3176.9174.81630.3109.7H86 S88H86-R90 HydrophobicContact CB-CB 4.39Å; H86-R90 PolarHBondContact CD2-O 2.94Å; H86-R90 PolarHBondContact N-O 3.32Å; S88-R90 PolarHBondContact O-N 3.39Å
91I89.1Confident86.2Confident85 Ų8588.6 Ų88.644%0.43645%0.453SS..EExtended strand (participates in β ladder)trans-101.8124.8175.7-62.5167.9000108.5Y83 Q85 G89 T93Y83-I91 HydrophobicContact CD2-CG2 3.83Å; Y83-I91 HydrophobicContact CE2-CB 4.39Å; Y83-I91 HydrophobicContact CE2-CD1 4.14Å; Y83-I91 HydrophobicContact CE2-CG1 4.23Å; Y83-I91 HydrophobicContact CE2-CG2 3.3Å; Y83-I91 VanDerWaalsContact OH-CD1 3.22Å; Y83-I91 WeakPolarHBondContact OH-CD1 3.43Å; Y83-I91 WeakPolarHBondContact OH-CG1 3.16Å; Q85-I91 HydrophobicContact CG-CG1 4.27Å; G89-I91 PolarHBondContact O-N 2.9Å; I91-T93 HydrophobicContact CG2-CG2 3.86Å
92S85.3Confident86.5Confident38 Ų3886.4 Ų86.427%0.26645%0.445SS..EExtended strand (participates in β ladder)trans-112.5106.8171.2-61.20000108.1L84 H86L84-S92 PolarHBondContact N-O 3.3Å; L84-S92 PolarHBondContact O-N 3.22Å; H86-S92 PolarHBondContact NE2-OG 2.89Å
93T85.8Confident86.8Confident70 Ų7087.7 Ų87.743%0.42945%0.449SS..EExtended strand (participates in β ladder)trans-102.4138.4174.747.30000110.9S82 Y83 I91S82-T93 WeakPolarHBondContact O-CA 3.46Å; Y83-T93 HydrophobicContact CD2-CG2 3.67Å; Y83-T93 HydrophobicContact CE2-CG2 4.37Å; I91-T93 HydrophobicContact CG2-CG2 3.86Å
94K86.7Confident87Confident141 Ų14182.9 Ų82.961%0.61343%0.431SS*.EExtended strand (participates in β ladder)trans-130144.5164.2-52.3-178.3176.7178.50108.8T81 S82T81-K94 WeakPolarHBondContact CA-O 3.36Å; S82-K94 PolarHBondContact N-O 3.32Å; S82-K94 PolarHBondContact O-N 2.9Å; S82-K94 VanDerWaalsContact OG-CB 3.31Å; S82-K94 WeakPolarHBondContact OG-CB 3.41Å; S82-K94 PolarHBondContact OG-N 3.18Å
95F87.3Confident87.3Confident129 Ų12984.2 Ų84.257%0.56643%0.432SS*.EExtended strand (participates in β ladder)trans-114.3122.4176.2-57.7-76000107.9V79 T81V79-F95 HydrophobicContact CG1-CB 4.17Å; V79-F95 HydrophobicContact CG1-CD1 3.9Å; V79-F95 HydrophobicContact CG1-CG 4.49Å; T81-F95 HydrophobicContact CG2-CD1 3.78Å; T81-F95 HydrophobicContact CG2-CE1 3.46Å; T81-F95 VanDerWaalsContact CG2-CE1 3.46Å; T81-F95 HydrophobicContact CG2-CZ 4.34Å; T81-F95 VanDerWaalsContact OG1-CD1 3.31Å; T81-F95 WeakPolarHBondContact OG1-CD1 3.43Å; T81-F95 WeakPolarHBondContact OG1-CE1 3.24Å
96E83.9Confident87.5Confident93 Ų9378.9 Ų78.944%0.43541%0.407SS..EExtended strand (participates in β ladder)trans-112.5131.2173.7-67.9-176.3-172.800108.4E80E80-E96 PolarHBondContact N-O 3.31Å; E80-E96 PolarHBondContact O-N 2.75Å
97F86.7Confident87.7Confident120 Ų12081.1 Ų81.153%0.52641%0.412SS..EExtended strand (participates in β ladder)trans-86.6130.5174.4-64.1-74.1000108.4T68 L77 V79T68-F97 WeakPolarHBondContact CG2-O 3.37Å; L77-F97 HydrophobicContact CD1-CB 4.38Å; L77-F97 HydrophobicContact CD1-CD1 4.37Å; L77-F97 HydrophobicContact CD1-CG 4.5Å; L77-F97 HydrophobicContact CD2-CB 4.35Å; V79-F97 HydrophobicContact CG2-CD1 3.93Å; V79-F97 HydrophobicContact CG2-CE1 3.81Å
98V88.4Confident88.1Confident6 Ų671.9 Ų71.94%0.03637%0.369CS..EExtended strand (participates in β ladder)trans-127.8155174.3-56.20000110.3L64 T68 L77 S78 E80 S100L64-V98 HydrophobicContact CB-CG1 4.47Å; T68-V98 HydrophobicContact CG2-CB 4.49Å; L77-V98 CarbonylContact C-O 3.5Å; L77-V98 WeakPolarHBondContact CA-O 3.4Å; S78-V98 PolarHBondContact N-O 3.21Å; S78-V98 PolarHBondContact O-N 3.24Å; S78-V98 VanDerWaalsContact O-O 3.1Å; S78-V98 WeakPolarHBondContact OG-CG2 3.49Å; S78-V98 PolarHBondContact OG-O 3.06Å; E80-V98 HydrophobicContact CG-CG1 4.35Å; E80-V98 HydrophobicContact CG-CG2 3.97Å; V98-S100 PolarHBondContact O-N 2.83Å
99P88.2Confident88.1Confident6 Ų674.9 Ų74.94%0.03937%0.365CS..EExtended strand (participates in β ladder)trans-62.9131.9179.9-18.133.4000110L67 T68 R117L67-P99 HydrophobicContact CB-CG 4.04Å; L67-P99 HydrophobicContact CD1-CG 4.32Å; T68-P99 HydrophobicContact CG2-CG 4.24Å; P99-R117 WeakPolarHBondContact O-CD 3.18Å; P99-R117 PolarHBondContact O-NH1 2.99Å
100S88.9Confident88.1Confident21 Ų2175 Ų7515%0.14737%0.366CS..PPolyproline II helixtrans-65.6161.7179.275.70000111.5H76 V98 G102 H104H76-S100 WeakPolarHBondContact CB-OG 3.43Å; H76-S100 PolarHBondContact O-N 2.96Å; H76-S100 VanDerWaalsContact O-N 3.07Å; V98-S100 PolarHBondContact O-N 2.83Å; S100-G102 PolarHBondContact O-N 2.8Å; S100-H104 PolarHBondContact O-NE2 3.14Å
101P89.8Confident88.2Confident62 Ų6269.9 Ų69.940%0.40335%0.348SS..SBendtrans-52.3138166.6-25.435.5000111.2
102G89.8Confident88.2Confident31 Ų3173 Ų7332%0.3236%0.355SS..EExtended strand (participates in β ladder)trans130.4-164.4-174.700000114S100 E116 R117S100-G102 PolarHBondContact O-N 2.8Å; G102-E116 WeakPolarHBondContact O-CA 3.42Å; G102-R117 PolarHBondContact N-O 3.13Å; G102-R117 PolarHBondContact O-N 3.38Å
103N89.8Confident88.5Confident75 Ų7571.2 Ų71.240%0.40134%0.342SS..EExtended strand (participates in β ladder)trans-101.9131.6-175.8-71.5-60000111.5R114 V115 E116N103-R114 PolarHBondContact ND2-NH2 3.05Å; N103-R114 PolarHBondContact OD1-NE 3.35Å; N103-R114 VanDerWaalsContact OD1-NE 3.09Å; N103-R114 PolarHBondContact OD1-NH2 3.38Å; N103-V115 CarbonylContact C-O 3.58Å; N103-E116 WeakPolarHBondContact OD1-CB 3.43Å; N103-E116 VanDerWaalsContact OD1-CD 3.24Å; N103-E116 WeakPolarHBondContact OD1-CG 3.42Å; N103-E116 PolarHBondContact OD1-OE1 3.02Å
104H89.8Confident88.8Confident21 Ų2170.9 Ų70.910%0.09733%0.333CS..EExtended strand (participates in β ladder)trans-129.4153.7177.2-55-82.8000109.7H76 S100 R114 V115H76-H104 PolarHBondContact O-CE1 3.08Å; S100-H104 PolarHBondContact O-NE2 3.14Å; H104-R114 WeakPolarHBondContact O-CA 3.43Å; H104-V115 HydrophobicContact CB-CB 4.34Å; H104-V115 PolarHBondContact N-O 3.46Å; H104-V115 PolarHBondContact O-N 3.13Å
105F90Very high89Confident135 Ų13564.3 Ų64.359%0.59230%0.304SS*.EExtended strand (participates in β ladder)trans-124.6128.8175.7-67.2-87.3000109.3W112 R114F105-W112 HydrophobicContact CB-CE3 4.28Å; F105-W112 HydrophobicContact CB-CZ3 4.35Å; F105-R114 HydrophobicContact CD1-CB 4.04Å; F105-R114 HydrophobicContact CD1-CG 4.39Å; F105-R114 HydrophobicContact CE1-CB 3.8Å; F105-R114 HydrophobicContact CE1-CG 3.9Å; F105-R114 HydrophobicContact CZ-CG 4.23Å
106I91Very high89.3Confident8 Ų861.2 Ų61.24%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-121.1149.6177.666.3175.3000110W66 L67 I113 V115 F137W66-I106 HydrophobicContact CH2-CD1 4.01Å; W66-I106 HydrophobicContact CZ3-CD1 3.89Å; L67-I106 HydrophobicContact CD2-CD1 3.87Å; L67-I106 HydrophobicContact CD2-CG2 4.11Å; I106-I113 HydrophobicContact CD1-CB 4.28Å; I106-I113 HydrophobicContact CG1-CB 3.78Å; I106-I113 HydrophobicContact CG1-CG2 4.48Å; I106-I113 PolarHBondContact N-O 2.66Å; I106-I113 PolarHBondContact O-N 3.1Å; I106-V115 HydrophobicContact CD1-CG2 3.87Å; I106-V115 HydrophobicContact CG1-CG2 4.02Å; I106-V115 HydrophobicContact CG2-CG2 4.4Å; I106-F137 HydrophobicContact CD1-CE1 4.29Å
107W89.8Confident89.6Confident138 Ų13857.7 Ų57.752%0.52328%0.275SS..EExtended strand (participates in β ladder)trans-102.5120.6171.5-177.5-100.3000108.9H70 G110 W112H70-W107 PolarHBondContact NE2-O 3.49Å; W107-G110 WeakPolarHBondContact CH2-O 3.49Å; W107-W112 HydrophobicContact CB-CE3 4.49Å; W107-W112 HydrophobicContact CB-CZ3 4.3Å; W107-W112 AromaticContact CE3-CD1 3.73Å; W107-W112 AromaticContact CE3-CD2 3.59Å; W107-W112 HydrophobicContact CE3-CD2 3.59Å; W107-W112 AromaticContact CE3-CE2 3.42Å; W107-W112 VanDerWaalsContact CE3-CE2 3.42Å; W107-W112 HydrophobicContact CE3-CE3 4.24Å; W107-W112 AromaticContact CE3-CG 3.77Å; W107-W112 HydrophobicContact CE3-CG 3.77Å; W107-W112 AromaticContact CE3-CZ2 3.93Å; W107-W112 HydrophobicContact CE3-CZ2 3.93Å; W107-W112 AromaticContact CE3-NE1 3.5Å; W107-W112 AromaticContact CZ3-CD1 3.4Å; W107-W112 HydrophobicContact CZ3-CD2 4.1Å; W107-W112 AromaticContact CZ3-CE2 3.71Å; W107-W112 AromaticContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CZ2 4.42Å; W107-W112 AromaticContact CZ3-NE1 3.25Å
108Y89.8Confident89.8Confident7 Ų754.2 Ų54.23%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-140122.5-177.7-178-99.3000110.5W66 H70 G110 K111 I113 V146 N149 I150 E153W66-Y108 HydrophobicContact CH2-CD2 4.01Å; W66-Y108 HydrophobicContact CH2-CE2 4.32Å; W66-Y108 AromaticContact CZ2-CD2 3.81Å; W66-Y108 HydrophobicContact CZ2-CD2 3.81Å; W66-Y108 AromaticContact CZ2-CE2 3.74Å; W66-Y108 HydrophobicContact CZ2-CE2 3.74Å; H70-Y108 AromaticContact CE1-CD2 3.85Å; H70-Y108 AromaticContact NE2-CD2 3.8Å; Y108-G110 PolarHBondContact O-N 3.48Å; Y108-G110 VanDerWaalsContact O-N 3.1Å; Y108-K111 PolarHBondContact N-O 2.91Å; Y108-K111 PolarHBondContact O-N 3.4Å; Y108-I113 HydrophobicContact CD1-CD1 4.15Å; Y108-I113 HydrophobicContact CG-CD1 4.37Å; Y108-V146 HydrophobicContact CD1-CG1 3.89Å; Y108-V146 HydrophobicContact CE1-CG1 4.06Å; Y108-N149 WeakPolarHBondContact OH-CB 3.33Å; Y108-I150 HydrophobicContact CD1-CD1 3.9Å; Y108-I150 HydrophobicContact CD1-CG1 3.94Å; Y108-I150 HydrophobicContact CD2-CG1 4.43Å; Y108-I150 HydrophobicContact CE1-CD1 4.03Å; Y108-I150 HydrophobicContact CE1-CG1 3.59Å; Y108-I150 HydrophobicContact CE2-CG1 4.13Å; Y108-I150 HydrophobicContact CG-CD1 4.29Å; Y108-I150 HydrophobicContact CG-CG1 4.34Å; Y108-E153 WeakPolarHBondContact CE2-OE2 3.49Å; Y108-E153 VanDerWaalsContact OH-CD 3.28Å; Y108-E153 PolarHBondContact OH-OE1 3.26Å
109R87.7Confident89.6Confident165 Ų16559.7 Ų59.762%0.62329%0.285SS*.THydrogen-bonded Turntrans43.245.6179.4-59.9-172.2-175.9-167.86114.1N149 E153R109-N149 PolarHBondContact NH1-ND2 3.35Å; R109-E153 IonicContact CZ-OE1 3.32Å; R109-E153 IonicContact NE-OE1 3.04Å; R109-E153 IonicContact NH2-OE1 3.82Å; R109-E153 PolarHBondContact NH2-OE1 2.83Å
110G86.3Confident89.2Confident48 Ų4864 Ų6450%0.49531%0.305SS..THydrogen-bonded Turntrans82.98.1177.200000115.6W107 Y108W107-G110 WeakPolarHBondContact CH2-O 3.49Å; Y108-G110 PolarHBondContact O-N 3.48Å; Y108-G110 VanDerWaalsContact O-N 3.1Å
111K87.8Confident88.3Confident68 Ų6870.7 Ų70.730%0.29634%0.336SS..EExtended strand (participates in β ladder)trans-124141.8178.8-60.3-175.6-171.4179.70111.4Y108 V146Y108-K111 PolarHBondContact N-O 2.91Å; Y108-K111 PolarHBondContact O-N 3.4Å; K111-V146 HydrophobicContact CD-CG2 4.27Å
112W89.5Confident87.2Confident152 Ų15276.8 Ų76.858%0.57636%0.359SS*.EExtended strand (participates in β ladder)trans-78.7127.5165.6-74108000109.7F105 W107F105-W112 HydrophobicContact CB-CE3 4.28Å; F105-W112 HydrophobicContact CB-CZ3 4.35Å; W107-W112 HydrophobicContact CB-CE3 4.49Å; W107-W112 HydrophobicContact CB-CZ3 4.3Å; W107-W112 AromaticContact CE3-CD1 3.73Å; W107-W112 AromaticContact CE3-CD2 3.59Å; W107-W112 HydrophobicContact CE3-CD2 3.59Å; W107-W112 AromaticContact CE3-CE2 3.42Å; W107-W112 VanDerWaalsContact CE3-CE2 3.42Å; W107-W112 HydrophobicContact CE3-CE3 4.24Å; W107-W112 AromaticContact CE3-CG 3.77Å; W107-W112 HydrophobicContact CE3-CG 3.77Å; W107-W112 AromaticContact CE3-CZ2 3.93Å; W107-W112 HydrophobicContact CE3-CZ2 3.93Å; W107-W112 AromaticContact CE3-NE1 3.5Å; W107-W112 AromaticContact CZ3-CD1 3.4Å; W107-W112 HydrophobicContact CZ3-CD2 4.1Å; W107-W112 AromaticContact CZ3-CE2 3.71Å; W107-W112 AromaticContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CZ2 4.42Å; W107-W112 AromaticContact CZ3-NE1 3.25Å
113I91.4Very high86.1Confident0 Ų080.2 Ų80.20%037%0.368CS..EExtended strand (participates in β ladder)trans-119.3124.6174.8-51.7179000107.4I106 Y108 V115 F137 A139 V146 F147 I150I106-I113 HydrophobicContact CD1-CB 4.28Å; I106-I113 HydrophobicContact CG1-CB 3.78Å; I106-I113 HydrophobicContact CG1-CG2 4.48Å; I106-I113 PolarHBondContact N-O 2.66Å; I106-I113 PolarHBondContact O-N 3.1Å; Y108-I113 HydrophobicContact CD1-CD1 4.15Å; Y108-I113 HydrophobicContact CG-CD1 4.37Å; I113-V115 HydrophobicContact CG2-CG2 4.46Å; I113-F137 HydrophobicContact CG2-CB 4.17Å; I113-F137 HydrophobicContact CG2-CD1 4Å; I113-A139 HydrophobicContact CG1-CB 4.09Å; I113-A139 HydrophobicContact CG2-CB 4.4Å; I113-V146 HydrophobicContact CD1-CG1 3.93Å; I113-F147 HydrophobicContact CG2-CE1 4.36Å; I113-I150 HydrophobicContact CD1-CD1 3.61Å
114R91.4Very high85.2Confident62 Ų6282.1 Ų82.123%0.23438%0.377CS..EExtended strand (participates in β ladder)trans-84.3128170.5177.8-179.8172-153.1-7.9108.2N103 H104 F105 E116 F137 T138N103-R114 PolarHBondContact ND2-NH2 3.05Å; N103-R114 PolarHBondContact OD1-NE 3.35Å; N103-R114 VanDerWaalsContact OD1-NE 3.09Å; N103-R114 PolarHBondContact OD1-NH2 3.38Å; H104-R114 WeakPolarHBondContact O-CA 3.43Å; F105-R114 HydrophobicContact CD1-CB 4.04Å; F105-R114 HydrophobicContact CD1-CG 4.39Å; F105-R114 HydrophobicContact CE1-CB 3.8Å; F105-R114 HydrophobicContact CE1-CG 3.9Å; F105-R114 HydrophobicContact CZ-CG 4.23Å; R114-E116 IonicContact CZ-OE2 2.75Å; R114-E116 IonicContact NE-OE2 3.26Å; R114-E116 VanDerWaalsContact NH2-CD 3.31Å; R114-E116 IonicContact NH2-OE1 3.45Å; R114-E116 PolarHBondContact NH2-OE1 3.46Å; R114-E116 IonicContact NH2-OE2 3.49Å; R114-E116 PolarHBondContact NH2-OE2 3.44Å; R114-F137 CarbonylContact O-C 3.43Å; R114-F137 WeakPolarHBondContact O-CA 3.48Å; R114-T138 PolarHBondContact N-O 3.08Å; R114-T138 PolarHBondContact O-N 3.38Å
115V92.3Very high84Confident3 Ų382.1 Ų82.12%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-114.3121.7176.6-174.20000107.7L67 N103 H104 I106 I113 V135 T136 F137L67-V115 HydrophobicContact CD1-CG1 3.91Å; L67-V115 HydrophobicContact CD2-CG1 4.47Å; L67-V115 HydrophobicContact CD2-CG2 4.13Å; N103-V115 CarbonylContact C-O 3.58Å; H104-V115 HydrophobicContact CB-CB 4.34Å; H104-V115 PolarHBondContact N-O 3.46Å; H104-V115 PolarHBondContact O-N 3.13Å; I106-V115 HydrophobicContact CD1-CG2 3.87Å; I106-V115 HydrophobicContact CG1-CG2 4.02Å; I106-V115 HydrophobicContact CG2-CG2 4.4Å; I113-V115 HydrophobicContact CG2-CG2 4.46Å; V115-V135 HydrophobicContact CG1-CG1 3.71Å; V115-T136 CarbonylContact C-O 3.49Å; V115-T136 WeakPolarHBondContact CA-O 3.41Å; V115-F137 HydrophobicContact CG1-CD1 4.39Å; V115-F137 HydrophobicContact CG1-CE1 4.12Å; V115-F137 HydrophobicContact CG1-CZ 4.18Å; V115-F137 HydrophobicContact CG2-CD1 3.6Å; V115-F137 HydrophobicContact CG2-CE1 3.62Å; V115-F137 HydrophobicContact CG2-CG 4.44Å; V115-F137 HydrophobicContact CG2-CZ 4.48Å
116E92.4Very high82.9Confident65 Ų6584 Ų8430%0.30439%0.393SS..EExtended strand (participates in β ladder)trans-118.4115.2-179.7-179.3161-156.800108.9G102 N103 R114 V135 T136G102-E116 WeakPolarHBondContact O-CA 3.42Å; N103-E116 WeakPolarHBondContact OD1-CB 3.43Å; N103-E116 VanDerWaalsContact OD1-CD 3.24Å; N103-E116 WeakPolarHBondContact OD1-CG 3.42Å; N103-E116 PolarHBondContact OD1-OE1 3.02Å; R114-E116 IonicContact CZ-OE2 2.75Å; R114-E116 IonicContact NE-OE2 3.26Å; R114-E116 VanDerWaalsContact NH2-CD 3.31Å; R114-E116 IonicContact NH2-OE1 3.45Å; R114-E116 PolarHBondContact NH2-OE1 3.46Å; R114-E116 IonicContact NH2-OE2 3.49Å; R114-E116 PolarHBondContact NH2-OE2 3.44Å; E116-V135 CarbonylContact O-C 3.55Å; E116-V135 WeakPolarHBondContact O-CA 3.49Å; E116-T136 PolarHBondContact N-O 3.19Å; E116-T136 PolarHBondContact O-N 2.96Å
117R91.4Very high81.7Confident18 Ų1892.2 Ų92.27%0.06843%0.431CS..EExtended strand (participates in β ladder)trans-95.9110.1172.2-179179.1175.5-163.61.9108.3Y60 S78 P99 G102 E133 S134 V135Y60-R117 PolarHBondContact OH-NE 2.95Å; Y60-R117 VanDerWaalsContact OH-NE 3.13Å; S78-R117 PolarHBondContact OG-NH1 3.44Å; P99-R117 WeakPolarHBondContact O-CD 3.18Å; P99-R117 PolarHBondContact O-NH1 2.99Å; G102-R117 PolarHBondContact N-O 3.13Å; G102-R117 PolarHBondContact O-N 3.38Å; R117-E133 IonicContact CZ-OE2 3.43Å; R117-E133 IonicContact NE-OE2 2.72Å; R117-E133 PolarHBondContact NE-OE2 2.91Å; R117-E133 IonicContact NH2-OE1 3.6Å; R117-E133 IonicContact NH2-OE2 2.77Å; R117-E133 PolarHBondContact NH2-OE2 3.18Å; R117-S134 WeakPolarHBondContact CA-O 3.39Å; R117-V135 HydrophobicContact CB-CG2 4.07Å; R117-V135 HydrophobicContact CG-CG2 4Å
118S89.4Confident80.5Confident47 Ų4789.6 Ų89.633%0.32943%0.43SS..EExtended strand (participates in β ladder)trans-99.9146.1178-170.70000110.7E133 S134S118-E133 WeakPolarHBondContact O-CA 3.47Å; S118-S134 PolarHBondContact N-O 3.26Å; S118-S134 PolarHBondContact O-N 3.17Å
119R84.8Confident79.6Confident122 Ų12292 Ų9246%0.4646%0.457SS..EExtended strand (participates in β ladder)trans-131.2113.2173.6-173.5174.5-167.8-164.13108.4P131 W132 E133R119-P131 HydrophobicContact CG-CB 3.87Å; R119-W132 CarbonylContact C-O 3.55Å; R119-W132 WeakPolarHBondContact CA-O 3.3Å; R119-E133 HydrophobicContact CB-CG 4.1Å; R119-E133 WeakPolarHBondContact CD-OE1 3.41Å; R119-E133 HydrophobicContact CG-CG 3.8Å; R119-E133 IonicContact CZ-OE1 3.91Å; R119-E133 IonicContact NE-OE1 3.3Å; R119-E133 PolarHBondContact NE-OE1 3.28Å
120E80.7Confident78.8Confident95 Ų9587.5 Ų87.544%0.44445%0.448SS..EExtended strand (participates in β ladder)trans-90.3115.3178.6-66.1-170.5169.600110.1Q122 P131 W132E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 3.39Å; E120-P131 WeakPolarHBondContact O-CB 3.1Å; E120-W132 HydrophobicContact CB-CB 4.36Å; E120-W132 PolarHBondContact N-O 2.76Å
121M68.8Low78.3Confident162 Ų16286.4 Ų86.480%0.79843%0.432SS*.EExtended strand (participates in β ladder)trans-75.5-15.6-176.5-69.2-176.4136.600114.2
122Q68Low77.9Confident190 Ų19086.2 Ų86.289%0.88843%0.43SS*.EExtended strand (participates in β ladder)trans-88.6-21.5-172.3-66.4-176.9-3.500113.5E120E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 3.39Å
123M66.6Low77.8Confident103 Ų10380.1 Ų80.151%0.50741%0.408SS..EExtended strand (participates in β ladder)trans-112.7112.9178.5-64.2-142.9-67.800109.4W132M123-W132 HydrophobicContact CB-CB 4.29Å; M123-W132 PolarHBondContact O-N 3.29Å
124I71.1Confident77.8Confident116 Ų11680.5 Ų80.560%0.59541%0.41SS*.EExtended strand (participates in β ladder)trans-98.7129.3173.5-58.8174.2000107.2L126I124-L126 PolarHBondContact O-N 3.38Å
125D64.5Low78Confident21 Ų2177.6 Ų77.611%0.11240%0.4CS..  trans-70.8124.7173.8-174.844.6000110R56 Q127 T128 G129 T130R56-D125 IonicContact CZ-OD1 2.84Å; R56-D125 IonicContact NE-OD1 3.49Å; R56-D125 PolarHBondContact NE-OD1 2.87Å; R56-D125 IonicContact NH2-OD1 2.75Å; R56-D125 PolarHBondContact NH2-OD1 3.11Å; D125-Q127 PolarHBondContact O-N 3.42Å; D125-Q127 VanDerWaalsContact O-N 3.16Å; D125-T128 PolarHBondContact O-N 3.32Å; D125-T128 PolarHBondContact OD2-OG1 3.31Å; D125-T128 VanDerWaalsContact OD2-OG1 3.04Å; D125-G129 WeakPolarHBondContact O-CA 3.48Å; D125-G129 PolarHBondContact O-N 3.49Å; D125-T130 PolarHBondContact N-O 2.99Å
126L66.1Low78Confident175 Ų17578.8 Ų78.892%0.91641%0.407SS*.THydrogen-bonded Turntrans-64-24.5-170.9-155.383.3000112.8I124I124-L126 PolarHBondContact O-N 3.38Å
127Q65.7Low78.1Confident180 Ų18075.7 Ų75.784%0.84139%0.392SS*.THydrogen-bonded Turntrans-88.6-38.7-176.6-67.9-175.8-14.200113.3D125D125-Q127 PolarHBondContact O-N 3.42Å; D125-Q127 VanDerWaalsContact O-N 3.16Å
128T65.7Low78.1Confident83 Ų8376 Ų7651%0.50940%0.396SS..THydrogen-bonded Turntrans-102.7-15.7-174.1570000113.1D125 T130D125-T128 PolarHBondContact O-N 3.32Å; D125-T128 PolarHBondContact OD2-OG1 3.31Å; D125-T128 VanDerWaalsContact OD2-OG1 3.04Å; T128-T130 PolarHBondContact O-N 3.36Å; T128-T130 VanDerWaalsContact O-N 3.12Å; T128-T130 PolarHBondContact OG1-N 3.31Å; T128-T130 PolarHBondContact OG1-OG1 3.11Å
129G69.6Low78.2Confident57 Ų5774.1 Ų74.159%0.58838%0.383SS*.  trans63.811.4-172.100000112.9D125D125-G129 WeakPolarHBondContact O-CA 3.48Å; D125-G129 PolarHBondContact O-N 3.49Å
130T71.3Confident78.4Confident70 Ų7073 Ų7343%0.42939%0.386SS..PPolyproline II helixtrans-93.4144.3179.164.10000110.2D125 T128D125-T130 PolarHBondContact N-O 2.99Å; T128-T130 PolarHBondContact O-N 3.36Å; T128-T130 VanDerWaalsContact O-N 3.12Å; T128-T130 PolarHBondContact OG1-N 3.31Å; T128-T130 PolarHBondContact OG1-OG1 3.11Å
131P75.9Confident78.6Confident25 Ų2570 Ų7016%0.16238%0.38CS..EExtended strand (participates in β ladder)trans-60.7148.7171.1-22.936.4000110.3R119 E120 E133R119-P131 HydrophobicContact CG-CB 3.87Å; E120-P131 WeakPolarHBondContact O-CB 3.1Å; P131-E133 PolarHBondContact O-N 2.85Å
132W79.7Confident79.2Confident64 Ų6467.8 Ų67.824%0.24238%0.377CS..EExtended strand (participates in β ladder)trans-59.1123.8175.8-172.4-82.3000110.6P54 R56 R119 E120 M123P54-W132 HydrophobicContact CB-CZ2 3.98Å; R56-W132 HydrophobicContact CG-CH2 4.41Å; R56-W132 HydrophobicContact CG-CZ3 4.37Å; R119-W132 CarbonylContact C-O 3.55Å; R119-W132 WeakPolarHBondContact CA-O 3.3Å; E120-W132 HydrophobicContact CB-CB 4.36Å; E120-W132 PolarHBondContact N-O 2.76Å; M123-W132 HydrophobicContact CB-CB 4.29Å; M123-W132 PolarHBondContact O-N 3.29Å
133E87.8Confident80Confident25 Ų2562.1 Ų62.112%0.11735%0.352CS..EExtended strand (participates in β ladder)trans-118.4144.3176.5-70.5-174.7-177.400110.3A55 Y60 R117 S118 R119 P131A55-E133 HydrophobicContact CB-CB 3.9Å; A55-E133 WeakPolarHBondContact CB-O 3.37Å; A55-E133 PolarHBondContact N-O 2.75Å; Y60-E133 PolarHBondContact OH-OE2 2.99Å; R117-E133 IonicContact CZ-OE2 3.43Å; R117-E133 IonicContact NE-OE2 2.72Å; R117-E133 PolarHBondContact NE-OE2 2.91Å; R117-E133 IonicContact NH2-OE1 3.6Å; R117-E133 IonicContact NH2-OE2 2.77Å; R117-E133 PolarHBondContact NH2-OE2 3.18Å; S118-E133 WeakPolarHBondContact O-CA 3.47Å; R119-E133 HydrophobicContact CB-CG 4.1Å; R119-E133 WeakPolarHBondContact CD-OE1 3.41Å; R119-E133 HydrophobicContact CG-CG 3.8Å; R119-E133 IonicContact CZ-OE1 3.91Å; R119-E133 IonicContact NE-OE1 3.3Å; R119-E133 PolarHBondContact NE-OE1 3.28Å; P131-E133 PolarHBondContact O-N 2.85Å
134S91.8Very high81Confident7 Ų765.9 Ų65.95%0.04936%0.361CS..EExtended strand (participates in β ladder)trans-142.9149.9170.269.30000111E52 V53 R117 S118E52-S134 WeakPolarHBondContact OE1-CB 3.22Å; E52-S134 PolarHBondContact OE1-OG 2.91Å; E52-S134 VanDerWaalsContact OE1-OG 3.11Å; V53-S134 WeakPolarHBondContact O-CA 3.31Å; R117-S134 WeakPolarHBondContact CA-O 3.39Å; S118-S134 PolarHBondContact N-O 3.26Å; S118-S134 PolarHBondContact O-N 3.17Å
135V93.6Very high81.9Confident2 Ų267.1 Ų67.11%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-113.2125.2172.3170.80000108.4V53 Y60 L64 V115 E116 R117 F137V53-V135 PolarHBondContact N-O 3.03Å; V53-V135 PolarHBondContact O-N 2.75Å; Y60-V135 HydrophobicContact CD2-CB 4.43Å; Y60-V135 HydrophobicContact CD2-CG2 4.1Å; Y60-V135 HydrophobicContact CE2-CB 4.17Å; Y60-V135 HydrophobicContact CE2-CG2 3.46Å; Y60-V135 VanDerWaalsContact CE2-CG2 3.46Å; L64-V135 HydrophobicContact CD2-CG2 3.94Å; V115-V135 HydrophobicContact CG1-CG1 3.71Å; E116-V135 CarbonylContact O-C 3.55Å; E116-V135 WeakPolarHBondContact O-CA 3.49Å; R117-V135 HydrophobicContact CB-CG2 4.07Å; R117-V135 HydrophobicContact CG-CG2 4Å; V135-F137 HydrophobicContact CG1-CD2 3.9Å; V135-F137 HydrophobicContact CG1-CE2 3.38Å; V135-F137 HydrophobicContact CG1-CZ 4.03Å
136T94.2Very high83.2Confident27 Ų2766.8 Ų66.817%0.16636%0.36CS..EExtended strand (participates in β ladder)trans-112.5121.7179.2-58.30000110.4L51 V115 E116L51-T136 CarbonylContact O-C 3.6Å; L51-T136 VanDerWaalsContact O-CA 3.31Å; L51-T136 WeakPolarHBondContact O-CA 3.42Å; V115-T136 CarbonylContact C-O 3.49Å; V115-T136 WeakPolarHBondContact CA-O 3.41Å; E116-T136 PolarHBondContact N-O 3.19Å; E116-T136 PolarHBondContact O-N 2.96Å
137F93.1Very high84.4Confident1 Ų159 Ų590%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-98.3123172-67.8-102.8000109.6T50 L51 L63 W66 L67 I106 I113 R114 V115 V135 F147T50-F137 CarbonylContact C-O 3.58Å; T50-F137 VanDerWaalsContact CA-O 3.23Å; T50-F137 WeakPolarHBondContact CA-O 3.02Å; L51-F137 HydrophobicContact CB-CB 4.43Å; L51-F137 PolarHBondContact N-O 3.36Å; L51-F137 PolarHBondContact O-N 2.98Å; L63-F137 HydrophobicContact CD1-CE2 4.04Å; L63-F137 HydrophobicContact CD2-CE2 4.27Å; L63-F137 HydrophobicContact CD2-CZ 4.09Å; W66-F137 HydrophobicContact CZ3-CE1 4.4Å; L67-F137 HydrophobicContact CD1-CE1 4.42Å; L67-F137 HydrophobicContact CD1-CZ 3.91Å; L67-F137 HydrophobicContact CD2-CE1 4Å; L67-F137 HydrophobicContact CD2-CZ 4.25Å; L67-F137 HydrophobicContact CG-CE1 4.44Å; L67-F137 HydrophobicContact CG-CZ 4.21Å; I106-F137 HydrophobicContact CD1-CE1 4.29Å; I113-F137 HydrophobicContact CG2-CB 4.17Å; I113-F137 HydrophobicContact CG2-CD1 4Å; R114-F137 CarbonylContact O-C 3.43Å; R114-F137 WeakPolarHBondContact O-CA 3.48Å; V115-F137 HydrophobicContact CG1-CD1 4.39Å; V115-F137 HydrophobicContact CG1-CE1 4.12Å; V115-F137 HydrophobicContact CG1-CZ 4.18Å; V115-F137 HydrophobicContact CG2-CD1 3.6Å; V115-F137 HydrophobicContact CG2-CE1 3.62Å; V115-F137 HydrophobicContact CG2-CG 4.44Å; V115-F137 HydrophobicContact CG2-CZ 4.48Å; V135-F137 HydrophobicContact CG1-CD2 3.9Å; V135-F137 HydrophobicContact CG1-CE2 3.38Å; V135-F137 HydrophobicContact CG1-CZ 4.03Å; F137-F147 HydrophobicContact CB-CD1 4.16Å; F137-F147 HydrophobicContact CB-CE1 3.59Å; F137-F147 HydrophobicContact CB-CZ 4.21Å
138T92.3Very high85.7Confident23 Ų2356.6 Ų56.614%0.14131%0.306CS..EExtended strand (participates in β ladder)trans-118.3119.4176.5-52.80000109.7M48 I49 T50 R114M48-T138 HydrophobicContact CB-CG2 4.14Å; M48-T138 HydrophobicContact CG-CG2 4.47Å; M48-T138 HydrophobicContact SD-CG2 3.98Å; I49-T138 WeakPolarHBondContact O-CA 3.37Å; T50-T138 HydrophobicContact CG2-CG2 3.95Å; R114-T138 PolarHBondContact N-O 3.08Å; R114-T138 PolarHBondContact O-N 3.38Å
139A91.4Very high87Confident8 Ų854.9 Ų54.97%0.06629%0.294CS..EExtended strand (participates in β ladder)trans-120.4151.217800000111.1M48 I49 I113 F147M48-A139 VanDerWaalsContact CA-O 3.32Å; M48-A139 WeakPolarHBondContact CA-O 3.21Å; I49-A139 PolarHBondContact N-O 3.37Å; I49-A139 VanDerWaalsContact N-O 3.09Å; I49-A139 PolarHBondContact O-N 2.64Å; I113-A139 HydrophobicContact CG1-CB 4.09Å; I113-A139 HydrophobicContact CG2-CB 4.4Å; A139-F147 HydrophobicContact CB-CE1 4.17Å; A139-F147 HydrophobicContact CB-CZ 3.73Å
140L88.4Confident88.1Confident98 Ų9852.3 Ų52.351%0.51327%0.267SS..EExtended strand (participates in β ladder)trans-75.8135.1170-76.5169000110.7F43 M48F43-L140 HydrophobicContact CZ-CD2 4.3Å; M48-L140 HydrophobicContact CE-CD2 3.61Å; M48-L140 HydrophobicContact CE-CG 4.46Å; M48-L140 HydrophobicContact CG-CD2 4.06Å
141G84.4Confident89.2Confident32 Ų3251.3 Ų51.333%0.3326%0.259SS..SBendtrans105.6-178.7178.500000113.8Y47 I49Y47-G141 PolarHBondContact O-N 3.13Å; I49-G141 WeakPolarHBondContact CG1-O 2.99Å
142T82.1Confident90.1Very high117 Ų11754.8 Ų54.872%0.71827%0.273SS*.SBendtrans-112.28-173.352.10000113.9I49 R144I49-T142 VanDerWaalsContact CD1-O 3.26Å; I49-T142 WeakPolarHBondContact CD1-O 3.21Å; T142-R144 PolarHBondContact O-N 3.1Å
143D85.1Confident90.7Very high71 Ų7154.2 Ų54.238%0.3827%0.273SS..  trans-89.3101.7-178.4-174.113.5000112.6K145D143-K145 PolarHBondContact O-N 2.91Å; D143-K145 WeakPolarHBondContact OD1-CB 3.33Å; D143-K145 VanDerWaalsContact OD1-CG 3.27Å; D143-K145 WeakPolarHBondContact OD1-CG 3.06Å; D143-K145 PolarHBondContact OD1-N 3.47Å
144R87.6Confident91Very high181 Ų18153.1 Ų53.168%0.68327%0.267SS*.THydrogen-bonded Turntrans-66.4-18.5174.161.7-177.8169.4174.8-3.7114.3T142 V146 F147 F148T142-R144 PolarHBondContact O-N 3.1Å; R144-V146 PolarHBondContact O-N 3.28Å; R144-F147 PolarHBondContact O-N 3.32Å; R144-F147 VanDerWaalsContact O-N 3.14Å; R144-F148 HydrophobicContact CG-CE2 4.29Å; R144-F148 WeakPolarHBondContact O-CD2 3.42Å; R144-F148 PolarHBondContact O-N 3.43Å
145K90.2Very high90.9Very high143 Ų14357.8 Ų57.862%0.62228%0.284SS*.Hα-helixtrans-61.1-27.8-179-64.8178.8178-176.80112.1D143 F147 F148 N149D143-K145 PolarHBondContact O-N 2.91Å; D143-K145 WeakPolarHBondContact OD1-CB 3.33Å; D143-K145 VanDerWaalsContact OD1-CG 3.27Å; D143-K145 WeakPolarHBondContact OD1-CG 3.06Å; D143-K145 PolarHBondContact OD1-N 3.47Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 PolarHBondContact O-N 3.16Å; K145-F148 PolarHBondContact O-N 3.21Å; K145-N149 PolarHBondContact O-N 3.06Å; K145-N149 PolarHBondContact O-ND2 3.04Å
146V91Very high90.7Very high13 Ų1361.9 Ų61.98%0.07930%0.303CS..Hα-helixtrans-57.1-45.3176.4-178.80000111.1Y108 K111 I113 R144 N149 I150Y108-V146 HydrophobicContact CD1-CG1 3.89Å; Y108-V146 HydrophobicContact CE1-CG1 4.06Å; K111-V146 HydrophobicContact CD-CG2 4.27Å; I113-V146 HydrophobicContact CD1-CG1 3.93Å; R144-V146 PolarHBondContact O-N 3.28Å; V146-N149 PolarHBondContact O-N 3.06Å; V146-I150 HydrophobicContact CG1-CD1 4.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 2.9Å
147F92Very high90.5Very high12 Ų1261.2 Ų61.25%0.05330%0.298CS..Hα-helixtrans-74.3-35-178.9-64-45.3000113.1I49 L51 I113 F137 A139 R144 K145 N149 I150 L151I49-F147 HydrophobicContact CB-CE2 3.86Å; I49-F147 HydrophobicContact CG2-CD2 4.08Å; I49-F147 HydrophobicContact CG2-CE2 3.54Å; L51-F147 HydrophobicContact CB-CD1 4.32Å; L51-F147 HydrophobicContact CB-CD2 3.95Å; L51-F147 HydrophobicContact CB-CE2 4.2Å; L51-F147 HydrophobicContact CB-CG 4.02Å; L51-F147 HydrophobicContact CD2-CB 3.93Å; L51-F147 HydrophobicContact CD2-CD1 4.44Å; L51-F147 HydrophobicContact CD2-CG 4.19Å; I113-F147 HydrophobicContact CG2-CE1 4.36Å; F137-F147 HydrophobicContact CB-CD1 4.16Å; F137-F147 HydrophobicContact CB-CE1 3.59Å; F137-F147 HydrophobicContact CB-CZ 4.21Å; A139-F147 HydrophobicContact CB-CE1 4.17Å; A139-F147 HydrophobicContact CB-CZ 3.73Å; R144-F147 PolarHBondContact O-N 3.32Å; R144-F147 VanDerWaalsContact O-N 3.14Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 PolarHBondContact O-N 3.16Å; F147-N149 VanDerWaalsContact C-N 3.33Å; F147-N149 PolarHBondContact O-N 3.24Å; F147-I150 HydrophobicContact CD1-CD1 4.35Å; F147-I150 PolarHBondContact O-N 3.01Å; F147-L151 WeakPolarHBondContact O-CG 3.42Å; F147-L151 PolarHBondContact O-N 3.35Å
148F92.3Very high90.1Very high130 Ų13061.8 Ų61.857%0.5730%0.304SS*.Hα-helixtrans-58.8-45.8171.8-79-71.2000111.5R144 K145 I150 L151 E152R144-F148 HydrophobicContact CG-CE2 4.29Å; R144-F148 WeakPolarHBondContact O-CD2 3.42Å; R144-F148 PolarHBondContact O-N 3.43Å; K145-F148 PolarHBondContact O-N 3.21Å; F148-I150 VanDerWaalsContact C-N 3.34Å; F148-I150 PolarHBondContact O-N 2.82Å; F148-L151 PolarHBondContact O-N 3.44Å; F148-E152 WeakPolarHBondContact O-CB 3.4Å; F148-E152 PolarHBondContact O-N 3.1Å
149N93.3Very high89.6Confident46 Ų4665 Ų6525%0.24632%0.319CS..Hα-helixtrans-62.7-40177.5-62.1-28.6000112.2Y108 R109 K145 V146 F147 E152 E153Y108-N149 WeakPolarHBondContact OH-CB 3.33Å; R109-N149 PolarHBondContact NH1-ND2 3.35Å; K145-N149 PolarHBondContact O-N 3.06Å; K145-N149 PolarHBondContact O-ND2 3.04Å; V146-N149 PolarHBondContact O-N 3.06Å; F147-N149 VanDerWaalsContact C-N 3.33Å; F147-N149 PolarHBondContact O-N 3.24Å; N149-E152 PolarHBondContact O-N 3Å; N149-E153 WeakPolarHBondContact O-CB 3.44Å; N149-E153 WeakPolarHBondContact O-CG 3.49Å; N149-E153 PolarHBondContact O-N 3.48Å
150I93.5Very high89.1Confident3 Ų371.5 Ų71.52%0.01535%0.349CS..Hα-helixtrans-63.8-45.2176.8-69.1170.2000110.8L63 W66 Y108 I113 V146 F147 F148 E152 A154L63-I150 HydrophobicContact CD2-CG2 3.73Å; W66-I150 HydrophobicContact CD2-CG2 4.27Å; W66-I150 HydrophobicContact CE3-CG2 3.93Å; W66-I150 HydrophobicContact CH2-CB 4.43Å; W66-I150 HydrophobicContact CH2-CD1 4.19Å; W66-I150 HydrophobicContact CH2-CG1 3.9Å; W66-I150 HydrophobicContact CH2-CG2 3.79Å; W66-I150 HydrophobicContact CZ2-CG1 4.12Å; W66-I150 HydrophobicContact CZ2-CG2 4.12Å; W66-I150 HydrophobicContact CZ3-CG2 3.68Å; Y108-I150 HydrophobicContact CD1-CD1 3.9Å; Y108-I150 HydrophobicContact CD1-CG1 3.94Å; Y108-I150 HydrophobicContact CD2-CG1 4.43Å; Y108-I150 HydrophobicContact CE1-CD1 4.03Å; Y108-I150 HydrophobicContact CE1-CG1 3.59Å; Y108-I150 HydrophobicContact CE2-CG1 4.13Å; Y108-I150 HydrophobicContact CG-CD1 4.29Å; Y108-I150 HydrophobicContact CG-CG1 4.34Å; I113-I150 HydrophobicContact CD1-CD1 3.61Å; V146-I150 HydrophobicContact CG1-CD1 4.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 2.9Å; F147-I150 HydrophobicContact CD1-CD1 4.35Å; F147-I150 PolarHBondContact O-N 3.01Å; F148-I150 VanDerWaalsContact C-N 3.34Å; F148-I150 PolarHBondContact O-N 2.82Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 3.39Å; I150-A154 VanDerWaalsContact O-CB 3.27Å; I150-A154 WeakPolarHBondContact O-CB 3.3Å; I150-A154 PolarHBondContact O-N 3.31Å
151L93.7Very high88.4Confident50 Ų5072.3 Ų72.326%0.26235%0.35SS..Hα-helixtrans-63.1-39.6177.2-74.3167.6000111.7L51 L63 F147 F148 A154 R155L51-L151 HydrophobicContact CD2-CD1 4.01Å; L51-L151 HydrophobicContact CD2-CG 4.31Å; L63-L151 HydrophobicContact CD1-CD2 3.84Å; L63-L151 HydrophobicContact CD2-CD2 4.1Å; L63-L151 HydrophobicContact CG-CD2 4.2Å; F147-L151 WeakPolarHBondContact O-CG 3.42Å; F147-L151 PolarHBondContact O-N 3.35Å; F148-L151 PolarHBondContact O-N 3.44Å; L151-A154 PolarHBondContact O-N 3Å; L151-R155 WeakPolarHBondContact O-CB 3.42Å; L151-R155 PolarHBondContact O-N 3.16Å
152E93.8Very high87.8Confident98 Ų9877.6 Ų77.646%0.45837%0.366SS..Hα-helixtrans-66.9-47.5177.7-173.2165.1-145.300111.8F148 N149 I150 A154 R155 E156F148-E152 WeakPolarHBondContact O-CB 3.4Å; F148-E152 PolarHBondContact O-N 3.1Å; N149-E152 PolarHBondContact O-N 3Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 3.39Å; E152-A154 VanDerWaalsContact C-N 3.31Å; E152-A154 PolarHBondContact O-N 3.08Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 3.14Å; E152-E156 WeakPolarHBondContact O-CG 3.3Å; E152-E156 PolarHBondContact O-N 2.89Å
153E94.2Very high87.2Confident52 Ų5278 Ų7824%0.24336%0.359CS..Hα-helixtrans-60.8-39.3174.6-73.8176-155.900111.9W66 Y108 R109 N149 E156 L157W66-E153 PolarHBondContact NE1-OE2 3.02Å; Y108-E153 WeakPolarHBondContact CE2-OE2 3.49Å; Y108-E153 VanDerWaalsContact OH-CD 3.28Å; Y108-E153 PolarHBondContact OH-OE1 3.26Å; R109-E153 IonicContact CZ-OE1 3.32Å; R109-E153 IonicContact NE-OE1 3.04Å; R109-E153 IonicContact NH2-OE1 3.82Å; R109-E153 PolarHBondContact NH2-OE1 2.83Å; N149-E153 WeakPolarHBondContact O-CB 3.44Å; N149-E153 WeakPolarHBondContact O-CG 3.49Å; N149-E153 PolarHBondContact O-N 3.48Å; E153-E156 PolarHBondContact O-N 3.02Å; E153-L157 WeakPolarHBondContact O-CB 3.38Å; E153-L157 PolarHBondContact O-N 3.19Å
154A92.8Very high86.7Confident1 Ų175.8 Ų75.81%0.00835%0.353CS..Hα-helixtrans-66.4-41.5176.100000112.1W62 L63 W66 I150 L151 E152 L157 A158W62-A154 HydrophobicContact CB-CB 4.23Å; L63-A154 HydrophobicContact CD2-CB 3.98Å; L63-A154 HydrophobicContact CG-CB 4.4Å; W66-A154 HydrophobicContact CB-CB 3.69Å; W66-A154 HydrophobicContact CG-CB 4Å; I150-A154 VanDerWaalsContact O-CB 3.27Å; I150-A154 WeakPolarHBondContact O-CB 3.3Å; I150-A154 PolarHBondContact O-N 3.31Å; L151-A154 PolarHBondContact O-N 3Å; E152-A154 VanDerWaalsContact C-N 3.31Å; E152-A154 PolarHBondContact O-N 3.08Å; A154-L157 PolarHBondContact O-N 2.77Å; A154-A158 WeakPolarHBondContact O-CB 3.27Å; A154-A158 PolarHBondContact O-N 3.32Å
155R90.9Very high86.6Confident105 Ų10573.2 Ų73.240%0.39635%0.347SS..Hα-helixtrans-62.9-45.3174.3-175.7-16468.496.92.2111.2W62 L151 E152 A158 L159W62-R155 HydrophobicContact CE3-CB 4.24Å; W62-R155 HydrophobicContact CE3-CG 4.39Å; W62-R155 HydrophobicContact CZ3-CB 4.36Å; W62-R155 HydrophobicContact CZ3-CG 4.08Å; L151-R155 WeakPolarHBondContact O-CB 3.42Å; L151-R155 PolarHBondContact O-N 3.16Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 3.14Å; R155-A158 PolarHBondContact O-N 3.02Å; R155-L159 HydrophobicContact CG-CD1 3.89Å; R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 2.98Å
156E89.5Confident86.6Confident88 Ų8866.7 Ų66.741%0.41132%0.319SS..Hα-helixtrans-61.9-43.4177.3-75.2178.9178.900111.8E152 E153 A158 L159 Q160E152-E156 WeakPolarHBondContact O-CG 3.3Å; E152-E156 PolarHBondContact O-N 2.89Å; E153-E156 PolarHBondContact O-N 3.02Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.17Å; E156-L159 PolarHBondContact O-N 2.94Å; E156-Q160 WeakPolarHBondContact O-CB 3.43Å; E156-Q160 VanDerWaalsContact O-CG 3.26Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 3.34Å
157L88.6Confident86.7Confident13 Ų1368.1 Ų68.17%0.06833%0.328CS..Hα-helixtrans-60.1-43.1175.1175.864.1000111.8W66 R69 E153 A154 Q160 Q161W66-L157 HydrophobicContact CB-CD2 4.05Å; R69-L157 HydrophobicContact CB-CD2 4.42Å; E153-L157 WeakPolarHBondContact O-CB 3.38Å; E153-L157 PolarHBondContact O-N 3.19Å; A154-L157 PolarHBondContact O-N 2.77Å; L157-Q160 PolarHBondContact O-N 3.21Å; L157-Q161 PolarHBondContact O-N 3.36Å
158A85.1Confident86.8Confident14 Ų1468 Ų6812%0.11633%0.327CS..Hα-helixtrans-65.5-45.1177.700000111.9W62 A154 R155 E156 Q160 Q161 E162W62-A158 HydrophobicContact CB-CB 4.16Å; W62-A158 HydrophobicContact CD2-CB 4.1Å; W62-A158 HydrophobicContact CG-CB 3.62Å; A154-A158 WeakPolarHBondContact O-CB 3.27Å; A154-A158 PolarHBondContact O-N 3.32Å; R155-A158 PolarHBondContact O-N 3.02Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.17Å; A158-Q160 VanDerWaalsContact C-N 3.3Å; A158-Q160 PolarHBondContact O-N 2.81Å; A158-Q161 PolarHBondContact O-N 3.37Å; A158-Q161 VanDerWaalsContact O-N 3.12Å; A158-E162 PolarHBondContact O-N 2.76Å
159L82Confident86.9Confident90 Ų9064.2 Ų64.247%0.47131%0.31SS..Hα-helixtrans-64.5-32.1177-74.4166.7000112.8R155 E156 Q161 E162R155-L159 HydrophobicContact CG-CD1 3.89Å; R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 2.98Å; E156-L159 PolarHBondContact O-N 2.94Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-E162 VanDerWaalsContact O-O 3.12Å
160Q80.9Confident87Confident145 Ų14564.2 Ų64.268%0.67831%0.312SS*.Hα-helixtrans-69.4-29.5173.9-76.4174.99.900112.9E156 L157 A158E156-Q160 WeakPolarHBondContact O-CB 3.43Å; E156-Q160 VanDerWaalsContact O-CG 3.26Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 3.34Å; L157-Q160 PolarHBondContact O-N 3.21Å; A158-Q160 VanDerWaalsContact C-N 3.3Å; A158-Q160 PolarHBondContact O-N 2.81Å
161Q73.1Confident86.9Confident115 Ų11565 Ų6554%0.53732%0.318SS..Hα-helixtrans-80.6-32.5176.5-73-170.30.800112.4L157 A158 L159 E163L157-Q161 PolarHBondContact O-N 3.36Å; A158-Q161 PolarHBondContact O-N 3.37Å; A158-Q161 VanDerWaalsContact O-N 3.12Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; Q161-E163 PolarHBondContact O-N 2.83Å; Q161-E163 VanDerWaalsContact O-N 3.15Å
162E71.3Confident86.7Confident142 Ų14266.8 Ų66.866%0.66433%0.331SS*.SBendtrans-78.593.7172.8-72.9-169.616900110.3A158 L159 G164A158-E162 PolarHBondContact O-N 2.76Å; L159-E162 VanDerWaalsContact O-O 3.12Å; E162-G164 PolarHBondContact O-N 2.86Å
163E70Confident86.4Confident126 Ų12664 Ų6459%0.58933%0.328SS*.  trans-57.2110.1161.9-78-176.7176.600108.4Q161 K165 R184Q161-E163 PolarHBondContact O-N 2.83Å; Q161-E163 VanDerWaalsContact O-N 3.15Å; E163-K165 PolarHBondContact O-N 3.48Å; E163-R184 IonicContact OE2-CZ 3.99Å; E163-R184 IonicContact OE2-NE 3.41Å; E163-R184 PolarHBondContact OE2-NE 3.01Å
164G74.8Confident86.1Confident24 Ų2464.2 Ų64.225%0.24734%0.336CS..  trans-55.1138.1174.300000110.5E162 R185E162-G164 PolarHBondContact O-N 2.86Å; G164-R185 VanDerWaalsContact C-NE 3.34Å; G164-R185 VanDerWaalsContact O-CD 3.25Å; G164-R185 WeakPolarHBondContact O-CD 3.47Å; G164-R185 WeakPolarHBondContact O-CG 3.49Å; G164-R185 PolarHBondContact O-NE 3.36Å
165K86.3Confident86.1Confident128 Ų12869 Ų6956%0.55736%0.358SS*.EExtended strand (participates in β ladder)trans-115.3143.3-179.8-60.6-178.4-172170.30109.9E163 P182 R183E163-K165 PolarHBondContact O-N 3.48Å; K165-P182 HydrophobicContact CB-CB 3.58Å; K165-P182 HydrophobicContact CD-CB 3.8Å; K165-P182 HydrophobicContact CG-CB 4.31Å; K165-R183 CarbonylContact C-O 3.46Å; K165-R183 VanDerWaalsContact CA-O 3.25Å; K165-R183 WeakPolarHBondContact CA-O 3.37Å; K165-R183 WeakPolarHBondContact CB-O 3.22Å
166T88.9Confident86.2Confident5 Ų565.1 Ų65.13%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-88.9116.7173.2-550000108.6R183 A244 I251T166-R183 PolarHBondContact N-O 3.3Å; T166-R183 PolarHBondContact O-N 3.03Å; T166-A244 HydrophobicContact CG2-CB 4.39Å; T166-I251 HydrophobicContact CG2-CD1 4.07Å; T166-I251 HydrophobicContact CG2-CG1 4.04Å
167V93.1Very high86.4Confident44 Ų4467.4 Ų67.427%0.26735%0.348SS..PPolyproline II helixtrans-82.1130.8174.3-175.20000108.7Y169 P182 S250 I251V167-Y169 HydrophobicContact CB-CE2 4.09Å; V167-Y169 HydrophobicContact CG1-CD2 4.19Å; V167-Y169 HydrophobicContact CG1-CE2 3.6Å; V167-P182 HydrophobicContact CG2-CB 4.29Å; V167-P182 HydrophobicContact CG2-CG 4.32Å; V167-S250 WeakPolarHBondContact O-CA 3.27Å; V167-S250 WeakPolarHBondContact O-CB 3.33Å; V167-I251 PolarHBondContact O-N 3.29Å
168M94.6Very high86.6Confident8 Ų870.9 Ų70.94%0.03937%0.372CS..EExtended strand (participates in β ladder)trans-100134.1174.5-63.2-64.3-15400108.9P178 F179 R183 T241 I251 L253M168-P178 CarbonylContact O-C 3.48Å; M168-P178 WeakPolarHBondContact O-CA 3.33Å; M168-F179 PolarHBondContact O-N 3.09Å; M168-R183 HydrophobicContact CG-CG 4.49Å; M168-T241 HydrophobicContact CE-CG2 4.07Å; M168-I251 CarbonylContact C-O 3.57Å; M168-I251 HydrophobicContact CE-CD1 3.97Å; M168-I251 HydrophobicContact SD-CB 3.69Å; M168-I251 HydrophobicContact SD-CD1 3.92Å; M168-I251 HydrophobicContact SD-CG1 4.2Å; M168-I251 HydrophobicContact SD-CG2 4.29Å; M168-L253 HydrophobicContact SD-CD1 4.47Å
169Y95.5Very high86.9Confident52 Ų5275.5 Ų75.520%0.20439%0.389CS..EExtended strand (participates in β ladder)trans-114.7144172.1-67.2-90.9000109.8V167 W176 R177 P178 I251 L253 P274V167-Y169 HydrophobicContact CB-CE2 4.09Å; V167-Y169 HydrophobicContact CG1-CD2 4.19Å; V167-Y169 HydrophobicContact CG1-CE2 3.6Å; Y169-W176 HydrophobicContact CD1-CB 4.22Å; Y169-R177 WeakPolarHBondContact CA-O 3.3Å; Y169-P178 HydrophobicContact CD1-CG 4.28Å; Y169-P178 HydrophobicContact CE1-CG 3.85Å; Y169-I251 PolarHBondContact N-O 3.37Å; Y169-L253 PolarHBondContact O-N 2.95Å; Y169-P274 HydrophobicContact CD1-CG 4.17Å; Y169-P274 HydrophobicContact CD2-CG 4.23Å; Y169-P274 HydrophobicContact CE1-CG 4.13Å; Y169-P274 HydrophobicContact CE2-CB 4.4Å; Y169-P274 HydrophobicContact CE2-CG 4.21Å; Y169-P274 HydrophobicContact CG-CG 4.22Å
170T94.3Very high87.2Confident46 Ų4674.1 Ų74.128%0.28240%0.397SS..EExtended strand (participates in β ladder)trans-125.9152.8170.5-168.70000109.7V172 R177 F179T170-V172 HydrophobicContact CG2-CG2 4.01Å; T170-R177 PolarHBondContact N-O 3.31Å; T170-R177 PolarHBondContact O-N 2.8Å; T170-F179 HydrophobicContact CG2-CB 3.8Å; T170-F179 HydrophobicContact CG2-CD2 3.97Å; T170-F179 HydrophobicContact CG2-CG 4.14Å
171A91.9Very high87.5Confident18 Ų1876.7 Ų76.715%0.14940%0.401CS..EExtended strand (participates in β ladder)trans-79.1119.2176.200000110.3W176 L254 L269A171-W176 HydrophobicContact CB-CZ3 4.36Å; A171-L254 HydrophobicContact CB-CD1 3.96Å; A171-L269 HydrophobicContact CB-CD1 3.67Å; A171-L269 HydrophobicContact CB-CD2 3.86Å; A171-L269 HydrophobicContact CB-CG 4.44Å
172V88.9Confident88.3Confident88 Ų8874.1 Ų74.153%0.53340%0.395SS..EExtended strand (participates in β ladder)trans-119.8106.7173.1-177.90000107.7T170 S174 E175 R177T170-V172 HydrophobicContact CG2-CG2 4.01Å; V172-S174 PolarHBondContact O-N 3.39Å; V172-E175 PolarHBondContact N-O 3.4Å; V172-E175 PolarHBondContact O-N 3.49Å; V172-R177 HydrophobicContact CB-CG 4.06Å; V172-R177 HydrophobicContact CG2-CB 4.06Å; V172-R177 HydrophobicContact CG2-CG 4.15Å
173G87.7Confident89Confident39 Ų3973.6 Ų73.640%0.40239%0.387SS..THydrogen-bonded Turntrans56.5-137.7-164.300000110.2E175 R265G173-E175 VanDerWaalsContact C-N 3.29Å; G173-E175 PolarHBondContact O-N 3.22Å; G173-R265 VanDerWaalsContact N-NH2 3.2Å; G173-R265 PolarHBondContact O-NE 3.03Å; G173-R265 PolarHBondContact O-NH2 2.89Å
174S88.3Confident89.9Confident57 Ų5776.7 Ų76.740%0.39939%0.393SS..THydrogen-bonded Turntrans-86.39.7-177.5-54.70000114.5V172 H268V172-S174 PolarHBondContact O-N 3.39Å; S174-H268 PolarHBondContact O-CE1 3.45Å; S174-H268 PolarHBondContact O-ND1 2.7Å
175E92.5Very high90.6Very high101 Ų10179.6 Ų79.647%0.47240%0.397SS..EExtended strand (participates in β ladder)trans-122.3154.2-176.2-65.6-175.6171.500113.1V172 G173 R177V172-E175 PolarHBondContact N-O 3.4Å; V172-E175 PolarHBondContact O-N 3.49Å; G173-E175 VanDerWaalsContact C-N 3.29Å; G173-E175 PolarHBondContact O-N 3.22Å; E175-R177 IonicContact OE2-CZ 3.47Å; E175-R177 IonicContact OE2-NE 3.75Å; E175-R177 PolarHBondContact OE2-NE 3.04Å; E175-R177 IonicContact OE2-NH2 3.54Å; E175-R177 PolarHBondContact OE2-NH2 2.86Å
176W93.9Very high90.7Very high25 Ų2577.3 Ų77.310%0.09539%0.385CS..EExtended strand (participates in β ladder)trans-85.3126.8169.8-66.7103.5000110.8Y169 A171 C252 L254 L269 V272 P274Y169-W176 HydrophobicContact CD1-CB 4.22Å; A171-W176 HydrophobicContact CB-CZ3 4.36Å; W176-C252 HydrophobicContact CD2-CB 4.44Å; W176-C252 HydrophobicContact CE3-CB 4.03Å; W176-C252 HydrophobicContact CH2-CB 3.58Å; W176-C252 HydrophobicContact CZ2-CB 4.03Å; W176-C252 HydrophobicContact CZ3-CB 3.58Å; W176-L254 HydrophobicContact CH2-CB 4.18Å; W176-L254 HydrophobicContact CH2-CD1 4.43Å; W176-L269 HydrophobicContact CD2-CD2 4.45Å; W176-L269 HydrophobicContact CZ2-CB 4.15Å; W176-L269 HydrophobicContact CZ2-CD2 4.48Å; W176-L269 PolarHBondContact NE1-O 2.73Å; W176-V272 VanDerWaalsContact CD1-O 3.31Å; W176-P274 HydrophobicContact CB-CG 4.25Å; W176-P274 HydrophobicContact CG-CG 4.4Å
177R93.5Very high90.8Very high136 Ų13680.6 Ų80.651%0.51341%0.406SS..EExtended strand (participates in β ladder)trans-122138.9174.6-64.4-66.9179.2152.1-4.9110.2Y169 T170 V172 E175 F179Y169-R177 WeakPolarHBondContact CA-O 3.3Å; T170-R177 PolarHBondContact N-O 3.31Å; T170-R177 PolarHBondContact O-N 2.8Å; V172-R177 HydrophobicContact CB-CG 4.06Å; V172-R177 HydrophobicContact CG2-CB 4.06Å; V172-R177 HydrophobicContact CG2-CG 4.15Å; E175-R177 IonicContact OE2-CZ 3.47Å; E175-R177 IonicContact OE2-NE 3.75Å; E175-R177 PolarHBondContact OE2-NE 3.04Å; E175-R177 IonicContact OE2-NH2 3.54Å; E175-R177 PolarHBondContact OE2-NH2 2.86Å; R177-F179 PolarHBondContact O-N 3.44Å
178P92Very high90.7Very high86 Ų8680 Ų8056%0.55840%0.401SS*.EExtended strand (participates in β ladder)trans-56.1131.8171.9-23.332.9000110.5M168 Y169M168-P178 CarbonylContact O-C 3.48Å; M168-P178 WeakPolarHBondContact O-CA 3.33Å; Y169-P178 HydrophobicContact CD1-CG 4.28Å; Y169-P178 HydrophobicContact CE1-CG 3.85Å
179F91.2Very high90.5Very high110 Ų11084.7 Ų84.748%0.48243%0.426SS..  trans-110.2111.3-179.1-178.3-107.4000111M168 T170 R177M168-F179 PolarHBondContact O-N 3.09Å; T170-F179 HydrophobicContact CG2-CB 3.8Å; T170-F179 HydrophobicContact CG2-CD2 3.97Å; T170-F179 HydrophobicContact CG2-CG 4.14Å; R177-F179 PolarHBondContact O-N 3.44Å
180G89.6Confident90.4Very high61 Ų6184.3 Ų84.363%0.62943%0.431SS*.SBendtrans68-168-177.500000113.1
181Y86.4Confident90.4Very high199 Ų19982.8 Ų82.878%0.7842%0.422SS*.SBendtrans-78147.7176.9-62.1-73.1000111.2R183Y181-R183 PolarHBondContact O-N 2.97Å
182P88.7Confident90.5Very high62 Ų6282.6 Ų82.640%0.40342%0.419SS..PPolyproline II helixtrans-52.9126.1171.5-2634.6000110.7K165 V167K165-P182 HydrophobicContact CB-CB 3.58Å; K165-P182 HydrophobicContact CD-CB 3.8Å; K165-P182 HydrophobicContact CG-CB 4.31Å; V167-P182 HydrophobicContact CG2-CB 4.29Å; V167-P182 HydrophobicContact CG2-CG 4.32Å
183R87.9Confident90.8Very high131 Ų13178.6 Ų78.649%0.49439%0.394SS..EExtended strand (participates in β ladder)trans-84.9146.1-174.3-60.6-170.9-178.9-165.11.4109.6K165 T166 M168 Y181 R185K165-R183 CarbonylContact C-O 3.46Å; K165-R183 VanDerWaalsContact CA-O 3.25Å; K165-R183 WeakPolarHBondContact CA-O 3.37Å; K165-R183 WeakPolarHBondContact CB-O 3.22Å; T166-R183 PolarHBondContact N-O 3.3Å; T166-R183 PolarHBondContact O-N 3.03Å; M168-R183 HydrophobicContact CG-CG 4.49Å; Y181-R183 PolarHBondContact O-N 2.97Å; R183-R185 PolarHBondContact O-N 3.41Å
184R88.1Confident91.2Very high190 Ų19080.2 Ų80.272%0.71739%0.391SS*.EExtended strand (participates in β ladder)trans-58.8138169-71.5-172.6171.81681109.1E163 R186E163-R184 IonicContact OE2-CZ 3.99Å; E163-R184 IonicContact OE2-NE 3.41Å; E163-R184 PolarHBondContact OE2-NE 3.01Å; R184-R186 PolarHBondContact O-N 3.47Å
185R88.6Confident91.5Very high85 Ų8584.3 Ų84.332%0.32140%0.404SS..PPolyproline II helixtrans-56.5129.5175.1-75.2170.7-175.6-173.47.5108.9G164 R183 P187 G245 E248G164-R185 VanDerWaalsContact C-NE 3.34Å; G164-R185 VanDerWaalsContact O-CD 3.25Å; G164-R185 WeakPolarHBondContact O-CD 3.47Å; G164-R185 WeakPolarHBondContact O-CG 3.49Å; G164-R185 PolarHBondContact O-NE 3.36Å; R183-R185 PolarHBondContact O-N 3.41Å; R185-P187 WeakPolarHBondContact O-CD 3.44Å; R185-G245 WeakPolarHBondContact CD-O 3.5Å; R185-G245 PolarHBondContact NE-O 2.81Å; R185-E248 IonicContact CZ-OE1 3.89Å; R185-E248 VanDerWaalsContact CZ-OE1 3.26Å; R185-E248 IonicContact NH1-OE1 3.35Å; R185-E248 PolarHBondContact NH1-OE1 3.25Å; R185-E248 IonicContact NH2-OE1 3.79Å; R185-E248 PolarHBondContact NH2-OE1 3.46Å
186R88.6Confident91.5Very high81 Ų8180.9 Ų80.931%0.30640%0.396SS..PPolyproline II helixtrans-82.8118.4171.7179.6170.9-172.9171.1-0.4107.1R184 L188 S190 S238 A242R184-R186 PolarHBondContact O-N 3.47Å; R186-L188 PolarHBondContact O-N 3.32Å; R186-S190 WeakPolarHBondContact CG-OG 3.5Å; R186-S190 PolarHBondContact NE-OG 3.36Å; R186-S238 PolarHBondContact NH1-OG 3.44Å; R186-A242 HydrophobicContact CB-CB 4.19Å; R186-A242 HydrophobicContact CG-CB 4.07Å; R186-A242 WeakPolarHBondContact O-CA 3.34Å; R186-A242 WeakPolarHBondContact O-CB 3.43Å
187P90.9Very high91.6Very high74 Ų7480.2 Ų80.248%0.48139%0.394SS..PPolyproline II helixtrans-55.8135.6178-27.937.2000110.9R185 N189 S190R185-P187 WeakPolarHBondContact O-CD 3.44Å; P187-N189 WeakPolarHBondContact CB-OD1 3.34Å; P187-N189 PolarHBondContact O-N 3.49Å; P187-S190 VanDerWaalsContact O-CB 3.25Å; P187-S190 WeakPolarHBondContact O-CB 3.43Å; P187-S190 PolarHBondContact O-N 2.73Å; P187-S190 PolarHBondContact O-OG 2.91Å
188L91.3Very high91.7Very high31 Ų3174.7 Ų74.716%0.16238%0.378CS..G310 helixtrans-57.2-39.9-179.1-170.368.1000111.7R186 S190 V191 V202 F239 A242 L243 E246R186-L188 PolarHBondContact O-N 3.32Å; L188-S190 PolarHBondContact O-N 3.37Å; L188-S190 VanDerWaalsContact O-N 3.11Å; L188-V191 PolarHBondContact O-N 3.34Å; L188-V202 HydrophobicContact CD2-CG2 3.67Å; L188-F239 HydrophobicContact CD1-CD2 4.13Å; L188-F239 HydrophobicContact CD1-CE2 3.69Å; L188-F239 HydrophobicContact CD1-CZ 4.41Å; L188-A242 HydrophobicContact CD1-CB 4.13Å; L188-L243 HydrophobicContact CD1-CB 4.41Å; L188-E246 HydrophobicContact CD2-CG 4.5Å
189N91.1Very high91.8Very high106 Ų10675 Ų7557%0.56738%0.375SS*.G310 helixtrans-63.1-15.4176.267.6-1.5000113.8P187 V191 R367P187-N189 WeakPolarHBondContact CB-OD1 3.34Å; P187-N189 PolarHBondContact O-N 3.49Å; N189-V191 VanDerWaalsContact C-N 3.25Å; N189-V191 PolarHBondContact O-N 2.79Å; N189-R367 PolarHBondContact O-NE 2.87Å; N189-R367 PolarHBondContact O-NH2 3.23Å
190S92.4Very high92.1Very high44 Ų4475.9 Ų75.931%0.30838%0.375SS..G310 helixtrans-74.8-15177.174.60000113.3R186 P187 L188R186-S190 WeakPolarHBondContact CG-OG 3.5Å; R186-S190 PolarHBondContact NE-OG 3.36Å; P187-S190 VanDerWaalsContact O-CB 3.25Å; P187-S190 WeakPolarHBondContact O-CB 3.43Å; P187-S190 PolarHBondContact O-N 2.73Å; P187-S190 PolarHBondContact O-OG 2.91Å; L188-S190 PolarHBondContact O-N 3.37Å; L188-S190 VanDerWaalsContact O-N 3.11Å
191V94.3Very high92.4Very high14 Ų1473 Ų739%0.08535%0.345CS..SBendtrans-105.3107.4177-174.30000108.5L188 N189 L193 F239 A242L188-V191 PolarHBondContact O-N 3.34Å; N189-V191 VanDerWaalsContact C-N 3.25Å; N189-V191 PolarHBondContact O-N 2.79Å; V191-L193 HydrophobicContact CG1-CD2 3.94Å; V191-L193 HydrophobicContact CG1-CG 4.19Å; V191-L193 PolarHBondContact O-N 3.23Å; V191-F239 HydrophobicContact CG1-CB 3.97Å; V191-F239 HydrophobicContact CG1-CD2 4.43Å; V191-A242 HydrophobicContact CG2-CB 4.02Å
192V95.6Very high92.9Very high14 Ų1465.1 Ų65.19%0.08532%0.317CS..  trans-92.493.5-175.9-168.50000110.1W359 Q360 Q363 M364 R367V192-W359 HydrophobicContact CG1-CZ3 3.97Å; V192-Q360 HydrophobicContact CG1-CB 4.29Å; V192-Q360 HydrophobicContact CG1-CG 4.17Å; V192-Q360 PolarHBondContact O-NE2 2.76Å; V192-Q363 HydrophobicContact CG1-CB 3.58Å; V192-M364 HydrophobicContact CB-CG 3.78Å; V192-M364 HydrophobicContact CG1-CG 4.14Å; V192-M364 HydrophobicContact CG2-CG 3.8Å; V192-R367 VanDerWaalsContact CG2-CZ 3.46Å
193L94.9Very high93.3Very high5 Ų569.5 Ų69.53%0.02633%0.326CS..  trans-87.7-178.5171.6-59.1-169.6000111.2V191 L197 F239 V353 W359 Q360V191-L193 HydrophobicContact CG1-CD2 3.94Å; V191-L193 HydrophobicContact CG1-CG 4.19Å; V191-L193 PolarHBondContact O-N 3.23Å; L193-L197 HydrophobicContact CB-CD2 4.25Å; L193-L197 HydrophobicContact CD1-CD2 4.17Å; L193-L197 HydrophobicContact CD1-CG 4.36Å; L193-F239 HydrophobicContact CD1-CB 4.05Å; L193-F239 HydrophobicContact CD1-CD1 4.14Å; L193-F239 HydrophobicContact CD1-CD2 3.46Å; L193-F239 VanDerWaalsContact CD1-CD2 3.46Å; L193-F239 HydrophobicContact CD1-CE2 3.89Å; L193-F239 HydrophobicContact CD1-CG 3.6Å; L193-F239 HydrophobicContact CD1-CZ 4.39Å; L193-F239 HydrophobicContact CG-CD2 4.14Å; L193-V353 HydrophobicContact CD2-CG1 3.86Å; L193-W359 WeakPolarHBondContact O-CZ3 3.34Å; L193-Q360 VanDerWaalsContact C-NE2 3.31Å; L193-Q360 VanDerWaalsContact O-CG 3.22Å; L193-Q360 WeakPolarHBondContact O-CG 3.3Å
194Q95Very high93.7Very high72 Ų7264.8 Ų64.834%0.33631%0.31SS..SBendtrans-62154172.9-69.9178.4-100111.5G196 L197 Q360Q194-G196 PolarHBondContact O-N 3.14Å; Q194-L197 HydrophobicContact CB-CB 4.5Å; Q194-L197 WeakPolarHBondContact O-CB 3.3Å; Q194-L197 PolarHBondContact O-N 3.41Å; Q194-Q360 VanDerWaalsContact CG-OE1 3.29Å
195Q94.7Very high94.1Very high143 Ų14355.7 Ų55.767%0.66828%0.276SS*.THydrogen-bonded Turntrans-58.4129.3-176.3-168.7177.66.300111.3L197 W359Q195-L197 PolarHBondContact O-N 3.43Å; Q195-W359 HydrophobicContact CB-CD2 3.88Å; Q195-W359 HydrophobicContact CB-CE3 4.14Å; Q195-W359 HydrophobicContact CB-CG 4.29Å; Q195-W359 HydrophobicContact CB-CZ2 4.29Å; Q195-W359 HydrophobicContact CB-CZ3 4.47Å; Q195-W359 HydrophobicContact CG-CD2 4.35Å; Q195-W359 HydrophobicContact CG-CZ2 4.07Å
196G93.8Very high94.4Very high29 Ų2955.1 Ų55.130%0.29928%0.277SS..THydrogen-bonded Turntrans77.6-8.7178.800000115.9Q194 R200Q194-G196 PolarHBondContact O-N 3.14Å; G196-R200 WeakPolarHBondContact O-CB 3.4Å; G196-R200 PolarHBondContact O-N 2.8Å; G196-R200 VanDerWaalsContact O-N 3.13Å
197L95.5Very high94.7Very high11 Ų1157.3 Ų57.36%0.05829%0.291CS..Hα-helixtrans-68.6-48.8179.2176.756.1000111.8L193 Q194 Q195 D199 R200 I201 E351 Y352 V353L193-L197 HydrophobicContact CB-CD2 4.25Å; L193-L197 HydrophobicContact CD1-CD2 4.17Å; L193-L197 HydrophobicContact CD1-CG 4.36Å; Q194-L197 HydrophobicContact CB-CB 4.5Å; Q194-L197 WeakPolarHBondContact O-CB 3.3Å; Q194-L197 PolarHBondContact O-N 3.41Å; Q195-L197 PolarHBondContact O-N 3.43Å; L197-D199 PolarHBondContact O-N 2.95Å; L197-R200 PolarHBondContact O-N 2.83Å; L197-I201 HydrophobicContact CD1-CD1 3.96Å; L197-I201 HydrophobicContact CD1-CG1 4.4Å; L197-I201 HydrophobicContact CG-CD1 4.27Å; L197-I201 PolarHBondContact O-N 3.47Å; L197-E351 HydrophobicContact CD1-CB 3.79Å; L197-E351 HydrophobicContact CD1-CG 3.76Å; L197-E351 WeakPolarHBondContact CD1-OE2 3.38Å; L197-Y352 WeakPolarHBondContact CD2-O 3.49Å; L197-V353 HydrophobicContact CD2-CG2 4.18Å
198A94.9Very high94.9Very high20 Ų2054 Ų5417%0.16527%0.269CS..Hα-helixtrans-58.3-48.5177.600000111.3R200 I201 V202 F239A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 3.39Å; A198-I201 PolarHBondContact O-N 3.03Å; A198-V202 VanDerWaalsContact O-CG2 3.27Å; A198-V202 WeakPolarHBondContact O-CG2 3.45Å; A198-V202 PolarHBondContact O-N 3.49Å; A198-F239 HydrophobicContact CB-CE2 3.72Å; A198-F239 HydrophobicContact CB-CZ 4.22Å
199D95.4Very high95Very high93 Ų9354.8 Ų54.850%0.49727%0.273SS..Hα-helixtrans-63.4-34.1-178.5-54.6-37.4000112.5L197 R203L197-D199 PolarHBondContact O-N 2.95Å; D199-R203 VanDerWaalsContact O-CB 3.31Å; D199-R203 WeakPolarHBondContact O-CB 3.24Å; D199-R203 VanDerWaalsContact O-CG 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.41Å; D199-R203 PolarHBondContact O-N 3.4Å; D199-R203 PolarHBondContact O-NE 3.06Å
200R96.7Very high95.1Very high129 Ų12954.5 Ų54.549%0.48727%0.271SS..Hα-helixtrans-65.7-48.2175.5-172.4-170.3-67.9167.80.7111.3G196 L197 A198 R203 D204 E351G196-R200 WeakPolarHBondContact O-CB 3.4Å; G196-R200 PolarHBondContact O-N 2.8Å; G196-R200 VanDerWaalsContact O-N 3.13Å; L197-R200 PolarHBondContact O-N 2.83Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 3.39Å; R200-R203 PolarHBondContact O-N 3.47Å; R200-D204 PolarHBondContact O-N 2.87Å; R200-E351 WeakPolarHBondContact CD-OE1 3.47Å; R200-E351 IonicContact CZ-OE1 3.75Å; R200-E351 IonicContact NE-OE1 3.85Å; R200-E351 IonicContact NH1-OE1 3.75Å; R200-E351 PolarHBondContact NH1-OE1 3.09Å; R200-E351 IonicContact NH1-OE2 3.98Å; R200-E351 PolarHBondContact NH1-OE2 3.47Å
201I96.7Very high95.3Very high1 Ų155.9 Ų55.91%0.00528%0.275CS..Hα-helixtrans-66-44.5-180-61.2164.6000110.5L197 A198 R203 D204 V205 Y226 L228 F239 L243 F328 L349 E351L197-I201 HydrophobicContact CD1-CD1 3.96Å; L197-I201 HydrophobicContact CD1-CG1 4.4Å; L197-I201 HydrophobicContact CG-CD1 4.27Å; L197-I201 PolarHBondContact O-N 3.47Å; A198-I201 PolarHBondContact O-N 3.03Å; I201-R203 VanDerWaalsContact C-N 3.33Å; I201-R203 PolarHBondContact O-N 3.2Å; I201-D204 PolarHBondContact O-N 3.2Å; I201-V205 HydrophobicContact CG2-CG2 4.15Å; I201-V205 VanDerWaalsContact O-CG2 3.24Å; I201-V205 WeakPolarHBondContact O-CG2 3.44Å; I201-V205 PolarHBondContact O-N 2.96Å; I201-Y226 HydrophobicContact CG2-CD1 4.5Å; I201-L228 HydrophobicContact CD1-CD2 3.85Å; I201-F239 HydrophobicContact CB-CE1 4.13Å; I201-F239 HydrophobicContact CB-CZ 4.2Å; I201-F239 HydrophobicContact CD1-CD1 4.44Å; I201-F239 HydrophobicContact CD1-CE1 3.66Å; I201-F239 HydrophobicContact CD1-CZ 4.14Å; I201-F239 HydrophobicContact CG2-CE1 3.92Å; I201-F239 HydrophobicContact CG2-CZ 4.35Å; I201-L243 HydrophobicContact CG2-CD2 4.15Å; I201-F328 HydrophobicContact CG2-CE1 4.33Å; I201-F328 HydrophobicContact CG2-CZ 4.42Å; I201-L349 HydrophobicContact CG1-CD2 4.28Å; I201-E351 HydrophobicContact CD1-CB 4.31Å; I201-E351 HydrophobicContact CD1-CG 4.23Å; I201-E351 HydrophobicContact CG1-CG 4.09Å
202V96.3Very high95.2Very high32 Ų3257.8 Ų57.819%0.19429%0.288CS..Hα-helixtrans-58.9-45.4177.9171.80000111L188 A198 V205 Q206 L243L188-V202 HydrophobicContact CD2-CG2 3.67Å; A198-V202 VanDerWaalsContact O-CG2 3.27Å; A198-V202 WeakPolarHBondContact O-CG2 3.45Å; A198-V202 PolarHBondContact O-N 3.49Å; V202-V205 PolarHBondContact O-N 3.09Å; V202-Q206 VanDerWaalsContact O-CB 3.29Å; V202-Q206 WeakPolarHBondContact O-CB 3.3Å; V202-Q206 PolarHBondContact O-N 2.94Å; V202-L243 HydrophobicContact CG2-CD1 3.76Å
203R96.9Very high95.2Very high155 Ų15564 Ų6459%0.58531%0.314SS*.Hα-helixtrans-62-45177.4-77.5178.1-63.6-155.40.6112.5D199 R200 I201 V205 Q206 E207D199-R203 VanDerWaalsContact O-CB 3.31Å; D199-R203 WeakPolarHBondContact O-CB 3.24Å; D199-R203 VanDerWaalsContact O-CG 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.41Å; D199-R203 PolarHBondContact O-N 3.4Å; D199-R203 PolarHBondContact O-NE 3.06Å; R200-R203 PolarHBondContact O-N 3.47Å; I201-R203 VanDerWaalsContact C-N 3.33Å; I201-R203 PolarHBondContact O-N 3.2Å; R203-V205 PolarHBondContact O-N 3.41Å; R203-Q206 PolarHBondContact O-N 3.02Å; R203-E207 VanDerWaalsContact O-CB 3.26Å; R203-E207 WeakPolarHBondContact O-CB 3.46Å; R203-E207 PolarHBondContact O-N 2.7Å
204D96.8Very high95.3Very high31 Ų3169.5 Ų69.517%0.16633%0.334CS..Hα-helixtrans-62.9-42.5178.8-165.6-89.1000111.5R200 I201 E207 F208 R224 Y226 L349R200-D204 PolarHBondContact O-N 2.87Å; I201-D204 PolarHBondContact O-N 3.2Å; D204-E207 PolarHBondContact O-N 3.11Å; D204-F208 WeakPolarHBondContact O-CB 3.39Å; D204-F208 PolarHBondContact O-N 2.91Å; D204-R224 VanDerWaalsContact CG-NH2 3.32Å; D204-R224 IonicContact OD1-CZ 2.84Å; D204-R224 IonicContact OD1-NE 2.8Å; D204-R224 PolarHBondContact OD1-NE 3.19Å; D204-R224 IonicContact OD1-NH2 3.4Å; D204-R224 PolarHBondContact OD1-NH2 2.93Å; D204-R224 IonicContact OD2-CZ 3.42Å; D204-R224 IonicContact OD2-NH2 3.88Å; D204-R224 PolarHBondContact OD2-NH2 2.82Å; D204-Y226 HydrophobicContact CB-CE1 4.34Å; D204-Y226 WeakPolarHBondContact OD1-CE1 3.5Å; D204-Y226 PolarHBondContact OD1-OH 3.29Å; D204-L349 HydrophobicContact CB-CD2 4.12Å
205V95.4Very high95.2Very high0 Ų067.3 Ų67.30%032%0.323CS..Hα-helixtrans-66.7-43.7178.4178.70000111.4I201 V202 R203 F208 I209 Y226 L243 L247 I326 F328I201-V205 HydrophobicContact CG2-CG2 4.15Å; I201-V205 VanDerWaalsContact O-CG2 3.24Å; I201-V205 WeakPolarHBondContact O-CG2 3.44Å; I201-V205 PolarHBondContact O-N 2.96Å; V202-V205 PolarHBondContact O-N 3.09Å; R203-V205 PolarHBondContact O-N 3.41Å; V205-F208 WeakPolarHBondContact O-CB 3.28Å; V205-F208 PolarHBondContact O-N 3.44Å; V205-I209 HydrophobicContact CG1-CD1 3.82Å; V205-I209 HydrophobicContact CG1-CG1 4.47Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.47Å; V205-I209 PolarHBondContact O-N 3.21Å; V205-Y226 VanDerWaalsContact CA-OH 3.24Å; V205-Y226 WeakPolarHBondContact CA-OH 3.42Å; V205-Y226 HydrophobicContact CG2-CE1 3.83Å; V205-Y226 HydrophobicContact CG2-CE2 3.86Å; V205-Y226 WeakPolarHBondContact CG2-OH 3.44Å; V205-Y226 PolarHBondContact N-OH 3Å; V205-L243 HydrophobicContact CG2-CD2 4.36Å; V205-L247 HydrophobicContact CB-CD1 4.43Å; V205-L247 HydrophobicContact CG1-CD1 3.4Å; V205-L247 VanDerWaalsContact CG1-CD1 3.4Å; V205-L247 HydrophobicContact CG1-CD2 4.31Å; V205-I326 HydrophobicContact CG1-CD1 4.11Å; V205-F328 HydrophobicContact CG2-CZ 4.04Å
206Q94.9Very high95Very high73 Ų7365 Ų6534%0.34132%0.319SS..Hα-helixtrans-66-43178.5-16960.749.200111.2V202 R203 F208 I209 D210V202-Q206 VanDerWaalsContact O-CB 3.29Å; V202-Q206 WeakPolarHBondContact O-CB 3.3Å; V202-Q206 PolarHBondContact O-N 2.94Å; R203-Q206 PolarHBondContact O-N 3.02Å; Q206-F208 VanDerWaalsContact C-N 3.29Å; Q206-F208 PolarHBondContact O-N 3.48Å; Q206-I209 PolarHBondContact O-N 3.46Å; Q206-D210 WeakPolarHBondContact CG-OD2 3.4Å; Q206-D210 PolarHBondContact NE2-OD1 3.36Å; Q206-D210 PolarHBondContact NE2-OD2 2.88Å; Q206-D210 WeakPolarHBondContact O-CB 3.44Å; Q206-D210 VanDerWaalsContact O-CG 3.26Å; Q206-D210 PolarHBondContact O-N 2.8Å
207E96Very high95.1Very high127 Ų12768.7 Ų68.759%0.59333%0.332SS*.Hα-helixtrans-59.1-41.6174.2-176.3-179.8171.200111.5R203 D204 N211R203-E207 VanDerWaalsContact O-CB 3.26Å; R203-E207 WeakPolarHBondContact O-CB 3.46Å; R203-E207 PolarHBondContact O-N 2.7Å; D204-E207 PolarHBondContact O-N 3.11Å; E207-N211 WeakPolarHBondContact O-CB 3.31Å; E207-N211 PolarHBondContact O-N 3.22Å; E207-N211 PolarHBondContact O-ND2 3.39Å
208F94.1Very high95.1Very high5 Ų574.7 Ų74.72%0.02235%0.354CS..Hα-helixtrans-60.8-49.6174.6174.4-103.7000111.5D204 V205 Q206 D210 N211 Y215 Y222 R224 I326D204-F208 WeakPolarHBondContact O-CB 3.39Å; D204-F208 PolarHBondContact O-N 2.91Å; V205-F208 WeakPolarHBondContact O-CB 3.28Å; V205-F208 PolarHBondContact O-N 3.44Å; Q206-F208 VanDerWaalsContact C-N 3.29Å; Q206-F208 PolarHBondContact O-N 3.48Å; F208-D210 VanDerWaalsContact C-N 3.34Å; F208-D210 PolarHBondContact O-N 2.85Å; F208-N211 PolarHBondContact O-N 3.27Å; F208-Y215 AromaticContact CD2-CE2 3.87Å; F208-Y215 HydrophobicContact CD2-CE2 3.87Å; F208-Y215 AromaticContact CD2-CZ 3.78Å; F208-Y215 HydrophobicContact CE2-CE1 4.34Å; F208-Y215 HydrophobicContact CE2-CE2 4.14Å; F208-Y215 AromaticContact CE2-CZ 3.95Å; F208-Y222 HydrophobicContact CD1-CE2 4.41Å; F208-Y222 HydrophobicContact CD2-CD2 4.28Å; F208-Y222 AromaticContact CD2-CE2 3.8Å; F208-Y222 HydrophobicContact CD2-CE2 3.8Å; F208-Y222 AromaticContact CE1-CE2 3.99Å; F208-Y222 HydrophobicContact CE1-CE2 3.99Å; F208-Y222 AromaticContact CE1-CZ 3.97Å; F208-Y222 AromaticContact CE2-CD2 3.44Å; F208-Y222 HydrophobicContact CE2-CD2 3.44Å; F208-Y222 VanDerWaalsContact CE2-CD2 3.44Å; F208-Y222 AromaticContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CG 4.34Å; F208-Y222 HydrophobicContact CG-CE2 4.34Å; F208-Y222 HydrophobicContact CZ-CD1 4.47Å; F208-Y222 AromaticContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CE1 4.29Å; F208-Y222 AromaticContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CE2 3.43Å; F208-Y222 VanDerWaalsContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CG 4.16Å; F208-Y222 AromaticContact CZ-CZ 3.79Å; F208-Y222 WeakPolarHBondContact O-CE2 3.48Å; F208-Y222 PolarHBondContact O-OH 2.99Å; F208-R224 HydrophobicContact CB-CG 4.41Å; F208-R224 HydrophobicContact CD1-CB 3.93Å; F208-R224 HydrophobicContact CD2-CB 3.68Å; F208-R224 HydrophobicContact CD2-CG 4.09Å; F208-R224 HydrophobicContact CE1-CB 3.95Å; F208-R224 HydrophobicContact CE2-CB 3.69Å; F208-R224 HydrophobicContact CG-CB 3.79Å; F208-R224 HydrophobicContact CG-CG 4.09Å; F208-R224 HydrophobicContact CZ-CB 3.83Å; F208-I326 HydrophobicContact CD1-CD1 3.93Å; F208-I326 HydrophobicContact CD1-CG1 3.74Å; F208-I326 HydrophobicContact CE1-CD1 4.07Å; F208-I326 HydrophobicContact CE1-CG1 3.49Å; F208-I326 VanDerWaalsContact CE1-CG1 3.49Å
209I93Very high94.9Very high46 Ų4677 Ų7724%0.23638%0.38CS..Hα-helixtrans-62-39.8-178.8-69.7167.7000111.9V205 Q206 P212 Y222 L247 I326V205-I209 HydrophobicContact CG1-CD1 3.82Å; V205-I209 HydrophobicContact CG1-CG1 4.47Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.47Å; V205-I209 PolarHBondContact O-N 3.21Å; Q206-I209 PolarHBondContact O-N 3.46Å; I209-P212 WeakPolarHBondContact O-CD 3.39Å; I209-Y222 WeakPolarHBondContact CA-OH 3.36Å; I209-Y222 PolarHBondContact O-OH 3.13Å; I209-L247 HydrophobicContact CD1-CD1 4.37Å; I209-L247 HydrophobicContact CD1-CD2 4.09Å; I209-I326 HydrophobicContact CD1-CD1 4.14Å; I209-I326 HydrophobicContact CG1-CD1 4.02Å
210D94.9Very high94.6Very high100 Ų10076.2 Ų76.254%0.53537%0.374SS..Hα-helixtrans-80.6-15.5-174.6-68-23.4000113.4Q206 F208 P212Q206-D210 WeakPolarHBondContact CG-OD2 3.4Å; Q206-D210 PolarHBondContact NE2-OD1 3.36Å; Q206-D210 PolarHBondContact NE2-OD2 2.88Å; Q206-D210 WeakPolarHBondContact O-CB 3.44Å; Q206-D210 VanDerWaalsContact O-CG 3.26Å; Q206-D210 PolarHBondContact O-N 2.8Å; F208-D210 VanDerWaalsContact C-N 3.34Å; F208-D210 PolarHBondContact O-N 2.85Å; D210-P212 VanDerWaalsContact O-CD 3.3Å; D210-P212 WeakPolarHBondContact O-CD 3.42Å
211N95Very high94.3Very high73 Ų7372.9 Ų72.939%0.3937%0.369SS..  trans-116.446.3-174.6-66.5-71000115.5E207 F208 K213 W214 Y215E207-N211 WeakPolarHBondContact O-CB 3.31Å; E207-N211 PolarHBondContact O-N 3.22Å; E207-N211 PolarHBondContact O-ND2 3.39Å; F208-N211 PolarHBondContact O-N 3.27Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.28Å; N211-W214 HydrophobicContact CB-CB 4.37Å; N211-W214 PolarHBondContact O-N 3.19Å; N211-Y215 WeakPolarHBondContact O-CD2 3.36Å
212P93.8Very high94.1Very high55 Ų5574.1 Ų74.136%0.35737%0.374SS..Hα-helixtrans-62-38.7-179.725.5-33.3000112.5I209 D210 W214 Y215 T216 Y222I209-P212 WeakPolarHBondContact O-CD 3.39Å; D210-P212 VanDerWaalsContact O-CD 3.3Å; D210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-W214 VanDerWaalsContact C-N 3.27Å; P212-W214 PolarHBondContact O-N 2.99Å; P212-Y215 PolarHBondContact O-N 3.35Å; P212-T216 PolarHBondContact O-N 3.17Å; P212-T216 PolarHBondContact O-OG1 2.64Å; P212-Y222 HydrophobicContact CB-CD1 4.4Å; P212-Y222 HydrophobicContact CB-CE1 3.89Å; P212-Y222 HydrophobicContact CB-CE2 4.06Å
213K95.3Very high93.8Very high145 Ų14574.1 Ų74.163%0.6337%0.371SS*.Hα-helixtrans-60.5-35.3-178-177.1173.9178.8174.90112.8N211 Y215 T216 D217N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.28Å; K213-Y215 VanDerWaalsContact C-N 3.25Å; K213-Y215 PolarHBondContact O-N 3.01Å; K213-T216 PolarHBondContact O-N 2.97Å; K213-D217 VanDerWaalsContact CE-OD2 3.26Å; K213-D217 WeakPolarHBondContact CE-OD2 3.42Å; K213-D217 WeakPolarHBondContact CG-OD2 3.45Å; K213-D217 WeakPolarHBondContact O-CB 3.45Å; K213-D217 PolarHBondContact O-N 3.32Å
214W95.7Very high93.7Very high119 Ų11969.3 Ų69.345%0.45135%0.352SS..Hα-helixtrans-61-37.7-179.2-176.5100.4000112.1N211 P212 R218 I220N211-W214 HydrophobicContact CB-CB 4.37Å; N211-W214 PolarHBondContact O-N 3.19Å; P212-W214 VanDerWaalsContact C-N 3.27Å; P212-W214 PolarHBondContact O-N 2.99Å; W214-R218 VanDerWaalsContact NE1-CZ 3.33Å; W214-R218 WeakPolarHBondContact O-CD 3.49Å; W214-R218 PolarHBondContact O-NH1 3.43Å; W214-R218 VanDerWaalsContact O-NH1 3.13Å; W214-I220 HydrophobicContact CH2-CD1 4.15Å; W214-I220 HydrophobicContact CZ3-CD1 3.93Å
215Y92.9Very high93.6Very high27 Ų2768 Ų6811%0.10635%0.346CS..Hα-helixtrans-71.5-49.9176.5-73.9-97.4000111.2F208 N211 P212 K213 D217 R218 G219 I220 Y222F208-Y215 AromaticContact CD2-CE2 3.87Å; F208-Y215 HydrophobicContact CD2-CE2 3.87Å; F208-Y215 AromaticContact CD2-CZ 3.78Å; F208-Y215 HydrophobicContact CE2-CE1 4.34Å; F208-Y215 HydrophobicContact CE2-CE2 4.14Å; F208-Y215 AromaticContact CE2-CZ 3.95Å; N211-Y215 WeakPolarHBondContact O-CD2 3.36Å; P212-Y215 PolarHBondContact O-N 3.35Å; K213-Y215 VanDerWaalsContact C-N 3.25Å; K213-Y215 PolarHBondContact O-N 3.01Å; Y215-D217 PolarHBondContact O-N 3.14Å; Y215-R218 PolarHBondContact O-N 3.07Å; Y215-R218 VanDerWaalsContact O-N 3.14Å; Y215-G219 PolarHBondContact O-N 3.48Å; Y215-G219 VanDerWaalsContact O-N 3.15Å; Y215-I220 HydrophobicContact CD1-CB 4.18Å; Y215-I220 HydrophobicContact CD1-CG2 3.86Å; Y215-I220 HydrophobicContact CE1-CG2 4.33Å; Y215-I220 PolarHBondContact O-N 3.19Å; Y215-Y222 HydrophobicContact CD1-CD2 4.3Å; Y215-Y222 AromaticContact CD2-CD2 3.61Å; Y215-Y222 HydrophobicContact CD2-CD2 3.61Å; Y215-Y222 AromaticContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CE2-CD2 4.2Å; Y215-Y222 HydrophobicContact CE2-CE2 4.27Å; Y215-Y222 AromaticContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CE2 4.47Å
216T91.6Very high93.7Very high94 Ų9468 Ų6858%0.57735%0.346SS*.Hα-helixtrans-59.7-45.7-179.7-50.40000112P212 K213 R218 G219P212-T216 PolarHBondContact O-N 3.17Å; P212-T216 PolarHBondContact O-OG1 2.64Å; K213-T216 PolarHBondContact O-N 2.97Å; T216-R218 PolarHBondContact O-N 3.41Å; T216-R218 VanDerWaalsContact O-N 3.12Å; T216-G219 PolarHBondContact O-N 2.79Å
217D96Very high93.8Very high106 Ų10664.6 Ų64.657%0.56733%0.33SS*.THydrogen-bonded Turntrans-61.7-23.1-179.7-72.4-8000112.6K213 Y215K213-D217 VanDerWaalsContact CE-OD2 3.26Å; K213-D217 WeakPolarHBondContact CE-OD2 3.42Å; K213-D217 WeakPolarHBondContact CG-OD2 3.45Å; K213-D217 WeakPolarHBondContact O-CB 3.45Å; K213-D217 PolarHBondContact O-N 3.32Å; Y215-D217 PolarHBondContact O-N 3.14Å
218R94.9Very high93.9Very high138 Ų13858.7 Ų58.752%0.52130%0.303SS..THydrogen-bonded Turntrans-101.9-0.7179.8-72167.5178.767.45.5113.5W214 Y215 T216 I220W214-R218 VanDerWaalsContact NE1-CZ 3.33Å; W214-R218 WeakPolarHBondContact O-CD 3.49Å; W214-R218 PolarHBondContact O-NH1 3.43Å; W214-R218 VanDerWaalsContact O-NH1 3.13Å; Y215-R218 PolarHBondContact O-N 3.07Å; Y215-R218 VanDerWaalsContact O-N 3.14Å; T216-R218 PolarHBondContact O-N 3.41Å; T216-R218 VanDerWaalsContact O-N 3.12Å; R218-I220 HydrophobicContact CB-CD1 3.91Å; R218-I220 HydrophobicContact CB-CG1 3.91Å; R218-I220 PolarHBondContact O-N 3.1Å
219G90Very high94Very high69 Ų6961.5 Ų61.571%0.71131%0.314SS*.THydrogen-bonded Turntrans62.222.4-174.200000113.5Y215 T216Y215-G219 PolarHBondContact O-N 3.48Å; Y215-G219 VanDerWaalsContact O-N 3.15Å; T216-G219 PolarHBondContact O-N 2.79Å
220I90.5Very high94.2Very high75 Ų7559.6 Ų59.639%0.38531%0.305SS..  trans-86.9129.5175.7-59.8172.6000107.2W214 Y215 R218 Y222W214-I220 HydrophobicContact CH2-CD1 4.15Å; W214-I220 HydrophobicContact CZ3-CD1 3.93Å; Y215-I220 HydrophobicContact CD1-CB 4.18Å; Y215-I220 HydrophobicContact CD1-CG2 3.86Å; Y215-I220 HydrophobicContact CE1-CG2 4.33Å; Y215-I220 PolarHBondContact O-N 3.19Å; R218-I220 HydrophobicContact CB-CD1 3.91Å; R218-I220 HydrophobicContact CB-CG1 3.91Å; R218-I220 PolarHBondContact O-N 3.1Å; I220-Y222 PolarHBondContact O-N 3.33Å
221P89.4Confident94.2Very high59 Ų5955.8 Ų55.838%0.38329%0.286SS..  trans-55128.2176.9-25.233.5000111.7R223P221-R223 VanDerWaalsContact C-N 3.28Å; P221-R223 PolarHBondContact O-N 3.29Å
222Y92.1Very high94.1Very high28 Ų2856.6 Ų56.611%0.1130%0.295CS..  trans-77.578.4-177.4-176.5-128.6000111F208 I209 P212 Y215 I220 A324 R325F208-Y222 HydrophobicContact CD1-CE2 4.41Å; F208-Y222 HydrophobicContact CD2-CD2 4.28Å; F208-Y222 AromaticContact CD2-CE2 3.8Å; F208-Y222 HydrophobicContact CD2-CE2 3.8Å; F208-Y222 AromaticContact CE1-CE2 3.99Å; F208-Y222 HydrophobicContact CE1-CE2 3.99Å; F208-Y222 AromaticContact CE1-CZ 3.97Å; F208-Y222 AromaticContact CE2-CD2 3.44Å; F208-Y222 HydrophobicContact CE2-CD2 3.44Å; F208-Y222 VanDerWaalsContact CE2-CD2 3.44Å; F208-Y222 AromaticContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CG 4.34Å; F208-Y222 HydrophobicContact CG-CE2 4.34Å; F208-Y222 HydrophobicContact CZ-CD1 4.47Å; F208-Y222 AromaticContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CE1 4.29Å; F208-Y222 AromaticContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CE2 3.43Å; F208-Y222 VanDerWaalsContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CG 4.16Å; F208-Y222 AromaticContact CZ-CZ 3.79Å; F208-Y222 WeakPolarHBondContact O-CE2 3.48Å; F208-Y222 PolarHBondContact O-OH 2.99Å; I209-Y222 WeakPolarHBondContact CA-OH 3.36Å; I209-Y222 PolarHBondContact O-OH 3.13Å; P212-Y222 HydrophobicContact CB-CD1 4.4Å; P212-Y222 HydrophobicContact CB-CE1 3.89Å; P212-Y222 HydrophobicContact CB-CE2 4.06Å; Y215-Y222 HydrophobicContact CD1-CD2 4.3Å; Y215-Y222 AromaticContact CD2-CD2 3.61Å; Y215-Y222 HydrophobicContact CD2-CD2 3.61Å; Y215-Y222 AromaticContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CE2-CD2 4.2Å; Y215-Y222 HydrophobicContact CE2-CE2 4.27Å; Y215-Y222 AromaticContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CE2 4.47Å; I220-Y222 PolarHBondContact O-N 3.33Å; Y222-A324 VanDerWaalsContact CD1-CA 3.41Å; Y222-A324 HydrophobicContact CD1-CB 3.69Å; Y222-A324 HydrophobicContact CE1-CB 3.76Å; Y222-A324 WeakPolarHBondContact O-CA 3.14Å; Y222-A324 PolarHBondContact O-N 3.45Å; Y222-R325 PolarHBondContact O-N 2.94Å
223R90.8Very high94Very high32 Ų3255.9 Ų55.912%0.12130%0.298CS..EExtended strand (participates in β ladder)trans-141.2150.6-178.3-60.7-174.6-71.8-111.29.9109.8P221 D317 S321 R325P221-R223 VanDerWaalsContact C-N 3.28Å; P221-R223 PolarHBondContact O-N 3.29Å; R223-D317 IonicContact NH2-OD1 3.68Å; R223-D317 PolarHBondContact NH2-OD1 2.93Å; R223-S321 PolarHBondContact NH1-O 3.37Å; R223-S321 VanDerWaalsContact NH1-O 3.13Å; R223-R325 WeakPolarHBondContact CA-O 3.46Å; R223-R325 HydrophobicContact CG-CB 4.42Å
224R93.8Very high94Very high53 Ų5349 Ų4920%0.227%0.268CS..EExtended strand (participates in β ladder)trans-140.8128.3176.6-159.773.5170.5168.9-4.7110.8D204 F208 Y226 R325 I326 V327 D348D204-R224 VanDerWaalsContact CG-NH2 3.32Å; D204-R224 IonicContact OD1-CZ 2.84Å; D204-R224 IonicContact OD1-NE 2.8Å; D204-R224 PolarHBondContact OD1-NE 3.19Å; D204-R224 IonicContact OD1-NH2 3.4Å; D204-R224 PolarHBondContact OD1-NH2 2.93Å; D204-R224 IonicContact OD2-CZ 3.42Å; D204-R224 IonicContact OD2-NH2 3.88Å; D204-R224 PolarHBondContact OD2-NH2 2.82Å; F208-R224 HydrophobicContact CB-CG 4.41Å; F208-R224 HydrophobicContact CD1-CB 3.93Å; F208-R224 HydrophobicContact CD2-CB 3.68Å; F208-R224 HydrophobicContact CD2-CG 4.09Å; F208-R224 HydrophobicContact CE1-CB 3.95Å; F208-R224 HydrophobicContact CE2-CB 3.69Å; F208-R224 HydrophobicContact CG-CB 3.79Å; F208-R224 HydrophobicContact CG-CG 4.09Å; F208-R224 HydrophobicContact CZ-CB 3.83Å; R224-Y226 HydrophobicContact CB-CE2 4Å; R224-Y226 HydrophobicContact CG-CD2 4.42Å; R224-Y226 HydrophobicContact CG-CE2 3.5Å; R224-Y226 WeakPolarHBondContact CG-OH 3.25Å; R224-R325 PolarHBondContact N-O 3.4Å; R224-I326 WeakPolarHBondContact O-CA 3.05Å; R224-V327 PolarHBondContact O-N 2.74Å; R224-D348 WeakPolarHBondContact CA-OD2 3.39Å
225G95.4Very high94Very high3 Ų344.2 Ų44.23%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-111.8132.2178.900000113V327 R346 D348 L349G225-V327 WeakPolarHBondContact CA-O 3.27Å; G225-R346 WeakPolarHBondContact CA-O 3.44Å; G225-D348 PolarHBondContact N-OD2 2.94Å; G225-D348 PolarHBondContact O-N 3.11Å; G225-L349 PolarHBondContact O-N 3.25Å
226Y97.6Very high94.1Very high2 Ų243.6 Ų43.61%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-119.5136.8178.5-63.2-90.3000110.5I201 D204 V205 R224 I326 V327 F328 M329 L349I201-Y226 HydrophobicContact CG2-CD1 4.5Å; D204-Y226 HydrophobicContact CB-CE1 4.34Å; D204-Y226 WeakPolarHBondContact OD1-CE1 3.5Å; D204-Y226 PolarHBondContact OD1-OH 3.29Å; V205-Y226 VanDerWaalsContact CA-OH 3.24Å; V205-Y226 WeakPolarHBondContact CA-OH 3.42Å; V205-Y226 HydrophobicContact CG2-CE1 3.83Å; V205-Y226 HydrophobicContact CG2-CE2 3.86Å; V205-Y226 WeakPolarHBondContact CG2-OH 3.44Å; V205-Y226 PolarHBondContact N-OH 3Å; R224-Y226 HydrophobicContact CB-CE2 4Å; R224-Y226 HydrophobicContact CG-CD2 4.42Å; R224-Y226 HydrophobicContact CG-CE2 3.5Å; R224-Y226 WeakPolarHBondContact CG-OH 3.25Å; Y226-I326 HydrophobicContact CD2-CG2 3.89Å; Y226-I326 HydrophobicContact CE2-CG2 3.71Å; Y226-V327 PolarHBondContact N-O 3.37Å; Y226-F328 VanDerWaalsContact CB-CD1 3.49Å; Y226-F328 VanDerWaalsContact CB-CE1 3.48Å; Y226-F328 HydrophobicContact CD1-CE1 4.16Å; Y226-F328 HydrophobicContact CD1-CZ 4.25Å; Y226-F328 HydrophobicContact CD2-CD1 4.46Å; Y226-F328 HydrophobicContact CD2-CD2 4.28Å; Y226-F328 HydrophobicContact CD2-CE1 4.01Å; Y226-F328 AromaticContact CD2-CE2 3.81Å; Y226-F328 HydrophobicContact CD2-CE2 3.81Å; Y226-F328 AromaticContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CE2-CE2 4.31Å; Y226-F328 HydrophobicContact CE2-CZ 4.15Å; Y226-F328 HydrophobicContact CG-CD1 4.11Å; Y226-F328 AromaticContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE2 4.29Å; Y226-F328 AromaticContact CG-CZ 3.71Å; Y226-F328 HydrophobicContact CG-CZ 3.71Å; Y226-M329 PolarHBondContact O-N 3.32Å; Y226-L349 WeakPolarHBondContact CA-O 3.46Å; Y226-L349 HydrophobicContact CD1-CB 3.81Å; Y226-L349 HydrophobicContact CD1-CD2 3.91Å; Y226-L349 HydrophobicContact CD1-CG 4.32Å; Y226-L349 HydrophobicContact CE1-CB 4.01Å; Y226-L349 HydrophobicContact CE1-CD2 3.8Å
227L97.4Very high94.2Very high1 Ų141 Ų411%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-120.6114.8172.5178.868.7000110M329 T331 V334 L337 I342 V347 L349 K350 E351L227-M329 WeakPolarHBondContact CA-O 3.48Å; L227-M329 HydrophobicContact CD1-CB 3.78Å; L227-T331 HydrophobicContact CD1-CG2 3.99Å; L227-V334 HydrophobicContact CD2-CG2 4.35Å; L227-L337 HydrophobicContact CD1-CD1 4.09Å; L227-L337 HydrophobicContact CD2-CD1 4.03Å; L227-I342 HydrophobicContact CD2-CG2 3.84Å; L227-V347 HydrophobicContact CB-CG1 3.57Å; L227-V347 HydrophobicContact CB-CG2 4.41Å; L227-L349 PolarHBondContact N-O 3.11Å; L227-K350 HydrophobicContact CB-CG 4.2Å; L227-K350 HydrophobicContact CD2-CD 4.34Å; L227-K350 HydrophobicContact CD2-CG 4.22Å; L227-K350 WeakPolarHBondContact O-CA 3.5Å; L227-E351 PolarHBondContact O-N 2.84Å
228L97.6Very high94.1Very high2 Ų238 Ų381%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-100.4119.8169.4-55.4-174000109.1I201 K236 F239 I240 M329 T330 T331 E351 V353I201-L228 HydrophobicContact CD1-CD2 3.85Å; L228-K236 HydrophobicContact CB-CB 4.38Å; L228-K236 HydrophobicContact CB-CD 4.38Å; L228-K236 HydrophobicContact CB-CG 4.33Å; L228-K236 WeakPolarHBondContact O-CD 3.44Å; L228-F239 HydrophobicContact CD1-CD1 4.02Å; L228-I240 HydrophobicContact CD1-CD1 3.91Å; L228-I240 HydrophobicContact CD1-CG1 3.82Å; L228-M329 PolarHBondContact N-O 2.56Å; L228-T330 WeakPolarHBondContact O-CA 3.34Å; L228-T331 PolarHBondContact O-N 3.33Å; L228-E351 WeakPolarHBondContact CA-O 3.24Å; L228-E351 HydrophobicContact CD2-CB 3.95Å; L228-V353 HydrophobicContact CB-CG2 4.38Å
229Y97Very high94.2Very high65 Ų6531.4 Ų31.426%0.25520%0.201SC..EExtended strand (participates in β ladder)trans-129.8150.6-177.469.9-79.9000112.1T331 V334 K350 E351 Y352 V353Y229-T331 WeakPolarHBondContact CA-O 3.32Å; Y229-V334 HydrophobicContact CD2-CB 3.67Å; Y229-V334 HydrophobicContact CD2-CG1 3.62Å; Y229-V334 HydrophobicContact CD2-CG2 4.15Å; Y229-V334 HydrophobicContact CE2-CB 4.33Å; Y229-V334 HydrophobicContact CE2-CG1 3.9Å; Y229-V334 HydrophobicContact CG-CB 3.97Å; Y229-V334 HydrophobicContact CG-CG1 4.41Å; Y229-V334 HydrophobicContact CG-CG2 4.17Å; Y229-K350 HydrophobicContact CE1-CB 4.36Å; Y229-E351 VanDerWaalsContact CD1-O 3.25Å; Y229-E351 WeakPolarHBondContact CD1-O 3.34Å; Y229-E351 PolarHBondContact N-O 3Å; Y229-E351 VanDerWaalsContact N-O 3.09Å; Y229-Y352 AromaticContact CD2-CD2 3.84Å; Y229-Y352 HydrophobicContact CD2-CD2 3.84Å; Y229-Y352 AromaticContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CG 4.27Å; Y229-Y352 CarbonylContact O-C 3.51Å; Y229-Y352 WeakPolarHBondContact O-CA 3.38Å; Y229-Y352 WeakPolarHBondContact O-CD2 3.49Å; Y229-V353 PolarHBondContact O-N 3.17Å
230G95.8Very high94.5Very high6 Ų628.1 Ų28.16%0.06217%0.167CC..SBendtrans149.6-178.1178.700000112.2K236 T331 N332G230-K236 PolarHBondContact O-NZ 2.84Å; G230-T331 PolarHBondContact N-O 3.15Å; G230-N332 WeakPolarHBondContact O-CA 3.23Å
231P94.9Very high94.7Very high20 Ų2026.2 Ų26.213%0.1316%0.16CC..SBendtrans-58.2155.8-174.4-20.831.5000113.5C234 K236 Y355P231-C234 PolarHBondContact O-SG 2.63Å; P231-K236 PolarHBondContact O-NZ 2.83Å; P231-Y355 HydrophobicContact CB-CE1 4.06Å; P231-Y355 HydrophobicContact CB-CE2 4.2Å; P231-Y355 HydrophobicContact CG-CD2 4.13Å; P231-Y355 HydrophobicContact CG-CE1 4.21Å; P231-Y355 HydrophobicContact CG-CE2 3.53Å
232P93.5Very high95Very high90 Ų9023.4 Ų23.458%0.58414%0.141SC*.THydrogen-bonded Turntrans-61.8149.7173.827.3-34.5000110.7C234P232-C234 VanDerWaalsContact C-N 3.3Å; P232-C234 PolarHBondContact O-N 2.87Å
233G92.7Very high95.2Very high39 Ų3922.1 Ų22.140%0.40214%0.136SC..THydrogen-bonded Turntrans75.98.3178.400000116.1A394G233-A394 WeakPolarHBondContact O-CB 3.34Å; G233-A394 PolarHBondContact O-N 3.08Å
234C95.1Very high95.4Very high2 Ų220.6 Ų20.61%0.01413%0.13CC..SBendtrans-87.73.5178.1-59.50000115P231 P232 V353 G354P231-C234 PolarHBondContact O-SG 2.63Å; P232-C234 VanDerWaalsContact C-N 3.3Å; P232-C234 PolarHBondContact O-N 2.87Å; C234-V353 HydrophobicContact CB-CG1 3.96Å; C234-V353 WeakPolarHBondContact CB-O 3.4Å; C234-V353 VanDerWaalsContact O-CG1 3.25Å; C234-V353 WeakPolarHBondContact O-CG1 3.46Å; C234-G354 WeakPolarHBondContact CB-O 3.31Å; C234-G354 PolarHBondContact SG-O 3.09Å
235G94Very high95.3Very high18 Ų1818.2 Ų18.219%0.18612%0.122CC..SBendtrans93.812.7171.200000116.4S238 F239G235-S238 WeakPolarHBondContact O-CB 3.46Å; G235-S238 PolarHBondContact O-N 2.98Å; G235-F239 WeakPolarHBondContact O-CB 3.16Å; G235-F239 PolarHBondContact O-N 2.88Å
236K95.4Very high95.1Very high13 Ų1323.5 Ų23.56%0.05715%0.146CC..Hα-helixtrans-49.3-61.3177.6-58.4-175.5-67.2-88.20113.1L228 G230 P231 S238 F239 I240 T330 T331 N332 V353L228-K236 HydrophobicContact CB-CB 4.38Å; L228-K236 HydrophobicContact CB-CD 4.38Å; L228-K236 HydrophobicContact CB-CG 4.33Å; L228-K236 WeakPolarHBondContact O-CD 3.44Å; G230-K236 PolarHBondContact O-NZ 2.84Å; P231-K236 PolarHBondContact O-NZ 2.83Å; K236-S238 VanDerWaalsContact C-N 3.31Å; K236-S238 PolarHBondContact O-N 3.3Å; K236-F239 PolarHBondContact O-N 3Å; K236-I240 WeakPolarHBondContact O-CG1 3.29Å; K236-I240 PolarHBondContact O-N 3.5Å; K236-T330 HydrophobicContact CB-CG2 4.03Å; K236-T331 WeakPolarHBondContact CE-O 3.32Å; K236-N332 PolarHBondContact NZ-OD1 2.83Å; K236-V353 HydrophobicContact CG-CB 3.99Å; K236-V353 HydrophobicContact CG-CG1 4.23Å; K236-V353 HydrophobicContact CG-CG2 4.32Å
237S94.1Very high94.8Very high41 Ų4124.4 Ų24.429%0.28715%0.151SC..Hα-helixtrans-67-32.2179.3-45.40000112.9I240 T241 E282S237-I240 PolarHBondContact O-N 3.3Å; S237-T241 PolarHBondContact O-N 3.44Å; S237-T241 PolarHBondContact O-OG1 2.98Å; S237-E282 WeakPolarHBondContact CB-OE1 3.08Å; S237-E282 PolarHBondContact OG-OE1 3.46Å
238S94.8Very high94.5Very high41 Ų4130.4 Ų30.429%0.28718%0.179SC..Hα-helixtrans-64.6-41.3175.9-76.60000111.9R186 G235 K236 T241 A242R186-S238 PolarHBondContact NH1-OG 3.44Å; G235-S238 WeakPolarHBondContact O-CB 3.46Å; G235-S238 PolarHBondContact O-N 2.98Å; K236-S238 VanDerWaalsContact C-N 3.31Å; K236-S238 PolarHBondContact O-N 3.3Å; S238-T241 PolarHBondContact O-N 2.98Å; S238-A242 PolarHBondContact O-N 2.78Å; S238-A242 VanDerWaalsContact O-N 3.1Å
239F96.9Very high94.3Very high0 Ų031.6 Ų31.60%019%0.185CC..Hα-helixtrans-65.1-46.8176.6178.8-106.2000111.2L188 V191 L193 A198 I201 L228 G235 K236 T241 A242 L243L188-F239 HydrophobicContact CD1-CD2 4.13Å; L188-F239 HydrophobicContact CD1-CE2 3.69Å; L188-F239 HydrophobicContact CD1-CZ 4.41Å; V191-F239 HydrophobicContact CG1-CB 3.97Å; V191-F239 HydrophobicContact CG1-CD2 4.43Å; L193-F239 HydrophobicContact CD1-CB 4.05Å; L193-F239 HydrophobicContact CD1-CD1 4.14Å; L193-F239 HydrophobicContact CD1-CD2 3.46Å; L193-F239 VanDerWaalsContact CD1-CD2 3.46Å; L193-F239 HydrophobicContact CD1-CE2 3.89Å; L193-F239 HydrophobicContact CD1-CG 3.6Å; L193-F239 HydrophobicContact CD1-CZ 4.39Å; L193-F239 HydrophobicContact CG-CD2 4.14Å; A198-F239 HydrophobicContact CB-CE2 3.72Å; A198-F239 HydrophobicContact CB-CZ 4.22Å; I201-F239 HydrophobicContact CB-CE1 4.13Å; I201-F239 HydrophobicContact CB-CZ 4.2Å; I201-F239 HydrophobicContact CD1-CD1 4.44Å; I201-F239 HydrophobicContact CD1-CE1 3.66Å; I201-F239 HydrophobicContact CD1-CZ 4.14Å; I201-F239 HydrophobicContact CG2-CE1 3.92Å; I201-F239 HydrophobicContact CG2-CZ 4.35Å; L228-F239 HydrophobicContact CD1-CD1 4.02Å; G235-F239 WeakPolarHBondContact O-CB 3.16Å; G235-F239 PolarHBondContact O-N 2.88Å; K236-F239 PolarHBondContact O-N 3Å; F239-T241 VanDerWaalsContact C-N 3.27Å; F239-T241 PolarHBondContact O-N 3.02Å; F239-A242 PolarHBondContact O-N 3.42Å; F239-L243 HydrophobicContact CE1-CD2 4.12Å; F239-L243 WeakPolarHBondContact O-CB 3.48Å; F239-L243 PolarHBondContact O-N 2.88Å
240I96.3Very high94.2Very high0 Ų029.3 Ų29.30%018%0.178CC..Hα-helixtrans-60.2-40.1177.7-62.4162.1000110.8L228 K236 S237 A242 L243 A244 L280 F328 T330L228-I240 HydrophobicContact CD1-CD1 3.91Å; L228-I240 HydrophobicContact CD1-CG1 3.82Å; K236-I240 WeakPolarHBondContact O-CG1 3.29Å; K236-I240 PolarHBondContact O-N 3.5Å; S237-I240 PolarHBondContact O-N 3.3Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 3.27Å; I240-L243 PolarHBondContact O-N 2.92Å; I240-A244 WeakPolarHBondContact O-CB 3.36Å; I240-A244 PolarHBondContact O-N 3.49Å; I240-L280 HydrophobicContact CD1-CD1 3.64Å; I240-L280 HydrophobicContact CG2-CD1 4.41Å; I240-L280 HydrophobicContact CG2-CD2 4.07Å; I240-F328 HydrophobicContact CD1-CB 3.87Å; I240-F328 HydrophobicContact CD1-CD1 4.03Å; I240-F328 HydrophobicContact CD1-CG 4.21Å; I240-F328 HydrophobicContact CG1-CB 4.31Å; I240-F328 HydrophobicContact CG1-CD1 3.82Å; I240-F328 HydrophobicContact CG1-CE1 4.44Å; I240-F328 HydrophobicContact CG1-CG 4.14Å; I240-F328 HydrophobicContact CG2-CB 4.34Å; I240-F328 HydrophobicContact CG2-CG 4.28Å; I240-T330 HydrophobicContact CD1-CG2 3.48Å; I240-T330 VanDerWaalsContact CD1-CG2 3.48Å
241T94.3Very high94.2Very high36 Ų3629 Ų2922%0.22118%0.175CC..Hα-helixtrans-62.1-40.2175.8-54.10000112.2M168 S237 S238 F239 G245 I251M168-T241 HydrophobicContact CE-CG2 4.07Å; S237-T241 PolarHBondContact O-N 3.44Å; S237-T241 PolarHBondContact O-OG1 2.98Å; S238-T241 PolarHBondContact O-N 2.98Å; F239-T241 VanDerWaalsContact C-N 3.27Å; F239-T241 PolarHBondContact O-N 3.02Å; T241-G245 PolarHBondContact O-N 3.11Å; T241-I251 HydrophobicContact CG2-CD1 4.32Å
242A95.3Very high94.3Very high0 Ų028 Ų280%017%0.169CC..Hα-helixtrans-73.3-40.6178.800000112.1R186 L188 V191 S238 F239 I240 G245 E246R186-A242 HydrophobicContact CB-CB 4.19Å; R186-A242 HydrophobicContact CG-CB 4.07Å; R186-A242 WeakPolarHBondContact O-CA 3.34Å; R186-A242 WeakPolarHBondContact O-CB 3.43Å; L188-A242 HydrophobicContact CD1-CB 4.13Å; V191-A242 HydrophobicContact CG2-CB 4.02Å; S238-A242 PolarHBondContact O-N 2.78Å; S238-A242 VanDerWaalsContact O-N 3.1Å; F239-A242 PolarHBondContact O-N 3.42Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 3.27Å; A242-G245 PolarHBondContact O-N 2.65Å; A242-G245 VanDerWaalsContact O-N 3.14Å; A242-E246 PolarHBondContact O-N 3.21Å
243L96Very high94.4Very high0 Ų026.1 Ų26.10%015%0.153CC..Hα-helixtrans-60.8-44.4175.7179.864.6000111.8L188 I201 V202 V205 F239 I240 G245 E246 L247 F328L188-L243 HydrophobicContact CD1-CB 4.41Å; I201-L243 HydrophobicContact CG2-CD2 4.15Å; V202-L243 HydrophobicContact CG2-CD1 3.76Å; V205-L243 HydrophobicContact CG2-CD2 4.36Å; F239-L243 HydrophobicContact CE1-CD2 4.12Å; F239-L243 WeakPolarHBondContact O-CB 3.48Å; F239-L243 PolarHBondContact O-N 2.88Å; I240-L243 PolarHBondContact O-N 2.92Å; L243-G245 PolarHBondContact O-N 3.39Å; L243-E246 PolarHBondContact O-N 2.85Å; L243-L247 HydrophobicContact CD1-CD1 3.94Å; L243-L247 HydrophobicContact CD1-CG 4.21Å; L243-L247 HydrophobicContact CG-CD1 3.88Å; L243-L247 HydrophobicContact CG-CG 4.5Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.44Å; L243-F328 HydrophobicContact CD2-CE1 4.04Å; L243-F328 HydrophobicContact CD2-CE2 4.1Å; L243-F328 HydrophobicContact CD2-CZ 3.44Å; L243-F328 VanDerWaalsContact CD2-CZ 3.44Å
244A94.8Very high94.3Very high0 Ų024.7 Ų24.70%014%0.136CC..Hα-helixtrans-59.6-38.6174.700000111.9T166 I240 E248 H249 I251 L278T166-A244 HydrophobicContact CG2-CB 4.39Å; I240-A244 WeakPolarHBondContact O-CB 3.36Å; I240-A244 PolarHBondContact O-N 3.49Å; A244-E248 PolarHBondContact O-N 3.5Å; A244-E248 VanDerWaalsContact O-N 3.13Å; A244-H249 PolarHBondContact O-N 2.7Å; A244-I251 HydrophobicContact CB-CD1 3.57Å; A244-I251 HydrophobicContact CB-CG1 3.43Å; A244-I251 VanDerWaalsContact CB-CG1 3.43Å; A244-L278 HydrophobicContact CB-CD1 3.79Å
245G92.3Very high93.9Very high3 Ų327.5 Ų27.53%0.03116%0.156CC..Hα-helixtrans-65-39.8175.700000113.3R185 T241 A242 L243 E248R185-G245 WeakPolarHBondContact CD-O 3.5Å; R185-G245 PolarHBondContact NE-O 2.81Å; T241-G245 PolarHBondContact O-N 3.11Å; A242-G245 PolarHBondContact O-N 2.65Å; A242-G245 VanDerWaalsContact O-N 3.14Å; L243-G245 PolarHBondContact O-N 3.39Å; G245-E248 PolarHBondContact O-N 2.9Å
246E91.4Very high93.4Very high115 Ų11526.9 Ų26.954%0.53715%0.149SC..Hα-helixtrans-66.3-42.7176.7-167.166.8-159.800111.8L188 A242 L243 E248L188-E246 HydrophobicContact CD2-CG 4.5Å; A242-E246 PolarHBondContact O-N 3.21Å; L243-E246 PolarHBondContact O-N 2.85Å; E246-E248 PolarHBondContact O-N 3.21Å
247L91.4Very high92.7Very high21 Ų2129.5 Ų29.511%0.1117%0.166CC..THydrogen-bonded Turntrans-79-1.4179.2-61.3171.3000113.2V205 I209 L243 H249V205-L247 HydrophobicContact CB-CD1 4.43Å; V205-L247 HydrophobicContact CG1-CD1 3.4Å; V205-L247 VanDerWaalsContact CG1-CD1 3.4Å; V205-L247 HydrophobicContact CG1-CD2 4.31Å; I209-L247 HydrophobicContact CD1-CD1 4.37Å; I209-L247 HydrophobicContact CD1-CD2 4.09Å; L243-L247 HydrophobicContact CD1-CD1 3.94Å; L243-L247 HydrophobicContact CD1-CG 4.21Å; L243-L247 HydrophobicContact CG-CD1 3.88Å; L243-L247 HydrophobicContact CG-CG 4.5Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.44Å; L247-H249 HydrophobicContact CB-CB 4.46Å; L247-H249 PolarHBondContact O-N 3.49Å; L247-H249 PolarHBondContact O-ND1 3.28Å
248E91.1Very high92Very high126 Ų12630.2 Ų30.259%0.58917%0.166SC*.THydrogen-bonded Turntrans57.426.5-172.8-42.9-156.5119.200114.2R185 A244 G245 E246R185-E248 IonicContact CZ-OE1 3.89Å; R185-E248 VanDerWaalsContact CZ-OE1 3.26Å; R185-E248 IonicContact NH1-OE1 3.35Å; R185-E248 PolarHBondContact NH1-OE1 3.25Å; R185-E248 IonicContact NH2-OE1 3.79Å; R185-E248 PolarHBondContact NH2-OE1 3.46Å; A244-E248 PolarHBondContact O-N 3.5Å; A244-E248 VanDerWaalsContact O-N 3.13Å; G245-E248 PolarHBondContact O-N 2.9Å; E246-E248 PolarHBondContact O-N 3.21Å
249H93.7Very high91.1Very high28 Ų2832.1 Ų32.113%0.1318%0.179CC..  trans-93152.5178.8-77.351.6000111.9A244 L247 Q276 L278A244-H249 PolarHBondContact O-N 2.7Å; L247-H249 HydrophobicContact CB-CB 4.46Å; L247-H249 PolarHBondContact O-N 3.49Å; L247-H249 PolarHBondContact O-ND1 3.28Å; H249-Q276 WeakPolarHBondContact CA-O 3.39Å; H249-Q276 WeakPolarHBondContact CB-O 3.4Å; H249-L278 HydrophobicContact CB-CD2 4.34Å; H249-L278 HydrophobicContact CB-CG 3.97Å
250S94.7Very high90.3Very high16 Ų1635.2 Ų35.211%0.11220%0.201CC..EExtended strand (participates in β ladder)trans-81.5164.9167.2610000111.4V167 Q276 S277 L278V167-S250 WeakPolarHBondContact O-CA 3.27Å; V167-S250 WeakPolarHBondContact O-CB 3.33Å; S250-Q276 PolarHBondContact N-O 3.04Å; S250-Q276 PolarHBondContact OG-O 3.46Å; S250-S277 CarbonylContact O-C 3.58Å; S250-S277 WeakPolarHBondContact O-CA 3.4Å; S250-S277 WeakPolarHBondContact OG-CA 3.36Å; S250-S277 WeakPolarHBondContact OG-CB 3.08Å; S250-L278 PolarHBondContact O-N 3.44Å
251I96.5Very high89.7Confident0 Ų035.3 Ų35.30%020%0.202CC..EExtended strand (participates in β ladder)trans-118.9127177.8-54.7175.7000109.4T166 V167 M168 Y169 T241 A244 L253 L278 L280T166-I251 HydrophobicContact CG2-CD1 4.07Å; T166-I251 HydrophobicContact CG2-CG1 4.04Å; V167-I251 PolarHBondContact O-N 3.29Å; M168-I251 CarbonylContact C-O 3.57Å; M168-I251 HydrophobicContact CE-CD1 3.97Å; M168-I251 HydrophobicContact SD-CB 3.69Å; M168-I251 HydrophobicContact SD-CD1 3.92Å; M168-I251 HydrophobicContact SD-CG1 4.2Å; M168-I251 HydrophobicContact SD-CG2 4.29Å; Y169-I251 PolarHBondContact N-O 3.37Å; T241-I251 HydrophobicContact CG2-CD1 4.32Å; A244-I251 HydrophobicContact CB-CD1 3.57Å; A244-I251 HydrophobicContact CB-CG1 3.43Å; A244-I251 VanDerWaalsContact CB-CG1 3.43Å; I251-L253 HydrophobicContact CG2-CD2 3.92Å; I251-L253 HydrophobicContact CG2-CG 4.15Å; I251-L278 WeakPolarHBondContact CA-O 3.35Å; I251-L280 HydrophobicContact CG2-CB 3.96Å; I251-L280 HydrophobicContact CG2-CD2 4.29Å
252C96.2Very high89.4Confident0 Ų035.1 Ų35.10%020%0.202CC..EExtended strand (participates in β ladder)trans-101.499.1173.9-72.80000109W176 P274 L278 V279 L280W176-C252 HydrophobicContact CD2-CB 4.44Å; W176-C252 HydrophobicContact CE3-CB 4.03Å; W176-C252 HydrophobicContact CH2-CB 3.58Å; W176-C252 HydrophobicContact CZ2-CB 4.03Å; W176-C252 HydrophobicContact CZ3-CB 3.58Å; C252-P274 VanDerWaalsContact SG-CD 3.59Å; C252-L278 PolarHBondContact N-O 2.81Å; C252-V279 HydrophobicContact CB-CG2 4.34Å; C252-L280 PolarHBondContact O-N 2.92Å
253L94.8Very high89Confident50 Ų5036.9 Ų36.926%0.26221%0.211SC..EExtended strand (participates in β ladder)trans-79.7122.5179.7-66.5172.5000109.9M168 Y169 I251 L280M168-L253 HydrophobicContact SD-CD1 4.47Å; Y169-L253 PolarHBondContact O-N 2.95Å; I251-L253 HydrophobicContact CG2-CD2 3.92Å; I251-L253 HydrophobicContact CG2-CG 4.15Å; L253-L280 HydrophobicContact CD2-CB 4.14Å; L253-L280 HydrophobicContact CD2-CD2 3.59Å; L253-L280 HydrophobicContact CD2-CG 4.01Å
254L91.8Very high88.7Confident8 Ų843.1 Ų43.14%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-128.3116176.6-172.364.2000110.2A171 W176 L256 L261 L266 L269 L280 L281A171-L254 HydrophobicContact CB-CD1 3.96Å; W176-L254 HydrophobicContact CH2-CB 4.18Å; W176-L254 HydrophobicContact CH2-CD1 4.43Å; L254-L256 HydrophobicContact CD2-CD2 4.41Å; L254-L256 HydrophobicContact CG-CD2 4.47Å; L254-L261 HydrophobicContact CD1-CD1 4.48Å; L254-L266 HydrophobicContact CD2-CD1 3.3Å; L254-L269 HydrophobicContact CD1-CD1 3.98Å; L254-L280 PolarHBondContact N-O 3.22Å; L254-L281 HydrophobicContact CB-CD2 3.74Å; L254-L281 HydrophobicContact CD2-CD2 3.55Å; L254-L281 HydrophobicContact CG-CD2 4.04Å
255S86.6Confident88.4Confident62 Ų6244.3 Ų44.343%0.43425%0.249SC..EExtended strand (participates in β ladder)trans-90.2124172.2-178.60000110T257S255-T257 PolarHBondContact O-N 3.18Å; S255-T257 PolarHBondContact OG-N 3.32Å; S255-T257 PolarHBondContact OG-OG1 3.26Å
256L83.4Confident88.4Confident5 Ų544.1 Ų44.13%0.02625%0.248CC..THydrogen-bonded Turntrans-79.6-5.6177.9-58.4-175.9000113.3L254 L261 L281 V284 A287 L307 L312L254-L256 HydrophobicContact CD2-CD2 4.41Å; L254-L256 HydrophobicContact CG-CD2 4.47Å; L256-L261 HydrophobicContact CD2-CD2 4.07Å; L256-L281 HydrophobicContact CD2-CD2 4.37Å; L256-V284 HydrophobicContact CD1-CB 4.34Å; L256-V284 HydrophobicContact CD1-CG1 3.89Å; L256-A287 HydrophobicContact CB-CB 4.03Å; L256-A287 HydrophobicContact CD1-CB 4.21Å; L256-L307 HydrophobicContact CB-CD2 4.1Å; L256-L307 HydrophobicContact CD2-CD2 3.81Å; L256-L307 HydrophobicContact CG-CD2 4.38Å; L256-L312 HydrophobicContact CD1-CD1 4.32Å; L256-L312 HydrophobicContact CD1-CD2 3.99Å; L256-L312 HydrophobicContact CD2-CD1 4.45Å
257T80.1Confident88.3Confident68 Ų6841.3 Ų41.342%0.41724%0.236SC..THydrogen-bonded Turntrans-87.3-8.6-179.158.20000113.5S255 S259 A286S255-T257 PolarHBondContact O-N 3.18Å; S255-T257 PolarHBondContact OG-N 3.32Å; S255-T257 PolarHBondContact OG-OG1 3.26Å; T257-S259 PolarHBondContact O-N 3.47Å; T257-A286 HydrophobicContact CG2-CB 3.66Å
258D79.8Confident88.2Confident56 Ų5644.3 Ų44.330%0.29925%0.25SC..  trans-60.9121.1179.2-177-6000110.9S260 L261 R265D258-S260 PolarHBondContact O-N 3.46Å; D258-S260 WeakPolarHBondContact OD1-CB 3.36Å; D258-S260 PolarHBondContact OD1-N 3.03Å; D258-S260 PolarHBondContact OD1-OG 2.75Å; D258-S260 PolarHBondContact OD2-OG 3.39Å; D258-L261 HydrophobicContact CB-CB 4.17Å; D258-L261 WeakPolarHBondContact O-CB 3.07Å; D258-L261 PolarHBondContact O-N 3.13Å; D258-L261 VanDerWaalsContact O-N 3.11Å; D258-R265 IonicContact OD2-NH1 2.94Å; D258-R265 IonicContact OD2-NH2 3.02Å
259S75.1Confident88.3Confident80 Ų8038.3 Ų38.356%0.55922%0.222SC*.THydrogen-bonded Turntrans-63.8-21.4179.253.60000113.6T257T257-S259 PolarHBondContact O-N 3.47Å
260S80.1Confident88.2Confident66 Ų6637 Ų3746%0.46222%0.216SC..THydrogen-bonded Turntrans-89.2-2.8178.567.40000113.3D258 S262 R265D258-S260 PolarHBondContact O-N 3.46Å; D258-S260 WeakPolarHBondContact OD1-CB 3.36Å; D258-S260 PolarHBondContact OD1-N 3.03Å; D258-S260 PolarHBondContact OD1-OG 2.75Å; D258-S260 PolarHBondContact OD2-OG 3.39Å; S260-S262 PolarHBondContact O-N 3.46Å; S260-R265 PolarHBondContact O-NH1 2.84Å; S260-R265 PolarHBondContact OG-NH1 2.88Å
261L84.4Confident87.9Confident1 Ų138.3 Ų38.31%0.00522%0.224CC..  trans-82.9114.6177.5-171.567000109.8L254 L256 D258 R265 L266 L269 R306 L307L254-L261 HydrophobicContact CD1-CD1 4.48Å; L256-L261 HydrophobicContact CD2-CD2 4.07Å; D258-L261 HydrophobicContact CB-CB 4.17Å; D258-L261 WeakPolarHBondContact O-CB 3.07Å; D258-L261 PolarHBondContact O-N 3.13Å; D258-L261 VanDerWaalsContact O-N 3.11Å; L261-R265 HydrophobicContact CD1-CG 4.25Å; L261-L266 HydrophobicContact CD1-CB 4.2Å; L261-L269 HydrophobicContact CD1-CD1 4.01Å; L261-R306 CarbonylContact O-C 3.57Å; L261-L307 HydrophobicContact CD2-CD2 4.01Å; L261-L307 PolarHBondContact O-N 3.45Å
262S87.8Confident87.7Confident32 Ų3241.3 Ų41.322%0.22424%0.243CC..  trans-103.9168.7172.370.40000111.3S260 D264 R265 L266 G305S260-S262 PolarHBondContact O-N 3.46Å; S262-D264 PolarHBondContact O-N 3.36Å; S262-R265 PolarHBondContact O-N 3.31Å; S262-R265 WeakPolarHBondContact OG-CB 3.5Å; S262-R265 PolarHBondContact OG-N 2.79Å; S262-L266 WeakPolarHBondContact O-CB 3.44Å; S262-L266 PolarHBondContact O-N 2.86Å; S262-G305 VanDerWaalsContact CA-O 3.28Å; S262-G305 WeakPolarHBondContact CA-O 3.4Å; S262-G305 WeakPolarHBondContact CB-O 3.44Å
263D88.1Confident87.5Confident37 Ų3742.6 Ų42.620%0.19825%0.253CS..Hα-helixtrans-58.7-46.8176.2-65.7-6000111.9R265 L266 N267 L307 T308 G311D263-R265 VanDerWaalsContact C-N 3.34Å; D263-R265 PolarHBondContact O-N 3.32Å; D263-L266 PolarHBondContact O-N 2.95Å; D263-N267 WeakPolarHBondContact O-CB 3.41Å; D263-N267 PolarHBondContact O-N 2.97Å; D263-N267 PolarHBondContact O-ND2 2.85Å; D263-L307 WeakPolarHBondContact OD1-CA 3.38Å; D263-T308 PolarHBondContact OD1-N 2.9Å; D263-T308 PolarHBondContact OD1-OG1 3.12Å; D263-T308 WeakPolarHBondContact OD2-CG2 3.16Å; D263-T308 PolarHBondContact OD2-OG1 3.26Å; D263-G311 VanDerWaalsContact CG-CA 3.48Å
264D88.1Confident87.2Confident132 Ų13241.7 Ų41.771%0.70625%0.25SS*.Hα-helixtrans-64.2-40.7178.9-62.3-45.4000111.8S262 N267 H268S262-D264 PolarHBondContact O-N 3.36Å; D264-N267 PolarHBondContact O-N 3.2Å; D264-H268 WeakPolarHBondContact O-CB 3.4Å; D264-H268 PolarHBondContact O-N 3.33Å
265R90Very high86.9Confident24 Ų2450 Ų509%0.09129%0.289CS..Hα-helixtrans-67-41.4178.3-176.9176.7169.3-154.4-4.9111.2G173 D258 S260 L261 S262 D263 H268 L269G173-R265 VanDerWaalsContact N-NH2 3.2Å; G173-R265 PolarHBondContact O-NE 3.03Å; G173-R265 PolarHBondContact O-NH2 2.89Å; D258-R265 IonicContact OD2-NH1 2.94Å; D258-R265 IonicContact OD2-NH2 3.02Å; S260-R265 PolarHBondContact O-NH1 2.84Å; S260-R265 PolarHBondContact OG-NH1 2.88Å; L261-R265 HydrophobicContact CD1-CG 4.25Å; S262-R265 PolarHBondContact O-N 3.31Å; S262-R265 WeakPolarHBondContact OG-CB 3.5Å; S262-R265 PolarHBondContact OG-N 2.79Å; D263-R265 VanDerWaalsContact C-N 3.34Å; D263-R265 PolarHBondContact O-N 3.32Å; R265-H268 PolarHBondContact O-N 3.4Å; R265-L269 HydrophobicContact CG-CD1 4.05Å; R265-L269 HydrophobicContact CG-CG 4.44Å; R265-L269 WeakPolarHBondContact O-CB 3.37Å; R265-L269 VanDerWaalsContact O-CG 3.27Å; R265-L269 WeakPolarHBondContact O-CG 3.41Å; R265-L269 PolarHBondContact O-N 2.81Å
266L90.6Very high87Confident0 Ų054 Ų540%030%0.301CS..Hα-helixtrans-62.1-47.9175.4176.262.5000111.1L254 L261 S262 D263 H268 L269 L270 L307 L312 A315L254-L266 HydrophobicContact CD2-CD1 3.3Å; L261-L266 HydrophobicContact CD1-CB 4.2Å; S262-L266 WeakPolarHBondContact O-CB 3.44Å; S262-L266 PolarHBondContact O-N 2.86Å; D263-L266 PolarHBondContact O-N 2.95Å; L266-H268 VanDerWaalsContact C-N 3.31Å; L266-H268 PolarHBondContact O-N 2.95Å; L266-L269 PolarHBondContact O-N 2.93Å; L266-L270 HydrophobicContact CD1-CD1 4.23Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 4.39Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 2.98Å; L266-L307 HydrophobicContact CB-CD1 4.23Å; L266-L307 HydrophobicContact CD2-CD1 3.37Å; L266-L307 HydrophobicContact CD2-CD2 4.32Å; L266-L307 HydrophobicContact CG-CD1 4.41Å; L266-L312 HydrophobicContact CD2-CB 4.3Å; L266-L312 HydrophobicContact CD2-CD1 3.78Å; L266-A315 HydrophobicContact CD2-CB 3.74Å; L266-A315 HydrophobicContact CG-CB 3.76Å
267N89.6Confident87.5Confident56 Ų5654.2 Ų54.230%0.29930%0.303SS..Hα-helixtrans-55.5-47.5175.6-81.1-48.5000111.5D263 D264 L270 S271 A315D263-N267 WeakPolarHBondContact O-CB 3.41Å; D263-N267 PolarHBondContact O-N 2.97Å; D263-N267 PolarHBondContact O-ND2 2.85Å; D264-N267 PolarHBondContact O-N 3.2Å; N267-L270 PolarHBondContact O-N 2.64Å; N267-S271 PolarHBondContact O-N 3.2Å; N267-A315 WeakPolarHBondContact OD1-CA 3.43Å; N267-A315 WeakPolarHBondContact OD1-CB 3.47Å
268H91Very high88.2Confident84 Ų8451 Ų5139%0.38928%0.283SS..Hα-helixtrans-60.9-51177.4-175.9-92.7000111.7S174 D264 R265 L266 L270 S271 V272S174-H268 PolarHBondContact O-CE1 3.45Å; S174-H268 PolarHBondContact O-ND1 2.7Å; D264-H268 WeakPolarHBondContact O-CB 3.4Å; D264-H268 PolarHBondContact O-N 3.33Å; R265-H268 PolarHBondContact O-N 3.4Å; L266-H268 VanDerWaalsContact C-N 3.31Å; L266-H268 PolarHBondContact O-N 2.95Å; H268-L270 VanDerWaalsContact C-N 3.3Å; H268-L270 PolarHBondContact O-N 3.23Å; H268-S271 PolarHBondContact O-N 2.79Å; H268-S271 PolarHBondContact O-OG 2.94Å; H268-V272 WeakPolarHBondContact O-CG2 3.31Å; H268-V272 PolarHBondContact O-N 3.18Å
269L92.7Very high89Confident0 Ų048.3 Ų48.30%027%0.269CS..Hα-helixtrans-56.8-42.9179.7-76168.4000112.1A171 W176 L254 L261 R265 L266 S271 V272 A273A171-L269 HydrophobicContact CB-CD1 3.67Å; A171-L269 HydrophobicContact CB-CD2 3.86Å; A171-L269 HydrophobicContact CB-CG 4.44Å; W176-L269 HydrophobicContact CD2-CD2 4.45Å; W176-L269 HydrophobicContact CZ2-CB 4.15Å; W176-L269 HydrophobicContact CZ2-CD2 4.48Å; W176-L269 PolarHBondContact NE1-O 2.73Å; L254-L269 HydrophobicContact CD1-CD1 3.98Å; L261-L269 HydrophobicContact CD1-CD1 4.01Å; R265-L269 HydrophobicContact CG-CD1 4.05Å; R265-L269 HydrophobicContact CG-CG 4.44Å; R265-L269 WeakPolarHBondContact O-CB 3.37Å; R265-L269 VanDerWaalsContact O-CG 3.27Å; R265-L269 WeakPolarHBondContact O-CG 3.41Å; R265-L269 PolarHBondContact O-N 2.81Å; L266-L269 PolarHBondContact O-N 2.93Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 3.26Å; L269-V272 PolarHBondContact O-N 3.34Å; L269-A273 PolarHBondContact O-N 3.4Å
270L91.2Very high90Very high1 Ų144.6 Ų44.61%0.00524%0.243CC..Hα-helixtrans-67.7-33.4176.8-68.6-174.1000112.5L266 N267 H268 V279 A315 T322 R325L266-L270 HydrophobicContact CD1-CD1 4.23Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 4.39Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 2.98Å; N267-L270 PolarHBondContact O-N 2.64Å; H268-L270 VanDerWaalsContact C-N 3.3Å; H268-L270 PolarHBondContact O-N 3.23Å; L270-V279 HydrophobicContact CD2-CG1 3.79Å; L270-V279 HydrophobicContact CD2-CG2 4.33Å; L270-A315 HydrophobicContact CD1-CB 3.73Å; L270-A315 WeakPolarHBondContact CD1-O 3.32Å; L270-T322 PolarHBondContact O-OG1 3.11Å; L270-R325 VanDerWaalsContact C-NH2 3.32Å; L270-R325 PolarHBondContact O-NE 3.22Å; L270-R325 PolarHBondContact O-NH2 3.45Å
271S89Confident90.7Very high42 Ų4241.5 Ų41.529%0.29422%0.221SC..Hα-helixtrans-70-36175.8710000113.5N267 H268 L269 T322N267-S271 PolarHBondContact O-N 3.2Å; H268-S271 PolarHBondContact O-N 2.79Å; H268-S271 PolarHBondContact O-OG 2.94Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 3.26Å; S271-T322 VanDerWaalsContact O-CG2 3.24Å; S271-T322 WeakPolarHBondContact O-CG2 3.26Å; S271-T322 PolarHBondContact O-OG1 2.88Å
272V91.1Very high91Very high64 Ų6444.9 Ų44.939%0.38824%0.237SC..THydrogen-bonded Turntrans-9920.7-176-54.20000113W176 H268 L269W176-V272 VanDerWaalsContact CD1-O 3.31Å; H268-V272 WeakPolarHBondContact O-CG2 3.31Å; H268-V272 PolarHBondContact O-N 3.18Å; L269-V272 PolarHBondContact O-N 3.34Å
273A91.5Very high90.9Very high26 Ų2646.6 Ų46.622%0.21524%0.243CC..PPolyproline II helixtrans-56.6133.7176.200000110.4L269 V279L269-A273 PolarHBondContact O-N 3.4Å; A273-V279 HydrophobicContact CB-CG2 4.39Å
274P90.3Very high90.9Very high32 Ų3244.9 Ų44.921%0.20823%0.234CC..PPolyproline II helixtrans-52.4148.4174.9-25.633.2000112.2Y169 W176 C252 S277Y169-P274 HydrophobicContact CD1-CG 4.17Å; Y169-P274 HydrophobicContact CD2-CG 4.23Å; Y169-P274 HydrophobicContact CE1-CG 4.13Å; Y169-P274 HydrophobicContact CE2-CB 4.4Å; Y169-P274 HydrophobicContact CE2-CG 4.21Å; Y169-P274 HydrophobicContact CG-CG 4.22Å; W176-P274 HydrophobicContact CB-CG 4.25Å; W176-P274 HydrophobicContact CG-CG 4.4Å; C252-P274 VanDerWaalsContact SG-CD 3.59Å; P274-S277 VanDerWaalsContact O-CB 3.29Å; P274-S277 WeakPolarHBondContact O-CB 3.41Å; P274-S277 PolarHBondContact O-OG 2.94Å
275Q84.7Confident90.7Very high181 Ų18139 Ų3985%0.84620%0.203SC*.THydrogen-bonded Turntrans-60.4149.7173.4-65.1178-10.100110.6S277Q275-S277 VanDerWaalsContact C-N 3.3Å; Q275-S277 PolarHBondContact O-N 3.41Å
276Q88.9Confident89.9Confident146 Ų14639 Ų3968%0.68221%0.208SC*.THydrogen-bonded Turntrans51.748.3179.9-58.2178.4-49.200112.2H249 S250H249-Q276 WeakPolarHBondContact CA-O 3.39Å; H249-Q276 WeakPolarHBondContact CB-O 3.4Å; S250-Q276 PolarHBondContact N-O 3.04Å; S250-Q276 PolarHBondContact OG-O 3.46Å
277S93.5Very high89.1Confident11 Ų1140.2 Ų40.28%0.07722%0.218CC..EExtended strand (participates in β ladder)trans-123.1147.3178.670.90000111.9S250 P274 Q275S250-S277 CarbonylContact O-C 3.58Å; S250-S277 WeakPolarHBondContact O-CA 3.4Å; S250-S277 WeakPolarHBondContact OG-CA 3.36Å; S250-S277 WeakPolarHBondContact OG-CB 3.08Å; P274-S277 VanDerWaalsContact O-CB 3.29Å; P274-S277 WeakPolarHBondContact O-CB 3.41Å; P274-S277 PolarHBondContact O-OG 2.94Å; Q275-S277 VanDerWaalsContact C-N 3.3Å; Q275-S277 PolarHBondContact O-N 3.41Å
278L95.8Very high88.1Confident0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-99.8123.2168.8-54-175.3000108.3A244 H249 S250 I251 C252 I326 F328A244-L278 HydrophobicContact CB-CD1 3.79Å; H249-L278 HydrophobicContact CB-CD2 4.34Å; H249-L278 HydrophobicContact CB-CG 3.97Å; S250-L278 PolarHBondContact O-N 3.44Å; I251-L278 WeakPolarHBondContact CA-O 3.35Å; C252-L278 PolarHBondContact N-O 2.81Å; L278-I326 HydrophobicContact CD2-CB 3.69Å; L278-I326 HydrophobicContact CD2-CD1 3.8Å; L278-I326 HydrophobicContact CD2-CG1 4.33Å; L278-I326 HydrophobicContact CD2-CG2 3.81Å; L278-F328 HydrophobicContact CD1-CD2 4.43Å; L278-F328 HydrophobicContact CD1-CE2 4.21Å
279V96.1Very high86.8Confident0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-82.3119.6172.7-179.90000108.4C252 L270 A273 L281 R325 I326 V327 F328C252-V279 HydrophobicContact CB-CG2 4.34Å; L270-V279 HydrophobicContact CD2-CG1 3.79Å; L270-V279 HydrophobicContact CD2-CG2 4.33Å; A273-V279 HydrophobicContact CB-CG2 4.39Å; V279-L281 HydrophobicContact CG1-CD2 3.95Å; V279-R325 HydrophobicContact CG2-CG 4.36Å; V279-I326 PolarHBondContact N-O 2.92Å; V279-V327 HydrophobicContact CB-CG2 4.31Å; V279-V327 CarbonylContact O-C 3.59Å; V279-V327 WeakPolarHBondContact O-CA 3.39Å; V279-F328 PolarHBondContact O-N 2.54Å
280L96.6Very high85.2Confident2 Ų239.4 Ų39.41%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-108.7113.7178.7174.852.1000109.9I240 I251 C252 L253 L254 E282 F328 T330I240-L280 HydrophobicContact CD1-CD1 3.64Å; I240-L280 HydrophobicContact CG2-CD1 4.41Å; I240-L280 HydrophobicContact CG2-CD2 4.07Å; I251-L280 HydrophobicContact CG2-CB 3.96Å; I251-L280 HydrophobicContact CG2-CD2 4.29Å; C252-L280 PolarHBondContact O-N 2.92Å; L253-L280 HydrophobicContact CD2-CB 4.14Å; L253-L280 HydrophobicContact CD2-CD2 3.59Å; L253-L280 HydrophobicContact CD2-CG 4.01Å; L254-L280 PolarHBondContact N-O 3.22Å; L280-E282 HydrophobicContact CD1-CG 4.19Å; L280-E282 HydrophobicContact CD2-CG 4.19Å; L280-E282 HydrophobicContact CG-CG 3.93Å; L280-F328 WeakPolarHBondContact CA-O 3.47Å; L280-F328 HydrophobicContact CD1-CB 4.12Å; L280-T330 HydrophobicContact CD1-CG2 4.14Å
281L94.1Very high83.9Confident1 Ų145.7 Ų45.71%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-98106.2170.6-49.7-175000108.5L254 L256 V279 V284 L312 L316 V327 F328 M329 T330L254-L281 HydrophobicContact CB-CD2 3.74Å; L254-L281 HydrophobicContact CD2-CD2 3.55Å; L254-L281 HydrophobicContact CG-CD2 4.04Å; L256-L281 HydrophobicContact CD2-CD2 4.37Å; V279-L281 HydrophobicContact CG1-CD2 3.95Å; L281-V284 HydrophobicContact CB-CG1 3.71Å; L281-L312 HydrophobicContact CD1-CD1 4.33Å; L281-L316 HydrophobicContact CD1-CD2 4.26Å; L281-V327 HydrophobicContact CD1-CG1 4.07Å; L281-V327 HydrophobicContact CG-CG1 4.12Å; L281-F328 PolarHBondContact N-O 2.81Å; L281-M329 HydrophobicContact CB-CG 4.03Å; L281-M329 HydrophobicContact CD1-CG 3.95Å; L281-M329 HydrophobicContact CD1-SD 4.33Å; L281-M329 HydrophobicContact CG-CG 4.29Å; L281-M329 WeakPolarHBondContact O-CA 3.33Å; L281-T330 PolarHBondContact O-N 2.88Å
282E90.3Very high82.6Confident72 Ų7248.2 Ų48.234%0.33625%0.251SS..EExtended strand (participates in β ladder)trans-86.8146176.8-68.6-153.9141.500112.4S237 L280 V284 T330S237-E282 WeakPolarHBondContact CB-OE1 3.08Å; S237-E282 PolarHBondContact OG-OE1 3.46Å; L280-E282 HydrophobicContact CD1-CG 4.19Å; L280-E282 HydrophobicContact CD2-CG 4.19Å; L280-E282 HydrophobicContact CG-CG 3.93Å; E282-V284 VanDerWaalsContact C-N 3.35Å; E282-V284 PolarHBondContact O-N 2.8Å; E282-T330 WeakPolarHBondContact CA-OG1 3.28Å
283D85.7Confident81.3Confident68 Ų6849.2 Ų49.236%0.36425%0.254SS..  trans47.154174.9-64.1-38.6000112.6D285 A286 T330 N332D283-D285 PolarHBondContact O-N 3.32Å; D283-A286 HydrophobicContact CB-CB 4.37Å; D283-A286 VanDerWaalsContact O-CB 3.3Å; D283-A286 WeakPolarHBondContact O-CB 3.45Å; D283-A286 PolarHBondContact O-N 3.18Å; D283-T330 WeakPolarHBondContact CA-O 3.34Å; D283-T330 PolarHBondContact N-O 2.99Å; D283-T330 VanDerWaalsContact N-O 3.13Å; D283-T330 PolarHBondContact N-OG1 2.75Å; D283-N332 PolarHBondContact OD1-ND2 3.34Å; D283-N332 VanDerWaalsContact OD1-ND2 3.09Å
284V88.4Confident79.9Confident0 Ų049.5 Ų49.50%026%0.256CS..THydrogen-bonded Turntrans-58.5-24.8-177-69.90000112.8L256 L281 E282 A286 A287 F288 M329 T330 L337L256-V284 HydrophobicContact CD1-CB 4.34Å; L256-V284 HydrophobicContact CD1-CG1 3.89Å; L281-V284 HydrophobicContact CB-CG1 3.71Å; E282-V284 VanDerWaalsContact C-N 3.35Å; E282-V284 PolarHBondContact O-N 2.8Å; V284-A286 VanDerWaalsContact C-N 3.29Å; V284-A286 PolarHBondContact O-N 3.18Å; V284-A287 WeakPolarHBondContact O-CB 3.25Å; V284-A287 PolarHBondContact O-N 3.35Å; V284-F288 WeakPolarHBondContact O-CD2 3.33Å; V284-F288 WeakPolarHBondContact O-CE2 3.43Å; V284-M329 HydrophobicContact CG1-CB 4.08Å; V284-M329 HydrophobicContact CG1-CG 3.9Å; V284-M329 HydrophobicContact CG1-SD 4.28Å; V284-M329 HydrophobicContact CG2-CB 4.36Å; V284-T330 WeakPolarHBondContact CG2-O 3.46Å; V284-T330 PolarHBondContact N-O 2.84Å; V284-T330 VanDerWaalsContact N-O 3.08Å; V284-L337 HydrophobicContact CG2-CD1 4.25Å; V284-L337 HydrophobicContact CG2-CD2 3.93Å
285D82.8Confident78.6Confident9 Ų953.2 Ų53.25%0.04828%0.278CS..THydrogen-bonded Turntrans-65.7-25.4174.254.6-61.8000113.8D283 A287 F288 L289 T331 H333 R336 L337D283-D285 PolarHBondContact O-N 3.32Å; D285-A287 VanDerWaalsContact C-N 3.27Å; D285-A287 PolarHBondContact O-N 2.71Å; D285-F288 WeakPolarHBondContact O-CB 3.36Å; D285-F288 PolarHBondContact O-N 3.1Å; D285-F288 VanDerWaalsContact O-N 3.1Å; D285-L289 PolarHBondContact O-N 3.35Å; D285-T331 WeakPolarHBondContact CB-OG1 3.37Å; D285-T331 WeakPolarHBondContact OD1-CA 3.45Å; D285-T331 WeakPolarHBondContact OD1-CB 3.34Å; D285-T331 PolarHBondContact OD1-OG1 3.45Å; D285-H333 IonicContact OD2-CD2 2.71Å; D285-H333 PolarHBondContact OD2-CD2 3.48Å; D285-R336 HydrophobicContact CB-CB 4.37Å; D285-L337 HydrophobicContact CB-CD2 4.23Å
286A75.1Confident77.7Confident24 Ų2451.2 Ų51.220%0.19827%0.269CS..Hα-helixtrans-68.7-26.4178.300000113.1T257 D283 V284 F288 L289 S290T257-A286 HydrophobicContact CG2-CB 3.66Å; D283-A286 HydrophobicContact CB-CB 4.37Å; D283-A286 VanDerWaalsContact O-CB 3.3Å; D283-A286 WeakPolarHBondContact O-CB 3.45Å; D283-A286 PolarHBondContact O-N 3.18Å; V284-A286 VanDerWaalsContact C-N 3.29Å; V284-A286 PolarHBondContact O-N 3.18Å; A286-F288 PolarHBondContact O-N 3.43Å; A286-L289 PolarHBondContact O-N 2.9Å; A286-S290 PolarHBondContact O-N 3.37Å; A286-S290 PolarHBondContact O-OG 2.59Å
287A73.4Confident76.5Confident26 Ų2648.5 Ų48.522%0.21526%0.259CS..Hα-helixtrans-63.8-30.6172.600000111.7L256 V284 D285L256-A287 HydrophobicContact CB-CB 4.03Å; L256-A287 HydrophobicContact CD1-CB 4.21Å; V284-A287 WeakPolarHBondContact O-CB 3.25Å; V284-A287 PolarHBondContact O-N 3.35Å; D285-A287 VanDerWaalsContact C-N 3.27Å; D285-A287 PolarHBondContact O-N 2.71Å
288F68.3Low75.1Confident20 Ų2051.4 Ų51.49%0.08828%0.278CS..Hα-helixtrans-80.2-36.8179.9-59.7-95.6000112.2V284 D285 A286 S290 R291 D292 F309 L337 D338 L341V284-F288 WeakPolarHBondContact O-CD2 3.33Å; V284-F288 WeakPolarHBondContact O-CE2 3.43Å; D285-F288 WeakPolarHBondContact O-CB 3.36Å; D285-F288 PolarHBondContact O-N 3.1Å; D285-F288 VanDerWaalsContact O-N 3.1Å; A286-F288 PolarHBondContact O-N 3.43Å; F288-S290 PolarHBondContact O-N 3.43Å; F288-R291 WeakPolarHBondContact O-CB 3.39Å; F288-R291 PolarHBondContact O-N 3.29Å; F288-D292 PolarHBondContact O-N 3.39Å; F288-F309 HydrophobicContact CD1-CD2 4.33Å; F288-F309 AromaticContact CE1-CD2 3.37Å; F288-F309 HydrophobicContact CE1-CD2 3.37Å; F288-F309 AromaticContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CG 4.23Å; F288-F309 HydrophobicContact CE1-CZ 4.15Å; F288-F309 AromaticContact CZ-CD2 3.73Å; F288-F309 HydrophobicContact CZ-CD2 3.73Å; F288-F309 AromaticContact CZ-CE2 3.53Å; F288-F309 HydrophobicContact CZ-CE2 3.53Å; F288-L337 HydrophobicContact CD2-CD2 4.04Å; F288-L337 HydrophobicContact CE2-CD2 3.53Å; F288-L337 HydrophobicContact CZ-CD2 4.16Å; F288-D338 HydrophobicContact CE1-CB 4.17Å; F288-L341 HydrophobicContact CE2-CD2 4.18Å; F288-L341 HydrophobicContact CZ-CD2 3.85Å
289L64.1Low73.7Confident77 Ų7757.3 Ų57.340%0.40331%0.313SS..Hα-helixtrans-60.5-36.5174.3-71.5168.5000112.3D285 A286 R291 D292 L293D285-L289 PolarHBondContact O-N 3.35Å; A286-L289 PolarHBondContact O-N 2.9Å; L289-R291 PolarHBondContact O-N 3.18Å; L289-D292 PolarHBondContact O-N 2.95Å; L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.47Å
290S58.9Low72Confident26 Ų2665.2 Ų65.218%0.18235%0.348CS..Hα-helixtrans-64.6-25.5175.7-67.90000113.1A286 F288 A294 R306A286-S290 PolarHBondContact O-N 3.37Å; A286-S290 PolarHBondContact O-OG 2.59Å; F288-S290 PolarHBondContact O-N 3.43Å; S290-A294 WeakPolarHBondContact O-CB 3.27Å; S290-A294 PolarHBondContact O-N 3.22Å; S290-R306 PolarHBondContact OG-NH2 3.14Å
291R62.8Low70Confident132 Ų13268.5 Ų68.550%0.49836%0.361SS..Hα-helixtrans-72.5-49176.5178-169.8173.1-172.1-2.2110.9F288 L289 L293 A294 V295F288-R291 WeakPolarHBondContact O-CB 3.39Å; F288-R291 PolarHBondContact O-N 3.29Å; L289-R291 PolarHBondContact O-N 3.18Å; R291-L293 VanDerWaalsContact C-N 3.27Å; R291-L293 PolarHBondContact O-N 3.49Å; R291-A294 WeakPolarHBondContact O-CB 3.19Å; R291-A294 PolarHBondContact O-N 2.92Å; R291-V295 WeakPolarHBondContact O-CG2 3.42Å; R291-V295 PolarHBondContact O-N 2.89Å
292D63.3Low67.7Low95 Ų9575.8 Ų75.851%0.50839%0.394SS..Hα-helixtrans-59.7-42.8-178.4-62.7-23.5000110.5F288 L289 A294 V295 E296F288-D292 PolarHBondContact O-N 3.39Å; L289-D292 PolarHBondContact O-N 2.95Å; D292-A294 VanDerWaalsContact C-N 3.34Å; D292-A294 PolarHBondContact O-N 3.29Å; D292-V295 PolarHBondContact O-N 2.95Å; D292-E296 PolarHBondContact O-N 2.93Å; D292-E296 VanDerWaalsContact O-N 3.09Å
293L62.8Low65.9Low85 Ų8576.4 Ų76.445%0.44542%0.42SS..Hα-helixtrans-65.5-32.9175-65.3172.6000113.6L289 R291 N297L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.47Å; R291-L293 VanDerWaalsContact C-N 3.27Å; R291-L293 PolarHBondContact O-N 3.49Å; L293-N297 PolarHBondContact O-N 3.49Å; L293-N297 VanDerWaalsContact O-N 3.08Å
294A61.5Low64.5Low33 Ų3377.6 Ų77.627%0.27343%0.426SS..Hα-helixtrans-72.9-31.7176.700000112.5S290 R291 D292 Y301S290-A294 WeakPolarHBondContact O-CB 3.27Å; S290-A294 PolarHBondContact O-N 3.22Å; R291-A294 WeakPolarHBondContact O-CB 3.19Å; R291-A294 PolarHBondContact O-N 2.92Å; D292-A294 VanDerWaalsContact C-N 3.34Å; D292-A294 PolarHBondContact O-N 3.29Å; A294-Y301 HydrophobicContact CB-CD2 4.17Å; A294-Y301 HydrophobicContact CB-CG 4.14Å
295V64.3Low63.2Low109 Ų10980.4 Ų80.466%0.66146%0.455SS*.Hα-helixtrans-69.7-38.3173175.20000110.8R291 D292R291-V295 WeakPolarHBondContact O-CG2 3.42Å; R291-V295 PolarHBondContact O-N 2.89Å; D292-V295 PolarHBondContact O-N 2.95Å
296E64.6Low62.7Low140 Ų14083 Ų8365%0.65446%0.464SS*.Hα-helixtrans-72.9-32.1178-73.1-177.3166.500113.7D292 P298D292-E296 PolarHBondContact O-N 2.93Å; D292-E296 VanDerWaalsContact O-N 3.09Å; E296-P298 VanDerWaalsContact C-CD 3.48Å; E296-P298 WeakPolarHBondContact O-CD 3.42Å
297N65.4Low63Low89 Ų8983.3 Ų83.348%0.47646%0.462SS..  trans-127.962.3-176.1-71.4-74.4000113.9L293 V299 K300 Y301L293-N297 PolarHBondContact O-N 3.49Å; L293-N297 VanDerWaalsContact O-N 3.08Å; N297-V299 VanDerWaalsContact C-N 3.25Å; N297-V299 PolarHBondContact O-N 3.4Å; N297-V299 VanDerWaalsContact O-N 3.1Å; N297-K300 PolarHBondContact O-N 3.49Å; N297-K300 VanDerWaalsContact O-N 3.13Å; N297-Y301 HydrophobicContact CB-CD2 4.33Å; N297-Y301 HydrophobicContact CB-CE2 4.25Å; N297-Y301 VanDerWaalsContact O-CD2 3.3Å; N297-Y301 WeakPolarHBondContact O-CD2 3.26Å
298P63.3Low63.4Low72 Ų7285.1 Ų85.147%0.46847%0.471SS..Hα-helixtrans-59.5-30.4-171.120.8-31.8000114.2E296 K300 Y301 Q302E296-P298 VanDerWaalsContact C-CD 3.48Å; E296-P298 WeakPolarHBondContact O-CD 3.42Å; P298-K300 PolarHBondContact O-N 2.86Å; P298-Y301 PolarHBondContact O-N 2.9Å; P298-Q302 WeakPolarHBondContact O-CB 3.24Å; P298-Q302 WeakPolarHBondContact O-CG 3.37Å; P298-Q302 PolarHBondContact O-N 3.36Å
299V65.3Low64Low123 Ų12386 Ų8675%0.74548%0.475SS*.Hα-helixtrans-69.1-32.1-178.8-174.70000112.5N297 Y301N297-V299 VanDerWaalsContact C-N 3.25Å; N297-V299 PolarHBondContact O-N 3.4Å; N297-V299 VanDerWaalsContact O-N 3.1Å; V299-Y301 VanDerWaalsContact C-N 3.34Å
300K60.4Low64.8Low167 Ų16786 Ų8673%0.72648%0.481SS*.Hα-helixtrans-80.1-20.4179.7-162.7176.5-179.2-178.90112.4N297 P298N297-K300 PolarHBondContact O-N 3.49Å; N297-K300 VanDerWaalsContact O-N 3.13Å; P298-K300 PolarHBondContact O-N 2.86Å
301Y55.8Low66.2Low71 Ų7184.9 Ų84.928%0.27847%0.473SS..Hα-helixtrans-112.3-1.8-175.8-64.6-76000113.8A294 N297 P298 V299 G303 L304A294-Y301 HydrophobicContact CB-CD2 4.17Å; A294-Y301 HydrophobicContact CB-CG 4.14Å; N297-Y301 HydrophobicContact CB-CD2 4.33Å; N297-Y301 HydrophobicContact CB-CE2 4.25Å; N297-Y301 VanDerWaalsContact O-CD2 3.3Å; N297-Y301 WeakPolarHBondContact O-CD2 3.26Å; P298-Y301 PolarHBondContact O-N 2.9Å; V299-Y301 VanDerWaalsContact C-N 3.34Å; Y301-G303 PolarHBondContact O-N 3.45Å; Y301-L304 HydrophobicContact CD1-CD1 4.27Å
302Q45.6Very low67.4Low153 Ų15378.7 Ų78.772%0.71545%0.45SS*.THydrogen-bonded Turntrans-64.8121.2173-104.5176.4-20.500110.9P298P298-Q302 WeakPolarHBondContact O-CB 3.24Å; P298-Q302 WeakPolarHBondContact O-CG 3.37Å; P298-Q302 PolarHBondContact O-N 3.36Å
303G52.8Low68.6Low85 Ų8575 Ų7588%0.87643%0.43SS*.THydrogen-bonded Turntrans95.2-5.817400000116Y301 G305Y301-G303 PolarHBondContact O-N 3.45Å; G303-G305 PolarHBondContact O-N 3.28Å
304L56.6Low69.7Low94 Ų9475.4 Ų75.449%0.49243%0.433SS..  trans-78.1112.6168.2-75.4159.3000108.2Y301 R306Y301-L304 HydrophobicContact CD1-CD1 4.27Å; L304-R306 PolarHBondContact O-N 3.02Å
305G60.2Low71Confident59 Ų5973.9 Ų73.961%0.60842%0.42SS*.  trans-67.961.9172.300000111.6S262 G303S262-G305 VanDerWaalsContact CA-O 3.28Å; S262-G305 WeakPolarHBondContact CA-O 3.4Å; S262-G305 WeakPolarHBondContact CB-O 3.44Å; G303-G305 PolarHBondContact O-N 3.28Å
306R73.4Confident72.1Confident64 Ų6469.1 Ų69.124%0.24239%0.391CS..PPolyproline II helixtrans-88.9152.1-172.6-161.1173.8-175.2-171.1-3.2110.2L261 S290 L304 T308L261-R306 CarbonylContact O-C 3.57Å; S290-R306 PolarHBondContact OG-NH2 3.14Å; L304-R306 PolarHBondContact O-N 3.02Å; R306-T308 PolarHBondContact O-N 3.03Å
307L79.9Confident73Confident29 Ų2964.6 Ų64.615%0.15237%0.371CS..PPolyproline II helixtrans-50.9123.7174.6179.366.8000111.2L256 L261 D263 L266 L312L256-L307 HydrophobicContact CB-CD2 4.1Å; L256-L307 HydrophobicContact CD2-CD2 3.81Å; L256-L307 HydrophobicContact CG-CD2 4.38Å; L261-L307 HydrophobicContact CD2-CD2 4.01Å; L261-L307 PolarHBondContact O-N 3.45Å; D263-L307 WeakPolarHBondContact OD1-CA 3.38Å; L266-L307 HydrophobicContact CB-CD1 4.23Å; L266-L307 HydrophobicContact CD2-CD1 3.37Å; L266-L307 HydrophobicContact CD2-CD2 4.32Å; L266-L307 HydrophobicContact CG-CD1 4.41Å; L307-L312 HydrophobicContact CD1-CB 4.31Å
308T82.1Confident73.6Confident64 Ų6461 Ų6139%0.39336%0.356SS..PPolyproline II helixtrans-95.5155.4172780000110.2D263 R306 S310 G311 L312D263-T308 PolarHBondContact OD1-N 2.9Å; D263-T308 PolarHBondContact OD1-OG1 3.12Å; D263-T308 WeakPolarHBondContact OD2-CG2 3.16Å; D263-T308 PolarHBondContact OD2-OG1 3.26Å; R306-T308 PolarHBondContact O-N 3.03Å; T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 3.15Å; T308-G311 PolarHBondContact O-N 2.93Å; T308-G311 PolarHBondContact OG1-N 2.98Å; T308-L312 PolarHBondContact O-N 2.93Å
309F80.3Confident74.1Confident40 Ų4065.1 Ų65.118%0.17538%0.379CS..Hα-helixtrans-61.3-44.3175.5176.7-118.5000111.5F288 G311 L312 L313 D338 L341F288-F309 HydrophobicContact CD1-CD2 4.33Å; F288-F309 AromaticContact CE1-CD2 3.37Å; F288-F309 HydrophobicContact CE1-CD2 3.37Å; F288-F309 AromaticContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CG 4.23Å; F288-F309 HydrophobicContact CE1-CZ 4.15Å; F288-F309 AromaticContact CZ-CD2 3.73Å; F288-F309 HydrophobicContact CZ-CD2 3.73Å; F288-F309 AromaticContact CZ-CE2 3.53Å; F288-F309 HydrophobicContact CZ-CE2 3.53Å; F309-G311 VanDerWaalsContact C-N 3.26Å; F309-G311 PolarHBondContact O-N 3.39Å; F309-L312 PolarHBondContact O-N 3.45Å; F309-L313 HydrophobicContact CD1-CD1 4.04Å; F309-L313 HydrophobicContact CD1-CG 4.39Å; F309-L313 HydrophobicContact CD2-CG 4.27Å; F309-L313 HydrophobicContact CE1-CD1 3.42Å; F309-L313 VanDerWaalsContact CE1-CD1 3.42Å; F309-L313 HydrophobicContact CE1-CD2 4.48Å; F309-L313 HydrophobicContact CE1-CG 3.99Å; F309-L313 HydrophobicContact CE2-CD1 4.14Å; F309-L313 HydrophobicContact CE2-CD2 3.7Å; F309-L313 HydrophobicContact CE2-CG 3.81Å; F309-L313 HydrophobicContact CZ-CD1 3.46Å; F309-L313 VanDerWaalsContact CZ-CD1 3.46Å; F309-L313 HydrophobicContact CZ-CD2 3.69Å; F309-L313 HydrophobicContact CZ-CG 3.66Å; F309-L313 WeakPolarHBondContact O-CG 3.25Å; F309-L313 PolarHBondContact O-N 3.29Å; F309-D338 HydrophobicContact CE1-CB 3.94Å; F309-D338 WeakPolarHBondContact CE1-OD2 3.41Å; F309-D338 HydrophobicContact CE2-CB 4.09Å; F309-D338 HydrophobicContact CZ-CB 3.41Å; F309-D338 VanDerWaalsContact CZ-CB 3.41Å; F309-L341 HydrophobicContact CE2-CB 4.26Å; F309-L341 HydrophobicContact CZ-CB 4.43Å
310S82.4Confident74.4Confident75 Ų7563.9 Ų63.952%0.52438%0.382SS..Hα-helixtrans-59.2-38.5174.4-57.90000111.9T308 L313 N314T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 3.15Å; S310-L313 PolarHBondContact O-N 3.42Å; S310-N314 WeakPolarHBondContact O-CB 3.41Å; S310-N314 PolarHBondContact O-N 3.35Å; S310-N314 PolarHBondContact O-ND2 2.95Å
311G86.5Confident74.9Confident3 Ų356.6 Ų56.63%0.03135%0.352CS..Hα-helixtrans-59.1-50.4173.200000112.9D263 T308 F309 L313 N314 A315D263-G311 VanDerWaalsContact CG-CA 3.48Å; T308-G311 PolarHBondContact O-N 2.93Å; T308-G311 PolarHBondContact OG1-N 2.98Å; F309-G311 VanDerWaalsContact C-N 3.26Å; F309-G311 PolarHBondContact O-N 3.39Å; G311-L313 VanDerWaalsContact C-N 3.35Å; G311-L313 PolarHBondContact O-N 2.9Å; G311-N314 PolarHBondContact O-N 2.91Å; G311-A315 WeakPolarHBondContact O-CB 3.39Å; G311-A315 PolarHBondContact O-N 3.31Å
312L88.4Confident75.8Confident2 Ų255.7 Ų55.71%0.0135%0.354CS..Hα-helixtrans-58.3-45.9175175.862.7000111.9L256 L266 L281 L307 T308 F309 N314 A315 L316 L341L256-L312 HydrophobicContact CD1-CD1 4.32Å; L256-L312 HydrophobicContact CD1-CD2 3.99Å; L256-L312 HydrophobicContact CD2-CD1 4.45Å; L266-L312 HydrophobicContact CD2-CB 4.3Å; L266-L312 HydrophobicContact CD2-CD1 3.78Å; L281-L312 HydrophobicContact CD1-CD1 4.33Å; L307-L312 HydrophobicContact CD1-CB 4.31Å; T308-L312 PolarHBondContact O-N 2.93Å; F309-L312 PolarHBondContact O-N 3.45Å; L312-N314 VanDerWaalsContact C-N 3.33Å; L312-N314 PolarHBondContact O-N 3.09Å; L312-A315 PolarHBondContact O-N 3.37Å; L312-L316 HydrophobicContact CD1-CD1 4.21Å; L312-L316 HydrophobicContact CD1-CG 4.27Å; L312-L316 HydrophobicContact CG-CD1 4.31Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 3.28Å; L312-L341 HydrophobicContact CD2-CD1 4.32Å
313L88.6Confident77.5Confident17 Ų1755.1 Ų55.19%0.08935%0.351CS..Hα-helixtrans-61.7-40.3179-73.3-166.5000112.8F309 S310 G311 D317 A340 L341 R346F309-L313 HydrophobicContact CD1-CD1 4.04Å; F309-L313 HydrophobicContact CD1-CG 4.39Å; F309-L313 HydrophobicContact CD2-CG 4.27Å; F309-L313 HydrophobicContact CE1-CD1 3.42Å; F309-L313 VanDerWaalsContact CE1-CD1 3.42Å; F309-L313 HydrophobicContact CE1-CD2 4.48Å; F309-L313 HydrophobicContact CE1-CG 3.99Å; F309-L313 HydrophobicContact CE2-CD1 4.14Å; F309-L313 HydrophobicContact CE2-CD2 3.7Å; F309-L313 HydrophobicContact CE2-CG 3.81Å; F309-L313 HydrophobicContact CZ-CD1 3.46Å; F309-L313 VanDerWaalsContact CZ-CD1 3.46Å; F309-L313 HydrophobicContact CZ-CD2 3.69Å; F309-L313 HydrophobicContact CZ-CG 3.66Å; F309-L313 WeakPolarHBondContact O-CG 3.25Å; F309-L313 PolarHBondContact O-N 3.29Å; S310-L313 PolarHBondContact O-N 3.42Å; G311-L313 VanDerWaalsContact C-N 3.35Å; G311-L313 PolarHBondContact O-N 2.9Å; L313-D317 PolarHBondContact O-N 2.84Å; L313-A340 HydrophobicContact CD1-CB 4.31Å; L313-L341 HydrophobicContact CD2-CB 4.1Å; L313-L341 HydrophobicContact CD2-CD1 3.62Å; L313-L341 HydrophobicContact CD2-CG 4.49Å; L313-R346 PolarHBondContact O-NH2 3.36Å
314N87.3Confident78.9Confident95 Ų9554.4 Ų54.451%0.50834%0.337SS..Hα-helixtrans-72.2-30.7175.5-71.9-19.7000111.8S310 G311 L312 G318S310-N314 WeakPolarHBondContact O-CB 3.41Å; S310-N314 PolarHBondContact O-N 3.35Å; S310-N314 PolarHBondContact O-ND2 2.95Å; G311-N314 PolarHBondContact O-N 2.91Å; L312-N314 VanDerWaalsContact C-N 3.33Å; L312-N314 PolarHBondContact O-N 3.09Å; N314-G318 WeakPolarHBondContact O-CA 3.38Å; N314-G318 PolarHBondContact O-N 3.47Å
315A87.7Confident80.5Confident0 Ų050.4 Ų50.40%032%0.315CS..Hα-helixtrans-73.2-32.9177.500000112.9L266 N267 L270 G311 L312 S321 R325L266-A315 HydrophobicContact CD2-CB 3.74Å; L266-A315 HydrophobicContact CG-CB 3.76Å; N267-A315 WeakPolarHBondContact OD1-CA 3.43Å; N267-A315 WeakPolarHBondContact OD1-CB 3.47Å; L270-A315 HydrophobicContact CD1-CB 3.73Å; L270-A315 WeakPolarHBondContact CD1-O 3.32Å; G311-A315 WeakPolarHBondContact O-CB 3.39Å; G311-A315 PolarHBondContact O-N 3.31Å; L312-A315 PolarHBondContact O-N 3.37Å; A315-S321 PolarHBondContact O-OG 3.42Å; A315-R325 PolarHBondContact O-NH1 3.01Å
316L87.1Confident82.1Confident9 Ų948 Ų485%0.04729%0.288CS..Hα-helixtrans-73.8-43.7176.7-68.9174.8000112.6L281 L312 V327 M329 L341 R346L281-L316 HydrophobicContact CD1-CD2 4.26Å; L312-L316 HydrophobicContact CD1-CD1 4.21Å; L312-L316 HydrophobicContact CD1-CG 4.27Å; L312-L316 HydrophobicContact CG-CD1 4.31Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 3.28Å; L316-V327 HydrophobicContact CD2-CG1 4.17Å; L316-V327 HydrophobicContact CD2-CG2 4.5Å; L316-M329 HydrophobicContact CD1-CE 4.4Å; L316-M329 HydrophobicContact CD1-SD 4.35Å; L316-L341 HydrophobicContact CD1-CD1 3.62Å; L316-R346 HydrophobicContact CB-CG 4.42Å
317D83.8Confident83.1Confident45 Ų4545.4 Ų45.424%0.24128%0.28CS..Hα-helixtrans-127.822.3-170.8-166.827.1000114R223 L313 R343 R346R223-D317 IonicContact NH2-OD1 3.68Å; R223-D317 PolarHBondContact NH2-OD1 2.93Å; L313-D317 PolarHBondContact O-N 2.84Å; D317-R343 IonicContact OD2-CZ 3.34Å; D317-R343 IonicContact OD2-NH1 3.39Å; D317-R343 PolarHBondContact OD2-NH1 2.82Å; D317-R343 IonicContact OD2-NH2 2.68Å; D317-R343 PolarHBondContact OD2-NH2 3.07Å; D317-R346 HydrophobicContact CB-CG 3.83Å
318G77.6Confident84Confident15 Ų1544 Ų4416%0.15527%0.273CS..  trans-70154.6178.100000112.7N314 A320 S321N314-G318 WeakPolarHBondContact O-CA 3.38Å; N314-G318 PolarHBondContact O-N 3.47Å; G318-A320 PolarHBondContact O-N 3.44Å; G318-S321 VanDerWaalsContact O-CB 3.3Å; G318-S321 WeakPolarHBondContact O-CB 3.45Å; G318-S321 PolarHBondContact O-N 2.69Å; G318-S321 VanDerWaalsContact O-N 3.11Å; G318-S321 PolarHBondContact O-OG 3.22Å
319V73.5Confident84.6Confident158 Ų15841 Ų4196%0.95825%0.254SS*.THydrogen-bonded Turntrans-62.4-28.8174.7-177.10000111.5S321V319-S321 VanDerWaalsContact C-N 3.32Å
320A72.3Confident85.4Confident97 Ų9739.2 Ų39.280%0.80225%0.246SC*.THydrogen-bonded Turntrans-84.41.317800000114.1G318G318-A320 PolarHBondContact O-N 3.44Å
321S71.7Confident85.9Confident14 Ų1435.6 Ų35.610%0.09822%0.221CC..PPolyproline II helixtrans-75.1133.1-178.1-72.10000111.9R223 A315 G318 V319R223-S321 PolarHBondContact NH1-O 3.37Å; R223-S321 VanDerWaalsContact NH1-O 3.13Å; A315-S321 PolarHBondContact O-OG 3.42Å; G318-S321 VanDerWaalsContact O-CB 3.3Å; G318-S321 WeakPolarHBondContact O-CB 3.45Å; G318-S321 PolarHBondContact O-N 2.69Å; G318-S321 VanDerWaalsContact O-N 3.11Å; G318-S321 PolarHBondContact O-OG 3.22Å; V319-S321 VanDerWaalsContact C-N 3.32Å
322T74.7Confident86.2Confident52 Ų5237.4 Ų37.432%0.31923%0.23SC..PPolyproline II helixtrans-62.8154.5176.7500000113.7L270 S271 R325L270-T322 PolarHBondContact O-OG1 3.11Å; S271-T322 VanDerWaalsContact O-CG2 3.24Å; S271-T322 WeakPolarHBondContact O-CG2 3.26Å; S271-T322 PolarHBondContact O-OG1 2.88Å; T322-R325 VanDerWaalsContact N-NH2 3.15Å; T322-R325 PolarHBondContact OG1-NH2 2.9Å
323E80.4Confident86.3Confident141 Ų14141.2 Ų41.266%0.65925%0.248SC*.SBendtrans-83.3170.3178-60-175.2166.400111.8
324A83.4Confident86.5Confident69 Ų6942.1 Ų42.157%0.5725%0.254SS*.SBendtrans58.546.1177.600000113.7Y222Y222-A324 VanDerWaalsContact CD1-CA 3.41Å; Y222-A324 HydrophobicContact CD1-CB 3.69Å; Y222-A324 HydrophobicContact CE1-CB 3.76Å; Y222-A324 WeakPolarHBondContact O-CA 3.14Å; Y222-A324 PolarHBondContact O-N 3.45Å
325R88.6Confident86.6Confident11 Ų1145 Ų454%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-116130.1-176.9-165.4-169-58.7159.8-2.4112.1Y222 R223 R224 L270 V279 A315 T322 V327Y222-R325 PolarHBondContact O-N 2.94Å; R223-R325 WeakPolarHBondContact CA-O 3.46Å; R223-R325 HydrophobicContact CG-CB 4.42Å; R224-R325 PolarHBondContact N-O 3.4Å; L270-R325 VanDerWaalsContact C-NH2 3.32Å; L270-R325 PolarHBondContact O-NE 3.22Å; L270-R325 PolarHBondContact O-NH2 3.45Å; V279-R325 HydrophobicContact CG2-CG 4.36Å; A315-R325 PolarHBondContact O-NH1 3.01Å; T322-R325 VanDerWaalsContact N-NH2 3.15Å; T322-R325 PolarHBondContact OG1-NH2 2.9Å; R325-V327 HydrophobicContact CG-CG2 3.99Å
326I94.6Very high86.6Confident7 Ų750.7 Ų50.74%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-109.6123.9169.2-58.4167.8000108.4V205 F208 I209 R224 Y226 L278 V279 F328V205-I326 HydrophobicContact CG1-CD1 4.11Å; F208-I326 HydrophobicContact CD1-CD1 3.93Å; F208-I326 HydrophobicContact CD1-CG1 3.74Å; F208-I326 HydrophobicContact CE1-CD1 4.07Å; F208-I326 HydrophobicContact CE1-CG1 3.49Å; F208-I326 VanDerWaalsContact CE1-CG1 3.49Å; I209-I326 HydrophobicContact CD1-CD1 4.14Å; I209-I326 HydrophobicContact CG1-CD1 4.02Å; R224-I326 WeakPolarHBondContact O-CA 3.05Å; Y226-I326 HydrophobicContact CD2-CG2 3.89Å; Y226-I326 HydrophobicContact CE2-CG2 3.71Å; L278-I326 HydrophobicContact CD2-CB 3.69Å; L278-I326 HydrophobicContact CD2-CD1 3.8Å; L278-I326 HydrophobicContact CD2-CG1 4.33Å; L278-I326 HydrophobicContact CD2-CG2 3.81Å; V279-I326 PolarHBondContact N-O 2.92Å; I326-F328 HydrophobicContact CG2-CD2 3.93Å; I326-F328 HydrophobicContact CG2-CE2 3.58Å
327V95.3Very high86.6Confident11 Ų1150.9 Ų50.97%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-115.7124.9178.5-175.50000109.4R224 G225 Y226 V279 L281 L316 R325 M329R224-V327 PolarHBondContact O-N 2.74Å; G225-V327 WeakPolarHBondContact CA-O 3.27Å; Y226-V327 PolarHBondContact N-O 3.37Å; V279-V327 HydrophobicContact CB-CG2 4.31Å; V279-V327 CarbonylContact O-C 3.59Å; V279-V327 WeakPolarHBondContact O-CA 3.39Å; L281-V327 HydrophobicContact CD1-CG1 4.07Å; L281-V327 HydrophobicContact CG-CG1 4.12Å; L316-V327 HydrophobicContact CD2-CG1 4.17Å; L316-V327 HydrophobicContact CD2-CG2 4.5Å; R325-V327 HydrophobicContact CG-CG2 3.99Å; V327-M329 HydrophobicContact CG1-CG 4.37Å
328F97.3Very high86.8Confident0 Ų051.3 Ų51.30%029%0.294CS..EExtended strand (participates in β ladder)trans-104.8130.3168.4-80.8-93.4000109.8I201 V205 Y226 I240 L243 L278 V279 L280 L281 I326I201-F328 HydrophobicContact CG2-CE1 4.33Å; I201-F328 HydrophobicContact CG2-CZ 4.42Å; V205-F328 HydrophobicContact CG2-CZ 4.04Å; Y226-F328 VanDerWaalsContact CB-CD1 3.49Å; Y226-F328 VanDerWaalsContact CB-CE1 3.48Å; Y226-F328 HydrophobicContact CD1-CE1 4.16Å; Y226-F328 HydrophobicContact CD1-CZ 4.25Å; Y226-F328 HydrophobicContact CD2-CD1 4.46Å; Y226-F328 HydrophobicContact CD2-CD2 4.28Å; Y226-F328 HydrophobicContact CD2-CE1 4.01Å; Y226-F328 AromaticContact CD2-CE2 3.81Å; Y226-F328 HydrophobicContact CD2-CE2 3.81Å; Y226-F328 AromaticContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CE2-CE2 4.31Å; Y226-F328 HydrophobicContact CE2-CZ 4.15Å; Y226-F328 HydrophobicContact CG-CD1 4.11Å; Y226-F328 AromaticContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE2 4.29Å; Y226-F328 AromaticContact CG-CZ 3.71Å; Y226-F328 HydrophobicContact CG-CZ 3.71Å; I240-F328 HydrophobicContact CD1-CB 3.87Å; I240-F328 HydrophobicContact CD1-CD1 4.03Å; I240-F328 HydrophobicContact CD1-CG 4.21Å; I240-F328 HydrophobicContact CG1-CB 4.31Å; I240-F328 HydrophobicContact CG1-CD1 3.82Å; I240-F328 HydrophobicContact CG1-CE1 4.44Å; I240-F328 HydrophobicContact CG1-CG 4.14Å; I240-F328 HydrophobicContact CG2-CB 4.34Å; I240-F328 HydrophobicContact CG2-CG 4.28Å; L243-F328 HydrophobicContact CD2-CE1 4.04Å; L243-F328 HydrophobicContact CD2-CE2 4.1Å; L243-F328 HydrophobicContact CD2-CZ 3.44Å; L243-F328 VanDerWaalsContact CD2-CZ 3.44Å; L278-F328 HydrophobicContact CD1-CD2 4.43Å; L278-F328 HydrophobicContact CD1-CE2 4.21Å; V279-F328 PolarHBondContact O-N 2.54Å; L280-F328 WeakPolarHBondContact CA-O 3.47Å; L280-F328 HydrophobicContact CD1-CB 4.12Å; L281-F328 PolarHBondContact N-O 2.81Å; I326-F328 HydrophobicContact CG2-CD2 3.93Å; I326-F328 HydrophobicContact CG2-CE2 3.58Å
329M96.2Very high87.3Confident1 Ų155.4 Ų55.41%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-113.4136.9172.5-71.3177.9-92.200109.4Y226 L227 L228 L281 V284 L316 V327 V347Y226-M329 PolarHBondContact O-N 3.32Å; L227-M329 WeakPolarHBondContact CA-O 3.48Å; L227-M329 HydrophobicContact CD1-CB 3.78Å; L228-M329 PolarHBondContact N-O 2.56Å; L281-M329 HydrophobicContact CB-CG 4.03Å; L281-M329 HydrophobicContact CD1-CG 3.95Å; L281-M329 HydrophobicContact CD1-SD 4.33Å; L281-M329 HydrophobicContact CG-CG 4.29Å; L281-M329 WeakPolarHBondContact O-CA 3.33Å; V284-M329 HydrophobicContact CG1-CB 4.08Å; V284-M329 HydrophobicContact CG1-CG 3.9Å; V284-M329 HydrophobicContact CG1-SD 4.28Å; V284-M329 HydrophobicContact CG2-CB 4.36Å; L316-M329 HydrophobicContact CD1-CE 4.4Å; L316-M329 HydrophobicContact CD1-SD 4.35Å; V327-M329 HydrophobicContact CG1-CG 4.37Å; M329-V347 HydrophobicContact CE-CG2 3.37Å
330T95.3Very high88Confident1 Ų149.6 Ų49.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-118140.4171.166.20000110.6L228 K236 I240 L280 L281 E282 D283 V284L228-T330 WeakPolarHBondContact O-CA 3.34Å; K236-T330 HydrophobicContact CB-CG2 4.03Å; I240-T330 HydrophobicContact CD1-CG2 3.48Å; I240-T330 VanDerWaalsContact CD1-CG2 3.48Å; L280-T330 HydrophobicContact CD1-CG2 4.14Å; L281-T330 PolarHBondContact O-N 2.88Å; E282-T330 WeakPolarHBondContact CA-OG1 3.28Å; D283-T330 WeakPolarHBondContact CA-O 3.34Å; D283-T330 PolarHBondContact N-O 2.99Å; D283-T330 VanDerWaalsContact N-O 3.13Å; D283-T330 PolarHBondContact N-OG1 2.75Å; V284-T330 WeakPolarHBondContact CG2-O 3.46Å; V284-T330 PolarHBondContact N-O 2.84Å; V284-T330 VanDerWaalsContact N-O 3.08Å
331T94.3Very high88.8Confident0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-143.8150173.5-176.90000111L227 L228 Y229 G230 K236 D285 H333 V334 L337L227-T331 HydrophobicContact CD1-CG2 3.99Å; L228-T331 PolarHBondContact O-N 3.33Å; Y229-T331 WeakPolarHBondContact CA-O 3.32Å; G230-T331 PolarHBondContact N-O 3.15Å; K236-T331 WeakPolarHBondContact CE-O 3.32Å; D285-T331 WeakPolarHBondContact CB-OG1 3.37Å; D285-T331 WeakPolarHBondContact OD1-CA 3.45Å; D285-T331 WeakPolarHBondContact OD1-CB 3.34Å; D285-T331 PolarHBondContact OD1-OG1 3.45Å; T331-H333 PolarHBondContact OG1-N 3.32Å; T331-H333 VanDerWaalsContact OG1-N 3.14Å; T331-V334 HydrophobicContact CG2-CB 4.42Å; T331-L337 HydrophobicContact CG2-CD1 3.88Å
332N93.1Very high89.8Confident41 Ų4146.1 Ų46.122%0.21925%0.252CS..SBendtrans-90.5-20.7170.7-58.8-53.5000112.4G230 K236 D283G230-N332 WeakPolarHBondContact O-CA 3.23Å; K236-N332 PolarHBondContact NZ-OD1 2.83Å; D283-N332 PolarHBondContact OD1-ND2 3.34Å; D283-N332 VanDerWaalsContact OD1-ND2 3.09Å
333H90.2Very high90.6Very high82 Ų8248.4 Ų48.438%0.3826%0.255SS..  trans-135.884.3-172.8-60.2-67.7000110.9D285 T331 D335 R336D285-H333 IonicContact OD2-CD2 2.71Å; D285-H333 PolarHBondContact OD2-CD2 3.48Å; T331-H333 PolarHBondContact OG1-N 3.32Å; T331-H333 VanDerWaalsContact OG1-N 3.14Å; H333-D335 PolarHBondContact O-N 3.45Å; H333-R336 HydrophobicContact CB-CB 4.41Å; H333-R336 HydrophobicContact CB-CG 3.93Å; H333-R336 PolarHBondContact CD2-NH1 3.46Å; H333-R336 PolarHBondContact O-N 2.9Å; H333-R336 VanDerWaalsContact O-N 3.13Å
334V91.7Very high91Very high36 Ų3646.7 Ų46.722%0.21826%0.257CS..G310 helixtrans-59.4-31.1179.768.80000112.6L227 Y229 T331 R336 L337L227-V334 HydrophobicContact CD2-CG2 4.35Å; Y229-V334 HydrophobicContact CD2-CB 3.67Å; Y229-V334 HydrophobicContact CD2-CG1 3.62Å; Y229-V334 HydrophobicContact CD2-CG2 4.15Å; Y229-V334 HydrophobicContact CE2-CB 4.33Å; Y229-V334 HydrophobicContact CE2-CG1 3.9Å; Y229-V334 HydrophobicContact CG-CB 3.97Å; Y229-V334 HydrophobicContact CG-CG1 4.41Å; Y229-V334 HydrophobicContact CG-CG2 4.17Å; T331-V334 HydrophobicContact CG2-CB 4.42Å; V334-R336 PolarHBondContact O-N 2.89Å; V334-R336 VanDerWaalsContact O-N 3.15Å; V334-L337 WeakPolarHBondContact O-CB 3.39Å; V334-L337 PolarHBondContact O-N 3.44Å
335D89.9Confident91.1Very high154 Ų15445.1 Ų45.182%0.82425%0.247SC*.G310 helixtrans-66.1-16.7-178.9-49.2-45.2000113.3H333H333-D335 PolarHBondContact O-N 3.45Å
336R87.3Confident91.2Very high121 Ų12146 Ų4646%0.45725%0.25SS..G310 helixtrans-86.6-10.1175.8-63.8-177.1-179.1165.8-0.9113.1D285 H333 V334D285-R336 HydrophobicContact CB-CB 4.37Å; H333-R336 HydrophobicContact CB-CB 4.41Å; H333-R336 HydrophobicContact CB-CG 3.93Å; H333-R336 PolarHBondContact CD2-NH1 3.46Å; H333-R336 PolarHBondContact O-N 2.9Å; H333-R336 VanDerWaalsContact O-N 3.13Å; V334-R336 PolarHBondContact O-N 2.89Å; V334-R336 VanDerWaalsContact O-N 3.15Å
337L87.6Confident91.2Very high12 Ų1245.8 Ų45.86%0.06325%0.25CC..SBendtrans-82.5133.5-178.9-58.5-175.5000110.4L227 V284 D285 F288 T331 V334 L341 I342L227-L337 HydrophobicContact CD1-CD1 4.09Å; L227-L337 HydrophobicContact CD2-CD1 4.03Å; V284-L337 HydrophobicContact CG2-CD1 4.25Å; V284-L337 HydrophobicContact CG2-CD2 3.93Å; D285-L337 HydrophobicContact CB-CD2 4.23Å; F288-L337 HydrophobicContact CD2-CD2 4.04Å; F288-L337 HydrophobicContact CE2-CD2 3.53Å; F288-L337 HydrophobicContact CZ-CD2 4.16Å; T331-L337 HydrophobicContact CG2-CD1 3.88Å; V334-L337 WeakPolarHBondContact O-CB 3.39Å; V334-L337 PolarHBondContact O-N 3.44Å; L337-L341 HydrophobicContact CD1-CD2 4.45Å; L337-L341 HydrophobicContact CD2-CD2 4.15Å; L337-I342 HydrophobicContact CB-CG2 4.47Å; L337-I342 HydrophobicContact CD1-CG2 4.25Å
338D86.9Confident91.2Very high55 Ų5547.8 Ų47.829%0.29426%0.26SS..  trans-63.2131.7173-171.5-52.2000110.1F288 F309 A340 L341F288-D338 HydrophobicContact CE1-CB 4.17Å; F309-D338 HydrophobicContact CE1-CB 3.94Å; F309-D338 WeakPolarHBondContact CE1-OD2 3.41Å; F309-D338 HydrophobicContact CE2-CB 4.09Å; F309-D338 HydrophobicContact CZ-CB 3.41Å; F309-D338 VanDerWaalsContact CZ-CB 3.41Å; D338-A340 PolarHBondContact O-N 3.38Å; D338-A340 WeakPolarHBondContact OD1-CB 3.34Å; D338-A340 PolarHBondContact OD1-N 3.3Å; D338-L341 WeakPolarHBondContact O-CB 3.29Å; D338-L341 PolarHBondContact O-N 2.96Å
339P89Confident91.2Very high101 Ų10149.2 Ų49.266%0.65627%0.267SS*.THydrogen-bonded Turntrans-51.9-28.8176.7-28.636000114.3L341 I342P339-L341 VanDerWaalsContact C-N 3.29Å; P339-L341 PolarHBondContact O-N 3.34Å; P339-I342 WeakPolarHBondContact O-CG1 3.45Å; P339-I342 PolarHBondContact O-N 2.86Å
340A88.6Confident91.2Very high36 Ų3654 Ų5430%0.29829%0.288SS..THydrogen-bonded Turntrans-66.7-28.2176.700000112.8L313 D338 R343 R346L313-A340 HydrophobicContact CD1-CB 4.31Å; D338-A340 PolarHBondContact O-N 3.38Å; D338-A340 WeakPolarHBondContact OD1-CB 3.34Å; D338-A340 PolarHBondContact OD1-N 3.3Å; A340-R343 WeakPolarHBondContact O-CG 2.97Å; A340-R346 WeakPolarHBondContact O-CD 3.38Å; A340-R346 PolarHBondContact O-NH1 3.29Å
341L89.4Confident91.3Very high1 Ų155.1 Ų55.11%0.00529%0.293CS..THydrogen-bonded Turntrans-69.6-38.6176.4-177.765.8000111.2F288 F309 L312 L313 L316 L337 D338 P339 R343 R346F288-L341 HydrophobicContact CE2-CD2 4.18Å; F288-L341 HydrophobicContact CZ-CD2 3.85Å; F309-L341 HydrophobicContact CE2-CB 4.26Å; F309-L341 HydrophobicContact CZ-CB 4.43Å; L312-L341 HydrophobicContact CD2-CD1 4.32Å; L313-L341 HydrophobicContact CD2-CB 4.1Å; L313-L341 HydrophobicContact CD2-CD1 3.62Å; L313-L341 HydrophobicContact CD2-CG 4.49Å; L316-L341 HydrophobicContact CD1-CD1 3.62Å; L337-L341 HydrophobicContact CD1-CD2 4.45Å; L337-L341 HydrophobicContact CD2-CD2 4.15Å; D338-L341 WeakPolarHBondContact O-CB 3.29Å; D338-L341 PolarHBondContact O-N 2.96Å; P339-L341 VanDerWaalsContact C-N 3.29Å; P339-L341 PolarHBondContact O-N 3.34Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 2.95Å; L341-R346 WeakPolarHBondContact O-CB 3.31Å
342I91.4Very high91.4Very high36 Ų3659.7 Ų59.719%0.18531%0.311CS..THydrogen-bonded Turntrans-94.617.3-170.662.7168.6000114.2L227 L337 P339 V347 K350L227-I342 HydrophobicContact CD2-CG2 3.84Å; L337-I342 HydrophobicContact CB-CG2 4.47Å; L337-I342 HydrophobicContact CD1-CG2 4.25Å; P339-I342 WeakPolarHBondContact O-CG1 3.45Å; P339-I342 PolarHBondContact O-N 2.86Å; I342-V347 HydrophobicContact CG2-CG2 4.43Å; I342-K350 HydrophobicContact CB-CD 4.25Å
343R91.7Very high91.6Very high100 Ų10057.9 Ų57.938%0.37730%0.301SS..SBendtrans-75.2151.2176.872.5-178.1178.895.3-3.1111.4D317 A340 L341 R346 V347D317-R343 IonicContact OD2-CZ 3.34Å; D317-R343 IonicContact OD2-NH1 3.39Å; D317-R343 PolarHBondContact OD2-NH1 2.82Å; D317-R343 IonicContact OD2-NH2 2.68Å; D317-R343 PolarHBondContact OD2-NH2 3.07Å; A340-R343 WeakPolarHBondContact O-CG 2.97Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 2.95Å; R343-R346 HydrophobicContact CG-CB 4.49Å; R343-R346 HydrophobicContact CG-CG 4.37Å; R343-R346 VanDerWaalsContact NE-CZ 3.32Å; R343-R346 VanDerWaalsContact NH2-CZ 3.31Å; R343-R346 VanDerWaalsContact NH2-NH2 3.2Å; R343-R346 PolarHBondContact O-N 2.85Å; R343-V347 PolarHBondContact O-N 2.78Å
344P88.9Confident91.9Very high106 Ų10654 Ų5469%0.68828%0.284SS*.THydrogen-bonded Turntrans-52.5140.5171-26.535.4000112.2R346P344-R346 VanDerWaalsContact C-N 3.32Å
345G85.4Confident92.1Very high36 Ų3655.7 Ų55.737%0.37129%0.287SS..THydrogen-bonded Turntrans91.2-20.7-169.900000114.3D348G345-D348 PolarHBondContact N-OD1 2.85Å
346R91.3Very high92.4Very high28 Ų2848.9 Ų48.911%0.10625%0.252CS..THydrogen-bonded Turntrans-109.4-46.2168.6-69.4179.2178.4155-1.1111.7G225 L313 L316 D317 A340 L341 R343 P344G225-R346 WeakPolarHBondContact CA-O 3.44Å; L313-R346 PolarHBondContact O-NH2 3.36Å; L316-R346 HydrophobicContact CB-CG 4.42Å; D317-R346 HydrophobicContact CB-CG 3.83Å; A340-R346 WeakPolarHBondContact O-CD 3.38Å; A340-R346 PolarHBondContact O-NH1 3.29Å; L341-R346 WeakPolarHBondContact O-CB 3.31Å; R343-R346 HydrophobicContact CG-CB 4.49Å; R343-R346 HydrophobicContact CG-CG 4.37Å; R343-R346 VanDerWaalsContact NE-CZ 3.32Å; R343-R346 VanDerWaalsContact NH2-CZ 3.31Å; R343-R346 VanDerWaalsContact NH2-NH2 3.2Å; R343-R346 PolarHBondContact O-N 2.85Å; P344-R346 VanDerWaalsContact C-N 3.32Å
347V95Very high92.9Very high4 Ų445 Ų452%0.02424%0.242CC..  trans-130.8111.7172.6-178.40000107.7L227 M329 I342 R343 K350L227-V347 HydrophobicContact CB-CG1 3.57Å; L227-V347 HydrophobicContact CB-CG2 4.41Å; M329-V347 HydrophobicContact CE-CG2 3.37Å; I342-V347 HydrophobicContact CG2-CG2 4.43Å; R343-V347 PolarHBondContact O-N 2.78Å; V347-K350 HydrophobicContact CG1-CD 4.22Å; V347-K350 HydrophobicContact CG1-CG 3.49Å; V347-K350 VanDerWaalsContact CG1-CG 3.49Å
348D95.1Very high93.3Very high52 Ų5247.3 Ų47.328%0.27825%0.253SS..SBendtrans-95.9-32.9-177.2-53.4-61.8000111.4R224 G225 G345R224-D348 WeakPolarHBondContact CA-OD2 3.39Å; G225-D348 PolarHBondContact N-OD2 2.94Å; G225-D348 PolarHBondContact O-N 3.11Å; G345-D348 PolarHBondContact N-OD1 2.85Å
349L96.6Very high93.7Very high30 Ų3048.9 Ų48.916%0.15726%0.255CS..EExtended strand (participates in β ladder)trans-127.7127.1177.2-174.164.6000111.3I201 D204 G225 Y226 L227 E351I201-L349 HydrophobicContact CG1-CD2 4.28Å; D204-L349 HydrophobicContact CB-CD2 4.12Å; G225-L349 PolarHBondContact O-N 3.25Å; Y226-L349 WeakPolarHBondContact CA-O 3.46Å; Y226-L349 HydrophobicContact CD1-CB 3.81Å; Y226-L349 HydrophobicContact CD1-CD2 3.91Å; Y226-L349 HydrophobicContact CD1-CG 4.32Å; Y226-L349 HydrophobicContact CE1-CB 4.01Å; Y226-L349 HydrophobicContact CE1-CD2 3.8Å; L227-L349 PolarHBondContact N-O 3.11Å; L349-E351 HydrophobicContact CD1-CG 4.34Å; L349-E351 HydrophobicContact CD2-CG 4.28Å; L349-E351 HydrophobicContact CG-CG 4.06Å
350K96.2Very high94.1Very high103 Ų10344.1 Ų44.145%0.44822%0.224SC..EExtended strand (participates in β ladder)trans-118121177.9-63.6-179.4-67.9-168.60109L227 Y229 I342 V347L227-K350 HydrophobicContact CB-CG 4.2Å; L227-K350 HydrophobicContact CD2-CD 4.34Å; L227-K350 HydrophobicContact CD2-CG 4.22Å; L227-K350 WeakPolarHBondContact O-CA 3.5Å; Y229-K350 HydrophobicContact CE1-CB 4.36Å; I342-K350 HydrophobicContact CB-CD 4.25Å; V347-K350 HydrophobicContact CG1-CD 4.22Å; V347-K350 HydrophobicContact CG1-CG 3.49Å; V347-K350 VanDerWaalsContact CG1-CG 3.49Å
351E97.3Very high94.4Very high23 Ų2342.4 Ų42.411%0.10721%0.21CC..EExtended strand (participates in β ladder)trans-130134.6-177.9-72.3-64.5174.200112.1L197 R200 I201 L227 L228 Y229 L349L197-E351 HydrophobicContact CD1-CB 3.79Å; L197-E351 HydrophobicContact CD1-CG 3.76Å; L197-E351 WeakPolarHBondContact CD1-OE2 3.38Å; R200-E351 WeakPolarHBondContact CD-OE1 3.47Å; R200-E351 IonicContact CZ-OE1 3.75Å; R200-E351 IonicContact NE-OE1 3.85Å; R200-E351 IonicContact NH1-OE1 3.75Å; R200-E351 PolarHBondContact NH1-OE1 3.09Å; R200-E351 IonicContact NH1-OE2 3.98Å; R200-E351 PolarHBondContact NH1-OE2 3.47Å; I201-E351 HydrophobicContact CD1-CB 4.31Å; I201-E351 HydrophobicContact CD1-CG 4.23Å; I201-E351 HydrophobicContact CG1-CG 4.09Å; L227-E351 PolarHBondContact O-N 2.84Å; L228-E351 WeakPolarHBondContact CA-O 3.24Å; L228-E351 HydrophobicContact CD2-CB 3.95Å; Y229-E351 VanDerWaalsContact CD1-O 3.25Å; Y229-E351 WeakPolarHBondContact CD1-O 3.34Å; Y229-E351 PolarHBondContact N-O 3Å; Y229-E351 VanDerWaalsContact N-O 3.09Å; L349-E351 HydrophobicContact CD1-CG 4.34Å; L349-E351 HydrophobicContact CD2-CG 4.28Å; L349-E351 HydrophobicContact CG-CG 4.06Å
352Y97.3Very high94.8Very high96 Ų9642.6 Ų42.638%0.37621%0.211SC..EExtended strand (participates in β ladder)trans-87.4128179.1177.7-109.8000110.7L197 Y229L197-Y352 WeakPolarHBondContact CD2-O 3.49Å; Y229-Y352 AromaticContact CD2-CD2 3.84Å; Y229-Y352 HydrophobicContact CD2-CD2 3.84Å; Y229-Y352 AromaticContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CG 4.27Å; Y229-Y352 CarbonylContact O-C 3.51Å; Y229-Y352 WeakPolarHBondContact O-CA 3.38Å; Y229-Y352 WeakPolarHBondContact O-CD2 3.49Å
353V97.4Very high95Very high3 Ų343 Ų432%0.01821%0.212CC..  trans-118.593.1177.4-174.80000108.9L193 L197 L228 Y229 C234 K236L193-V353 HydrophobicContact CD2-CG1 3.86Å; L197-V353 HydrophobicContact CD2-CG2 4.18Å; L228-V353 HydrophobicContact CB-CG2 4.38Å; Y229-V353 PolarHBondContact O-N 3.17Å; C234-V353 HydrophobicContact CB-CG1 3.96Å; C234-V353 WeakPolarHBondContact CB-O 3.4Å; C234-V353 VanDerWaalsContact O-CG1 3.25Å; C234-V353 WeakPolarHBondContact O-CG1 3.46Å; K236-V353 HydrophobicContact CG-CB 3.99Å; K236-V353 HydrophobicContact CG-CG1 4.23Å; K236-V353 HydrophobicContact CG-CG2 4.32Å
354G95.8Very high95.2Very high2 Ų238.7 Ų38.72%0.02120%0.196CC..  trans-98.9-167-173.100000115.9C234C234-G354 WeakPolarHBondContact CB-O 3.31Å; C234-G354 PolarHBondContact SG-O 3.09Å
355Y96.6Very high95.6Very high71 Ų7133.7 Ų33.728%0.27816%0.164SC..SBendtrans-62.1164.8173.5-62.8-68.7000112.6P231 S357 Q360 Q390 I391P231-Y355 HydrophobicContact CB-CE1 4.06Å; P231-Y355 HydrophobicContact CB-CE2 4.2Å; P231-Y355 HydrophobicContact CG-CD2 4.13Å; P231-Y355 HydrophobicContact CG-CE1 4.21Å; P231-Y355 HydrophobicContact CG-CE2 3.53Å; Y355-S357 PolarHBondContact O-N 2.79Å; Y355-Q360 PolarHBondContact O-OE1 2.88Å; Y355-Q390 HydrophobicContact CD1-CB 4.06Å; Y355-Q390 HydrophobicContact CD2-CB 3.84Å; Y355-Q390 HydrophobicContact CD2-CG 3.75Å; Y355-Q390 HydrophobicContact CE1-CB 4.09Å; Y355-Q390 HydrophobicContact CE2-CB 3.89Å; Y355-Q390 HydrophobicContact CE2-CG 3.83Å; Y355-Q390 HydrophobicContact CG-CB 3.93Å; Y355-Q390 HydrophobicContact CG-CG 4.28Å; Y355-Q390 PolarHBondContact OH-OE1 3.3Å; Y355-I391 WeakPolarHBondContact CB-O 3.44Å
356C96.4Very high96Very high11 Ų1135.4 Ų35.47%0.07416%0.162CC..PPolyproline II helixtrans-63.3125.8-177.2-65.90000112.3Q360 L361 I391 P393C356-Q360 HydrophobicContact CB-CB 4.38Å; C356-L361 HydrophobicContact CB-CD2 3.77Å; C356-L361 HydrophobicContact CB-CG 3.91Å; C356-I391 HydrophobicContact CB-CG2 3.95Å; C356-I391 PolarHBondContact N-O 2.75Å; C356-P393 WeakPolarHBondContact SG-CD 3.44Å; C356-P393 VanDerWaalsContact SG-N 3.4Å
357S96.1Very high96.2Very high38 Ų3838.6 Ų38.627%0.26617%0.174SC..PPolyproline II helixtrans-79.1165.716258.20000111.7Y355 W359 Q360 L361Y355-S357 PolarHBondContact O-N 2.79Å; S357-W359 PolarHBondContact O-N 2.85Å; S357-Q360 PolarHBondContact O-N 2.78Å; S357-Q360 WeakPolarHBondContact OG-CG 3.33Å; S357-Q360 PolarHBondContact OG-N 2.88Å; S357-Q360 PolarHBondContact OG-OE1 2.84Å; S357-L361 PolarHBondContact O-N 2.87Å
358H96.1Very high96.2Very high61 Ų6142.3 Ų42.328%0.28219%0.19SC..Hα-helixtrans-49.3-46171-175.1-75.6000112.3Q360 L361 S362 E378 A381 L385H358-Q360 PolarHBondContact O-N 3.36Å; H358-L361 PolarHBondContact O-N 2.95Å; H358-S362 PolarHBondContact O-N 3.41Å; H358-S362 VanDerWaalsContact O-N 3.12Å; H358-S362 PolarHBondContact O-OG 2.87Å; H358-E378 IonicContact CE1-OE1 2.79Å; H358-E378 IonicContact CE1-OE2 3.4Å; H358-E378 PolarHBondContact CE1-OE2 3.48Å; H358-E378 IonicContact NE2-OE2 3.32Å; H358-A381 WeakPolarHBondContact NE2-CB 3.29Å; H358-L385 HydrophobicContact CB-CD1 3.82Å
359W95.9Very high96.2Very high88 Ų8840.4 Ų40.433%0.33318%0.179SC..Hα-helixtrans-60.4-46.3177.4-17587.8000111.9V192 L193 Q195 S357 L361 S362 Q363V192-W359 HydrophobicContact CG1-CZ3 3.97Å; L193-W359 WeakPolarHBondContact O-CZ3 3.34Å; Q195-W359 HydrophobicContact CB-CD2 3.88Å; Q195-W359 HydrophobicContact CB-CE3 4.14Å; Q195-W359 HydrophobicContact CB-CG 4.29Å; Q195-W359 HydrophobicContact CB-CZ2 4.29Å; Q195-W359 HydrophobicContact CB-CZ3 4.47Å; Q195-W359 HydrophobicContact CG-CD2 4.35Å; Q195-W359 HydrophobicContact CG-CZ2 4.07Å; S357-W359 PolarHBondContact O-N 2.85Å; W359-L361 PolarHBondContact O-N 3.3Å; W359-S362 PolarHBondContact O-N 3.02Å; W359-Q363 HydrophobicContact CD2-CG 3.73Å; W359-Q363 HydrophobicContact CE3-CB 4.48Å; W359-Q363 HydrophobicContact CE3-CG 3.91Å; W359-Q363 HydrophobicContact CG-CG 4.37Å; W359-Q363 HydrophobicContact CH2-CG 3.91Å; W359-Q363 HydrophobicContact CZ2-CG 3.73Å; W359-Q363 HydrophobicContact CZ3-CB 4.45Å; W359-Q363 HydrophobicContact CZ3-CG 3.97Å; W359-Q363 VanDerWaalsContact O-CB 3.25Å; W359-Q363 WeakPolarHBondContact O-CB 3.48Å; W359-Q363 WeakPolarHBondContact O-CG 3.23Å; W359-Q363 PolarHBondContact O-N 2.75Å
360Q96.6Very high96.1Very high2 Ų243.7 Ų43.71%0.00920%0.202CC..Hα-helixtrans-62.1-42.7179.1-75.8171.2-75.500112.2V192 L193 Q194 Y355 C356 S357 H358 Q363 M364V192-Q360 HydrophobicContact CG1-CB 4.29Å; V192-Q360 HydrophobicContact CG1-CG 4.17Å; V192-Q360 PolarHBondContact O-NE2 2.76Å; L193-Q360 VanDerWaalsContact C-NE2 3.31Å; L193-Q360 VanDerWaalsContact O-CG 3.22Å; L193-Q360 WeakPolarHBondContact O-CG 3.3Å; Q194-Q360 VanDerWaalsContact CG-OE1 3.29Å; Y355-Q360 PolarHBondContact O-OE1 2.88Å; C356-Q360 HydrophobicContact CB-CB 4.38Å; S357-Q360 PolarHBondContact O-N 2.78Å; S357-Q360 WeakPolarHBondContact OG-CG 3.33Å; S357-Q360 PolarHBondContact OG-N 2.88Å; S357-Q360 PolarHBondContact OG-OE1 2.84Å; H358-Q360 PolarHBondContact O-N 3.36Å; Q360-Q363 PolarHBondContact O-N 3.43Å; Q360-M364 WeakPolarHBondContact O-CB 3.38Å; Q360-M364 VanDerWaalsContact O-CG 3.22Å; Q360-M364 WeakPolarHBondContact O-CG 2.92Å; Q360-M364 PolarHBondContact O-N 2.72Å
361L96.8Very high95.9Very high0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-60.6-47.7178.2-68171.2000111.3C356 S357 H358 W359 Q363 M364 F365 F380 A381 V384 L385 I391 V396C356-L361 HydrophobicContact CB-CD2 3.77Å; C356-L361 HydrophobicContact CB-CG 3.91Å; S357-L361 PolarHBondContact O-N 2.87Å; H358-L361 PolarHBondContact O-N 2.95Å; W359-L361 PolarHBondContact O-N 3.3Å; L361-Q363 VanDerWaalsContact C-N 3.34Å; L361-Q363 PolarHBondContact O-N 2.78Å; L361-M364 PolarHBondContact O-N 3.13Å; L361-F365 WeakPolarHBondContact O-CB 3.43Å; L361-F365 PolarHBondContact O-N 2.88Å; L361-F380 HydrophobicContact CB-CE1 4.49Å; L361-F380 HydrophobicContact CD2-CE1 4.28Å; L361-A381 HydrophobicContact CB-CB 3.74Å; L361-A381 HydrophobicContact CD1-CB 4.29Å; L361-V384 HydrophobicContact CD1-CB 4.06Å; L361-V384 HydrophobicContact CD1-CG1 3.84Å; L361-V384 HydrophobicContact CD2-CG1 4.08Å; L361-L385 HydrophobicContact CD1-CD1 4.38Å; L361-L385 HydrophobicContact CD1-CD2 3.96Å; L361-L385 HydrophobicContact CD1-CG 3.81Å; L361-I391 HydrophobicContact CD2-CG2 4.38Å; L361-V396 HydrophobicContact CD2-CG1 4.49Å; L361-V396 HydrophobicContact CD2-CG2 3.79Å
362S96.1Very high95.8Very high4 Ų446 Ų463%0.02824%0.238CC..Hα-helixtrans-61.2-44.2178.4-54.40000111.5H358 W359 F365 Q366H358-S362 PolarHBondContact O-N 3.41Å; H358-S362 VanDerWaalsContact O-N 3.12Å; H358-S362 PolarHBondContact O-OG 2.87Å; W359-S362 PolarHBondContact O-N 3.02Å; S362-F365 PolarHBondContact O-N 3.45Å; S362-Q366 WeakPolarHBondContact O-CG 3.43Å; S362-Q366 PolarHBondContact O-N 3.02Å; S362-Q366 VanDerWaalsContact O-N 3.1Å
363Q96Very high95.6Very high46 Ų4643.6 Ų43.622%0.21524%0.239CC..Hα-helixtrans-68.2-34.9178.6-77.2-57-58.200113.8V192 W359 Q360 L361 R367V192-Q363 HydrophobicContact CG1-CB 3.58Å; W359-Q363 HydrophobicContact CD2-CG 3.73Å; W359-Q363 HydrophobicContact CE3-CB 4.48Å; W359-Q363 HydrophobicContact CE3-CG 3.91Å; W359-Q363 HydrophobicContact CG-CG 4.37Å; W359-Q363 HydrophobicContact CH2-CG 3.91Å; W359-Q363 HydrophobicContact CZ2-CG 3.73Å; W359-Q363 HydrophobicContact CZ3-CB 4.45Å; W359-Q363 HydrophobicContact CZ3-CG 3.97Å; W359-Q363 VanDerWaalsContact O-CB 3.25Å; W359-Q363 WeakPolarHBondContact O-CB 3.48Å; W359-Q363 WeakPolarHBondContact O-CG 3.23Å; W359-Q363 PolarHBondContact O-N 2.75Å; Q360-Q363 PolarHBondContact O-N 3.43Å; L361-Q363 VanDerWaalsContact C-N 3.34Å; L361-Q363 PolarHBondContact O-N 2.78Å; Q363-R367 WeakPolarHBondContact O-CD 3.5Å; Q363-R367 VanDerWaalsContact O-CG 3.31Å; Q363-R367 WeakPolarHBondContact O-CG 3.41Å; Q363-R367 PolarHBondContact O-N 2.86Å; Q363-R367 PolarHBondContact O-NH1 3.06Å
364M96.2Very high95.5Very high9 Ų947.7 Ų47.74%0.04427%0.265CS..Hα-helixtrans-70.8-44.4173.2-72.3-178.371.700110.5V192 Q360 L361 Q366 R367 F368 P393 V396 F400V192-M364 HydrophobicContact CB-CG 3.78Å; V192-M364 HydrophobicContact CG1-CG 4.14Å; V192-M364 HydrophobicContact CG2-CG 3.8Å; Q360-M364 WeakPolarHBondContact O-CB 3.38Å; Q360-M364 VanDerWaalsContact O-CG 3.22Å; Q360-M364 WeakPolarHBondContact O-CG 2.92Å; Q360-M364 PolarHBondContact O-N 2.72Å; L361-M364 PolarHBondContact O-N 3.13Å; M364-Q366 PolarHBondContact O-N 3.33Å; M364-R367 WeakPolarHBondContact O-CB 3.43Å; M364-R367 PolarHBondContact O-N 3.41Å; M364-R367 VanDerWaalsContact O-N 3.09Å; M364-F368 WeakPolarHBondContact O-CD2 3.33Å; M364-F368 PolarHBondContact O-N 3.44Å; M364-P393 HydrophobicContact CE-CB 4.21Å; M364-P393 HydrophobicContact SD-CB 4.1Å; M364-V396 HydrophobicContact CE-CB 3.88Å; M364-V396 HydrophobicContact CE-CG1 3.75Å; M364-V396 HydrophobicContact SD-CB 4.37Å; M364-V396 HydrophobicContact SD-CG1 4.15Å; M364-F400 HydrophobicContact CB-CE2 4.09Å
365F96.8Very high95.4Very high1 Ų151 Ų510%0.00429%0.288CS..Hα-helixtrans-56.3-49.7178.5-175-86.8000111.9L361 S362 R367 F368 Y369 Q372 L376 A377 F380 F400 P407 I411L361-F365 WeakPolarHBondContact O-CB 3.43Å; L361-F365 PolarHBondContact O-N 2.88Å; S362-F365 PolarHBondContact O-N 3.45Å; F365-R367 PolarHBondContact O-N 3.22Å; F365-F368 PolarHBondContact O-N 2.95Å; F365-Y369 HydrophobicContact CD1-CD2 4.33Å; F365-Y369 AromaticContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CE2 4.06Å; F365-Y369 HydrophobicContact CE1-CD2 4.2Å; F365-Y369 AromaticContact CE2-CD2 3.64Å; F365-Y369 HydrophobicContact CE2-CD2 3.64Å; F365-Y369 AromaticContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CG-CD2 4.14Å; F365-Y369 AromaticContact CZ-CD2 3.87Å; F365-Y369 HydrophobicContact CZ-CD2 3.87Å; F365-Y369 PolarHBondContact O-N 2.84Å; F365-Q372 HydrophobicContact CE1-CB 4.37Å; F365-L376 HydrophobicContact CE1-CB 4.02Å; F365-L376 HydrophobicContact CZ-CB 4.25Å; F365-A377 HydrophobicContact CB-CB 4.2Å; F365-A377 HydrophobicContact CD1-CB 3.68Å; F365-A377 HydrophobicContact CE1-CB 4.45Å; F365-A377 HydrophobicContact CG-CB 4.21Å; F365-F380 HydrophobicContact CB-CD1 4.13Å; F365-F380 HydrophobicContact CD2-CB 3.76Å; F365-F380 AromaticContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD2 4.14Å; F365-F380 AromaticContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CE2-CB 4.04Å; F365-F380 HydrophobicContact CE2-CD2 4.38Å; F365-F380 HydrophobicContact CE2-CG 4.15Å; F365-F380 HydrophobicContact CG-CB 4.36Å; F365-F380 HydrophobicContact CG-CD1 4.37Å; F365-F380 HydrophobicContact CG-CG 4.43Å; F365-F400 HydrophobicContact CB-CZ 4.24Å; F365-F400 HydrophobicContact CD2-CE1 4.09Å; F365-F400 HydrophobicContact CD2-CZ 4.15Å; F365-P407 HydrophobicContact CE2-CB 4.43Å; F365-P407 HydrophobicContact CZ-CB 3.74Å; F365-I411 HydrophobicContact CE2-CD1 4.09Å; F365-I411 HydrophobicContact CE2-CG1 3.96Å; F365-I411 HydrophobicContact CZ-CD1 3.84Å; F365-I411 HydrophobicContact CZ-CG1 4.24Å
366Q95.4Very high95.3Very high71 Ų7149.6 Ų49.633%0.33229%0.285SS..Hα-helixtrans-60.9-28.1178.5-70.4171.92.900113.5S362 M364 Y369 P370 A377S362-Q366 WeakPolarHBondContact O-CG 3.43Å; S362-Q366 PolarHBondContact O-N 3.02Å; S362-Q366 VanDerWaalsContact O-N 3.1Å; M364-Q366 PolarHBondContact O-N 3.33Å; Q366-Y369 CarbonylContact O-C 3.59Å; Q366-P370 WeakPolarHBondContact O-CA 3.44Å; Q366-A377 HydrophobicContact CG-CB 3.97Å
367R93.7Very high95.3Very high96 Ų9649.1 Ų49.136%0.36228%0.282SS..Hα-helixtrans-77.3-40.8176.8-76.7171.1171.381.2-5.6112.7N189 V192 Q363 M364 F365N189-R367 PolarHBondContact O-NE 2.87Å; N189-R367 PolarHBondContact O-NH2 3.23Å; V192-R367 VanDerWaalsContact CG2-CZ 3.46Å; Q363-R367 WeakPolarHBondContact O-CD 3.5Å; Q363-R367 VanDerWaalsContact O-CG 3.31Å; Q363-R367 WeakPolarHBondContact O-CG 3.41Å; Q363-R367 PolarHBondContact O-N 2.86Å; Q363-R367 PolarHBondContact O-NH1 3.06Å; M364-R367 WeakPolarHBondContact O-CB 3.43Å; M364-R367 PolarHBondContact O-N 3.41Å; M364-R367 VanDerWaalsContact O-N 3.09Å; F365-R367 PolarHBondContact O-N 3.22Å
368F95.1Very high95.2Very high82 Ų8251.2 Ų51.236%0.3629%0.287SS..Hα-helixtrans-76.2-29.5178.6-82.4-100.5000112M364 F365 P370 Q397 F400M364-F368 WeakPolarHBondContact O-CD2 3.33Å; M364-F368 PolarHBondContact O-N 3.44Å; F365-F368 PolarHBondContact O-N 2.95Å; F368-P370 WeakPolarHBondContact O-CD 3.13Å; F368-Q397 HydrophobicContact CZ-CB 4.27Å; F368-Q397 HydrophobicContact CZ-CG 3.99Å; F368-F400 HydrophobicContact CB-CB 4.34Å; F368-F400 HydrophobicContact CB-CD2 3.92Å; F368-F400 HydrophobicContact CB-CE2 4.38Å; F368-F400 HydrophobicContact CB-CG 4.18Å; F368-F400 HydrophobicContact CD1-CB 3.45Å; F368-F400 VanDerWaalsContact CD1-CB 3.45Å; F368-F400 AromaticContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CG 4.03Å; F368-F400 AromaticContact CD2-CD2 3.5Å; F368-F400 HydrophobicContact CD2-CD2 3.5Å; F368-F400 AromaticContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CG 4.43Å; F368-F400 HydrophobicContact CE1-CB 3.84Å; F368-F400 HydrophobicContact CE1-CD2 4.22Å; F368-F400 AromaticContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CG-CB 3.92Å; F368-F400 AromaticContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CD2 3.47Å; F368-F400 VanDerWaalsContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CE2 4.2Å; F368-F400 AromaticContact CG-CG 3.96Å; F368-F400 HydrophobicContact CG-CG 3.96Å; F368-F400 HydrophobicContact CZ-CD2 4.25Å
369Y95.9Very high95.2Very high11 Ų1151.7 Ų51.74%0.04329%0.292CS..SBendtrans-125.575178.9-51.9-70.3000110.7F365 Q366 Q372 F400 Y403 P407 A410F365-Y369 HydrophobicContact CD1-CD2 4.33Å; F365-Y369 AromaticContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CE2 4.06Å; F365-Y369 HydrophobicContact CE1-CD2 4.2Å; F365-Y369 AromaticContact CE2-CD2 3.64Å; F365-Y369 HydrophobicContact CE2-CD2 3.64Å; F365-Y369 AromaticContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CG-CD2 4.14Å; F365-Y369 AromaticContact CZ-CD2 3.87Å; F365-Y369 HydrophobicContact CZ-CD2 3.87Å; F365-Y369 PolarHBondContact O-N 2.84Å; Q366-Y369 CarbonylContact O-C 3.59Å; Y369-Q372 WeakPolarHBondContact O-CG 3.45Å; Y369-F400 AromaticContact CE2-CD1 3.66Å; Y369-F400 HydrophobicContact CE2-CD1 3.66Å; Y369-F400 AromaticContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CG 4.29Å; Y369-Y403 VanDerWaalsContact CE1-O 3.31Å; Y369-Y403 WeakPolarHBondContact CE1-O 3.5Å; Y369-Y403 PolarHBondContact OH-O 2.72Å; Y369-P407 HydrophobicContact CD1-CB 3.94Å; Y369-P407 HydrophobicContact CD1-CG 4.42Å; Y369-P407 HydrophobicContact CD2-CB 4.16Å; Y369-P407 HydrophobicContact CE1-CB 4.41Å; Y369-P407 HydrophobicContact CG-CB 3.79Å; Y369-A410 HydrophobicContact CE2-CB 4.14Å
370P94.7Very high95.2Very high100 Ų10047.5 Ų47.565%0.64928%0.276SS*.THydrogen-bonded Turntrans-64.7147.6-179.728.1-35000111.5Q366 F368 Q372Q366-P370 WeakPolarHBondContact O-CA 3.44Å; F368-P370 WeakPolarHBondContact O-CD 3.13Å; P370-Q372 VanDerWaalsContact C-N 3.3Å; P370-Q372 PolarHBondContact O-N 2.8Å
371G92.8Very high95.1Very high88 Ų8847.4 Ų47.491%0.90728%0.275SS*.THydrogen-bonded Turntrans79.93.417700000115.6
372Q94.4Very high95Very high85 Ų8552.3 Ų52.340%0.39730%0.299SS..  trans-80154.9173.9-61.4-56.1-38.900112.1F365 Y369 P370 L376 P407F365-Q372 HydrophobicContact CE1-CB 4.37Å; Y369-Q372 WeakPolarHBondContact O-CG 3.45Å; P370-Q372 VanDerWaalsContact C-N 3.3Å; P370-Q372 PolarHBondContact O-N 2.8Å; Q372-L376 HydrophobicContact CB-CD1 4.26Å; Q372-P407 HydrophobicContact CG-CB 4.25Å; Q372-P407 HydrophobicContact CG-CG 4.18Å
373A93.9Very high94.9Very high47 Ų4757.2 Ų57.239%0.38832%0.317SS..  trans-62.2139.5177.900000111.1S375 L376A373-S375 PolarHBondContact O-N 3.39Å; A373-S375 VanDerWaalsContact O-N 3.16Å; A373-L376 WeakPolarHBondContact O-CB 3.31Å; A373-L376 PolarHBondContact O-N 3.37Å
374P93.4Very high94.8Very high89 Ų8955 Ų5558%0.57831%0.306SS*.Hα-helixtrans-55.9-32.8178.2-27.435.3000113.7L376 A377 E378P374-L376 VanDerWaalsContact C-N 3.26Å; P374-L376 PolarHBondContact O-N 3.04Å; P374-A377 WeakPolarHBondContact O-CB 3.33Å; P374-A377 PolarHBondContact O-N 3.43Å; P374-E378 PolarHBondContact O-N 2.77Å
375S94.9Very high94.7Very high70 Ų7058.3 Ų58.349%0.4932%0.323SS..Hα-helixtrans-58.2-34.9177.3570000113.2A373 A377 E378 D379A373-S375 PolarHBondContact O-N 3.39Å; A373-S375 VanDerWaalsContact O-N 3.16Å; S375-A377 VanDerWaalsContact C-N 3.29Å; S375-A377 PolarHBondContact O-N 3.45Å; S375-E378 PolarHBondContact O-N 3.16Å; S375-D379 PolarHBondContact O-N 2.88Å
376L94.6Very high94.5Very high43 Ų4365.1 Ų65.123%0.22536%0.355CS..Hα-helixtrans-67.8-31.9177.6-69.6171.6000112.2F365 Q372 A373 P374 F380 I411F365-L376 HydrophobicContact CE1-CB 4.02Å; F365-L376 HydrophobicContact CZ-CB 4.25Å; Q372-L376 HydrophobicContact CB-CD1 4.26Å; A373-L376 WeakPolarHBondContact O-CB 3.31Å; A373-L376 PolarHBondContact O-N 3.37Å; P374-L376 VanDerWaalsContact C-N 3.26Å; P374-L376 PolarHBondContact O-N 3.04Å; L376-F380 WeakPolarHBondContact O-CB 3.2Å; L376-F380 PolarHBondContact O-N 2.8Å; L376-I411 HydrophobicContact CB-CD1 3.94Å; L376-I411 HydrophobicContact CD2-CD1 3.78Å; L376-I411 HydrophobicContact CG-CD1 4.43Å; L376-I411 WeakPolarHBondContact O-CD1 3.36Å
377A95.1Very high94.2Very high0 Ų062.3 Ų62.30%035%0.345CS..Hα-helixtrans-71.2-39.2176.500000111.3F365 Q366 P374 S375 F380 A381F365-A377 HydrophobicContact CB-CB 4.2Å; F365-A377 HydrophobicContact CD1-CB 3.68Å; F365-A377 HydrophobicContact CE1-CB 4.45Å; F365-A377 HydrophobicContact CG-CB 4.21Å; Q366-A377 HydrophobicContact CG-CB 3.97Å; P374-A377 WeakPolarHBondContact O-CB 3.33Å; P374-A377 PolarHBondContact O-N 3.43Å; S375-A377 VanDerWaalsContact C-N 3.29Å; S375-A377 PolarHBondContact O-N 3.45Å; A377-F380 PolarHBondContact O-N 3.48Å; A377-A381 WeakPolarHBondContact O-CB 3.01Å; A377-A381 PolarHBondContact O-N 3.36Å
378E95.4Very high94.1Very high83 Ų8358.7 Ų58.739%0.38833%0.333SS..Hα-helixtrans-64.2-48.2173.5-59.1-69.5129.600110.4H358 P374 S375 F380 A381 E382H358-E378 IonicContact CE1-OE1 2.79Å; H358-E378 IonicContact CE1-OE2 3.4Å; H358-E378 PolarHBondContact CE1-OE2 3.48Å; H358-E378 IonicContact NE2-OE2 3.32Å; P374-E378 PolarHBondContact O-N 2.77Å; S375-E378 PolarHBondContact O-N 3.16Å; E378-F380 VanDerWaalsContact C-N 3.28Å; E378-F380 PolarHBondContact O-N 3.22Å; E378-A381 PolarHBondContact O-N 2.78Å; E378-E382 PolarHBondContact O-N 3.07Å
379D95.3Very high93.8Very high70 Ų7061.9 Ų61.937%0.37436%0.36SS..Hα-helixtrans-56.4-42.3176.6-71-17.5000111.9S375 R383S375-D379 PolarHBondContact O-N 2.88Å; D379-R383 WeakPolarHBondContact O-CB 3.45Å; D379-R383 VanDerWaalsContact O-CG 3.27Å; D379-R383 WeakPolarHBondContact O-CG 3.38Å; D379-R383 PolarHBondContact O-N 3.32Å; D379-R383 VanDerWaalsContact O-N 3.17Å
380F95.6Very high93.6Very high0 Ų067 Ų670%038%0.384CS..Hα-helixtrans-62.4-49.4174.6177.1-104.5000111.5L361 F365 L376 A377 E378 E382 R383 V384 Y399 F400 I411L361-F380 HydrophobicContact CB-CE1 4.49Å; L361-F380 HydrophobicContact CD2-CE1 4.28Å; F365-F380 HydrophobicContact CB-CD1 4.13Å; F365-F380 HydrophobicContact CD2-CB 3.76Å; F365-F380 AromaticContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD2 4.14Å; F365-F380 AromaticContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CE2-CB 4.04Å; F365-F380 HydrophobicContact CE2-CD2 4.38Å; F365-F380 HydrophobicContact CE2-CG 4.15Å; F365-F380 HydrophobicContact CG-CB 4.36Å; F365-F380 HydrophobicContact CG-CD1 4.37Å; F365-F380 HydrophobicContact CG-CG 4.43Å; L376-F380 WeakPolarHBondContact O-CB 3.2Å; L376-F380 PolarHBondContact O-N 2.8Å; A377-F380 PolarHBondContact O-N 3.48Å; E378-F380 VanDerWaalsContact C-N 3.28Å; E378-F380 PolarHBondContact O-N 3.22Å; F380-E382 PolarHBondContact O-N 3.49Å; F380-R383 PolarHBondContact O-N 3.47Å; F380-V384 HydrophobicContact CD1-CG2 4.35Å; F380-V384 HydrophobicContact CD2-CG2 4.09Å; F380-V384 HydrophobicContact CE1-CG2 3.93Å; F380-V384 HydrophobicContact CE2-CG2 3.63Å; F380-V384 HydrophobicContact CG-CG2 4.43Å; F380-V384 HydrophobicContact CZ-CG2 3.55Å; F380-V384 VanDerWaalsContact O-CG2 3.3Å; F380-V384 WeakPolarHBondContact O-CG2 3.31Å; F380-V384 PolarHBondContact O-N 3.36Å; F380-Y399 HydrophobicContact CE2-CD1 4.32Å; F380-Y399 AromaticContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CZ-CD1 4.41Å; F380-Y399 HydrophobicContact CZ-CE1 4.43Å; F380-F400 HydrophobicContact CD1-CZ 4.22Å; F380-F400 AromaticContact CE1-CE1 3.83Å; F380-F400 HydrophobicContact CE1-CE1 3.83Å; F380-F400 AromaticContact CE1-CZ 3.46Å; F380-F400 HydrophobicContact CE1-CZ 3.46Å; F380-F400 VanDerWaalsContact CE1-CZ 3.46Å; F380-F400 AromaticContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CZ 4.31Å; F380-F400 AromaticContact CZ-CE1 3.41Å; F380-F400 HydrophobicContact CZ-CE1 3.41Å; F380-F400 VanDerWaalsContact CZ-CE1 3.41Å; F380-F400 AromaticContact CZ-CZ 3.51Å; F380-F400 HydrophobicContact CZ-CZ 3.51Å; F380-I411 HydrophobicContact CB-CG1 3.96Å; F380-I411 HydrophobicContact CD2-CG1 4.31Å
381A95.4Very high93.7Very high0 Ų062.5 Ų62.50%035%0.354CS..Hα-helixtrans-62-44.4-17700000111.8H358 L361 A377 E378 V384 L385H358-A381 WeakPolarHBondContact NE2-CB 3.29Å; L361-A381 HydrophobicContact CB-CB 3.74Å; L361-A381 HydrophobicContact CD1-CB 4.29Å; A377-A381 WeakPolarHBondContact O-CB 3.01Å; A377-A381 PolarHBondContact O-N 3.36Å; E378-A381 PolarHBondContact O-N 2.78Å; A381-V384 PolarHBondContact O-N 3.45Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 VanDerWaalsContact O-CG 3.28Å; A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 3.47Å
382E94.6Very high93.8Very high104 Ų10458.8 Ų58.849%0.48631%0.314SS..Hα-helixtrans-60.8-49.1176.4-72.4-170172.600111.9E378 F380 V384 L385 Q386E378-E382 PolarHBondContact O-N 3.07Å; F380-E382 PolarHBondContact O-N 3.49Å; E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 2.79Å; E382-L385 PolarHBondContact O-N 2.93Å; E382-Q386 WeakPolarHBondContact O-CB 3.46Å; E382-Q386 VanDerWaalsContact O-CG 3.3Å; E382-Q386 WeakPolarHBondContact O-CG 3.22Å; E382-Q386 PolarHBondContact O-N 3.29Å
383R94.1Very high93.9Very high107 Ų10755.4 Ų55.440%0.40430%0.3SS..Hα-helixtrans-61.6-41.6-179.9-73179.4-171.5-147.4-0.5112.3D379 F380 Q386 A387 I411 A414D379-R383 WeakPolarHBondContact O-CB 3.45Å; D379-R383 VanDerWaalsContact O-CG 3.27Å; D379-R383 WeakPolarHBondContact O-CG 3.38Å; D379-R383 PolarHBondContact O-N 3.32Å; D379-R383 VanDerWaalsContact O-N 3.17Å; F380-R383 PolarHBondContact O-N 3.47Å; R383-Q386 PolarHBondContact O-N 3.43Å; R383-A387 WeakPolarHBondContact O-CB 3.46Å; R383-A387 PolarHBondContact O-N 3.19Å; R383-I411 WeakPolarHBondContact CD-O 3.31Å; R383-I411 PolarHBondContact NH1-O 3.04Å; R383-A414 HydrophobicContact CB-CB 3.96Å
384V94.4Very high93.9Very high0 Ų055.6 Ų55.60%030%0.301CS..Hα-helixtrans-65.6-42.2178.6170.50000111.5L361 F380 A381 E382 A387 T388 I391 A414 L417L361-V384 HydrophobicContact CD1-CB 4.06Å; L361-V384 HydrophobicContact CD1-CG1 3.84Å; L361-V384 HydrophobicContact CD2-CG1 4.08Å; F380-V384 HydrophobicContact CD1-CG2 4.35Å; F380-V384 HydrophobicContact CD2-CG2 4.09Å; F380-V384 HydrophobicContact CE1-CG2 3.93Å; F380-V384 HydrophobicContact CE2-CG2 3.63Å; F380-V384 HydrophobicContact CG-CG2 4.43Å; F380-V384 HydrophobicContact CZ-CG2 3.55Å; F380-V384 VanDerWaalsContact O-CG2 3.3Å; F380-V384 WeakPolarHBondContact O-CG2 3.31Å; F380-V384 PolarHBondContact O-N 3.36Å; A381-V384 PolarHBondContact O-N 3.45Å; E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 2.79Å; V384-A387 PolarHBondContact O-N 3.06Å; V384-T388 PolarHBondContact O-N 3.49Å; V384-T388 PolarHBondContact O-OG1 2.77Å; V384-I391 HydrophobicContact CG1-CD1 3.81Å; V384-I391 HydrophobicContact CG1-CG2 3.99Å; V384-A414 HydrophobicContact CG2-CB 4.13Å; V384-L417 HydrophobicContact CG1-CD1 4.45Å; V384-L417 HydrophobicContact CG2-CD1 3.89Å
385L92.8Very high94Very high77 Ų7755.4 Ų55.440%0.40329%0.293SS..Hα-helixtrans-70.7-29.8178.7-68.7174000112.9H358 L361 A381 E382H358-L385 HydrophobicContact CB-CD1 3.82Å; L361-L385 HydrophobicContact CD1-CD1 4.38Å; L361-L385 HydrophobicContact CD1-CD2 3.96Å; L361-L385 HydrophobicContact CD1-CG 3.81Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 VanDerWaalsContact O-CG 3.28Å; A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 3.47Å; E382-L385 PolarHBondContact O-N 2.93Å
386Q92.4Very high94Very high144 Ų14452 Ų5267%0.67327%0.269SS*.Hα-helixtrans-74.5-30.8170.7-70175.113.300112.3E382 R383 R418E382-Q386 WeakPolarHBondContact O-CB 3.46Å; E382-Q386 VanDerWaalsContact O-CG 3.3Å; E382-Q386 WeakPolarHBondContact O-CG 3.22Å; E382-Q386 PolarHBondContact O-N 3.29Å; R383-Q386 PolarHBondContact O-N 3.43Å; Q386-R418 PolarHBondContact O-NH2 2.88Å
387A90.8Very high94.1Very high13 Ų1353.8 Ų53.811%0.10728%0.276CS..Hα-helixtrans-79.9-35.7-179.600000112.6R383 V384 R418R383-A387 WeakPolarHBondContact O-CB 3.46Å; R383-A387 PolarHBondContact O-N 3.19Å; V384-A387 PolarHBondContact O-N 3.06Å; A387-R418 HydrophobicContact CB-CG 4.17Å; A387-R418 WeakPolarHBondContact O-CG 3.39Å; A387-R418 PolarHBondContact O-NE 3.12Å; A387-R418 VanDerWaalsContact O-NE 3.11Å
388T91.2Very high94.1Very high20 Ų2055.5 Ų55.512%0.12329%0.294CS..  trans-128.4140.8-168.462.80000112.7V384 L417V384-T388 PolarHBondContact O-N 3.49Å; V384-T388 PolarHBondContact O-OG1 2.77Å; T388-L417 HydrophobicContact CG2-CB 3.95Å; T388-L417 WeakPolarHBondContact CG2-O 3.46Å
389T88.4Confident94.1Very high149 Ų14951.9 Ų51.991%0.91428%0.276SS*.SBendtrans-78.7-40.3174.739.20000112.5
390Q92.5Very high94.1Very high119 Ų11948.6 Ų48.656%0.55626%0.259SS*.  trans-142.8128.3178.1-69.5179.9-12.700109.3Y355Y355-Q390 HydrophobicContact CD1-CB 4.06Å; Y355-Q390 HydrophobicContact CD2-CB 3.84Å; Y355-Q390 HydrophobicContact CD2-CG 3.75Å; Y355-Q390 HydrophobicContact CE1-CB 4.09Å; Y355-Q390 HydrophobicContact CE2-CB 3.89Å; Y355-Q390 HydrophobicContact CE2-CG 3.83Å; Y355-Q390 HydrophobicContact CG-CB 3.93Å; Y355-Q390 HydrophobicContact CG-CG 4.28Å; Y355-Q390 PolarHBondContact OH-OE1 3.3Å
391I94.8Very high94.1Very high4 Ų453.3 Ų53.32%0.02128%0.282CS..  trans-136.2129.1178.1-166.7172.2000110.4Y355 C356 L361 V384 Q395 V396 L417Y355-I391 WeakPolarHBondContact CB-O 3.44Å; C356-I391 HydrophobicContact CB-CG2 3.95Å; C356-I391 PolarHBondContact N-O 2.75Å; L361-I391 HydrophobicContact CD2-CG2 4.38Å; V384-I391 HydrophobicContact CG1-CD1 3.81Å; V384-I391 HydrophobicContact CG1-CG2 3.99Å; I391-Q395 HydrophobicContact CG1-CB 4.09Å; I391-V396 HydrophobicContact CD1-CG2 3.63Å; I391-V396 HydrophobicContact CG1-CG2 3.86Å; I391-V396 HydrophobicContact CG2-CG2 4.49Å; I391-L417 HydrophobicContact CD1-CB 4.31Å; I391-L417 HydrophobicContact CD1-CD1 3.84Å; I391-L417 HydrophobicContact CD1-CD2 4.01Å; I391-L417 HydrophobicContact CD1-CG 4.28Å
392S95.8Very high94.1Very high10 Ų1059.7 Ų59.77%0.0732%0.315CS..  trans-86.2149.3178.564.80000111.3A394 Q395 V396S392-A394 PolarHBondContact O-N 3.42Å; S392-A394 VanDerWaalsContact O-N 3.17Å; S392-Q395 WeakPolarHBondContact O-CB 3.39Å; S392-Q395 PolarHBondContact O-N 2.83Å; S392-Q395 WeakPolarHBondContact OG-CG 3.45Å; S392-Q395 PolarHBondContact OG-N 3.42Å; S392-Q395 PolarHBondContact OG-OE1 2.91Å; S392-V396 PolarHBondContact O-N 3.36Å; S392-V396 VanDerWaalsContact O-N 3.13Å
393P96.1Very high94.1Very high15 Ų1557.1 Ų57.110%0.09730%0.302CS..Hα-helixtrans-52.3-34.7170.5-26.831.8000113.3C356 M364 V396 Q397C356-P393 WeakPolarHBondContact SG-CD 3.44Å; C356-P393 VanDerWaalsContact SG-N 3.4Å; M364-P393 HydrophobicContact CE-CB 4.21Å; M364-P393 HydrophobicContact SD-CB 4.1Å; P393-V396 PolarHBondContact O-N 2.9Å; P393-Q397 WeakPolarHBondContact O-CB 3.32Å; P393-Q397 PolarHBondContact O-N 2.97Å
394A95.4Very high94.2Very high51 Ų5159.4 Ų59.442%0.42131%0.314SS..Hα-helixtrans-62.8-40.817600000112.8G233 S392 G398G233-A394 WeakPolarHBondContact O-CB 3.34Å; G233-A394 PolarHBondContact O-N 3.08Å; S392-A394 PolarHBondContact O-N 3.42Å; S392-A394 VanDerWaalsContact O-N 3.17Å; A394-G398 PolarHBondContact O-N 2.93Å
395Q94.8Very high94.1Very high84 Ų8466.8 Ų66.839%0.39335%0.354SS..Hα-helixtrans-65.9-44.2174.9-72.5163.9-68.900111.4I391 S392 Q397 G398 Y399I391-Q395 HydrophobicContact CG1-CB 4.09Å; S392-Q395 WeakPolarHBondContact O-CB 3.39Å; S392-Q395 PolarHBondContact O-N 2.83Å; S392-Q395 WeakPolarHBondContact OG-CG 3.45Å; S392-Q395 PolarHBondContact OG-N 3.42Å; S392-Q395 PolarHBondContact OG-OE1 2.91Å; Q395-Q397 PolarHBondContact O-N 3.46Å; Q395-G398 PolarHBondContact O-N 2.95Å; Q395-Y399 WeakPolarHBondContact O-CB 3.34Å; Q395-Y399 PolarHBondContact O-N 3.12Å
396V95.4Very high94.3Very high0 Ų066.5 Ų66.50%035%0.353CS..Hα-helixtrans-61.1-44.4177178.40000111L361 M364 I391 S392 P393 G398 Y399 F400L361-V396 HydrophobicContact CD2-CG1 4.49Å; L361-V396 HydrophobicContact CD2-CG2 3.79Å; M364-V396 HydrophobicContact CE-CB 3.88Å; M364-V396 HydrophobicContact CE-CG1 3.75Å; M364-V396 HydrophobicContact SD-CB 4.37Å; M364-V396 HydrophobicContact SD-CG1 4.15Å; I391-V396 HydrophobicContact CD1-CG2 3.63Å; I391-V396 HydrophobicContact CG1-CG2 3.86Å; I391-V396 HydrophobicContact CG2-CG2 4.49Å; S392-V396 PolarHBondContact O-N 3.36Å; S392-V396 VanDerWaalsContact O-N 3.13Å; P393-V396 PolarHBondContact O-N 2.9Å; V396-G398 PolarHBondContact O-N 3.5Å; V396-Y399 WeakPolarHBondContact O-CB 3.47Å; V396-Y399 PolarHBondContact O-N 2.85Å; V396-F400 HydrophobicContact CG1-CD2 3.86Å; V396-F400 HydrophobicContact CG1-CE2 3.32Å; V396-F400 HydrophobicContact CG1-CZ 3.7Å; V396-F400 WeakPolarHBondContact O-CD2 3.42Å; V396-F400 PolarHBondContact O-N 3.3Å
397Q95.3Very high94.4Very high80 Ų8060.3 Ų60.337%0.37433%0.325SS..Hα-helixtrans-59.6-45.3175170.8173.6-30.300111.5F368 P393 Q395 Y399 F400 M401F368-Q397 HydrophobicContact CZ-CB 4.27Å; F368-Q397 HydrophobicContact CZ-CG 3.99Å; P393-Q397 WeakPolarHBondContact O-CB 3.32Å; P393-Q397 PolarHBondContact O-N 2.97Å; Q395-Q397 PolarHBondContact O-N 3.46Å; Q397-Y399 VanDerWaalsContact C-N 3.3Å; Q397-Y399 PolarHBondContact O-N 2.91Å; Q397-F400 PolarHBondContact O-N 3.47Å; Q397-M401 HydrophobicContact CG-CE 3.91Å; Q397-M401 WeakPolarHBondContact O-CG 3.33Å; Q397-M401 PolarHBondContact O-N 2.88Å
398G94.8Very high94.5Very high35 Ų3563.1 Ų63.136%0.36134%0.341SS..Hα-helixtrans-62.7-36.6176.100000112.9A394 Q395 V396 M401A394-G398 PolarHBondContact O-N 2.93Å; Q395-G398 PolarHBondContact O-N 2.95Å; V396-G398 PolarHBondContact O-N 3.5Å; G398-M401 WeakPolarHBondContact O-CB 3.35Å; G398-M401 PolarHBondContact O-N 3.33Å
399Y95.5Very high94.7Very high7 Ų762.5 Ų62.53%0.02734%0.339CS..Hα-helixtrans-65.1-47.9176.5178.1-99000112.7F380 Q395 V396 Q397 M401 L402 Y403 A410 N413 A414 S416 L417F380-Y399 HydrophobicContact CE2-CD1 4.32Å; F380-Y399 AromaticContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CZ-CD1 4.41Å; F380-Y399 HydrophobicContact CZ-CE1 4.43Å; Q395-Y399 WeakPolarHBondContact O-CB 3.34Å; Q395-Y399 PolarHBondContact O-N 3.12Å; V396-Y399 WeakPolarHBondContact O-CB 3.47Å; V396-Y399 PolarHBondContact O-N 2.85Å; Q397-Y399 VanDerWaalsContact C-N 3.3Å; Q397-Y399 PolarHBondContact O-N 2.91Å; Y399-M401 PolarHBondContact O-N 3.46Å; Y399-L402 WeakPolarHBondContact O-CB 3.33Å; Y399-L402 PolarHBondContact O-N 2.9Å; Y399-Y403 HydrophobicContact CD2-CE2 4.26Å; Y399-Y403 HydrophobicContact CE1-CD2 4.1Å; Y399-Y403 HydrophobicContact CE1-CE2 4.33Å; Y399-Y403 HydrophobicContact CE2-CD2 4.08Å; Y399-Y403 AromaticContact CE2-CE2 3.56Å; Y399-Y403 HydrophobicContact CE2-CE2 3.56Å; Y399-Y403 AromaticContact CZ-CD2 3.81Å; Y399-Y403 AromaticContact CZ-CE2 3.58Å; Y399-A410 HydrophobicContact CE1-CB 3.92Å; Y399-A410 WeakPolarHBondContact CE1-O 3.49Å; Y399-A410 WeakPolarHBondContact OH-CA 3.49Å; Y399-A410 PolarHBondContact OH-O 3.37Å; Y399-N413 WeakPolarHBondContact OH-CB 3.22Å; Y399-N413 PolarHBondContact OH-O 3.31Å; Y399-A414 PolarHBondContact OH-N 3.03Å; Y399-S416 WeakPolarHBondContact CE2-OG 3.33Å; Y399-L417 HydrophobicContact CD1-CD1 4.15Å; Y399-L417 HydrophobicContact CD2-CD1 4.09Å; Y399-L417 HydrophobicContact CD2-CD2 3.66Å; Y399-L417 HydrophobicContact CD2-CG 3.73Å; Y399-L417 HydrophobicContact CE1-CD1 4.38Å; Y399-L417 HydrophobicContact CE2-CD1 4.31Å; Y399-L417 HydrophobicContact CE2-CD2 4.46Å; Y399-L417 HydrophobicContact CE2-CG 4.04Å; Y399-L417 HydrophobicContact CG-CD1 4.01Å; Y399-L417 HydrophobicContact CG-CD2 3.83Å; Y399-L417 HydrophobicContact CG-CG 4.07Å
400F96.3Very high95Very high2 Ų255.4 Ų55.41%0.00930%0.295CS..Hα-helixtrans-62.7-24.1176.3-65.2-36.7000113.2M364 F365 F368 Y369 F380 V396 Q397 L402 Y403 A410M364-F400 HydrophobicContact CB-CE2 4.09Å; F365-F400 HydrophobicContact CB-CZ 4.24Å; F365-F400 HydrophobicContact CD2-CE1 4.09Å; F365-F400 HydrophobicContact CD2-CZ 4.15Å; F368-F400 HydrophobicContact CB-CB 4.34Å; F368-F400 HydrophobicContact CB-CD2 3.92Å; F368-F400 HydrophobicContact CB-CE2 4.38Å; F368-F400 HydrophobicContact CB-CG 4.18Å; F368-F400 HydrophobicContact CD1-CB 3.45Å; F368-F400 VanDerWaalsContact CD1-CB 3.45Å; F368-F400 AromaticContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CG 4.03Å; F368-F400 AromaticContact CD2-CD2 3.5Å; F368-F400 HydrophobicContact CD2-CD2 3.5Å; F368-F400 AromaticContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CG 4.43Å; F368-F400 HydrophobicContact CE1-CB 3.84Å; F368-F400 HydrophobicContact CE1-CD2 4.22Å; F368-F400 AromaticContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CG-CB 3.92Å; F368-F400 AromaticContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CD2 3.47Å; F368-F400 VanDerWaalsContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CE2 4.2Å; F368-F400 AromaticContact CG-CG 3.96Å; F368-F400 HydrophobicContact CG-CG 3.96Å; F368-F400 HydrophobicContact CZ-CD2 4.25Å; Y369-F400 AromaticContact CE2-CD1 3.66Å; Y369-F400 HydrophobicContact CE2-CD1 3.66Å; Y369-F400 AromaticContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CG 4.29Å; F380-F400 HydrophobicContact CD1-CZ 4.22Å; F380-F400 AromaticContact CE1-CE1 3.83Å; F380-F400 HydrophobicContact CE1-CE1 3.83Å; F380-F400 AromaticContact CE1-CZ 3.46Å; F380-F400 HydrophobicContact CE1-CZ 3.46Å; F380-F400 VanDerWaalsContact CE1-CZ 3.46Å; F380-F400 AromaticContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CZ 4.31Å; F380-F400 AromaticContact CZ-CE1 3.41Å; F380-F400 HydrophobicContact CZ-CE1 3.41Å; F380-F400 VanDerWaalsContact CZ-CE1 3.41Å; F380-F400 AromaticContact CZ-CZ 3.51Å; F380-F400 HydrophobicContact CZ-CZ 3.51Å; V396-F400 HydrophobicContact CG1-CD2 3.86Å; V396-F400 HydrophobicContact CG1-CE2 3.32Å; V396-F400 HydrophobicContact CG1-CZ 3.7Å; V396-F400 WeakPolarHBondContact O-CD2 3.42Å; V396-F400 PolarHBondContact O-N 3.3Å; Q397-F400 PolarHBondContact O-N 3.47Å; F400-L402 PolarHBondContact O-N 2.9Å; F400-Y403 CarbonylContact O-C 3.58Å; F400-Y403 PolarHBondContact O-N 3.34Å; F400-A410 HydrophobicContact CD1-CB 4.45Å
401M94.9Very high95Very high99 Ų9950.1 Ų50.149%0.48827%0.271SS..THydrogen-bonded Turntrans-67.7-21.1172.7-69.2-179.7-179.200113.7Q397 G398 Y399 K404Q397-M401 HydrophobicContact CG-CE 3.91Å; Q397-M401 WeakPolarHBondContact O-CG 3.33Å; Q397-M401 PolarHBondContact O-N 2.88Å; G398-M401 WeakPolarHBondContact O-CB 3.35Å; G398-M401 PolarHBondContact O-N 3.33Å; Y399-M401 PolarHBondContact O-N 3.46Å; M401-K404 VanDerWaalsContact O-CE 3.24Å; M401-K404 WeakPolarHBondContact O-CE 3.39Å; M401-K404 WeakPolarHBondContact O-CG 3.48Å
402L95.4Very high95Very high133 Ų13355.8 Ų55.870%0.69630%0.297SS*.THydrogen-bonded Turntrans-77.9-30.7174.7-58.4175.8000111.7Y399 F400Y399-L402 WeakPolarHBondContact O-CB 3.33Å; Y399-L402 PolarHBondContact O-N 2.9Å; F400-L402 PolarHBondContact O-N 2.9Å
403Y95.9Very high94.9Very high50 Ų5058.7 Ų58.720%0.19631%0.312CS..SBendtrans-114.853.6-175.8-60.2-80.4000111.6Y369 Y399 F400 N405 D406 A410 N413Y369-Y403 VanDerWaalsContact CE1-O 3.31Å; Y369-Y403 WeakPolarHBondContact CE1-O 3.5Å; Y369-Y403 PolarHBondContact OH-O 2.72Å; Y399-Y403 HydrophobicContact CD2-CE2 4.26Å; Y399-Y403 HydrophobicContact CE1-CD2 4.1Å; Y399-Y403 HydrophobicContact CE1-CE2 4.33Å; Y399-Y403 HydrophobicContact CE2-CD2 4.08Å; Y399-Y403 AromaticContact CE2-CE2 3.56Å; Y399-Y403 HydrophobicContact CE2-CE2 3.56Å; Y399-Y403 AromaticContact CZ-CD2 3.81Å; Y399-Y403 AromaticContact CZ-CE2 3.58Å; F400-Y403 CarbonylContact O-C 3.58Å; F400-Y403 PolarHBondContact O-N 3.34Å; Y403-N405 PolarHBondContact O-N 2.86Å; Y403-D406 PolarHBondContact O-N 3.42Å; Y403-A410 HydrophobicContact CD2-CB 4.45Å; Y403-A410 HydrophobicContact CG-CB 4.33Å; Y403-N413 HydrophobicContact CE1-CB 4.35Å; Y403-N413 HydrophobicContact CE2-CB 4.27Å; Y403-N413 WeakPolarHBondContact OH-CB 3.49Å; Y403-N413 VanDerWaalsContact OH-CG 3.27Å; Y403-N413 PolarHBondContact OH-ND2 3.41Å
404K94.8Very high94.5Very high155 Ų15558 Ų5867%0.67431%0.307SS*.THydrogen-bonded Turntrans-63.4124.8-179.8-62.3178.1-173.5173.30110.1M401 D406M401-K404 VanDerWaalsContact O-CE 3.24Å; M401-K404 WeakPolarHBondContact O-CE 3.39Å; M401-K404 WeakPolarHBondContact O-CG 3.48Å; K404-D406 PolarHBondContact O-N 3.49Å
405N93.6Very high94Very high155 Ų15561.9 Ų61.983%0.82932%0.317SS*.THydrogen-bonded Turntrans62.413.1-177.6-47.8-38.8000115.3Y403 P407Y403-N405 PolarHBondContact O-N 2.86Å; N405-P407 WeakPolarHBondContact O-CD 3.45Å
406D95.5Very high93.6Very high71 Ų7161.4 Ų61.438%0.3832%0.323SS..  trans-120.682.5178.1-178.113.1000111.2Y403 K404 V408 G409 A410Y403-D406 PolarHBondContact O-N 3.42Å; K404-D406 PolarHBondContact O-N 3.49Å; D406-V408 VanDerWaalsContact C-N 3.34Å; D406-V408 PolarHBondContact O-N 3.04Å; D406-V408 PolarHBondContact OD1-N 3.33Å; D406-G409 PolarHBondContact OD1-N 2.82Å; D406-G409 WeakPolarHBondContact OD2-CA 3.46Å; D406-A410 PolarHBondContact O-N 2.94Å
407P94.3Very high93.1Very high14 Ų1462.6 Ų62.69%0.09133%0.329CS..Hα-helixtrans-67.3-33.5-179.325-32.4000112.7F365 Y369 Q372 N405 A410 I411F365-P407 HydrophobicContact CE2-CB 4.43Å; F365-P407 HydrophobicContact CZ-CB 3.74Å; Y369-P407 HydrophobicContact CD1-CB 3.94Å; Y369-P407 HydrophobicContact CD1-CG 4.42Å; Y369-P407 HydrophobicContact CD2-CB 4.16Å; Y369-P407 HydrophobicContact CE1-CB 4.41Å; Y369-P407 HydrophobicContact CG-CB 3.79Å; Q372-P407 HydrophobicContact CG-CB 4.25Å; Q372-P407 HydrophobicContact CG-CG 4.18Å; N405-P407 WeakPolarHBondContact O-CD 3.45Å; P407-A410 PolarHBondContact O-N 3Å; P407-I411 WeakPolarHBondContact O-CG1 3.47Å; P407-I411 PolarHBondContact O-N 3.03Å
408V94.5Very high92.2Very high72 Ų7265.7 Ų65.744%0.43634%0.337SS..Hα-helixtrans-71.8-42.6-178.3-179.50000110.1D406 A410 I411 H412D406-V408 VanDerWaalsContact C-N 3.34Å; D406-V408 PolarHBondContact O-N 3.04Å; D406-V408 PolarHBondContact OD1-N 3.33Å; V408-A410 VanDerWaalsContact C-N 3.29Å; V408-A410 PolarHBondContact O-N 3.33Å; V408-I411 PolarHBondContact O-N 3.1Å; V408-I411 VanDerWaalsContact O-N 3.14Å; V408-H412 PolarHBondContact O-N 3.47Å
409G93.9Very high90.4Very high8 Ų878.4 Ų78.48%0.08237%0.374CS..Hα-helixtrans-58.6-39.517300000112.8D406 I411 H412 N413D406-G409 PolarHBondContact OD1-N 2.82Å; D406-G409 WeakPolarHBondContact OD2-CA 3.46Å; G409-I411 VanDerWaalsContact C-N 3.31Å; G409-I411 PolarHBondContact O-N 3.37Å; G409-H412 PolarHBondContact O-N 3.17Å; G409-N413 WeakPolarHBondContact O-CB 3.29Å; G409-N413 PolarHBondContact O-N 3.24Å; G409-N413 PolarHBondContact O-ND2 2.86Å
410A94.7Very high90.1Very high0 Ų082 Ų820%039%0.391CS..Hα-helixtrans-66-28.917600000113.7Y369 Y399 F400 Y403 D406 P407 V408Y369-A410 HydrophobicContact CE2-CB 4.14Å; Y399-A410 HydrophobicContact CE1-CB 3.92Å; Y399-A410 WeakPolarHBondContact CE1-O 3.49Å; Y399-A410 WeakPolarHBondContact OH-CA 3.49Å; Y399-A410 PolarHBondContact OH-O 3.37Å; F400-A410 HydrophobicContact CD1-CB 4.45Å; Y403-A410 HydrophobicContact CD2-CB 4.45Å; Y403-A410 HydrophobicContact CG-CB 4.33Å; D406-A410 PolarHBondContact O-N 2.94Å; P407-A410 PolarHBondContact O-N 3Å; V408-A410 VanDerWaalsContact C-N 3.29Å; V408-A410 PolarHBondContact O-N 3.33Å
411I93.8Very high89.8Confident8 Ų886.2 Ų86.24%0.04141%0.411CS..Hα-helixtrans-82.2-42.8177-67.1166.3000110.8F365 L376 F380 R383 P407 V408 G409 N413 A414F365-I411 HydrophobicContact CE2-CD1 4.09Å; F365-I411 HydrophobicContact CE2-CG1 3.96Å; F365-I411 HydrophobicContact CZ-CD1 3.84Å; F365-I411 HydrophobicContact CZ-CG1 4.24Å; L376-I411 HydrophobicContact CB-CD1 3.94Å; L376-I411 HydrophobicContact CD2-CD1 3.78Å; L376-I411 HydrophobicContact CG-CD1 4.43Å; L376-I411 WeakPolarHBondContact O-CD1 3.36Å; F380-I411 HydrophobicContact CB-CG1 3.96Å; F380-I411 HydrophobicContact CD2-CG1 4.31Å; R383-I411 WeakPolarHBondContact CD-O 3.31Å; R383-I411 PolarHBondContact NH1-O 3.04Å; P407-I411 WeakPolarHBondContact O-CG1 3.47Å; P407-I411 PolarHBondContact O-N 3.03Å; V408-I411 PolarHBondContact O-N 3.1Å; V408-I411 VanDerWaalsContact O-N 3.14Å; G409-I411 VanDerWaalsContact C-N 3.31Å; G409-I411 PolarHBondContact O-N 3.37Å; I411-N413 VanDerWaalsContact C-N 3.32Å; I411-N413 PolarHBondContact O-N 2.94Å; I411-A414 WeakPolarHBondContact O-CB 3.49Å; I411-A414 PolarHBondContact O-N 3.05Å
412H93.9Very high89.5Confident123 Ų12385.4 Ų85.457%0.56941%0.407SS*.Hα-helixtrans-66.2-36-179.2-72.8-179.4000112.4V408 G409V408-H412 PolarHBondContact O-N 3.47Å; G409-H412 PolarHBondContact O-N 3.17Å
413N93.3Very high89.2Confident71 Ų7182.6 Ų82.638%0.3839%0.39SS..THydrogen-bonded Turntrans-97.817.9-179.1-61.2-75.8000112.8Y399 Y403 G409 I411 E415 S416Y399-N413 WeakPolarHBondContact OH-CB 3.22Å; Y399-N413 PolarHBondContact OH-O 3.31Å; Y403-N413 HydrophobicContact CE1-CB 4.35Å; Y403-N413 HydrophobicContact CE2-CB 4.27Å; Y403-N413 WeakPolarHBondContact OH-CB 3.49Å; Y403-N413 VanDerWaalsContact OH-CG 3.27Å; Y403-N413 PolarHBondContact OH-ND2 3.41Å; G409-N413 WeakPolarHBondContact O-CB 3.29Å; G409-N413 PolarHBondContact O-N 3.24Å; G409-N413 PolarHBondContact O-ND2 2.86Å; I411-N413 VanDerWaalsContact C-N 3.32Å; I411-N413 PolarHBondContact O-N 2.94Å; N413-E415 PolarHBondContact O-N 3.25Å; N413-E415 VanDerWaalsContact O-N 3.16Å; N413-S416 WeakPolarHBondContact O-CB 3.28Å; N413-S416 PolarHBondContact O-N 3.08Å; N413-S416 PolarHBondContact O-OG 2.98Å
414A89.1Confident88.7Confident1 Ų184.7 Ų84.71%0.00840%0.402CS..G310 helixtrans-59.6-27.4-17900000112.1R383 V384 Y399 I411 S416 L417R383-A414 HydrophobicContact CB-CB 3.96Å; V384-A414 HydrophobicContact CG2-CB 4.13Å; Y399-A414 PolarHBondContact OH-N 3.03Å; I411-A414 WeakPolarHBondContact O-CB 3.49Å; I411-A414 PolarHBondContact O-N 3.05Å; A414-S416 PolarHBondContact O-N 3.1Å; A414-L417 WeakPolarHBondContact O-CB 3.2Å; A414-L417 PolarHBondContact O-N 3.44Å
415E84.2Confident88.3Confident132 Ų13280 Ų8062%0.61738%0.384SS*.G310 helixtrans-64.3-22.4176-62.9-165168.400113.7N413 L417 R418N413-E415 PolarHBondContact O-N 3.25Å; N413-E415 VanDerWaalsContact O-N 3.16Å; E415-L417 PolarHBondContact O-N 3.25Å; E415-L417 VanDerWaalsContact O-N 3.08Å; E415-R418 VanDerWaalsContact O-CB 3.3Å; E415-R418 WeakPolarHBondContact O-CB 3.44Å; E415-R418 PolarHBondContact O-N 3.14Å
416S87Confident87.9Confident74 Ų7474.6 Ų74.652%0.51735%0.352SS..G310 helixtrans-68-8.3177.282.70000113Y399 N413 A414 R418Y399-S416 WeakPolarHBondContact CE2-OG 3.33Å; N413-S416 WeakPolarHBondContact O-CB 3.28Å; N413-S416 PolarHBondContact O-N 3.08Å; N413-S416 PolarHBondContact O-OG 2.98Å; A414-S416 PolarHBondContact O-N 3.1Å; S416-R418 VanDerWaalsContact C-N 3.26Å
417L83.6Confident87.4Confident24 Ų2474.9 Ų74.913%0.12635%0.35CS..G310 helixtrans-78.3-9.3171.8-71.7166000112.9V384 T388 I391 Y399 A414 E415 R419V384-L417 HydrophobicContact CG1-CD1 4.45Å; V384-L417 HydrophobicContact CG2-CD1 3.89Å; T388-L417 HydrophobicContact CG2-CB 3.95Å; T388-L417 WeakPolarHBondContact CG2-O 3.46Å; I391-L417 HydrophobicContact CD1-CB 4.31Å; I391-L417 HydrophobicContact CD1-CD1 3.84Å; I391-L417 HydrophobicContact CD1-CD2 4.01Å; I391-L417 HydrophobicContact CD1-CG 4.28Å; Y399-L417 HydrophobicContact CD1-CD1 4.15Å; Y399-L417 HydrophobicContact CD2-CD1 4.09Å; Y399-L417 HydrophobicContact CD2-CD2 3.66Å; Y399-L417 HydrophobicContact CD2-CG 3.73Å; Y399-L417 HydrophobicContact CE1-CD1 4.38Å; Y399-L417 HydrophobicContact CE2-CD1 4.31Å; Y399-L417 HydrophobicContact CE2-CD2 4.46Å; Y399-L417 HydrophobicContact CE2-CG 4.04Å; Y399-L417 HydrophobicContact CG-CD1 4.01Å; Y399-L417 HydrophobicContact CG-CD2 3.83Å; Y399-L417 HydrophobicContact CG-CG 4.07Å; A414-L417 WeakPolarHBondContact O-CB 3.2Å; A414-L417 PolarHBondContact O-N 3.44Å; E415-L417 PolarHBondContact O-N 3.25Å; E415-L417 VanDerWaalsContact O-N 3.08Å; L417-R419 PolarHBondContact O-N 3.13Å; L417-R419 VanDerWaalsContact O-N 3.14Å
418R76.6Confident86.8Confident146 Ų14680 Ų8055%0.55137%0.372SS*.  trans-61.4112.9167.5-82.3175.8173170.44.7109.3Q386 A387 E415 S416Q386-R418 PolarHBondContact O-NH2 2.88Å; A387-R418 HydrophobicContact CB-CG 4.17Å; A387-R418 WeakPolarHBondContact O-CG 3.39Å; A387-R418 PolarHBondContact O-NE 3.12Å; A387-R418 VanDerWaalsContact O-NE 3.11Å; E415-R418 VanDerWaalsContact O-CB 3.3Å; E415-R418 WeakPolarHBondContact O-CB 3.44Å; E415-R418 PolarHBondContact O-N 3.14Å; S416-R418 VanDerWaalsContact C-N 3.26Å
419R56.9Low86.1Confident301 Ų30180.7 Ų80.7100%1.13637%0.366SS*.  trans-117.90163.1-84.2-168.2177.5-172.4-0.7109.5L417L417-R419 PolarHBondContact O-N 3.13Å; L417-R419 VanDerWaalsContact O-N 3.14Å

Retrieved 419 of 419 residues in 2212.9 ms (Link to these results)