A0A087Y373_POEFO Loading...

Acyl-coenzyme A oxidase

AlphaFold DB , UniProt , Accession A0A087Y373, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93Very high97.4Very high117 Ų11761.4 Ų61.458%0.57631%0.308SS*.  0136.40-168.3176.4-58.300106.8I5 T6 R9 Y624 D625M1-I5 HydrophobicContact CG-CG2 3.9Å; M1-T6 WeakPolarHBondContact CG-OG1 3.34Å; M1-T6 PolarHBondContact SD-OG1 2.69Å; M1-R9 PolarHBondContact SD-NH1 3.31Å; M1-Y624 HydrophobicContact CE-CD1 4.4Å; M1-Y624 HydrophobicContact CE-CE1 3.92Å; M1-D625 CarbonylContact C-O 3.58Å; M1-D625 VanDerWaalsContact CA-O 3.32Å; M1-D625 WeakPolarHBondContact CA-O 3.28Å; M1-D625 WeakPolarHBondContact CG-O 3.48Å
2N97.6Very high97.4Very high25 Ų2558.7 Ų58.713%0.13430%0.302CS..  trans-61.2132178.6179.5-48.3000110.1D4 I5 T6 D625 G626 N627N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 3.44Å; N2-D4 WeakPolarHBondContact OD1-CB 3.45Å; N2-D4 PolarHBondContact OD1-N 2.94Å; N2-D4 PolarHBondContact OD1-OD2 3.14Å; N2-I5 HydrophobicContact CB-CG2 4.14Å; N2-I5 WeakPolarHBondContact O-CG2 3.29Å; N2-I5 PolarHBondContact O-N 3.32Å; N2-T6 PolarHBondContact O-N 3.29Å; N2-T6 PolarHBondContact O-OG1 3.31Å; N2-T6 VanDerWaalsContact O-OG1 3.13Å; N2-D625 PolarHBondContact N-O 2.95Å; N2-G626 WeakPolarHBondContact CB-O 3.08Å; N2-G626 PolarHBondContact ND2-O 2.98Å; N2-N627 PolarHBondContact N-OD1 2.97Å
3P98.1Very high97.4Very high96 Ų9659.8 Ų59.862%0.62332%0.318SS*.Hα-helixtrans-57.2-34.4-179.2-26.135000114.6T6 R7P3-T6 PolarHBondContact O-N 3.26Å; P3-R7 WeakPolarHBondContact O-CB 3.32Å; P3-R7 PolarHBondContact O-N 3.24Å
4D97.9Very high97.5Very high30 Ų3056.6 Ų56.616%0.1630%0.3CS..Hα-helixtrans-66.9-49.3-178.2-65.4-48.6000111.5N2 T6 R7 E8 A305 H308N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 3.44Å; N2-D4 WeakPolarHBondContact OD1-CB 3.45Å; N2-D4 PolarHBondContact OD1-N 2.94Å; N2-D4 PolarHBondContact OD1-OD2 3.14Å; D4-T6 VanDerWaalsContact C-N 3.28Å; D4-T6 PolarHBondContact O-N 3.13Å; D4-R7 WeakPolarHBondContact O-CB 3.26Å; D4-R7 PolarHBondContact O-N 3.44Å; D4-R7 IonicContact OD1-CZ 3.42Å; D4-R7 VanDerWaalsContact OD1-CZ 3.27Å; D4-R7 IonicContact OD1-NH1 2.74Å; D4-R7 PolarHBondContact OD1-NH1 2.95Å; D4-R7 IonicContact OD1-NH2 4Å; D4-R7 PolarHBondContact OD1-NH2 2.61Å; D4-E8 WeakPolarHBondContact O-CG 3.45Å; D4-E8 PolarHBondContact O-N 3.02Å; D4-E8 VanDerWaalsContact O-N 3.08Å; D4-A305 WeakPolarHBondContact CB-O 3.45Å; D4-H308 IonicContact OD1-NE2 3.88Å; D4-H308 IonicContact OD2-NE2 3.89Å; D4-H308 PolarHBondContact OD2-NE2 3.26Å
5I97.4Very high97.6Very high0 Ų057.9 Ų57.90%031%0.307CS..Hα-helixtrans-67.3-31.7177.9-157.6169.6000111.8M1 N2 E8 R9 R302 V306 V604M1-I5 HydrophobicContact CG-CG2 3.9Å; N2-I5 HydrophobicContact CB-CG2 4.14Å; N2-I5 WeakPolarHBondContact O-CG2 3.29Å; N2-I5 PolarHBondContact O-N 3.32Å; I5-E8 PolarHBondContact O-N 2.64Å; I5-R9 WeakPolarHBondContact O-CG 3.34Å; I5-R9 PolarHBondContact O-N 2.91Å; I5-R9 VanDerWaalsContact O-N 3.16Å; I5-R302 HydrophobicContact CD1-CB 4.05Å; I5-R302 HydrophobicContact CD1-CG 3.95Å; I5-V306 HydrophobicContact CB-CG2 4.34Å; I5-V604 HydrophobicContact CD1-CG1 4.36Å; I5-V604 HydrophobicContact CG1-CG1 3.85Å
6T98.3Very high97.6Very high38 Ų3856.9 Ų56.923%0.23330%0.304CS..Hα-helixtrans-63.4-44.5172.8-61.40000111.3M1 N2 P3 D4 E8 R9 Q10M1-T6 WeakPolarHBondContact CG-OG1 3.34Å; M1-T6 PolarHBondContact SD-OG1 2.69Å; N2-T6 PolarHBondContact O-N 3.29Å; N2-T6 PolarHBondContact O-OG1 3.31Å; N2-T6 VanDerWaalsContact O-OG1 3.13Å; P3-T6 PolarHBondContact O-N 3.26Å; D4-T6 VanDerWaalsContact C-N 3.28Å; D4-T6 PolarHBondContact O-N 3.13Å; T6-E8 VanDerWaalsContact C-N 3.32Å; T6-E8 PolarHBondContact O-N 3.04Å; T6-R9 PolarHBondContact O-N 3.33Å; T6-Q10 WeakPolarHBondContact O-CG 3.44Å; T6-Q10 PolarHBondContact O-N 3.13Å; T6-Q10 VanDerWaalsContact O-N 3.08Å
7R98.3Very high97.7Very high95 Ų9557 Ų5736%0.35830%0.302SS..Hα-helixtrans-59.4-43.3176-177.4176.465.1-113.1-1.3111.4P3 D4 R9 Q10 N11 Q320P3-R7 WeakPolarHBondContact O-CB 3.32Å; P3-R7 PolarHBondContact O-N 3.24Å; D4-R7 WeakPolarHBondContact O-CB 3.26Å; D4-R7 PolarHBondContact O-N 3.44Å; D4-R7 IonicContact OD1-CZ 3.42Å; D4-R7 VanDerWaalsContact OD1-CZ 3.27Å; D4-R7 IonicContact OD1-NH1 2.74Å; D4-R7 PolarHBondContact OD1-NH1 2.95Å; D4-R7 IonicContact OD1-NH2 4Å; D4-R7 PolarHBondContact OD1-NH2 2.61Å; R7-R9 VanDerWaalsContact C-N 3.32Å; R7-R9 PolarHBondContact O-N 3.23Å; R7-Q10 PolarHBondContact O-N 3.41Å; R7-N11 VanDerWaalsContact O-CG 3.25Å; R7-N11 PolarHBondContact O-N 2.69Å; R7-N11 PolarHBondContact O-ND2 3.23Å; R7-Q320 VanDerWaalsContact NH2-OE1 3.08Å
8E98.5Very high97.7Very high4 Ų458.8 Ų58.82%0.01931%0.307CS..Hα-helixtrans-61.1-38.7177-63.2-57.1163.200113.2D4 I5 T6 N11 A305 Q320 R600 V604D4-E8 WeakPolarHBondContact O-CG 3.45Å; D4-E8 PolarHBondContact O-N 3.02Å; D4-E8 VanDerWaalsContact O-N 3.08Å; I5-E8 PolarHBondContact O-N 2.64Å; T6-E8 VanDerWaalsContact C-N 3.32Å; T6-E8 PolarHBondContact O-N 3.04Å; E8-N11 PolarHBondContact O-N 3.11Å; E8-A305 HydrophobicContact CG-CB 3.86Å; E8-Q320 PolarHBondContact OE1-NE2 3.31Å; E8-Q320 PolarHBondContact OE1-OE1 2.88Å; E8-R600 IonicContact OE1-CZ 2.76Å; E8-R600 IonicContact OE1-NH1 3.83Å; E8-R600 PolarHBondContact OE1-NH1 2.87Å; E8-R600 IonicContact OE1-NH2 2.84Å; E8-R600 PolarHBondContact OE1-NH2 2.93Å; E8-R600 IonicContact OE2-CZ 2.86Å; E8-R600 IonicContact OE2-NH1 2.66Å; E8-R600 PolarHBondContact OE2-NH1 3.32Å; E8-R600 IonicContact OE2-NH2 3.36Å; E8-V604 HydrophobicContact CB-CB 3.75Å; E8-V604 HydrophobicContact CB-CG1 4.31Å; E8-V604 HydrophobicContact CB-CG2 3.5Å; E8-V604 HydrophobicContact CG-CG2 3.82Å
9R98.3Very high97.7Very high40 Ų4055.7 Ų55.715%0.15129%0.291CS..Hα-helixtrans-68.8-37.8177.2-72.2169.4172.2142.29.2112.7M1 I5 T6 R7 N11 A12 V604 D608 Y624M1-R9 PolarHBondContact SD-NH1 3.31Å; I5-R9 WeakPolarHBondContact O-CG 3.34Å; I5-R9 PolarHBondContact O-N 2.91Å; I5-R9 VanDerWaalsContact O-N 3.16Å; T6-R9 PolarHBondContact O-N 3.33Å; R7-R9 VanDerWaalsContact C-N 3.32Å; R7-R9 PolarHBondContact O-N 3.23Å; R9-N11 PolarHBondContact O-N 3.32Å; R9-A12 VanDerWaalsContact O-CB 3.28Å; R9-A12 WeakPolarHBondContact O-CB 3.18Å; R9-A12 PolarHBondContact O-N 3.02Å; R9-V604 HydrophobicContact CG-CG1 3.94Å; R9-D608 IonicContact CZ-OD2 3.77Å; R9-D608 IonicContact NE-OD2 3.24Å; R9-D608 PolarHBondContact NE-OD2 2.7Å; R9-D608 IonicContact NH2-OD1 3.48Å; R9-D608 PolarHBondContact NH2-OD1 2.72Å; R9-D608 IonicContact NH2-OD2 2.74Å; R9-D608 PolarHBondContact NH2-OD2 3.21Å; R9-D608 VanDerWaalsContact NH2-OD2 3.13Å; R9-Y624 VanDerWaalsContact CZ-CZ 3.43Å; R9-Y624 VanDerWaalsContact CZ-O 3.23Å; R9-Y624 PolarHBondContact NH1-O 3.38Å; R9-Y624 PolarHBondContact NH2-O 3.43Å
10Q97.9Very high97.8Very high148 Ų14853.1 Ų53.169%0.69228%0.277SS*.Hα-helixtrans-67.8-24.9178.5-71.7172.3-11.100112.5T6 R7 A12T6-Q10 WeakPolarHBondContact O-CG 3.44Å; T6-Q10 PolarHBondContact O-N 3.13Å; T6-Q10 VanDerWaalsContact O-N 3.08Å; R7-Q10 PolarHBondContact O-N 3.41Å; Q10-A12 VanDerWaalsContact C-N 3.26Å; Q10-A12 PolarHBondContact O-N 2.99Å
11N96.1Very high97.8Very high82 Ų8254 Ų5444%0.43928%0.278SS..THydrogen-bonded Turntrans-79.2-4.4177.6-68-22.5000114R7 E8 R9 S13 P601R7-N11 VanDerWaalsContact O-CG 3.25Å; R7-N11 PolarHBondContact O-N 2.69Å; R7-N11 PolarHBondContact O-ND2 3.23Å; E8-N11 PolarHBondContact O-N 3.11Å; R9-N11 PolarHBondContact O-N 3.32Å; N11-S13 PolarHBondContact O-N 3.47Å; N11-P601 HydrophobicContact CB-CB 4.16Å
12A97.3Very high98Very high29 Ų2950.4 Ų50.424%0.2426%0.26CS..  trans-61.1132.1-177.600000111.7R9 Q10 N602 A605R9-A12 VanDerWaalsContact O-CB 3.28Å; R9-A12 WeakPolarHBondContact O-CB 3.18Å; R9-A12 PolarHBondContact O-N 3.02Å; Q10-A12 VanDerWaalsContact C-N 3.26Å; Q10-A12 PolarHBondContact O-N 2.99Å; A12-N602 WeakPolarHBondContact CA-OD1 3.42Å; A12-A605 HydrophobicContact CB-CB 3.52Å
13S98.1Very high98Very high73 Ų7350 Ų5051%0.5126%0.258SS..SBendtrans-93.37.8179.470.80000113.5N11 N602N11-S13 PolarHBondContact O-N 3.47Å; S13-N602 PolarHBondContact N-OD1 2.89Å; S13-N602 PolarHBondContact OG-ND2 3.28Å; S13-N602 PolarHBondContact OG-OD1 2.78Å
14F98.4Very high97.8Very high16 Ų1647.2 Ų47.27%0.0724%0.238CC..SBendtrans-146.7163.3-177.470.9-83.2000111V16 L19 A550 I551 V554 N602 A605 L606F14-V16 HydrophobicContact CE2-CG2 4.2Å; F14-V16 HydrophobicContact CZ-CG2 4.47Å; F14-V16 PolarHBondContact O-N 2.84Å; F14-L19 HydrophobicContact CD2-CB 4.27Å; F14-L19 HydrophobicContact CD2-CD2 4.2Å; F14-L19 HydrophobicContact CE2-CB 4.01Å; F14-L19 HydrophobicContact CE2-CD2 3.48Å; F14-L19 VanDerWaalsContact CE2-CD2 3.48Å; F14-L19 HydrophobicContact CE2-CG 4.4Å; F14-L19 HydrophobicContact CZ-CD2 4.03Å; F14-A550 HydrophobicContact CB-CB 4.03Å; F14-I551 HydrophobicContact CB-CG1 4.2Å; F14-I551 HydrophobicContact CD2-CG1 4.25Å; F14-V554 HydrophobicContact CD1-CB 4.27Å; F14-V554 HydrophobicContact CD1-CG1 3.88Å; F14-V554 HydrophobicContact CD1-CG2 4.29Å; F14-V554 HydrophobicContact CE1-CG1 4.22Å; F14-V554 HydrophobicContact CE1-CG2 4.26Å; F14-V554 HydrophobicContact CG-CG1 4.05Å; F14-N602 WeakPolarHBondContact CD1-OD1 3.45Å; F14-N602 HydrophobicContact CE1-CB 4.05Å; F14-A605 HydrophobicContact CE1-CB 3.89Å; F14-A605 HydrophobicContact CZ-CB 3.78Å; F14-L606 HydrophobicContact CE1-CD2 3.97Å; F14-L606 HydrophobicContact CE1-CG 3.96Å; F14-L606 HydrophobicContact CZ-CD2 3.69Å; F14-L606 HydrophobicContact CZ-CG 3.88Å
15D98.4Very high97.6Very high75 Ų7548.5 Ų48.540%0.40126%0.258SS..  trans-83.6112.2176.7-173.9-23.1000110.8E17 K18 L19D15-E17 VanDerWaalsContact C-N 3.28Å; D15-E17 PolarHBondContact O-N 2.74Å; D15-E17 WeakPolarHBondContact OD1-CB 3.39Å; D15-E17 PolarHBondContact OD1-N 2.87Å; D15-K18 HydrophobicContact CB-CB 4.16Å; D15-K18 HydrophobicContact CB-CD 4.11Å; D15-K18 HydrophobicContact CB-CG 4.09Å; D15-K18 PolarHBondContact O-N 2.85Å; D15-K18 PolarHBondContact OD1-N 3.4Å; D15-L19 PolarHBondContact O-N 2.83Å
16V98.4Very high97.6Very high43 Ų4349.3 Ų49.326%0.26127%0.267SS..Hα-helixtrans-59.5-37.9-179.7176.10000112F14 L19 T20 A605 D608 A609F14-V16 HydrophobicContact CE2-CG2 4.2Å; F14-V16 HydrophobicContact CZ-CG2 4.47Å; F14-V16 PolarHBondContact O-N 2.84Å; V16-L19 PolarHBondContact O-N 3.31Å; V16-T20 PolarHBondContact O-N 3.38Å; V16-T20 PolarHBondContact O-OG1 2.89Å; V16-A605 HydrophobicContact CG2-CB 3.75Å; V16-D608 HydrophobicContact CG1-CB 4.14Å; V16-A609 HydrophobicContact CG1-CB 3.98Å
17E98.3Very high97.5Very high58 Ų5850.8 Ų50.827%0.27128%0.277SS..Hα-helixtrans-69.5-43.3-176.3-175.366.4-173.900110.5D15 L19 T20 Y21 R34D15-E17 VanDerWaalsContact C-N 3.28Å; D15-E17 PolarHBondContact O-N 2.74Å; D15-E17 WeakPolarHBondContact OD1-CB 3.39Å; D15-E17 PolarHBondContact OD1-N 2.87Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 2.84Å; E17-T20 VanDerWaalsContact O-CB 3.27Å; E17-T20 WeakPolarHBondContact O-CB 3.33Å; E17-T20 PolarHBondContact O-N 3.09Å; E17-T20 VanDerWaalsContact O-N 3.15Å; E17-Y21 HydrophobicContact CG-CE1 3.81Å; E17-Y21 HydrophobicContact CG-CE2 4.15Å; E17-Y21 WeakPolarHBondContact CG-OH 3.39Å; E17-Y21 WeakPolarHBondContact O-CD1 3.43Å; E17-Y21 PolarHBondContact O-N 3.42Å; E17-Y21 WeakPolarHBondContact OE1-CE1 3.32Å; E17-Y21 PolarHBondContact OE1-OH 3.06Å; E17-R34 VanDerWaalsContact CD-NH1 3.32Å; E17-R34 IonicContact OE1-CZ 3.08Å; E17-R34 IonicContact OE1-NH1 2.78Å; E17-R34 PolarHBondContact OE1-NH1 2.95Å; E17-R34 IonicContact OE1-NH2 3.73Å; E17-R34 IonicContact OE2-CZ 3.5Å; E17-R34 IonicContact OE2-NH1 3.81Å; E17-R34 PolarHBondContact OE2-NH1 2.84Å; E17-R34 IonicContact OE2-NH2 3.74Å; E17-R34 PolarHBondContact OE2-NH2 3.02Å
18K98.3Very high97.5Very high90 Ų9052.6 Ų52.639%0.39129%0.289SS..Hα-helixtrans-63.2-35.6174.6-71.3-172.1-161.5-179.30112.8D15 Y21 I22 D548 I551D15-K18 HydrophobicContact CB-CB 4.16Å; D15-K18 HydrophobicContact CB-CD 4.11Å; D15-K18 HydrophobicContact CB-CG 4.09Å; D15-K18 PolarHBondContact O-N 2.85Å; D15-K18 PolarHBondContact OD1-N 3.4Å; K18-Y21 WeakPolarHBondContact O-CB 3.31Å; K18-Y21 PolarHBondContact O-N 3.25Å; K18-I22 PolarHBondContact O-N 3.44Å; K18-D548 WeakPolarHBondContact CD-OD2 3.48Å; K18-D548 IonicContact NZ-OD2 2.7Å; K18-D548 PolarHBondContact NZ-OD2 2.79Å; K18-I551 HydrophobicContact CB-CD1 3.46Å; K18-I551 VanDerWaalsContact CB-CD1 3.46Å
19L98.6Very high97.4Very high0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-67.7-39.6174.2-179.753.2000111F14 D15 V16 E17 Y21 I22 L23 Y339 I551 L555 L606 A609F14-L19 HydrophobicContact CD2-CB 4.27Å; F14-L19 HydrophobicContact CD2-CD2 4.2Å; F14-L19 HydrophobicContact CE2-CB 4.01Å; F14-L19 HydrophobicContact CE2-CD2 3.48Å; F14-L19 VanDerWaalsContact CE2-CD2 3.48Å; F14-L19 HydrophobicContact CE2-CG 4.4Å; F14-L19 HydrophobicContact CZ-CD2 4.03Å; D15-L19 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.31Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 2.84Å; L19-Y21 VanDerWaalsContact C-N 3.27Å; L19-Y21 PolarHBondContact O-N 3.34Å; L19-I22 WeakPolarHBondContact O-CB 3.35Å; L19-I22 PolarHBondContact O-N 2.94Å; L19-L23 HydrophobicContact CD1-CG 4.47Å; L19-L23 HydrophobicContact CG-CD1 4.5Å; L19-L23 WeakPolarHBondContact O-CG 3.33Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L23 VanDerWaalsContact O-N 3.09Å; L19-Y339 HydrophobicContact CD1-CE1 4.16Å; L19-Y339 HydrophobicContact CD2-CE1 3.99Å; L19-Y339 WeakPolarHBondContact CD2-OH 3.1Å; L19-Y339 HydrophobicContact CG-CE1 4.32Å; L19-I551 HydrophobicContact CB-CD1 4.16Å; L19-I551 HydrophobicContact CD1-CG2 3.8Å; L19-L555 HydrophobicContact CD1-CD1 4.05Å; L19-L555 HydrophobicContact CD1-CD2 4.13Å; L19-L555 HydrophobicContact CD1-CG 4.36Å; L19-L606 HydrophobicContact CD2-CD2 3.96Å; L19-A609 HydrophobicContact CB-CB 4Å; L19-A609 HydrophobicContact CD2-CB 3.68Å; L19-A609 HydrophobicContact CG-CB 3.76Å
20T98.6Very high97.3Very high2 Ų255 Ų551%0.01230%0.301CS..Hα-helixtrans-55.3-44.6172.6-520000110.8V16 E17 I22 L23 D24 T30 A609 D611V16-T20 PolarHBondContact O-N 3.38Å; V16-T20 PolarHBondContact O-OG1 2.89Å; E17-T20 VanDerWaalsContact O-CB 3.27Å; E17-T20 WeakPolarHBondContact O-CB 3.33Å; E17-T20 PolarHBondContact O-N 3.09Å; E17-T20 VanDerWaalsContact O-N 3.15Å; T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 2.82Å; T20-L23 PolarHBondContact O-N 2.91Å; T20-D24 PolarHBondContact O-N 3.25Å; T20-T30 HydrophobicContact CG2-CG2 3.77Å; T20-A609 PolarHBondContact OG1-O 3.5Å; T20-A609 VanDerWaalsContact OG1-O 3.11Å; T20-D611 HydrophobicContact CG2-CB 3.68Å
21Y98.2Very high97.3Very high74 Ų7453.6 Ų53.629%0.2929%0.292SS..Hα-helixtrans-58.1-39.8175.8-59-18.8000112.8E17 K18 L19 L23 G25 G26 P27 T30E17-Y21 HydrophobicContact CG-CE1 3.81Å; E17-Y21 HydrophobicContact CG-CE2 4.15Å; E17-Y21 WeakPolarHBondContact CG-OH 3.39Å; E17-Y21 WeakPolarHBondContact O-CD1 3.43Å; E17-Y21 PolarHBondContact O-N 3.42Å; E17-Y21 WeakPolarHBondContact OE1-CE1 3.32Å; E17-Y21 PolarHBondContact OE1-OH 3.06Å; K18-Y21 WeakPolarHBondContact O-CB 3.31Å; K18-Y21 PolarHBondContact O-N 3.25Å; L19-Y21 VanDerWaalsContact C-N 3.27Å; L19-Y21 PolarHBondContact O-N 3.34Å; Y21-L23 VanDerWaalsContact C-N 3.32Å; Y21-L23 PolarHBondContact O-N 3.18Å; Y21-G25 CarbonylContact O-C 3.58Å; Y21-G25 PolarHBondContact O-N 3Å; Y21-G26 WeakPolarHBondContact O-CA 3.48Å; Y21-G26 PolarHBondContact O-N 3.45Å; Y21-P27 HydrophobicContact CD1-CB 4.15Å; Y21-P27 HydrophobicContact CD2-CB 4.04Å; Y21-P27 HydrophobicContact CE1-CB 4.05Å; Y21-P27 HydrophobicContact CE2-CB 3.97Å; Y21-P27 HydrophobicContact CG-CB 4.13Å; Y21-T30 HydrophobicContact CD1-CG2 3.91Å; Y21-T30 WeakPolarHBondContact CD1-OG1 3.46Å; Y21-T30 HydrophobicContact CE1-CG2 3.97Å
22I97.2Very high97.4Very high40 Ų4053.4 Ų53.421%0.20529%0.286CS..Hα-helixtrans-66.7-37.2177.9-67.7163000111.1K18 L19 T20 V546 I551K18-I22 PolarHBondContact O-N 3.44Å; L19-I22 WeakPolarHBondContact O-CB 3.35Å; L19-I22 PolarHBondContact O-N 2.94Å; T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 2.82Å; I22-V546 HydrophobicContact CD1-CG1 4.1Å; I22-I551 HydrophobicContact CD1-CD1 4.08Å; I22-I551 HydrophobicContact CD1-CG2 3.79Å
23L96.8Very high97.3Very high18 Ų1852.9 Ų52.99%0.09428%0.277CS..Hα-helixtrans-71.2-38.5180-63.7176.5000112.3L19 T20 Y21 Y339 T342 F343 Q346 A609 F610L19-L23 HydrophobicContact CD1-CG 4.47Å; L19-L23 HydrophobicContact CG-CD1 4.5Å; L19-L23 WeakPolarHBondContact O-CG 3.33Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L23 VanDerWaalsContact O-N 3.09Å; T20-L23 PolarHBondContact O-N 2.91Å; Y21-L23 VanDerWaalsContact C-N 3.32Å; Y21-L23 PolarHBondContact O-N 3.18Å; L23-Y339 HydrophobicContact CD1-CE1 4.01Å; L23-Y339 HydrophobicContact CD2-CD1 3.99Å; L23-Y339 HydrophobicContact CD2-CE1 3.86Å; L23-Y339 HydrophobicContact CG-CE1 4.42Å; L23-T342 HydrophobicContact CD2-CG2 4.06Å; L23-F343 HydrophobicContact CD2-CE1 3.99Å; L23-F343 HydrophobicContact CD2-CZ 4.31Å; L23-Q346 PolarHBondContact O-NE2 3.14Å; L23-A609 WeakPolarHBondContact CD1-O 3.37Å; L23-F610 HydrophobicContact CD1-CD1 3.88Å; L23-F610 HydrophobicContact CD1-CE1 4.25Å
24D95.1Very high97.3Very high36 Ų3653 Ų5319%0.19327%0.266CS..Hα-helixtrans-83.4-11.3176.7-73.5-29.8000113.7T20 K29 T30 R33T20-D24 PolarHBondContact O-N 3.25Å; D24-K29 HydrophobicContact CB-CB 4.35Å; D24-K29 WeakPolarHBondContact O-CB 3.28Å; D24-K29 WeakPolarHBondContact O-CD 3.15Å; D24-T30 WeakPolarHBondContact CB-OG1 3.35Å; D24-T30 WeakPolarHBondContact OD2-CA 3.34Å; D24-T30 WeakPolarHBondContact OD2-CB 3.26Å; D24-T30 WeakPolarHBondContact OD2-CG2 3.48Å; D24-T30 PolarHBondContact OD2-OG1 3.37Å; D24-T30 VanDerWaalsContact OD2-OG1 3.13Å; D24-R33 VanDerWaalsContact CG-NE 3.3Å; D24-R33 IonicContact OD1-CZ 3.48Å; D24-R33 IonicContact OD1-NE 3.38Å; D24-R33 PolarHBondContact OD1-NE 2.6Å; D24-R33 IonicContact OD1-NH2 2.63Å; D24-R33 IonicContact OD2-CZ 2.88Å; D24-R33 IonicContact OD2-NE 3.85Å; D24-R33 PolarHBondContact OD2-NE 3.34Å; D24-R33 IonicContact OD2-NH2 3.98Å; D24-R33 PolarHBondContact OD2-NH2 3.39Å
25G94Very high97.2Very high58 Ų5856.3 Ų56.360%0.59828%0.282SS*.THydrogen-bonded Turntrans83.817.5-177.300000114.6Y21Y21-G25 CarbonylContact O-C 3.58Å; Y21-G25 PolarHBondContact O-N 3Å
26G96Very high97.1Very high17 Ų1752.8 Ų52.818%0.17526%0.263CS..SBendtrans148.1166.3167.500000114.1Y21 E28 K29 T30Y21-G26 WeakPolarHBondContact O-CA 3.48Å; Y21-G26 PolarHBondContact O-N 3.45Å; G26-E28 PolarHBondContact O-N 3.06Å; G26-K29 PolarHBondContact O-N 2.96Å; G26-T30 PolarHBondContact O-N 2.84Å; G26-T30 PolarHBondContact O-OG1 3.28Å
27P97.4Very high97Very high68 Ų6851.6 Ų51.644%0.44226%0.255SS..Hα-helixtrans-62.9-38.5178.924.3-33.5000112.9Y21 T30 K31Y21-P27 HydrophobicContact CD1-CB 4.15Å; Y21-P27 HydrophobicContact CD2-CB 4.04Å; Y21-P27 HydrophobicContact CE1-CB 4.05Å; Y21-P27 HydrophobicContact CE2-CB 3.97Å; Y21-P27 HydrophobicContact CG-CB 4.13Å; P27-T30 WeakPolarHBondContact O-CB 3.48Å; P27-T30 PolarHBondContact O-N 2.94Å; P27-K31 WeakPolarHBondContact O-CB 3.27Å; P27-K31 PolarHBondContact O-N 3.26Å
28E97.4Very high96.8Very high134 Ų13451.5 Ų51.563%0.62626%0.264SS*.Hα-helixtrans-67.3-41179.2-63.9-52.1132.900112.2G26 K31 R32G26-E28 PolarHBondContact O-N 3.06Å; E28-K31 PolarHBondContact O-N 3.33Å; E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 PolarHBondContact O-N 2.61Å
29K96Very high96.7Very high95 Ų9549.7 Ų49.741%0.41326%0.259SS..Hα-helixtrans-63.5-42.2174.6-74.1-166.2164.9-146.10111.7D24 G26 R32 R33 E83D24-K29 HydrophobicContact CB-CB 4.35Å; D24-K29 WeakPolarHBondContact O-CB 3.28Å; D24-K29 WeakPolarHBondContact O-CD 3.15Å; G26-K29 PolarHBondContact O-N 2.96Å; K29-R32 PolarHBondContact O-N 2.94Å; K29-R33 WeakPolarHBondContact O-CB 3.41Å; K29-R33 PolarHBondContact O-N 2.86Å; K29-E83 IonicContact NZ-OE1 3.37Å; K29-E83 PolarHBondContact NZ-OE1 3.07Å; K29-E83 IonicContact NZ-OE2 3.45Å; K29-E83 PolarHBondContact NZ-OE2 3.03Å
30T97.6Very high96.5Very high0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-60-49.8175.8-53.90000111.3T20 Y21 D24 G26 P27 R32 R33 R34T20-T30 HydrophobicContact CG2-CG2 3.77Å; Y21-T30 HydrophobicContact CD1-CG2 3.91Å; Y21-T30 WeakPolarHBondContact CD1-OG1 3.46Å; Y21-T30 HydrophobicContact CE1-CG2 3.97Å; D24-T30 WeakPolarHBondContact CB-OG1 3.35Å; D24-T30 WeakPolarHBondContact OD2-CA 3.34Å; D24-T30 WeakPolarHBondContact OD2-CB 3.26Å; D24-T30 WeakPolarHBondContact OD2-CG2 3.48Å; D24-T30 PolarHBondContact OD2-OG1 3.37Å; D24-T30 VanDerWaalsContact OD2-OG1 3.13Å; G26-T30 PolarHBondContact O-N 2.84Å; G26-T30 PolarHBondContact O-OG1 3.28Å; P27-T30 WeakPolarHBondContact O-CB 3.48Å; P27-T30 PolarHBondContact O-N 2.94Å; T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 PolarHBondContact O-N 2.77Å; T30-R33 PolarHBondContact O-N 2.9Å; T30-R34 WeakPolarHBondContact O-CG 3.48Å; T30-R34 PolarHBondContact O-N 3.07Å
31K97.9Very high96.3Very high117 Ų11751.5 Ų51.551%0.50927%0.267SS..Hα-helixtrans-58.9-45.4177.5-176.9-176.7177-175.60111.2P27 E28 R34 Q35P27-K31 WeakPolarHBondContact O-CB 3.27Å; P27-K31 PolarHBondContact O-N 3.26Å; E28-K31 PolarHBondContact O-N 3.33Å; K31-R34 PolarHBondContact O-N 3.23Å; K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 3.2Å; K31-Q35 PolarHBondContact O-N 2.82Å
32R96.4Very high96.1Very high79 Ų7952.4 Ų52.430%0.29828%0.284SS..Hα-helixtrans-65.6-43179.6-175.955.4176.2162.85112.2E28 K29 T30 R34 Q35 I36 E84E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 PolarHBondContact O-N 2.61Å; K29-R32 PolarHBondContact O-N 2.94Å; T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 PolarHBondContact O-N 2.77Å; R32-R34 PolarHBondContact O-N 3.42Å; R32-Q35 WeakPolarHBondContact O-CB 3.37Å; R32-Q35 PolarHBondContact O-N 2.92Å; R32-I36 HydrophobicContact CG-CD1 4.23Å; R32-I36 WeakPolarHBondContact O-CG1 3.26Å; R32-I36 PolarHBondContact O-N 3.32Å; R32-E84 WeakPolarHBondContact CG-OE1 3.36Å; R32-E84 IonicContact CZ-OE1 2.79Å; R32-E84 IonicContact CZ-OE2 3.85Å; R32-E84 VanDerWaalsContact NE-CD 3.27Å; R32-E84 IonicContact NE-OE1 3.41Å; R32-E84 PolarHBondContact NE-OE1 3.41Å; R32-E84 IonicContact NE-OE2 2.88Å; R32-E84 PolarHBondContact NE-OE2 2.88Å; R32-E84 IonicContact NH2-OE1 2.78Å; R32-E84 PolarHBondContact NH2-OE1 3.29Å; R32-E84 IonicContact NH2-OE2 2.63Å; R32-E84 PolarHBondContact NH2-OE2 2.81Å
33R96.9Very high96Very high17 Ų1751 Ų516%0.06428%0.277CS..Hα-helixtrans-56.4-51.1173.6178.9178.858.266.52.7110.9D24 K29 T30 Q35 I36 E37 D611D24-R33 VanDerWaalsContact CG-NE 3.3Å; D24-R33 IonicContact OD1-CZ 3.48Å; D24-R33 IonicContact OD1-NE 3.38Å; D24-R33 PolarHBondContact OD1-NE 2.6Å; D24-R33 IonicContact OD1-NH2 2.63Å; D24-R33 IonicContact OD2-CZ 2.88Å; D24-R33 IonicContact OD2-NE 3.85Å; D24-R33 PolarHBondContact OD2-NE 3.34Å; D24-R33 IonicContact OD2-NH2 3.98Å; D24-R33 PolarHBondContact OD2-NH2 3.39Å; K29-R33 WeakPolarHBondContact O-CB 3.41Å; K29-R33 PolarHBondContact O-N 2.86Å; T30-R33 PolarHBondContact O-N 2.9Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 3Å; R33-I36 WeakPolarHBondContact O-CB 3.33Å; R33-I36 PolarHBondContact O-N 3.42Å; R33-I36 VanDerWaalsContact O-N 3.12Å; R33-E37 WeakPolarHBondContact CG-OE1 3.43Å; R33-E37 IonicContact CZ-OE1 3.43Å; R33-E37 IonicContact NH1-OE1 3.55Å; R33-E37 PolarHBondContact NH1-OE1 2.81Å; R33-E37 IonicContact NH1-OE2 3.13Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.02Å; R33-D611 IonicContact CZ-OD2 3.21Å; R33-D611 VanDerWaalsContact CZ-OD2 3.26Å; R33-D611 IonicContact NH1-OD2 2.78Å; R33-D611 PolarHBondContact NH1-OD2 3.38Å; R33-D611 IonicContact NH2-OD2 2.62Å; R33-D611 PolarHBondContact NH2-OD2 3.37Å
34R97.4Very high95.9Very high75 Ų7554.4 Ų54.428%0.28330%0.3SS..Hα-helixtrans-62.1-35178.2-72.9176.4173.4163.8-1.9113.5E17 T30 K31 R32 E37 A38 D611E17-R34 VanDerWaalsContact CD-NH1 3.32Å; E17-R34 IonicContact OE1-CZ 3.08Å; E17-R34 IonicContact OE1-NH1 2.78Å; E17-R34 PolarHBondContact OE1-NH1 2.95Å; E17-R34 IonicContact OE1-NH2 3.73Å; E17-R34 IonicContact OE2-CZ 3.5Å; E17-R34 IonicContact OE2-NH1 3.81Å; E17-R34 PolarHBondContact OE2-NH1 2.84Å; E17-R34 IonicContact OE2-NH2 3.74Å; E17-R34 PolarHBondContact OE2-NH2 3.02Å; T30-R34 WeakPolarHBondContact O-CG 3.48Å; T30-R34 PolarHBondContact O-N 3.07Å; K31-R34 PolarHBondContact O-N 3.23Å; R32-R34 PolarHBondContact O-N 3.42Å; R34-E37 PolarHBondContact O-N 2.95Å; R34-A38 WeakPolarHBondContact O-CB 3.19Å; R34-A38 PolarHBondContact O-N 2.89Å; R34-D611 IonicContact CZ-OD1 3.19Å; R34-D611 IonicContact CZ-OD2 2.82Å; R34-D611 IonicContact NE-OD1 3.27Å; R34-D611 PolarHBondContact NE-OD1 3.32Å; R34-D611 IonicContact NE-OD2 2.7Å; R34-D611 PolarHBondContact NE-OD2 2.82Å; R34-D611 VanDerWaalsContact NH2-CG 3.28Å; R34-D611 IonicContact NH2-OD1 2.65Å; R34-D611 PolarHBondContact NH2-OD1 2.9Å; R34-D611 IonicContact NH2-OD2 2.82Å; R34-D611 PolarHBondContact NH2-OD2 3.48Å
35Q96.8Very high95.9Very high86 Ų8655.5 Ų55.540%0.40231%0.306SS..Hα-helixtrans-62.5-45.7172.4-74.2171.2-7.900111.5K31 R32 R33 E37 A38 L39K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 3.2Å; K31-Q35 PolarHBondContact O-N 2.82Å; R32-Q35 WeakPolarHBondContact O-CB 3.37Å; R32-Q35 PolarHBondContact O-N 2.92Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 3Å; Q35-E37 VanDerWaalsContact C-N 3.32Å; Q35-E37 PolarHBondContact O-N 3.3Å; Q35-A38 PolarHBondContact O-N 3.43Å; Q35-L39 WeakPolarHBondContact O-CG 3.46Å; Q35-L39 PolarHBondContact O-N 3.2Å
36I96Very high95.9Very high1 Ų153.6 Ų53.61%0.00528%0.281CS..Hα-helixtrans-61.9-41.9176.6-71.8166.4000111.1R32 R33 L39 V40 E84 H87 Y88R32-I36 HydrophobicContact CG-CD1 4.23Å; R32-I36 WeakPolarHBondContact O-CG1 3.26Å; R32-I36 PolarHBondContact O-N 3.32Å; R33-I36 WeakPolarHBondContact O-CB 3.33Å; R33-I36 PolarHBondContact O-N 3.42Å; R33-I36 VanDerWaalsContact O-N 3.12Å; I36-L39 WeakPolarHBondContact O-CB 3.41Å; I36-L39 PolarHBondContact O-N 3.22Å; I36-V40 PolarHBondContact O-N 2.94Å; I36-E84 HydrophobicContact CD1-CB 3.66Å; I36-E84 HydrophobicContact CD1-CG 3.75Å; I36-H87 HydrophobicContact CD1-CB 4.45Å; I36-H87 HydrophobicContact CG2-CB 4.15Å; I36-Y88 VanDerWaalsContact CG2-CA 3.5Å; I36-Y88 HydrophobicContact CG2-CD2 3.87Å; I36-Y88 HydrophobicContact CG2-CG 4.22Å
37E95.3Very high95.7Very high18 Ų1857.4 Ų57.48%0.08430%0.298CS..Hα-helixtrans-59.5-47174.7-69.2178-16800112R33 R34 Q35 L39 V40 F41 M91R33-E37 WeakPolarHBondContact CG-OE1 3.43Å; R33-E37 IonicContact CZ-OE1 3.43Å; R33-E37 IonicContact NH1-OE1 3.55Å; R33-E37 PolarHBondContact NH1-OE1 2.81Å; R33-E37 IonicContact NH1-OE2 3.13Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.02Å; R34-E37 PolarHBondContact O-N 2.95Å; Q35-E37 VanDerWaalsContact C-N 3.32Å; Q35-E37 PolarHBondContact O-N 3.3Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 3.39Å; E37-V40 PolarHBondContact O-N 3.38Å; E37-F41 HydrophobicContact CB-CD2 4.23Å; E37-F41 HydrophobicContact CB-CE2 3.78Å; E37-F41 HydrophobicContact CB-CZ 4.34Å; E37-F41 HydrophobicContact CG-CE2 4.47Å; E37-F41 WeakPolarHBondContact O-CB 3.48Å; E37-F41 VanDerWaalsContact O-CD2 3.25Å; E37-F41 WeakPolarHBondContact O-CD2 3.3Å; E37-F41 WeakPolarHBondContact O-CG 3.49Å; E37-F41 PolarHBondContact O-N 2.92Å; E37-M91 HydrophobicContact CB-CG 4.34Å; E37-M91 HydrophobicContact CG-CE 4.31Å; E37-M91 HydrophobicContact CG-CG 3.71Å; E37-M91 HydrophobicContact CG-SD 3.74Å
38A95.6Very high95.3Very high56 Ų5657.5 Ų57.546%0.46329%0.292SS..Hα-helixtrans-61.7-38.117800000112.5R34 Q35 F41 S42R34-A38 WeakPolarHBondContact O-CB 3.19Å; R34-A38 PolarHBondContact O-N 2.89Å; Q35-A38 PolarHBondContact O-N 3.43Å; A38-F41 PolarHBondContact O-N 2.73Å; A38-S42 WeakPolarHBondContact O-CB 3.48Å; A38-S42 PolarHBondContact O-N 3.12Å; A38-S42 VanDerWaalsContact O-N 3.07Å; A38-S42 PolarHBondContact O-OG 3.36Å
39L95.6Very high95.1Very high53 Ų5356.4 Ų56.428%0.27729%0.29SS..Hα-helixtrans-58-48.6174.7-71.1173.6000111.1Q35 I36 E37 S42 D43 Y77 I79 Y88Q35-L39 WeakPolarHBondContact O-CG 3.46Å; Q35-L39 PolarHBondContact O-N 3.2Å; I36-L39 WeakPolarHBondContact O-CB 3.41Å; I36-L39 PolarHBondContact O-N 3.22Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 3.39Å; L39-S42 PolarHBondContact O-OG 3.04Å; L39-D43 WeakPolarHBondContact O-CB 3.34Å; L39-D43 PolarHBondContact O-N 3.16Å; L39-Y77 HydrophobicContact CD1-CD2 4.4Å; L39-I79 HydrophobicContact CD1-CD1 4.45Å; L39-Y88 HydrophobicContact CB-CE2 4.36Å
40V95.3Very high95Very high6 Ų653.4 Ų53.44%0.03628%0.279CS..Hα-helixtrans-69.7-42.4-179.51780000111.6I36 E37 S42 D43 F46 Y88 M91 V92I36-V40 PolarHBondContact O-N 2.94Å; E37-V40 PolarHBondContact O-N 3.38Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.48Å; V40-D43 PolarHBondContact O-N 3.24Å; V40-F46 HydrophobicContact CB-CD2 4.44Å; V40-F46 HydrophobicContact CG1-CB 4.37Å; V40-F46 HydrophobicContact CG1-CD2 3.83Å; V40-F46 HydrophobicContact CG1-CE2 4.49Å; V40-F46 HydrophobicContact CG1-CG 4.21Å; V40-Y88 HydrophobicContact CG2-CD1 3.97Å; V40-Y88 HydrophobicContact CG2-CD2 3.83Å; V40-Y88 HydrophobicContact CG2-CE1 3.78Å; V40-Y88 HydrophobicContact CG2-CE2 3.62Å; V40-Y88 HydrophobicContact CG2-CG 3.98Å; V40-M91 HydrophobicContact CB-CB 3.88Å; V40-M91 HydrophobicContact CG1-CB 3.81Å; V40-M91 HydrophobicContact CG2-CB 3.98Å; V40-V92 HydrophobicContact CG1-CG2 3.79Å; V40-V92 HydrophobicContact CG2-CG2 4.04Å
41F93.6Very high94.8Very high34 Ų3453.6 Ų53.615%0.14928%0.28CS..Hα-helixtrans-72.2-22.6-175-64.8-25.7000114.6E37 A38 M91 H613 K615 K616E37-F41 HydrophobicContact CB-CD2 4.23Å; E37-F41 HydrophobicContact CB-CE2 3.78Å; E37-F41 HydrophobicContact CB-CZ 4.34Å; E37-F41 HydrophobicContact CG-CE2 4.47Å; E37-F41 WeakPolarHBondContact O-CB 3.48Å; E37-F41 VanDerWaalsContact O-CD2 3.25Å; E37-F41 WeakPolarHBondContact O-CD2 3.3Å; E37-F41 WeakPolarHBondContact O-CG 3.49Å; E37-F41 PolarHBondContact O-N 2.92Å; A38-F41 PolarHBondContact O-N 2.73Å; F41-M91 HydrophobicContact CE1-CB 4.36Å; F41-M91 HydrophobicContact CE1-SD 4.08Å; F41-M91 HydrophobicContact CZ-CG 4.43Å; F41-M91 HydrophobicContact CZ-SD 3.66Å; F41-H613 AromaticContact CD2-CE1 3.94Å; F41-H613 AromaticContact CD2-ND1 3.74Å; F41-H613 HydrophobicContact CE2-CB 3.57Å; F41-H613 AromaticContact CE2-CD2 4Å; F41-H613 AromaticContact CE2-CE1 3.98Å; F41-H613 AromaticContact CE2-CG 3.36Å; F41-H613 AromaticContact CE2-ND1 3.33Å; F41-H613 VanDerWaalsContact CE2-ND1 3.33Å; F41-H613 WeakPolarHBondContact CE2-ND1 3.28Å; F41-H613 HydrophobicContact CZ-CB 3.89Å; F41-H613 AromaticContact CZ-CG 3.98Å; F41-H613 AromaticContact CZ-ND1 3.76Å; F41-K615 HydrophobicContact CB-CD 3.93Å; F41-K615 HydrophobicContact CD1-CB 3.91Å; F41-K615 HydrophobicContact CD1-CD 3.66Å; F41-K615 HydrophobicContact CD1-CG 4.41Å; F41-K615 HydrophobicContact CE1-CB 3.69Å; F41-K615 HydrophobicContact CE1-CD 4.34Å; F41-K615 HydrophobicContact CG-CB 4.5Å; F41-K615 HydrophobicContact CG-CD 3.8Å; F41-K615 HydrophobicContact CZ-CB 4.1Å; F41-K615 PolarHBondContact O-NZ 2.88Å; F41-K616 HydrophobicContact CZ-CB 4.29Å
42S93.5Very high94.7Very high93 Ų9349.1 Ų49.165%0.6526%0.262SS*.Hα-helixtrans-92.9-12.8177.858.90000113.3A38 L39 V40 P44A38-S42 WeakPolarHBondContact O-CB 3.48Å; A38-S42 PolarHBondContact O-N 3.12Å; A38-S42 VanDerWaalsContact O-N 3.07Å; A38-S42 PolarHBondContact O-OG 3.36Å; L39-S42 PolarHBondContact O-OG 3.04Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.48Å; S42-P44 WeakPolarHBondContact O-CD 3.39Å
43D95.7Very high94.7Very high10 Ų1047.5 Ų47.55%0.05326%0.257CS..  trans-83.3117.3-177.4-169.7-22.1000111.3L39 V40 D45 F46 K73L39-D43 WeakPolarHBondContact O-CB 3.34Å; L39-D43 PolarHBondContact O-N 3.16Å; V40-D43 PolarHBondContact O-N 3.24Å; D43-D45 PolarHBondContact O-N 2.99Å; D43-D45 WeakPolarHBondContact OD1-CB 3.46Å; D43-D45 PolarHBondContact OD1-N 3.48Å; D43-F46 HydrophobicContact CB-CD2 3.79Å; D43-F46 HydrophobicContact CB-CE2 4.11Å; D43-F46 PolarHBondContact O-N 3.4Å; D43-F46 VanDerWaalsContact O-N 3.16Å; D43-K73 IonicContact OD1-NZ 3.03Å; D43-K73 PolarHBondContact OD1-NZ 2.7Å; D43-K73 WeakPolarHBondContact OD2-CD 3.25Å; D43-K73 VanDerWaalsContact OD2-CE 3.24Å; D43-K73 WeakPolarHBondContact OD2-CE 3.34Å; D43-K73 IonicContact OD2-NZ 3.2Å; D43-K73 PolarHBondContact OD2-NZ 2.72Å
44P94.6Very high94.7Very high89 Ų8948.1 Ų48.158%0.57826%0.261SS*.G310 helixtrans-64.8-20.1-179.628.3-35.9000113.4S42 F46 N47S42-P44 WeakPolarHBondContact O-CD 3.39Å; P44-F46 PolarHBondContact O-N 3Å; P44-N47 WeakPolarHBondContact O-CB 3.43Å; P44-N47 PolarHBondContact O-N 3.38Å
45D94.8Very high94.7Very high59 Ų5947.3 Ų47.332%0.31627%0.268SS..G310 helixtrans-64.7-22.2176.6-68.9-36.9000112D43 R65 Q69 K73D43-D45 PolarHBondContact O-N 2.99Å; D43-D45 WeakPolarHBondContact OD1-CB 3.46Å; D43-D45 PolarHBondContact OD1-N 3.48Å; D45-R65 PolarHBondContact O-NH1 3.17Å; D45-Q69 HydrophobicContact CB-CB 4.42Å; D45-Q69 HydrophobicContact CB-CG 4.29Å; D45-K73 WeakPolarHBondContact OD2-CE 3.44Å; D45-K73 IonicContact OD2-NZ 2.94Å; D45-K73 PolarHBondContact OD2-NZ 3.04Å
46F94.9Very high94.8Very high18 Ų1846.6 Ų46.68%0.07926%0.261CS..G310 helixtrans-99.27.5175.2-55.2-56.3000114.1V40 D43 P44 E48 K66 Q69 M70 K73 Y88 V92V40-F46 HydrophobicContact CB-CD2 4.44Å; V40-F46 HydrophobicContact CG1-CB 4.37Å; V40-F46 HydrophobicContact CG1-CD2 3.83Å; V40-F46 HydrophobicContact CG1-CE2 4.49Å; V40-F46 HydrophobicContact CG1-CG 4.21Å; D43-F46 HydrophobicContact CB-CD2 3.79Å; D43-F46 HydrophobicContact CB-CE2 4.11Å; D43-F46 PolarHBondContact O-N 3.4Å; D43-F46 VanDerWaalsContact O-N 3.16Å; P44-F46 PolarHBondContact O-N 3Å; F46-E48 PolarHBondContact O-N 2.8Å; F46-K66 HydrophobicContact CD1-CB 4.43Å; F46-K66 HydrophobicContact CD1-CG 4.41Å; F46-Q69 HydrophobicContact CE1-CB 3.92Å; F46-Q69 HydrophobicContact CZ-CB 4.4Å; F46-M70 HydrophobicContact CE1-CB 4.18Å; F46-M70 HydrophobicContact CZ-CB 4.38Å; F46-K73 HydrophobicContact CE2-CG 4.34Å; F46-K73 HydrophobicContact CZ-CB 4.44Å; F46-K73 HydrophobicContact CZ-CG 4.04Å; F46-Y88 HydrophobicContact CE2-CE1 4.23Å; F46-Y88 VanDerWaalsContact CE2-OH 3.25Å; F46-Y88 WeakPolarHBondContact CE2-OH 3.41Å; F46-Y88 HydrophobicContact CZ-CE1 4.1Å; F46-V92 HydrophobicContact CD1-CB 4.46Å; F46-V92 HydrophobicContact CD1-CG1 3.77Å; F46-V92 HydrophobicContact CD1-CG2 3.98Å; F46-V92 HydrophobicContact CD2-CG2 4.34Å; F46-V92 HydrophobicContact CE1-CG1 3.86Å; F46-V92 HydrophobicContact CE1-CG2 3.78Å; F46-V92 HydrophobicContact CE2-CG2 4.2Å; F46-V92 HydrophobicContact CG-CG2 4.27Å; F46-V92 HydrophobicContact CZ-CG2 3.91Å
47N90.8Very high94.9Very high98 Ų9850.8 Ų50.852%0.52429%0.291SS..  trans-61.1139.8166.6-72.9-22.3000109.6P44 R65P44-N47 WeakPolarHBondContact O-CB 3.43Å; P44-N47 PolarHBondContact O-N 3.38Å; N47-R65 PolarHBondContact O-NH2 3.04Å
48E89.9Confident95Very high70 Ų7054.8 Ų54.833%0.32731%0.309SS..  trans-142148.8-176.369.5174.2177.400111.5F46 Q62 K66F46-E48 PolarHBondContact O-N 2.8Å; E48-Q62 HydrophobicContact CB-CG 4.4Å; E48-Q62 PolarHBondContact OE2-NE2 2.97Å; E48-K66 IonicContact OE1-NZ 2.94Å; E48-K66 WeakPolarHBondContact OE2-CE 3.28Å; E48-K66 IonicContact OE2-NZ 2.69Å; E48-K66 PolarHBondContact OE2-NZ 3.11Å
49D92.3Very high95.1Very high110 Ų11052.9 Ų52.959%0.58829%0.29SS*.  trans-71.8148.3161.1-68.6-41.6000108.6P51 L54 Q62D49-P51 WeakPolarHBondContact O-CD 3.35Å; D49-L54 HydrophobicContact CB-CD1 4.23Å; D49-L54 HydrophobicContact CB-CD2 4.06Å; D49-L54 HydrophobicContact CB-CG 4.3Å; D49-Q62 PolarHBondContact O-NE2 2.98Å; D49-Q62 VanDerWaalsContact O-NE2 3.14Å
50D94Very high95.2Very high32 Ų3252.9 Ų52.917%0.17129%0.287CS..  trans-56.7116.6176.8-173-28.4000108.5N52 F53 W635D50-N52 PolarHBondContact O-N 3.3Å; D50-N52 WeakPolarHBondContact OD1-CB 3.42Å; D50-N52 PolarHBondContact OD1-N 2.9Å; D50-N52 PolarHBondContact OD1-ND2 3.45Å; D50-F53 HydrophobicContact CB-CD2 4.01Å; D50-F53 HydrophobicContact CB-CE2 4.36Å; D50-F53 HydrophobicContact CB-CG 4.49Å; D50-F53 PolarHBondContact O-N 2.95Å; D50-W635 PolarHBondContact OD2-NE1 3.12Å
51P93.6Very high95.3Very high4 Ų457.8 Ų57.83%0.02631%0.313CS..G310 helixtrans-53.9-28.4-177.9-3039.4000111.9D49 F53 L54 R59D49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-F53 PolarHBondContact O-N 2.96Å; P51-F53 VanDerWaalsContact O-N 3.14Å; P51-L54 PolarHBondContact O-N 3.28Å; P51-R59 HydrophobicContact CB-CG 4.36Å; P51-R59 PolarHBondContact O-NE 2.93Å; P51-R59 PolarHBondContact O-NH2 2.74Å
52N95.6Very high95.5Very high23 Ų2356.9 Ų56.912%0.12331%0.309CS..G310 helixtrans-62-19178.3-58.9-38.5000114.7D50 R403 D409 W635D50-N52 PolarHBondContact O-N 3.3Å; D50-N52 WeakPolarHBondContact OD1-CB 3.42Å; D50-N52 PolarHBondContact OD1-N 2.9Å; D50-N52 PolarHBondContact OD1-ND2 3.45Å; N52-R403 HydrophobicContact CB-CB 4.36Å; N52-R403 PolarHBondContact OD1-NE 2.94Å; N52-R403 PolarHBondContact OD1-NH2 3.49Å; N52-D409 PolarHBondContact ND2-OD2 3.17Å; N52-D409 PolarHBondContact OD1-OD2 2.83Å; N52-D409 VanDerWaalsContact OD1-OD2 3.07Å; N52-W635 HydrophobicContact CB-CZ2 4.18Å
53F97Very high95.7Very high46 Ų4652.8 Ų52.820%0.20228%0.281CS..G310 helixtrans-102.7-0.6177.2-59.9-23.5000113.6D50 P51 W635 R638 P640D50-F53 HydrophobicContact CB-CD2 4.01Å; D50-F53 HydrophobicContact CB-CE2 4.36Å; D50-F53 HydrophobicContact CB-CG 4.49Å; D50-F53 PolarHBondContact O-N 2.95Å; P51-F53 PolarHBondContact O-N 2.96Å; P51-F53 VanDerWaalsContact O-N 3.14Å; F53-W635 HydrophobicContact CE1-CD2 4.5Å; F53-W635 AromaticContact CE1-CE2 3.91Å; F53-W635 AromaticContact CE1-CH2 3.79Å; F53-W635 HydrophobicContact CE1-CH2 3.79Å; F53-W635 AromaticContact CE1-CZ2 3.54Å; F53-W635 HydrophobicContact CE1-CZ2 3.54Å; F53-W635 HydrophobicContact CE1-CZ3 4.35Å; F53-W635 AromaticContact CZ-CD2 3.84Å; F53-W635 HydrophobicContact CZ-CD2 3.84Å; F53-W635 AromaticContact CZ-CE2 3.47Å; F53-W635 VanDerWaalsContact CZ-CE2 3.47Å; F53-W635 HydrophobicContact CZ-CE3 4.28Å; F53-W635 HydrophobicContact CZ-CG 4.37Å; F53-W635 HydrophobicContact CZ-CH2 4.11Å; F53-W635 AromaticContact CZ-CZ2 3.63Å; F53-W635 HydrophobicContact CZ-CZ2 3.63Å; F53-W635 HydrophobicContact CZ-CZ3 4.41Å; F53-W635 AromaticContact CZ-NE1 3.76Å; F53-W635 WeakPolarHBondContact CZ-O 3.35Å; F53-R638 HydrophobicContact CE2-CB 3.93Å; F53-P640 HydrophobicContact CB-CG 3.74Å; F53-P640 HydrophobicContact CD1-CG 4.43Å; F53-P640 HydrophobicContact CG-CG 4.2Å
54L96.9Very high95.8Very high29 Ų2954.3 Ų54.315%0.15229%0.291CS..SBendtrans-100.6145.5179.2-61-177.5000111.9D49 P51 E58 R59D49-L54 HydrophobicContact CB-CD1 4.23Å; D49-L54 HydrophobicContact CB-CD2 4.06Å; D49-L54 HydrophobicContact CB-CG 4.3Å; P51-L54 PolarHBondContact O-N 3.28Å; L54-E58 HydrophobicContact CB-CB 3.99Å; L54-E58 HydrophobicContact CD1-CB 4.42Å; L54-E58 HydrophobicContact CD2-CB 4.21Å; L54-E58 HydrophobicContact CG-CB 4.44Å; L54-R59 HydrophobicContact CB-CG 3.73Å; L54-R59 HydrophobicContact CD1-CG 4.48Å; L54-R59 PolarHBondContact O-NE 2.96Å; L54-R59 VanDerWaalsContact O-NE 3.12Å
55S97.7Very high95.9Very high59 Ų5954.5 Ų54.541%0.41328%0.28SS..  trans-64.4163.4165.172.80000111.1S57 E58 R59S55-S57 PolarHBondContact O-N 2.93Å; S55-E58 WeakPolarHBondContact CA-OE2 3.46Å; S55-E58 WeakPolarHBondContact CB-OE2 3.39Å; S55-E58 PolarHBondContact N-OE2 2.91Å; S55-E58 PolarHBondContact O-N 3.41Å; S55-E58 VanDerWaalsContact OG-CD 3.26Å; S55-E58 WeakPolarHBondContact OG-CG 3.44Å; S55-E58 PolarHBondContact OG-N 3.43Å; S55-E58 PolarHBondContact OG-OE2 2.77Å; S55-R59 VanDerWaalsContact O-CG 3.28Å; S55-R59 WeakPolarHBondContact O-CG 3.36Å; S55-R59 PolarHBondContact O-N 2.82Å
56R97.3Very high96Very high70 Ų7052.2 Ų52.226%0.26427%0.267SS..Hα-helixtrans-57.2-38.3177.6-176.2177.1-179-100.58.8112.9R59 Y60 D225 G227 N233R56-R59 PolarHBondContact O-N 2.89Å; R56-Y60 PolarHBondContact O-N 2.92Å; R56-D225 IonicContact CZ-OD1 3.01Å; R56-D225 IonicContact CZ-OD2 3.85Å; R56-D225 VanDerWaalsContact CZ-OD2 3.25Å; R56-D225 IonicContact NH1-OD1 3.25Å; R56-D225 IonicContact NH1-OD2 2.92Å; R56-D225 PolarHBondContact NH1-OD2 2.73Å; R56-D225 IonicContact NH2-OD1 2.78Å; R56-D225 PolarHBondContact NH2-OD1 3.14Å; R56-D225 IonicContact NH2-OD2 2.85Å; R56-D225 PolarHBondContact NH2-OD2 3.4Å; R56-G227 PolarHBondContact NH2-O 2.89Å; R56-N233 HydrophobicContact CG-CB 4.21Å
57S98.1Very high96.1Very high90 Ų9051.5 Ų51.563%0.62926%0.264SS*.Hα-helixtrans-67.2-43.9-179.8-166.60000111.5S55 Y60 D61S55-S57 PolarHBondContact O-N 2.93Å; S57-Y60 PolarHBondContact O-N 2.75Å; S57-D61 PolarHBondContact O-N 3.12Å
58E98Very high96.4Very high101 Ų10148.8 Ų48.847%0.47226%0.255SS..Hα-helixtrans-66.5-37.9177.7-69158.9145.900111.5L54 S55 D61 Q62L54-E58 HydrophobicContact CB-CB 3.99Å; L54-E58 HydrophobicContact CD1-CB 4.42Å; L54-E58 HydrophobicContact CD2-CB 4.21Å; L54-E58 HydrophobicContact CG-CB 4.44Å; S55-E58 WeakPolarHBondContact CA-OE2 3.46Å; S55-E58 WeakPolarHBondContact CB-OE2 3.39Å; S55-E58 PolarHBondContact N-OE2 2.91Å; S55-E58 PolarHBondContact O-N 3.41Å; S55-E58 VanDerWaalsContact OG-CD 3.26Å; S55-E58 WeakPolarHBondContact OG-CG 3.44Å; S55-E58 PolarHBondContact OG-N 3.43Å; S55-E58 PolarHBondContact OG-OE2 2.77Å; E58-D61 PolarHBondContact O-N 2.87Å; E58-Q62 WeakPolarHBondContact O-CB 3.22Å; E58-Q62 PolarHBondContact O-N 3.11Å
59R97.4Very high96.8Very high16 Ų1648.2 Ų48.26%0.0625%0.253CS..Hα-helixtrans-60.1-46.4172.7-72172.9-178-130.13.1112.6P51 L54 S55 R56 A63 E234 R403P51-R59 HydrophobicContact CB-CG 4.36Å; P51-R59 PolarHBondContact O-NE 2.93Å; P51-R59 PolarHBondContact O-NH2 2.74Å; L54-R59 HydrophobicContact CB-CG 3.73Å; L54-R59 HydrophobicContact CD1-CG 4.48Å; L54-R59 PolarHBondContact O-NE 2.96Å; L54-R59 VanDerWaalsContact O-NE 3.12Å; S55-R59 VanDerWaalsContact O-CG 3.28Å; S55-R59 WeakPolarHBondContact O-CG 3.36Å; S55-R59 PolarHBondContact O-N 2.82Å; R56-R59 PolarHBondContact O-N 2.89Å; R59-A63 VanDerWaalsContact O-CB 3.31Å; R59-A63 WeakPolarHBondContact O-CB 3.36Å; R59-A63 PolarHBondContact O-N 2.86Å; R59-E234 HydrophobicContact CB-CG 4.16Å; R59-E234 WeakPolarHBondContact CD-OE1 3.49Å; R59-E234 IonicContact NH1-OE1 3.69Å; R59-E234 PolarHBondContact NH1-OE1 2.61Å; R59-R403 VanDerWaalsContact NH1-NH2 3.18Å
60Y98.3Very high97Very high53 Ų5343 Ų4321%0.20823%0.225CC..Hα-helixtrans-62.3-46.8177171.7-106.7000111.2R56 S57 Q62 A63 V64 P99 K182 T183 D236R56-Y60 PolarHBondContact O-N 2.92Å; S57-Y60 PolarHBondContact O-N 2.75Å; Y60-Q62 PolarHBondContact O-N 2.93Å; Y60-A63 PolarHBondContact O-N 3.03Å; Y60-V64 HydrophobicContact CD1-CG2 4.43Å; Y60-V64 HydrophobicContact CD2-CG2 4.1Å; Y60-V64 HydrophobicContact CE1-CG2 3.96Å; Y60-V64 HydrophobicContact CE2-CG2 3.57Å; Y60-V64 VanDerWaalsContact CZ-CG2 3.49Å; Y60-V64 WeakPolarHBondContact O-CG2 3.46Å; Y60-V64 PolarHBondContact O-N 3.36Å; Y60-P99 HydrophobicContact CD2-CG 4.08Å; Y60-P99 HydrophobicContact CE2-CB 4.23Å; Y60-P99 HydrophobicContact CE2-CG 3.86Å; Y60-K182 HydrophobicContact CE1-CB 4.27Å; Y60-K182 WeakPolarHBondContact OH-CB 3.42Å; Y60-T183 PolarHBondContact OH-OG1 3.09Å; Y60-D236 HydrophobicContact CD2-CB 4.19Å; Y60-D236 HydrophobicContact CE2-CB 3.73Å; Y60-D236 WeakPolarHBondContact CE2-OD1 3.22Å
61D97.9Very high97Very high109 Ų10942.2 Ų42.258%0.58322%0.221SC*.Hα-helixtrans-57.8-50.2177.2-178.376.1000111.9S57 E58 A63 V64 R65S57-D61 PolarHBondContact O-N 3.12Å; E58-D61 PolarHBondContact O-N 2.87Å; D61-A63 VanDerWaalsContact C-N 3.3Å; D61-A63 PolarHBondContact O-N 2.97Å; D61-V64 PolarHBondContact O-N 3.3Å; D61-R65 WeakPolarHBondContact O-CB 3.36Å; D61-R65 PolarHBondContact O-N 2.91Å
62Q97.1Very high97.1Very high16 Ų1646.6 Ų46.68%0.07524%0.243CC..Hα-helixtrans-58.4-40.6175.6179.9166.9-89.900112.1E48 D49 E58 Y60 K66E48-Q62 HydrophobicContact CB-CG 4.4Å; E48-Q62 PolarHBondContact OE2-NE2 2.97Å; D49-Q62 PolarHBondContact O-NE2 2.98Å; D49-Q62 VanDerWaalsContact O-NE2 3.14Å; E58-Q62 WeakPolarHBondContact O-CB 3.22Å; E58-Q62 PolarHBondContact O-N 3.11Å; Y60-Q62 PolarHBondContact O-N 2.93Å; Q62-K66 WeakPolarHBondContact O-CB 3.09Å; Q62-K66 WeakPolarHBondContact O-CG 3.45Å; Q62-K66 PolarHBondContact O-N 2.88Å
63A97.4Very high97.2Very high7 Ų746.7 Ų46.76%0.05824%0.242CC..Hα-helixtrans-67.4-43178.100000112.3R59 Y60 D61 K66 S67 P99 E234R59-A63 VanDerWaalsContact O-CB 3.31Å; R59-A63 WeakPolarHBondContact O-CB 3.36Å; R59-A63 PolarHBondContact O-N 2.86Å; Y60-A63 PolarHBondContact O-N 3.03Å; D61-A63 VanDerWaalsContact C-N 3.3Å; D61-A63 PolarHBondContact O-N 2.97Å; A63-K66 PolarHBondContact O-N 3.06Å; A63-S67 WeakPolarHBondContact O-CB 3.34Å; A63-S67 PolarHBondContact O-N 3.28Å; A63-S67 PolarHBondContact O-OG 3.03Å; A63-P99 HydrophobicContact CB-CG 4.18Å; A63-E234 HydrophobicContact CB-CB 3.87Å; A63-E234 HydrophobicContact CB-CG 4.34Å
64V97.8Very high97.1Very high42 Ų4245.2 Ų45.226%0.25524%0.236SC..Hα-helixtrans-61.4-46.4174.8173.10000110.6Y60 D61 K66 S67 A68 P99Y60-V64 HydrophobicContact CD1-CG2 4.43Å; Y60-V64 HydrophobicContact CD2-CG2 4.1Å; Y60-V64 HydrophobicContact CE1-CG2 3.96Å; Y60-V64 HydrophobicContact CE2-CG2 3.57Å; Y60-V64 VanDerWaalsContact CZ-CG2 3.49Å; Y60-V64 WeakPolarHBondContact O-CG2 3.46Å; Y60-V64 PolarHBondContact O-N 3.36Å; D61-V64 PolarHBondContact O-N 3.3Å; V64-K66 PolarHBondContact O-N 3.12Å; V64-S67 PolarHBondContact O-N 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.41Å; V64-A68 PolarHBondContact O-N 3.48Å; V64-P99 HydrophobicContact CG2-CB 4.32Å; V64-P99 HydrophobicContact CG2-CG 3.8Å
65R97.5Very high97Very high92 Ų9249.9 Ų49.935%0.34725%0.252SS..Hα-helixtrans-55.5-52.1176.6-179.5-175.964.776.8-5.1111.3D45 N47 D61 A68 Q69D45-R65 PolarHBondContact O-NH1 3.17Å; N47-R65 PolarHBondContact O-NH2 3.04Å; D61-R65 WeakPolarHBondContact O-CB 3.36Å; D61-R65 PolarHBondContact O-N 2.91Å; R65-A68 PolarHBondContact O-N 3.42Å; R65-Q69 WeakPolarHBondContact O-CG 3.49Å; R65-Q69 PolarHBondContact O-N 3.4Å
66K97.3Very high96.8Very high12 Ų1253.4 Ų53.45%0.05226%0.262CS..Hα-helixtrans-63.2-42.5179-72.9-167.5-55.5169.60112.2F46 E48 Q62 A63 V64 A68 Q69 M70 V92F46-K66 HydrophobicContact CD1-CB 4.43Å; F46-K66 HydrophobicContact CD1-CG 4.41Å; E48-K66 IonicContact OE1-NZ 2.94Å; E48-K66 WeakPolarHBondContact OE2-CE 3.28Å; E48-K66 IonicContact OE2-NZ 2.69Å; E48-K66 PolarHBondContact OE2-NZ 3.11Å; Q62-K66 WeakPolarHBondContact O-CB 3.09Å; Q62-K66 WeakPolarHBondContact O-CG 3.45Å; Q62-K66 PolarHBondContact O-N 2.88Å; A63-K66 PolarHBondContact O-N 3.06Å; V64-K66 PolarHBondContact O-N 3.12Å; K66-A68 PolarHBondContact O-N 2.87Å; K66-Q69 PolarHBondContact O-N 3.17Å; K66-M70 VanDerWaalsContact O-CB 3.3Å; K66-M70 WeakPolarHBondContact O-CB 3.06Å; K66-M70 PolarHBondContact O-N 3.03Å; K66-V92 HydrophobicContact CB-CG1 3.93Å; K66-V92 PolarHBondContact NZ-O 2.79Å
67S97Very high96.7Very high3 Ų354.1 Ų54.12%0.02127%0.265CS..Hα-helixtrans-64.3-39.9177.7-700000111.9A63 V64 M70 I71 E98A63-S67 WeakPolarHBondContact O-CB 3.34Å; A63-S67 PolarHBondContact O-N 3.28Å; A63-S67 PolarHBondContact O-OG 3.03Å; V64-S67 PolarHBondContact O-N 3.23Å; S67-M70 WeakPolarHBondContact O-CB 3.47Å; S67-M70 PolarHBondContact O-N 3.4Å; S67-I71 WeakPolarHBondContact O-CG1 3.29Å; S67-I71 PolarHBondContact O-N 3.06Å; S67-E98 PolarHBondContact OG-OE2 3Å
68A96.6Very high96.5Very high41 Ų4152.7 Ų52.734%0.33926%0.264SS..Hα-helixtrans-62.4-48.4174.500000111.7V64 R65 K66 M70 I71 L72V64-A68 WeakPolarHBondContact O-CB 3.41Å; V64-A68 PolarHBondContact O-N 3.48Å; R65-A68 PolarHBondContact O-N 3.42Å; K66-A68 PolarHBondContact O-N 2.87Å; A68-M70 VanDerWaalsContact C-N 3.34Å; A68-M70 PolarHBondContact O-N 3.13Å; A68-I71 PolarHBondContact O-N 3.41Å; A68-L72 PolarHBondContact O-N 3.2Å
69Q97.3Very high96.3Very high57 Ų5748.3 Ų48.327%0.26624%0.244SC..Hα-helixtrans-62.1-40.9177.5-69.6-59.2-18.500112.3D45 F46 R65 K66 I71 L72 K73D45-Q69 HydrophobicContact CB-CB 4.42Å; D45-Q69 HydrophobicContact CB-CG 4.29Å; F46-Q69 HydrophobicContact CE1-CB 3.92Å; F46-Q69 HydrophobicContact CZ-CB 4.4Å; R65-Q69 WeakPolarHBondContact O-CG 3.49Å; R65-Q69 PolarHBondContact O-N 3.4Å; K66-Q69 PolarHBondContact O-N 3.17Å; Q69-I71 VanDerWaalsContact C-N 3.29Å; Q69-I71 PolarHBondContact O-N 3.03Å; Q69-L72 PolarHBondContact O-N 3.26Å; Q69-L72 VanDerWaalsContact O-N 3.12Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.5Å; Q69-K73 PolarHBondContact O-N 3.37Å
70M96.6Very high96Very high2 Ų251.4 Ų51.41%0.0127%0.273CS..Hα-helixtrans-53.6-45.3175.4175.8-174.769.900112F46 K66 S67 A68 K73 L74 Y88 K89 V92F46-M70 HydrophobicContact CE1-CB 4.18Å; F46-M70 HydrophobicContact CZ-CB 4.38Å; K66-M70 VanDerWaalsContact O-CB 3.3Å; K66-M70 WeakPolarHBondContact O-CB 3.06Å; K66-M70 PolarHBondContact O-N 3.03Å; S67-M70 WeakPolarHBondContact O-CB 3.47Å; S67-M70 PolarHBondContact O-N 3.4Å; A68-M70 VanDerWaalsContact C-N 3.34Å; A68-M70 PolarHBondContact O-N 3.13Å; M70-K73 PolarHBondContact O-N 3.34Å; M70-L74 HydrophobicContact CG-CD1 3.95Å; M70-L74 HydrophobicContact CG-CG 4.36Å; M70-L74 WeakPolarHBondContact O-CB 3.18Å; M70-L74 WeakPolarHBondContact O-CG 3.21Å; M70-L74 PolarHBondContact O-N 3.17Å; M70-Y88 HydrophobicContact CG-CD1 3.87Å; M70-Y88 HydrophobicContact CG-CE1 3.92Å; M70-K89 HydrophobicContact CE-CD 4.29Å; M70-K89 HydrophobicContact CE-CG 4.28Å; M70-K89 VanDerWaalsContact SD-CA 3.56Å; M70-K89 HydrophobicContact SD-CB 3.64Å; M70-K89 HydrophobicContact SD-CD 4.43Å; M70-K89 HydrophobicContact SD-CG 3.83Å; M70-V92 HydrophobicContact CB-CG1 4.22Å; M70-V92 HydrophobicContact CB-CG2 4.24Å; M70-V92 HydrophobicContact CG-CG2 4.11Å; M70-V92 HydrophobicContact SD-CB 4.2Å; M70-V92 HydrophobicContact SD-CG1 4.38Å; M70-V92 HydrophobicContact SD-CG2 4.32Å
71I95.1Very high95.6Very high15 Ų1552.4 Ų52.48%0.07728%0.282CS..Hα-helixtrans-66.3-39.6179.9-60.3-47.6000111.8S67 A68 Q69 L74 R75 F100 F130S67-I71 WeakPolarHBondContact O-CG1 3.29Å; S67-I71 PolarHBondContact O-N 3.06Å; A68-I71 PolarHBondContact O-N 3.41Å; Q69-I71 VanDerWaalsContact C-N 3.29Å; Q69-I71 PolarHBondContact O-N 3.03Å; I71-L74 HydrophobicContact CD1-CD1 4.24Å; I71-R75 WeakPolarHBondContact O-CG 3.33Å; I71-R75 PolarHBondContact O-N 3.44Å; I71-F100 HydrophobicContact CG1-CD2 4.14Å; I71-F100 HydrophobicContact CG1-CE2 4.25Å; I71-F130 HydrophobicContact CD1-CD1 4.17Å; I71-F130 HydrophobicContact CD1-CD2 4.41Å; I71-F130 HydrophobicContact CD1-CE1 3.46Å; I71-F130 VanDerWaalsContact CD1-CE1 3.46Å; I71-F130 HydrophobicContact CD1-CE2 3.75Å; I71-F130 HydrophobicContact CD1-CZ 3.22Å; I71-F130 HydrophobicContact CG1-CD1 3.77Å; I71-F130 HydrophobicContact CG1-CD2 4.36Å; I71-F130 HydrophobicContact CG1-CE1 3.56Å; I71-F130 HydrophobicContact CG1-CE2 4.18Å; I71-F130 HydrophobicContact CG1-CG 4.18Å; I71-F130 HydrophobicContact CG1-CZ 3.79Å; I71-F130 HydrophobicContact CG2-CB 4.28Å; I71-F130 HydrophobicContact CG2-CD1 4.27Å; I71-F130 HydrophobicContact CG2-CD2 3.63Å; I71-F130 HydrophobicContact CG2-CE2 3.97Å; I71-F130 HydrophobicContact CG2-CG 3.81Å; I71-F130 HydrophobicContact CG2-CZ 4.44Å
72L96.1Very high95Very high95 Ų9552 Ų5250%0.49729%0.285SS..Hα-helixtrans-63.1-46.8176.3-63.4175.6000111.1A68 Q69 R75 E76A68-L72 PolarHBondContact O-N 3.2Å; Q69-L72 PolarHBondContact O-N 3.26Å; Q69-L72 VanDerWaalsContact O-N 3.12Å; L72-R75 WeakPolarHBondContact O-CB 3.48Å; L72-R75 PolarHBondContact O-N 2.88Å; L72-E76 PolarHBondContact O-N 3.38Å
73K96.5Very high94.5Very high25 Ų2555.4 Ų55.411%0.10930%0.301CS..Hα-helixtrans-67.6-39.4-179.6-62.8-72.9173.4142.10112.9D43 D45 F46 Q69 M70 R75 E76 Y77 Y88D43-K73 IonicContact OD1-NZ 3.03Å; D43-K73 PolarHBondContact OD1-NZ 2.7Å; D43-K73 WeakPolarHBondContact OD2-CD 3.25Å; D43-K73 VanDerWaalsContact OD2-CE 3.24Å; D43-K73 WeakPolarHBondContact OD2-CE 3.34Å; D43-K73 IonicContact OD2-NZ 3.2Å; D43-K73 PolarHBondContact OD2-NZ 2.72Å; D45-K73 WeakPolarHBondContact OD2-CE 3.44Å; D45-K73 IonicContact OD2-NZ 2.94Å; D45-K73 PolarHBondContact OD2-NZ 3.04Å; F46-K73 HydrophobicContact CE2-CG 4.34Å; F46-K73 HydrophobicContact CZ-CB 4.44Å; F46-K73 HydrophobicContact CZ-CG 4.04Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.5Å; Q69-K73 PolarHBondContact O-N 3.37Å; M70-K73 PolarHBondContact O-N 3.34Å; K73-R75 PolarHBondContact O-N 3.11Å; K73-E76 PolarHBondContact O-N 3.12Å; K73-Y77 HydrophobicContact CB-CD2 4.22Å; K73-Y77 HydrophobicContact CB-CE2 3.95Å; K73-Y77 HydrophobicContact CD-CE2 4.3Å; K73-Y77 WeakPolarHBondContact O-CB 3.26Å; K73-Y77 WeakPolarHBondContact O-CD2 3.31Å; K73-Y77 PolarHBondContact O-N 3.17Å; K73-Y88 VanDerWaalsContact CB-OH 3.28Å; K73-Y88 WeakPolarHBondContact CB-OH 3.41Å
74L95.1Very high94.3Very high15 Ų1557.1 Ų57.18%0.07931%0.308CS..Hα-helixtrans-56.9-39173.7-77.2171.6000111.4M70 I71 G78 I79 I85 Y88M70-L74 HydrophobicContact CG-CD1 3.95Å; M70-L74 HydrophobicContact CG-CG 4.36Å; M70-L74 WeakPolarHBondContact O-CB 3.18Å; M70-L74 WeakPolarHBondContact O-CG 3.21Å; M70-L74 PolarHBondContact O-N 3.17Å; I71-L74 HydrophobicContact CD1-CD1 4.24Å; L74-G78 PolarHBondContact O-N 2.95Å; L74-G78 VanDerWaalsContact O-N 3.14Å; L74-I79 HydrophobicContact CD2-CB 3.71Å; L74-I79 HydrophobicContact CD2-CD1 4.2Å; L74-I79 HydrophobicContact CD2-CG2 3.69Å; L74-I79 PolarHBondContact O-N 3.47Å; L74-I85 HydrophobicContact CD1-CG2 4.3Å; L74-I85 HydrophobicContact CD2-CG1 4.31Å; L74-Y88 HydrophobicContact CD2-CD1 3.83Å; L74-Y88 HydrophobicContact CD2-CD2 4.12Å; L74-Y88 HydrophobicContact CD2-CE1 4.42Å; L74-Y88 HydrophobicContact CD2-CG 3.67Å; L74-Y88 HydrophobicContact CG-CD1 4.09Å; L74-Y88 HydrophobicContact CG-CE1 4.38Å; L74-Y88 HydrophobicContact CG-CG 4.43Å
75R93.9Very high94.1Very high127 Ų12757.3 Ų57.348%0.47931%0.307SS..Hα-helixtrans-71.3-45175.3-68.8178.7-173.9164.212.4112.6I71 L72 K73 Y77 G78 S129I71-R75 WeakPolarHBondContact O-CG 3.33Å; I71-R75 PolarHBondContact O-N 3.44Å; L72-R75 WeakPolarHBondContact O-CB 3.48Å; L72-R75 PolarHBondContact O-N 2.88Å; K73-R75 PolarHBondContact O-N 3.11Å; R75-Y77 VanDerWaalsContact C-N 3.28Å; R75-Y77 PolarHBondContact O-N 2.75Å; R75-G78 PolarHBondContact O-N 2.75Å; R75-G78 VanDerWaalsContact O-N 3.09Å; R75-S129 PolarHBondContact NH2-O 3.3Å
76E95.3Very high93.7Very high134 Ų13455.4 Ų55.463%0.62630%0.3SS*.Hα-helixtrans-56.2-44.7177.4-174.4-174.1155.100111.4L72 K73 G78L72-E76 PolarHBondContact O-N 3.38Å; K73-E76 PolarHBondContact O-N 3.12Å; E76-G78 VanDerWaalsContact C-N 3.3Å; E76-G78 PolarHBondContact O-N 2.95Å
77Y94.8Very high93.5Very high85 Ų8556.6 Ų56.633%0.33331%0.306SS..THydrogen-bonded Turntrans-82.2-4.4178.8-59.5-41.4000114.3L39 K73 R75 I79 Y88L39-Y77 HydrophobicContact CD1-CD2 4.4Å; K73-Y77 HydrophobicContact CB-CD2 4.22Å; K73-Y77 HydrophobicContact CB-CE2 3.95Å; K73-Y77 HydrophobicContact CD-CE2 4.3Å; K73-Y77 WeakPolarHBondContact O-CB 3.26Å; K73-Y77 WeakPolarHBondContact O-CD2 3.31Å; K73-Y77 PolarHBondContact O-N 3.17Å; R75-Y77 VanDerWaalsContact C-N 3.28Å; R75-Y77 PolarHBondContact O-N 2.75Å; Y77-I79 HydrophobicContact CD2-CD1 4.33Å; Y77-I79 PolarHBondContact O-N 3.11Å; Y77-Y88 HydrophobicContact CD2-CE2 4.1Å; Y77-Y88 HydrophobicContact CE2-CE2 4.28Å
78G94.3Very high93.4Very high59 Ų5956.4 Ų56.461%0.60831%0.305SS*.THydrogen-bonded Turntrans62.527.3-177.100000114L74 R75 E76 A80L74-G78 PolarHBondContact O-N 2.95Å; L74-G78 VanDerWaalsContact O-N 3.14Å; R75-G78 PolarHBondContact O-N 2.75Å; R75-G78 VanDerWaalsContact O-N 3.09Å; E76-G78 VanDerWaalsContact C-N 3.3Å; E76-G78 PolarHBondContact O-N 2.95Å; G78-A80 PolarHBondContact O-N 3.18Å; G78-A80 VanDerWaalsContact O-N 3.16Å
79I94.1Very high93.3Very high10 Ų1055.5 Ų55.55%0.05129%0.293CS..  trans-79.3100.1179.4-61.7171.9000108.5L39 L74 Y77 E84 I85 Y88L39-I79 HydrophobicContact CD1-CD1 4.45Å; L74-I79 HydrophobicContact CD2-CB 3.71Å; L74-I79 HydrophobicContact CD2-CD1 4.2Å; L74-I79 HydrophobicContact CD2-CG2 3.69Å; L74-I79 PolarHBondContact O-N 3.47Å; Y77-I79 HydrophobicContact CD2-CD1 4.33Å; Y77-I79 PolarHBondContact O-N 3.11Å; I79-E84 HydrophobicContact CG2-CB 3.63Å; I79-I85 HydrophobicContact CG2-CG1 4.1Å; I79-Y88 HydrophobicContact CD1-CD2 3.7Å; I79-Y88 HydrophobicContact CD1-CE2 4.08Å
80A89.6Confident93Very high80 Ų8053.4 Ų53.466%0.66129%0.285SS*.  trans-114.5-14.6-178.300000113.8G78G78-A80 PolarHBondContact O-N 3.18Å; G78-A80 VanDerWaalsContact O-N 3.16Å
81D90.2Very high92.9Very high74 Ų7454.3 Ų54.340%0.39629%0.289SS..  trans-67.3130.9178.6175.8-91000110.9E83 E84 I85D81-E83 VanDerWaalsContact C-N 3.34Å; D81-E83 PolarHBondContact O-N 2.84Å; D81-E83 WeakPolarHBondContact OD1-CA 3.48Å; D81-E83 VanDerWaalsContact OD1-CB 3.23Å; D81-E83 WeakPolarHBondContact OD1-CB 3.49Å; D81-E83 PolarHBondContact OD1-N 3.12Å; D81-E84 HydrophobicContact CB-CB 4.06Å; D81-E84 HydrophobicContact CB-CG 3.89Å; D81-E84 PolarHBondContact O-N 2.86Å; D81-E84 PolarHBondContact OD1-N 2.71Å; D81-I85 VanDerWaalsContact O-CG1 3.28Å; D81-I85 WeakPolarHBondContact O-CG1 3.39Å; D81-I85 PolarHBondContact O-N 3.34Å
82P86Confident92.9Very high100 Ų10053.9 Ų53.965%0.64929%0.288SS*.Hα-helixtrans-61.5-34.1-177.1-26.135.4000115.2Y86P82-Y86 WeakPolarHBondContact O-CB 3.3Å; P82-Y86 PolarHBondContact O-N 2.84Å
83E86.6Confident92.6Very high88 Ų8850.9 Ų50.941%0.41127%0.271SS..Hα-helixtrans-69.9-44.9177.4-171.8176-174.400109.2K29 D81 Y86 H87K29-E83 IonicContact NZ-OE1 3.37Å; K29-E83 PolarHBondContact NZ-OE1 3.07Å; K29-E83 IonicContact NZ-OE2 3.45Å; K29-E83 PolarHBondContact NZ-OE2 3.03Å; D81-E83 VanDerWaalsContact C-N 3.34Å; D81-E83 PolarHBondContact O-N 2.84Å; D81-E83 WeakPolarHBondContact OD1-CA 3.48Å; D81-E83 VanDerWaalsContact OD1-CB 3.23Å; D81-E83 WeakPolarHBondContact OD1-CB 3.49Å; D81-E83 PolarHBondContact OD1-N 3.12Å; E83-Y86 WeakPolarHBondContact O-CB 3.38Å; E83-Y86 PolarHBondContact O-N 3.46Å; E83-H87 PolarHBondContact O-CD2 2.97Å; E83-H87 PolarHBondContact O-N 2.77Å
84E93.5Very high92.3Very high43 Ų4350 Ų5020%0.20127%0.269CS..Hα-helixtrans-63.4-43.8175.5-63.5-168.6172.800113.1R32 I36 I79 D81 Y86 H87 Y88R32-E84 WeakPolarHBondContact CG-OE1 3.36Å; R32-E84 IonicContact CZ-OE1 2.79Å; R32-E84 IonicContact CZ-OE2 3.85Å; R32-E84 VanDerWaalsContact NE-CD 3.27Å; R32-E84 IonicContact NE-OE1 3.41Å; R32-E84 PolarHBondContact NE-OE1 3.41Å; R32-E84 IonicContact NE-OE2 2.88Å; R32-E84 PolarHBondContact NE-OE2 2.88Å; R32-E84 IonicContact NH2-OE1 2.78Å; R32-E84 PolarHBondContact NH2-OE1 3.29Å; R32-E84 IonicContact NH2-OE2 2.63Å; R32-E84 PolarHBondContact NH2-OE2 2.81Å; I36-E84 HydrophobicContact CD1-CB 3.66Å; I36-E84 HydrophobicContact CD1-CG 3.75Å; I79-E84 HydrophobicContact CG2-CB 3.63Å; D81-E84 HydrophobicContact CB-CB 4.06Å; D81-E84 HydrophobicContact CB-CG 3.89Å; D81-E84 PolarHBondContact O-N 2.86Å; D81-E84 PolarHBondContact OD1-N 2.71Å; E84-Y86 VanDerWaalsContact C-N 3.27Å; E84-Y86 PolarHBondContact O-N 2.85Å; E84-H87 PolarHBondContact O-N 3.29Å; E84-Y88 WeakPolarHBondContact O-CB 3.42Å; E84-Y88 PolarHBondContact O-N 2.88Å
85I92.6Very high91.9Very high46 Ų4650 Ų5024%0.23627%0.269CS..Hα-helixtrans-58.6-43.3174.4-70.4167.4000109.9L74 I79 D81 Y88 K89L74-I85 HydrophobicContact CD1-CG2 4.3Å; L74-I85 HydrophobicContact CD2-CG1 4.31Å; I79-I85 HydrophobicContact CG2-CG1 4.1Å; D81-I85 VanDerWaalsContact O-CG1 3.28Å; D81-I85 WeakPolarHBondContact O-CG1 3.39Å; D81-I85 PolarHBondContact O-N 3.34Å; I85-Y88 PolarHBondContact O-N 3.17Å; I85-K89 WeakPolarHBondContact O-CB 3.22Å; I85-K89 PolarHBondContact O-N 3.47Å
86Y89.8Confident91.8Very high52 Ų5244.4 Ų44.420%0.20425%0.248CC..Hα-helixtrans-61.1-45.4176.9173-89.1000111.4P82 E83 E84 S90 M284 E288 R291P82-Y86 WeakPolarHBondContact O-CB 3.3Å; P82-Y86 PolarHBondContact O-N 2.84Å; E83-Y86 WeakPolarHBondContact O-CB 3.38Å; E83-Y86 PolarHBondContact O-N 3.46Å; E84-Y86 VanDerWaalsContact C-N 3.27Å; E84-Y86 PolarHBondContact O-N 2.85Å; Y86-S90 VanDerWaalsContact O-CB 3.23Å; Y86-S90 WeakPolarHBondContact O-CB 3.35Å; Y86-S90 PolarHBondContact O-N 3.04Å; Y86-M284 HydrophobicContact CD2-CE 4.01Å; Y86-M284 HydrophobicContact CE2-CE 3.93Å; Y86-E288 PolarHBondContact OH-OE1 2.71Å; Y86-R291 VanDerWaalsContact OH-CD 3.32Å; Y86-R291 WeakPolarHBondContact OH-CD 3.3Å; Y86-R291 PolarHBondContact OH-NE 2.92Å; Y86-R291 PolarHBondContact OH-NH1 2.74Å
87H92.4Very high91.7Very high37 Ų3740 Ų4017%0.17123%0.228CC..Hα-helixtrans-62.2-48.4176.7-71.9-60.9000112.2I36 E83 E84 K89 S90 M91I36-H87 HydrophobicContact CD1-CB 4.45Å; I36-H87 HydrophobicContact CG2-CB 4.15Å; E83-H87 PolarHBondContact O-CD2 2.97Å; E83-H87 PolarHBondContact O-N 2.77Å; E84-H87 PolarHBondContact O-N 3.29Å; H87-K89 PolarHBondContact O-N 2.84Å; H87-S90 WeakPolarHBondContact O-CB 3.19Å; H87-S90 PolarHBondContact O-N 3.16Å; H87-M91 PolarHBondContact O-N 3.06Å
88Y95.3Very high91.6Very high0 Ų036.5 Ų36.50%021%0.214CC..Hα-helixtrans-59.3-51.1179.5-166-76000110.9I36 L39 V40 F46 M70 K73 L74 Y77 I79 E84 I85 S90 M91 V92I36-Y88 VanDerWaalsContact CG2-CA 3.5Å; I36-Y88 HydrophobicContact CG2-CD2 3.87Å; I36-Y88 HydrophobicContact CG2-CG 4.22Å; L39-Y88 HydrophobicContact CB-CE2 4.36Å; V40-Y88 HydrophobicContact CG2-CD1 3.97Å; V40-Y88 HydrophobicContact CG2-CD2 3.83Å; V40-Y88 HydrophobicContact CG2-CE1 3.78Å; V40-Y88 HydrophobicContact CG2-CE2 3.62Å; V40-Y88 HydrophobicContact CG2-CG 3.98Å; F46-Y88 HydrophobicContact CE2-CE1 4.23Å; F46-Y88 VanDerWaalsContact CE2-OH 3.25Å; F46-Y88 WeakPolarHBondContact CE2-OH 3.41Å; F46-Y88 HydrophobicContact CZ-CE1 4.1Å; M70-Y88 HydrophobicContact CG-CD1 3.87Å; M70-Y88 HydrophobicContact CG-CE1 3.92Å; K73-Y88 VanDerWaalsContact CB-OH 3.28Å; K73-Y88 WeakPolarHBondContact CB-OH 3.41Å; L74-Y88 HydrophobicContact CD2-CD1 3.83Å; L74-Y88 HydrophobicContact CD2-CD2 4.12Å; L74-Y88 HydrophobicContact CD2-CE1 4.42Å; L74-Y88 HydrophobicContact CD2-CG 3.67Å; L74-Y88 HydrophobicContact CG-CD1 4.09Å; L74-Y88 HydrophobicContact CG-CE1 4.38Å; L74-Y88 HydrophobicContact CG-CG 4.43Å; Y77-Y88 HydrophobicContact CD2-CE2 4.1Å; Y77-Y88 HydrophobicContact CE2-CE2 4.28Å; I79-Y88 HydrophobicContact CD1-CD2 3.7Å; I79-Y88 HydrophobicContact CD1-CE2 4.08Å; E84-Y88 WeakPolarHBondContact O-CB 3.42Å; E84-Y88 PolarHBondContact O-N 2.88Å; I85-Y88 PolarHBondContact O-N 3.17Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 2.82Å; Y88-M91 PolarHBondContact O-N 3.49Å; Y88-V92 HydrophobicContact CD1-CG2 3.87Å; Y88-V92 HydrophobicContact CE1-CG2 3.68Å; Y88-V92 PolarHBondContact O-N 2.78Å
89K94.2Very high91.6Very high21 Ų2133.8 Ų33.89%0.09119%0.186CC..Hα-helixtrans-59.6-40.3176.8173168.3163.6163.10112.4M70 I85 H87 M91 V92 K93 E98M70-K89 HydrophobicContact CE-CD 4.29Å; M70-K89 HydrophobicContact CE-CG 4.28Å; M70-K89 VanDerWaalsContact SD-CA 3.56Å; M70-K89 HydrophobicContact SD-CB 3.64Å; M70-K89 HydrophobicContact SD-CD 4.43Å; M70-K89 HydrophobicContact SD-CG 3.83Å; I85-K89 WeakPolarHBondContact O-CB 3.22Å; I85-K89 PolarHBondContact O-N 3.47Å; H87-K89 PolarHBondContact O-N 2.84Å; K89-M91 VanDerWaalsContact C-N 3.29Å; K89-M91 PolarHBondContact O-N 2.97Å; K89-V92 PolarHBondContact O-N 3.07Å; K89-K93 WeakPolarHBondContact O-CG 3.37Å; K89-K93 PolarHBondContact O-N 2.75Å; K89-E98 WeakPolarHBondContact CE-OE1 3.43Å; K89-E98 IonicContact NZ-OE1 3.06Å; K89-E98 PolarHBondContact NZ-OE1 2.79Å
90S91.9Very high91.7Very high14 Ų1434 Ų3410%0.09819%0.186CC..Hα-helixtrans-57.6-45.8175.3-169.50000110Y86 H87 Y88 G94 K616Y86-S90 VanDerWaalsContact O-CB 3.23Å; Y86-S90 WeakPolarHBondContact O-CB 3.35Å; Y86-S90 PolarHBondContact O-N 3.04Å; H87-S90 WeakPolarHBondContact O-CB 3.19Å; H87-S90 PolarHBondContact O-N 3.16Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 2.82Å; S90-G94 PolarHBondContact O-N 2.92Å; S90-K616 VanDerWaalsContact C-NZ 3.3Å; S90-K616 PolarHBondContact O-NZ 2.75Å; S90-K616 WeakPolarHBondContact OG-CE 3.33Å; S90-K616 PolarHBondContact OG-NZ 2.81Å
91M93.9Very high91.9Very high20 Ų2031 Ų3110%0.09916%0.164CC..Hα-helixtrans-65.7-43.3179.3-64.3-52.4119.700113.1E37 V40 F41 H87 Y88 K89 K93 G94 K616E37-M91 HydrophobicContact CB-CG 4.34Å; E37-M91 HydrophobicContact CG-CE 4.31Å; E37-M91 HydrophobicContact CG-CG 3.71Å; E37-M91 HydrophobicContact CG-SD 3.74Å; V40-M91 HydrophobicContact CB-CB 3.88Å; V40-M91 HydrophobicContact CG1-CB 3.81Å; V40-M91 HydrophobicContact CG2-CB 3.98Å; F41-M91 HydrophobicContact CE1-CB 4.36Å; F41-M91 HydrophobicContact CE1-SD 4.08Å; F41-M91 HydrophobicContact CZ-CG 4.43Å; F41-M91 HydrophobicContact CZ-SD 3.66Å; H87-M91 PolarHBondContact O-N 3.06Å; Y88-M91 PolarHBondContact O-N 3.49Å; K89-M91 VanDerWaalsContact C-N 3.29Å; K89-M91 PolarHBondContact O-N 2.97Å; M91-K93 VanDerWaalsContact C-N 3.35Å; M91-K93 PolarHBondContact O-N 2.8Å; M91-G94 PolarHBondContact O-N 2.97Å; M91-K616 HydrophobicContact CE-CD 3.8Å; M91-K616 HydrophobicContact CE-CG 3.88Å; M91-K616 HydrophobicContact SD-CB 3.98Å; M91-K616 HydrophobicContact SD-CD 3.91Å; M91-K616 HydrophobicContact SD-CG 3.94Å
92V94.3Very high92.2Very high7 Ų729.9 Ų29.94%0.04216%0.157CC..Hα-helixtrans-61.2-42.3179.5173.30000112.3V40 F46 K66 M70 Y88 K89V40-V92 HydrophobicContact CG1-CG2 3.79Å; V40-V92 HydrophobicContact CG2-CG2 4.04Å; F46-V92 HydrophobicContact CD1-CB 4.46Å; F46-V92 HydrophobicContact CD1-CG1 3.77Å; F46-V92 HydrophobicContact CD1-CG2 3.98Å; F46-V92 HydrophobicContact CD2-CG2 4.34Å; F46-V92 HydrophobicContact CE1-CG1 3.86Å; F46-V92 HydrophobicContact CE1-CG2 3.78Å; F46-V92 HydrophobicContact CE2-CG2 4.2Å; F46-V92 HydrophobicContact CG-CG2 4.27Å; F46-V92 HydrophobicContact CZ-CG2 3.91Å; K66-V92 HydrophobicContact CB-CG1 3.93Å; K66-V92 PolarHBondContact NZ-O 2.79Å; M70-V92 HydrophobicContact CB-CG1 4.22Å; M70-V92 HydrophobicContact CB-CG2 4.24Å; M70-V92 HydrophobicContact CG-CG2 4.11Å; M70-V92 HydrophobicContact SD-CB 4.2Å; M70-V92 HydrophobicContact SD-CG1 4.38Å; M70-V92 HydrophobicContact SD-CG2 4.32Å; Y88-V92 HydrophobicContact CD1-CG2 3.87Å; Y88-V92 HydrophobicContact CE1-CG2 3.68Å; Y88-V92 PolarHBondContact O-N 2.78Å; K89-V92 PolarHBondContact O-N 3.07Å
93K91.3Very high92.7Very high32 Ų3225.2 Ų25.214%0.13913%0.127CC..Hα-helixtrans-81.9-13-176.480.4176.9-165.6167.90114.4K89 M91 N95 Q96 E98K89-K93 WeakPolarHBondContact O-CG 3.37Å; K89-K93 PolarHBondContact O-N 2.75Å; M91-K93 VanDerWaalsContact C-N 3.35Å; M91-K93 PolarHBondContact O-N 2.8Å; K93-N95 PolarHBondContact O-N 2.9Å; K93-Q96 VanDerWaalsContact CD-O 3.24Å; K93-Q96 WeakPolarHBondContact CD-O 3.14Å; K93-Q96 WeakPolarHBondContact CE-O 3.38Å; K93-Q96 WeakPolarHBondContact CG-O 3.4Å; K93-Q96 PolarHBondContact O-N 2.85Å; K93-Q96 VanDerWaalsContact O-N 3.12Å; K93-Q96 PolarHBondContact O-OE1 2.63Å; K93-E98 HydrophobicContact CB-CB 4.3Å; K93-E98 HydrophobicContact CB-CG 4.28Å; K93-E98 HydrophobicContact CD-CG 4.39Å
94G89.1Confident93Very high7 Ų723.1 Ų23.17%0.07212%0.12CC..THydrogen-bonded Turntrans61.5-128-17900000113.6S90 M91 K616S90-G94 PolarHBondContact O-N 2.92Å; M91-G94 PolarHBondContact O-N 2.97Å; G94-K616 PolarHBondContact O-NZ 3.19Å
95N87.5Confident92.9Very high13 Ų1323.5 Ų23.57%0.0713%0.125CC..THydrogen-bonded Turntrans-89-11175.4-74.7-28.2000112.9K93 K295 K616 L617K93-N95 PolarHBondContact O-N 2.9Å; N95-K295 PolarHBondContact OD1-NZ 3.01Å; N95-K616 PolarHBondContact OD1-O 3.37Å; N95-L617 PolarHBondContact ND2-O 2.9Å
96Q91.4Very high92.9Very high10 Ų1021.5 Ų21.55%0.04712%0.115CC..SBendtrans-86.6167.2-174.4-5977.78.900111.6K93 E234K93-Q96 VanDerWaalsContact CD-O 3.24Å; K93-Q96 WeakPolarHBondContact CD-O 3.14Å; K93-Q96 WeakPolarHBondContact CE-O 3.38Å; K93-Q96 WeakPolarHBondContact CG-O 3.4Å; K93-Q96 PolarHBondContact O-N 2.85Å; K93-Q96 VanDerWaalsContact O-N 3.12Å; K93-Q96 PolarHBondContact O-OE1 2.63Å; Q96-E234 HydrophobicContact CB-CG 4Å; Q96-E234 HydrophobicContact CG-CG 4.13Å
97Q92.3Very high93.2Very high43 Ų4319.1 Ų19.120%0.20111%0.105CC..  trans-91.5167.9164.1-58.5-61.9-13.800110.7F232 E234 V235 E413Q97-F232 HydrophobicContact CB-CD1 4.17Å; Q97-F232 HydrophobicContact CB-CE1 4.24Å; Q97-F232 HydrophobicContact CB-CG 4.47Å; Q97-F232 HydrophobicContact CG-CD1 3.94Å; Q97-F232 HydrophobicContact CG-CD2 4.05Å; Q97-F232 HydrophobicContact CG-CE1 3.65Å; Q97-F232 HydrophobicContact CG-CE2 3.77Å; Q97-F232 HydrophobicContact CG-CG 4.14Å; Q97-F232 HydrophobicContact CG-CZ 3.56Å; Q97-E234 VanDerWaalsContact O-CB 3.31Å; Q97-E234 WeakPolarHBondContact O-CB 3.12Å; Q97-V235 HydrophobicContact CB-CG2 3.44Å; Q97-V235 VanDerWaalsContact CB-CG2 3.44Å; Q97-E413 WeakPolarHBondContact CG-OE2 3.45Å
98E92.9Very high93.4Very high10 Ų1017.8 Ų17.85%0.04710%0.1CC..  trans-136.6149-174.466.179-156.900112.6S67 K89 K93 F100 G101S67-E98 PolarHBondContact OG-OE2 3Å; K89-E98 WeakPolarHBondContact CE-OE1 3.43Å; K89-E98 IonicContact NZ-OE1 3.06Å; K89-E98 PolarHBondContact NZ-OE1 2.79Å; K93-E98 HydrophobicContact CB-CB 4.3Å; K93-E98 HydrophobicContact CB-CG 4.28Å; K93-E98 HydrophobicContact CD-CG 4.39Å; E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.21Å; E98-F100 VanDerWaalsContact OE2-CA 3.28Å; E98-F100 WeakPolarHBondContact OE2-CA 3.47Å; E98-F100 VanDerWaalsContact OE2-CB 3.23Å; E98-F100 WeakPolarHBondContact OE2-CB 3.42Å; E98-F100 PolarHBondContact OE2-N 2.82Å; E98-G101 PolarHBondContact O-N 3.13Å; E98-G101 WeakPolarHBondContact OE1-CA 3.47Å; E98-G101 PolarHBondContact OE1-N 2.92Å
99P95.4Very high93.2Very high2 Ų218.6 Ų18.61%0.01311%0.105CC..THydrogen-bonded Turntrans-60.2-28.5-171.3-26.232.8000116.4Y60 A63 V64 G101 T183 E234Y60-P99 HydrophobicContact CD2-CG 4.08Å; Y60-P99 HydrophobicContact CE2-CB 4.23Å; Y60-P99 HydrophobicContact CE2-CG 3.86Å; A63-P99 HydrophobicContact CB-CG 4.18Å; V64-P99 HydrophobicContact CG2-CB 4.32Å; V64-P99 HydrophobicContact CG2-CG 3.8Å; P99-G101 PolarHBondContact O-N 3.48Å; P99-T183 HydrophobicContact CB-CG2 3.9Å; P99-T183 WeakPolarHBondContact CB-OG1 3.16Å; P99-E234 WeakPolarHBondContact CG-O 3.46Å
100F96Very high93.2Very high14 Ų1417.6 Ų17.66%0.06110%0.1CC..THydrogen-bonded Turntrans-85.89.4178.8-57.9-0.8000111.5I71 E98 L102 H103 V104 F130 L133 T183I71-F100 HydrophobicContact CG1-CD2 4.14Å; I71-F100 HydrophobicContact CG1-CE2 4.25Å; E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.21Å; E98-F100 VanDerWaalsContact OE2-CA 3.28Å; E98-F100 WeakPolarHBondContact OE2-CA 3.47Å; E98-F100 VanDerWaalsContact OE2-CB 3.23Å; E98-F100 WeakPolarHBondContact OE2-CB 3.42Å; E98-F100 PolarHBondContact OE2-N 2.82Å; F100-L102 PolarHBondContact O-N 3.2Å; F100-H103 WeakPolarHBondContact O-CB 3.4Å; F100-H103 PolarHBondContact O-N 3.06Å; F100-H103 VanDerWaalsContact O-N 3.14Å; F100-V104 PolarHBondContact O-N 2.9Å; F100-F130 HydrophobicContact CD2-CD1 4.03Å; F100-F130 AromaticContact CD2-CE1 3.86Å; F100-F130 HydrophobicContact CD2-CE1 3.86Å; F100-F130 HydrophobicContact CE2-CD1 4.3Å; F100-L133 HydrophobicContact CD1-CD2 4.12Å; F100-L133 HydrophobicContact CD2-CD2 4.24Å; F100-L133 HydrophobicContact CE1-CD1 3.88Å; F100-L133 HydrophobicContact CE1-CD2 4.14Å; F100-L133 HydrophobicContact CE2-CD2 4.24Å; F100-L133 HydrophobicContact CG-CD2 4.2Å; F100-L133 HydrophobicContact CZ-CD1 3.95Å; F100-L133 HydrophobicContact CZ-CD2 4.2Å; F100-T183 HydrophobicContact CD1-CG2 3.66Å; F100-T183 HydrophobicContact CE1-CG2 3.55Å
101G93.4Very high93.3Very high18 Ų1817 Ų1719%0.18610%0.096CC..Hα-helixtrans-54.2-56.6-17500000112.2E98 P99 H103 V104 V105E98-G101 PolarHBondContact O-N 3.13Å; E98-G101 WeakPolarHBondContact OE1-CA 3.47Å; E98-G101 PolarHBondContact OE1-N 2.92Å; P99-G101 PolarHBondContact O-N 3.48Å; G101-H103 VanDerWaalsContact C-N 3.3Å; G101-H103 PolarHBondContact O-N 3.07Å; G101-V104 PolarHBondContact O-N 3.01Å; G101-V105 WeakPolarHBondContact O-CB 3.3Å; G101-V105 WeakPolarHBondContact O-CG2 3.34Å; G101-V105 PolarHBondContact O-N 2.9Å
102L96.1Very high93.2Very high50 Ų5022.5 Ų22.526%0.26212%0.116SC..Hα-helixtrans-71.6-23.5-179.7-68.9-164.7000113.3F100 V104 M106 F107 T135 G178F100-L102 PolarHBondContact O-N 3.2Å; L102-V104 VanDerWaalsContact C-N 3.35Å; L102-M106 HydrophobicContact CD2-CB 4.4Å; L102-M106 HydrophobicContact CD2-CG 3.89Å; L102-M106 CarbonylContact O-C 3.57Å; L102-M106 WeakPolarHBondContact O-CA 3.37Å; L102-M106 WeakPolarHBondContact O-CB 3.43Å; L102-M106 PolarHBondContact O-N 3.32Å; L102-F107 PolarHBondContact O-N 3.38Å; L102-T135 WeakPolarHBondContact CD1-OG1 3.26Å; L102-G178 WeakPolarHBondContact CD1-O 3.31Å
103H97Very high92.9Very high3 Ų325.3 Ų25.31%0.01413%0.126CC..Iπ-helixtrans-60.5-48.7173.9-179.769.3000110.9F100 G101 F107 I108 A127 F130 V132 G134F100-H103 WeakPolarHBondContact O-CB 3.4Å; F100-H103 PolarHBondContact O-N 3.06Å; F100-H103 VanDerWaalsContact O-N 3.14Å; G101-H103 VanDerWaalsContact C-N 3.3Å; G101-H103 PolarHBondContact O-N 3.07Å; H103-F107 AromaticContact CE1-CD1 3.86Å; H103-F107 AromaticContact ND1-CD1 3.55Å; H103-F107 WeakPolarHBondContact O-CB 3.34Å; H103-F107 PolarHBondContact O-N 3.41Å; H103-I108 WeakPolarHBondContact NE2-CD1 3.35Å; H103-I108 PolarHBondContact O-N 3.31Å; H103-A127 PolarHBondContact CE1-O 2.92Å; H103-A127 PolarHBondContact NE2-O 3.04Å; H103-A127 VanDerWaalsContact NE2-O 3.1Å; H103-F130 AromaticContact CD2-CD1 3.72Å; H103-F130 AromaticContact CD2-CE1 3.28Å; H103-F130 WeakPolarHBondContact CD2-CE1 3.4Å; H103-F130 AromaticContact CD2-CZ 3.64Å; H103-F130 AromaticContact NE2-CD1 3.77Å; H103-F130 AromaticContact NE2-CE1 3.71Å; H103-F130 AromaticContact NE2-CZ 3.91Å; H103-V132 PolarHBondContact CE1-O 3.36Å; H103-G134 WeakPolarHBondContact CA-O 3.26Å; H103-G134 VanDerWaalsContact CB-O 3.24Å; H103-G134 WeakPolarHBondContact CB-O 3.44Å; H103-G134 PolarHBondContact N-O 3.19Å; H103-G134 PolarHBondContact ND1-N 3.27Å; H103-G134 VanDerWaalsContact ND1-N 3.1Å
104V92.5Very high92.9Very high44 Ų4424.4 Ų24.427%0.26712%0.122SC..Iπ-helixtrans-77.6-41.1-178.6-1790000112.3F100 G101 L102 P109 F130F100-V104 PolarHBondContact O-N 2.9Å; G101-V104 PolarHBondContact O-N 3.01Å; L102-V104 VanDerWaalsContact C-N 3.35Å; V104-P109 WeakPolarHBondContact O-CD 3.37Å; V104-P109 WeakPolarHBondContact O-CG 3.28Å; V104-F130 HydrophobicContact CG2-CE1 4.47Å; V104-F130 HydrophobicContact CG2-CZ 4.06Å
105V90.9Very high93.2Very high50 Ų5024.3 Ų24.330%0.30312%0.121SC..Iπ-helixtrans-87.8-27.4-170.5177.10000113.1G101 P109 V281G101-V105 WeakPolarHBondContact O-CB 3.3Å; G101-V105 WeakPolarHBondContact O-CG2 3.34Å; G101-V105 PolarHBondContact O-N 2.9Å; V105-P109 WeakPolarHBondContact O-CG 3.27Å; V105-V281 HydrophobicContact CG1-CG1 4.27Å; V105-V281 HydrophobicContact CG1-CG2 3.79Å
106M93.6Very high93.5Very high5 Ų525.2 Ų25.23%0.02513%0.125CC..Iπ-helixtrans-123.8-48.8-175.1-70.1-66.7-85.400113.6L102 S110 Y136 T277 V281L102-M106 HydrophobicContact CD2-CB 4.4Å; L102-M106 HydrophobicContact CD2-CG 3.89Å; L102-M106 CarbonylContact O-C 3.57Å; L102-M106 WeakPolarHBondContact O-CA 3.37Å; L102-M106 WeakPolarHBondContact O-CB 3.43Å; L102-M106 PolarHBondContact O-N 3.32Å; M106-S110 WeakPolarHBondContact O-CB 3.37Å; M106-S110 PolarHBondContact O-N 2.97Å; M106-S110 PolarHBondContact O-OG 3.12Å; M106-Y136 HydrophobicContact CB-CG 4.2Å; M106-Y136 HydrophobicContact CE-CD1 3.45Å; M106-Y136 VanDerWaalsContact CE-CD1 3.45Å; M106-Y136 HydrophobicContact CE-CD2 4.41Å; M106-Y136 HydrophobicContact CE-CE1 3.66Å; M106-Y136 HydrophobicContact CE-CG 3.86Å; M106-T277 HydrophobicContact CE-CG2 4.49Å; M106-T277 HydrophobicContact SD-CG2 3.72Å; M106-V281 HydrophobicContact CG-CG2 4.5Å; M106-V281 HydrophobicContact SD-CG2 3.47Å; M106-V281 WeakPolarHBondContact SD-CG2 3.16Å
107F96.5Very high93.8Very high1 Ų130.1 Ų30.10%0.00416%0.158CC..Iπ-helixtrans-66.1-59.1-173.6-174.2-101.9000111.8L102 H103 S110 L111 A127 V132 T135 H186 I188L102-F107 PolarHBondContact O-N 3.38Å; H103-F107 AromaticContact CE1-CD1 3.86Å; H103-F107 AromaticContact ND1-CD1 3.55Å; H103-F107 WeakPolarHBondContact O-CB 3.34Å; H103-F107 PolarHBondContact O-N 3.41Å; F107-S110 PolarHBondContact O-N 3.35Å; F107-L111 HydrophobicContact CD1-CD1 3.92Å; F107-L111 HydrophobicContact CE1-CD1 3.64Å; F107-L111 HydrophobicContact CE1-CG 4.46Å; F107-L111 HydrophobicContact CZ-CD1 4.2Å; F107-L111 WeakPolarHBondContact O-CG 3.41Å; F107-L111 PolarHBondContact O-N 2.76Å; F107-A127 HydrophobicContact CD1-CB 4.19Å; F107-A127 HydrophobicContact CE1-CB 3.85Å; F107-V132 HydrophobicContact CE1-CG1 4.03Å; F107-V132 HydrophobicContact CZ-CG1 3.98Å; F107-T135 WeakPolarHBondContact CD2-O 3.41Å; F107-H186 HydrophobicContact CE2-CB 4.39Å; F107-H186 HydrophobicContact CZ-CB 4.17Å; F107-I188 HydrophobicContact CD2-CB 4.45Å; F107-I188 HydrophobicContact CD2-CD1 3.66Å; F107-I188 HydrophobicContact CD2-CG1 3.66Å; F107-I188 HydrophobicContact CE2-CD1 4.06Å; F107-I188 HydrophobicContact CE2-CG1 3.71Å; F107-I188 HydrophobicContact CG-CD1 4.33Å
108I95.3Very high93.9Very high10 Ų1035.9 Ų35.95%0.05119%0.185CC..Hα-helixtrans-58.9-49.1178.6-70.6168.3000111.8H103 S110 L111 R112 A127H103-I108 WeakPolarHBondContact NE2-CD1 3.35Å; H103-I108 PolarHBondContact O-N 3.31Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 3.01Å; I108-L111 WeakPolarHBondContact O-CB 3.17Å; I108-L111 PolarHBondContact O-N 3.15Å; I108-R112 PolarHBondContact O-N 3.31Å; I108-A127 HydrophobicContact CG1-CB 3.94Å
109P92.1Very high94.1Very high17 Ų1735.9 Ų35.911%0.1119%0.185CC..Hα-helixtrans-60.9-36.3177.8-2939.2000113.4V104 V105 R112 R113 T277V104-P109 WeakPolarHBondContact O-CD 3.37Å; V104-P109 WeakPolarHBondContact O-CG 3.28Å; V105-P109 WeakPolarHBondContact O-CG 3.27Å; P109-R112 PolarHBondContact O-N 3.46Å; P109-R113 VanDerWaalsContact O-CB 3.31Å; P109-R113 WeakPolarHBondContact O-CB 3.24Å; P109-R113 VanDerWaalsContact O-CG 3.3Å; P109-R113 WeakPolarHBondContact O-CG 3.23Å; P109-R113 PolarHBondContact O-N 3.17Å; P109-T277 HydrophobicContact CB-CG2 4.14Å
110S93.3Very high94.2Very high0 Ų036.8 Ų36.80%019%0.193CC..Hα-helixtrans-67.3-40.5175.5-62.50000111.8M106 F107 I108 R113 L114 M253M106-S110 WeakPolarHBondContact O-CB 3.37Å; M106-S110 PolarHBondContact O-N 2.97Å; M106-S110 PolarHBondContact O-OG 3.12Å; F107-S110 PolarHBondContact O-N 3.35Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 3.01Å; S110-R113 PolarHBondContact O-N 3.45Å; S110-L114 VanDerWaalsContact O-CB 3.31Å; S110-L114 WeakPolarHBondContact O-CB 3.33Å; S110-L114 PolarHBondContact O-N 3.32Å; S110-M253 VanDerWaalsContact O-CE 3.27Å; S110-M253 WeakPolarHBondContact O-CE 2.96Å
111L95.3Very high94.3Very high1 Ų144.5 Ų44.51%0.00523%0.226CC..Hα-helixtrans-57.1-51.6172-67.4174000110.6F107 I108 R113 C115 W123 L124 A127 I188 I206 M253F107-L111 HydrophobicContact CD1-CD1 3.92Å; F107-L111 HydrophobicContact CE1-CD1 3.64Å; F107-L111 HydrophobicContact CE1-CG 4.46Å; F107-L111 HydrophobicContact CZ-CD1 4.2Å; F107-L111 WeakPolarHBondContact O-CG 3.41Å; F107-L111 PolarHBondContact O-N 2.76Å; I108-L111 WeakPolarHBondContact O-CB 3.17Å; I108-L111 PolarHBondContact O-N 3.15Å; L111-R113 PolarHBondContact O-N 3.37Å; L111-C115 WeakPolarHBondContact O-CB 3.48Å; L111-C115 PolarHBondContact O-N 2.84Å; L111-W123 HydrophobicContact CD1-CB 4.27Å; L111-W123 HydrophobicContact CD2-CB 3.92Å; L111-W123 HydrophobicContact CD2-CG 4.49Å; L111-L124 HydrophobicContact CB-CD2 3.49Å; L111-L124 VanDerWaalsContact CB-CD2 3.49Å; L111-L124 HydrophobicContact CB-CG 4.34Å; L111-L124 HydrophobicContact CD1-CD2 4.24Å; L111-A127 HydrophobicContact CD1-CB 3.59Å; L111-I188 HydrophobicContact CD2-CD1 4.4Å; L111-I188 HydrophobicContact CG-CD1 4.43Å; L111-I206 HydrophobicContact CD2-CD1 3.6Å; L111-I206 HydrophobicContact CD2-CG1 4.25Å; L111-M253 HydrophobicContact CD2-CE 3.93Å
112R92Very high94.4Very high136 Ų13648.7 Ų48.751%0.51324%0.239SC..Hα-helixtrans-60.4-33.9179.6-66.3-178.7-177139.44.8113.1I108 P109 L124 D128I108-R112 PolarHBondContact O-N 3.31Å; P109-R112 PolarHBondContact O-N 3.46Å; R112-L124 HydrophobicContact CG-CD1 4.11Å; R112-L124 HydrophobicContact CG-CD2 3.56Å; R112-D128 IonicContact CZ-OD1 3.02Å; R112-D128 IonicContact NH2-OD1 3.98Å; R112-D128 PolarHBondContact NH2-OD1 2.91Å; R112-D128 IonicContact NH2-OD2 2.78Å; R112-D128 PolarHBondContact NH2-OD2 2.94Å
113R88Confident94.5Very high66 Ų6647 Ų4725%0.24923%0.23CC..Hα-helixtrans-87.3-36.7-175.5-75.7-179.3171.8-114.8-26.3114.1P109 S110 L111 K255 Y256 G276 Y352P109-R113 VanDerWaalsContact O-CB 3.31Å; P109-R113 WeakPolarHBondContact O-CB 3.24Å; P109-R113 VanDerWaalsContact O-CG 3.3Å; P109-R113 WeakPolarHBondContact O-CG 3.23Å; P109-R113 PolarHBondContact O-N 3.17Å; S110-R113 PolarHBondContact O-N 3.45Å; L111-R113 PolarHBondContact O-N 3.37Å; R113-K255 WeakPolarHBondContact O-CD 3.4Å; R113-K255 PolarHBondContact O-NZ 2.92Å; R113-Y256 WeakPolarHBondContact O-CE2 3.38Å; R113-G276 VanDerWaalsContact NH1-C 3.3Å; R113-G276 PolarHBondContact NH1-O 2.88Å; R113-Y352 PolarHBondContact NH1-OH 2.93Å; R113-Y352 PolarHBondContact NH2-OH 3.41Å
114L91.1Very high94.5Very high12 Ų1248.4 Ų48.46%0.06324%0.237CC..Hα-helixtrans-112.6-17-167.3-55.7175.9000113.6S110 A204 M253 M254 K255 Y256S110-L114 VanDerWaalsContact O-CB 3.31Å; S110-L114 WeakPolarHBondContact O-CB 3.33Å; S110-L114 PolarHBondContact O-N 3.32Å; L114-A204 HydrophobicContact CD1-CB 4.3Å; L114-M253 HydrophobicContact CB-CB 3.86Å; L114-M253 HydrophobicContact CB-CE 3.69Å; L114-M253 HydrophobicContact CB-CG 4.49Å; L114-M253 HydrophobicContact CB-SD 3.9Å; L114-M253 HydrophobicContact CD1-SD 4.04Å; L114-M253 CarbonylContact O-C 3.38Å; L114-M254 PolarHBondContact O-N 2.78Å; L114-K255 WeakPolarHBondContact O-CB 3.42Å; L114-K255 PolarHBondContact O-N 2.66Å; L114-Y256 HydrophobicContact CD2-CD2 4.02Å; L114-Y256 HydrophobicContact CD2-CE2 4.05Å
115C94.8Very high94.7Very high6 Ų649.8 Ų49.84%0.04125%0.247CC..  trans-75.9140.7172.3-70.90000111.5L111 Q119 A120 M253L111-C115 WeakPolarHBondContact O-CB 3.48Å; L111-C115 PolarHBondContact O-N 2.84Å; C115-Q119 HydrophobicContact CB-CB 3.64Å; C115-A120 HydrophobicContact CB-CB 4.24Å; C115-M253 VanDerWaalsContact SG-CE 3.51Å
116D94.6Very high95Very high31 Ų3150 Ų5017%0.16625%0.246CC..  trans-71.1172.5163.372.940000111.2Q118 Q119 A120D116-Q118 VanDerWaalsContact C-N 3.31Å; D116-Q118 PolarHBondContact O-N 2.63Å; D116-Q118 WeakPolarHBondContact OD1-CA 3.44Å; D116-Q118 PolarHBondContact OD1-N 2.79Å; D116-Q119 PolarHBondContact O-N 2.77Å; D116-Q119 WeakPolarHBondContact OD1-CG 3.45Å; D116-Q119 PolarHBondContact OD1-N 3.37Å; D116-Q119 PolarHBondContact OD2-OE1 3.43Å; D116-A120 VanDerWaalsContact O-CB 3.23Å; D116-A120 WeakPolarHBondContact O-CB 3.49Å; D116-A120 PolarHBondContact O-N 3.38Å
117P96Very high95.2Very high114 Ų11449.7 Ų49.774%0.7425%0.245SC*.Hα-helixtrans-58.6-33.9-177.7-27.636.7000115.4K121P117-K121 WeakPolarHBondContact O-CB 3.3Å; P117-K121 PolarHBondContact O-N 3.24Å; P117-K121 VanDerWaalsContact O-N 3.1Å
118Q95.9Very high95.1Very high163 Ų16353 Ų5376%0.76226%0.262SS*.Hα-helixtrans-74-44-179.6-65.3-176.82.900110.6D116 A120 K121 K122D116-Q118 VanDerWaalsContact C-N 3.31Å; D116-Q118 PolarHBondContact O-N 2.63Å; D116-Q118 WeakPolarHBondContact OD1-CA 3.44Å; D116-Q118 PolarHBondContact OD1-N 2.79Å; Q118-A120 VanDerWaalsContact C-N 3.35Å; Q118-K121 PolarHBondContact O-N 3.26Å; Q118-K122 PolarHBondContact O-N 3.04Å
119Q97.4Very high95Very high10 Ų1053.9 Ų53.95%0.04727%0.269CS..Hα-helixtrans-62.2-43.7174.6-65.5179.8-46.400111.7C115 D116 K121 K122 W123 E250 M252C115-Q119 HydrophobicContact CB-CB 3.64Å; D116-Q119 PolarHBondContact O-N 2.77Å; D116-Q119 WeakPolarHBondContact OD1-CG 3.45Å; D116-Q119 PolarHBondContact OD1-N 3.37Å; D116-Q119 PolarHBondContact OD2-OE1 3.43Å; Q119-K121 VanDerWaalsContact C-N 3.32Å; Q119-K121 PolarHBondContact O-N 3.49Å; Q119-K122 PolarHBondContact O-N 2.95Å; Q119-K122 VanDerWaalsContact O-N 3.13Å; Q119-W123 VanDerWaalsContact O-CD1 3.28Å; Q119-W123 PolarHBondContact O-N 3.35Å; Q119-E250 PolarHBondContact NE2-O 2.97Å; Q119-M252 PolarHBondContact NE2-O 3.28Å
120A96.5Very high95.1Very high22 Ų2255 Ų5518%0.18227%0.273CS..Hα-helixtrans-58.9-44.517700000111.1C115 D116 Q118 K122 L124 P125C115-A120 HydrophobicContact CB-CB 4.24Å; D116-A120 VanDerWaalsContact O-CB 3.23Å; D116-A120 WeakPolarHBondContact O-CB 3.49Å; D116-A120 PolarHBondContact O-N 3.38Å; Q118-A120 VanDerWaalsContact C-N 3.35Å; A120-K122 VanDerWaalsContact C-N 3.25Å; A120-K122 PolarHBondContact O-N 2.99Å; A120-L124 HydrophobicContact CB-CD1 3.76Å; A120-L124 HydrophobicContact CB-CG 4.36Å; A120-L124 VanDerWaalsContact O-CB 3.27Å; A120-L124 WeakPolarHBondContact O-CB 3.43Å; A120-L124 PolarHBondContact O-N 2.79Å; A120-P125 WeakPolarHBondContact O-CD 3.49Å
121K97.3Very high95.2Very high175 Ų17561.1 Ų61.176%0.76130%0.301SS*.Hα-helixtrans-61.4-31.2176.7-172177.3179.1-1790113.2P117 Q118 Q119 P125P117-K121 WeakPolarHBondContact O-CB 3.3Å; P117-K121 PolarHBondContact O-N 3.24Å; P117-K121 VanDerWaalsContact O-N 3.1Å; Q118-K121 PolarHBondContact O-N 3.26Å; Q119-K121 VanDerWaalsContact C-N 3.32Å; Q119-K121 PolarHBondContact O-N 3.49Å; K121-P125 WeakPolarHBondContact O-CD 3.44Å; K121-P125 WeakPolarHBondContact O-CG 3.31Å
122K96.9Very high95.3Very high106 Ų10661.2 Ų61.246%0.46130%0.302SS..Hα-helixtrans-79.4-52.8176.5179.9179.3176.1-178.30112.3Q118 Q119 A120 L126Q118-K122 PolarHBondContact O-N 3.04Å; Q119-K122 PolarHBondContact O-N 2.95Å; Q119-K122 VanDerWaalsContact O-N 3.13Å; A120-K122 VanDerWaalsContact C-N 3.25Å; A120-K122 PolarHBondContact O-N 2.99Å; K122-L126 WeakPolarHBondContact O-CD1 3.3Å
123W97.9Very high95.5Very high16 Ų1656.1 Ų56.16%0.06129%0.285CS..Hα-helixtrans-92.9-34.5-164.5-65.2114000114.5L111 Q119 L126 A127 H186 I206L111-W123 HydrophobicContact CD1-CB 4.27Å; L111-W123 HydrophobicContact CD2-CB 3.92Å; L111-W123 HydrophobicContact CD2-CG 4.49Å; Q119-W123 VanDerWaalsContact O-CD1 3.28Å; Q119-W123 PolarHBondContact O-N 3.35Å; W123-L126 HydrophobicContact CE3-CD1 4.27Å; W123-L126 PolarHBondContact O-N 2.97Å; W123-A127 WeakPolarHBondContact O-CB 3.33Å; W123-A127 PolarHBondContact O-N 3.03Å; W123-H186 AromaticContact CZ3-CD2 3.9Å; W123-H186 AromaticContact CZ3-NE2 3.82Å; W123-I206 HydrophobicContact CB-CD1 4.47Å; W123-I206 VanDerWaalsContact CD1-CD1 3.41Å; W123-I206 HydrophobicContact CD2-CD1 4.02Å; W123-I206 HydrophobicContact CD2-CG2 4.19Å; W123-I206 HydrophobicContact CE3-CG2 4.22Å; W123-I206 HydrophobicContact CG-CD1 3.75Å; W123-I206 HydrophobicContact CH2-CG2 3.96Å; W123-I206 HydrophobicContact CZ2-CB 4.47Å; W123-I206 HydrophobicContact CZ2-CG2 3.92Å; W123-I206 HydrophobicContact CZ3-CG2 4.12Å
124L96.9Very high96Very high31 Ų3153 Ų5316%0.16227%0.273CS..Hα-helixtrans-63-45.2-178-70173.5000112.7L111 R112 A120 L126 A127 D128L111-L124 HydrophobicContact CB-CD2 3.49Å; L111-L124 VanDerWaalsContact CB-CD2 3.49Å; L111-L124 HydrophobicContact CB-CG 4.34Å; L111-L124 HydrophobicContact CD1-CD2 4.24Å; R112-L124 HydrophobicContact CG-CD1 4.11Å; R112-L124 HydrophobicContact CG-CD2 3.56Å; A120-L124 HydrophobicContact CB-CD1 3.76Å; A120-L124 HydrophobicContact CB-CG 4.36Å; A120-L124 VanDerWaalsContact O-CB 3.27Å; A120-L124 WeakPolarHBondContact O-CB 3.43Å; A120-L124 PolarHBondContact O-N 2.79Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 PolarHBondContact O-N 2.82Å; L124-A127 PolarHBondContact O-N 3.05Å; L124-D128 WeakPolarHBondContact O-CB 3.32Å; L124-D128 PolarHBondContact O-N 3.05Å
125P97.1Very high96.4Very high74 Ų7452.4 Ų52.448%0.48127%0.27SS..Hα-helixtrans-60.3-36.6178.4-25.135.9000112.8A120 K121 S129A120-P125 WeakPolarHBondContact O-CD 3.49Å; K121-P125 WeakPolarHBondContact O-CD 3.44Å; K121-P125 WeakPolarHBondContact O-CG 3.31Å; P125-S129 WeakPolarHBondContact O-CB 3.47Å; P125-S129 PolarHBondContact O-N 3.39Å; P125-S129 PolarHBondContact O-OG 3.5Å
126L97.4Very high96.5Very high53 Ų5353 Ų5328%0.27727%0.271SS..Hα-helixtrans-70-39.4178.3-61.3176.5000112.1K122 W123 L124 S129 F130 Q131 V132K122-L126 WeakPolarHBondContact O-CD1 3.3Å; W123-L126 HydrophobicContact CE3-CD1 4.27Å; W123-L126 PolarHBondContact O-N 2.97Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 PolarHBondContact O-N 2.82Å; L126-S129 PolarHBondContact O-OG 2.75Å; L126-F130 PolarHBondContact O-N 3.35Å; L126-Q131 PolarHBondContact O-N 2.8Å; L126-Q131 VanDerWaalsContact O-N 3.1Å; L126-V132 HydrophobicContact CB-CB 4.13Å; L126-V132 HydrophobicContact CB-CG2 3.84Å; L126-V132 HydrophobicContact CD1-CG2 4.31Å; L126-V132 PolarHBondContact O-N 2.94Å
127A97.1Very high96.7Very high0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-72.8-49.6177.800000111.8H103 F107 I108 L111 W123 L124 S129 F130H103-A127 PolarHBondContact CE1-O 2.92Å; H103-A127 PolarHBondContact NE2-O 3.04Å; H103-A127 VanDerWaalsContact NE2-O 3.1Å; F107-A127 HydrophobicContact CD1-CB 4.19Å; F107-A127 HydrophobicContact CE1-CB 3.85Å; I108-A127 HydrophobicContact CG1-CB 3.94Å; L111-A127 HydrophobicContact CD1-CB 3.59Å; W123-A127 WeakPolarHBondContact O-CB 3.33Å; W123-A127 PolarHBondContact O-N 3.03Å; L124-A127 PolarHBondContact O-N 3.05Å; A127-S129 PolarHBondContact O-N 2.94Å; A127-F130 WeakPolarHBondContact O-CA 3.38Å; A127-F130 PolarHBondContact O-N 3.18Å
128D94.1Very high96.8Very high69 Ų6947.3 Ų47.337%0.36923%0.234SC..Hα-helixtrans-64.5-28.6179.7-72.3-29.9000111.7R112 L124 F130R112-D128 IonicContact CZ-OD1 3.02Å; R112-D128 IonicContact NH2-OD1 3.98Å; R112-D128 PolarHBondContact NH2-OD1 2.91Å; R112-D128 IonicContact NH2-OD2 2.78Å; R112-D128 PolarHBondContact NH2-OD2 2.94Å; L124-D128 WeakPolarHBondContact O-CB 3.32Å; L124-D128 PolarHBondContact O-N 3.05Å; D128-F130 VanDerWaalsContact C-N 3.31Å; D128-F130 WeakPolarHBondContact O-CD2 3.17Å
129S93Very high96.9Very high29 Ų2941.4 Ų41.420%0.20321%0.209CC..THydrogen-bonded Turntrans-84.42.1171.967.30000114.3R75 P125 L126 A127 Q131R75-S129 PolarHBondContact NH2-O 3.3Å; P125-S129 WeakPolarHBondContact O-CB 3.47Å; P125-S129 PolarHBondContact O-N 3.39Å; P125-S129 PolarHBondContact O-OG 3.5Å; L126-S129 PolarHBondContact O-OG 2.75Å; A127-S129 PolarHBondContact O-N 2.94Å; S129-Q131 PolarHBondContact O-N 3.46Å; S129-Q131 WeakPolarHBondContact OG-CG 3.41Å; S129-Q131 PolarHBondContact OG-NE2 3.37Å
130F94.8Very high96.9Very high42 Ų4241 Ų4118%0.18421%0.207CC..THydrogen-bonded Turntrans54.415.9-178.4-70.5-110.2000113.8I71 F100 H103 V104 L126 A127 D128 V132 L133I71-F130 HydrophobicContact CD1-CD1 4.17Å; I71-F130 HydrophobicContact CD1-CD2 4.41Å; I71-F130 HydrophobicContact CD1-CE1 3.46Å; I71-F130 VanDerWaalsContact CD1-CE1 3.46Å; I71-F130 HydrophobicContact CD1-CE2 3.75Å; I71-F130 HydrophobicContact CD1-CZ 3.22Å; I71-F130 HydrophobicContact CG1-CD1 3.77Å; I71-F130 HydrophobicContact CG1-CD2 4.36Å; I71-F130 HydrophobicContact CG1-CE1 3.56Å; I71-F130 HydrophobicContact CG1-CE2 4.18Å; I71-F130 HydrophobicContact CG1-CG 4.18Å; I71-F130 HydrophobicContact CG1-CZ 3.79Å; I71-F130 HydrophobicContact CG2-CB 4.28Å; I71-F130 HydrophobicContact CG2-CD1 4.27Å; I71-F130 HydrophobicContact CG2-CD2 3.63Å; I71-F130 HydrophobicContact CG2-CE2 3.97Å; I71-F130 HydrophobicContact CG2-CG 3.81Å; I71-F130 HydrophobicContact CG2-CZ 4.44Å; F100-F130 HydrophobicContact CD2-CD1 4.03Å; F100-F130 AromaticContact CD2-CE1 3.86Å; F100-F130 HydrophobicContact CD2-CE1 3.86Å; F100-F130 HydrophobicContact CE2-CD1 4.3Å; H103-F130 AromaticContact CD2-CD1 3.72Å; H103-F130 AromaticContact CD2-CE1 3.28Å; H103-F130 WeakPolarHBondContact CD2-CE1 3.4Å; H103-F130 AromaticContact CD2-CZ 3.64Å; H103-F130 AromaticContact NE2-CD1 3.77Å; H103-F130 AromaticContact NE2-CE1 3.71Å; H103-F130 AromaticContact NE2-CZ 3.91Å; V104-F130 HydrophobicContact CG2-CE1 4.47Å; V104-F130 HydrophobicContact CG2-CZ 4.06Å; L126-F130 PolarHBondContact O-N 3.35Å; A127-F130 WeakPolarHBondContact O-CA 3.38Å; A127-F130 PolarHBondContact O-N 3.18Å; D128-F130 VanDerWaalsContact C-N 3.31Å; D128-F130 WeakPolarHBondContact O-CD2 3.17Å; F130-V132 VanDerWaalsContact C-N 3.27Å; F130-L133 HydrophobicContact CD1-CD2 3.67Å; F130-L133 HydrophobicContact CE1-CD2 4.41Å
131Q94.4Very high97Very high127 Ų12744.2 Ų44.259%0.59322%0.219SC*.SBendtrans-66-39.9169.5-69.4178.633.400109.2L126 S129 M212L126-Q131 PolarHBondContact O-N 2.8Å; L126-Q131 VanDerWaalsContact O-N 3.1Å; S129-Q131 PolarHBondContact O-N 3.46Å; S129-Q131 WeakPolarHBondContact OG-CG 3.41Å; S129-Q131 PolarHBondContact OG-NE2 3.37Å; Q131-M212 WeakPolarHBondContact O-CE 3.47Å
132V97.4Very high97.1Very high4 Ų438 Ų382%0.02421%0.205CC..SBendtrans-99.6119.8167.41670000109H103 F107 L126 F130 H186 M212H103-V132 PolarHBondContact CE1-O 3.36Å; F107-V132 HydrophobicContact CE1-CG1 4.03Å; F107-V132 HydrophobicContact CZ-CG1 3.98Å; L126-V132 HydrophobicContact CB-CB 4.13Å; L126-V132 HydrophobicContact CB-CG2 3.84Å; L126-V132 HydrophobicContact CD1-CG2 4.31Å; L126-V132 PolarHBondContact O-N 2.94Å; F130-V132 VanDerWaalsContact C-N 3.27Å; V132-H186 HydrophobicContact CG1-CB 3.68Å; V132-H186 WeakPolarHBondContact CG1-ND1 3.37Å; V132-M212 HydrophobicContact CG2-CE 3.95Å
133L97.9Very high97.1Very high29 Ų2935.2 Ų35.215%0.15219%0.193CC..  trans-98.6120.1170.1-78.7172.8000108.9F100 F130 T183 S184 N185 H186F100-L133 HydrophobicContact CD1-CD2 4.12Å; F100-L133 HydrophobicContact CD2-CD2 4.24Å; F100-L133 HydrophobicContact CE1-CD1 3.88Å; F100-L133 HydrophobicContact CE1-CD2 4.14Å; F100-L133 HydrophobicContact CE2-CD2 4.24Å; F100-L133 HydrophobicContact CG-CD2 4.2Å; F100-L133 HydrophobicContact CZ-CD1 3.95Å; F100-L133 HydrophobicContact CZ-CD2 4.2Å; F130-L133 HydrophobicContact CD1-CD2 3.67Å; F130-L133 HydrophobicContact CE1-CD2 4.41Å; L133-T183 HydrophobicContact CD1-CG2 4.48Å; L133-S184 CarbonylContact O-C 3.39Å; L133-S184 WeakPolarHBondContact O-CA 3.44Å; L133-S184 WeakPolarHBondContact O-CB 3.36Å; L133-N185 PolarHBondContact N-OD1 2.97Å; L133-N185 PolarHBondContact O-N 3.38Å; L133-N185 PolarHBondContact O-OD1 3.32Å; L133-N185 VanDerWaalsContact O-OD1 3.05Å; L133-H186 PolarHBondContact O-N 3.48Å
134G98.4Very high97Very high0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-122.5150-16800000113.8H103 H186H103-G134 WeakPolarHBondContact CA-O 3.26Å; H103-G134 VanDerWaalsContact CB-O 3.24Å; H103-G134 WeakPolarHBondContact CB-O 3.44Å; H103-G134 PolarHBondContact N-O 3.19Å; H103-G134 PolarHBondContact ND1-N 3.27Å; H103-G134 VanDerWaalsContact ND1-N 3.1Å; G134-H186 VanDerWaalsContact CA-O 3.28Å; G134-H186 WeakPolarHBondContact CA-O 3.49Å
135T98.6Very high96.8Very high0 Ų038.6 Ų38.60%022%0.224CC..EExtended strand (participates in β ladder)trans-130.7175.2172-171.50000111.8L102 F107 G178 L180 S184 H186 A187 I188L102-T135 WeakPolarHBondContact CD1-OG1 3.26Å; F107-T135 WeakPolarHBondContact CD2-O 3.41Å; T135-G178 WeakPolarHBondContact CB-O 3.23Å; T135-G178 PolarHBondContact OG1-O 2.88Å; T135-L180 HydrophobicContact CG2-CB 3.91Å; T135-L180 HydrophobicContact CG2-CD1 3.85Å; T135-L180 HydrophobicContact CG2-CG 4.46Å; T135-S184 WeakPolarHBondContact CB-OG 3.05Å; T135-H186 PolarHBondContact N-O 3.48Å; T135-A187 HydrophobicContact CG2-CB 3.9Å; T135-A187 WeakPolarHBondContact O-CA 3.49Å; T135-I188 PolarHBondContact O-N 2.77Å
136Y97.8Very high96.6Very high19 Ų1939.6 Ų39.68%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-116.8103.5-179-170.8-98.5000111.2M106 Q138 P177 I188M106-Y136 HydrophobicContact CB-CG 4.2Å; M106-Y136 HydrophobicContact CE-CD1 3.45Å; M106-Y136 VanDerWaalsContact CE-CD1 3.45Å; M106-Y136 HydrophobicContact CE-CD2 4.41Å; M106-Y136 HydrophobicContact CE-CE1 3.66Å; M106-Y136 HydrophobicContact CE-CG 3.86Å; Y136-Q138 HydrophobicContact CD1-CB 3.99Å; Y136-Q138 HydrophobicContact CE1-CB 3.52Å; Y136-Q138 HydrophobicContact CE1-CG 4.34Å; Y136-Q138 PolarHBondContact O-N 3.29Å; Y136-Q138 PolarHBondContact OH-OE1 2.75Å; Y136-P177 WeakPolarHBondContact O-CB 3.46Å; Y136-I188 HydrophobicContact CD2-CB 4.01Å; Y136-I188 HydrophobicContact CD2-CG2 3.85Å; Y136-I188 HydrophobicContact CE2-CB 4.49Å; Y136-I188 HydrophobicContact CE2-CG2 3.82Å
137A98.3Very high96.3Very high0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-10081.8-174.300000112.2K174 P177 A187 I188 V189 L190A137-K174 HydrophobicContact CB-CB 4.39Å; A137-K174 HydrophobicContact CB-CG 4.15Å; A137-K174 WeakPolarHBondContact O-CE 3.5Å; A137-P177 HydrophobicContact CB-CG 4.01Å; A137-A187 HydrophobicContact CB-CB 4.31Å; A137-I188 PolarHBondContact N-O 3.49Å; A137-V189 HydrophobicContact CB-CG2 4.21Å; A137-V189 WeakPolarHBondContact O-CA 3.35Å; A137-L190 PolarHBondContact O-N 2.84Å
138Q97.1Very high96.1Very high25 Ų2547.6 Ų47.612%0.11725%0.251CS..  trans-98.8-62.6176.9175.1175.7-7800112.1Y136 L147 L150 K174 L190Y136-Q138 HydrophobicContact CD1-CB 3.99Å; Y136-Q138 HydrophobicContact CE1-CB 3.52Å; Y136-Q138 HydrophobicContact CE1-CG 4.34Å; Y136-Q138 PolarHBondContact O-N 3.29Å; Y136-Q138 PolarHBondContact OH-OE1 2.75Å; Q138-L147 HydrophobicContact CG-CD2 3.83Å; Q138-L150 HydrophobicContact CG-CD1 4.36Å; Q138-L150 WeakPolarHBondContact O-CD2 3.44Å; Q138-K174 PolarHBondContact O-NZ 2.93Å; Q138-L190 HydrophobicContact CB-CB 4.3Å; Q138-L190 HydrophobicContact CB-CD2 4.49Å; Q138-L190 HydrophobicContact CG-CB 4.36Å; Q138-L190 HydrophobicContact CG-CD2 3.77Å
139T98Very high96.2Very high38 Ų3845.2 Ų45.223%0.23324%0.243CC..  trans-60.6140.2-173.7-56.50000111.8K174 W175T139-K174 CarbonylContact O-C 3.49Å; T139-K174 VanDerWaalsContact O-CA 3.26Å; T139-K174 WeakPolarHBondContact O-CA 3.01Å; T139-K174 WeakPolarHBondContact O-CD 3.46Å; T139-W175 WeakPolarHBondContact CB-O 3.27Å; T139-W175 WeakPolarHBondContact CG2-O 3.26Å; T139-W175 PolarHBondContact O-N 3.35Å
140E98.8Very high96.4Very high3 Ų344 Ų441%0.01423%0.234CC..BIsolated β-bridgetrans-114.3161.8173.5-73.1172-170.300110.3G142 H143 L150 E151 T152 S171 S172 I173 K174E140-G142 PolarHBondContact O-N 3.39Å; E140-H143 HydrophobicContact CB-CB 4.4Å; E140-H143 PolarHBondContact N-O 2.87Å; E140-H143 CarbonylContact O-C 3.47Å; E140-H143 PolarHBondContact O-N 2.64Å; E140-H143 VanDerWaalsContact O-N 3.11Å; E140-L150 HydrophobicContact CB-CD2 3.85Å; E140-L150 HydrophobicContact CG-CD2 3.54Å; E140-L150 WeakPolarHBondContact OE2-CA 3.41Å; E140-E151 PolarHBondContact OE1-N 3.49Å; E140-E151 PolarHBondContact OE2-N 2.88Å; E140-T152 WeakPolarHBondContact OE1-CB 3.26Å; E140-T152 PolarHBondContact OE1-N 3.29Å; E140-T152 PolarHBondContact OE1-OG1 3.3Å; E140-S171 WeakPolarHBondContact CB-O 3.49Å; E140-S172 WeakPolarHBondContact CG-O 3.2Å; E140-I173 CarbonylContact C-O 3.46Å; E140-I173 VanDerWaalsContact CA-O 3.31Å; E140-I173 WeakPolarHBondContact CA-O 3.37Å; E140-K174 HydrophobicContact CG-CD 3.72Å; E140-K174 IonicContact OE1-NZ 3.84Å; E140-K174 PolarHBondContact OE1-NZ 3.26Å
141M98.6Very high96.6Very high89 Ų8944.2 Ų44.244%0.43824%0.235SC..SBendtrans-55-39.7177.1-175-176.6-65.100112V170 S171 I173 W175M141-V170 HydrophobicContact CE-CG1 4.25Å; M141-V170 HydrophobicContact SD-CG1 3.92Å; M141-S171 PolarHBondContact N-O 3.34Å; M141-I173 PolarHBondContact N-O 3.08Å; M141-W175 HydrophobicContact CB-CB 4.33Å; M141-W175 HydrophobicContact CE-CD2 4.21Å; M141-W175 HydrophobicContact CE-CE3 3.42Å; M141-W175 VanDerWaalsContact CE-CE3 3.42Å; M141-W175 HydrophobicContact CE-CH2 4.19Å; M141-W175 HydrophobicContact CE-CZ3 3.42Å; M141-W175 VanDerWaalsContact CE-CZ3 3.42Å
142G98.1Very high96.8Very high44 Ų4438.1 Ų38.145%0.45421%0.207SC..SBendtrans-85.6-18177.400000115.2E140 S171E140-G142 PolarHBondContact O-N 3.39Å; G142-S171 PolarHBondContact N-O 3.41Å
143H98Very high96.9Very high47 Ų4739.3 Ų39.322%0.21821%0.214CC..  trans-145.1109-165.9-62.9101.6000112.8E140 G149 L150 E151E140-H143 HydrophobicContact CB-CB 4.4Å; E140-H143 PolarHBondContact N-O 2.87Å; E140-H143 CarbonylContact O-C 3.47Å; E140-H143 PolarHBondContact O-N 2.64Å; E140-H143 VanDerWaalsContact O-N 3.11Å; H143-G149 PolarHBondContact CE1-O 3.02Å; H143-G149 PolarHBondContact ND1-O 3.27Å; H143-G149 PolarHBondContact NE2-O 3.41Å; H143-L150 HydrophobicContact CB-CD2 3.81Å; H143-L150 HydrophobicContact CB-CG 4.45Å; H143-E151 IonicContact CE1-OE1 2.72Å; H143-E151 PolarHBondContact CE1-OE1 3.14Å; H143-E151 IonicContact ND1-OE1 2.65Å; H143-E151 PolarHBondContact ND1-OE1 2.96Å
144G95.2Very high96.9Very high37 Ų3738 Ų3838%0.38121%0.207SC..SBendtrans-110.7-56.7167.100000112.6L147G144-L147 VanDerWaalsContact O-CD2 3.26Å; G144-L147 WeakPolarHBondContact O-CD2 3.36Å
145T93Very high97Very high81 Ų8141 Ų4150%0.49723%0.226SC..SBendtrans-77.4-45.6-176.4-57.70000112.8L147 V426T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 2.69Å; T145-V426 HydrophobicContact CG2-CB 3.99Å; T145-V426 HydrophobicContact CG2-CG1 3.66Å; T145-V426 HydrophobicContact CG2-CG2 3.6Å
146H93.6Very high97Very high96 Ų9641.5 Ų41.544%0.44423%0.228SC..  trans-85.773.2-177.1-173.4-121.7000111.3R148 G149H146-R148 VanDerWaalsContact C-N 3.25Å; H146-R148 PolarHBondContact NE2-NH2 3.4Å; H146-R148 PolarHBondContact O-N 3.15Å; H146-G149 PolarHBondContact O-N 2.96Å
147L91.3Very high97Very high25 Ų2542.4 Ų42.413%0.13123%0.234CC..G310 helixtrans-55.1-38-174.7-61.6-178000113.4Q138 G144 T145 G149 L150 L202 Y275Q138-L147 HydrophobicContact CG-CD2 3.83Å; G144-L147 VanDerWaalsContact O-CD2 3.26Å; G144-L147 WeakPolarHBondContact O-CD2 3.36Å; T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 2.69Å; L147-G149 PolarHBondContact O-N 2.88Å; L147-L150 HydrophobicContact CD2-CD1 4.23Å; L147-L150 WeakPolarHBondContact O-CB 3.48Å; L147-L150 WeakPolarHBondContact O-CG 3.28Å; L147-L150 PolarHBondContact O-N 3.08Å; L147-L202 HydrophobicContact CB-CD1 3.73Å; L147-L202 WeakPolarHBondContact O-CD1 3.41Å; L147-Y275 HydrophobicContact CD1-CE1 4.12Å
148R91.8Very high96.9Very high195 Ų19545.4 Ų45.474%0.73625%0.253SS*.G310 helixtrans-59-21.3178-62.1-179.4-58.5177.14.2113.4H146 Q192H146-R148 VanDerWaalsContact C-N 3.25Å; H146-R148 PolarHBondContact NE2-NH2 3.4Å; H146-R148 PolarHBondContact O-N 3.15Å; R148-Q192 PolarHBondContact O-NE2 3.35Å
149G96.3Very high96.9Very high20 Ų2048.7 Ų48.721%0.20629%0.285CS..G310 helixtrans-87.1-3.1176.900000114.8H143 H146 L147 E151H143-G149 PolarHBondContact CE1-O 3.02Å; H143-G149 PolarHBondContact ND1-O 3.27Å; H143-G149 PolarHBondContact NE2-O 3.41Å; H146-G149 PolarHBondContact O-N 2.96Å; L147-G149 PolarHBondContact O-N 2.88Å; G149-E151 PolarHBondContact O-N 3.04Å
150L98.1Very high96.9Very high3 Ų350.2 Ų50.22%0.01629%0.294CS..  trans-53.1139175.9-69.4169.7000110.4Q138 E140 H143 L147 L190 Q192 L202Q138-L150 HydrophobicContact CG-CD1 4.36Å; Q138-L150 WeakPolarHBondContact O-CD2 3.44Å; E140-L150 HydrophobicContact CB-CD2 3.85Å; E140-L150 HydrophobicContact CG-CD2 3.54Å; E140-L150 WeakPolarHBondContact OE2-CA 3.41Å; H143-L150 HydrophobicContact CB-CD2 3.81Å; H143-L150 HydrophobicContact CB-CG 4.45Å; L147-L150 HydrophobicContact CD2-CD1 4.23Å; L147-L150 WeakPolarHBondContact O-CB 3.48Å; L147-L150 WeakPolarHBondContact O-CG 3.28Å; L147-L150 PolarHBondContact O-N 3.08Å; L150-L190 HydrophobicContact CD1-CD2 4.09Å; L150-Q192 WeakPolarHBondContact O-CG 3.48Å; L150-Q192 PolarHBondContact O-NE2 3.33Å; L150-L202 HydrophobicContact CB-CD2 3.97Å; L150-L202 HydrophobicContact CD1-CD1 4.01Å; L150-L202 HydrophobicContact CD1-CD2 3.72Å; L150-L202 HydrophobicContact CG-CD2 4.4Å
151E98.7Very high96.8Very high46 Ų4654.3 Ų54.322%0.21531%0.314CS..  trans-105.1-20.9-167.4-63.9174-108.300112.3E140 H143 G149 T153 P168 T169 S171 S172E140-E151 PolarHBondContact OE1-N 3.49Å; E140-E151 PolarHBondContact OE2-N 2.88Å; H143-E151 IonicContact CE1-OE1 2.72Å; H143-E151 PolarHBondContact CE1-OE1 3.14Å; H143-E151 IonicContact ND1-OE1 2.65Å; H143-E151 PolarHBondContact ND1-OE1 2.96Å; G149-E151 PolarHBondContact O-N 3.04Å; E151-T153 WeakPolarHBondContact O-CG2 3.35Å; E151-T153 PolarHBondContact O-N 3.34Å; E151-P168 HydrophobicContact CB-CG 4.38Å; E151-P168 WeakPolarHBondContact O-CD 3.38Å; E151-P168 WeakPolarHBondContact O-CG 3.47Å; E151-T169 PolarHBondContact OE2-OG1 2.93Å; E151-S171 VanDerWaalsContact CD-OG 3.24Å; E151-S171 WeakPolarHBondContact OE1-CB 3.26Å; E151-S171 PolarHBondContact OE1-OG 3.41Å; E151-S171 PolarHBondContact OE2-OG 2.84Å; E151-S172 VanDerWaalsContact CB-CB 3.42Å
152T98.8Very high96.8Very high0 Ų052.6 Ų52.60%030%0.304CS..  trans-57.1130.6174.7-56.30000109.3E140 S172 K174 V189 A191 Q192 L242E140-T152 WeakPolarHBondContact OE1-CB 3.26Å; E140-T152 PolarHBondContact OE1-N 3.29Å; E140-T152 PolarHBondContact OE1-OG1 3.3Å; T152-S172 PolarHBondContact OG1-O 3.18Å; T152-K174 VanDerWaalsContact OG1-CE 3.27Å; T152-K174 WeakPolarHBondContact OG1-CE 3.38Å; T152-K174 PolarHBondContact OG1-NZ 3.19Å; T152-V189 HydrophobicContact CG2-CG1 4.23Å; T152-A191 HydrophobicContact CG2-CB 3.81Å; T152-A191 CarbonylContact O-C 3.46Å; T152-A191 WeakPolarHBondContact O-CA 3.44Å; T152-A191 WeakPolarHBondContact O-CB 3.45Å; T152-Q192 PolarHBondContact O-N 2.89Å; T152-L242 HydrophobicContact CG2-CD1 4.3Å
153T98.8Very high96.9Very high29 Ų2950.5 Ų50.518%0.17828%0.283CS..EExtended strand (participates in β ladder)trans-110.5150.3-17858.10000110.9E151 L165 N166 Y194E151-T153 WeakPolarHBondContact O-CG2 3.35Å; E151-T153 PolarHBondContact O-N 3.34Å; T153-L165 VanDerWaalsContact O-CA 3.26Å; T153-L165 WeakPolarHBondContact O-CA 3.46Å; T153-N166 PolarHBondContact N-O 3.29Å; T153-N166 PolarHBondContact O-N 3.18Å; T153-N166 PolarHBondContact OG1-O 3.37Å; T153-Y194 HydrophobicContact CG2-CD2 4.36Å; T153-Y194 HydrophobicContact CG2-CE2 3.76Å
154A98.8Very high96.9Very high0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans-132.297.6168.800000108.1V164 L165 A191 Q192 Y194 F205A154-V164 WeakPolarHBondContact CA-O 3.47Å; A154-L165 HydrophobicContact CB-CG 4.08Å; A154-A191 HydrophobicContact CB-CB 3.94Å; A154-Q192 PolarHBondContact N-O 2.9Å; A154-Y194 PolarHBondContact O-N 3.07Å; A154-F205 HydrophobicContact CB-CD1 4.37Å; A154-F205 HydrophobicContact CB-CD2 4.05Å; A154-F205 HydrophobicContact CB-CE1 3.83Å; A154-F205 HydrophobicContact CB-CE2 3.48Å; A154-F205 VanDerWaalsContact CB-CE2 3.48Å; A154-F205 HydrophobicContact CB-CG 4.47Å; A154-F205 HydrophobicContact CB-CZ 3.36Å
155T98.8Very high97.1Very high63 Ų6347.6 Ų47.639%0.38726%0.261SS..EExtended strand (participates in β ladder)trans-97123.2-176.2-58.80000110.2F163 V164T155-F163 WeakPolarHBondContact O-CA 3.45Å; T155-V164 PolarHBondContact N-O 3.35Å; T155-V164 PolarHBondContact O-N 3.36Å
156Y98.8Very high97.4Very high12 Ų1245.5 Ų45.55%0.04725%0.247CC..EExtended strand (participates in β ladder)trans-74.1132.4178.5-170.9-118.8000111.4P158 E162 F163 Y194 R249 V259 P261 G263Y156-P158 HydrophobicContact CD1-CG 3.97Å; Y156-P158 HydrophobicContact CE1-CB 4.13Å; Y156-P158 HydrophobicContact CE1-CG 3.97Å; Y156-E162 WeakPolarHBondContact CD2-O 3.48Å; Y156-F163 AromaticContact CD2-CD1 3.97Å; Y156-F163 HydrophobicContact CD2-CD1 3.97Å; Y156-F163 HydrophobicContact CD2-CD2 4.44Å; Y156-F163 AromaticContact CD2-CE1 3.65Å; Y156-F163 HydrophobicContact CD2-CE1 3.65Å; Y156-F163 HydrophobicContact CD2-CE2 4.15Å; Y156-F163 HydrophobicContact CD2-CG 4.36Å; Y156-F163 AromaticContact CD2-CZ 3.74Å; Y156-F163 HydrophobicContact CD2-CZ 3.74Å; Y156-F163 HydrophobicContact CE2-CZ 4.46Å; Y156-F163 HydrophobicContact CG-CD1 4.44Å; Y156-F163 AromaticContact CG-CE1 3.99Å; Y156-F163 HydrophobicContact CG-CE1 3.99Å; Y156-F163 HydrophobicContact CG-CZ 4.38Å; Y156-Y194 PolarHBondContact N-O 3.25Å; Y156-R249 HydrophobicContact CD2-CG 4.48Å; Y156-R249 HydrophobicContact CE2-CB 3.94Å; Y156-R249 HydrophobicContact CE2-CG 3.64Å; Y156-R249 WeakPolarHBondContact OH-CD 3.23Å; Y156-V259 HydrophobicContact CD1-CG1 3.82Å; Y156-V259 HydrophobicContact CD2-CG1 4.19Å; Y156-V259 HydrophobicContact CE1-CG1 4.03Å; Y156-V259 HydrophobicContact CE2-CG1 4.39Å; Y156-V259 HydrophobicContact CG-CG1 3.92Å; Y156-P261 WeakPolarHBondContact OH-CA 3.16Å; Y156-P261 PolarHBondContact OH-O 2.78Å; Y156-G263 VanDerWaalsContact CE1-CA 3.45Å
157D98.1Very high97.6Very high38 Ų3841.2 Ų41.220%0.20323%0.228CC..EExtended strand (participates in β ladder)trans-110.1100.5174.7-174.8-11.1000109A159 T160 Q161 E162 R246D157-A159 PolarHBondContact O-N 2.72Å; D157-A159 WeakPolarHBondContact OD1-CB 3.44Å; D157-A159 PolarHBondContact OD1-N 3.45Å; D157-A159 VanDerWaalsContact OD1-N 3.14Å; D157-T160 PolarHBondContact O-N 2.85Å; D157-Q161 WeakPolarHBondContact O-CA 3.5Å; D157-Q161 PolarHBondContact O-N 3.11Å; D157-E162 PolarHBondContact N-O 3.32Å; D157-E162 PolarHBondContact O-N 3.37Å; D157-R246 IonicContact OD2-CZ 2.95Å; D157-R246 IonicContact OD2-NH1 3.26Å; D157-R246 PolarHBondContact OD2-NH1 2.72Å; D157-R246 IonicContact OD2-NH2 2.98Å; D157-R246 PolarHBondContact OD2-NH2 3.15Å
158P96.1Very high98Very high62 Ų6243.4 Ų43.440%0.40324%0.243SC..THydrogen-bonded Turntrans-64.2-23.9-178.3-22.433.3000113.8Y156Y156-P158 HydrophobicContact CD1-CG 3.97Å; Y156-P158 HydrophobicContact CE1-CB 4.13Å; Y156-P158 HydrophobicContact CE1-CG 3.97Å
159A97.2Very high98.3Very high95 Ų9536.9 Ų36.979%0.78523%0.225SC*.THydrogen-bonded Turntrans-71.5-35.5-176.700000111.8D157D157-A159 PolarHBondContact O-N 2.72Å; D157-A159 WeakPolarHBondContact OD1-CB 3.44Å; D157-A159 PolarHBondContact OD1-N 3.45Å; D157-A159 VanDerWaalsContact OD1-N 3.14Å
160T97.7Very high98.4Very high70 Ų7040.8 Ų40.843%0.42925%0.245SC..THydrogen-bonded Turntrans-106.5-7.3178.866.30000113.5D157 E162 R246D157-T160 PolarHBondContact O-N 2.85Å; T160-E162 VanDerWaalsContact C-N 3.34Å; T160-E162 VanDerWaalsContact CB-OE2 3.32Å; T160-E162 WeakPolarHBondContact CB-OE2 3.5Å; T160-E162 WeakPolarHBondContact OG1-CB 3.11Å; T160-E162 PolarHBondContact OG1-OE2 3.31Å; T160-R246 PolarHBondContact OG1-NH1 3Å; T160-R246 VanDerWaalsContact OG1-NH1 3.09Å
161Q98.2Very high98.4Very high89 Ų8942.6 Ų42.642%0.41626%0.257SS..THydrogen-bonded Turntrans55.248.3-172.6-59.1-178.448.200112.1D157 R249D157-Q161 WeakPolarHBondContact O-CA 3.5Å; D157-Q161 PolarHBondContact O-N 3.11Å; Q161-R249 VanDerWaalsContact O-CB 3.29Å; Q161-R249 WeakPolarHBondContact O-CB 3.33Å; Q161-R249 PolarHBondContact O-N 3.39Å
162E98.6Very high98.4Very high52 Ų5240.4 Ų40.424%0.24325%0.247CC..EExtended strand (participates in β ladder)trans-128.3159.1-179.3-65.5174.7131.900111.2Y156 D157 T160 R246 I247Y156-E162 WeakPolarHBondContact CD2-O 3.48Å; D157-E162 PolarHBondContact N-O 3.32Å; D157-E162 PolarHBondContact O-N 3.37Å; T160-E162 VanDerWaalsContact C-N 3.34Å; T160-E162 VanDerWaalsContact CB-OE2 3.32Å; T160-E162 WeakPolarHBondContact CB-OE2 3.5Å; T160-E162 WeakPolarHBondContact OG1-CB 3.11Å; T160-E162 PolarHBondContact OG1-OE2 3.31Å; E162-R246 WeakPolarHBondContact OE2-CD 3.28Å; E162-R246 IonicContact OE2-CZ 3.2Å; E162-R246 IonicContact OE2-NH1 3.84Å; E162-R246 PolarHBondContact OE2-NH1 3.03Å; E162-I247 CarbonylContact C-O 3.52Å; E162-I247 WeakPolarHBondContact CA-O 3.5Å; E162-I247 VanDerWaalsContact CB-O 3.31Å; E162-I247 WeakPolarHBondContact CB-O 3.28Å
163F98.8Very high98.4Very high0 Ų041.4 Ų41.40%025%0.253CS..EExtended strand (participates in β ladder)trans-98.9133.6162.5-68.4-78.1000109.8T155 Y156 L165 L193 F205 R246 I247 R249 M252 V259T155-F163 WeakPolarHBondContact O-CA 3.45Å; Y156-F163 AromaticContact CD2-CD1 3.97Å; Y156-F163 HydrophobicContact CD2-CD1 3.97Å; Y156-F163 HydrophobicContact CD2-CD2 4.44Å; Y156-F163 AromaticContact CD2-CE1 3.65Å; Y156-F163 HydrophobicContact CD2-CE1 3.65Å; Y156-F163 HydrophobicContact CD2-CE2 4.15Å; Y156-F163 HydrophobicContact CD2-CG 4.36Å; Y156-F163 AromaticContact CD2-CZ 3.74Å; Y156-F163 HydrophobicContact CD2-CZ 3.74Å; Y156-F163 HydrophobicContact CE2-CZ 4.46Å; Y156-F163 HydrophobicContact CG-CD1 4.44Å; Y156-F163 AromaticContact CG-CE1 3.99Å; Y156-F163 HydrophobicContact CG-CE1 3.99Å; Y156-F163 HydrophobicContact CG-CZ 4.38Å; F163-L165 HydrophobicContact CB-CD1 4.05Å; F163-L193 HydrophobicContact CD1-CD1 4.16Å; F163-L193 HydrophobicContact CE1-CD1 3.4Å; F163-L193 HydrophobicContact CZ-CD1 4.17Å; F163-F205 HydrophobicContact CB-CE1 4.48Å; F163-F205 AromaticContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD2-CD1 4.14Å; F163-F205 AromaticContact CD2-CE1 3.89Å; F163-F205 HydrophobicContact CD2-CE1 3.89Å; F163-F205 AromaticContact CE1-CE1 3.97Å; F163-F205 HydrophobicContact CE1-CE1 3.97Å; F163-F205 HydrophobicContact CE2-CE1 4.02Å; F163-F205 HydrophobicContact CG-CD1 4.23Å; F163-F205 AromaticContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CZ-CE1 4.07Å; F163-R246 WeakPolarHBondContact O-CA 3.44Å; F163-I247 HydrophobicContact CB-CD1 4.42Å; F163-I247 HydrophobicContact CB-CG1 3.89Å; F163-I247 PolarHBondContact N-O 2.94Å; F163-I247 PolarHBondContact O-N 3.08Å; F163-R249 HydrophobicContact CE2-CB 4.37Å; F163-R249 HydrophobicContact CE2-CG 4.07Å; F163-R249 WeakPolarHBondContact CE2-O 3.44Å; F163-M252 HydrophobicContact CD2-CB 4.22Å; F163-M252 HydrophobicContact CE1-SD 4.43Å; F163-M252 HydrophobicContact CE2-CB 3.5Å; F163-M252 HydrophobicContact CE2-CG 4.37Å; F163-M252 HydrophobicContact CE2-SD 4.15Å; F163-M252 HydrophobicContact CZ-CB 3.99Å; F163-M252 HydrophobicContact CZ-CG 4.38Å; F163-M252 HydrophobicContact CZ-SD 3.63Å; F163-V259 HydrophobicContact CZ-CB 4.08Å; F163-V259 HydrophobicContact CZ-CG1 4.31Å; F163-V259 HydrophobicContact CZ-CG2 4.11Å
164V98.8Very high98.4Very high23 Ų2340 Ų4014%0.13924%0.244CC..EExtended strand (participates in β ladder)trans-96.9109.7169.6-173.10000108.1A154 T155 N244 R246A154-V164 WeakPolarHBondContact CA-O 3.47Å; T155-V164 PolarHBondContact N-O 3.35Å; T155-V164 PolarHBondContact O-N 3.36Å; V164-N244 HydrophobicContact CG1-CB 3.92Å; V164-R246 HydrophobicContact CG2-CG 4.07Å
165L98.8Very high98.4Very high0 Ų043 Ų430%026%0.255CS..EExtended strand (participates in β ladder)trans-92.5132.8176.7-73.486.8000111.2T153 A154 F163 V189 F205 V207 L242 N244 V245 I247T153-L165 VanDerWaalsContact O-CA 3.26Å; T153-L165 WeakPolarHBondContact O-CA 3.46Å; A154-L165 HydrophobicContact CB-CG 4.08Å; F163-L165 HydrophobicContact CB-CD1 4.05Å; L165-V189 HydrophobicContact CD2-CB 4.29Å; L165-V189 HydrophobicContact CD2-CG1 4.17Å; L165-F205 HydrophobicContact CD2-CB 4.32Å; L165-V207 HydrophobicContact CD2-CG2 3.65Å; L165-L242 HydrophobicContact CB-CB 4.48Å; L165-L242 HydrophobicContact CB-CD1 3.76Å; L165-L242 HydrophobicContact CD2-CD1 3.82Å; L165-L242 HydrophobicContact CG-CD1 4.46Å; L165-N244 CarbonylContact O-C 3.39Å; L165-N244 VanDerWaalsContact O-CA 3.29Å; L165-N244 WeakPolarHBondContact O-CA 3.43Å; L165-N244 PolarHBondContact O-N 3.27Å; L165-V245 PolarHBondContact N-O 3.02Å; L165-V245 PolarHBondContact O-N 3.09Å; L165-I247 HydrophobicContact CD1-CD1 3.4Å; L165-I247 HydrophobicContact CD1-CG1 3.54Å; L165-I247 HydrophobicContact CD1-CG2 4.34Å
166N98.8Very high98.4Very high38 Ų3846.4 Ų46.420%0.20326%0.261CS..EExtended strand (participates in β ladder)trans-143140.4-178.1-169.357.9000112.5T153 P168 L242 N244T153-N166 PolarHBondContact N-O 3.29Å; T153-N166 PolarHBondContact O-N 3.18Å; T153-N166 PolarHBondContact OG1-O 3.37Å; N166-P168 VanDerWaalsContact O-CD 3.26Å; N166-P168 WeakPolarHBondContact O-CD 3.45Å; N166-L242 WeakPolarHBondContact CA-O 3.23Å; N166-L242 PolarHBondContact OD1-O 3.34Å; N166-N244 PolarHBondContact OD1-N 2.88Å; N166-N244 PolarHBondContact OD1-OD1 3.39Å
167S98.8Very high98.4Very high6 Ų646.3 Ų46.34%0.04226%0.262CS..  trans-99.391.4169.3-65.60000108.8T169 S172 L242S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 2.88Å; S167-S172 WeakPolarHBondContact CA-OG 3.49Å; S167-S172 VanDerWaalsContact CB-OG 3.28Å; S167-S172 WeakPolarHBondContact CB-OG 3.28Å; S167-L242 PolarHBondContact N-O 3.33Å; S167-L242 PolarHBondContact OG-N 2.84Å
168P98.4Very high98.4Very high71 Ų7144.9 Ų44.946%0.46126%0.256SS..  trans-66.8-24.5-169.727.2-37.2000114.4E151 N166 S172E151-P168 HydrophobicContact CB-CG 4.38Å; E151-P168 WeakPolarHBondContact O-CD 3.38Å; E151-P168 WeakPolarHBondContact O-CG 3.47Å; N166-P168 VanDerWaalsContact O-CD 3.26Å; N166-P168 WeakPolarHBondContact O-CD 3.45Å; P168-S172 WeakPolarHBondContact CD-OG 3.47Å
169T98.7Very high98.5Very high58 Ų5841.9 Ų41.936%0.35624%0.237SC..SBendtrans-136.7165.5-172.462.40000110.6E151 S167 S171 S172E151-T169 PolarHBondContact OE2-OG1 2.93Å; S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 2.88Å; T169-S171 VanDerWaalsContact C-N 3.26Å; T169-S171 PolarHBondContact O-N 2.88Å; T169-S171 PolarHBondContact OG1-OG 3.05Å; T169-S172 PolarHBondContact N-OG 3.25Å; T169-S172 VanDerWaalsContact N-OG 3.13Å; T169-S172 PolarHBondContact O-N 3.46Å; T169-S172 PolarHBondContact O-OG 3.42Å; T169-S172 WeakPolarHBondContact OG1-CB 3.49Å; T169-S172 PolarHBondContact OG1-N 2.94Å
170V98.8Very high98.6Very high102 Ų10237.4 Ų37.462%0.61820%0.199SC*.SBendtrans-62.8-37.2171.2176.30000110.9M141 S172 I173M141-V170 HydrophobicContact CE-CG1 4.25Å; M141-V170 HydrophobicContact SD-CG1 3.92Å; V170-S172 PolarHBondContact O-N 3.31Å; V170-I173 HydrophobicContact CG1-CD1 4.33Å; V170-I173 WeakPolarHBondContact O-CB 3.46Å; V170-I173 WeakPolarHBondContact O-CG1 3.13Å; V170-I173 PolarHBondContact O-N 3.32Å
171S98.7Very high98.6Very high40 Ų4034 Ų3428%0.2818%0.179SC..THydrogen-bonded Turntrans-65.4-26.2177.550.80000113.1E140 M141 G142 E151 T169 I173E140-S171 WeakPolarHBondContact CB-O 3.49Å; M141-S171 PolarHBondContact N-O 3.34Å; G142-S171 PolarHBondContact N-O 3.41Å; E151-S171 VanDerWaalsContact CD-OG 3.24Å; E151-S171 WeakPolarHBondContact OE1-CB 3.26Å; E151-S171 PolarHBondContact OE1-OG 3.41Å; E151-S171 PolarHBondContact OE2-OG 2.84Å; T169-S171 VanDerWaalsContact C-N 3.26Å; T169-S171 PolarHBondContact O-N 2.88Å; T169-S171 PolarHBondContact OG1-OG 3.05Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 3.15Å
172S98.8Very high98.7Very high0 Ų034.8 Ų34.80%018%0.181CC..THydrogen-bonded Turntrans-75.8-10175.976.90000115.1E140 E151 T152 S167 P168 T169 V170 K174E140-S172 WeakPolarHBondContact CG-O 3.2Å; E151-S172 VanDerWaalsContact CB-CB 3.42Å; T152-S172 PolarHBondContact OG1-O 3.18Å; S167-S172 WeakPolarHBondContact CA-OG 3.49Å; S167-S172 VanDerWaalsContact CB-OG 3.28Å; S167-S172 WeakPolarHBondContact CB-OG 3.28Å; P168-S172 WeakPolarHBondContact CD-OG 3.47Å; T169-S172 PolarHBondContact N-OG 3.25Å; T169-S172 VanDerWaalsContact N-OG 3.13Å; T169-S172 PolarHBondContact O-N 3.46Å; T169-S172 PolarHBondContact O-OG 3.42Å; T169-S172 WeakPolarHBondContact OG1-CB 3.49Å; T169-S172 PolarHBondContact OG1-N 2.94Å; V170-S172 PolarHBondContact O-N 3.31Å; S172-K174 PolarHBondContact O-N 3.02Å
173I98.9Very high98.7Very high22 Ų2232.7 Ų32.711%0.11317%0.171CC..SBendtrans-62.1126.5178.4-65.2177.8000107.9E140 M141 V170 S171 W175 F239 K241E140-I173 CarbonylContact C-O 3.46Å; E140-I173 VanDerWaalsContact CA-O 3.31Å; E140-I173 WeakPolarHBondContact CA-O 3.37Å; M141-I173 PolarHBondContact N-O 3.08Å; V170-I173 HydrophobicContact CG1-CD1 4.33Å; V170-I173 WeakPolarHBondContact O-CB 3.46Å; V170-I173 WeakPolarHBondContact O-CG1 3.13Å; V170-I173 PolarHBondContact O-N 3.32Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 3.15Å; I173-W175 PolarHBondContact O-N 3.36Å; I173-F239 HydrophobicContact CG2-CB 3.95Å; I173-F239 HydrophobicContact CG2-CD2 4.48Å; I173-K241 HydrophobicContact CD1-CB 4.18Å; I173-K241 HydrophobicContact CD1-CD 4.31Å; I173-K241 HydrophobicContact CD1-CG 4.31Å; I173-K241 HydrophobicContact CG1-CB 3.94Å; I173-K241 HydrophobicContact CG1-CG 4.07Å; I173-K241 HydrophobicContact CG2-CB 4.45Å
174K98.9Very high98.7Very high0 Ų032.9 Ų32.90%017%0.173CC..EExtended strand (participates in β ladder)trans-59.3137.7174.1-62.4-59.2-177.7-1640108.7A137 Q138 T139 E140 T152 S172 L190 F239 L240A137-K174 HydrophobicContact CB-CB 4.39Å; A137-K174 HydrophobicContact CB-CG 4.15Å; A137-K174 WeakPolarHBondContact O-CE 3.5Å; Q138-K174 PolarHBondContact O-NZ 2.93Å; T139-K174 CarbonylContact O-C 3.49Å; T139-K174 VanDerWaalsContact O-CA 3.26Å; T139-K174 WeakPolarHBondContact O-CA 3.01Å; T139-K174 WeakPolarHBondContact O-CD 3.46Å; E140-K174 HydrophobicContact CG-CD 3.72Å; E140-K174 IonicContact OE1-NZ 3.84Å; E140-K174 PolarHBondContact OE1-NZ 3.26Å; T152-K174 VanDerWaalsContact OG1-CE 3.27Å; T152-K174 WeakPolarHBondContact OG1-CE 3.38Å; T152-K174 PolarHBondContact OG1-NZ 3.19Å; S172-K174 PolarHBondContact O-N 3.02Å; K174-L190 VanDerWaalsContact CE-O 3.3Å; K174-L190 WeakPolarHBondContact CE-O 3.43Å; K174-L190 PolarHBondContact NZ-O 3.47Å; K174-F239 CarbonylContact O-C 3.58Å; K174-F239 WeakPolarHBondContact O-CA 3.43Å; K174-F239 WeakPolarHBondContact O-CB 3.47Å; K174-L240 HydrophobicContact CB-CB 4.06Å; K174-L240 PolarHBondContact N-O 3.49Å; K174-L240 PolarHBondContact O-N 3.41Å
175W98.8Very high98.6Very high63 Ų6332.4 Ų32.424%0.23917%0.169CC..EExtended strand (participates in β ladder)trans-148.4134.9-172.9-163.8-79.9000110.3T139 M141 I173 P177 I226 F239T139-W175 WeakPolarHBondContact CB-O 3.27Å; T139-W175 WeakPolarHBondContact CG2-O 3.26Å; T139-W175 PolarHBondContact O-N 3.35Å; M141-W175 HydrophobicContact CB-CB 4.33Å; M141-W175 HydrophobicContact CE-CD2 4.21Å; M141-W175 HydrophobicContact CE-CE3 3.42Å; M141-W175 VanDerWaalsContact CE-CE3 3.42Å; M141-W175 HydrophobicContact CE-CH2 4.19Å; M141-W175 HydrophobicContact CE-CZ3 3.42Å; M141-W175 VanDerWaalsContact CE-CZ3 3.42Å; I173-W175 PolarHBondContact O-N 3.36Å; W175-P177 VanDerWaalsContact O-CD 3.3Å; W175-P177 WeakPolarHBondContact O-CD 3.35Å; W175-I226 HydrophobicContact CD2-CG2 3.79Å; W175-I226 HydrophobicContact CE3-CG2 4.21Å; W175-I226 HydrophobicContact CG-CG2 4.27Å; W175-I226 HydrophobicContact CH2-CB 4.2Å; W175-I226 HydrophobicContact CH2-CG2 4.14Å; W175-I226 HydrophobicContact CZ2-CB 3.57Å; W175-I226 HydrophobicContact CZ2-CG2 3.72Å; W175-I226 HydrophobicContact CZ3-CG2 4.36Å; W175-F239 HydrophobicContact CD2-CB 4.39Å; W175-F239 HydrophobicContact CE3-CB 3.55Å; W175-F239 HydrophobicContact CE3-CG 4.49Å; W175-F239 HydrophobicContact CZ3-CB 3.77Å; W175-F239 HydrophobicContact CZ3-CD1 4.23Å; W175-F239 HydrophobicContact CZ3-CG 4.24Å
176W98.6Very high98.6Very high134 Ų13433 Ų3351%0.50817%0.172SC..  trans96.2-27.4-176.4-61.3110000119.9G178 I226 K229 N237 G238W176-G178 PolarHBondContact O-N 2.87Å; W176-I226 HydrophobicContact CD2-CD1 3.91Å; W176-I226 HydrophobicContact CE3-CD1 3.26Å; W176-I226 HydrophobicContact CH2-CD1 3.99Å; W176-I226 HydrophobicContact CZ3-CD1 3.32Å; W176-K229 HydrophobicContact CZ3-CD 3.89Å; W176-K229 HydrophobicContact CZ3-CG 4.36Å; W176-N237 WeakPolarHBondContact O-CB 3.41Å; W176-N237 PolarHBondContact O-ND2 3.4Å; W176-G238 PolarHBondContact N-O 3.18Å
177P98.4Very high98.6Very high10 Ų1031.1 Ų31.17%0.06516%0.162CC..  trans-52.1120.6-173.6-29.934.9000112.9Y136 A137 W175 L180 N237 G238Y136-P177 WeakPolarHBondContact O-CB 3.46Å; A137-P177 HydrophobicContact CB-CG 4.01Å; W175-P177 VanDerWaalsContact O-CD 3.3Å; W175-P177 WeakPolarHBondContact O-CD 3.35Å; P177-L180 HydrophobicContact CB-CB 3.86Å; P177-L180 HydrophobicContact CB-CD2 3.76Å; P177-L180 HydrophobicContact CB-CG 4.43Å; P177-L180 HydrophobicContact CG-CD2 3.78Å; P177-L180 WeakPolarHBondContact O-CB 3.39Å; P177-L180 PolarHBondContact O-N 3.09Å; P177-N237 WeakPolarHBondContact O-CA 3.13Å; P177-G238 PolarHBondContact O-N 2.96Å
178G98.2Very high98.6Very high7 Ų730.9 Ų30.97%0.07216%0.16CC..THydrogen-bonded Turntrans-65.4138.317700000111.3L102 T135 W176 L180L102-G178 WeakPolarHBondContact CD1-O 3.31Å; T135-G178 WeakPolarHBondContact CB-O 3.23Å; T135-G178 PolarHBondContact OG1-O 2.88Å; W176-G178 PolarHBondContact O-N 2.87Å; G178-L180 PolarHBondContact O-N 3.12Å
179G98.3Very high98.6Very high0 Ų027.5 Ų27.50%014%0.138CC..THydrogen-bonded Turntrans80.8-7.4-174.600000114.3T183 S184 D236G179-T183 WeakPolarHBondContact O-CB 3.05Å; G179-T183 PolarHBondContact O-N 3.03Å; G179-S184 WeakPolarHBondContact O-CB 3.16Å; G179-S184 PolarHBondContact O-N 2.95Å; G179-S184 PolarHBondContact O-OG 3.5Å; G179-D236 VanDerWaalsContact C-OD2 3.29Å; G179-D236 VanDerWaalsContact CA-OD1 3.26Å; G179-D236 WeakPolarHBondContact CA-OD1 3.17Å; G179-D236 WeakPolarHBondContact CA-OD2 3.37Å; G179-D236 PolarHBondContact N-O 3.49Å; G179-D236 PolarHBondContact N-OD1 2.95Å
180L98.8Very high98.6Very high0 Ų024.9 Ų24.90%012%0.122CC..THydrogen-bonded Turntrans-75.8-32.5-178.2-18061.1000112.6T135 P177 G178 K182 A187 I209 V223 D236 L240T135-L180 HydrophobicContact CG2-CB 3.91Å; T135-L180 HydrophobicContact CG2-CD1 3.85Å; T135-L180 HydrophobicContact CG2-CG 4.46Å; P177-L180 HydrophobicContact CB-CB 3.86Å; P177-L180 HydrophobicContact CB-CD2 3.76Å; P177-L180 HydrophobicContact CB-CG 4.43Å; P177-L180 HydrophobicContact CG-CD2 3.78Å; P177-L180 WeakPolarHBondContact O-CB 3.39Å; P177-L180 PolarHBondContact O-N 3.09Å; G178-L180 PolarHBondContact O-N 3.12Å; L180-K182 PolarHBondContact O-N 3.39Å; L180-A187 HydrophobicContact CD1-CB 4.47Å; L180-I209 HydrophobicContact CD1-CD1 3.63Å; L180-V223 HydrophobicContact CD1-CG2 4.25Å; L180-V223 HydrophobicContact CG-CG2 4.3Å; L180-V223 WeakPolarHBondContact O-CG2 3.33Å; L180-D236 PolarHBondContact N-O 2.85Å; L180-L240 HydrophobicContact CD1-CB 4.1Å; L180-L240 HydrophobicContact CD1-CD2 4.22Å; L180-L240 HydrophobicContact CD2-CB 3.76Å; L180-L240 HydrophobicContact CG-CB 4.27Å
181G98.6Very high98.6Very high0 Ų020 Ų200%09%0.093CC..THydrogen-bonded Turntrans-63.9-43.7-168.400000112.9R210 G224 D236G181-R210 PolarHBondContact O-NH2 2.87Å; G181-G224 WeakPolarHBondContact CA-O 3.31Å; G181-D236 PolarHBondContact N-O 2.91Å; G181-D236 PolarHBondContact N-OD2 3.23Å
182K98.5Very high98.5Very high104 Ų10419 Ų1945%0.4528%0.084SC..THydrogen-bonded Turntrans-145.1-22.3-170.1-60.6-63.2170.7-1770113.8Y60 L180 H215 D236Y60-K182 HydrophobicContact CE1-CB 4.27Å; Y60-K182 WeakPolarHBondContact OH-CB 3.42Å; L180-K182 PolarHBondContact O-N 3.39Å; K182-H215 PolarHBondContact O-NE2 2.8Å; K182-D236 WeakPolarHBondContact CA-OD2 3.15Å; K182-D236 HydrophobicContact CB-CB 4.32Å; K182-D236 PolarHBondContact N-OD2 2.94Å
183T98.5Very high98.5Very high8 Ų819 Ų195%0.0498%0.084CC..THydrogen-bonded Turntrans-89.2-48.4-169.2-54.80000113.8Y60 P99 F100 L133 G179 H215 D236Y60-T183 PolarHBondContact OH-OG1 3.09Å; P99-T183 HydrophobicContact CB-CG2 3.9Å; P99-T183 WeakPolarHBondContact CB-OG1 3.16Å; F100-T183 HydrophobicContact CD1-CG2 3.66Å; F100-T183 HydrophobicContact CE1-CG2 3.55Å; L133-T183 HydrophobicContact CD1-CG2 4.48Å; G179-T183 WeakPolarHBondContact O-CB 3.05Å; G179-T183 PolarHBondContact O-N 3.03Å; T183-H215 PolarHBondContact O-CE1 2.74Å; T183-D236 WeakPolarHBondContact CB-OD2 3.43Å; T183-D236 PolarHBondContact N-OD2 3.27Å; T183-D236 PolarHBondContact OG1-OD1 2.65Å; T183-D236 PolarHBondContact OG1-OD2 2.94Å
184S98.7Very high98.5Very high4 Ų421.9 Ų21.93%0.0289%0.094CC..  trans-82139.4-170-63.60000112L133 T135 G179 H186 I209 R210L133-S184 CarbonylContact O-C 3.39Å; L133-S184 WeakPolarHBondContact O-CA 3.44Å; L133-S184 WeakPolarHBondContact O-CB 3.36Å; T135-S184 WeakPolarHBondContact CB-OG 3.05Å; G179-S184 WeakPolarHBondContact O-CB 3.16Å; G179-S184 PolarHBondContact O-N 2.95Å; G179-S184 PolarHBondContact O-OG 3.5Å; S184-H186 WeakPolarHBondContact CB-O 3.5Å; S184-I209 WeakPolarHBondContact O-CD1 3.26Å; S184-R210 VanDerWaalsContact O-CD 3.24Å; S184-R210 WeakPolarHBondContact O-CD 3.47Å; S184-R210 PolarHBondContact O-NE 2.94Å
185N98.6Very high98.4Very high13 Ų1322 Ų227%0.079%0.094CC..SBendtrans-99.9-14.5171.757.830.1000112.6L133 I209 R210 M212L133-N185 PolarHBondContact N-OD1 2.97Å; L133-N185 PolarHBondContact O-N 3.38Å; L133-N185 PolarHBondContact O-OD1 3.32Å; L133-N185 VanDerWaalsContact O-OD1 3.05Å; N185-I209 VanDerWaalsContact C-CG1 3.44Å; N185-I209 VanDerWaalsContact O-CG1 3.23Å; N185-I209 WeakPolarHBondContact O-CG1 3.36Å; N185-I209 PolarHBondContact O-N 3.38Å; N185-R210 HydrophobicContact CB-CB 4.05Å; N185-R210 PolarHBondContact O-N 3.18Å; N185-M212 HydrophobicContact CB-SD 4.13Å; N185-M212 VanDerWaalsContact CG-SD 3.57Å; N185-M212 PolarHBondContact ND2-SD 2.89Å; N185-M212 VanDerWaalsContact ND2-SD 3.43Å
186H98.8Very high98.3Very high12 Ų1224.2 Ų24.26%0.05611%0.11CC..EExtended strand (participates in β ladder)trans-128.6155.7171.6-70.567.9000111.3F107 W123 V132 L133 G134 T135 S184 V207 M212F107-H186 HydrophobicContact CE2-CB 4.39Å; F107-H186 HydrophobicContact CZ-CB 4.17Å; W123-H186 AromaticContact CZ3-CD2 3.9Å; W123-H186 AromaticContact CZ3-NE2 3.82Å; V132-H186 HydrophobicContact CG1-CB 3.68Å; V132-H186 WeakPolarHBondContact CG1-ND1 3.37Å; L133-H186 PolarHBondContact O-N 3.48Å; G134-H186 VanDerWaalsContact CA-O 3.28Å; G134-H186 WeakPolarHBondContact CA-O 3.49Å; T135-H186 PolarHBondContact N-O 3.48Å; S184-H186 WeakPolarHBondContact CB-O 3.5Å; H186-V207 CarbonylContact C-O 3.58Å; H186-V207 WeakPolarHBondContact CA-O 3.49Å; H186-M212 VanDerWaalsContact CE1-SD 3.55Å
187A98.8Very high98.1Very high0 Ų021.5 Ų21.50%012%0.124CC..EExtended strand (participates in β ladder)trans-137.7141.2171.200000110.6T135 A137 L180 V189 V207 I209T135-A187 HydrophobicContact CG2-CB 3.9Å; T135-A187 WeakPolarHBondContact O-CA 3.49Å; A137-A187 HydrophobicContact CB-CB 4.31Å; L180-A187 HydrophobicContact CD1-CB 4.47Å; A187-V189 HydrophobicContact CB-CG2 4.14Å; A187-V189 PolarHBondContact O-N 3.02Å; A187-V207 PolarHBondContact N-O 2.91Å; A187-V207 PolarHBondContact O-N 2.89Å; A187-I209 HydrophobicContact CB-CD1 4.31Å; A187-I209 HydrophobicContact CB-CG2 4.32Å
188I98.6Very high98Very high0 Ų025.6 Ų25.60%015%0.145CC..EExtended strand (participates in β ladder)trans-81.3110.1159.4-68.9168.5000106.7F107 L111 T135 Y136 A137 A204 F205 I206 M253F107-I188 HydrophobicContact CD2-CB 4.45Å; F107-I188 HydrophobicContact CD2-CD1 3.66Å; F107-I188 HydrophobicContact CD2-CG1 3.66Å; F107-I188 HydrophobicContact CE2-CD1 4.06Å; F107-I188 HydrophobicContact CE2-CG1 3.71Å; F107-I188 HydrophobicContact CG-CD1 4.33Å; L111-I188 HydrophobicContact CD2-CD1 4.4Å; L111-I188 HydrophobicContact CG-CD1 4.43Å; T135-I188 PolarHBondContact O-N 2.77Å; Y136-I188 HydrophobicContact CD2-CB 4.01Å; Y136-I188 HydrophobicContact CD2-CG2 3.85Å; Y136-I188 HydrophobicContact CE2-CB 4.49Å; Y136-I188 HydrophobicContact CE2-CG2 3.82Å; A137-I188 PolarHBondContact N-O 3.49Å; I188-A204 HydrophobicContact CG2-CB 3.84Å; I188-F205 CarbonylContact C-O 3.48Å; I188-F205 VanDerWaalsContact CA-O 3.31Å; I188-F205 WeakPolarHBondContact CA-O 3.44Å; I188-I206 HydrophobicContact CG1-CG1 4.35Å; I188-M253 HydrophobicContact CD1-CE 4.06Å; I188-M253 HydrophobicContact CD1-SD 4.09Å; I188-M253 HydrophobicContact CG1-SD 4.31Å; I188-M253 HydrophobicContact CG2-SD 4.02Å
189V98.6Very high97.9Very high0 Ų028.3 Ų28.30%016%0.162CC..EExtended strand (participates in β ladder)trans-97.8128.5179.5-179.40000109.2A137 T152 L165 A187 F205 V207 L240 L242A137-V189 HydrophobicContact CB-CG2 4.21Å; A137-V189 WeakPolarHBondContact O-CA 3.35Å; T152-V189 HydrophobicContact CG2-CG1 4.23Å; L165-V189 HydrophobicContact CD2-CB 4.29Å; L165-V189 HydrophobicContact CD2-CG1 4.17Å; A187-V189 HydrophobicContact CB-CG2 4.14Å; A187-V189 PolarHBondContact O-N 3.02Å; V189-F205 PolarHBondContact N-O 3.04Å; V189-F205 PolarHBondContact O-N 3Å; V189-V207 HydrophobicContact CB-CG2 3.89Å; V189-V207 HydrophobicContact CG2-CB 3.95Å; V189-V207 HydrophobicContact CG2-CG2 3.55Å; V189-L240 HydrophobicContact CG2-CD2 4.05Å; V189-L242 HydrophobicContact CG1-CD1 4.14Å
190L97.8Very high97.8Very high4 Ų431 Ų312%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-91122.4171.2-15475.3000109.8A137 Q138 L150 K174 L202 H203 A204A137-L190 PolarHBondContact O-N 2.84Å; Q138-L190 HydrophobicContact CB-CB 4.3Å; Q138-L190 HydrophobicContact CB-CD2 4.49Å; Q138-L190 HydrophobicContact CG-CB 4.36Å; Q138-L190 HydrophobicContact CG-CD2 3.77Å; L150-L190 HydrophobicContact CD1-CD2 4.09Å; K174-L190 VanDerWaalsContact CE-O 3.3Å; K174-L190 WeakPolarHBondContact CE-O 3.43Å; K174-L190 PolarHBondContact NZ-O 3.47Å; L190-L202 HydrophobicContact CD2-CB 4.15Å; L190-L202 HydrophobicContact CD2-CD1 3.83Å; L190-L202 HydrophobicContact CD2-CD2 4.38Å; L190-L202 HydrophobicContact CD2-CG 4.36Å; L190-L202 HydrophobicContact CG-CB 4.15Å; L190-L202 HydrophobicContact CG-CD2 4.35Å; L190-H203 WeakPolarHBondContact CA-O 3.41Å; L190-H203 WeakPolarHBondContact CD1-O 3.34Å; L190-A204 HydrophobicContact CD1-CB 4.07Å
191A98.3Very high97.6Very high0 Ų032.1 Ų32.10%019%0.186CC..EExtended strand (participates in β ladder)trans-142.4157-175.200000111.8T152 A154 L193 L202 H203 F205T152-A191 HydrophobicContact CG2-CB 3.81Å; T152-A191 CarbonylContact O-C 3.46Å; T152-A191 WeakPolarHBondContact O-CA 3.44Å; T152-A191 WeakPolarHBondContact O-CB 3.45Å; A154-A191 HydrophobicContact CB-CB 3.94Å; A191-L193 PolarHBondContact O-N 2.65Å; A191-L202 WeakPolarHBondContact O-CA 3.49Å; A191-H203 PolarHBondContact N-O 3.47Å; A191-H203 PolarHBondContact O-N 3.25Å; A191-F205 HydrophobicContact CB-CD2 4.15Å; A191-F205 HydrophobicContact CB-CE2 4.06Å
192Q98.2Very high97.4Very high19 Ų1933.5 Ų33.59%0.08919%0.193CC..EExtended strand (participates in β ladder)trans-69.6113.5171.8-59.1-69.71.700109.2R148 L150 T152 A154 Y194 L202R148-Q192 PolarHBondContact O-NE2 3.35Å; L150-Q192 WeakPolarHBondContact O-CG 3.48Å; L150-Q192 PolarHBondContact O-NE2 3.33Å; T152-Q192 PolarHBondContact O-N 2.89Å; A154-Q192 PolarHBondContact N-O 2.9Å; Q192-Y194 HydrophobicContact CB-CD2 4.39Å; Q192-Y194 HydrophobicContact CB-CE2 3.73Å; Q192-Y194 WeakPolarHBondContact O-CD2 3.26Å; Q192-L202 HydrophobicContact CG-CD2 4.44Å
193L98.1Very high97.2Very high0 Ų029.3 Ų29.30%018%0.175CC..EExtended strand (participates in β ladder)trans-76124.2178.6170.361.2000110.2F163 A191 C199 H200 G201 H203 F205 M252 V259 Y265F163-L193 HydrophobicContact CD1-CD1 4.16Å; F163-L193 HydrophobicContact CE1-CD1 3.4Å; F163-L193 HydrophobicContact CZ-CD1 4.17Å; A191-L193 PolarHBondContact O-N 2.65Å; L193-C199 CarbonylContact O-C 3.56Å; L193-C199 WeakPolarHBondContact O-CA 3.41Å; L193-H200 HydrophobicContact CB-CB 4.38Å; L193-H200 HydrophobicContact CD2-CB 4.02Å; L193-H200 HydrophobicContact CG-CB 4.18Å; L193-H200 PolarHBondContact O-N 3.28Å; L193-G201 PolarHBondContact N-O 2.94Å; L193-H203 HydrophobicContact CB-CB 4.16Å; L193-H203 WeakPolarHBondContact CB-ND1 3.45Å; L193-F205 HydrophobicContact CB-CZ 4.35Å; L193-F205 HydrophobicContact CD1-CZ 4.09Å; L193-M252 HydrophobicContact CD1-SD 4.48Å; L193-M252 HydrophobicContact CD2-CE 3.7Å; L193-M252 HydrophobicContact CD2-SD 4.18Å; L193-V259 HydrophobicContact CD1-CG2 4.15Å; L193-V259 HydrophobicContact CD2-CG2 3.86Å; L193-Y265 HydrophobicContact CD2-CD2 3.83Å; L193-Y265 HydrophobicContact CD2-CE2 3.79Å
194Y98.4Very high97.1Very high82 Ų8229.2 Ų29.232%0.32218%0.175SC..EExtended strand (participates in β ladder)trans-113.9127.8169-69-97.9000110.4T153 A154 Y156 Q192 N198 C199T153-Y194 HydrophobicContact CG2-CD2 4.36Å; T153-Y194 HydrophobicContact CG2-CE2 3.76Å; A154-Y194 PolarHBondContact O-N 3.07Å; Y156-Y194 PolarHBondContact N-O 3.25Å; Q192-Y194 HydrophobicContact CB-CD2 4.39Å; Q192-Y194 HydrophobicContact CB-CE2 3.73Å; Q192-Y194 WeakPolarHBondContact O-CD2 3.26Å; Y194-N198 VanDerWaalsContact CA-O 3.26Å; Y194-N198 WeakPolarHBondContact CA-O 3.27Å; Y194-C199 HydrophobicContact CD1-CB 3.96Å; Y194-C199 HydrophobicContact CE1-CB 3.54Å
195S97.8Very high97.1Very high2 Ų229 Ų291%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-141.7138.8170.8-165.80000110.6G197 N198 G263S195-G197 PolarHBondContact O-N 3.14Å; S195-G197 VanDerWaalsContact O-N 3.11Å; S195-N198 PolarHBondContact N-O 3.21Å; S195-N198 PolarHBondContact O-N 3.28Å; S195-G263 WeakPolarHBondContact CB-O 3.41Å; S195-G263 WeakPolarHBondContact OG-CA 3.25Å; S195-G263 PolarHBondContact OG-O 3.37Å
196L95.9Very high97.1Very high110 Ų11028.4 Ų28.458%0.57617%0.171SC*.THydrogen-bonded Turntrans48.139.6-176.7-57.4176.9000113N198L196-N198 VanDerWaalsContact C-N 3.28Å; L196-N198 PolarHBondContact O-N 3.33Å; L196-N198 PolarHBondContact O-ND2 2.92Å
197G93.4Very high97.1Very high76 Ų7627.9 Ų27.978%0.78417%0.168SC*.THydrogen-bonded Turntrans77.6-2.2-179.300000116S195S195-G197 PolarHBondContact O-N 3.14Å; S195-G197 VanDerWaalsContact O-N 3.11Å
198N97Very high97.1Very high96 Ų9629.6 Ų29.651%0.51318%0.179SC..EExtended strand (participates in β ladder)trans-104.1139.7-177.7-63.9-67.2000112.1Y194 S195 L196Y194-N198 VanDerWaalsContact CA-O 3.26Å; Y194-N198 WeakPolarHBondContact CA-O 3.27Å; S195-N198 PolarHBondContact N-O 3.21Å; S195-N198 PolarHBondContact O-N 3.28Å; L196-N198 VanDerWaalsContact C-N 3.28Å; L196-N198 PolarHBondContact O-N 3.33Å; L196-N198 PolarHBondContact O-ND2 2.92Å
199C97Very high97.1Very high64 Ų6429.6 Ų29.643%0.43218%0.179SC..EExtended strand (participates in β ladder)trans-85.7123.7170.8-173.90000110.5L193 Y194L193-C199 CarbonylContact O-C 3.56Å; L193-C199 WeakPolarHBondContact O-CA 3.41Å; Y194-C199 HydrophobicContact CD1-CB 3.96Å; Y194-C199 HydrophobicContact CE1-CB 3.54Å
200H95.5Very high97.1Very high58 Ų5830.4 Ų30.427%0.26918%0.182SC..EExtended strand (participates in β ladder)trans-104.38.4179.5-60.7-59.9000113.2L193 H203 Y265L193-H200 HydrophobicContact CB-CB 4.38Å; L193-H200 HydrophobicContact CD2-CB 4.02Å; L193-H200 HydrophobicContact CG-CB 4.18Å; L193-H200 PolarHBondContact O-N 3.28Å; H200-H203 PolarHBondContact O-CE1 3.24Å; H200-Y265 HydrophobicContact CB-CD1 4.2Å; H200-Y265 HydrophobicContact CB-CD2 4.22Å; H200-Y265 HydrophobicContact CB-CE1 4.04Å; H200-Y265 HydrophobicContact CB-CE2 4.08Å; H200-Y265 HydrophobicContact CB-CG 4.27Å; H200-Y265 AromaticContact CD2-CG 3.77Å; H200-Y265 AromaticContact CE1-CD1 3.85Å; H200-Y265 AromaticContact CE1-CG 3.96Å; H200-Y265 AromaticContact CG-CD1 3.7Å; H200-Y265 AromaticContact CG-CG 3.69Å; H200-Y265 AromaticContact ND1-CD1 3.46Å; H200-Y265 WeakPolarHBondContact ND1-CD1 3.41Å; H200-Y265 AromaticContact ND1-CE1 3.95Å; H200-Y265 AromaticContact ND1-CG 3.82Å; H200-Y265 AromaticContact NE2-CG 3.94Å
201G94Very high97.1Very high22 Ų2232.9 Ų32.923%0.22720%0.195CC..EExtended strand (participates in β ladder)trans79.5-164.5-179.500000113.4L193 H203L193-G201 PolarHBondContact N-O 2.94Å; G201-H203 PolarHBondContact O-N 2.89Å; G201-H203 PolarHBondContact O-ND1 3.11Å
202L94Very high97.1Very high29 Ų2937.5 Ų37.515%0.15222%0.218CC..EExtended strand (participates in β ladder)trans-71.8127.5-170.5-65.3174.7000113.9L147 L150 L190 A191 Q192L147-L202 HydrophobicContact CB-CD1 3.73Å; L147-L202 WeakPolarHBondContact O-CD1 3.41Å; L150-L202 HydrophobicContact CB-CD2 3.97Å; L150-L202 HydrophobicContact CD1-CD1 4.01Å; L150-L202 HydrophobicContact CD1-CD2 3.72Å; L150-L202 HydrophobicContact CG-CD2 4.4Å; L190-L202 HydrophobicContact CD2-CB 4.15Å; L190-L202 HydrophobicContact CD2-CD1 3.83Å; L190-L202 HydrophobicContact CD2-CD2 4.38Å; L190-L202 HydrophobicContact CD2-CG 4.36Å; L190-L202 HydrophobicContact CG-CB 4.15Å; L190-L202 HydrophobicContact CG-CD2 4.35Å; A191-L202 WeakPolarHBondContact O-CA 3.49Å; Q192-L202 HydrophobicContact CG-CD2 4.44Å
203H95.4Very high97Very high17 Ų1742.8 Ų42.88%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-134.1157173.7-70.779000110.9L190 A191 L193 H200 G201 F205 M252 Y265L190-H203 WeakPolarHBondContact CA-O 3.41Å; L190-H203 WeakPolarHBondContact CD1-O 3.34Å; A191-H203 PolarHBondContact N-O 3.47Å; A191-H203 PolarHBondContact O-N 3.25Å; L193-H203 HydrophobicContact CB-CB 4.16Å; L193-H203 WeakPolarHBondContact CB-ND1 3.45Å; H200-H203 PolarHBondContact O-CE1 3.24Å; G201-H203 PolarHBondContact O-N 2.89Å; G201-H203 PolarHBondContact O-ND1 3.11Å; H203-F205 HydrophobicContact CB-CE2 3.68Å; H203-F205 HydrophobicContact CB-CZ 3.86Å; H203-F205 WeakPolarHBondContact O-CD2 3.4Å; H203-F205 VanDerWaalsContact O-CE2 3.3Å; H203-F205 WeakPolarHBondContact O-CE2 3.28Å; H203-M252 HydrophobicContact CB-CE 4.33Å; H203-M252 WeakPolarHBondContact CD2-CE 3.31Å; H203-Y265 AromaticContact CE1-CE2 3.81Å; H203-Y265 AromaticContact CE1-CZ 3.93Å; H203-Y265 PolarHBondContact CE1-OH 3.12Å; H203-Y265 AromaticContact NE2-CE2 3.55Å; H203-Y265 AromaticContact NE2-CZ 3.8Å; H203-Y265 PolarHBondContact NE2-OH 3Å
204A96.3Very high97Very high6 Ų646.9 Ų46.95%0.0528%0.277CS..EExtended strand (participates in β ladder)trans-100.1133.8-178.100000110.6L114 I188 L190 M253L114-A204 HydrophobicContact CD1-CB 4.3Å; I188-A204 HydrophobicContact CG2-CB 3.84Å; L190-A204 HydrophobicContact CD1-CB 4.07Å; A204-M253 HydrophobicContact CB-CB 4.39Å; A204-M253 HydrophobicContact CB-CG 4.09Å; A204-M253 HydrophobicContact CB-SD 3.57Å; A204-M253 VanDerWaalsContact CB-SD 3.57Å; A204-M253 WeakPolarHBondContact O-CG 3.46Å; A204-M253 PolarHBondContact O-N 2.63Å
205F98.5Very high97Very high0 Ų046.3 Ų46.30%028%0.277CS..EExtended strand (participates in β ladder)trans-130.1134.4-176.6-59.5-92.5000110.2A154 F163 L165 I188 V189 A191 L193 H203 V207 I247 N251 M252A154-F205 HydrophobicContact CB-CD1 4.37Å; A154-F205 HydrophobicContact CB-CD2 4.05Å; A154-F205 HydrophobicContact CB-CE1 3.83Å; A154-F205 HydrophobicContact CB-CE2 3.48Å; A154-F205 VanDerWaalsContact CB-CE2 3.48Å; A154-F205 HydrophobicContact CB-CG 4.47Å; A154-F205 HydrophobicContact CB-CZ 3.36Å; F163-F205 HydrophobicContact CB-CE1 4.48Å; F163-F205 AromaticContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD1-CE1 3.84Å; F163-F205 HydrophobicContact CD2-CD1 4.14Å; F163-F205 AromaticContact CD2-CE1 3.89Å; F163-F205 HydrophobicContact CD2-CE1 3.89Å; F163-F205 AromaticContact CE1-CE1 3.97Å; F163-F205 HydrophobicContact CE1-CE1 3.97Å; F163-F205 HydrophobicContact CE2-CE1 4.02Å; F163-F205 HydrophobicContact CG-CD1 4.23Å; F163-F205 AromaticContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CG-CE1 3.8Å; F163-F205 HydrophobicContact CZ-CE1 4.07Å; L165-F205 HydrophobicContact CD2-CB 4.32Å; I188-F205 CarbonylContact C-O 3.48Å; I188-F205 VanDerWaalsContact CA-O 3.31Å; I188-F205 WeakPolarHBondContact CA-O 3.44Å; V189-F205 PolarHBondContact N-O 3.04Å; V189-F205 PolarHBondContact O-N 3Å; A191-F205 HydrophobicContact CB-CD2 4.15Å; A191-F205 HydrophobicContact CB-CE2 4.06Å; L193-F205 HydrophobicContact CB-CZ 4.35Å; L193-F205 HydrophobicContact CD1-CZ 4.09Å; H203-F205 HydrophobicContact CB-CE2 3.68Å; H203-F205 HydrophobicContact CB-CZ 3.86Å; H203-F205 WeakPolarHBondContact O-CD2 3.4Å; H203-F205 VanDerWaalsContact O-CE2 3.3Å; H203-F205 WeakPolarHBondContact O-CE2 3.28Å; F205-V207 HydrophobicContact CB-CG2 4.29Å; F205-V207 PolarHBondContact O-N 3.14Å; F205-I247 HydrophobicContact CB-CD1 3.82Å; F205-I247 HydrophobicContact CD1-CD1 4.11Å; F205-I247 HydrophobicContact CG-CD1 4.37Å; F205-N251 WeakPolarHBondContact CA-O 3.11Å; F205-M252 HydrophobicContact CD1-CB 3.72Å; F205-M252 HydrophobicContact CD1-CG 4.17Å; F205-M252 HydrophobicContact CE1-CB 3.64Å; F205-M252 HydrophobicContact CE1-CG 3.75Å; F205-M252 HydrophobicContact CE1-SD 4.29Å; F205-M252 HydrophobicContact CZ-CG 4.31Å
206I98.7Very high97Very high0 Ų052.3 Ų52.30%031%0.305CS..EExtended strand (participates in β ladder)trans-85112.6174.8-57.8167.4000108.1L111 W123 I188 N251 M253L111-I206 HydrophobicContact CD2-CD1 3.6Å; L111-I206 HydrophobicContact CD2-CG1 4.25Å; W123-I206 HydrophobicContact CB-CD1 4.47Å; W123-I206 VanDerWaalsContact CD1-CD1 3.41Å; W123-I206 HydrophobicContact CD2-CD1 4.02Å; W123-I206 HydrophobicContact CD2-CG2 4.19Å; W123-I206 HydrophobicContact CE3-CG2 4.22Å; W123-I206 HydrophobicContact CG-CD1 3.75Å; W123-I206 HydrophobicContact CH2-CG2 3.96Å; W123-I206 HydrophobicContact CZ2-CB 4.47Å; W123-I206 HydrophobicContact CZ2-CG2 3.92Å; W123-I206 HydrophobicContact CZ3-CG2 4.12Å; I188-I206 HydrophobicContact CG1-CG1 4.35Å; I206-N251 HydrophobicContact CB-CB 4.43Å; I206-N251 PolarHBondContact N-O 2.97Å; I206-N251 WeakPolarHBondContact O-CB 3.47Å; I206-N251 PolarHBondContact O-ND2 2.81Å; I206-M253 HydrophobicContact CD1-CG 4.45Å; I206-M253 HydrophobicContact CG1-CG 4.24Å
207V98.8Very high97.1Very high0 Ų049.4 Ų49.40%029%0.293CS..EExtended strand (participates in β ladder)trans-116.3115.8-174.9-172.90000109.3L165 H186 A187 V189 F205 I209 L242 V245 I247L165-V207 HydrophobicContact CD2-CG2 3.65Å; H186-V207 CarbonylContact C-O 3.58Å; H186-V207 WeakPolarHBondContact CA-O 3.49Å; A187-V207 PolarHBondContact N-O 2.91Å; A187-V207 PolarHBondContact O-N 2.89Å; V189-V207 HydrophobicContact CB-CG2 3.89Å; V189-V207 HydrophobicContact CG2-CB 3.95Å; V189-V207 HydrophobicContact CG2-CG2 3.55Å; F205-V207 HydrophobicContact CB-CG2 4.29Å; F205-V207 PolarHBondContact O-N 3.14Å; V207-I209 HydrophobicContact CB-CG2 4.48Å; V207-I209 HydrophobicContact CG1-CG2 4.1Å; V207-I209 PolarHBondContact O-N 3.4Å; V207-L242 HydrophobicContact CG1-CD2 4.45Å; V207-V245 HydrophobicContact CG1-CG1 4.36Å; V207-I247 HydrophobicContact CG1-CG2 4.35Å; V207-I247 HydrophobicContact CG2-CD1 4.25Å
208P98.6Very high97.4Very high37 Ų3748.3 Ų48.324%0.2427%0.269CS..EExtended strand (participates in β ladder)trans-63.9128.1163.8-16.631.1000108.9L218P208-L218 HydrophobicContact CB-CD1 3.7Å
209I98.8Very high97.5Very high0 Ų049.5 Ų49.50%028%0.282CS..  trans-117.3-19-176.756.7168.8000112.9L180 S184 N185 A187 V207 P217 L218 I221 L240L180-I209 HydrophobicContact CD1-CD1 3.63Å; S184-I209 WeakPolarHBondContact O-CD1 3.26Å; N185-I209 VanDerWaalsContact C-CG1 3.44Å; N185-I209 VanDerWaalsContact O-CG1 3.23Å; N185-I209 WeakPolarHBondContact O-CG1 3.36Å; N185-I209 PolarHBondContact O-N 3.38Å; A187-I209 HydrophobicContact CB-CD1 4.31Å; A187-I209 HydrophobicContact CB-CG2 4.32Å; V207-I209 HydrophobicContact CB-CG2 4.48Å; V207-I209 HydrophobicContact CG1-CG2 4.1Å; V207-I209 PolarHBondContact O-N 3.4Å; I209-P217 WeakPolarHBondContact O-CA 3.5Å; I209-L218 PolarHBondContact O-N 3.38Å; I209-I221 HydrophobicContact CB-CG2 4.19Å; I209-I221 HydrophobicContact CG2-CD1 4.19Å; I209-L240 HydrophobicContact CG2-CD1 4.07Å; I209-L240 HydrophobicContact CG2-CD2 4.08Å
210R98.8Very high97.5Very high16 Ų1647.7 Ų47.76%0.0627%0.274CS..BIsolated β-bridgetrans-136.1149.9176.4-61.2175.6-179-78.1-5.3110.6G181 S184 N185 H215 Q216G181-R210 PolarHBondContact O-NH2 2.87Å; S184-R210 VanDerWaalsContact O-CD 3.24Å; S184-R210 WeakPolarHBondContact O-CD 3.47Å; S184-R210 PolarHBondContact O-NE 2.94Å; N185-R210 HydrophobicContact CB-CB 4.05Å; N185-R210 PolarHBondContact O-N 3.18Å; R210-H215 WeakPolarHBondContact CD-CE1 3.13Å; R210-H215 WeakPolarHBondContact CD-NE2 3.3Å; R210-H215 WeakPolarHBondContact CD-O 3.4Å; R210-H215 PolarHBondContact NH1-O 3.24Å; R210-Q216 CarbonylContact C-O 3.54Å; R210-Q216 VanDerWaalsContact CA-O 3.27Å; R210-Q216 WeakPolarHBondContact CA-O 3.36Å
211D98.4Very high97.7Very high56 Ų5645.5 Ų45.530%0.29926%0.264SS..  trans-62.1136.9169.8177-107000110.7T213 T214 H215 Q216 L218D211-T213 VanDerWaalsContact C-N 3.26Å; D211-T213 PolarHBondContact O-N 3.12Å; D211-T213 PolarHBondContact OD1-N 3.5Å; D211-T213 VanDerWaalsContact OD1-N 3.11Å; D211-T214 WeakPolarHBondContact CB-OG1 3.35Å; D211-T214 WeakPolarHBondContact OD1-CB 3.33Å; D211-T214 PolarHBondContact OD1-N 3.04Å; D211-T214 PolarHBondContact OD1-OG1 3.01Å; D211-H215 WeakPolarHBondContact O-CA 3.29Å; D211-H215 PolarHBondContact O-N 3.36Å; D211-Q216 PolarHBondContact N-O 3.2Å; D211-L218 HydrophobicContact CB-CD2 4.09Å
212M96.5Very high97.9Very high97 Ų9747.6 Ų47.648%0.47827%0.272SS..THydrogen-bonded Turntrans-72.7-18.8-172.1-67.7-67.9-69.200113.4Q131 V132 N185 H186Q131-M212 WeakPolarHBondContact O-CE 3.47Å; V132-M212 HydrophobicContact CG2-CE 3.95Å; N185-M212 HydrophobicContact CB-SD 4.13Å; N185-M212 VanDerWaalsContact CG-SD 3.57Å; N185-M212 PolarHBondContact ND2-SD 2.89Å; N185-M212 VanDerWaalsContact ND2-SD 3.43Å; H186-M212 VanDerWaalsContact CE1-SD 3.55Å
213T96.6Very high98.2Very high131 Ų13147 Ų4780%0.80427%0.27SS*.THydrogen-bonded Turntrans-101.9-46.1-177.2-580000111.8D211D211-T213 VanDerWaalsContact C-N 3.26Å; D211-T213 PolarHBondContact O-N 3.12Å; D211-T213 PolarHBondContact OD1-N 3.5Å; D211-T213 VanDerWaalsContact OD1-N 3.11Å
214T97.9Very high98.3Very high85 Ų8546.5 Ų46.552%0.52127%0.269SS..THydrogen-bonded Turntrans-96.8-15-174.464.10000113.2D211 Q216D211-T214 WeakPolarHBondContact CB-OG1 3.35Å; D211-T214 WeakPolarHBondContact OD1-CB 3.33Å; D211-T214 PolarHBondContact OD1-N 3.04Å; D211-T214 PolarHBondContact OD1-OG1 3.01Å; T214-Q216 PolarHBondContact O-N 3.19Å; T214-Q216 PolarHBondContact OG1-N 3.1Å
215H98.3Very high98.4Very high71 Ų7148 Ų4833%0.32928%0.276SS..  trans609.8-175.2-151.461000114.9K182 T183 R210 D211K182-H215 PolarHBondContact O-NE2 2.8Å; T183-H215 PolarHBondContact O-CE1 2.74Å; R210-H215 WeakPolarHBondContact CD-CE1 3.13Å; R210-H215 WeakPolarHBondContact CD-NE2 3.3Å; R210-H215 WeakPolarHBondContact CD-O 3.4Å; R210-H215 PolarHBondContact NH1-O 3.24Å; D211-H215 WeakPolarHBondContact O-CA 3.29Å; D211-H215 PolarHBondContact O-N 3.36Å
216Q98.6Very high98.4Very high127 Ų12749.4 Ų49.459%0.59328%0.284SS*.PPolyproline II helixtrans-68.2143.2173.7-68.3-63.2-22.800110R210 D211 T214 L218R210-Q216 CarbonylContact C-O 3.54Å; R210-Q216 VanDerWaalsContact CA-O 3.27Å; R210-Q216 WeakPolarHBondContact CA-O 3.36Å; D211-Q216 PolarHBondContact N-O 3.2Å; T214-Q216 PolarHBondContact O-N 3.19Å; T214-Q216 PolarHBondContact OG1-N 3.1Å; Q216-L218 PolarHBondContact O-N 3.01Å
217P98.8Very high98.4Very high50 Ų5050.2 Ų50.233%0.32529%0.292SS..BIsolated β-bridgetrans-54.2137.2172.6-24.334.7000111.7I209 I221 V223I209-P217 WeakPolarHBondContact O-CA 3.5Å; P217-I221 HydrophobicContact CB-CB 4.31Å; P217-I221 HydrophobicContact CB-CG2 4.29Å; P217-V223 HydrophobicContact CB-CG1 4.05Å; P217-V223 HydrophobicContact CG-CG1 3.81Å
218L98.8Very high98.4Very high53 Ų5355.5 Ų55.528%0.27733%0.326SS..PPolyproline II helixtrans-70.4159.9176-67.9172.6000111.2P208 I209 D211 Q216 G220 I221P208-L218 HydrophobicContact CB-CD1 3.7Å; I209-L218 PolarHBondContact O-N 3.38Å; D211-L218 HydrophobicContact CB-CD2 4.09Å; Q216-L218 PolarHBondContact O-N 3.01Å; L218-G220 PolarHBondContact O-N 3.24Å; L218-I221 HydrophobicContact CB-CG1 4.02Å; L218-I221 VanDerWaalsContact O-CB 3.22Å; L218-I221 WeakPolarHBondContact O-CB 3.41Å; L218-I221 WeakPolarHBondContact O-CG1 3.47Å; L218-I221 PolarHBondContact O-N 2.85Å
219P98.6Very high98.4Very high121 Ų12156 Ų5679%0.78632%0.324SS*.THydrogen-bonded Turntrans-52.5134.8176.8-27.435.8000112.8I221P219-I221 PolarHBondContact O-N 3.43Å
220G98.4Very high98.3Very high26 Ų2662.7 Ų62.727%0.26835%0.354SS..THydrogen-bonded Turntrans77.40.7-176.300000115L218 E243 V245L218-G220 PolarHBondContact O-N 3.24Å; G220-E243 PolarHBondContact O-N 3.36Å; G220-V245 WeakPolarHBondContact O-CG2 3.22Å
221I98.9Very high98.2Very high12 Ų1262.1 Ų62.16%0.06235%0.353CS..EExtended strand (participates in β ladder)trans-98.2122.9174.6-56.1-67000110.4I209 P217 L218 P219 V223 L240 L242 V245I209-I221 HydrophobicContact CB-CG2 4.19Å; I209-I221 HydrophobicContact CG2-CD1 4.19Å; P217-I221 HydrophobicContact CB-CB 4.31Å; P217-I221 HydrophobicContact CB-CG2 4.29Å; L218-I221 HydrophobicContact CB-CG1 4.02Å; L218-I221 VanDerWaalsContact O-CB 3.22Å; L218-I221 WeakPolarHBondContact O-CB 3.41Å; L218-I221 WeakPolarHBondContact O-CG1 3.47Å; L218-I221 PolarHBondContact O-N 2.85Å; P219-I221 PolarHBondContact O-N 3.43Å; I221-V223 HydrophobicContact CG2-CB 4.06Å; I221-V223 HydrophobicContact CG2-CG1 3.93Å; I221-L240 HydrophobicContact CD1-CD1 4.39Å; I221-L240 HydrophobicContact CG2-CD1 3.63Å; I221-L242 HydrophobicContact CD1-CD2 3.37Å; I221-V245 HydrophobicContact CD1-CG1 4.17Å; I221-V245 HydrophobicContact CD1-CG2 3.71Å; I221-V245 HydrophobicContact CG1-CG2 4.42Å
222V98.8Very high98.1Very high65 Ų6560.8 Ų60.839%0.39434%0.344SS..EExtended strand (participates in β ladder)trans-115.5113.8167-172.30000108.6F239 L240 K241V222-F239 HydrophobicContact CG1-CE2 4.33Å; V222-L240 WeakPolarHBondContact O-CA 3.46Å; V222-K241 HydrophobicContact CB-CB 4.16Å; V222-K241 PolarHBondContact N-O 3.25Å; V222-K241 PolarHBondContact O-N 3.02Å
223V98.8Very high98.1Very high18 Ų1857.6 Ų57.611%0.10933%0.329CS..EExtended strand (participates in β ladder)trans-139.3142.5-170.761.70000111.7L180 P217 I221 F239 L240L180-V223 HydrophobicContact CD1-CG2 4.25Å; L180-V223 HydrophobicContact CG-CG2 4.3Å; L180-V223 WeakPolarHBondContact O-CG2 3.33Å; P217-V223 HydrophobicContact CB-CG1 4.05Å; P217-V223 HydrophobicContact CG-CG1 3.81Å; I221-V223 HydrophobicContact CG2-CB 4.06Å; I221-V223 HydrophobicContact CG2-CG1 3.93Å; V223-F239 WeakPolarHBondContact CA-O 3.45Å; V223-F239 WeakPolarHBondContact CG2-O 3.44Å; V223-L240 HydrophobicContact CB-CD1 4.18Å; V223-L240 HydrophobicContact CG2-CD1 4.5Å
224G98.7Very high98.1Very high5 Ų551.6 Ų51.65%0.05229%0.292CS..EExtended strand (participates in β ladder)trans-172.7176.9179.300000113.3G181 G238 F239G181-G224 WeakPolarHBondContact CA-O 3.31Å; G224-G238 CarbonylContact O-C 3.58Å; G224-G238 WeakPolarHBondContact O-CA 3.41Å; G224-F239 VanDerWaalsContact C-CE1 3.48Å; G224-F239 PolarHBondContact N-O 3.02Å; G224-F239 WeakPolarHBondContact O-CD1 3.42Å; G224-F239 PolarHBondContact O-N 3.23Å
225D98.8Very high98.1Very high38 Ų3848 Ų4820%0.20327%0.27CS..EExtended strand (participates in β ladder)trans-80.1145.8177.6175.374.7000111.1R56 G227 F239R56-D225 IonicContact CZ-OD1 3.01Å; R56-D225 IonicContact CZ-OD2 3.85Å; R56-D225 VanDerWaalsContact CZ-OD2 3.25Å; R56-D225 IonicContact NH1-OD1 3.25Å; R56-D225 IonicContact NH1-OD2 2.92Å; R56-D225 PolarHBondContact NH1-OD2 2.73Å; R56-D225 IonicContact NH2-OD1 2.78Å; R56-D225 PolarHBondContact NH2-OD1 3.14Å; R56-D225 IonicContact NH2-OD2 2.85Å; R56-D225 PolarHBondContact NH2-OD2 3.4Å; D225-G227 VanDerWaalsContact C-N 3.31Å; D225-G227 PolarHBondContact O-N 3.49Å; D225-G227 WeakPolarHBondContact OD2-CA 3.4Å; D225-G227 PolarHBondContact OD2-N 3.02Å; D225-F239 WeakPolarHBondContact O-CE1 3.11Å
226I98.6Very high98.1Very high30 Ų3044.8 Ų44.815%0.15426%0.255CS..  trans-83.5-3.6-177.569.7-178.8000114.3W175 W176 K229 N237 G238 F239W175-I226 HydrophobicContact CD2-CG2 3.79Å; W175-I226 HydrophobicContact CE3-CG2 4.21Å; W175-I226 HydrophobicContact CG-CG2 4.27Å; W175-I226 HydrophobicContact CH2-CB 4.2Å; W175-I226 HydrophobicContact CH2-CG2 4.14Å; W175-I226 HydrophobicContact CZ2-CB 3.57Å; W175-I226 HydrophobicContact CZ2-CG2 3.72Å; W175-I226 HydrophobicContact CZ3-CG2 4.36Å; W176-I226 HydrophobicContact CD2-CD1 3.91Å; W176-I226 HydrophobicContact CE3-CD1 3.26Å; W176-I226 HydrophobicContact CH2-CD1 3.99Å; W176-I226 HydrophobicContact CZ3-CD1 3.32Å; I226-K229 HydrophobicContact CD1-CD 4.4Å; I226-N237 HydrophobicContact CD1-CB 3.58Å; I226-N237 HydrophobicContact CG1-CB 3.98Å; I226-N237 WeakPolarHBondContact CG1-O 3.43Å; I226-N237 PolarHBondContact N-O 3.1Å; I226-G238 WeakPolarHBondContact CG2-O 3.49Å; I226-F239 HydrophobicContact CG2-CB 4.24Å; I226-F239 HydrophobicContact CG2-CD1 4.4Å
227G98.2Very high98.1Very high17 Ų1739.5 Ų39.518%0.17523%0.231CC..  trans102.3-174179.800000114.9R56 D225R56-G227 PolarHBondContact NH2-O 2.89Å; D225-G227 VanDerWaalsContact C-N 3.31Å; D225-G227 PolarHBondContact O-N 3.49Å; D225-G227 WeakPolarHBondContact OD2-CA 3.4Å; D225-G227 PolarHBondContact OD2-N 3.02Å
228P98.1Very high98.1Very high111 Ų11137.1 Ų37.172%0.72122%0.216SC*.  trans-68.1151.7178.430-34.8000111.3
229K98.1Very high98.1Very high46 Ų4637.2 Ų37.220%0.221%0.214CC..  trans-133.4-176.5-176.9-53.5171.2-64.8-87.80108.9W176 I226 G231 F232 V235 N237W176-K229 HydrophobicContact CZ3-CD 3.89Å; W176-K229 HydrophobicContact CZ3-CG 4.36Å; I226-K229 HydrophobicContact CD1-CD 4.4Å; K229-G231 WeakPolarHBondContact CB-O 3.36Å; K229-G231 WeakPolarHBondContact CE-O 3.28Å; K229-F232 VanDerWaalsContact CE-CB 3.42Å; K229-F232 WeakPolarHBondContact CE-O 3.24Å; K229-F232 PolarHBondContact NZ-O 3.44Å; K229-V235 PolarHBondContact NZ-O 3.01Å; K229-N237 HydrophobicContact CD-CB 4.43Å; K229-N237 WeakPolarHBondContact CD-OD1 3.31Å; K229-N237 WeakPolarHBondContact CE-OD1 3.34Å; K229-N237 PolarHBondContact NZ-OD1 3.13Å
230F98.2Very high98.1Very high141 Ų14131.5 Ų31.562%0.61818%0.177SC*.SBendtrans-66-39.2176.3-168.5-163000112.8Y411 V412 T415F230-Y411 HydrophobicContact CE1-CD1 4.16Å; F230-Y411 AromaticContact CE1-CE1 3.72Å; F230-Y411 HydrophobicContact CE1-CE1 3.72Å; F230-Y411 HydrophobicContact CZ-CD1 4.14Å; F230-Y411 AromaticContact CZ-CE1 3.89Å; F230-Y411 HydrophobicContact CZ-CE1 3.89Å; F230-V412 HydrophobicContact CD1-CG1 4.09Å; F230-V412 HydrophobicContact CD2-CB 4.37Å; F230-V412 HydrophobicContact CD2-CG1 3.58Å; F230-V412 HydrophobicContact CE1-CG1 3.95Å; F230-V412 HydrophobicContact CE2-CG1 3.41Å; F230-V412 VanDerWaalsContact CE2-CG1 3.41Å; F230-V412 HydrophobicContact CG-CB 4.33Å; F230-V412 HydrophobicContact CG-CG1 3.92Å; F230-V412 HydrophobicContact CZ-CG1 3.62Å; F230-T415 HydrophobicContact CD1-CG2 3.96Å; F230-T415 HydrophobicContact CE1-CG2 4.22Å
231G96.6Very high98.1Very high4 Ų433.4 Ų33.44%0.04118%0.178CC..SBendtrans-144-151.4172.400000110K229 N233K229-G231 WeakPolarHBondContact CB-O 3.36Å; K229-G231 WeakPolarHBondContact CE-O 3.28Å; G231-N233 VanDerWaalsContact C-N 3.25Å; G231-N233 PolarHBondContact O-N 3.32Å
232F96.2Very high98.1Very high28 Ų2832.8 Ų32.812%0.12318%0.175CC..  trans55.140.6178.1-81.2-129.2000112Q97 K229 E234 V235 E413 P416 Y420Q97-F232 HydrophobicContact CB-CD1 4.17Å; Q97-F232 HydrophobicContact CB-CE1 4.24Å; Q97-F232 HydrophobicContact CB-CG 4.47Å; Q97-F232 HydrophobicContact CG-CD1 3.94Å; Q97-F232 HydrophobicContact CG-CD2 4.05Å; Q97-F232 HydrophobicContact CG-CE1 3.65Å; Q97-F232 HydrophobicContact CG-CE2 3.77Å; Q97-F232 HydrophobicContact CG-CG 4.14Å; Q97-F232 HydrophobicContact CG-CZ 3.56Å; K229-F232 VanDerWaalsContact CE-CB 3.42Å; K229-F232 WeakPolarHBondContact CE-O 3.24Å; K229-F232 PolarHBondContact NZ-O 3.44Å; F232-E234 PolarHBondContact O-N 3.1Å; F232-V235 HydrophobicContact CD1-CB 4.36Å; F232-V235 HydrophobicContact CD1-CG2 4.29Å; F232-V235 PolarHBondContact O-N 2.81Å; F232-E413 WeakPolarHBondContact CD2-OE2 3.25Å; F232-E413 VanDerWaalsContact CE2-O 3.23Å; F232-E413 WeakPolarHBondContact CE2-O 3.38Å; F232-E413 PolarHBondContact N-OE1 3.21Å; F232-E413 PolarHBondContact N-OE2 3.31Å; F232-P416 HydrophobicContact CD2-CG 4.08Å; F232-P416 HydrophobicContact CE2-CB 4.21Å; F232-P416 HydrophobicContact CE2-CG 3.68Å; F232-P416 HydrophobicContact CZ-CB 4.34Å; F232-P416 HydrophobicContact CZ-CG 4.29Å; F232-Y420 HydrophobicContact CZ-CE1 4.17Å
233N95.9Very high98.1Very high30 Ų3033.9 Ų33.916%0.1618%0.175CC..THydrogen-bonded Turntrans-72.8-22.7-174.3-74.7-53.4000112.4R56 G231 V235R56-N233 HydrophobicContact CG-CB 4.21Å; G231-N233 VanDerWaalsContact C-N 3.25Å; G231-N233 PolarHBondContact O-N 3.32Å; N233-V235 VanDerWaalsContact C-N 3.32Å
234E96.8Very high98.1Very high6 Ų638 Ų383%0.02820%0.197CC..THydrogen-bonded Turntrans-81.8-12.6178.9-6069.7-154.400112R59 A63 Q96 Q97 P99 F232R59-E234 HydrophobicContact CB-CG 4.16Å; R59-E234 WeakPolarHBondContact CD-OE1 3.49Å; R59-E234 IonicContact NH1-OE1 3.69Å; R59-E234 PolarHBondContact NH1-OE1 2.61Å; A63-E234 HydrophobicContact CB-CB 3.87Å; A63-E234 HydrophobicContact CB-CG 4.34Å; Q96-E234 HydrophobicContact CB-CG 4Å; Q96-E234 HydrophobicContact CG-CG 4.13Å; Q97-E234 VanDerWaalsContact O-CB 3.31Å; Q97-E234 WeakPolarHBondContact O-CB 3.12Å; P99-E234 WeakPolarHBondContact CG-O 3.46Å; F232-E234 PolarHBondContact O-N 3.1Å
235V97.4Very high98.1Very high9 Ų938.5 Ų38.56%0.05520%0.199CC..SBendtrans-107.4122.2-179.9-1770000110.5Q97 K229 F232 N233 N237Q97-V235 HydrophobicContact CB-CG2 3.44Å; Q97-V235 VanDerWaalsContact CB-CG2 3.44Å; K229-V235 PolarHBondContact NZ-O 3.01Å; F232-V235 HydrophobicContact CD1-CB 4.36Å; F232-V235 HydrophobicContact CD1-CG2 4.29Å; F232-V235 PolarHBondContact O-N 2.81Å; N233-V235 VanDerWaalsContact C-N 3.32Å; V235-N237 PolarHBondContact O-N 3.41Å; V235-N237 PolarHBondContact O-OD1 3.44Å
236D98.3Very high98.1Very high4 Ų442.4 Ų42.42%0.02121%0.211CC..  trans-78.165.8174.762.3-52.3000111.3Y60 G179 L180 G181 K182 T183 G238Y60-D236 HydrophobicContact CD2-CB 4.19Å; Y60-D236 HydrophobicContact CE2-CB 3.73Å; Y60-D236 WeakPolarHBondContact CE2-OD1 3.22Å; G179-D236 VanDerWaalsContact C-OD2 3.29Å; G179-D236 VanDerWaalsContact CA-OD1 3.26Å; G179-D236 WeakPolarHBondContact CA-OD1 3.17Å; G179-D236 WeakPolarHBondContact CA-OD2 3.37Å; G179-D236 PolarHBondContact N-O 3.49Å; G179-D236 PolarHBondContact N-OD1 2.95Å; L180-D236 PolarHBondContact N-O 2.85Å; G181-D236 PolarHBondContact N-O 2.91Å; G181-D236 PolarHBondContact N-OD2 3.23Å; K182-D236 WeakPolarHBondContact CA-OD2 3.15Å; K182-D236 HydrophobicContact CB-CB 4.32Å; K182-D236 PolarHBondContact N-OD2 2.94Å; T183-D236 WeakPolarHBondContact CB-OD2 3.43Å; T183-D236 PolarHBondContact N-OD2 3.27Å; T183-D236 PolarHBondContact OG1-OD1 2.65Å; T183-D236 PolarHBondContact OG1-OD2 2.94Å; D236-G238 PolarHBondContact O-N 2.99Å
237N98.8Very high98.1Very high16 Ų1641.1 Ų41.19%0.08620%0.204CC..  trans-55124169.8-62.3103.2000109.1W176 P177 I226 K229 V235W176-N237 WeakPolarHBondContact O-CB 3.41Å; W176-N237 PolarHBondContact O-ND2 3.4Å; P177-N237 WeakPolarHBondContact O-CA 3.13Å; I226-N237 HydrophobicContact CD1-CB 3.58Å; I226-N237 HydrophobicContact CG1-CB 3.98Å; I226-N237 WeakPolarHBondContact CG1-O 3.43Å; I226-N237 PolarHBondContact N-O 3.1Å; K229-N237 HydrophobicContact CD-CB 4.43Å; K229-N237 WeakPolarHBondContact CD-OD1 3.31Å; K229-N237 WeakPolarHBondContact CE-OD1 3.34Å; K229-N237 PolarHBondContact NZ-OD1 3.13Å; V235-N237 PolarHBondContact O-N 3.41Å; V235-N237 PolarHBondContact O-OD1 3.44Å
238G98.7Very high98.1Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-113.8166.8-167.600000115.1W176 P177 G224 I226 D236W176-G238 PolarHBondContact N-O 3.18Å; P177-G238 PolarHBondContact O-N 2.96Å; G224-G238 CarbonylContact O-C 3.58Å; G224-G238 WeakPolarHBondContact O-CA 3.41Å; I226-G238 WeakPolarHBondContact CG2-O 3.49Å; D236-G238 PolarHBondContact O-N 2.99Å
239F98.9Very high98.1Very high55 Ų5539.5 Ų39.524%0.24119%0.186CC..EExtended strand (participates in β ladder)trans-109.1151.2160.366.8-100.1000110.9I173 K174 W175 V222 V223 G224 D225 I226I173-F239 HydrophobicContact CG2-CB 3.95Å; I173-F239 HydrophobicContact CG2-CD2 4.48Å; K174-F239 CarbonylContact O-C 3.58Å; K174-F239 WeakPolarHBondContact O-CA 3.43Å; K174-F239 WeakPolarHBondContact O-CB 3.47Å; W175-F239 HydrophobicContact CD2-CB 4.39Å; W175-F239 HydrophobicContact CE3-CB 3.55Å; W175-F239 HydrophobicContact CE3-CG 4.49Å; W175-F239 HydrophobicContact CZ3-CB 3.77Å; W175-F239 HydrophobicContact CZ3-CD1 4.23Å; W175-F239 HydrophobicContact CZ3-CG 4.24Å; V222-F239 HydrophobicContact CG1-CE2 4.33Å; V223-F239 WeakPolarHBondContact CA-O 3.45Å; V223-F239 WeakPolarHBondContact CG2-O 3.44Å; G224-F239 VanDerWaalsContact C-CE1 3.48Å; G224-F239 PolarHBondContact N-O 3.02Å; G224-F239 WeakPolarHBondContact O-CD1 3.42Å; G224-F239 PolarHBondContact O-N 3.23Å; D225-F239 WeakPolarHBondContact O-CE1 3.11Å; I226-F239 HydrophobicContact CG2-CB 4.24Å; I226-F239 HydrophobicContact CG2-CD1 4.4Å
240L98.9Very high98.1Very high0 Ų041.1 Ų41.10%019%0.194CC..EExtended strand (participates in β ladder)trans-143.3119.8175170.471.9000110.5K174 L180 V189 I209 I221 V222 V223 L242K174-L240 HydrophobicContact CB-CB 4.06Å; K174-L240 PolarHBondContact N-O 3.49Å; K174-L240 PolarHBondContact O-N 3.41Å; L180-L240 HydrophobicContact CD1-CB 4.1Å; L180-L240 HydrophobicContact CD1-CD2 4.22Å; L180-L240 HydrophobicContact CD2-CB 3.76Å; L180-L240 HydrophobicContact CG-CB 4.27Å; V189-L240 HydrophobicContact CG2-CD2 4.05Å; I209-L240 HydrophobicContact CG2-CD1 4.07Å; I209-L240 HydrophobicContact CG2-CD2 4.08Å; I221-L240 HydrophobicContact CD1-CD1 4.39Å; I221-L240 HydrophobicContact CG2-CD1 3.63Å; V222-L240 WeakPolarHBondContact O-CA 3.46Å; V223-L240 HydrophobicContact CB-CD1 4.18Å; V223-L240 HydrophobicContact CG2-CD1 4.5Å; L240-L242 HydrophobicContact CD1-CD2 3.86Å; L240-L242 HydrophobicContact CD2-CD2 4.09Å; L240-L242 HydrophobicContact CG-CD2 3.94Å; L240-L242 HydrophobicContact CG-CG 4.31Å
241K98.9Very high98.1Very high66 Ų6634.6 Ų34.629%0.28717%0.166SC..EExtended strand (participates in β ladder)trans-109.2133.4170-176.5-166.5-179.3-1620108.6I173 V222 E243I173-K241 HydrophobicContact CD1-CB 4.18Å; I173-K241 HydrophobicContact CD1-CD 4.31Å; I173-K241 HydrophobicContact CD1-CG 4.31Å; I173-K241 HydrophobicContact CG1-CB 3.94Å; I173-K241 HydrophobicContact CG1-CG 4.07Å; I173-K241 HydrophobicContact CG2-CB 4.45Å; V222-K241 HydrophobicContact CB-CB 4.16Å; V222-K241 PolarHBondContact N-O 3.25Å; V222-K241 PolarHBondContact O-N 3.02Å; K241-E243 HydrophobicContact CD-CG 4.32Å; K241-E243 WeakPolarHBondContact CE-OE1 3.36Å; K241-E243 HydrophobicContact CG-CG 4.47Å; K241-E243 IonicContact NZ-OE1 2.69Å; K241-E243 PolarHBondContact NZ-OE1 3.24Å
242L98.9Very high98.2Very high0 Ų034.4 Ų34.40%016%0.164CC..EExtended strand (participates in β ladder)trans-110124179.1-57173.8000108.8T152 L165 N166 S167 V189 V207 I221 L240 V245T152-L242 HydrophobicContact CG2-CD1 4.3Å; L165-L242 HydrophobicContact CB-CB 4.48Å; L165-L242 HydrophobicContact CB-CD1 3.76Å; L165-L242 HydrophobicContact CD2-CD1 3.82Å; L165-L242 HydrophobicContact CG-CD1 4.46Å; N166-L242 WeakPolarHBondContact CA-O 3.23Å; N166-L242 PolarHBondContact OD1-O 3.34Å; S167-L242 PolarHBondContact N-O 3.33Å; S167-L242 PolarHBondContact OG-N 2.84Å; V189-L242 HydrophobicContact CG1-CD1 4.14Å; V207-L242 HydrophobicContact CG1-CD2 4.45Å; I221-L242 HydrophobicContact CD1-CD2 3.37Å; L240-L242 HydrophobicContact CD1-CD2 3.86Å; L240-L242 HydrophobicContact CD2-CD2 4.09Å; L240-L242 HydrophobicContact CG-CD2 3.94Å; L240-L242 HydrophobicContact CG-CG 4.31Å; L242-V245 HydrophobicContact CB-CG2 4.15Å; L242-V245 HydrophobicContact CD2-CG2 4.1Å
243E98.6Very high98.2Very high87 Ų8733.6 Ų33.641%0.40716%0.161SC..SBendtrans-110.385.5179.8-60.2-175.616100109.5G220 K241 V245G220-E243 PolarHBondContact O-N 3.36Å; K241-E243 HydrophobicContact CD-CG 4.32Å; K241-E243 WeakPolarHBondContact CE-OE1 3.36Å; K241-E243 HydrophobicContact CG-CG 4.47Å; K241-E243 IonicContact NZ-OE1 2.69Å; K241-E243 PolarHBondContact NZ-OE1 3.24Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 2.89Å
244N98.4Very high98.1Very high106 Ų10632.6 Ų32.657%0.56716%0.155SC*.SBendtrans49.646.1-177.6-58.9-56.1000114.1V164 L165 N166 R246V164-N244 HydrophobicContact CG1-CB 3.92Å; L165-N244 CarbonylContact O-C 3.39Å; L165-N244 VanDerWaalsContact O-CA 3.29Å; L165-N244 WeakPolarHBondContact O-CA 3.43Å; L165-N244 PolarHBondContact O-N 3.27Å; N166-N244 PolarHBondContact OD1-N 2.88Å; N166-N244 PolarHBondContact OD1-OD1 3.39Å; N244-R246 PolarHBondContact O-N 3.38Å
245V98.8Very high97.9Very high15 Ų1536.5 Ų36.59%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-73.6122.7-177.2175.30000109.9L165 V207 G220 I221 L242 E243 I247L165-V245 PolarHBondContact N-O 3.02Å; L165-V245 PolarHBondContact O-N 3.09Å; V207-V245 HydrophobicContact CG1-CG1 4.36Å; G220-V245 WeakPolarHBondContact O-CG2 3.22Å; I221-V245 HydrophobicContact CD1-CG1 4.17Å; I221-V245 HydrophobicContact CD1-CG2 3.71Å; I221-V245 HydrophobicContact CG1-CG2 4.42Å; L242-V245 HydrophobicContact CB-CG2 4.15Å; L242-V245 HydrophobicContact CD2-CG2 4.1Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 2.89Å; V245-I247 HydrophobicContact CG1-CG2 4.45Å
246R98.7Very high97.5Very high119 Ų11938.7 Ų38.745%0.44918%0.179SC..EExtended strand (participates in β ladder)trans-90131.9178.4-75174.1172.7-87-2.6111.4D157 T160 E162 F163 V164 N244D157-R246 IonicContact OD2-CZ 2.95Å; D157-R246 IonicContact OD2-NH1 3.26Å; D157-R246 PolarHBondContact OD2-NH1 2.72Å; D157-R246 IonicContact OD2-NH2 2.98Å; D157-R246 PolarHBondContact OD2-NH2 3.15Å; T160-R246 PolarHBondContact OG1-NH1 3Å; T160-R246 VanDerWaalsContact OG1-NH1 3.09Å; E162-R246 WeakPolarHBondContact OE2-CD 3.28Å; E162-R246 IonicContact OE2-CZ 3.2Å; E162-R246 IonicContact OE2-NH1 3.84Å; E162-R246 PolarHBondContact OE2-NH1 3.03Å; F163-R246 WeakPolarHBondContact O-CA 3.44Å; V164-R246 HydrophobicContact CG2-CG 4.07Å; N244-R246 PolarHBondContact O-N 3.38Å
247I98.7Very high97.3Very high4 Ų438.8 Ų38.82%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-130.7150.3171.266.2176.5000110.3E162 F163 L165 F205 V207 V245 N251E162-I247 CarbonylContact C-O 3.52Å; E162-I247 WeakPolarHBondContact CA-O 3.5Å; E162-I247 VanDerWaalsContact CB-O 3.31Å; E162-I247 WeakPolarHBondContact CB-O 3.28Å; F163-I247 HydrophobicContact CB-CD1 4.42Å; F163-I247 HydrophobicContact CB-CG1 3.89Å; F163-I247 PolarHBondContact N-O 2.94Å; F163-I247 PolarHBondContact O-N 3.08Å; L165-I247 HydrophobicContact CD1-CD1 3.4Å; L165-I247 HydrophobicContact CD1-CG1 3.54Å; L165-I247 HydrophobicContact CD1-CG2 4.34Å; F205-I247 HydrophobicContact CB-CD1 3.82Å; F205-I247 HydrophobicContact CD1-CD1 4.11Å; F205-I247 HydrophobicContact CG-CD1 4.37Å; V207-I247 HydrophobicContact CG1-CG2 4.35Å; V207-I247 HydrophobicContact CG2-CD1 4.25Å; V245-I247 HydrophobicContact CG1-CG2 4.45Å; I247-N251 HydrophobicContact CB-CB 4.27Å; I247-N251 HydrophobicContact CD1-CB 3.81Å; I247-N251 HydrophobicContact CG1-CB 4.21Å
248P98.4Very high97.1Very high57 Ų5742.3 Ų42.337%0.3720%0.195SC..EExtended strand (participates in β ladder)trans-57.3150175.2-24.934.5000112.5E250 N251P248-E250 PolarHBondContact O-N 3.26Å; P248-E250 VanDerWaalsContact O-N 3.16Å; P248-N251 WeakPolarHBondContact O-CB 3.46Å; P248-N251 PolarHBondContact O-N 2.67Å
249R98.2Very high97Very high36 Ų3642.3 Ų42.314%0.13620%0.195CC..G310 helixtrans-50.8-39.9174.6-173.6-173.267.897.67.3112.2Y156 Q161 F163 N251 M252 M254 V259Y156-R249 HydrophobicContact CD2-CG 4.48Å; Y156-R249 HydrophobicContact CE2-CB 3.94Å; Y156-R249 HydrophobicContact CE2-CG 3.64Å; Y156-R249 WeakPolarHBondContact OH-CD 3.23Å; Q161-R249 VanDerWaalsContact O-CB 3.29Å; Q161-R249 WeakPolarHBondContact O-CB 3.33Å; Q161-R249 PolarHBondContact O-N 3.39Å; F163-R249 HydrophobicContact CE2-CB 4.37Å; F163-R249 HydrophobicContact CE2-CG 4.07Å; F163-R249 WeakPolarHBondContact CE2-O 3.44Å; R249-N251 PolarHBondContact O-N 2.97Å; R249-M252 PolarHBondContact O-N 3.39Å; R249-M252 VanDerWaalsContact O-N 3.13Å; R249-M254 HydrophobicContact CG-CE 3.88Å; R249-M254 WeakPolarHBondContact O-CE 3.41Å; R249-V259 PolarHBondContact NH1-O 3.31Å
250E97.5Very high96.9Very high80 Ų8043.2 Ų43.237%0.37420%0.2SC..G310 helixtrans-67.1-5.9-178.4-62.667.3-143.400113.5Q119 P248Q119-E250 PolarHBondContact NE2-O 2.97Å; P248-E250 PolarHBondContact O-N 3.26Å; P248-E250 VanDerWaalsContact O-N 3.16Å
251N98.4Very high96.8Very high4 Ų445.9 Ų45.92%0.02122%0.217CC..G310 helixtrans-86.1-12.4174.2-74.728.4000113.4F205 I206 I247 P248 R249F205-N251 WeakPolarHBondContact CA-O 3.11Å; I206-N251 HydrophobicContact CB-CB 4.43Å; I206-N251 PolarHBondContact N-O 2.97Å; I206-N251 WeakPolarHBondContact O-CB 3.47Å; I206-N251 PolarHBondContact O-ND2 2.81Å; I247-N251 HydrophobicContact CB-CB 4.27Å; I247-N251 HydrophobicContact CD1-CB 3.81Å; I247-N251 HydrophobicContact CG1-CB 4.21Å; P248-N251 WeakPolarHBondContact O-CB 3.46Å; P248-N251 PolarHBondContact O-N 2.67Å; R249-N251 PolarHBondContact O-N 2.97Å
252M98Very high96.7Very high0 Ų047.4 Ų47.40%023%0.228CC..BIsolated β-bridgetrans-70.6128.8166.2174.9-175.1168.200109.4Q119 F163 L193 H203 F205 R249 M254 V259Q119-M252 PolarHBondContact NE2-O 3.28Å; F163-M252 HydrophobicContact CD2-CB 4.22Å; F163-M252 HydrophobicContact CE1-SD 4.43Å; F163-M252 HydrophobicContact CE2-CB 3.5Å; F163-M252 HydrophobicContact CE2-CG 4.37Å; F163-M252 HydrophobicContact CE2-SD 4.15Å; F163-M252 HydrophobicContact CZ-CB 3.99Å; F163-M252 HydrophobicContact CZ-CG 4.38Å; F163-M252 HydrophobicContact CZ-SD 3.63Å; L193-M252 HydrophobicContact CD1-SD 4.48Å; L193-M252 HydrophobicContact CD2-CE 3.7Å; L193-M252 HydrophobicContact CD2-SD 4.18Å; H203-M252 HydrophobicContact CB-CE 4.33Å; H203-M252 WeakPolarHBondContact CD2-CE 3.31Å; F205-M252 HydrophobicContact CD1-CB 3.72Å; F205-M252 HydrophobicContact CD1-CG 4.17Å; F205-M252 HydrophobicContact CE1-CB 3.64Å; F205-M252 HydrophobicContact CE1-CG 3.75Å; F205-M252 HydrophobicContact CE1-SD 4.29Å; F205-M252 HydrophobicContact CZ-CG 4.31Å; R249-M252 PolarHBondContact O-N 3.39Å; R249-M252 VanDerWaalsContact O-N 3.13Å; M252-M254 HydrophobicContact CB-CE 3.89Å; M252-M254 HydrophobicContact CB-CG 4.47Å; M252-M254 HydrophobicContact CG-CE 4.25Å; M252-M254 HydrophobicContact CG-CG 4.24Å; M252-M254 VanDerWaalsContact O-CG 3.3Å; M252-M254 WeakPolarHBondContact O-CG 3.3Å; M252-M254 PolarHBondContact O-N 3.24Å; M252-M254 HydrophobicContact SD-CE 3.99Å; M252-M254 HydrophobicContact SD-CG 4.43Å; M252-V259 HydrophobicContact CE-CG2 4.08Å; M252-V259 HydrophobicContact SD-CB 4.17Å; M252-V259 HydrophobicContact SD-CG2 3.62Å
253M96.4Very high96.6Very high12 Ų1247.4 Ų47.46%0.05923%0.229CC..  trans-74109.9-176.2-54.7-177.588.600111.8S110 L111 L114 C115 I188 A204 I206S110-M253 VanDerWaalsContact O-CE 3.27Å; S110-M253 WeakPolarHBondContact O-CE 2.96Å; L111-M253 HydrophobicContact CD2-CE 3.93Å; L114-M253 HydrophobicContact CB-CB 3.86Å; L114-M253 HydrophobicContact CB-CE 3.69Å; L114-M253 HydrophobicContact CB-CG 4.49Å; L114-M253 HydrophobicContact CB-SD 3.9Å; L114-M253 HydrophobicContact CD1-SD 4.04Å; L114-M253 CarbonylContact O-C 3.38Å; C115-M253 VanDerWaalsContact SG-CE 3.51Å; I188-M253 HydrophobicContact CD1-CE 4.06Å; I188-M253 HydrophobicContact CD1-SD 4.09Å; I188-M253 HydrophobicContact CG1-SD 4.31Å; I188-M253 HydrophobicContact CG2-SD 4.02Å; A204-M253 HydrophobicContact CB-CB 4.39Å; A204-M253 HydrophobicContact CB-CG 4.09Å; A204-M253 HydrophobicContact CB-SD 3.57Å; A204-M253 VanDerWaalsContact CB-SD 3.57Å; A204-M253 WeakPolarHBondContact O-CG 3.46Å; A204-M253 PolarHBondContact O-N 2.63Å; I206-M253 HydrophobicContact CD1-CG 4.45Å; I206-M253 HydrophobicContact CG1-CG 4.24Å
254M95.6Very high96.5Very high9 Ų946.2 Ų46.24%0.04423%0.228CC..  trans-107.714.7-158-82.8-167.4-155.700116.8L114 R249 M252 Y256 S257 K258 V259L114-M254 PolarHBondContact O-N 2.78Å; R249-M254 HydrophobicContact CG-CE 3.88Å; R249-M254 WeakPolarHBondContact O-CE 3.41Å; M252-M254 HydrophobicContact CB-CE 3.89Å; M252-M254 HydrophobicContact CB-CG 4.47Å; M252-M254 HydrophobicContact CG-CE 4.25Å; M252-M254 HydrophobicContact CG-CG 4.24Å; M252-M254 VanDerWaalsContact O-CG 3.3Å; M252-M254 WeakPolarHBondContact O-CG 3.3Å; M252-M254 PolarHBondContact O-N 3.24Å; M252-M254 HydrophobicContact SD-CE 3.99Å; M252-M254 HydrophobicContact SD-CG 4.43Å; M254-Y256 PolarHBondContact O-N 2.85Å; M254-S257 CarbonylContact C-O 3.59Å; M254-S257 WeakPolarHBondContact CA-O 3.43Å; M254-K258 HydrophobicContact CB-CG 4.22Å; M254-K258 HydrophobicContact CG-CB 4.48Å; M254-K258 HydrophobicContact CG-CG 4.43Å; M254-K258 HydrophobicContact SD-CB 4.15Å; M254-K258 HydrophobicContact SD-CG 4.44Å; M254-V259 HydrophobicContact CE-CB 4.43Å
255K92.1Very high96.5Very high87 Ų8744 Ų4438%0.37821%0.212SC..SBendtrans-61.9-42.8-177.7-168-175.6-172.7175.50113.4R113 L114R113-K255 WeakPolarHBondContact O-CD 3.4Å; R113-K255 PolarHBondContact O-NZ 2.92Å; L114-K255 WeakPolarHBondContact O-CB 3.42Å; L114-K255 PolarHBondContact O-N 2.66Å
256Y89.2Confident96.3Very high55 Ų5546.2 Ų46.222%0.21623%0.225CC..SBendtrans-106.9-25.6-175.7-59.9-61.5000113.3R113 L114 M254 P268 L273R113-Y256 WeakPolarHBondContact O-CE2 3.38Å; L114-Y256 HydrophobicContact CD2-CD2 4.02Å; L114-Y256 HydrophobicContact CD2-CE2 4.05Å; M254-Y256 PolarHBondContact O-N 2.85Å; Y256-P268 WeakPolarHBondContact O-CA 3.44Å; Y256-P268 VanDerWaalsContact O-CB 3.26Å; Y256-P268 WeakPolarHBondContact O-CB 3.38Å; Y256-L273 HydrophobicContact CD1-CB 4.46Å; Y256-L273 HydrophobicContact CD1-CD1 3.78Å; Y256-L273 HydrophobicContact CD2-CB 4.03Å; Y256-L273 HydrophobicContact CE1-CB 4.46Å; Y256-L273 HydrophobicContact CE1-CD1 3.82Å; Y256-L273 HydrophobicContact CE2-CB 4.03Å; Y256-L273 HydrophobicContact CG-CB 4.25Å; Y256-L273 HydrophobicContact CG-CD1 4.3Å
257S92.6Very high96Very high6 Ų648.6 Ų48.64%0.04224%0.239CC..  trans-138.9144.4-178.3-52.60000109.1M254 V266 P268M254-S257 CarbonylContact C-O 3.59Å; M254-S257 WeakPolarHBondContact CA-O 3.43Å; S257-V266 VanDerWaalsContact CA-O 3.26Å; S257-V266 WeakPolarHBondContact CA-O 3.43Å; S257-P268 WeakPolarHBondContact OG-CB 3.49Å; S257-P268 VanDerWaalsContact OG-CD 3.23Å; S257-P268 WeakPolarHBondContact OG-CD 3.13Å; S257-P268 WeakPolarHBondContact OG-CG 3.39Å
258K94.8Very high95.4Very high90 Ų9049.8 Ų49.839%0.39125%0.247SC..EExtended strand (participates in β ladder)trans-133.7153.1-173.1-54-175.8178.5-178.80111.7M254 Y265 V266M254-K258 HydrophobicContact CB-CG 4.22Å; M254-K258 HydrophobicContact CG-CB 4.48Å; M254-K258 HydrophobicContact CG-CG 4.43Å; M254-K258 HydrophobicContact SD-CB 4.15Å; M254-K258 HydrophobicContact SD-CG 4.44Å; K258-Y265 CarbonylContact O-C 3.55Å; K258-Y265 WeakPolarHBondContact O-CA 3.09Å; K258-Y265 WeakPolarHBondContact O-CD2 3.23Å; K258-V266 HydrophobicContact CB-CB 4.06Å; K258-V266 HydrophobicContact CB-CG2 4.29Å; K258-V266 PolarHBondContact N-O 3.1Å; K258-V266 PolarHBondContact O-N 2.92Å
259V97.3Very high94.5Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-121.4114164176.30000106.5Y156 F163 L193 R249 M252 M254 T264 Y265Y156-V259 HydrophobicContact CD1-CG1 3.82Å; Y156-V259 HydrophobicContact CD2-CG1 4.19Å; Y156-V259 HydrophobicContact CE1-CG1 4.03Å; Y156-V259 HydrophobicContact CE2-CG1 4.39Å; Y156-V259 HydrophobicContact CG-CG1 3.92Å; F163-V259 HydrophobicContact CZ-CB 4.08Å; F163-V259 HydrophobicContact CZ-CG1 4.31Å; F163-V259 HydrophobicContact CZ-CG2 4.11Å; L193-V259 HydrophobicContact CD1-CG2 4.15Å; L193-V259 HydrophobicContact CD2-CG2 3.86Å; R249-V259 PolarHBondContact NH1-O 3.31Å; M252-V259 HydrophobicContact CE-CG2 4.08Å; M252-V259 HydrophobicContact SD-CB 4.17Å; M252-V259 HydrophobicContact SD-CG2 3.62Å; M254-V259 HydrophobicContact CE-CB 4.43Å; V259-T264 WeakPolarHBondContact CA-O 3.46Å; V259-Y265 HydrophobicContact CG2-CD2 4.17Å
260E97.2Very high93.5Very high75 Ų7551.9 Ų51.935%0.3527%0.266SS..  trans-68.9161.8177.4-63-5916100110.8D262 G263 T264 V266E260-D262 WeakPolarHBondContact CB-OD1 3.39Å; E260-D262 PolarHBondContact O-N 3.23Å; E260-D262 VanDerWaalsContact O-N 3.12Å; E260-G263 WeakPolarHBondContact O-CA 3.31Å; E260-G263 PolarHBondContact O-N 3.41Å; E260-T264 PolarHBondContact N-O 3.23Å; E260-V266 HydrophobicContact CG-CG2 4.45Å
261P97.3Very high92.3Very high55 Ų5552.4 Ų52.436%0.35728%0.278SS..THydrogen-bonded Turntrans-53.9-32.6-178.1-29.737.2000114.5Y156 G263Y156-P261 WeakPolarHBondContact OH-CA 3.16Å; Y156-P261 PolarHBondContact OH-O 2.78Å; P261-G263 VanDerWaalsContact C-N 3.25Å; P261-G263 PolarHBondContact O-N 2.95Å
262D96.5Very high91Very high98 Ų9856.6 Ų56.652%0.52430%0.296SS..THydrogen-bonded Turntrans-77.4-6.2177.369.5-10.8000114.1E260 T264E260-D262 WeakPolarHBondContact CB-OD1 3.39Å; E260-D262 PolarHBondContact O-N 3.23Å; E260-D262 VanDerWaalsContact O-N 3.12Å; D262-T264 VanDerWaalsContact CG-OG1 3.27Å; D262-T264 VanDerWaalsContact OD1-CB 3.22Å; D262-T264 WeakPolarHBondContact OD1-CB 3.1Å; D262-T264 PolarHBondContact OD1-N 3.25Å; D262-T264 PolarHBondContact OD1-OG1 3.41Å; D262-T264 PolarHBondContact OD2-OG1 3.18Å
263G96.3Very high89.8Confident1 Ų157.1 Ų57.11%0.0130%0.299CS..  trans95.51-176.900000114.7Y156 S195 E260 P261 Y265Y156-G263 VanDerWaalsContact CE1-CA 3.45Å; S195-G263 WeakPolarHBondContact CB-O 3.41Å; S195-G263 WeakPolarHBondContact OG-CA 3.25Å; S195-G263 PolarHBondContact OG-O 3.37Å; E260-G263 WeakPolarHBondContact O-CA 3.31Å; E260-G263 PolarHBondContact O-N 3.41Å; P261-G263 VanDerWaalsContact C-N 3.25Å; P261-G263 PolarHBondContact O-N 2.95Å; G263-Y265 PolarHBondContact O-N 3.02Å
264T97.3Very high88.5Confident62 Ų6258.5 Ų58.538%0.3831%0.308SS..  trans-65.1126178.5-62.60000111.2V259 E260 D262V259-T264 WeakPolarHBondContact CA-O 3.46Å; E260-T264 PolarHBondContact N-O 3.23Å; D262-T264 VanDerWaalsContact CG-OG1 3.27Å; D262-T264 VanDerWaalsContact OD1-CB 3.22Å; D262-T264 WeakPolarHBondContact OD1-CB 3.1Å; D262-T264 PolarHBondContact OD1-N 3.25Å; D262-T264 PolarHBondContact OD1-OG1 3.41Å; D262-T264 PolarHBondContact OD2-OG1 3.18Å
265Y97.3Very high87.2Confident58 Ų5861.7 Ų61.723%0.22732%0.32CS..EExtended strand (participates in β ladder)trans-91.3132.9179.1175.9-106.4000112.8L193 H200 H203 K258 V259 G263 K267L193-Y265 HydrophobicContact CD2-CD2 3.83Å; L193-Y265 HydrophobicContact CD2-CE2 3.79Å; H200-Y265 HydrophobicContact CB-CD1 4.2Å; H200-Y265 HydrophobicContact CB-CD2 4.22Å; H200-Y265 HydrophobicContact CB-CE1 4.04Å; H200-Y265 HydrophobicContact CB-CE2 4.08Å; H200-Y265 HydrophobicContact CB-CG 4.27Å; H200-Y265 AromaticContact CD2-CG 3.77Å; H200-Y265 AromaticContact CE1-CD1 3.85Å; H200-Y265 AromaticContact CE1-CG 3.96Å; H200-Y265 AromaticContact CG-CD1 3.7Å; H200-Y265 AromaticContact CG-CG 3.69Å; H200-Y265 AromaticContact ND1-CD1 3.46Å; H200-Y265 WeakPolarHBondContact ND1-CD1 3.41Å; H200-Y265 AromaticContact ND1-CE1 3.95Å; H200-Y265 AromaticContact ND1-CG 3.82Å; H200-Y265 AromaticContact NE2-CG 3.94Å; H203-Y265 AromaticContact CE1-CE2 3.81Å; H203-Y265 AromaticContact CE1-CZ 3.93Å; H203-Y265 PolarHBondContact CE1-OH 3.12Å; H203-Y265 AromaticContact NE2-CE2 3.55Å; H203-Y265 AromaticContact NE2-CZ 3.8Å; H203-Y265 PolarHBondContact NE2-OH 3Å; K258-Y265 CarbonylContact O-C 3.55Å; K258-Y265 WeakPolarHBondContact O-CA 3.09Å; K258-Y265 WeakPolarHBondContact O-CD2 3.23Å; V259-Y265 HydrophobicContact CG2-CD2 4.17Å; G263-Y265 PolarHBondContact O-N 3.02Å; Y265-K267 HydrophobicContact CE1-CB 4.18Å
266V95.3Very high86.3Confident62 Ų6258.3 Ų58.338%0.37631%0.31SS..EExtended strand (participates in β ladder)trans-112.9120.2176.7-174.10000110.1S257 K258 E260S257-V266 VanDerWaalsContact CA-O 3.26Å; S257-V266 WeakPolarHBondContact CA-O 3.43Å; K258-V266 HydrophobicContact CB-CB 4.06Å; K258-V266 HydrophobicContact CB-CG2 4.29Å; K258-V266 PolarHBondContact N-O 3.1Å; K258-V266 PolarHBondContact O-N 2.92Å; E260-V266 HydrophobicContact CG-CG2 4.45Å
267K91.1Very high85.7Confident169 Ų16956 Ų5674%0.73530%0.301SS*.  trans-76.3153-175.667.6-177.3178.6-177.30113.8Y265Y265-K267 HydrophobicContact CE1-CB 4.18Å
268P86.3Confident85.2Confident29 Ų2956.3 Ų56.319%0.18830%0.302CS..  trans-79.2160.6176.432.7-32.6000113.6Y256 S257 S270Y256-P268 WeakPolarHBondContact O-CA 3.44Å; Y256-P268 VanDerWaalsContact O-CB 3.26Å; Y256-P268 WeakPolarHBondContact O-CB 3.38Å; S257-P268 WeakPolarHBondContact OG-CB 3.49Å; S257-P268 VanDerWaalsContact OG-CD 3.23Å; S257-P268 WeakPolarHBondContact OG-CD 3.13Å; S257-P268 WeakPolarHBondContact OG-CG 3.39Å; P268-S270 VanDerWaalsContact C-N 3.26Å; P268-S270 PolarHBondContact O-N 3.14Å
269P80.4Confident84.7Confident106 Ų10652.3 Ų52.369%0.68829%0.285SS*.SBendtrans-60.7-34.6172.1-23.133.5000113.2
270S76.4Confident84.1Confident31 Ų3154.7 Ų54.722%0.21730%0.296CS..  trans-147.3132.3176.5172.50000109.9P268 K272 L273P268-S270 VanDerWaalsContact C-N 3.26Å; P268-S270 PolarHBondContact O-N 3.14Å; S270-K272 PolarHBondContact O-N 3.36Å; S270-K272 PolarHBondContact OG-N 3.15Å; S270-L273 PolarHBondContact O-N 3.41Å
271S72.5Confident83.8Confident91 Ų9151.7 Ų51.764%0.63628%0.283SS*.THydrogen-bonded Turntrans-67-12.2175.8570000113.6
272K70.7Confident83.5Confident92 Ų9249.5 Ų49.540%0.427%0.267SS..THydrogen-bonded Turntrans-83.1-13.7179.5-64.6-179.4-178.3175.40113.8S270 T274 Y275 L367S270-K272 PolarHBondContact O-N 3.36Å; S270-K272 PolarHBondContact OG-N 3.15Å; K272-T274 VanDerWaalsContact C-N 3.25Å; K272-T274 PolarHBondContact O-N 3.37Å; K272-Y275 WeakPolarHBondContact O-CB 3.16Å; K272-Y275 PolarHBondContact O-N 3.45Å; K272-Y275 VanDerWaalsContact O-N 3.08Å; K272-L367 HydrophobicContact CB-CD2 3.99Å
273L73.9Confident83.2Confident12 Ų1245 Ų456%0.06324%0.243CC..G310 helixtrans-66.2-29.9-176.9-70.2168000112.5Y256 S270 Y275 G276 I359 F364Y256-L273 HydrophobicContact CD1-CB 4.46Å; Y256-L273 HydrophobicContact CD1-CD1 3.78Å; Y256-L273 HydrophobicContact CD2-CB 4.03Å; Y256-L273 HydrophobicContact CE1-CB 4.46Å; Y256-L273 HydrophobicContact CE1-CD1 3.82Å; Y256-L273 HydrophobicContact CE2-CB 4.03Å; Y256-L273 HydrophobicContact CG-CB 4.25Å; Y256-L273 HydrophobicContact CG-CD1 4.3Å; S270-L273 PolarHBondContact O-N 3.41Å; L273-Y275 PolarHBondContact O-N 3.16Å; L273-Y275 VanDerWaalsContact O-N 3.14Å; L273-G276 PolarHBondContact O-N 3.47Å; L273-G276 VanDerWaalsContact O-N 3.1Å; L273-I359 HydrophobicContact CD2-CG2 4.28Å; L273-F364 HydrophobicContact CD1-CE1 4.21Å; L273-F364 HydrophobicContact CD1-CZ 4.44Å; L273-F364 HydrophobicContact CD2-CD1 4.03Å; L273-F364 HydrophobicContact CD2-CE1 3.64Å; L273-F364 HydrophobicContact CG-CE1 4.43Å
274T68.3Low83Confident40 Ų4047.2 Ų47.225%0.24525%0.254CS..G310 helixtrans-59.2-24.3173.6-43.80000112.6K272K272-T274 VanDerWaalsContact C-N 3.25Å; K272-T274 PolarHBondContact O-N 3.37Å
275Y69Low83Confident77 Ų7744.5 Ų44.530%0.30224%0.237SC..G310 helixtrans-91.81.2-179.3-54.7-54.4000114.2L147 K272 L273 T277 M278 V279L147-Y275 HydrophobicContact CD1-CE1 4.12Å; K272-Y275 WeakPolarHBondContact O-CB 3.16Å; K272-Y275 PolarHBondContact O-N 3.45Å; K272-Y275 VanDerWaalsContact O-N 3.08Å; L273-Y275 PolarHBondContact O-N 3.16Å; L273-Y275 VanDerWaalsContact O-N 3.14Å; Y275-T277 PolarHBondContact O-N 3.49Å; Y275-M278 HydrophobicContact CD1-CE 3.16Å; Y275-M278 HydrophobicContact CD1-SD 4.48Å; Y275-M278 HydrophobicContact CE1-CE 4Å; Y275-M278 HydrophobicContact CG-CE 3.72Å; Y275-M278 PolarHBondContact O-N 3.14Å; Y275-V279 PolarHBondContact O-N 3.15Å
276G72.5Confident83Confident15 Ų1541.7 Ų41.716%0.15523%0.226CC..Hα-helixtrans-56.4-35.7-175.200000113.6R113 L273R113-G276 VanDerWaalsContact NH1-C 3.3Å; R113-G276 PolarHBondContact NH1-O 2.88Å; L273-G276 PolarHBondContact O-N 3.47Å; L273-G276 VanDerWaalsContact O-N 3.1Å
277T76.8Confident83Confident6 Ų639.3 Ų39.34%0.03721%0.214CC..Hα-helixtrans-69-37.7176.6-48.50000112.1M106 P109 Y275 V279 F280 V281M106-T277 HydrophobicContact CE-CG2 4.49Å; M106-T277 HydrophobicContact SD-CG2 3.72Å; P109-T277 HydrophobicContact CB-CG2 4.14Å; Y275-T277 PolarHBondContact O-N 3.49Å; T277-V279 VanDerWaalsContact C-N 3.34Å; T277-V279 PolarHBondContact O-N 3.21Å; T277-F280 VanDerWaalsContact O-CB 3.25Å; T277-F280 WeakPolarHBondContact O-CB 3.32Å; T277-F280 PolarHBondContact O-N 2.65Å; T277-V281 PolarHBondContact O-N 3.4Å
278M82.6Confident83.2Confident14 Ų1433.4 Ų33.47%0.06919%0.189CC..Hα-helixtrans-66.7-36179.3-64.1-172.9-46.300112.1Y275 F280 V281 R282 E421Y275-M278 HydrophobicContact CD1-CE 3.16Å; Y275-M278 HydrophobicContact CD1-SD 4.48Å; Y275-M278 HydrophobicContact CE1-CE 4Å; Y275-M278 HydrophobicContact CG-CE 3.72Å; Y275-M278 PolarHBondContact O-N 3.14Å; M278-F280 VanDerWaalsContact C-N 3.26Å; M278-F280 PolarHBondContact O-N 3.29Å; M278-V281 PolarHBondContact O-N 3.11Å; M278-R282 WeakPolarHBondContact O-CG 2.96Å; M278-R282 PolarHBondContact O-N 2.83Å; M278-E421 WeakPolarHBondContact CB-OE2 3.4Å
279V84.1Confident83.8Confident5 Ų532 Ų323%0.0318%0.18CC..Hα-helixtrans-61.3-37.8176.1178.10000111.4Y275 T277 S283 Y352 L370Y275-V279 PolarHBondContact O-N 3.15Å; T277-V279 VanDerWaalsContact C-N 3.34Å; T277-V279 PolarHBondContact O-N 3.21Å; V279-S283 PolarHBondContact O-N 2.89Å; V279-S283 VanDerWaalsContact O-N 3.12Å; V279-Y352 HydrophobicContact CG1-CD2 4.22Å; V279-Y352 HydrophobicContact CG1-CE2 4.49Å; V279-L370 HydrophobicContact CG1-CD1 4.13Å; V279-L370 HydrophobicContact CG1-CD2 3.62Å; V279-L370 HydrophobicContact CG1-CG 3.59Å
280F85.2Confident84.6Confident50 Ų5027.1 Ų27.122%0.21915%0.148CC..Hα-helixtrans-59.6-51.5173.5178.3-123.3000111.7T277 M278 R282 S283 M284 Y352T277-F280 VanDerWaalsContact O-CB 3.25Å; T277-F280 WeakPolarHBondContact O-CB 3.32Å; T277-F280 PolarHBondContact O-N 2.65Å; M278-F280 VanDerWaalsContact C-N 3.26Å; M278-F280 PolarHBondContact O-N 3.29Å; F280-R282 VanDerWaalsContact C-N 3.32Å; F280-R282 PolarHBondContact O-N 3.2Å; F280-S283 WeakPolarHBondContact O-CB 3.49Å; F280-S283 PolarHBondContact O-N 3.46Å; F280-S283 VanDerWaalsContact O-N 3.14Å; F280-M284 HydrophobicContact CE2-CG 4.13Å; F280-M284 HydrophobicContact CE2-SD 4.36Å; F280-M284 HydrophobicContact CZ-CG 4.13Å; F280-M284 HydrophobicContact CZ-SD 4.45Å; F280-M284 PolarHBondContact O-N 3.09Å; F280-M284 VanDerWaalsContact O-N 3.08Å; F280-Y352 HydrophobicContact CB-CE1 4.41Å; F280-Y352 HydrophobicContact CB-CE2 3.69Å; F280-Y352 VanDerWaalsContact CB-OH 3.23Å; F280-Y352 WeakPolarHBondContact CB-OH 3.07Å; F280-Y352 HydrophobicContact CD2-CD1 4.02Å; F280-Y352 AromaticContact CD2-CE1 3.35Å; F280-Y352 HydrophobicContact CD2-CE1 3.35Å; F280-Y352 HydrophobicContact CD2-CE2 4.13Å; F280-Y352 AromaticContact CD2-CZ 3.4Å; F280-Y352 WeakPolarHBondContact CD2-OH 3.25Å; F280-Y352 HydrophobicContact CE2-CE1 4.02Å; F280-Y352 HydrophobicContact CG-CE1 4.23Å; F280-Y352 HydrophobicContact CG-CE2 4.37Å; F280-Y352 AromaticContact CG-CZ 3.81Å; F280-Y352 WeakPolarHBondContact CG-OH 3.32Å
281V90Very high85.6Confident13 Ų1330.1 Ų30.18%0.07916%0.155CC..Hα-helixtrans-64.4-39.6-177.4-173.40000111V105 M106 T277 M278 S283 M284 I285 E421V105-V281 HydrophobicContact CG1-CG1 4.27Å; V105-V281 HydrophobicContact CG1-CG2 3.79Å; M106-V281 HydrophobicContact CG-CG2 4.5Å; M106-V281 HydrophobicContact SD-CG2 3.47Å; M106-V281 WeakPolarHBondContact SD-CG2 3.16Å; T277-V281 PolarHBondContact O-N 3.4Å; M278-V281 PolarHBondContact O-N 3.11Å; V281-S283 VanDerWaalsContact C-N 3.31Å; V281-S283 PolarHBondContact O-N 3.1Å; V281-M284 WeakPolarHBondContact O-CB 3.5Å; V281-M284 PolarHBondContact O-N 3.02Å; V281-M284 VanDerWaalsContact O-N 3.14Å; V281-I285 HydrophobicContact CG1-CD1 4.22Å; V281-I285 HydrophobicContact CG1-CG1 4.44Å; V281-I285 VanDerWaalsContact O-CG1 3.31Å; V281-I285 WeakPolarHBondContact O-CG1 3.3Å; V281-I285 PolarHBondContact O-N 2.68Å; V281-E421 HydrophobicContact CB-CG 3.98Å; V281-E421 HydrophobicContact CG1-CG 3.55Å
282R92.1Very high86.8Confident9 Ų926.4 Ų26.43%0.03413%0.129CC..Hα-helixtrans-58.7-41.5173.7-71.6176.6-175.5154.95.8112.8M278 F280 M284 I285 V286 H371 K378 E421 M427M278-R282 WeakPolarHBondContact O-CG 2.96Å; M278-R282 PolarHBondContact O-N 2.83Å; F280-R282 VanDerWaalsContact C-N 3.32Å; F280-R282 PolarHBondContact O-N 3.2Å; R282-M284 VanDerWaalsContact C-N 3.34Å; R282-I285 PolarHBondContact O-N 3.27Å; R282-V286 PolarHBondContact O-N 3.16Å; R282-H371 PolarHBondContact NH1-CD2 3.06Å; R282-H371 VanDerWaalsContact NH1-CD2 3.31Å; R282-H371 PolarHBondContact NH1-NE2 3.49Å; R282-K378 HydrophobicContact CB-CB 4.32Å; R282-K378 HydrophobicContact CG-CB 4.46Å; R282-K378 HydrophobicContact CG-CG 4.33Å; R282-E421 HydrophobicContact CG-CB 4.08Å; R282-E421 PolarHBondContact NE-O 3.32Å; R282-E421 PolarHBondContact NH2-O 2.85Å; R282-E421 VanDerWaalsContact NH2-O 3.11Å; R282-M427 PolarHBondContact NH2-SD 3.06Å
283S89.3Confident88.2Confident2 Ų222 Ų221%0.01411%0.11CC..Hα-helixtrans-60-45.2174.6-176.60000111.2V279 F280 V281 I285 V286 M348V279-S283 PolarHBondContact O-N 2.89Å; V279-S283 VanDerWaalsContact O-N 3.12Å; F280-S283 WeakPolarHBondContact O-CB 3.49Å; F280-S283 PolarHBondContact O-N 3.46Å; F280-S283 VanDerWaalsContact O-N 3.14Å; V281-S283 VanDerWaalsContact C-N 3.31Å; V281-S283 PolarHBondContact O-N 3.1Å; S283-I285 PolarHBondContact O-N 3Å; S283-V286 WeakPolarHBondContact O-CB 3.33Å; S283-V286 PolarHBondContact O-N 2.75Å; S283-M348 VanDerWaalsContact OG-C 3.23Å; S283-M348 PolarHBondContact OG-O 3.35Å; S283-M348 VanDerWaalsContact OG-O 3.08Å
284M91.9Very high89.4Confident49 Ų4921.7 Ų21.724%0.24111%0.109CC..Hα-helixtrans-62.3-39.2176.8-67.7-62.9-64.300113.1Y86 F280 V281 R282 V286 G287 E288Y86-M284 HydrophobicContact CD2-CE 4.01Å; Y86-M284 HydrophobicContact CE2-CE 3.93Å; F280-M284 HydrophobicContact CE2-CG 4.13Å; F280-M284 HydrophobicContact CE2-SD 4.36Å; F280-M284 HydrophobicContact CZ-CG 4.13Å; F280-M284 HydrophobicContact CZ-SD 4.45Å; F280-M284 PolarHBondContact O-N 3.09Å; F280-M284 VanDerWaalsContact O-N 3.08Å; V281-M284 WeakPolarHBondContact O-CB 3.5Å; V281-M284 PolarHBondContact O-N 3.02Å; V281-M284 VanDerWaalsContact O-N 3.14Å; R282-M284 VanDerWaalsContact C-N 3.34Å; M284-V286 VanDerWaalsContact C-N 3.26Å; M284-V286 PolarHBondContact O-N 3.43Å; M284-G287 PolarHBondContact O-N 3.29Å; M284-G287 VanDerWaalsContact O-N 3.08Å; M284-E288 PolarHBondContact O-N 3.27Å
285I96.8Very high90.8Very high4 Ų421.1 Ų21.12%0.02110%0.103CC..Hα-helixtrans-59.9-35.7179.6-69.1164.4000111.7V281 R282 S283 G287 E288 S289 K378 T382 T417 Y420 E421V281-I285 HydrophobicContact CG1-CD1 4.22Å; V281-I285 HydrophobicContact CG1-CG1 4.44Å; V281-I285 VanDerWaalsContact O-CG1 3.31Å; V281-I285 WeakPolarHBondContact O-CG1 3.3Å; V281-I285 PolarHBondContact O-N 2.68Å; R282-I285 PolarHBondContact O-N 3.27Å; S283-I285 PolarHBondContact O-N 3Å; I285-G287 VanDerWaalsContact C-N 3.29Å; I285-G287 PolarHBondContact O-N 3.5Å; I285-E288 WeakPolarHBondContact O-CB 3.21Å; I285-E288 PolarHBondContact O-N 3.12Å; I285-E288 VanDerWaalsContact O-N 3.11Å; I285-S289 PolarHBondContact O-N 3.38Å; I285-S289 PolarHBondContact O-OG 3.13Å; I285-S289 VanDerWaalsContact O-OG 3.13Å; I285-K378 HydrophobicContact CB-CG 4.24Å; I285-K378 HydrophobicContact CD1-CG 4.15Å; I285-K378 HydrophobicContact CG2-CG 3.9Å; I285-T382 HydrophobicContact CG2-CG2 3.42Å; I285-T382 VanDerWaalsContact CG2-CG2 3.42Å; I285-T417 HydrophobicContact CG2-CG2 4.33Å; I285-Y420 HydrophobicContact CD1-CD2 3.94Å; I285-Y420 HydrophobicContact CD1-CE2 3.48Å; I285-Y420 VanDerWaalsContact CD1-CE2 3.48Å; I285-Y420 HydrophobicContact CG1-CE2 3.94Å; I285-E421 HydrophobicContact CD1-CB 3.74Å; I285-E421 HydrophobicContact CD1-CG 3.73Å
286V97.1Very high92.2Very high0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-59.5-42.8176.2178.10000110.8R282 S283 M284 S289 A290 V344 M348 L377 T381R282-V286 PolarHBondContact O-N 3.16Å; S283-V286 WeakPolarHBondContact O-CB 3.33Å; S283-V286 PolarHBondContact O-N 2.75Å; M284-V286 VanDerWaalsContact C-N 3.26Å; M284-V286 PolarHBondContact O-N 3.43Å; V286-S289 WeakPolarHBondContact O-CB 3.34Å; V286-S289 PolarHBondContact O-N 3.01Å; V286-A290 PolarHBondContact O-N 3.04Å; V286-V344 HydrophobicContact CG1-CG1 3.9Å; V286-M348 HydrophobicContact CG1-CG 4.41Å; V286-M348 HydrophobicContact CG2-CG 4.42Å; V286-L377 HydrophobicContact CG2-CB 4.01Å; V286-T381 HydrophobicContact CG1-CG2 4.12Å
287G95.3Very high93.5Very high11 Ų1116.7 Ų16.711%0.1138%0.081CC..Hα-helixtrans-67.2-36.8173.100000113.2M284 I285 S289 A290 R291M284-G287 PolarHBondContact O-N 3.29Å; M284-G287 VanDerWaalsContact O-N 3.08Å; I285-G287 VanDerWaalsContact C-N 3.29Å; I285-G287 PolarHBondContact O-N 3.5Å; G287-S289 VanDerWaalsContact C-N 3.33Å; G287-S289 PolarHBondContact O-N 3.06Å; G287-A290 WeakPolarHBondContact O-CB 3.43Å; G287-A290 PolarHBondContact O-N 2.84Å; G287-R291 WeakPolarHBondContact O-CG 3.48Å; G287-R291 PolarHBondContact O-N 3.24Å
288E95.8Very high94.5Very high45 Ų4516.4 Ų16.421%0.218%0.08CC..Hα-helixtrans-62.3-39173.1-64.8-59124.600112.1Y86 M284 I285 A290 R291 A292Y86-E288 PolarHBondContact OH-OE1 2.71Å; M284-E288 PolarHBondContact O-N 3.27Å; I285-E288 WeakPolarHBondContact O-CB 3.21Å; I285-E288 PolarHBondContact O-N 3.12Å; I285-E288 VanDerWaalsContact O-N 3.11Å; E288-A290 VanDerWaalsContact C-N 3.27Å; E288-A290 PolarHBondContact O-N 3.1Å; E288-R291 PolarHBondContact O-N 3.19Å; E288-R291 IonicContact OE1-CZ 3.65Å; E288-R291 IonicContact OE1-NH1 2.78Å; E288-R291 PolarHBondContact OE1-NH1 3.33Å; E288-A292 WeakPolarHBondContact O-CB 3.4Å; E288-A292 PolarHBondContact O-N 3.4Å
289S98.5Very high95.3Very high0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-57.7-40.6173.8-59.10000112I285 V286 G287 L293 T381 T382 T385 F414I285-S289 PolarHBondContact O-N 3.38Å; I285-S289 PolarHBondContact O-OG 3.13Å; I285-S289 VanDerWaalsContact O-OG 3.13Å; V286-S289 WeakPolarHBondContact O-CB 3.34Å; V286-S289 PolarHBondContact O-N 3.01Å; G287-S289 VanDerWaalsContact C-N 3.33Å; G287-S289 PolarHBondContact O-N 3.06Å; S289-L293 VanDerWaalsContact O-CB 3.25Å; S289-L293 WeakPolarHBondContact O-CB 3.48Å; S289-L293 PolarHBondContact O-N 2.96Å; S289-T381 PolarHBondContact OG-OG1 2.95Å; S289-T382 WeakPolarHBondContact OG-CG2 3.28Å; S289-T385 VanDerWaalsContact O-CG2 3.31Å; S289-T385 WeakPolarHBondContact O-CG2 3.41Å; S289-T385 PolarHBondContact O-OG1 2.88Å; S289-F414 VanDerWaalsContact CA-CE2 3.49Å; S289-F414 WeakPolarHBondContact OG-CZ 3.43Å
290A98.2Very high96Very high3 Ų315.5 Ų15.53%0.0258%0.075CC..Hα-helixtrans-65.3-49.9175.100000111.3V286 G287 E288 A292 L293 S294 F341V286-A290 PolarHBondContact O-N 3.04Å; G287-A290 WeakPolarHBondContact O-CB 3.43Å; G287-A290 PolarHBondContact O-N 2.84Å; E288-A290 VanDerWaalsContact C-N 3.27Å; E288-A290 PolarHBondContact O-N 3.1Å; A290-A292 PolarHBondContact O-N 3.48Å; A290-L293 PolarHBondContact O-N 3.29Å; A290-S294 WeakPolarHBondContact O-CB 3.43Å; A290-S294 PolarHBondContact O-N 3.11Å; A290-S294 PolarHBondContact O-OG 2.87Å; A290-S294 VanDerWaalsContact O-OG 3.08Å; A290-F341 HydrophobicContact CB-CB 3.81Å
291R97.3Very high96.7Very high95 Ų9513.1 Ų13.136%0.3586%0.064SC..Hα-helixtrans-62.2-44.2-177.6-67.6174.2-169.9110.44.7112.8Y86 G287 E288 L293 S294 K295Y86-R291 VanDerWaalsContact OH-CD 3.32Å; Y86-R291 WeakPolarHBondContact OH-CD 3.3Å; Y86-R291 PolarHBondContact OH-NE 2.92Å; Y86-R291 PolarHBondContact OH-NH1 2.74Å; G287-R291 WeakPolarHBondContact O-CG 3.48Å; G287-R291 PolarHBondContact O-N 3.24Å; E288-R291 PolarHBondContact O-N 3.19Å; E288-R291 IonicContact OE1-CZ 3.65Å; E288-R291 IonicContact OE1-NH1 2.78Å; E288-R291 PolarHBondContact OE1-NH1 3.33Å; R291-L293 VanDerWaalsContact C-N 3.34Å; R291-S294 PolarHBondContact O-N 2.88Å; R291-K295 WeakPolarHBondContact O-CG 3.43Å; R291-K295 PolarHBondContact O-N 3Å
292A98.4Very high97.1Very high12 Ų1212.7 Ų12.710%0.0996%0.061CC..Hα-helixtrans-65.2-39.6178.400000111.6E288 A290 S296 T385 I389 I410 F414E288-A292 WeakPolarHBondContact O-CB 3.4Å; E288-A292 PolarHBondContact O-N 3.4Å; A290-A292 PolarHBondContact O-N 3.48Å; A292-S296 WeakPolarHBondContact O-CB 3.48Å; A292-S296 PolarHBondContact O-N 3.33Å; A292-S296 VanDerWaalsContact O-N 3.13Å; A292-S296 PolarHBondContact O-OG 3.11Å; A292-T385 HydrophobicContact CB-CG2 4.21Å; A292-I389 HydrophobicContact CB-CD1 4.2Å; A292-I410 HydrophobicContact CB-CG2 4.3Å; A292-F414 HydrophobicContact CB-CB 4.31Å; A292-F414 HydrophobicContact CB-CD2 3.48Å; A292-F414 VanDerWaalsContact CB-CD2 3.48Å; A292-F414 HydrophobicContact CB-CE2 4Å; A292-F414 HydrophobicContact CB-CG 3.95Å
293L98.7Very high97.4Very high0 Ų012.5 Ų12.50%06%0.06CC..Hα-helixtrans-67.2-46.5175.7-173.852.5000111.9S289 A290 R291 K295 S296 C297 L334 M337 A338 F341 T385 A388S289-L293 VanDerWaalsContact O-CB 3.25Å; S289-L293 WeakPolarHBondContact O-CB 3.48Å; S289-L293 PolarHBondContact O-N 2.96Å; A290-L293 PolarHBondContact O-N 3.29Å; R291-L293 VanDerWaalsContact C-N 3.34Å; L293-K295 PolarHBondContact O-N 3.42Å; L293-S296 PolarHBondContact O-N 2.83Å; L293-S296 VanDerWaalsContact O-N 3.14Å; L293-C297 WeakPolarHBondContact O-CB 3.3Å; L293-C297 PolarHBondContact O-N 3.41Å; L293-C297 PolarHBondContact O-SG 3.05Å; L293-C297 VanDerWaalsContact O-SG 3.41Å; L293-L334 HydrophobicContact CD1-CB 4.38Å; L293-M337 HydrophobicContact CD1-CE 4.4Å; L293-M337 HydrophobicContact CD2-CB 3.97Å; L293-M337 HydrophobicContact CD2-CE 3.51Å; L293-M337 HydrophobicContact CD2-CG 3.73Å; L293-M337 HydrophobicContact CD2-SD 4.43Å; L293-A338 HydrophobicContact CB-CB 4.37Å; L293-A338 HydrophobicContact CD2-CB 4.09Å; L293-A338 HydrophobicContact CG-CB 3.88Å; L293-F341 HydrophobicContact CD2-CD2 4.28Å; L293-T385 HydrophobicContact CB-CG2 3.95Å; L293-A388 HydrophobicContact CD1-CB 3.43Å; L293-A388 VanDerWaalsContact CD1-CB 3.43Å
294S98.8Very high97.9Very high5 Ų512.4 Ų12.44%0.0356%0.06CC..Hα-helixtrans-55.5-49.8176.2-67.40000111.4A290 R291 S296 C297 T298 F610A290-S294 WeakPolarHBondContact O-CB 3.43Å; A290-S294 PolarHBondContact O-N 3.11Å; A290-S294 PolarHBondContact O-OG 2.87Å; A290-S294 VanDerWaalsContact O-OG 3.08Å; R291-S294 PolarHBondContact O-N 2.88Å; S294-S296 VanDerWaalsContact C-N 3.32Å; S294-S296 PolarHBondContact O-N 3.31Å; S294-C297 PolarHBondContact O-N 2.92Å; S294-T298 WeakPolarHBondContact O-CB 3.42Å; S294-T298 PolarHBondContact O-N 3.34Å; S294-T298 PolarHBondContact O-OG1 3.49Å; S294-F610 WeakPolarHBondContact OG-CD1 3.36Å; S294-F610 WeakPolarHBondContact OG-CE1 3.38Å; S294-F610 VanDerWaalsContact OG-CZ 3.22Å; S294-F610 WeakPolarHBondContact OG-CZ 3.36Å
295K98.6Very high98.2Very high28 Ų2810 Ų1012%0.1225%0.048CC..Hα-helixtrans-55.4-46.8175.2-74.3176.9179.4-172.80112.3N95 R291 L293 T298 I299 I410 I612 L617N95-K295 PolarHBondContact OD1-NZ 3.01Å; R291-K295 WeakPolarHBondContact O-CG 3.43Å; R291-K295 PolarHBondContact O-N 3Å; L293-K295 PolarHBondContact O-N 3.42Å; K295-T298 WeakPolarHBondContact O-CB 3.45Å; K295-T298 PolarHBondContact O-N 3.42Å; K295-I299 WeakPolarHBondContact O-CD1 3.4Å; K295-I299 WeakPolarHBondContact O-CG1 3.37Å; K295-I299 PolarHBondContact O-N 3.44Å; K295-I410 HydrophobicContact CB-CD1 4.02Å; K295-I612 HydrophobicContact CB-CD1 4.49Å; K295-I612 HydrophobicContact CG-CD1 3.87Å; K295-I612 HydrophobicContact CG-CG2 4.49Å; K295-L617 HydrophobicContact CB-CD1 3.91Å; K295-L617 HydrophobicContact CG-CD1 4.04Å
296S98.9Very high98.3Very high0 Ų010 Ų100%05%0.048CC..Hα-helixtrans-66.2-42.4-177.2-57.30000111.9A292 L293 S294 I299 A300 I389 I410A292-S296 WeakPolarHBondContact O-CB 3.48Å; A292-S296 PolarHBondContact O-N 3.33Å; A292-S296 VanDerWaalsContact O-N 3.13Å; A292-S296 PolarHBondContact O-OG 3.11Å; L293-S296 PolarHBondContact O-N 2.83Å; L293-S296 VanDerWaalsContact O-N 3.14Å; S294-S296 VanDerWaalsContact C-N 3.32Å; S294-S296 PolarHBondContact O-N 3.31Å; S296-I299 PolarHBondContact O-N 2.91Å; S296-A300 WeakPolarHBondContact O-CB 3.49Å; S296-A300 PolarHBondContact O-N 3.16Å; S296-I389 WeakPolarHBondContact OG-CG1 3.28Å; S296-I410 WeakPolarHBondContact OG-CG2 3.45Å
297C98.9Very high98.4Very high0 Ų012.8 Ų12.80%06%0.059CC..Hα-helixtrans-63.2-43.2172.9-71.90000111.5L293 S294 I299 A300 I301 V607L293-C297 WeakPolarHBondContact O-CB 3.3Å; L293-C297 PolarHBondContact O-N 3.41Å; L293-C297 PolarHBondContact O-SG 3.05Å; L293-C297 VanDerWaalsContact O-SG 3.41Å; S294-C297 PolarHBondContact O-N 2.92Å; C297-I299 VanDerWaalsContact C-N 3.34Å; C297-I299 PolarHBondContact O-N 3.45Å; C297-A300 PolarHBondContact O-N 3.36Å; C297-I301 HydrophobicContact CB-CD1 4.37Å; C297-I301 VanDerWaalsContact O-CB 3.23Å; C297-I301 WeakPolarHBondContact O-CB 3.27Å; C297-I301 VanDerWaalsContact O-CG1 3.31Å; C297-I301 WeakPolarHBondContact O-CG1 3.42Å; C297-I301 PolarHBondContact O-N 3Å; C297-V607 HydrophobicContact CB-CG1 4.44Å
298T98.9Very high98.5Very high0 Ų015 Ų150%07%0.066CC..Hα-helixtrans-56.6-47.8175.9-60.60000111.3S294 K295 R302 V607 L617S294-T298 WeakPolarHBondContact O-CB 3.42Å; S294-T298 PolarHBondContact O-N 3.34Å; S294-T298 PolarHBondContact O-OG1 3.49Å; K295-T298 WeakPolarHBondContact O-CB 3.45Å; K295-T298 PolarHBondContact O-N 3.42Å; T298-R302 HydrophobicContact CG2-CG 4.41Å; T298-R302 VanDerWaalsContact CG2-CZ 3.45Å; T298-R302 VanDerWaalsContact O-CB 3.26Å; T298-R302 WeakPolarHBondContact O-CB 3.36Å; T298-R302 VanDerWaalsContact O-CG 3.25Å; T298-R302 WeakPolarHBondContact O-CG 3.28Å; T298-R302 PolarHBondContact O-N 2.86Å; T298-V607 HydrophobicContact CG2-CB 4.28Å; T298-V607 HydrophobicContact CG2-CG2 4.45Å; T298-V607 PolarHBondContact OG1-O 3.09Å; T298-L617 HydrophobicContact CG2-CD2 4.01Å
299I98.9Very high98.6Very high0 Ų016.6 Ų16.60%07%0.074CC..Hα-helixtrans-62.1-53.7178.3-64.5158.2000110.5K295 S296 C297 I301 Y303 S405 A406 L407 I410 L617 S619 L621K295-I299 WeakPolarHBondContact O-CD1 3.4Å; K295-I299 WeakPolarHBondContact O-CG1 3.37Å; K295-I299 PolarHBondContact O-N 3.44Å; S296-I299 PolarHBondContact O-N 2.91Å; C297-I299 VanDerWaalsContact C-N 3.34Å; C297-I299 PolarHBondContact O-N 3.45Å; I299-I301 PolarHBondContact O-N 2.86Å; I299-Y303 WeakPolarHBondContact O-CB 3.32Å; I299-Y303 PolarHBondContact O-N 3.48Å; I299-S405 WeakPolarHBondContact CD1-O 3.5Å; I299-A406 HydrophobicContact CD1-CB 4.25Å; I299-L407 HydrophobicContact CB-CD1 4.48Å; I299-L407 HydrophobicContact CB-CD2 4.31Å; I299-L407 HydrophobicContact CB-CG 4.43Å; I299-L407 HydrophobicContact CD1-CD2 4.04Å; I299-L407 HydrophobicContact CD1-CG 4.21Å; I299-L407 HydrophobicContact CG2-CD1 3.83Å; I299-L407 HydrophobicContact CG2-CD2 4.45Å; I299-L407 HydrophobicContact CG2-CG 4.04Å; I299-I410 HydrophobicContact CD1-CD1 3.59Å; I299-L617 HydrophobicContact CD1-CD1 3.88Å; I299-L617 HydrophobicContact CD1-CG 4.11Å; I299-L617 HydrophobicContact CG1-CD1 3.76Å; I299-L617 HydrophobicContact CG1-CD2 3.84Å; I299-L617 HydrophobicContact CG1-CG 3.79Å; I299-S619 WeakPolarHBondContact CG2-OG 3.42Å; I299-L621 HydrophobicContact CG2-CB 4.09Å
300A98.9Very high98.5Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-66.3-38.9-173.500000112.8S296 C297 S304 L331 C392S296-A300 WeakPolarHBondContact O-CB 3.49Å; S296-A300 PolarHBondContact O-N 3.16Å; C297-A300 PolarHBondContact O-N 3.36Å; A300-S304 VanDerWaalsContact O-CB 3.23Å; A300-S304 WeakPolarHBondContact O-CB 3.12Å; A300-S304 PolarHBondContact O-N 3.44Å; A300-S304 PolarHBondContact O-OG 2.97Å; A300-L331 HydrophobicContact CB-CD1 4.21Å; A300-L331 HydrophobicContact CB-CD2 3.7Å; A300-C392 HydrophobicContact CB-CB 3.82Å
301I98.9Very high98.4Very high0 Ų025.1 Ų25.10%012%0.121CC..Hα-helixtrans-74-46.2-179.2-68.8172.4000111C297 I299 Y303 S304 A305 L322 L331 L335 A603 V604 V607C297-I301 HydrophobicContact CB-CD1 4.37Å; C297-I301 VanDerWaalsContact O-CB 3.23Å; C297-I301 WeakPolarHBondContact O-CB 3.27Å; C297-I301 VanDerWaalsContact O-CG1 3.31Å; C297-I301 WeakPolarHBondContact O-CG1 3.42Å; C297-I301 PolarHBondContact O-N 3Å; I299-I301 PolarHBondContact O-N 2.86Å; I301-Y303 VanDerWaalsContact C-N 3.33Å; I301-Y303 PolarHBondContact O-N 2.7Å; I301-S304 PolarHBondContact O-N 3.05Å; I301-A305 PolarHBondContact O-N 3.44Å; I301-L322 HydrophobicContact CG2-CD2 4.41Å; I301-L331 HydrophobicContact CD1-CB 4.46Å; I301-L331 HydrophobicContact CG1-CB 4.12Å; I301-L331 HydrophobicContact CG1-CD1 3.98Å; I301-L335 HydrophobicContact CD1-CB 4.12Å; I301-L335 HydrophobicContact CD1-CD1 4.34Å; I301-L335 HydrophobicContact CD1-CD2 3.91Å; I301-L335 HydrophobicContact CD1-CG 4.36Å; I301-A603 HydrophobicContact CG2-CB 3.93Å; I301-V604 HydrophobicContact CG2-CG2 4.33Å; I301-V607 HydrophobicContact CB-CG1 4.11Å; I301-V607 HydrophobicContact CB-CG2 4.35Å; I301-V607 HydrophobicContact CD1-CG1 3.65Å; I301-V607 HydrophobicContact CG1-CG1 4.4Å; I301-V607 HydrophobicContact CG2-CG1 4.33Å; I301-V607 HydrophobicContact CG2-CG2 4.11Å
302R98.9Very high98.3Very high3 Ų325 Ų251%0.01113%0.126CC..Hα-helixtrans-60.1-45175.1-71.4-178.3176.6162.45.1111I5 T298 S304 A305 V306 V607 D608 D614 G622I5-R302 HydrophobicContact CD1-CB 4.05Å; I5-R302 HydrophobicContact CD1-CG 3.95Å; T298-R302 HydrophobicContact CG2-CG 4.41Å; T298-R302 VanDerWaalsContact CG2-CZ 3.45Å; T298-R302 VanDerWaalsContact O-CB 3.26Å; T298-R302 WeakPolarHBondContact O-CB 3.36Å; T298-R302 VanDerWaalsContact O-CG 3.25Å; T298-R302 WeakPolarHBondContact O-CG 3.28Å; T298-R302 PolarHBondContact O-N 2.86Å; R302-S304 VanDerWaalsContact C-N 3.33Å; R302-S304 PolarHBondContact O-N 2.97Å; R302-A305 PolarHBondContact O-N 3.48Å; R302-V306 PolarHBondContact O-N 3.25Å; R302-V607 HydrophobicContact CG-CG2 4.13Å; R302-D608 IonicContact CZ-OD1 3.65Å; R302-D608 VanDerWaalsContact CZ-OD1 3.24Å; R302-D608 IonicContact NE-OD1 2.71Å; R302-D608 PolarHBondContact NE-OD1 3.13Å; R302-D608 IonicContact NH2-OD1 3.72Å; R302-D608 PolarHBondContact NH2-OD1 3.1Å; R302-D614 IonicContact NH1-OD1 3.35Å; R302-G622 WeakPolarHBondContact CD-O 3.43Å; R302-G622 PolarHBondContact NH1-O 3.45Å
303Y98.9Very high98.2Very high5 Ų531.8 Ų31.82%0.0215%0.149CC..Hα-helixtrans-63.1-39.4176.4-178.5-109.4000112.1I299 I301 A305 V306 R307 C396 H399 L621 V628I299-Y303 WeakPolarHBondContact O-CB 3.32Å; I299-Y303 PolarHBondContact O-N 3.48Å; I301-Y303 VanDerWaalsContact C-N 3.33Å; I301-Y303 PolarHBondContact O-N 2.7Å; Y303-A305 PolarHBondContact O-N 3.32Å; Y303-V306 PolarHBondContact O-N 2.95Å; Y303-R307 HydrophobicContact CD1-CB 4.41Å; Y303-R307 HydrophobicContact CE1-CB 3.97Å; Y303-R307 HydrophobicContact CE1-CG 4.2Å; Y303-R307 HydrophobicContact CE2-CB 4.21Å; Y303-R307 WeakPolarHBondContact O-CB 3.42Å; Y303-R307 PolarHBondContact O-N 2.92Å; Y303-C396 HydrophobicContact CD1-CB 3.79Å; Y303-C396 HydrophobicContact CE1-CB 4Å; Y303-C396 WeakPolarHBondContact CE1-O 3.32Å; Y303-H399 AromaticContact CZ-ND1 3.78Å; Y303-H399 PolarHBondContact OH-ND1 2.85Å; Y303-L621 HydrophobicContact CD1-CD1 4.47Å; Y303-L621 HydrophobicContact CD2-CB 3.83Å; Y303-L621 HydrophobicContact CD2-CD1 4.19Å; Y303-L621 HydrophobicContact CD2-CD2 3.98Å; Y303-L621 HydrophobicContact CD2-CG 4.21Å; Y303-L621 HydrophobicContact CE2-CD1 4.32Å; Y303-L621 HydrophobicContact CE2-CD2 3.89Å; Y303-L621 HydrophobicContact CE2-CG 4.48Å; Y303-L621 HydrophobicContact CG-CB 4.07Å; Y303-L621 HydrophobicContact CG-CD1 4.27Å; Y303-V628 HydrophobicContact CD2-CG1 4.17Å; Y303-V628 HydrophobicContact CD2-CG2 4.37Å; Y303-V628 HydrophobicContact CE2-CG1 4.02Å
304S98.9Very high98Very high0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-65.8-27.2177.8-61.80000113.5A300 I301 R302 I321 L322 Q327 L331A300-S304 VanDerWaalsContact O-CB 3.23Å; A300-S304 WeakPolarHBondContact O-CB 3.12Å; A300-S304 PolarHBondContact O-N 3.44Å; A300-S304 PolarHBondContact O-OG 2.97Å; I301-S304 PolarHBondContact O-N 3.05Å; R302-S304 VanDerWaalsContact C-N 3.33Å; R302-S304 PolarHBondContact O-N 2.97Å; S304-I321 WeakPolarHBondContact O-CG1 3.46Å; S304-I321 PolarHBondContact O-N 3.47Å; S304-L322 WeakPolarHBondContact O-CB 3.14Å; S304-L322 PolarHBondContact O-N 3.5Å; S304-L322 VanDerWaalsContact O-N 3.15Å; S304-Q327 PolarHBondContact OG-NE2 3.32Å; S304-L331 WeakPolarHBondContact OG-CD1 3.46Å
305A98.8Very high97.7Very high0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-77.6-21.9172.500000113.1D4 E8 I301 R302 Y303 Q320 L322 V604D4-A305 WeakPolarHBondContact CB-O 3.45Å; E8-A305 HydrophobicContact CG-CB 3.86Å; I301-A305 PolarHBondContact O-N 3.44Å; R302-A305 PolarHBondContact O-N 3.48Å; Y303-A305 PolarHBondContact O-N 3.32Å; A305-Q320 WeakPolarHBondContact O-CG 3.35Å; A305-Q320 PolarHBondContact O-NE2 3.42Å; A305-L322 HydrophobicContact CB-CD2 4.27Å; A305-V604 HydrophobicContact CB-CG2 3.85Å
306V98.6Very high97.6Very high4 Ų444 Ų442%0.02424%0.237CC..Hα-helixtrans-96.7-29.9179.5170.20000111.9I5 R302 Y303 H308 V628I5-V306 HydrophobicContact CB-CG2 4.34Å; R302-V306 PolarHBondContact O-N 3.25Å; Y303-V306 PolarHBondContact O-N 2.95Å; V306-H308 PolarHBondContact O-CD2 2.82Å; V306-H308 PolarHBondContact O-N 3.37Å; V306-V628 HydrophobicContact CB-CG2 4.4Å; V306-V628 HydrophobicContact CG1-CB 4.26Å; V306-V628 HydrophobicContact CG1-CG2 3.89Å
307R98.6Very high97.5Very high57 Ų5749.6 Ų49.622%0.21527%0.273CS..  trans-81.1120.4-176.9179.358.3-177.8-154.82.9110.4Y303 Q320 I321 Y629Y303-R307 HydrophobicContact CD1-CB 4.41Å; Y303-R307 HydrophobicContact CE1-CB 3.97Å; Y303-R307 HydrophobicContact CE1-CG 4.2Å; Y303-R307 HydrophobicContact CE2-CB 4.21Å; Y303-R307 WeakPolarHBondContact O-CB 3.42Å; Y303-R307 PolarHBondContact O-N 2.92Å; R307-Q320 CarbonylContact O-C 3.48Å; R307-Q320 WeakPolarHBondContact O-CA 3.41Å; R307-I321 HydrophobicContact CB-CD1 3.88Å; R307-I321 HydrophobicContact CB-CG1 4.03Å; R307-I321 HydrophobicContact CG-CD1 3.91Å; R307-I321 HydrophobicContact CG-CG1 4.27Å; R307-I321 HydrophobicContact CG-CG2 3.97Å; R307-I321 PolarHBondContact O-N 3.03Å; R307-Y629 WeakPolarHBondContact CD-OH 3.35Å; R307-Y629 PolarHBondContact NH1-OH 3.36Å
308H98.5Very high97.4Very high57 Ų5754 Ų5426%0.26429%0.294SS..BIsolated β-bridgetrans-99.6135.9167.5-69.7-133.3000109D4 V306 E318 P319 Q320D4-H308 IonicContact OD1-NE2 3.88Å; D4-H308 IonicContact OD2-NE2 3.89Å; D4-H308 PolarHBondContact OD2-NE2 3.26Å; V306-H308 PolarHBondContact O-CD2 2.82Å; V306-H308 PolarHBondContact O-N 3.37Å; H308-E318 HydrophobicContact CB-CB 4.12Å; H308-E318 PolarHBondContact ND1-O 3.06Å; H308-P319 VanDerWaalsContact CA-O 3.25Å; H308-P319 WeakPolarHBondContact CA-O 3.37Å; H308-Q320 VanDerWaalsContact NE2-CG 3.28Å; H308-Q320 WeakPolarHBondContact NE2-CG 3.15Å
309Q97.8Very high97.4Very high80 Ų8054.9 Ų54.937%0.37430%0.3SS..  trans-163.4142.9176.2-164.569.411.200112.1E318 P319 I321 Y324Q309-E318 VanDerWaalsContact C-OE2 3.28Å; Q309-E318 WeakPolarHBondContact CA-OE2 3.41Å; Q309-P319 PolarHBondContact N-O 3.25Å; Q309-I321 HydrophobicContact CB-CG2 3.73Å; Q309-Y324 PolarHBondContact O-OH 3.45Å
310S96.8Very high97.4Very high68 Ų6855.4 Ų55.448%0.47630%0.302SS..SBendtrans65-164.4176.2-42.40000112.1E318 P319 Y324S310-E318 PolarHBondContact N-OE2 3.39Å; S310-E318 VanDerWaalsContact O-CA 3.29Å; S310-E318 WeakPolarHBondContact O-CA 3.16Å; S310-E318 WeakPolarHBondContact O-CB 3.37Å; S310-E318 VanDerWaalsContact O-CG 3.32Å; S310-E318 WeakPolarHBondContact O-CG 3.38Å; S310-P319 VanDerWaalsContact O-CD 3.28Å; S310-P319 WeakPolarHBondContact O-CD 3.48Å; S310-Y324 WeakPolarHBondContact CB-OH 3.46Å
311E95.4Very high97.4Very high114 Ų11456.4 Ų56.453%0.53331%0.307SS..  trans-133.4144.8-176.9-61.8177.8-175.700110Y324E311-Y324 VanDerWaalsContact C-OH 3.28Å; E311-Y324 PolarHBondContact N-OH 3.44Å; E311-Y324 PolarHBondContact O-OH 3.27Å
312I94.9Very high97.3Very high93 Ų9356.4 Ų56.448%0.47731%0.307SS..SBendtrans-97.1-43.3166.4-69.3169.3000109.4P319 D323 Y324I312-P319 HydrophobicContact CB-CG 4.49Å; I312-P319 HydrophobicContact CD1-CB 4.14Å; I312-P319 HydrophobicContact CD1-CG 3.74Å; I312-P319 HydrophobicContact CG1-CG 3.82Å; I312-D323 HydrophobicContact CD1-CB 4.07Å; I312-Y324 HydrophobicContact CD1-CD1 4.36Å; I312-Y324 HydrophobicContact CD1-CE1 4.16Å; I312-Y324 HydrophobicContact CG1-CD1 4.03Å; I312-Y324 HydrophobicContact CG1-CE1 3.43Å; I312-Y324 VanDerWaalsContact CG1-CE1 3.43Å
313R95.4Very high97.3Very high153 Ų15359.2 Ų59.258%0.57732%0.322SS*.SBendtrans-121.2127.1176.7-67172.6-176.1169.64108.6G315 E316R313-G315 PolarHBondContact O-N 2.97Å; R313-E316 HydrophobicContact CB-CB 4.43Å; R313-E316 HydrophobicContact CB-CG 4.05Å; R313-E316 VanDerWaalsContact CD-CD 3.47Å; R313-E316 WeakPolarHBondContact CD-OE1 3.38Å; R313-E316 WeakPolarHBondContact CD-OE2 3.5Å; R313-E316 IonicContact CZ-OE1 3.12Å; R313-E316 IonicContact NH1-OE1 2.83Å; R313-E316 PolarHBondContact NH1-OE1 3.14Å; R313-E316 VanDerWaalsContact NH1-OE1 3.12Å; R313-E316 IonicContact NH1-OE2 2.75Å; R313-E316 PolarHBondContact O-N 2.94Å
314P95.1Very high97.3Very high120 Ų12061.5 Ų61.578%0.77933%0.331SS*.THydrogen-bonded Turntrans-56130.2-179.8-26.634.8000112.1E316P314-E316 VanDerWaalsContact C-N 3.34Å
315G93.6Very high97.3Very high76 Ų7666 Ų6678%0.78435%0.352SS*.THydrogen-bonded Turntrans83.7-3.3177.800000115.9R313R313-G315 PolarHBondContact O-N 2.97Å
316E95.5Very high97.3Very high93 Ų9370.5 Ų70.544%0.43538%0.38SS..SBendtrans-82.8153.8165.1-69-175.5-174.900110.2R313 P314R313-E316 HydrophobicContact CB-CB 4.43Å; R313-E316 HydrophobicContact CB-CG 4.05Å; R313-E316 VanDerWaalsContact CD-CD 3.47Å; R313-E316 WeakPolarHBondContact CD-OE1 3.38Å; R313-E316 WeakPolarHBondContact CD-OE2 3.5Å; R313-E316 IonicContact CZ-OE1 3.12Å; R313-E316 IonicContact NH1-OE1 2.83Å; R313-E316 PolarHBondContact NH1-OE1 3.14Å; R313-E316 VanDerWaalsContact NH1-OE1 3.12Å; R313-E316 IonicContact NH1-OE2 2.75Å; R313-E316 PolarHBondContact O-N 2.94Å; P314-E316 VanDerWaalsContact C-N 3.34Å
317P96.4Very high97.3Very high119 Ų11971 Ų7177%0.77338%0.382SS*.PPolyproline II helixtrans-55.8151.1173.1-23.833.9000112.2
318E98.1Very high97.3Very high91 Ų9168.9 Ų68.943%0.42538%0.375SS..PPolyproline II helixtrans-54.9123.7177-59.7-171.4-102.400109.7H308 Q309 S310H308-E318 HydrophobicContact CB-CB 4.12Å; H308-E318 PolarHBondContact ND1-O 3.06Å; Q309-E318 VanDerWaalsContact C-OE2 3.28Å; Q309-E318 WeakPolarHBondContact CA-OE2 3.41Å; S310-E318 PolarHBondContact N-OE2 3.39Å; S310-E318 VanDerWaalsContact O-CA 3.29Å; S310-E318 WeakPolarHBondContact O-CA 3.16Å; S310-E318 WeakPolarHBondContact O-CB 3.37Å; S310-E318 VanDerWaalsContact O-CG 3.32Å; S310-E318 WeakPolarHBondContact O-CG 3.38Å
319P98.1Very high97.3Very high20 Ų2070.8 Ų70.813%0.1338%0.38CS..PPolyproline II helixtrans-78.7166.3-178.431.6-32.3000110.7H308 Q309 S310 I312 I321 D323 Y324H308-P319 VanDerWaalsContact CA-O 3.25Å; H308-P319 WeakPolarHBondContact CA-O 3.37Å; Q309-P319 PolarHBondContact N-O 3.25Å; S310-P319 VanDerWaalsContact O-CD 3.28Å; S310-P319 WeakPolarHBondContact O-CD 3.48Å; I312-P319 HydrophobicContact CB-CG 4.49Å; I312-P319 HydrophobicContact CD1-CB 4.14Å; I312-P319 HydrophobicContact CD1-CG 3.74Å; I312-P319 HydrophobicContact CG1-CG 3.82Å; P319-I321 PolarHBondContact O-N 3.42Å; P319-D323 HydrophobicContact CB-CB 4.41Å; P319-Y324 HydrophobicContact CG-CE2 4.15Å
320Q98.6Very high97.3Very high10 Ų1071.5 Ų71.55%0.04738%0.382CS..BIsolated β-bridgetrans-59.3136.6168.6-66.6165.9-6900108.4R7 E8 A305 R307 H308 L322 D323R7-Q320 VanDerWaalsContact NH2-OE1 3.08Å; E8-Q320 PolarHBondContact OE1-NE2 3.31Å; E8-Q320 PolarHBondContact OE1-OE1 2.88Å; A305-Q320 WeakPolarHBondContact O-CG 3.35Å; A305-Q320 PolarHBondContact O-NE2 3.42Å; R307-Q320 CarbonylContact O-C 3.48Å; R307-Q320 WeakPolarHBondContact O-CA 3.41Å; H308-Q320 VanDerWaalsContact NE2-CG 3.28Å; H308-Q320 WeakPolarHBondContact NE2-CG 3.15Å; Q320-L322 PolarHBondContact O-N 2.62Å; Q320-D323 VanDerWaalsContact O-CB 3.3Å; Q320-D323 WeakPolarHBondContact O-CB 3.42Å; Q320-D323 PolarHBondContact O-N 3Å
321I98.8Very high97.4Very high22 Ų2268.3 Ų68.311%0.11336%0.36CS..G310 helixtrans-63.1-20.718063.8171.5000111.9S304 R307 Q309 P319 D323 Y324 Q327S304-I321 WeakPolarHBondContact O-CG1 3.46Å; S304-I321 PolarHBondContact O-N 3.47Å; R307-I321 HydrophobicContact CB-CD1 3.88Å; R307-I321 HydrophobicContact CB-CG1 4.03Å; R307-I321 HydrophobicContact CG-CD1 3.91Å; R307-I321 HydrophobicContact CG-CG1 4.27Å; R307-I321 HydrophobicContact CG-CG2 3.97Å; R307-I321 PolarHBondContact O-N 3.03Å; Q309-I321 HydrophobicContact CB-CG2 3.73Å; P319-I321 PolarHBondContact O-N 3.42Å; I321-D323 PolarHBondContact O-N 2.88Å; I321-Y324 HydrophobicContact CB-CD2 4.46Å; I321-Y324 WeakPolarHBondContact O-CD2 3.48Å; I321-Y324 PolarHBondContact O-N 3.17Å; I321-Q327 WeakPolarHBondContact O-CB 3.15Å; I321-Q327 WeakPolarHBondContact O-CG 3.28Å
322L98.7Very high97.6Very high0 Ų062.9 Ų62.90%033%0.334CS..G310 helixtrans-65.3-14.9172.7-162.857.8000113.6I301 S304 A305 Q320 Y324 Q328 L331 F332 R600 A603I301-L322 HydrophobicContact CG2-CD2 4.41Å; S304-L322 WeakPolarHBondContact O-CB 3.14Å; S304-L322 PolarHBondContact O-N 3.5Å; S304-L322 VanDerWaalsContact O-N 3.15Å; A305-L322 HydrophobicContact CB-CD2 4.27Å; Q320-L322 PolarHBondContact O-N 2.62Å; L322-Y324 VanDerWaalsContact C-N 3.35Å; L322-Q328 WeakPolarHBondContact O-CG 3.35Å; L322-Q328 PolarHBondContact O-NE2 3.26Å; L322-L331 HydrophobicContact CD1-CD1 4.44Å; L322-F332 HydrophobicContact CD1-CE1 3.85Å; L322-F332 HydrophobicContact CD1-CZ 3.97Å; L322-F332 HydrophobicContact CG-CZ 4.41Å; L322-R600 WeakPolarHBondContact O-CD 3.23Å; L322-R600 PolarHBondContact O-NE 3.46Å; L322-A603 HydrophobicContact CD2-CB 4.31Å
323D98.4Very high97.8Very high61 Ų6158.6 Ų58.633%0.32631%0.313SS..G310 helixtrans-78.2-20.3177.4-64.4-22.4000113I312 P319 Q320 I321 Q325 Q328 R600I312-D323 HydrophobicContact CD1-CB 4.07Å; P319-D323 HydrophobicContact CB-CB 4.41Å; Q320-D323 VanDerWaalsContact O-CB 3.3Å; Q320-D323 WeakPolarHBondContact O-CB 3.42Å; Q320-D323 PolarHBondContact O-N 3Å; I321-D323 PolarHBondContact O-N 2.88Å; D323-Q325 PolarHBondContact O-N 2.98Å; D323-Q328 PolarHBondContact O-NE2 2.89Å; D323-R600 IonicContact OD1-CZ 2.77Å; D323-R600 IonicContact OD1-NE 3.46Å; D323-R600 PolarHBondContact OD1-NE 2.65Å; D323-R600 IonicContact OD1-NH2 3.44Å; D323-R600 PolarHBondContact OD1-NH2 3.18Å
324Y98.6Very high97.9Very high53 Ų5352.1 Ų52.121%0.20829%0.29CS..SBendtrans-71.2127.1175.2-66.8-78.4000111Q309 S310 E311 I312 P319 I321 L322 T326 Q327 Q328Q309-Y324 PolarHBondContact O-OH 3.45Å; S310-Y324 WeakPolarHBondContact CB-OH 3.46Å; E311-Y324 VanDerWaalsContact C-OH 3.28Å; E311-Y324 PolarHBondContact N-OH 3.44Å; E311-Y324 PolarHBondContact O-OH 3.27Å; I312-Y324 HydrophobicContact CD1-CD1 4.36Å; I312-Y324 HydrophobicContact CD1-CE1 4.16Å; I312-Y324 HydrophobicContact CG1-CD1 4.03Å; I312-Y324 HydrophobicContact CG1-CE1 3.43Å; I312-Y324 VanDerWaalsContact CG1-CE1 3.43Å; P319-Y324 HydrophobicContact CG-CE2 4.15Å; I321-Y324 HydrophobicContact CB-CD2 4.46Å; I321-Y324 WeakPolarHBondContact O-CD2 3.48Å; I321-Y324 PolarHBondContact O-N 3.17Å; L322-Y324 VanDerWaalsContact C-N 3.35Å; Y324-T326 PolarHBondContact O-N 2.7Å; Y324-T326 VanDerWaalsContact O-N 3.1Å; Y324-Q327 WeakPolarHBondContact O-CB 3.14Å; Y324-Q327 PolarHBondContact O-N 3.27Å; Y324-Q328 PolarHBondContact O-N 2.73Å; Y324-Q328 VanDerWaalsContact O-N 3.07Å
325Q98.1Very high98.1Very high94 Ų9446.4 Ų46.444%0.43925%0.252SS..Hα-helixtrans-55.1-32.9176.6-173.3-176.995.400112.1D323 Q328 Y329 L596D323-Q325 PolarHBondContact O-N 2.98Å; Q325-Q328 PolarHBondContact O-N 3.07Å; Q325-Y329 VanDerWaalsContact O-CB 3.25Å; Q325-Y329 WeakPolarHBondContact O-CB 3.47Å; Q325-Y329 PolarHBondContact O-N 2.69Å; Q325-L596 HydrophobicContact CG-CD1 4.17Å
326T98.4Very high98.4Very high96 Ų9642.8 Ų42.859%0.58922%0.215SC*.Hα-helixtrans-67.6-35.7176.851.10000112.6Y324 K330Y324-T326 PolarHBondContact O-N 2.7Å; Y324-T326 VanDerWaalsContact O-N 3.1Å; T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 2.96Å; T326-K330 PolarHBondContact O-N 3.06Å; T326-K330 VanDerWaalsContact O-N 3.13Å
327Q98.9Very high98.5Very high14 Ų1438.8 Ų38.87%0.06520%0.196CC..Hα-helixtrans-70.3-43174.5-17071.3-9.400110.9S304 I321 Y324 K330 L331 S395S304-Q327 PolarHBondContact OG-NE2 3.32Å; I321-Q327 WeakPolarHBondContact O-CB 3.15Å; I321-Q327 WeakPolarHBondContact O-CG 3.28Å; Y324-Q327 WeakPolarHBondContact O-CB 3.14Å; Y324-Q327 PolarHBondContact O-N 3.27Å; Q327-K330 WeakPolarHBondContact O-CB 3.45Å; Q327-K330 PolarHBondContact O-N 2.85Å; Q327-L331 HydrophobicContact CG-CD1 4.11Å; Q327-L331 WeakPolarHBondContact O-CG 3.34Å; Q327-L331 PolarHBondContact O-N 3.39Å; Q327-S395 PolarHBondContact NE2-O 3.25Å
328Q98.8Very high98.7Very high13 Ų1333.1 Ų33.16%0.06116%0.16CC..Hα-helixtrans-61.3-45.3175.3-62.4171.412.400111.5L322 D323 Y324 Q325 K330 L331 F332 L596L322-Q328 WeakPolarHBondContact O-CG 3.35Å; L322-Q328 PolarHBondContact O-NE2 3.26Å; D323-Q328 PolarHBondContact O-NE2 2.89Å; Y324-Q328 PolarHBondContact O-N 2.73Å; Y324-Q328 VanDerWaalsContact O-N 3.07Å; Q325-Q328 PolarHBondContact O-N 3.07Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 2.94Å; Q328-L331 PolarHBondContact O-N 2.89Å; Q328-F332 HydrophobicContact CB-CD2 3.83Å; Q328-F332 HydrophobicContact CB-CE2 3.65Å; Q328-F332 HydrophobicContact CB-CG 4.48Å; Q328-F332 HydrophobicContact CB-CZ 4.18Å; Q328-F332 HydrophobicContact CG-CD2 4.3Å; Q328-F332 HydrophobicContact CG-CE2 3.6Å; Q328-F332 HydrophobicContact CG-CZ 3.84Å; Q328-F332 WeakPolarHBondContact O-CB 3.47Å; Q328-F332 PolarHBondContact O-N 3.12Å; Q328-L596 HydrophobicContact CB-CB 4.21Å; Q328-L596 HydrophobicContact CB-CD1 4.15Å; Q328-L596 HydrophobicContact CB-CD2 4.32Å; Q328-L596 HydrophobicContact CB-CG 4.45Å
329Y98.7Very high98.7Very high97 Ų9728.8 Ų28.838%0.3814%0.139SC..Hα-helixtrans-64.6-30.1178.3-172.4-98.3000112.5Q325 P333 I592 L596Q325-Y329 VanDerWaalsContact O-CB 3.25Å; Q325-Y329 WeakPolarHBondContact O-CB 3.47Å; Q325-Y329 PolarHBondContact O-N 2.69Å; Y329-P333 VanDerWaalsContact O-CD 3.22Å; Y329-P333 WeakPolarHBondContact O-CD 3.27Å; Y329-P333 VanDerWaalsContact O-CG 3.3Å; Y329-P333 WeakPolarHBondContact O-CG 3.47Å; Y329-I592 HydrophobicContact CD2-CG2 4.04Å; Y329-I592 HydrophobicContact CE2-CG2 3.93Å; Y329-L596 HydrophobicContact CD2-CD1 4.1Å; Y329-L596 HydrophobicContact CG-CD1 4.5Å
330K98.7Very high98.7Very high95 Ų9527.8 Ų27.841%0.41313%0.133SC..Hα-helixtrans-70.4-44.2171.7-75171.9-176.4178.80112.3T326 Q327 Q328 L334 V391T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 2.96Å; T326-K330 PolarHBondContact O-N 3.06Å; T326-K330 VanDerWaalsContact O-N 3.13Å; Q327-K330 WeakPolarHBondContact O-CB 3.45Å; Q327-K330 PolarHBondContact O-N 2.85Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 2.94Å; K330-L334 VanDerWaalsContact O-CD1 3.23Å; K330-L334 WeakPolarHBondContact O-CD1 3.44Å; K330-L334 VanDerWaalsContact O-CG 3.25Å; K330-L334 WeakPolarHBondContact O-CG 3.4Å; K330-V391 HydrophobicContact CB-CG1 4.06Å; K330-V391 HydrophobicContact CG-CG1 4.38Å
331L98.9Very high98.7Very high0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-97-39.9-165.7-64.1-179.9000114.4A300 I301 S304 L322 Q327 Q328 L334 L335A300-L331 HydrophobicContact CB-CD1 4.21Å; A300-L331 HydrophobicContact CB-CD2 3.7Å; I301-L331 HydrophobicContact CD1-CB 4.46Å; I301-L331 HydrophobicContact CG1-CB 4.12Å; I301-L331 HydrophobicContact CG1-CD1 3.98Å; S304-L331 WeakPolarHBondContact OG-CD1 3.46Å; L322-L331 HydrophobicContact CD1-CD1 4.44Å; Q327-L331 HydrophobicContact CG-CD1 4.11Å; Q327-L331 WeakPolarHBondContact O-CG 3.34Å; Q327-L331 PolarHBondContact O-N 3.39Å; Q328-L331 PolarHBondContact O-N 2.89Å; L331-L334 WeakPolarHBondContact O-CB 3.24Å; L331-L334 PolarHBondContact O-N 2.63Å; L331-L334 VanDerWaalsContact O-N 3.14Å; L331-L335 PolarHBondContact O-N 2.87Å
332F98.9Very high98.7Very high0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-70.5-36.4-172.4-61.5-11.6000113.9L322 Q328 L334 L335 S336 L561 L596 L599 R600 A603L322-F332 HydrophobicContact CD1-CE1 3.85Å; L322-F332 HydrophobicContact CD1-CZ 3.97Å; L322-F332 HydrophobicContact CG-CZ 4.41Å; Q328-F332 HydrophobicContact CB-CD2 3.83Å; Q328-F332 HydrophobicContact CB-CE2 3.65Å; Q328-F332 HydrophobicContact CB-CG 4.48Å; Q328-F332 HydrophobicContact CB-CZ 4.18Å; Q328-F332 HydrophobicContact CG-CD2 4.3Å; Q328-F332 HydrophobicContact CG-CE2 3.6Å; Q328-F332 HydrophobicContact CG-CZ 3.84Å; Q328-F332 WeakPolarHBondContact O-CB 3.47Å; Q328-F332 PolarHBondContact O-N 3.12Å; F332-L334 PolarHBondContact O-N 3.1Å; F332-L335 WeakPolarHBondContact O-CB 3.41Å; F332-L335 PolarHBondContact O-N 2.78Å; F332-S336 PolarHBondContact O-N 3.38Å; F332-S336 PolarHBondContact O-OG 2.96Å; F332-L561 HydrophobicContact CB-CD2 3.79Å; F332-L596 HydrophobicContact CB-CD2 3.73Å; F332-L596 HydrophobicContact CD2-CB 4.27Å; F332-L596 HydrophobicContact CD2-CD2 3.76Å; F332-L596 WeakPolarHBondContact CE2-O 3.49Å; F332-L596 HydrophobicContact CG-CD2 4.18Å; F332-L599 HydrophobicContact CB-CD1 4.4Å; F332-L599 HydrophobicContact CD2-CB 3.97Å; F332-L599 HydrophobicContact CE2-CB 4.26Å; F332-R600 HydrophobicContact CE2-CB 4.06Å; F332-R600 HydrophobicContact CZ-CB 4.33Å; F332-A603 HydrophobicContact CD1-CB 4.41Å; F332-A603 HydrophobicContact CE1-CB 3.47Å; F332-A603 VanDerWaalsContact CE1-CB 3.47Å; F332-A603 HydrophobicContact CZ-CB 3.69Å
333P98.9Very high98.7Very high4 Ų427.7 Ų27.73%0.02613%0.134CC..Hα-helixtrans-60.4-34.5169.8-26.137000112.9Y329 S336 M337 L561 H565Y329-P333 VanDerWaalsContact O-CD 3.22Å; Y329-P333 WeakPolarHBondContact O-CD 3.27Å; Y329-P333 VanDerWaalsContact O-CG 3.3Å; Y329-P333 WeakPolarHBondContact O-CG 3.47Å; P333-S336 PolarHBondContact O-N 2.69Å; P333-M337 WeakPolarHBondContact O-CB 3.39Å; P333-M337 PolarHBondContact O-N 3.2Å; P333-L561 HydrophobicContact CG-CD1 4.44Å; P333-L561 HydrophobicContact CG-CD2 4.39Å; P333-H565 HydrophobicContact CB-CB 4.35Å
334L98.9Very high98.7Very high17 Ų1724.8 Ų24.89%0.08912%0.118CC..Hα-helixtrans-72.5-36.3176.6-53.2-178.1000111.7L293 K330 L331 F332 M337 A338 A388 V391L293-L334 HydrophobicContact CD1-CB 4.38Å; K330-L334 VanDerWaalsContact O-CD1 3.23Å; K330-L334 WeakPolarHBondContact O-CD1 3.44Å; K330-L334 VanDerWaalsContact O-CG 3.25Å; K330-L334 WeakPolarHBondContact O-CG 3.4Å; L331-L334 WeakPolarHBondContact O-CB 3.24Å; L331-L334 PolarHBondContact O-N 2.63Å; L331-L334 VanDerWaalsContact O-N 3.14Å; F332-L334 PolarHBondContact O-N 3.1Å; L334-M337 HydrophobicContact CD2-CE 3.83Å; L334-M337 WeakPolarHBondContact O-CB 3.34Å; L334-M337 PolarHBondContact O-N 3.11Å; L334-A338 PolarHBondContact O-N 3.33Å; L334-A388 HydrophobicContact CD1-CB 4.04Å; L334-A388 HydrophobicContact CD2-CB 3.6Å; L334-A388 HydrophobicContact CG-CB 4.26Å; L334-V391 HydrophobicContact CD1-CB 3.83Å; L334-V391 HydrophobicContact CD1-CG1 3.72Å
335L98.9Very high98.6Very high0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-61.5-48.4171179.461.5000111I301 L331 F332 M337 A338 Y339 L558 L606 V607 F610I301-L335 HydrophobicContact CD1-CB 4.12Å; I301-L335 HydrophobicContact CD1-CD1 4.34Å; I301-L335 HydrophobicContact CD1-CD2 3.91Å; I301-L335 HydrophobicContact CD1-CG 4.36Å; L331-L335 PolarHBondContact O-N 2.87Å; F332-L335 WeakPolarHBondContact O-CB 3.41Å; F332-L335 PolarHBondContact O-N 2.78Å; L335-M337 PolarHBondContact O-N 3.06Å; L335-A338 WeakPolarHBondContact O-CB 3.48Å; L335-A338 PolarHBondContact O-N 3.2Å; L335-A338 VanDerWaalsContact O-N 3.11Å; L335-Y339 HydrophobicContact CD1-CD2 4.22Å; L335-Y339 HydrophobicContact CD1-CE2 3.87Å; L335-Y339 HydrophobicContact CG-CE2 4.4Å; L335-Y339 WeakPolarHBondContact O-CD2 3.37Å; L335-Y339 PolarHBondContact O-N 2.8Å; L335-L558 HydrophobicContact CD2-CD2 4.35Å; L335-L558 HydrophobicContact CG-CD2 4.25Å; L335-L606 HydrophobicContact CD1-CB 4.47Å; L335-L606 HydrophobicContact CD2-CB 3.86Å; L335-L606 HydrophobicContact CD2-CD1 3.84Å; L335-V607 HydrophobicContact CD1-CG1 3.72Å; L335-F610 HydrophobicContact CD1-CE2 3.89Å; L335-F610 HydrophobicContact CD1-CZ 4.23Å
336S98.9Very high98.5Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-57.2-40.5174.5-63.30000112.1F332 P333 Y339 A340 L558F332-S336 PolarHBondContact O-N 3.38Å; F332-S336 PolarHBondContact O-OG 2.96Å; P333-S336 PolarHBondContact O-N 2.69Å; S336-Y339 PolarHBondContact O-N 3.38Å; S336-A340 WeakPolarHBondContact O-CB 3.17Å; S336-A340 PolarHBondContact O-N 2.82Å; S336-L558 WeakPolarHBondContact CB-O 3.33Å; S336-L558 WeakPolarHBondContact OG-CA 3.22Å; S336-L558 WeakPolarHBondContact OG-CD2 3.25Å; S336-L558 PolarHBondContact OG-O 3.48Å
337M98.9Very high98.3Very high8 Ų818 Ų184%0.0398%0.081CC..Hα-helixtrans-65.4-36.4176.7-175.8165.274.900112.8L293 P333 L334 L335 Y339 A340 F341 E384 A388 Y562L293-M337 HydrophobicContact CD1-CE 4.4Å; L293-M337 HydrophobicContact CD2-CB 3.97Å; L293-M337 HydrophobicContact CD2-CE 3.51Å; L293-M337 HydrophobicContact CD2-CG 3.73Å; L293-M337 HydrophobicContact CD2-SD 4.43Å; P333-M337 WeakPolarHBondContact O-CB 3.39Å; P333-M337 PolarHBondContact O-N 3.2Å; L334-M337 HydrophobicContact CD2-CE 3.83Å; L334-M337 WeakPolarHBondContact O-CB 3.34Å; L334-M337 PolarHBondContact O-N 3.11Å; L335-M337 PolarHBondContact O-N 3.06Å; M337-Y339 VanDerWaalsContact C-N 3.35Å; M337-Y339 PolarHBondContact O-N 3.24Å; M337-A340 PolarHBondContact O-N 2.95Å; M337-F341 HydrophobicContact CG-CD1 4.15Å; M337-F341 HydrophobicContact CG-CD2 4.05Å; M337-F341 HydrophobicContact CG-CE1 3.74Å; M337-F341 HydrophobicContact CG-CE2 3.65Å; M337-F341 HydrophobicContact CG-CG 4.29Å; M337-F341 HydrophobicContact CG-CZ 3.47Å; M337-F341 VanDerWaalsContact CG-CZ 3.47Å; M337-F341 WeakPolarHBondContact O-CB 3.44Å; M337-F341 WeakPolarHBondContact O-CG 3.37Å; M337-F341 PolarHBondContact O-N 3.08Å; M337-F341 HydrophobicContact SD-CE1 4.39Å; M337-F341 HydrophobicContact SD-CE2 3.96Å; M337-F341 HydrophobicContact SD-CZ 3.68Å; M337-E384 HydrophobicContact CE-CB 4.11Å; M337-E384 HydrophobicContact SD-CB 3.72Å; M337-E384 HydrophobicContact SD-CG 4.33Å; M337-A388 HydrophobicContact CE-CB 3.51Å; M337-Y562 HydrophobicContact CB-CD2 3.99Å; M337-Y562 HydrophobicContact CB-CE2 3.92Å; M337-Y562 HydrophobicContact CG-CD2 4.47Å; M337-Y562 HydrophobicContact CG-CE2 3.89Å; M337-Y562 HydrophobicContact SD-CE2 4.38Å
338A98.9Very high98.1Very high0 Ų017.4 Ų17.40%08%0.078CC..Hα-helixtrans-59.4-44.717500000111.9L293 L334 L335 T342 F610L293-A338 HydrophobicContact CB-CB 4.37Å; L293-A338 HydrophobicContact CD2-CB 4.09Å; L293-A338 HydrophobicContact CG-CB 3.88Å; L334-A338 PolarHBondContact O-N 3.33Å; L335-A338 WeakPolarHBondContact O-CB 3.48Å; L335-A338 PolarHBondContact O-N 3.2Å; L335-A338 VanDerWaalsContact O-N 3.11Å; A338-T342 WeakPolarHBondContact O-CB 3.49Å; A338-T342 PolarHBondContact O-N 3.15Å; A338-T342 PolarHBondContact O-OG1 3.46Å; A338-F610 HydrophobicContact CB-CE2 4.48Å; A338-F610 HydrophobicContact CB-CZ 3.88Å
339Y98.9Very high97.8Very high0 Ų019.3 Ų19.30%09%0.091CC..Hα-helixtrans-65.7-45.4174.4-81.9-88.5000112L19 L23 L335 S336 M337 F341 T342 F343 L555 L558 L606 F610L19-Y339 HydrophobicContact CD1-CE1 4.16Å; L19-Y339 HydrophobicContact CD2-CE1 3.99Å; L19-Y339 WeakPolarHBondContact CD2-OH 3.1Å; L19-Y339 HydrophobicContact CG-CE1 4.32Å; L23-Y339 HydrophobicContact CD1-CE1 4.01Å; L23-Y339 HydrophobicContact CD2-CD1 3.99Å; L23-Y339 HydrophobicContact CD2-CE1 3.86Å; L23-Y339 HydrophobicContact CG-CE1 4.42Å; L335-Y339 HydrophobicContact CD1-CD2 4.22Å; L335-Y339 HydrophobicContact CD1-CE2 3.87Å; L335-Y339 HydrophobicContact CG-CE2 4.4Å; L335-Y339 WeakPolarHBondContact O-CD2 3.37Å; L335-Y339 PolarHBondContact O-N 2.8Å; S336-Y339 PolarHBondContact O-N 3.38Å; M337-Y339 VanDerWaalsContact C-N 3.35Å; M337-Y339 PolarHBondContact O-N 3.24Å; Y339-F341 VanDerWaalsContact C-N 3.33Å; Y339-F341 PolarHBondContact O-N 3.32Å; Y339-T342 WeakPolarHBondContact O-CB 3.27Å; Y339-T342 PolarHBondContact O-N 3.34Å; Y339-T342 VanDerWaalsContact O-N 3.16Å; Y339-F343 HydrophobicContact CD1-CZ 4.3Å; Y339-F343 VanDerWaalsContact O-CD2 3.29Å; Y339-F343 WeakPolarHBondContact O-CD2 3.36Å; Y339-F343 WeakPolarHBondContact O-CG 3.4Å; Y339-F343 PolarHBondContact O-N 3.3Å; Y339-F343 VanDerWaalsContact O-N 3.1Å; Y339-L555 HydrophobicContact CD1-CD2 3.7Å; Y339-L555 HydrophobicContact CE1-CD2 3.89Å; Y339-L555 HydrophobicContact CG-CD2 4.36Å; Y339-L558 HydrophobicContact CD2-CD1 3.63Å; Y339-L558 HydrophobicContact CE2-CD1 3.95Å; Y339-L558 HydrophobicContact CG-CD1 4Å; Y339-L606 HydrophobicContact CE2-CB 4.4Å; Y339-L606 HydrophobicContact CE2-CD2 4.26Å; Y339-L606 PolarHBondContact OH-O 3.04Å; Y339-F610 HydrophobicContact CD2-CE1 4.24Å; Y339-F610 AromaticContact CD2-CZ 3.74Å; Y339-F610 HydrophobicContact CD2-CZ 3.74Å; Y339-F610 HydrophobicContact CE1-CE1 4.25Å; Y339-F610 AromaticContact CE2-CE1 3.89Å; Y339-F610 HydrophobicContact CE2-CE1 3.89Å; Y339-F610 HydrophobicContact CE2-CE2 4.09Å; Y339-F610 AromaticContact CE2-CZ 3.38Å; Y339-F610 HydrophobicContact CE2-CZ 3.38Å; Y339-F610 HydrophobicContact CG-CZ 4.45Å; Y339-F610 AromaticContact CZ-CE1 3.89Å; Y339-F610 AromaticContact CZ-CZ 3.84Å
340A98.8Very high97.4Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-57.2-46.5177.500000111.6S336 M337 T342 F343 V344 V535 F539 Y562S336-A340 WeakPolarHBondContact O-CB 3.17Å; S336-A340 PolarHBondContact O-N 2.82Å; M337-A340 PolarHBondContact O-N 2.95Å; A340-T342 VanDerWaalsContact C-N 3.34Å; A340-T342 PolarHBondContact O-N 2.72Å; A340-F343 PolarHBondContact O-N 2.98Å; A340-V344 VanDerWaalsContact O-CG2 3.25Å; A340-V344 WeakPolarHBondContact O-CG2 3.45Å; A340-V344 PolarHBondContact O-N 3.13Å; A340-V535 HydrophobicContact CB-CG1 3.66Å; A340-F539 HydrophobicContact CB-CD1 3.5Å; A340-F539 HydrophobicContact CB-CE1 3.86Å; A340-F539 HydrophobicContact CB-CG 4.4Å; A340-Y562 HydrophobicContact CB-CD1 4.44Å; A340-Y562 HydrophobicContact CB-CD2 4.36Å; A340-Y562 HydrophobicContact CB-CE1 4.44Å; A340-Y562 HydrophobicContact CB-CE2 4.34Å; A340-Y562 HydrophobicContact CB-CG 4.41Å
341F98.8Very high97.1Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-70.4-30.7179.1-69.81.5000112.4A290 L293 M337 Y339 V344 G345 F380 T381 E384 T385 V535A290-F341 HydrophobicContact CB-CB 3.81Å; L293-F341 HydrophobicContact CD2-CD2 4.28Å; M337-F341 HydrophobicContact CG-CD1 4.15Å; M337-F341 HydrophobicContact CG-CD2 4.05Å; M337-F341 HydrophobicContact CG-CE1 3.74Å; M337-F341 HydrophobicContact CG-CE2 3.65Å; M337-F341 HydrophobicContact CG-CG 4.29Å; M337-F341 HydrophobicContact CG-CZ 3.47Å; M337-F341 VanDerWaalsContact CG-CZ 3.47Å; M337-F341 WeakPolarHBondContact O-CB 3.44Å; M337-F341 WeakPolarHBondContact O-CG 3.37Å; M337-F341 PolarHBondContact O-N 3.08Å; M337-F341 HydrophobicContact SD-CE1 4.39Å; M337-F341 HydrophobicContact SD-CE2 3.96Å; M337-F341 HydrophobicContact SD-CZ 3.68Å; Y339-F341 VanDerWaalsContact C-N 3.33Å; Y339-F341 PolarHBondContact O-N 3.32Å; F341-V344 PolarHBondContact O-N 3.42Å; F341-G345 PolarHBondContact O-N 2.91Å; F341-F380 HydrophobicContact CE1-CD1 4.26Å; F341-F380 AromaticContact CE1-CE1 3.91Å; F341-F380 HydrophobicContact CE1-CE1 3.91Å; F341-F380 HydrophobicContact CZ-CD1 4.32Å; F341-F380 HydrophobicContact CZ-CE1 4.09Å; F341-T381 HydrophobicContact CD1-CG2 3.81Å; F341-T381 HydrophobicContact CD2-CG2 4.01Å; F341-T381 HydrophobicContact CE1-CG2 3.83Å; F341-T381 HydrophobicContact CE2-CG2 4.01Å; F341-T381 WeakPolarHBondContact CE2-O 3.11Å; F341-T381 HydrophobicContact CG-CG2 3.91Å; F341-T381 HydrophobicContact CZ-CG2 3.93Å; F341-E384 HydrophobicContact CE2-CB 3.98Å; F341-E384 HydrophobicContact CZ-CB 3.75Å; F341-E384 HydrophobicContact CZ-CG 4.32Å; F341-T385 WeakPolarHBondContact CD2-OG1 3.42Å; F341-T385 WeakPolarHBondContact CE2-OG1 3.3Å; F341-V535 HydrophobicContact CD1-CG1 4.21Å; F341-V535 HydrophobicContact CE1-CG1 4.23Å; F341-V535 HydrophobicContact CE1-CG2 4.35Å
342T98.5Very high96.6Very high25 Ų2517.5 Ų17.515%0.1539%0.087CC..Hα-helixtrans-60.7-48.9173.3-59.70000110.4L23 A338 Y339 A340 V344 G345 Q346L23-T342 HydrophobicContact CD2-CG2 4.06Å; A338-T342 WeakPolarHBondContact O-CB 3.49Å; A338-T342 PolarHBondContact O-N 3.15Å; A338-T342 PolarHBondContact O-OG1 3.46Å; Y339-T342 WeakPolarHBondContact O-CB 3.27Å; Y339-T342 PolarHBondContact O-N 3.34Å; Y339-T342 VanDerWaalsContact O-N 3.16Å; A340-T342 VanDerWaalsContact C-N 3.34Å; A340-T342 PolarHBondContact O-N 2.72Å; T342-V344 PolarHBondContact O-N 3.12Å; T342-G345 PolarHBondContact O-N 3.23Å; T342-Q346 WeakPolarHBondContact O-CG 3.49Å; T342-Q346 PolarHBondContact O-N 3.31Å
343F98.3Very high96.2Very high4 Ų422.1 Ų22.12%0.01811%0.108CC..Hα-helixtrans-68.2-35.7179.2-58.3-37.8000112.9L23 Y339 A340 Q346 Y347 V538 F539 K542 L555L23-F343 HydrophobicContact CD2-CE1 3.99Å; L23-F343 HydrophobicContact CD2-CZ 4.31Å; Y339-F343 HydrophobicContact CD1-CZ 4.3Å; Y339-F343 VanDerWaalsContact O-CD2 3.29Å; Y339-F343 WeakPolarHBondContact O-CD2 3.36Å; Y339-F343 WeakPolarHBondContact O-CG 3.4Å; Y339-F343 PolarHBondContact O-N 3.3Å; Y339-F343 VanDerWaalsContact O-N 3.1Å; A340-F343 PolarHBondContact O-N 2.98Å; F343-Q346 PolarHBondContact O-N 3.32Å; F343-Y347 WeakPolarHBondContact O-CB 3.44Å; F343-Y347 PolarHBondContact O-N 2.88Å; F343-V538 HydrophobicContact CB-CG1 4.23Å; F343-F539 AromaticContact CD2-CD2 3.7Å; F343-F539 HydrophobicContact CD2-CD2 3.7Å; F343-F539 AromaticContact CD2-CE2 3.91Å; F343-F539 HydrophobicContact CD2-CE2 3.91Å; F343-F539 HydrophobicContact CD2-CG 4.31Å; F343-F539 AromaticContact CE2-CD2 3.81Å; F343-F539 HydrophobicContact CE2-CD2 3.81Å; F343-F539 AromaticContact CE2-CE2 3.56Å; F343-F539 HydrophobicContact CE2-CE2 3.56Å; F343-F539 HydrophobicContact CE2-CZ 4.29Å; F343-K542 HydrophobicContact CB-CB 4.4Å; F343-K542 HydrophobicContact CB-CG 4.38Å; F343-K542 HydrophobicContact CD1-CD 4.05Å; F343-K542 HydrophobicContact CD1-CG 3.69Å; F343-K542 HydrophobicContact CD2-CB 4.13Å; F343-K542 HydrophobicContact CD2-CG 3.96Å; F343-K542 HydrophobicContact CE1-CD 4.38Å; F343-K542 HydrophobicContact CE1-CG 3.85Å; F343-K542 HydrophobicContact CE2-CG 4.11Å; F343-K542 HydrophobicContact CG-CB 4.13Å; F343-K542 HydrophobicContact CG-CD 4.4Å; F343-K542 HydrophobicContact CG-CG 3.75Å; F343-K542 HydrophobicContact CZ-CG 4.06Å; F343-L555 HydrophobicContact CZ-CD1 4.33Å
344V97.8Very high95.7Very high0 Ų028 Ų280%013%0.13CC..Hα-helixtrans-69.1-35174.5174.90000111.9V286 A340 F341 T342 Y347 M348 L377 V535 V538V286-V344 HydrophobicContact CG1-CG1 3.9Å; A340-V344 VanDerWaalsContact O-CG2 3.25Å; A340-V344 WeakPolarHBondContact O-CG2 3.45Å; A340-V344 PolarHBondContact O-N 3.13Å; F341-V344 PolarHBondContact O-N 3.42Å; T342-V344 PolarHBondContact O-N 3.12Å; V344-Y347 PolarHBondContact O-N 3.4Å; V344-M348 WeakPolarHBondContact O-CB 3.39Å; V344-M348 WeakPolarHBondContact O-CG 3.44Å; V344-M348 PolarHBondContact O-N 3.36Å; V344-L377 HydrophobicContact CG1-CD1 3.73Å; V344-L377 HydrophobicContact CG1-CD2 4.06Å; V344-L377 HydrophobicContact CG1-CG 4.43Å; V344-V535 HydrophobicContact CG2-CB 4.11Å; V344-V535 HydrophobicContact CG2-CG1 3.97Å; V344-V535 HydrophobicContact CG2-CG2 3.99Å; V344-V538 HydrophobicContact CG2-CB 3.91Å; V344-V538 HydrophobicContact CG2-CG1 3.89Å; V344-V538 HydrophobicContact CG2-CG2 4.45Å
345G96.7Very high95.2Very high4 Ų427.4 Ų27.44%0.04113%0.127CC..Hα-helixtrans-61.4-48.5171.800000111.9F341 T342 Y347 M348 T349F341-G345 PolarHBondContact O-N 2.91Å; T342-G345 PolarHBondContact O-N 3.23Å; G345-Y347 PolarHBondContact O-N 3.35Å; G345-M348 PolarHBondContact O-N 3.46Å; G345-T349 PolarHBondContact O-N 3.21Å; G345-T349 PolarHBondContact O-OG1 2.87Å
346Q95.3Very high94.5Very high44 Ų4428 Ų2821%0.20613%0.131CC..Hα-helixtrans-56.9-48.2174.8-69.1173.7-4.300111.4L23 T342 F343 M348 T349 E350L23-Q346 PolarHBondContact O-NE2 3.14Å; T342-Q346 WeakPolarHBondContact O-CG 3.49Å; T342-Q346 PolarHBondContact O-N 3.31Å; F343-Q346 PolarHBondContact O-N 3.32Å; Q346-M348 VanDerWaalsContact C-N 3.34Å; Q346-M348 PolarHBondContact O-N 2.93Å; Q346-T349 WeakPolarHBondContact O-CB 3.37Å; Q346-T349 PolarHBondContact O-N 3.21Å; Q346-E350 WeakPolarHBondContact O-CG 3.45Å; Q346-E350 PolarHBondContact O-N 3.38Å
347Y95.4Very high93.9Very high54 Ų5433.8 Ų33.821%0.21216%0.158CC..Hα-helixtrans-58.3-42.3176.4170.4-105.4000113F343 V344 G345 E350 I351 L373 V534 V538F343-Y347 WeakPolarHBondContact O-CB 3.44Å; F343-Y347 PolarHBondContact O-N 2.88Å; V344-Y347 PolarHBondContact O-N 3.4Å; G345-Y347 PolarHBondContact O-N 3.35Å; Y347-E350 PolarHBondContact O-N 2.91Å; Y347-I351 HydrophobicContact CD1-CD1 4.22Å; Y347-I351 HydrophobicContact CD2-CD1 4.08Å; Y347-I351 HydrophobicContact CD2-CG1 4.34Å; Y347-I351 HydrophobicContact CE1-CD1 3.55Å; Y347-I351 HydrophobicContact CE2-CD1 3.37Å; Y347-I351 HydrophobicContact CE2-CG1 4.02Å; Y347-I351 HydrophobicContact CG-CD1 4.47Å; Y347-I351 WeakPolarHBondContact O-CG1 3.23Å; Y347-I351 PolarHBondContact O-N 3.22Å; Y347-I351 WeakPolarHBondContact OH-CD1 3.29Å; Y347-L373 HydrophobicContact CE1-CD2 4.07Å; Y347-V534 HydrophobicContact CE1-CG1 4.32Å; Y347-V538 HydrophobicContact CD1-CG2 3.84Å; Y347-V538 HydrophobicContact CD2-CG2 4.26Å; Y347-V538 HydrophobicContact CE1-CG2 4.01Å; Y347-V538 HydrophobicContact CE2-CG2 4.43Å; Y347-V538 HydrophobicContact CG-CG1 4.34Å; Y347-V538 HydrophobicContact CG-CG2 3.94Å
348M94.6Very high93.4Very high0 Ų035.3 Ų35.30%017%0.167CC..Hα-helixtrans-66.2-36.3177.3-81.2-59.7-53.700112.9S283 V286 V344 G345 Q346 Y352 L370 L373 L377S283-M348 VanDerWaalsContact OG-C 3.23Å; S283-M348 PolarHBondContact OG-O 3.35Å; S283-M348 VanDerWaalsContact OG-O 3.08Å; V286-M348 HydrophobicContact CG1-CG 4.41Å; V286-M348 HydrophobicContact CG2-CG 4.42Å; V344-M348 WeakPolarHBondContact O-CB 3.39Å; V344-M348 WeakPolarHBondContact O-CG 3.44Å; V344-M348 PolarHBondContact O-N 3.36Å; G345-M348 PolarHBondContact O-N 3.46Å; Q346-M348 VanDerWaalsContact C-N 3.34Å; Q346-M348 PolarHBondContact O-N 2.93Å; M348-Y352 VanDerWaalsContact O-CB 3.23Å; M348-Y352 WeakPolarHBondContact O-CB 3.22Å; M348-Y352 PolarHBondContact O-N 3.38Å; M348-L370 HydrophobicContact CE-CD1 4.31Å; M348-L373 HydrophobicContact SD-CD2 3.92Å; M348-L373 HydrophobicContact SD-CG 3.9Å; M348-L377 HydrophobicContact CG-CD1 3.77Å; M348-L377 HydrophobicContact SD-CD1 3.6Å
349T91.6Very high92.6Very high54 Ų5436.7 Ų36.733%0.33117%0.174SC..Hα-helixtrans-63.7-49.7173.3-62.70000110.7G345 Q346 I351 Y352 H353G345-T349 PolarHBondContact O-N 3.21Å; G345-T349 PolarHBondContact O-OG1 2.87Å; Q346-T349 WeakPolarHBondContact O-CB 3.37Å; Q346-T349 PolarHBondContact O-N 3.21Å; T349-I351 PolarHBondContact O-N 3.49Å; T349-Y352 PolarHBondContact O-N 3Å; T349-H353 PolarHBondContact O-CD2 3.14Å; T349-H353 PolarHBondContact O-N 3.37Å
350E91.8Very high91.8Very high125 Ų12542.7 Ų42.758%0.58421%0.206SC*.Hα-helixtrans-58.1-48178.4-70.9170.8-16800112.2Q346 Y347 Y352 H353 R354Q346-E350 WeakPolarHBondContact O-CG 3.45Å; Q346-E350 PolarHBondContact O-N 3.38Å; Y347-E350 PolarHBondContact O-N 2.91Å; E350-Y352 VanDerWaalsContact C-N 3.35Å; E350-Y352 PolarHBondContact O-N 3.08Å; E350-H353 PolarHBondContact O-N 3.33Å; E350-R354 PolarHBondContact O-N 2.74Å; E350-R354 VanDerWaalsContact O-N 3.1Å
351I90.9Very high91.2Very high16 Ų1650.3 Ų50.38%0.08224%0.241CC..Hα-helixtrans-63.3-42178.8-74.7-168.8000111.7Y347 T349 I355 L370 L373Y347-I351 HydrophobicContact CD1-CD1 4.22Å; Y347-I351 HydrophobicContact CD2-CD1 4.08Å; Y347-I351 HydrophobicContact CD2-CG1 4.34Å; Y347-I351 HydrophobicContact CE1-CD1 3.55Å; Y347-I351 HydrophobicContact CE2-CD1 3.37Å; Y347-I351 HydrophobicContact CE2-CG1 4.02Å; Y347-I351 HydrophobicContact CG-CD1 4.47Å; Y347-I351 WeakPolarHBondContact O-CG1 3.23Å; Y347-I351 PolarHBondContact O-N 3.22Å; Y347-I351 WeakPolarHBondContact OH-CD1 3.29Å; T349-I351 PolarHBondContact O-N 3.49Å; I351-I355 HydrophobicContact CG2-CD1 3.59Å; I351-I355 HydrophobicContact CG2-CG1 4.4Å; I351-I355 WeakPolarHBondContact O-CB 3.31Å; I351-I355 WeakPolarHBondContact O-CG1 3.24Å; I351-I355 PolarHBondContact O-N 3.46Å; I351-L370 HydrophobicContact CG2-CD1 3.88Å; I351-L373 HydrophobicContact CD1-CD2 4.34Å
352Y90Very high90.5Very high13 Ų1352.5 Ų52.55%0.05126%0.264CS..Hα-helixtrans-62.4-42.9179.7169.1-92.4000112R113 V279 F280 M348 T349 E350 S356 L370R113-Y352 PolarHBondContact NH1-OH 2.93Å; R113-Y352 PolarHBondContact NH2-OH 3.41Å; V279-Y352 HydrophobicContact CG1-CD2 4.22Å; V279-Y352 HydrophobicContact CG1-CE2 4.49Å; F280-Y352 HydrophobicContact CB-CE1 4.41Å; F280-Y352 HydrophobicContact CB-CE2 3.69Å; F280-Y352 VanDerWaalsContact CB-OH 3.23Å; F280-Y352 WeakPolarHBondContact CB-OH 3.07Å; F280-Y352 HydrophobicContact CD2-CD1 4.02Å; F280-Y352 AromaticContact CD2-CE1 3.35Å; F280-Y352 HydrophobicContact CD2-CE1 3.35Å; F280-Y352 HydrophobicContact CD2-CE2 4.13Å; F280-Y352 AromaticContact CD2-CZ 3.4Å; F280-Y352 WeakPolarHBondContact CD2-OH 3.25Å; F280-Y352 HydrophobicContact CE2-CE1 4.02Å; F280-Y352 HydrophobicContact CG-CE1 4.23Å; F280-Y352 HydrophobicContact CG-CE2 4.37Å; F280-Y352 AromaticContact CG-CZ 3.81Å; F280-Y352 WeakPolarHBondContact CG-OH 3.32Å; M348-Y352 VanDerWaalsContact O-CB 3.23Å; M348-Y352 WeakPolarHBondContact O-CB 3.22Å; M348-Y352 PolarHBondContact O-N 3.38Å; T349-Y352 PolarHBondContact O-N 3Å; E350-Y352 VanDerWaalsContact C-N 3.35Å; E350-Y352 PolarHBondContact O-N 3.08Å; Y352-S356 VanDerWaalsContact O-CB 3.26Å; Y352-S356 WeakPolarHBondContact O-CB 3.5Å; Y352-S356 PolarHBondContact O-N 3.31Å; Y352-S356 PolarHBondContact O-OG 2.65Å; Y352-L370 HydrophobicContact CD2-CD2 4.36Å
353H89Confident89.9Confident96 Ų9654.8 Ų54.844%0.44428%0.275SS..Hα-helixtrans-64.1-49.8178.2-76-63.2000111.4T349 E350 I355 S356 E357T349-H353 PolarHBondContact O-CD2 3.14Å; T349-H353 PolarHBondContact O-N 3.37Å; E350-H353 PolarHBondContact O-N 3.33Å; H353-I355 PolarHBondContact O-N 3.14Å; H353-S356 WeakPolarHBondContact O-CB 3.48Å; H353-S356 PolarHBondContact O-N 3.08Å; H353-S356 VanDerWaalsContact O-N 3.13Å; H353-E357 PolarHBondContact O-N 3.39Å
354R89.5Confident89.3Confident128 Ų12858 Ų5848%0.48329%0.289SS..Hα-helixtrans-54.6-50.8177.2-178.1179.460125.13.3112.4E350 S356 E357 D358E350-R354 PolarHBondContact O-N 2.74Å; E350-R354 VanDerWaalsContact O-N 3.1Å; R354-S356 VanDerWaalsContact C-N 3.3Å; R354-S356 PolarHBondContact O-N 2.94Å; R354-E357 WeakPolarHBondContact O-CB 3.45Å; R354-E357 PolarHBondContact O-N 3.14Å; R354-D358 PolarHBondContact O-N 3.3Å
355I87.1Confident88.7Confident5 Ų561.4 Ų61.43%0.02631%0.313CS..Hα-helixtrans-71-27.8-178.4-64.9172.8000111.6I351 H353 E357 D358 I359 Q366 L370I351-I355 HydrophobicContact CG2-CD1 3.59Å; I351-I355 HydrophobicContact CG2-CG1 4.4Å; I351-I355 WeakPolarHBondContact O-CB 3.31Å; I351-I355 WeakPolarHBondContact O-CG1 3.24Å; I351-I355 PolarHBondContact O-N 3.46Å; H353-I355 PolarHBondContact O-N 3.14Å; I355-E357 VanDerWaalsContact C-N 3.32Å; I355-D358 PolarHBondContact O-N 2.9Å; I355-I359 HydrophobicContact CG2-CD1 4.09Å; I355-I359 HydrophobicContact CG2-CG1 4.49Å; I355-I359 WeakPolarHBondContact O-CD1 3.49Å; I355-I359 VanDerWaalsContact O-CG1 3.24Å; I355-I359 WeakPolarHBondContact O-CG1 3.4Å; I355-I359 PolarHBondContact O-N 2.92Å; I355-Q366 HydrophobicContact CD1-CB 3.83Å; I355-Q366 HydrophobicContact CG1-CB 3.91Å; I355-Q366 HydrophobicContact CG2-CB 4.18Å; I355-L370 HydrophobicContact CB-CD2 4.02Å; I355-L370 HydrophobicContact CD1-CB 3.7Å; I355-L370 HydrophobicContact CD1-CD1 4.38Å; I355-L370 HydrophobicContact CD1-CD2 4.25Å; I355-L370 HydrophobicContact CD1-CG 4.31Å; I355-L370 HydrophobicContact CG2-CB 4.44Å; I355-L370 HydrophobicContact CG2-CD2 3.74Å
356S84.7Confident88.3Confident13 Ų1363.8 Ų63.89%0.09132%0.323CS..Hα-helixtrans-67-34.1173-660000112.1Y352 H353 R354 N360Y352-S356 VanDerWaalsContact O-CB 3.26Å; Y352-S356 WeakPolarHBondContact O-CB 3.5Å; Y352-S356 PolarHBondContact O-N 3.31Å; Y352-S356 PolarHBondContact O-OG 2.65Å; H353-S356 WeakPolarHBondContact O-CB 3.48Å; H353-S356 PolarHBondContact O-N 3.08Å; H353-S356 VanDerWaalsContact O-N 3.13Å; R354-S356 VanDerWaalsContact C-N 3.3Å; R354-S356 PolarHBondContact O-N 2.94Å; S356-N360 VanDerWaalsContact O-CG 3.29Å; S356-N360 PolarHBondContact O-N 2.92Å; S356-N360 PolarHBondContact O-ND2 3.19Å
357E87.1Confident87.9Confident121 Ų12162.4 Ų62.457%0.56532%0.317SS*.Hα-helixtrans-65.9-45.6172.8-69.6174.3-177.500111.3H353 R354 I355 I359 N360 Q361H353-E357 PolarHBondContact O-N 3.39Å; R354-E357 WeakPolarHBondContact O-CB 3.45Å; R354-E357 PolarHBondContact O-N 3.14Å; I355-E357 VanDerWaalsContact C-N 3.32Å; E357-I359 VanDerWaalsContact C-N 3.3Å; E357-I359 PolarHBondContact O-N 3.49Å; E357-N360 WeakPolarHBondContact O-CB 3.47Å; E357-N360 PolarHBondContact O-N 3.14Å; E357-N360 VanDerWaalsContact O-N 3.1Å; E357-Q361 PolarHBondContact O-N 3.13Å
358D86.8Confident87.6Confident40 Ų4061.8 Ų61.821%0.21432%0.32CS..Hα-helixtrans-56.1-44.7175.3-62.5-22000111.5R354 I355 N360 Q361 G362 D363R354-D358 PolarHBondContact O-N 3.3Å; I355-D358 PolarHBondContact O-N 2.9Å; D358-N360 VanDerWaalsContact C-N 3.32Å; D358-N360 PolarHBondContact O-N 2.99Å; D358-Q361 CarbonylContact O-C 3.5Å; D358-Q361 WeakPolarHBondContact O-CA 3.24Å; D358-Q361 WeakPolarHBondContact O-CB 3.42Å; D358-Q361 PolarHBondContact O-N 2.71Å; D358-G362 PolarHBondContact O-N 3.3Å; D358-G362 VanDerWaalsContact O-N 3.16Å; D358-D363 CarbonylContact C-O 3.5Å; D358-D363 HydrophobicContact CB-CB 4.25Å; D358-D363 PolarHBondContact O-N 3.39Å
359I83.6Confident87.4Confident28 Ų2862.9 Ų62.914%0.14433%0.325CS..Hα-helixtrans-61-40.1177.4-73.7166.9000111.8L273 I355 E357 Q361 G362 D363 F364 L367L273-I359 HydrophobicContact CD2-CG2 4.28Å; I355-I359 HydrophobicContact CG2-CD1 4.09Å; I355-I359 HydrophobicContact CG2-CG1 4.49Å; I355-I359 WeakPolarHBondContact O-CD1 3.49Å; I355-I359 VanDerWaalsContact O-CG1 3.24Å; I355-I359 WeakPolarHBondContact O-CG1 3.4Å; I355-I359 PolarHBondContact O-N 2.92Å; E357-I359 VanDerWaalsContact C-N 3.3Å; E357-I359 PolarHBondContact O-N 3.49Å; I359-Q361 PolarHBondContact O-N 3.14Å; I359-G362 PolarHBondContact O-N 3.42Å; I359-D363 WeakPolarHBondContact CA-O 3.48Å; I359-D363 PolarHBondContact N-O 2.96Å; I359-F364 HydrophobicContact CG1-CD1 4.22Å; I359-F364 HydrophobicContact CG2-CD1 4.46Å; I359-F364 HydrophobicContact CG2-CE1 4.06Å; I359-L367 HydrophobicContact CD1-CD1 4.08Å
360N81.8Confident87.4Confident126 Ų12660.4 Ų60.467%0.67431%0.31SS*.Hα-helixtrans-67.3-24.4177.7-70.8-28.2000112.1S356 E357 D358 G362S356-N360 VanDerWaalsContact O-CG 3.29Å; S356-N360 PolarHBondContact O-N 2.92Å; S356-N360 PolarHBondContact O-ND2 3.19Å; E357-N360 WeakPolarHBondContact O-CB 3.47Å; E357-N360 PolarHBondContact O-N 3.14Å; E357-N360 VanDerWaalsContact O-N 3.1Å; D358-N360 VanDerWaalsContact C-N 3.32Å; D358-N360 PolarHBondContact O-N 2.99Å; N360-G362 VanDerWaalsContact C-N 3.33Å
361Q86Confident87.4Confident160 Ų16056.1 Ų56.175%0.74829%0.29SS*.THydrogen-bonded Turntrans-87.9-1.2173.3-61.51782000113E357 D358 I359E357-Q361 PolarHBondContact O-N 3.13Å; D358-Q361 CarbonylContact O-C 3.5Å; D358-Q361 WeakPolarHBondContact O-CA 3.24Å; D358-Q361 WeakPolarHBondContact O-CB 3.42Å; D358-Q361 PolarHBondContact O-N 2.71Å; I359-Q361 PolarHBondContact O-N 3.14Å
362G83.6Confident87.6Confident46 Ų4655.6 Ų55.647%0.47429%0.287SS..THydrogen-bonded Turntrans87.99.8179.100000114.9D358 I359 N360 F364D358-G362 PolarHBondContact O-N 3.3Å; D358-G362 VanDerWaalsContact O-N 3.16Å; I359-G362 PolarHBondContact O-N 3.42Å; N360-G362 VanDerWaalsContact C-N 3.33Å; G362-F364 WeakPolarHBondContact O-CD2 3.36Å; G362-F364 WeakPolarHBondContact O-CE2 3.32Å
363D86.1Confident87.8Confident73 Ų7355.1 Ų55.139%0.3929%0.286SS..  trans-90.5120.8171.1-175.29000111D358 I359 S365D358-D363 CarbonylContact C-O 3.5Å; D358-D363 HydrophobicContact CB-CB 4.25Å; D358-D363 PolarHBondContact O-N 3.39Å; I359-D363 WeakPolarHBondContact CA-O 3.48Å; I359-D363 PolarHBondContact N-O 2.96Å; D363-S365 VanDerWaalsContact CG-OG 3.31Å; D363-S365 WeakPolarHBondContact OD1-CB 3.38Å; D363-S365 PolarHBondContact OD1-N 2.78Å; D363-S365 PolarHBondContact OD1-OG 3.04Å; D363-S365 PolarHBondContact OD2-OG 3.35Å
364F85.3Confident88.1Confident71 Ų7150.6 Ų50.631%0.31127%0.265SS..  trans-113.69.5179.8-49.5-73.8000112.8L273 I359 G362 Q366 L367L273-F364 HydrophobicContact CD1-CE1 4.21Å; L273-F364 HydrophobicContact CD1-CZ 4.44Å; L273-F364 HydrophobicContact CD2-CD1 4.03Å; L273-F364 HydrophobicContact CD2-CE1 3.64Å; L273-F364 HydrophobicContact CG-CE1 4.43Å; I359-F364 HydrophobicContact CG1-CD1 4.22Å; I359-F364 HydrophobicContact CG2-CD1 4.46Å; I359-F364 HydrophobicContact CG2-CE1 4.06Å; G362-F364 WeakPolarHBondContact O-CD2 3.36Å; G362-F364 WeakPolarHBondContact O-CE2 3.32Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 3.12Å; F364-L367 WeakPolarHBondContact O-CB 3.23Å; F364-L367 PolarHBondContact O-N 3.39Å
365S86.3Confident88.5Confident72 Ų7244.5 Ų44.550%0.50324%0.242SC..THydrogen-bonded Turntrans-62-38.3-173.364.70000113D363 P368D363-S365 VanDerWaalsContact CG-OG 3.31Å; D363-S365 WeakPolarHBondContact OD1-CB 3.38Å; D363-S365 PolarHBondContact OD1-N 2.78Å; D363-S365 PolarHBondContact OD1-OG 3.04Å; D363-S365 PolarHBondContact OD2-OG 3.35Å; S365-P368 VanDerWaalsContact O-CD 3.3Å; S365-P368 WeakPolarHBondContact O-CD 3.37Å
366Q87.4Confident89Confident54 Ų5444.2 Ų44.225%0.25224%0.241SC..THydrogen-bonded Turntrans-88.4-10.8-177.8-59.3-65.94.800114.2I355 F364 P368 E369 L370I355-Q366 HydrophobicContact CD1-CB 3.83Å; I355-Q366 HydrophobicContact CG1-CB 3.91Å; I355-Q366 HydrophobicContact CG2-CB 4.18Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 3.12Å; Q366-P368 VanDerWaalsContact C-CD 3.45Å; Q366-E369 PolarHBondContact O-N 3.05Å; Q366-E369 PolarHBondContact OE1-OE2 3.1Å; Q366-L370 PolarHBondContact O-N 3.39Å; Q366-L370 VanDerWaalsContact O-N 3.09Å
367L86.8Confident89.6Confident15 Ų1543.6 Ų43.68%0.07924%0.236CC..Hα-helixtrans-58-39.4-178.6-179.361.8000113.7K272 I359 F364 E369 H371K272-L367 HydrophobicContact CB-CD2 3.99Å; I359-L367 HydrophobicContact CD1-CD1 4.08Å; F364-L367 WeakPolarHBondContact O-CB 3.23Å; F364-L367 PolarHBondContact O-N 3.39Å; L367-E369 PolarHBondContact O-N 3.43Å; L367-H371 WeakPolarHBondContact O-CB 3.45Å; L367-H371 PolarHBondContact O-N 3.17Å
368P90.3Very high90.2Very high41 Ų4137.9 Ų37.927%0.26621%0.209SC..Hα-helixtrans-61.9-40.3176.1-23.435.6000113.7S365 Q366 A372 Y434S365-P368 VanDerWaalsContact O-CD 3.3Å; S365-P368 WeakPolarHBondContact O-CD 3.37Å; Q366-P368 VanDerWaalsContact C-CD 3.45Å; P368-A372 WeakPolarHBondContact O-CB 3.22Å; P368-A372 PolarHBondContact O-N 2.94Å; P368-A372 VanDerWaalsContact O-N 3.1Å; P368-Y434 HydrophobicContact CB-CD2 4.35Å; P368-Y434 HydrophobicContact CB-CE2 4.15Å
369E90.9Very high90.8Very high23 Ų2336 Ų3611%0.10720%0.199CC..Hα-helixtrans-67.5-49.7178.6-174.6175.5175.800110.4Q366 L367 H371 A372 L373 Y434 G450 I451Q366-E369 PolarHBondContact O-N 3.05Å; Q366-E369 PolarHBondContact OE1-OE2 3.1Å; L367-E369 PolarHBondContact O-N 3.43Å; E369-H371 VanDerWaalsContact C-N 3.26Å; E369-H371 PolarHBondContact O-N 3.36Å; E369-A372 PolarHBondContact O-N 2.91Å; E369-A372 VanDerWaalsContact O-N 3.12Å; E369-L373 VanDerWaalsContact O-CB 3.31Å; E369-L373 WeakPolarHBondContact O-CB 3.49Å; E369-L373 PolarHBondContact O-N 3.34Å; E369-Y434 HydrophobicContact CB-CE2 4.49Å; E369-Y434 WeakPolarHBondContact CB-OH 3.43Å; E369-Y434 HydrophobicContact CG-CE1 4.38Å; E369-G450 WeakPolarHBondContact OE1-CA 3.44Å; E369-I451 HydrophobicContact CG-CG2 4.19Å; E369-I451 WeakPolarHBondContact OE1-CB 3.4Å; E369-I451 WeakPolarHBondContact OE1-CG2 3.31Å; E369-I451 PolarHBondContact OE1-N 3.16Å
370L91.5Very high91.5Very high3 Ų334.8 Ų34.82%0.01619%0.193CC..Hα-helixtrans-55.9-42.7176.4176.264.9000111.8V279 M348 I351 Y352 I355 Q366 S374V279-L370 HydrophobicContact CG1-CD1 4.13Å; V279-L370 HydrophobicContact CG1-CD2 3.62Å; V279-L370 HydrophobicContact CG1-CG 3.59Å; M348-L370 HydrophobicContact CE-CD1 4.31Å; I351-L370 HydrophobicContact CG2-CD1 3.88Å; Y352-L370 HydrophobicContact CD2-CD2 4.36Å; I355-L370 HydrophobicContact CB-CD2 4.02Å; I355-L370 HydrophobicContact CD1-CB 3.7Å; I355-L370 HydrophobicContact CD1-CD1 4.38Å; I355-L370 HydrophobicContact CD1-CD2 4.25Å; I355-L370 HydrophobicContact CD1-CG 4.31Å; I355-L370 HydrophobicContact CG2-CB 4.44Å; I355-L370 HydrophobicContact CG2-CD2 3.74Å; Q366-L370 PolarHBondContact O-N 3.39Å; Q366-L370 VanDerWaalsContact O-N 3.09Å; L370-S374 VanDerWaalsContact O-CB 3.23Å; L370-S374 WeakPolarHBondContact O-CB 3.43Å; L370-S374 PolarHBondContact O-N 2.93Å; L370-S374 PolarHBondContact O-OG 3.42Å
371H91.9Very high92.3Very high35 Ų3528.8 Ų28.816%0.16216%0.161CC..Hα-helixtrans-66.8-37.8179.9-171.1-142.4000112.6R282 L367 E369 S374 A375 Q430R282-H371 PolarHBondContact NH1-CD2 3.06Å; R282-H371 VanDerWaalsContact NH1-CD2 3.31Å; R282-H371 PolarHBondContact NH1-NE2 3.49Å; L367-H371 WeakPolarHBondContact O-CB 3.45Å; L367-H371 PolarHBondContact O-N 3.17Å; E369-H371 VanDerWaalsContact C-N 3.26Å; E369-H371 PolarHBondContact O-N 3.36Å; H371-S374 PolarHBondContact O-OG 2.86Å; H371-A375 VanDerWaalsContact O-CB 3.3Å; H371-A375 WeakPolarHBondContact O-CB 3.12Å; H371-A375 PolarHBondContact O-N 3Å; H371-Q430 PolarHBondContact CD2-NE2 3.22Å; H371-Q430 VanDerWaalsContact CD2-NE2 3.34Å; H371-Q430 PolarHBondContact CE1-NE2 3.27Å; H371-Q430 PolarHBondContact CE1-OE1 3.45Å; H371-Q430 PolarHBondContact ND1-NE2 3.08Å; H371-Q430 PolarHBondContact NE2-NE2 3.03Å; H371-Q430 PolarHBondContact O-NE2 3.45Å
372A93.9Very high92.9Very high4 Ų421.1 Ų21.13%0.03313%0.125CC..Hα-helixtrans-72.2-42.4177.100000112.1P368 E369 G376 T431 Y434P368-A372 WeakPolarHBondContact O-CB 3.22Å; P368-A372 PolarHBondContact O-N 2.94Å; P368-A372 VanDerWaalsContact O-N 3.1Å; E369-A372 PolarHBondContact O-N 2.91Å; E369-A372 VanDerWaalsContact O-N 3.12Å; A372-G376 PolarHBondContact O-N 3.44Å; A372-T431 PolarHBondContact O-OG1 3.13Å; A372-Y434 VanDerWaalsContact CB-CB 3.46Å; A372-Y434 HydrophobicContact CB-CD1 3.46Å; A372-Y434 VanDerWaalsContact CB-CD1 3.46Å; A372-Y434 HydrophobicContact CB-CD2 4.26Å; A372-Y434 HydrophobicContact CB-CE1 4.25Å; A372-Y434 HydrophobicContact CB-CG 3.46Å; A372-Y434 VanDerWaalsContact CB-CG 3.46Å
373L94.6Very high93.6Very high4 Ų422.8 Ų22.82%0.02112%0.117CC..Hα-helixtrans-69.2-46.6-178.7-175.363.2000111.7Y347 M348 I351 E369 A375 G376 L377 V534Y347-L373 HydrophobicContact CE1-CD2 4.07Å; M348-L373 HydrophobicContact SD-CD2 3.92Å; M348-L373 HydrophobicContact SD-CG 3.9Å; I351-L373 HydrophobicContact CD1-CD2 4.34Å; E369-L373 VanDerWaalsContact O-CB 3.31Å; E369-L373 WeakPolarHBondContact O-CB 3.49Å; E369-L373 PolarHBondContact O-N 3.34Å; L373-A375 VanDerWaalsContact C-N 3.34Å; L373-A375 PolarHBondContact O-N 3.1Å; L373-G376 PolarHBondContact O-N 2.77Å; L373-L377 HydrophobicContact CD1-CD1 3.65Å; L373-L377 HydrophobicContact CD1-CG 3.96Å; L373-L377 HydrophobicContact CG-CD1 3.85Å; L373-L377 HydrophobicContact CG-CG 4.44Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 PolarHBondContact O-N 3.38Å; L373-V534 HydrophobicContact CD1-CG1 4.23Å; L373-V534 HydrophobicContact CD1-CG2 4.2Å
374S95.8Very high94.2Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-61.1-40.1175.857.10000112.5L370 H371 K378L370-S374 VanDerWaalsContact O-CB 3.23Å; L370-S374 WeakPolarHBondContact O-CB 3.43Å; L370-S374 PolarHBondContact O-N 2.93Å; L370-S374 PolarHBondContact O-OG 3.42Å; H371-S374 PolarHBondContact O-OG 2.86Å; S374-K378 WeakPolarHBondContact O-CB 3.38Å; S374-K378 PolarHBondContact O-N 3.02Å
375A96.6Very high94.9Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-64.1-49.8175.700000111.8H371 L373 A379 M427H371-A375 VanDerWaalsContact O-CB 3.3Å; H371-A375 WeakPolarHBondContact O-CB 3.12Å; H371-A375 PolarHBondContact O-N 3Å; L373-A375 VanDerWaalsContact C-N 3.34Å; L373-A375 PolarHBondContact O-N 3.1Å; A375-A379 PolarHBondContact O-N 2.95Å; A375-M427 HydrophobicContact CB-CB 4.12Å; A375-M427 HydrophobicContact CB-CG 4.48Å; A375-M427 HydrophobicContact CB-SD 3.81Å
376G98.1Very high95.5Very high0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-65.4-48.4-177.300000112.6A372 L373 K378 A379 F380 T431 C531A372-G376 PolarHBondContact O-N 3.44Å; L373-G376 PolarHBondContact O-N 2.77Å; G376-K378 PolarHBondContact O-N 2.84Å; G376-A379 PolarHBondContact O-N 3.19Å; G376-F380 VanDerWaalsContact O-CB 3.32Å; G376-F380 WeakPolarHBondContact O-CB 3.14Å; G376-F380 PolarHBondContact O-N 3.44Å; G376-T431 VanDerWaalsContact CA-OG1 3.25Å; G376-T431 WeakPolarHBondContact CA-OG1 3.49Å; G376-T431 PolarHBondContact N-OG1 3.09Å; G376-T431 VanDerWaalsContact N-OG1 3.09Å; G376-C531 WeakPolarHBondContact CA-SG 3.19Å
377L98.4Very high96Very high0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-68.6-34.7179.6-71.6177000112.6V286 V344 M348 L373 A379 T381 C531 V534 V535V286-L377 HydrophobicContact CG2-CB 4.01Å; V344-L377 HydrophobicContact CG1-CD1 3.73Å; V344-L377 HydrophobicContact CG1-CD2 4.06Å; V344-L377 HydrophobicContact CG1-CG 4.43Å; M348-L377 HydrophobicContact CG-CD1 3.77Å; M348-L377 HydrophobicContact SD-CD1 3.6Å; L373-L377 HydrophobicContact CD1-CD1 3.65Å; L373-L377 HydrophobicContact CD1-CG 3.96Å; L373-L377 HydrophobicContact CG-CD1 3.85Å; L373-L377 HydrophobicContact CG-CG 4.44Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 PolarHBondContact O-N 3.38Å; L377-A379 VanDerWaalsContact C-N 3.35Å; L377-T381 WeakPolarHBondContact O-CB 3.45Å; L377-T381 WeakPolarHBondContact O-CG2 3.36Å; L377-T381 PolarHBondContact O-N 2.94Å; L377-T381 PolarHBondContact O-OG1 3.13Å; L377-C531 HydrophobicContact CD2-CB 4.14Å; L377-V534 HydrophobicContact CD1-CG1 4.29Å; L377-V534 HydrophobicContact CD2-CB 4.46Å; L377-V534 HydrophobicContact CD2-CG1 4.41Å; L377-V535 HydrophobicContact CD2-CG2 4.1Å
378K98.4Very high96.6Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-57.8-50.5169.9178.2-87.3-175.7-171.50110R282 I285 S374 G376 T382 T417 Y420 G422 N424R282-K378 HydrophobicContact CB-CB 4.32Å; R282-K378 HydrophobicContact CG-CB 4.46Å; R282-K378 HydrophobicContact CG-CG 4.33Å; I285-K378 HydrophobicContact CB-CG 4.24Å; I285-K378 HydrophobicContact CD1-CG 4.15Å; I285-K378 HydrophobicContact CG2-CG 3.9Å; S374-K378 WeakPolarHBondContact O-CB 3.38Å; S374-K378 PolarHBondContact O-N 3.02Å; G376-K378 PolarHBondContact O-N 2.84Å; K378-T382 WeakPolarHBondContact O-CB 3.4Å; K378-T382 WeakPolarHBondContact O-CG2 3.49Å; K378-T382 PolarHBondContact O-N 3.34Å; K378-T382 VanDerWaalsContact O-N 3.14Å; K378-T382 PolarHBondContact O-OG1 3.22Å; K378-T417 WeakPolarHBondContact CE-O 3.44Å; K378-T417 PolarHBondContact NZ-O 2.82Å; K378-Y420 WeakPolarHBondContact CE-O 3.46Å; K378-Y420 PolarHBondContact NZ-O 3.36Å; K378-G422 PolarHBondContact NZ-O 2.81Å; K378-N424 PolarHBondContact NZ-OD1 2.82Å
379A98.7Very high97Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-65.1-47.5-178.400000112.4A375 G376 L377 T382 W383 N424 M427 M428A375-A379 PolarHBondContact O-N 2.95Å; G376-A379 PolarHBondContact O-N 3.19Å; L377-A379 VanDerWaalsContact C-N 3.35Å; A379-T382 PolarHBondContact O-OG1 3.02Å; A379-W383 PolarHBondContact O-N 3.02Å; A379-W383 VanDerWaalsContact O-N 3.1Å; A379-N424 WeakPolarHBondContact CA-OD1 3.15Å; A379-N424 HydrophobicContact CB-CB 3.84Å; A379-N424 PolarHBondContact O-ND2 3.04Å; A379-M427 HydrophobicContact CB-CB 4.02Å; A379-M428 HydrophobicContact CB-CE 3.76Å; A379-M428 HydrophobicContact CB-CG 3.97Å; A379-M428 HydrophobicContact CB-SD 4.04Å
380F98.8Very high97.4Very high3 Ų316.6 Ų16.61%0.0138%0.084CC..Hα-helixtrans-59.5-55.8-179.6-176.8-98000111.7F341 G376 T382 W383 E384 M428 D528 C531 H532 V535F341-F380 HydrophobicContact CE1-CD1 4.26Å; F341-F380 AromaticContact CE1-CE1 3.91Å; F341-F380 HydrophobicContact CE1-CE1 3.91Å; F341-F380 HydrophobicContact CZ-CD1 4.32Å; F341-F380 HydrophobicContact CZ-CE1 4.09Å; G376-F380 VanDerWaalsContact O-CB 3.32Å; G376-F380 WeakPolarHBondContact O-CB 3.14Å; G376-F380 PolarHBondContact O-N 3.44Å; F380-T382 VanDerWaalsContact C-N 3.34Å; F380-T382 PolarHBondContact O-N 3.42Å; F380-W383 PolarHBondContact O-N 2.84Å; F380-E384 HydrophobicContact CE1-CG 4.39Å; F380-E384 HydrophobicContact CE2-CG 4.44Å; F380-E384 HydrophobicContact CZ-CG 4.23Å; F380-E384 WeakPolarHBondContact O-CG 3.17Å; F380-E384 PolarHBondContact O-N 3.23Å; F380-E384 VanDerWaalsContact O-N 3.15Å; F380-M428 HydrophobicContact CB-CE 3.94Å; F380-D528 WeakPolarHBondContact CD2-OD1 3.49Å; F380-D528 WeakPolarHBondContact CE2-OD1 3.43Å; F380-C531 HydrophobicContact CB-CB 3.77Å; F380-C531 HydrophobicContact CD1-CB 4.45Å; F380-C531 HydrophobicContact CD2-CB 4.02Å; F380-C531 HydrophobicContact CG-CB 3.82Å; F380-H532 HydrophobicContact CE2-CB 3.84Å; F380-H532 HydrophobicContact CZ-CB 3.82Å; F380-H532 AromaticContact CZ-CG 3.78Å; F380-V535 HydrophobicContact CD1-CG2 4.01Å; F380-V535 HydrophobicContact CE1-CG2 3.79Å
381T98.8Very high97.7Very high0 Ų018.5 Ų18.50%010%0.096CC..Hα-helixtrans-66.9-35.8-175.660.20000112.4V286 S289 F341 L377 T385V286-T381 HydrophobicContact CG1-CG2 4.12Å; S289-T381 PolarHBondContact OG-OG1 2.95Å; F341-T381 HydrophobicContact CD1-CG2 3.81Å; F341-T381 HydrophobicContact CD2-CG2 4.01Å; F341-T381 HydrophobicContact CE1-CG2 3.83Å; F341-T381 HydrophobicContact CE2-CG2 4.01Å; F341-T381 WeakPolarHBondContact CE2-O 3.11Å; F341-T381 HydrophobicContact CG-CG2 3.91Å; F341-T381 HydrophobicContact CZ-CG2 3.93Å; L377-T381 WeakPolarHBondContact O-CB 3.45Å; L377-T381 WeakPolarHBondContact O-CG2 3.36Å; L377-T381 PolarHBondContact O-N 2.94Å; L377-T381 PolarHBondContact O-OG1 3.13Å; T381-T385 VanDerWaalsContact O-CB 3.24Å; T381-T385 WeakPolarHBondContact O-CB 3.27Å; T381-T385 PolarHBondContact O-N 3.4Å; T381-T385 PolarHBondContact O-OG1 2.97Å
382T98.9Very high98Very high0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-71.4-40.1179.855.40000112.6I285 S289 K378 A379 F380 N386 F414 T417 C418 N424I285-T382 HydrophobicContact CG2-CG2 3.42Å; I285-T382 VanDerWaalsContact CG2-CG2 3.42Å; S289-T382 WeakPolarHBondContact OG-CG2 3.28Å; K378-T382 WeakPolarHBondContact O-CB 3.4Å; K378-T382 WeakPolarHBondContact O-CG2 3.49Å; K378-T382 PolarHBondContact O-N 3.34Å; K378-T382 VanDerWaalsContact O-N 3.14Å; K378-T382 PolarHBondContact O-OG1 3.22Å; A379-T382 PolarHBondContact O-OG1 3.02Å; F380-T382 VanDerWaalsContact C-N 3.34Å; F380-T382 PolarHBondContact O-N 3.42Å; T382-N386 WeakPolarHBondContact O-CB 3.38Å; T382-N386 PolarHBondContact O-N 3.4Å; T382-F414 HydrophobicContact CG2-CZ 4.09Å; T382-T417 WeakPolarHBondContact CG2-OG1 3.25Å; T382-C418 PolarHBondContact O-SG 2.93Å; T382-N424 PolarHBondContact OG1-ND2 3.43Å; T382-N424 PolarHBondContact OG1-OD1 3.26Å
383W98.7Very high98.3Very high81 Ų8119 Ų1931%0.30710%0.096SC..Hα-helixtrans-63.7-46.1174.7-83.6-28.1000112.8A379 F380 N386 S387 N424 M428A379-W383 PolarHBondContact O-N 3.02Å; A379-W383 VanDerWaalsContact O-N 3.1Å; F380-W383 PolarHBondContact O-N 2.84Å; W383-N386 PolarHBondContact O-N 3.35Å; W383-S387 PolarHBondContact O-N 3.33Å; W383-S387 VanDerWaalsContact O-N 3.16Å; W383-S387 PolarHBondContact O-OG 2.82Å; W383-S387 VanDerWaalsContact O-OG 3.11Å; W383-N424 HydrophobicContact CD2-CB 3.85Å; W383-N424 HydrophobicContact CE3-CB 4.4Å; W383-N424 HydrophobicContact CG-CB 4.45Å; W383-N424 HydrophobicContact CH2-CB 3.87Å; W383-N424 HydrophobicContact CZ2-CB 3.22Å; W383-N424 HydrophobicContact CZ3-CB 4.41Å; W383-N424 PolarHBondContact NE1-ND2 3.48Å; W383-N424 VanDerWaalsContact NE1-ND2 3.19Å; W383-M428 HydrophobicContact CE3-CE 3.92Å; W383-M428 HydrophobicContact CH2-CG 4.05Å; W383-M428 HydrophobicContact CZ3-CE 3.7Å; W383-M428 HydrophobicContact CZ3-CG 3.71Å
384E98.8Very high98.5Very high61 Ų6123.5 Ų23.529%0.28512%0.118SC..Hα-helixtrans-65.6-47179.6-72.6-59.7133.900111.3M337 F341 F380 N386 S387 A388M337-E384 HydrophobicContact CE-CB 4.11Å; M337-E384 HydrophobicContact SD-CB 3.72Å; M337-E384 HydrophobicContact SD-CG 4.33Å; F341-E384 HydrophobicContact CE2-CB 3.98Å; F341-E384 HydrophobicContact CZ-CB 3.75Å; F341-E384 HydrophobicContact CZ-CG 4.32Å; F380-E384 HydrophobicContact CE1-CG 4.39Å; F380-E384 HydrophobicContact CE2-CG 4.44Å; F380-E384 HydrophobicContact CZ-CG 4.23Å; F380-E384 WeakPolarHBondContact O-CG 3.17Å; F380-E384 PolarHBondContact O-N 3.23Å; F380-E384 VanDerWaalsContact O-N 3.15Å; E384-N386 PolarHBondContact O-N 2.97Å; E384-S387 PolarHBondContact O-N 2.97Å; E384-A388 VanDerWaalsContact O-CB 3.22Å; E384-A388 WeakPolarHBondContact O-CB 3.22Å; E384-A388 PolarHBondContact O-N 3.32Å
385T98.9Very high98.6Very high0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-62.5-42.3176-69.60000111.7S289 A292 L293 F341 T381 S387 A388 I389 F414S289-T385 VanDerWaalsContact O-CG2 3.31Å; S289-T385 WeakPolarHBondContact O-CG2 3.41Å; S289-T385 PolarHBondContact O-OG1 2.88Å; A292-T385 HydrophobicContact CB-CG2 4.21Å; L293-T385 HydrophobicContact CB-CG2 3.95Å; F341-T385 WeakPolarHBondContact CD2-OG1 3.42Å; F341-T385 WeakPolarHBondContact CE2-OG1 3.3Å; T381-T385 VanDerWaalsContact O-CB 3.24Å; T381-T385 WeakPolarHBondContact O-CB 3.27Å; T381-T385 PolarHBondContact O-N 3.4Å; T381-T385 PolarHBondContact O-OG1 2.97Å; T385-S387 VanDerWaalsContact C-N 3.33Å; T385-S387 PolarHBondContact O-N 3.16Å; T385-A388 PolarHBondContact O-N 2.92Å; T385-A388 VanDerWaalsContact O-N 3.14Å; T385-I389 HydrophobicContact CG2-CD1 3.71Å; T385-I389 HydrophobicContact CG2-CG1 4.03Å; T385-I389 VanDerWaalsContact O-CG1 3.27Å; T385-I389 WeakPolarHBondContact O-CG1 3.3Å; T385-I389 PolarHBondContact O-N 2.94Å; T385-F414 HydrophobicContact CG2-CD1 3.88Å; T385-F414 HydrophobicContact CG2-CD2 4.44Å; T385-F414 HydrophobicContact CG2-CE1 3.36Å; T385-F414 HydrophobicContact CG2-CE2 4Å; T385-F414 HydrophobicContact CG2-CG 4.38Å; T385-F414 HydrophobicContact CG2-CZ 3.42Å; T385-F414 VanDerWaalsContact CG2-CZ 3.42Å
386N98.7Very high98.7Very high25 Ų2524 Ų2413%0.13412%0.121CC..Hα-helixtrans-57.6-46.8179.7-178.682000111.4T382 W383 E384 Y411 F414 T415T382-N386 WeakPolarHBondContact O-CB 3.38Å; T382-N386 PolarHBondContact O-N 3.4Å; W383-N386 PolarHBondContact O-N 3.35Å; E384-N386 PolarHBondContact O-N 2.97Å; N386-Y411 WeakPolarHBondContact O-CE2 3.47Å; N386-Y411 WeakPolarHBondContact OD1-CE2 3.49Å; N386-F414 HydrophobicContact CB-CD1 4.41Å; N386-F414 HydrophobicContact CB-CE1 4.24Å; N386-T415 WeakPolarHBondContact OD1-CA 3.23Å; N386-T415 WeakPolarHBondContact OD1-CB 3.46Å; N386-T415 PolarHBondContact OD1-OG1 3.46Å
387S98.6Very high98.8Very high73 Ų7326 Ų2651%0.5114%0.142SC..Hα-helixtrans-67.3-38.3177.3-54.60000111.9W383 E384 T385 E390 V391W383-S387 PolarHBondContact O-N 3.33Å; W383-S387 VanDerWaalsContact O-N 3.16Å; W383-S387 PolarHBondContact O-OG 2.82Å; W383-S387 VanDerWaalsContact O-OG 3.11Å; E384-S387 PolarHBondContact O-N 2.97Å; T385-S387 VanDerWaalsContact C-N 3.33Å; T385-S387 PolarHBondContact O-N 3.16Å; S387-E390 PolarHBondContact O-N 3.07Å; S387-V391 PolarHBondContact O-N 3.47Å; S387-V391 VanDerWaalsContact O-N 3.15Å
388A98.8Very high98.8Very high3 Ų329.1 Ų29.13%0.02517%0.174CC..Hα-helixtrans-67.9-40.5-178.200000113.9L293 L334 M337 E384 T385 E390 V391 C392L293-A388 HydrophobicContact CD1-CB 3.43Å; L293-A388 VanDerWaalsContact CD1-CB 3.43Å; L334-A388 HydrophobicContact CD1-CB 4.04Å; L334-A388 HydrophobicContact CD2-CB 3.6Å; L334-A388 HydrophobicContact CG-CB 4.26Å; M337-A388 HydrophobicContact CE-CB 3.51Å; E384-A388 VanDerWaalsContact O-CB 3.22Å; E384-A388 WeakPolarHBondContact O-CB 3.22Å; E384-A388 PolarHBondContact O-N 3.32Å; T385-A388 PolarHBondContact O-N 2.92Å; T385-A388 VanDerWaalsContact O-N 3.14Å; A388-E390 PolarHBondContact O-N 3.24Å; A388-V391 PolarHBondContact O-N 3.4Å; A388-V391 VanDerWaalsContact O-N 3.14Å; A388-C392 PolarHBondContact O-N 3.33Å; A388-C392 PolarHBondContact O-SG 3.46Å
389I98.9Very high98.8Very high0 Ų031.7 Ų31.70%019%0.186CC..Hα-helixtrans-55.5-43.3175.2-65.9162.5000109.7A292 S296 T385 C392 R393 I410 Y411 F414A292-I389 HydrophobicContact CB-CD1 4.2Å; S296-I389 WeakPolarHBondContact OG-CG1 3.28Å; T385-I389 HydrophobicContact CG2-CD1 3.71Å; T385-I389 HydrophobicContact CG2-CG1 4.03Å; T385-I389 VanDerWaalsContact O-CG1 3.27Å; T385-I389 WeakPolarHBondContact O-CG1 3.3Å; T385-I389 PolarHBondContact O-N 2.94Å; I389-C392 WeakPolarHBondContact O-CB 3.47Å; I389-C392 PolarHBondContact O-N 3.28Å; I389-R393 PolarHBondContact O-N 3.32Å; I389-I410 HydrophobicContact CD1-CG2 4.14Å; I389-I410 HydrophobicContact CG1-CG2 4.41Å; I389-I410 HydrophobicContact CG2-CG2 4.23Å; I389-Y411 HydrophobicContact CB-CD2 4.2Å; I389-Y411 HydrophobicContact CG2-CD2 4.04Å; I389-Y411 HydrophobicContact CG2-CG 4.4Å; I389-F414 HydrophobicContact CD1-CB 3.76Å; I389-F414 HydrophobicContact CD1-CD1 3.51Å; I389-F414 HydrophobicContact CD1-CE1 4.32Å; I389-F414 HydrophobicContact CD1-CG 3.69Å
390E98.8Very high98.8Very high57 Ų5731.7 Ų31.727%0.26619%0.186SC..Hα-helixtrans-69.7-34.7-179.2-176.168.2155.200112.6S387 A388 R393 M394 Y411S387-E390 PolarHBondContact O-N 3.07Å; A388-E390 PolarHBondContact O-N 3.24Å; E390-R393 WeakPolarHBondContact O-CB 3.4Å; E390-R393 PolarHBondContact O-N 3.41Å; E390-R393 IonicContact OE1-CZ 3.63Å; E390-R393 IonicContact OE1-NE 2.65Å; E390-R393 IonicContact OE1-NH2 3.61Å; E390-R393 PolarHBondContact OE1-NH2 2.95Å; E390-R393 IonicContact OE2-CZ 2.74Å; E390-R393 IonicContact OE2-NE 3.18Å; E390-R393 PolarHBondContact OE2-NE 3.4Å; E390-R393 IonicContact OE2-NH2 2.77Å; E390-R393 PolarHBondContact OE2-NH2 3.43Å; E390-M394 HydrophobicContact CG-CE 4.24Å; E390-M394 WeakPolarHBondContact O-CG 3.5Å; E390-M394 PolarHBondContact O-N 2.74Å; E390-Y411 HydrophobicContact CB-CD2 4.47Å; E390-Y411 HydrophobicContact CB-CE2 4.24Å
391V98.9Very high98.8Very high43 Ų4340.4 Ų40.426%0.26122%0.22SC..Hα-helixtrans-63.3-42.7170.3174.10000111.1K330 L334 S387 A388 R393 M394 S395K330-V391 HydrophobicContact CB-CG1 4.06Å; K330-V391 HydrophobicContact CG-CG1 4.38Å; L334-V391 HydrophobicContact CD1-CB 3.83Å; L334-V391 HydrophobicContact CD1-CG1 3.72Å; S387-V391 PolarHBondContact O-N 3.47Å; S387-V391 VanDerWaalsContact O-N 3.15Å; A388-V391 PolarHBondContact O-N 3.4Å; A388-V391 VanDerWaalsContact O-N 3.14Å; V391-R393 VanDerWaalsContact C-N 3.32Å; V391-R393 PolarHBondContact O-N 3.19Å; V391-M394 HydrophobicContact CG2-CE 4.26Å; V391-M394 PolarHBondContact O-N 3.37Å; V391-S395 VanDerWaalsContact O-CB 3.29Å; V391-S395 WeakPolarHBondContact O-CB 3.39Å; V391-S395 PolarHBondContact O-N 3.29Å; V391-S395 PolarHBondContact O-OG 3.39Å
392C98.9Very high98.8Very high0 Ų042.2 Ų42.20%023%0.232CC..Hα-helixtrans-59.5-43.5174-70.90000111.5A300 A388 I389 S395 C396 L407A300-C392 HydrophobicContact CB-CB 3.82Å; A388-C392 PolarHBondContact O-N 3.33Å; A388-C392 PolarHBondContact O-SG 3.46Å; I389-C392 WeakPolarHBondContact O-CB 3.47Å; I389-C392 PolarHBondContact O-N 3.28Å; C392-S395 PolarHBondContact O-N 3.31Å; C392-C396 PolarHBondContact O-N 3.29Å; C392-C396 PolarHBondContact O-SG 3.17Å; C392-C396 VanDerWaalsContact O-SG 3.38Å; C392-L407 HydrophobicContact CB-CD2 4.19Å
393R98.9Very high98.7Very high50 Ų5045.9 Ų45.919%0.18925%0.246CC..Hα-helixtrans-58.4-52.1175.9-167.9-79.8-58.1157.7-2.7111.8I389 E390 V391 S395 C396 G400 L407I389-R393 PolarHBondContact O-N 3.32Å; E390-R393 WeakPolarHBondContact O-CB 3.4Å; E390-R393 PolarHBondContact O-N 3.41Å; E390-R393 IonicContact OE1-CZ 3.63Å; E390-R393 IonicContact OE1-NE 2.65Å; E390-R393 IonicContact OE1-NH2 3.61Å; E390-R393 PolarHBondContact OE1-NH2 2.95Å; E390-R393 IonicContact OE2-CZ 2.74Å; E390-R393 IonicContact OE2-NE 3.18Å; E390-R393 PolarHBondContact OE2-NE 3.4Å; E390-R393 IonicContact OE2-NH2 2.77Å; E390-R393 PolarHBondContact OE2-NH2 3.43Å; V391-R393 VanDerWaalsContact C-N 3.32Å; V391-R393 PolarHBondContact O-N 3.19Å; R393-S395 VanDerWaalsContact C-N 3.26Å; R393-S395 PolarHBondContact O-N 3.3Å; R393-C396 PolarHBondContact O-N 3.23Å; R393-G400 WeakPolarHBondContact CD-O 3.37Å; R393-G400 WeakPolarHBondContact CG-O 3.23Å; R393-L407 HydrophobicContact CB-CB 3.95Å; R393-L407 HydrophobicContact CB-CD1 4.33Å; R393-L407 HydrophobicContact CG-CB 3.89Å
394M98.8Very high98.7Very high98 Ų9842.2 Ų42.248%0.48323%0.233SC..Hα-helixtrans-62.8-31.5176.2-71.8-173-66.600113.1E390 V391 C396 G397E390-M394 HydrophobicContact CG-CE 4.24Å; E390-M394 WeakPolarHBondContact O-CG 3.5Å; E390-M394 PolarHBondContact O-N 2.74Å; V391-M394 HydrophobicContact CG2-CE 4.26Å; V391-M394 PolarHBondContact O-N 3.37Å; M394-C396 PolarHBondContact O-N 3.44Å; M394-G397 PolarHBondContact O-N 3.08Å; M394-G397 VanDerWaalsContact O-N 3.13Å
395S98.8Very high98.6Very high6 Ų639.3 Ų39.34%0.04222%0.219CC..Hα-helixtrans-72.9-12.2-179.4-57.90000113.1Q327 V391 C392 R393Q327-S395 PolarHBondContact NE2-O 3.25Å; V391-S395 VanDerWaalsContact O-CB 3.29Å; V391-S395 WeakPolarHBondContact O-CB 3.39Å; V391-S395 PolarHBondContact O-N 3.29Å; V391-S395 PolarHBondContact O-OG 3.39Å; C392-S395 PolarHBondContact O-N 3.31Å; R393-S395 VanDerWaalsContact C-N 3.26Å; R393-S395 PolarHBondContact O-N 3.3Å
396C98.9Very high98.6Very high4 Ų439.3 Ų39.33%0.02722%0.219CC..THydrogen-bonded Turntrans-91.35.2171.6-60.30000113.3Y303 C392 R393 M394 G400 L407 L621Y303-C396 HydrophobicContact CD1-CB 3.79Å; Y303-C396 HydrophobicContact CE1-CB 4Å; Y303-C396 WeakPolarHBondContact CE1-O 3.32Å; C392-C396 PolarHBondContact O-N 3.29Å; C392-C396 PolarHBondContact O-SG 3.17Å; C392-C396 VanDerWaalsContact O-SG 3.38Å; R393-C396 PolarHBondContact O-N 3.23Å; M394-C396 PolarHBondContact O-N 3.44Å; C396-G400 PolarHBondContact O-N 3.12Å; C396-L407 HydrophobicContact CB-CD1 4.47Å; C396-L621 HydrophobicContact CB-CD1 4.09Å
397G98.6Very high98.6Very high42 Ų4238.1 Ų38.143%0.43321%0.213SC..G310 helixtrans60.8-145.9-179.400000112.9M394 H399 G400M394-G397 PolarHBondContact O-N 3.08Å; M394-G397 VanDerWaalsContact O-N 3.13Å; G397-H399 VanDerWaalsContact C-N 3.31Å; G397-H399 PolarHBondContact O-N 3.48Å; G397-G400 PolarHBondContact O-N 3.29Å; G397-G400 VanDerWaalsContact O-N 3.15Å
398G98.6Very high98.6Very high65 Ų6536.1 Ų36.167%0.6720%0.198SC*.G310 helixtrans-59.7-37-179.100000113.7G400 Y401G398-G400 VanDerWaalsContact C-N 3.25Å; G398-G400 PolarHBondContact O-N 2.89Å; G398-Y401 WeakPolarHBondContact O-CB 3.18Å; G398-Y401 PolarHBondContact O-N 3.42Å; G398-Y401 VanDerWaalsContact O-N 3.08Å
399H98.8Very high98.5Very high55 Ų5536.3 Ų36.326%0.25520%0.199SC..G310 helixtrans-66.5-28.2178.8-59.8157.4000112.6Y303 G397 Y401 S402 L621 M632Y303-H399 AromaticContact CZ-ND1 3.78Å; Y303-H399 PolarHBondContact OH-ND1 2.85Å; G397-H399 VanDerWaalsContact C-N 3.31Å; G397-H399 PolarHBondContact O-N 3.48Å; H399-Y401 PolarHBondContact O-N 2.91Å; H399-S402 WeakPolarHBondContact O-CB 3.43Å; H399-S402 PolarHBondContact O-N 3.31Å; H399-L621 HydrophobicContact CB-CD1 3.79Å; H399-L621 HydrophobicContact CB-CD2 4.11Å; H399-M632 HydrophobicContact CB-SD 4.42Å
400G98.6Very high98.5Very high0 Ų036.7 Ų36.70%020%0.201CC..G310 helixtrans-64.7-21.3173.400000114.1R393 C396 G397 G398 S405R393-G400 WeakPolarHBondContact CD-O 3.37Å; R393-G400 WeakPolarHBondContact CG-O 3.23Å; C396-G400 PolarHBondContact O-N 3.12Å; G397-G400 PolarHBondContact O-N 3.29Å; G397-G400 VanDerWaalsContact O-N 3.15Å; G398-G400 VanDerWaalsContact C-N 3.25Å; G398-G400 PolarHBondContact O-N 2.89Å; G400-S405 PolarHBondContact O-OG 2.89Å; G400-S405 VanDerWaalsContact O-OG 3.12Å
401Y98.8Very high98.5Very high185 Ų18536.2 Ų36.273%0.72520%0.197SC*.G310 helixtrans-76.9-27.2175.9-170.9-109.1000112.5G398 H399G398-Y401 WeakPolarHBondContact O-CB 3.18Å; G398-Y401 PolarHBondContact O-N 3.42Å; G398-Y401 VanDerWaalsContact O-N 3.08Å; H399-Y401 PolarHBondContact O-N 2.91Å
402S98.5Very high98.4Very high38 Ų3835 Ų3527%0.26619%0.189SC..SBendtrans-68.6144.2175.7177.40000111.2H399 S404 S405H399-S402 WeakPolarHBondContact O-CB 3.43Å; H399-S402 PolarHBondContact O-N 3.31Å; S402-S404 WeakPolarHBondContact CB-OG 3.33Å; S402-S404 PolarHBondContact O-N 3.08Å; S402-S404 PolarHBondContact OG-N 3.15Å; S402-S404 PolarHBondContact OG-OG 3.28Å; S402-S405 WeakPolarHBondContact O-CB 3.49Å; S402-S405 PolarHBondContact O-N 3.04Å; S402-S405 PolarHBondContact O-OG 3.01Å
403R97.8Very high98.3Very high78 Ų7835.7 Ų35.729%0.29419%0.192SC..G310 helixtrans-66.6-16.7173.2-61.8-172.377.5177.1-5.2113N52 R59 S405 A406 D409 W635N52-R403 HydrophobicContact CB-CB 4.36Å; N52-R403 PolarHBondContact OD1-NE 2.94Å; N52-R403 PolarHBondContact OD1-NH2 3.49Å; R59-R403 VanDerWaalsContact NH1-NH2 3.18Å; R403-S405 PolarHBondContact O-N 3.47Å; R403-S405 VanDerWaalsContact O-N 3.11Å; R403-A406 PolarHBondContact O-N 3.39Å; R403-D409 IonicContact CZ-OD1 2.85Å; R403-D409 IonicContact NE-OD1 3.41Å; R403-D409 PolarHBondContact NE-OD1 2.83Å; R403-D409 IonicContact NE-OD2 2.92Å; R403-D409 IonicContact NH2-OD1 3.75Å; R403-D409 PolarHBondContact NH2-OD1 2.89Å; R403-D409 IonicContact NH2-OD2 3.25Å; R403-W635 HydrophobicContact CB-CH2 4.38Å; R403-W635 HydrophobicContact CB-CZ2 4.47Å
404S97.7Very high98.3Very high3 Ų333.7 Ų33.72%0.02119%0.185CC..G310 helixtrans-59.6-19.5168.763.60000113.4S402 V620S402-S404 WeakPolarHBondContact CB-OG 3.33Å; S402-S404 PolarHBondContact O-N 3.08Å; S402-S404 PolarHBondContact OG-N 3.15Å; S402-S404 PolarHBondContact OG-OG 3.28Å; S404-V620 WeakPolarHBondContact O-CB 3.48Å; S404-V620 PolarHBondContact O-N 2.82Å
405S98.4Very high98.3Very high0 Ų030.4 Ų30.40%017%0.171CC..G310 helixtrans-80.1-14.5173.672.70000114.1I299 G400 S402 R403 L407 P408 S619I299-S405 WeakPolarHBondContact CD1-O 3.5Å; G400-S405 PolarHBondContact O-OG 2.89Å; G400-S405 VanDerWaalsContact O-OG 3.12Å; S402-S405 WeakPolarHBondContact O-CB 3.49Å; S402-S405 PolarHBondContact O-N 3.04Å; S402-S405 PolarHBondContact O-OG 3.01Å; R403-S405 PolarHBondContact O-N 3.47Å; R403-S405 VanDerWaalsContact O-N 3.11Å; S405-L407 PolarHBondContact O-N 3.06Å; S405-L407 PolarHBondContact OG-N 3.41Å; S405-P408 VanDerWaalsContact OG-CD 3.22Å; S405-P408 WeakPolarHBondContact OG-CD 3.37Å; S405-S619 VanDerWaalsContact C-OG 3.26Å; S405-S619 WeakPolarHBondContact O-CB 3.34Å; S405-S619 PolarHBondContact O-OG 3.41Å
406A98.1Very high98.3Very high0 Ų031.9 Ų31.90%018%0.18CC..SBendtrans59.9-12.8-167.100000116.6I299 R403 D409 I410 N618I299-A406 HydrophobicContact CD1-CB 4.25Å; R403-A406 PolarHBondContact O-N 3.39Å; A406-D409 PolarHBondContact O-N 2.8Å; A406-D409 VanDerWaalsContact O-N 3.09Å; A406-I410 HydrophobicContact CB-CD1 4.28Å; A406-I410 WeakPolarHBondContact O-CG1 3.38Å; A406-I410 PolarHBondContact O-N 3.06Å; A406-N618 WeakPolarHBondContact CB-O 3.45Å
407L98.6Very high98.2Very high0 Ų031.8 Ų31.80%018%0.18CC..Hα-helixtrans-62.5-40.7-177.1-68.7164.7000113I299 C392 R393 C396 S405 D409 I410 Y411I299-L407 HydrophobicContact CB-CD1 4.48Å; I299-L407 HydrophobicContact CB-CD2 4.31Å; I299-L407 HydrophobicContact CB-CG 4.43Å; I299-L407 HydrophobicContact CD1-CD2 4.04Å; I299-L407 HydrophobicContact CD1-CG 4.21Å; I299-L407 HydrophobicContact CG2-CD1 3.83Å; I299-L407 HydrophobicContact CG2-CD2 4.45Å; I299-L407 HydrophobicContact CG2-CG 4.04Å; C392-L407 HydrophobicContact CB-CD2 4.19Å; R393-L407 HydrophobicContact CB-CB 3.95Å; R393-L407 HydrophobicContact CB-CD1 4.33Å; R393-L407 HydrophobicContact CG-CB 3.89Å; C396-L407 HydrophobicContact CB-CD1 4.47Å; S405-L407 PolarHBondContact O-N 3.06Å; S405-L407 PolarHBondContact OG-N 3.41Å; L407-D409 VanDerWaalsContact C-N 3.28Å; L407-D409 PolarHBondContact O-N 3.22Å; L407-I410 PolarHBondContact O-N 3.37Å; L407-Y411 WeakPolarHBondContact O-CB 3.32Å; L407-Y411 PolarHBondContact O-N 3.27Å
408P98.5Very high98.2Very high31 Ų3130.4 Ų30.420%0.20116%0.163CC..Hα-helixtrans-57-42171.1-26.635.2000112.6S405 Y411 V412S405-P408 VanDerWaalsContact OG-CD 3.22Å; S405-P408 WeakPolarHBondContact OG-CD 3.37Å; P408-Y411 PolarHBondContact O-N 3.36Å; P408-V412 WeakPolarHBondContact O-CG1 3.42Å; P408-V412 WeakPolarHBondContact O-CG2 3.42Å; P408-V412 PolarHBondContact O-N 3.37Å
409D97.1Very high98.2Very high8 Ų832 Ų324%0.04316%0.16CC..Hα-helixtrans-69.6-46.9-178.7-64.6-31.3000111.3N52 R403 A406 L407 Y411 V412 E413N52-D409 PolarHBondContact ND2-OD2 3.17Å; N52-D409 PolarHBondContact OD1-OD2 2.83Å; N52-D409 VanDerWaalsContact OD1-OD2 3.07Å; R403-D409 IonicContact CZ-OD1 2.85Å; R403-D409 IonicContact NE-OD1 3.41Å; R403-D409 PolarHBondContact NE-OD1 2.83Å; R403-D409 IonicContact NE-OD2 2.92Å; R403-D409 IonicContact NH2-OD1 3.75Å; R403-D409 PolarHBondContact NH2-OD1 2.89Å; R403-D409 IonicContact NH2-OD2 3.25Å; A406-D409 PolarHBondContact O-N 2.8Å; A406-D409 VanDerWaalsContact O-N 3.09Å; L407-D409 VanDerWaalsContact C-N 3.28Å; L407-D409 PolarHBondContact O-N 3.22Å; D409-Y411 PolarHBondContact O-N 2.68Å; D409-V412 WeakPolarHBondContact O-CG2 3.47Å; D409-V412 PolarHBondContact O-N 2.62Å; D409-E413 VanDerWaalsContact O-CB 3.28Å; D409-E413 WeakPolarHBondContact O-CB 3.46Å; D409-E413 WeakPolarHBondContact O-CG 3.5Å; D409-E413 PolarHBondContact O-N 2.83Å
410I98.3Very high98Very high7 Ų733.2 Ų33.24%0.03616%0.163CC..Hα-helixtrans-56.4-41.2175-65.4163.6000110.5A292 K295 S296 I299 I389 A406 L407 F414A292-I410 HydrophobicContact CB-CG2 4.3Å; K295-I410 HydrophobicContact CB-CD1 4.02Å; S296-I410 WeakPolarHBondContact OG-CG2 3.45Å; I299-I410 HydrophobicContact CD1-CD1 3.59Å; I389-I410 HydrophobicContact CD1-CG2 4.14Å; I389-I410 HydrophobicContact CG1-CG2 4.41Å; I389-I410 HydrophobicContact CG2-CG2 4.23Å; A406-I410 HydrophobicContact CB-CD1 4.28Å; A406-I410 WeakPolarHBondContact O-CG1 3.38Å; A406-I410 PolarHBondContact O-N 3.06Å; L407-I410 PolarHBondContact O-N 3.37Å; I410-F414 WeakPolarHBondContact O-CB 3.42Å; I410-F414 PolarHBondContact O-N 2.88Å
411Y98.5Very high97.7Very high48 Ų4835 Ų3519%0.18817%0.171CC..Hα-helixtrans-64.3-52.7178.6-177-106.7000112.4F230 N386 I389 E390 L407 P408 D409 E413 F414 T415F230-Y411 HydrophobicContact CE1-CD1 4.16Å; F230-Y411 AromaticContact CE1-CE1 3.72Å; F230-Y411 HydrophobicContact CE1-CE1 3.72Å; F230-Y411 HydrophobicContact CZ-CD1 4.14Å; F230-Y411 AromaticContact CZ-CE1 3.89Å; F230-Y411 HydrophobicContact CZ-CE1 3.89Å; N386-Y411 WeakPolarHBondContact O-CE2 3.47Å; N386-Y411 WeakPolarHBondContact OD1-CE2 3.49Å; I389-Y411 HydrophobicContact CB-CD2 4.2Å; I389-Y411 HydrophobicContact CG2-CD2 4.04Å; I389-Y411 HydrophobicContact CG2-CG 4.4Å; E390-Y411 HydrophobicContact CB-CD2 4.47Å; E390-Y411 HydrophobicContact CB-CE2 4.24Å; L407-Y411 WeakPolarHBondContact O-CB 3.32Å; L407-Y411 PolarHBondContact O-N 3.27Å; P408-Y411 PolarHBondContact O-N 3.36Å; D409-Y411 PolarHBondContact O-N 2.68Å; Y411-E413 VanDerWaalsContact C-N 3.3Å; Y411-E413 PolarHBondContact O-N 3.23Å; Y411-F414 PolarHBondContact O-N 3.22Å; Y411-F414 VanDerWaalsContact O-N 3.15Å; Y411-T415 WeakPolarHBondContact O-CB 3.46Å; Y411-T415 PolarHBondContact O-N 3.43Å
412V98Very high97.5Very high17 Ų1727.1 Ų27.110%0.10315%0.146CC..Hα-helixtrans-71.1-25.5-176.1-57.60000113.1F230 P408 D409 P416F230-V412 HydrophobicContact CD1-CG1 4.09Å; F230-V412 HydrophobicContact CD2-CB 4.37Å; F230-V412 HydrophobicContact CD2-CG1 3.58Å; F230-V412 HydrophobicContact CE1-CG1 3.95Å; F230-V412 HydrophobicContact CE2-CG1 3.41Å; F230-V412 VanDerWaalsContact CE2-CG1 3.41Å; F230-V412 HydrophobicContact CG-CB 4.33Å; F230-V412 HydrophobicContact CG-CG1 3.92Å; F230-V412 HydrophobicContact CZ-CG1 3.62Å; P408-V412 WeakPolarHBondContact O-CG1 3.42Å; P408-V412 WeakPolarHBondContact O-CG2 3.42Å; P408-V412 PolarHBondContact O-N 3.37Å; D409-V412 WeakPolarHBondContact O-CG2 3.47Å; D409-V412 PolarHBondContact O-N 2.62Å; V412-P416 WeakPolarHBondContact O-CD 3.4Å
413E97.1Very high97.4Very high14 Ų1428.1 Ų28.17%0.06515%0.147CC..Hα-helixtrans-81.6-20.1172.7-63.6-58.2142.300113Q97 F232 D409 Y411Q97-E413 WeakPolarHBondContact CG-OE2 3.45Å; F232-E413 WeakPolarHBondContact CD2-OE2 3.25Å; F232-E413 VanDerWaalsContact CE2-O 3.23Å; F232-E413 WeakPolarHBondContact CE2-O 3.38Å; F232-E413 PolarHBondContact N-OE1 3.21Å; F232-E413 PolarHBondContact N-OE2 3.31Å; D409-E413 VanDerWaalsContact O-CB 3.28Å; D409-E413 WeakPolarHBondContact O-CB 3.46Å; D409-E413 WeakPolarHBondContact O-CG 3.5Å; D409-E413 PolarHBondContact O-N 2.83Å; Y411-E413 VanDerWaalsContact C-N 3.3Å; Y411-E413 PolarHBondContact O-N 3.23Å
414F98.1Very high97.5Very high9 Ų924.4 Ų24.44%0.03913%0.133CC..Hα-helixtrans-95.8-40.4179-178.2-97.5000113S289 A292 T382 T385 N386 I389 I410 Y411 P416 T417S289-F414 VanDerWaalsContact CA-CE2 3.49Å; S289-F414 WeakPolarHBondContact OG-CZ 3.43Å; A292-F414 HydrophobicContact CB-CB 4.31Å; A292-F414 HydrophobicContact CB-CD2 3.48Å; A292-F414 VanDerWaalsContact CB-CD2 3.48Å; A292-F414 HydrophobicContact CB-CE2 4Å; A292-F414 HydrophobicContact CB-CG 3.95Å; T382-F414 HydrophobicContact CG2-CZ 4.09Å; T385-F414 HydrophobicContact CG2-CD1 3.88Å; T385-F414 HydrophobicContact CG2-CD2 4.44Å; T385-F414 HydrophobicContact CG2-CE1 3.36Å; T385-F414 HydrophobicContact CG2-CE2 4Å; T385-F414 HydrophobicContact CG2-CG 4.38Å; T385-F414 HydrophobicContact CG2-CZ 3.42Å; T385-F414 VanDerWaalsContact CG2-CZ 3.42Å; N386-F414 HydrophobicContact CB-CD1 4.41Å; N386-F414 HydrophobicContact CB-CE1 4.24Å; I389-F414 HydrophobicContact CD1-CB 3.76Å; I389-F414 HydrophobicContact CD1-CD1 3.51Å; I389-F414 HydrophobicContact CD1-CE1 4.32Å; I389-F414 HydrophobicContact CD1-CG 3.69Å; I410-F414 WeakPolarHBondContact O-CB 3.42Å; I410-F414 PolarHBondContact O-N 2.88Å; Y411-F414 PolarHBondContact O-N 3.22Å; Y411-F414 VanDerWaalsContact O-N 3.15Å; F414-P416 VanDerWaalsContact C-N 3.28Å; F414-P416 WeakPolarHBondContact O-CD 3.48Å; F414-P416 VanDerWaalsContact O-N 3.08Å; F414-T417 HydrophobicContact CD2-CG2 3.98Å; F414-T417 WeakPolarHBondContact CE1-OG1 3.5Å; F414-T417 HydrophobicContact CE2-CG2 3.9Å; F414-T417 HydrophobicContact CZ-CG2 4.43Å; F414-T417 WeakPolarHBondContact CZ-OG1 3.41Å; F414-T417 VanDerWaalsContact O-CB 3.23Å; F414-T417 WeakPolarHBondContact O-CB 3.46Å; F414-T417 WeakPolarHBondContact O-CG2 3.28Å; F414-T417 PolarHBondContact O-N 3.1Å; F414-T417 PolarHBondContact O-OG1 2.73Å
415T98.5Very high97.5Very high28 Ų2827.1 Ų27.117%0.17215%0.149CC..G310 helixtrans-52.8-32.8-172-162.10000115.2F230 N386 Y411 T417 C418F230-T415 HydrophobicContact CD1-CG2 3.96Å; F230-T415 HydrophobicContact CE1-CG2 4.22Å; N386-T415 WeakPolarHBondContact OD1-CA 3.23Å; N386-T415 WeakPolarHBondContact OD1-CB 3.46Å; N386-T415 PolarHBondContact OD1-OG1 3.46Å; Y411-T415 WeakPolarHBondContact O-CB 3.46Å; Y411-T415 PolarHBondContact O-N 3.43Å; T415-T417 PolarHBondContact O-N 3.5Å; T415-T417 VanDerWaalsContact O-N 3.08Å; T415-C418 WeakPolarHBondContact O-CB 3.26Å; T415-C418 PolarHBondContact O-N 2.9Å
416P98.2Very high97.5Very high37 Ų3729.2 Ų29.224%0.2416%0.162CC..G310 helixtrans-62.7-20177.1-23.938000113.8F232 V412 F414 C418 T419 Y420F232-P416 HydrophobicContact CD2-CG 4.08Å; F232-P416 HydrophobicContact CE2-CB 4.21Å; F232-P416 HydrophobicContact CE2-CG 3.68Å; F232-P416 HydrophobicContact CZ-CB 4.34Å; F232-P416 HydrophobicContact CZ-CG 4.29Å; V412-P416 WeakPolarHBondContact O-CD 3.4Å; F414-P416 VanDerWaalsContact C-N 3.28Å; F414-P416 WeakPolarHBondContact O-CD 3.48Å; F414-P416 VanDerWaalsContact O-N 3.08Å; P416-C418 PolarHBondContact O-N 2.82Å; P416-C418 VanDerWaalsContact O-N 3.15Å; P416-T419 PolarHBondContact O-N 3.49Å; P416-Y420 VanDerWaalsContact C-CE1 3.46Å; P416-Y420 HydrophobicContact CB-CD1 3.77Å; P416-Y420 HydrophobicContact CB-CE1 3.84Å; P416-Y420 WeakPolarHBondContact O-CD1 3.43Å; P416-Y420 PolarHBondContact O-N 2.69Å
417T97.8Very high97.5Very high3 Ų329.6 Ų29.62%0.01816%0.164CC..G310 helixtrans-56.9-25.8172.961.90000112.7I285 K378 T382 F414 T415 T419 Y420I285-T417 HydrophobicContact CG2-CG2 4.33Å; K378-T417 WeakPolarHBondContact CE-O 3.44Å; K378-T417 PolarHBondContact NZ-O 2.82Å; T382-T417 WeakPolarHBondContact CG2-OG1 3.25Å; F414-T417 HydrophobicContact CD2-CG2 3.98Å; F414-T417 WeakPolarHBondContact CE1-OG1 3.5Å; F414-T417 HydrophobicContact CE2-CG2 3.9Å; F414-T417 HydrophobicContact CZ-CG2 4.43Å; F414-T417 WeakPolarHBondContact CZ-OG1 3.41Å; F414-T417 VanDerWaalsContact O-CB 3.23Å; F414-T417 WeakPolarHBondContact O-CB 3.46Å; F414-T417 WeakPolarHBondContact O-CG2 3.28Å; F414-T417 PolarHBondContact O-N 3.1Å; F414-T417 PolarHBondContact O-OG1 2.73Å; T415-T417 PolarHBondContact O-N 3.5Å; T415-T417 VanDerWaalsContact O-N 3.08Å; T417-T419 PolarHBondContact O-N 3.19Å; T417-Y420 HydrophobicContact CG2-CE1 4.12Å; T417-Y420 HydrophobicContact CG2-CE2 4.28Å; T417-Y420 WeakPolarHBondContact CG2-OH 3.23Å
418C98.5Very high97.5Very high13 Ų1329.6 Ų29.69%0.08816%0.164CC..G310 helixtrans-72.1-14.1175.2-640000113T382 T415 P416 N424T382-C418 PolarHBondContact O-SG 2.93Å; T415-C418 WeakPolarHBondContact O-CB 3.26Å; T415-C418 PolarHBondContact O-N 2.9Å; P416-C418 PolarHBondContact O-N 2.82Å; P416-C418 VanDerWaalsContact O-N 3.15Å; C418-N424 WeakPolarHBondContact CA-ND2 3.38Å; C418-N424 PolarHBondContact O-N 2.53Å; C418-N424 PolarHBondContact O-OD1 2.86Å; C418-N424 VanDerWaalsContact O-OD1 3.07Å
419T98.1Very high97.5Very high98 Ų9829.5 Ų29.560%0.60116%0.162SC*.THydrogen-bonded Turntrans-115-51.2-173.3-55.90000112.2P416 T417 G422 E423P416-T419 PolarHBondContact O-N 3.49Å; T417-T419 PolarHBondContact O-N 3.19Å; T419-G422 CarbonylContact O-C 3.59Å; T419-G422 VanDerWaalsContact O-C 3.3Å; T419-E423 PolarHBondContact O-N 3.3Å
420Y94.6Very high97.4Very high81 Ų8131 Ų3132%0.31817%0.168SC..THydrogen-bonded Turntrans-72.3163.1-178.867-119.7000111.9F232 I285 K378 P416 T417 G422F232-Y420 HydrophobicContact CZ-CE1 4.17Å; I285-Y420 HydrophobicContact CD1-CD2 3.94Å; I285-Y420 HydrophobicContact CD1-CE2 3.48Å; I285-Y420 VanDerWaalsContact CD1-CE2 3.48Å; I285-Y420 HydrophobicContact CG1-CE2 3.94Å; K378-Y420 WeakPolarHBondContact CE-O 3.46Å; K378-Y420 PolarHBondContact NZ-O 3.36Å; P416-Y420 VanDerWaalsContact C-CE1 3.46Å; P416-Y420 HydrophobicContact CB-CD1 3.77Å; P416-Y420 HydrophobicContact CB-CE1 3.84Å; P416-Y420 WeakPolarHBondContact O-CD1 3.43Å; P416-Y420 PolarHBondContact O-N 2.69Å; T417-Y420 HydrophobicContact CG2-CE1 4.12Å; T417-Y420 HydrophobicContact CG2-CE2 4.28Å; T417-Y420 WeakPolarHBondContact CG2-OH 3.23Å; Y420-G422 PolarHBondContact O-N 3.02Å; Y420-G422 VanDerWaalsContact O-N 3.14Å
421E92.8Very high97.4Very high37 Ų3730.6 Ų30.617%0.17317%0.166CC..THydrogen-bonded Turntrans56.421.1-171-65.7-54.4133.700114.4M278 V281 R282 I285M278-E421 WeakPolarHBondContact CB-OE2 3.4Å; V281-E421 HydrophobicContact CB-CG 3.98Å; V281-E421 HydrophobicContact CG1-CG 3.55Å; R282-E421 HydrophobicContact CG-CB 4.08Å; R282-E421 PolarHBondContact NE-O 3.32Å; R282-E421 PolarHBondContact NH2-O 2.85Å; R282-E421 VanDerWaalsContact NH2-O 3.11Å; I285-E421 HydrophobicContact CD1-CB 3.74Å; I285-E421 HydrophobicContact CD1-CG 3.73Å
422G93.9Very high97.4Very high20 Ų2028.4 Ų28.421%0.20616%0.158CC..SBendtrans111.6123178.200000111.4K378 T419 Y420 N424 M427K378-G422 PolarHBondContact NZ-O 2.81Å; T419-G422 CarbonylContact O-C 3.59Å; T419-G422 VanDerWaalsContact O-C 3.3Å; Y420-G422 PolarHBondContact O-N 3.02Å; Y420-G422 VanDerWaalsContact O-N 3.14Å; G422-N424 PolarHBondContact O-N 3.13Å; G422-M427 WeakPolarHBondContact O-CG 3.39Å
423E97.7Very high97.4Very high59 Ų5934.1 Ų34.128%0.27618%0.177SC..  trans-56.1135.7175.8-172.5-71.2128.100110.2T419 T425 V426 M427T419-E423 PolarHBondContact O-N 3.3Å; E423-T425 VanDerWaalsContact CD-N 3.25Å; E423-T425 PolarHBondContact O-N 3.21Å; E423-T425 PolarHBondContact OE1-N 3.36Å; E423-T425 WeakPolarHBondContact OE2-CA 3.46Å; E423-T425 VanDerWaalsContact OE2-CB 3.26Å; E423-T425 WeakPolarHBondContact OE2-CB 3.39Å; E423-T425 PolarHBondContact OE2-N 3.14Å; E423-V426 HydrophobicContact CB-CG2 4.49Å; E423-V426 PolarHBondContact O-N 3.11Å; E423-V426 VanDerWaalsContact O-N 3.07Å; E423-V426 WeakPolarHBondContact OE2-CG2 3.5Å; E423-V426 PolarHBondContact OE2-N 3.24Å; E423-M427 WeakPolarHBondContact O-CG 3.44Å; E423-M427 PolarHBondContact O-N 3.45Å
424N98.6Very high97.4Very high0 Ų035.4 Ų35.40%018%0.182CC..Hα-helixtrans-59.2-40.8-167.2-78.60.1000114K378 A379 T382 W383 C418 G422 V426 M427 M428K378-N424 PolarHBondContact NZ-OD1 2.82Å; A379-N424 WeakPolarHBondContact CA-OD1 3.15Å; A379-N424 HydrophobicContact CB-CB 3.84Å; A379-N424 PolarHBondContact O-ND2 3.04Å; T382-N424 PolarHBondContact OG1-ND2 3.43Å; T382-N424 PolarHBondContact OG1-OD1 3.26Å; W383-N424 HydrophobicContact CD2-CB 3.85Å; W383-N424 HydrophobicContact CE3-CB 4.4Å; W383-N424 HydrophobicContact CG-CB 4.45Å; W383-N424 HydrophobicContact CH2-CB 3.87Å; W383-N424 HydrophobicContact CZ2-CB 3.22Å; W383-N424 HydrophobicContact CZ3-CB 4.41Å; W383-N424 PolarHBondContact NE1-ND2 3.48Å; W383-N424 VanDerWaalsContact NE1-ND2 3.19Å; C418-N424 WeakPolarHBondContact CA-ND2 3.38Å; C418-N424 PolarHBondContact O-N 2.53Å; C418-N424 PolarHBondContact O-OD1 2.86Å; C418-N424 VanDerWaalsContact O-OD1 3.07Å; G422-N424 PolarHBondContact O-N 3.13Å; N424-V426 VanDerWaalsContact C-N 3.34Å; N424-V426 PolarHBondContact O-N 3.25Å; N424-M427 PolarHBondContact O-N 3.01Å; N424-M428 WeakPolarHBondContact O-CG 3.25Å; N424-M428 PolarHBondContact O-N 3.29Å
425T98.6Very high97.4Very high59 Ų5935 Ų3536%0.36218%0.181SC..Hα-helixtrans-62.7-42.5175-64.60000111.2E423 M427 M428 L429 V524E423-T425 VanDerWaalsContact CD-N 3.25Å; E423-T425 PolarHBondContact O-N 3.21Å; E423-T425 PolarHBondContact OE1-N 3.36Å; E423-T425 WeakPolarHBondContact OE2-CA 3.46Å; E423-T425 VanDerWaalsContact OE2-CB 3.26Å; E423-T425 WeakPolarHBondContact OE2-CB 3.39Å; E423-T425 PolarHBondContact OE2-N 3.14Å; T425-M427 VanDerWaalsContact C-N 3.32Å; T425-M427 PolarHBondContact O-N 3.41Å; T425-M428 PolarHBondContact O-N 3.45Å; T425-L429 HydrophobicContact CG2-CD1 4.38Å; T425-L429 WeakPolarHBondContact O-CG 3.32Å; T425-L429 PolarHBondContact O-N 3.05Å; T425-V524 HydrophobicContact CG2-CG2 4.19Å
426V97.8Very high97.3Very high45 Ų4534 Ų3427%0.27317%0.174SC..Hα-helixtrans-64.9-37.7176178.10000111.7T145 E423 N424 L429 Q430T145-V426 HydrophobicContact CG2-CB 3.99Å; T145-V426 HydrophobicContact CG2-CG1 3.66Å; T145-V426 HydrophobicContact CG2-CG2 3.6Å; E423-V426 HydrophobicContact CB-CG2 4.49Å; E423-V426 PolarHBondContact O-N 3.11Å; E423-V426 VanDerWaalsContact O-N 3.07Å; E423-V426 WeakPolarHBondContact OE2-CG2 3.5Å; E423-V426 PolarHBondContact OE2-N 3.24Å; N424-V426 VanDerWaalsContact C-N 3.34Å; N424-V426 PolarHBondContact O-N 3.25Å; V426-L429 PolarHBondContact O-N 2.9Å; V426-Q430 PolarHBondContact O-N 2.84Å
427M97.7Very high97.2Very high8 Ų838 Ų384%0.03919%0.188CC..Hα-helixtrans-65.3-41.7174.9-68.9-57.894.900112R282 A375 A379 G422 E423 N424 T425 L429 Q430 T431R282-M427 PolarHBondContact NH2-SD 3.06Å; A375-M427 HydrophobicContact CB-CB 4.12Å; A375-M427 HydrophobicContact CB-CG 4.48Å; A375-M427 HydrophobicContact CB-SD 3.81Å; A379-M427 HydrophobicContact CB-CB 4.02Å; G422-M427 WeakPolarHBondContact O-CG 3.39Å; E423-M427 WeakPolarHBondContact O-CG 3.44Å; E423-M427 PolarHBondContact O-N 3.45Å; N424-M427 PolarHBondContact O-N 3.01Å; T425-M427 VanDerWaalsContact C-N 3.32Å; T425-M427 PolarHBondContact O-N 3.41Å; M427-L429 PolarHBondContact O-N 2.82Å; M427-Q430 WeakPolarHBondContact O-CB 3.45Å; M427-Q430 PolarHBondContact O-N 3.43Å; M427-Q430 VanDerWaalsContact O-N 3.15Å; M427-T431 PolarHBondContact O-N 3.45Å; M427-T431 PolarHBondContact O-OG1 3.08Å
428M98.6Very high97.1Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-60.3-44.6171.5-70-60.8-168.100111.5A379 F380 W383 N424 T425 Q430 T431 A432 V524 S527A379-M428 HydrophobicContact CB-CE 3.76Å; A379-M428 HydrophobicContact CB-CG 3.97Å; A379-M428 HydrophobicContact CB-SD 4.04Å; F380-M428 HydrophobicContact CB-CE 3.94Å; W383-M428 HydrophobicContact CE3-CE 3.92Å; W383-M428 HydrophobicContact CH2-CG 4.05Å; W383-M428 HydrophobicContact CZ3-CE 3.7Å; W383-M428 HydrophobicContact CZ3-CG 3.71Å; N424-M428 WeakPolarHBondContact O-CG 3.25Å; N424-M428 PolarHBondContact O-N 3.29Å; T425-M428 PolarHBondContact O-N 3.45Å; M428-Q430 PolarHBondContact O-N 3.25Å; M428-T431 WeakPolarHBondContact O-CB 3.22Å; M428-T431 PolarHBondContact O-N 3.06Å; M428-A432 PolarHBondContact O-N 3.39Å; M428-V524 HydrophobicContact CB-CB 4.41Å; M428-V524 HydrophobicContact CB-CG1 4.02Å; M428-V524 HydrophobicContact CB-CG2 4.12Å; M428-V524 HydrophobicContact CG-CG1 4.25Å; M428-S527 WeakPolarHBondContact O-CB 3.3Å; M428-S527 PolarHBondContact O-OG 3.32Å
429L98.4Very high97Very high29 Ų2937.8 Ų37.815%0.15219%0.185CC..Hα-helixtrans-63.6-31.3175.7-71.6172000112.7T425 V426 M427 A432 R433 W516 A520 L523 V524T425-L429 HydrophobicContact CG2-CD1 4.38Å; T425-L429 WeakPolarHBondContact O-CG 3.32Å; T425-L429 PolarHBondContact O-N 3.05Å; V426-L429 PolarHBondContact O-N 2.9Å; M427-L429 PolarHBondContact O-N 2.82Å; L429-A432 WeakPolarHBondContact O-CB 3.25Å; L429-A432 PolarHBondContact O-N 2.94Å; L429-R433 PolarHBondContact O-N 3.29Å; L429-R433 VanDerWaalsContact O-N 3.08Å; L429-W516 HydrophobicContact CD2-CZ2 4.36Å; L429-A520 HydrophobicContact CD2-CB 4.06Å; L429-L523 HydrophobicContact CD2-CB 4.01Å; L429-V524 HydrophobicContact CD2-CG2 3.88Å; L429-V524 HydrophobicContact CG-CG2 3.99Å
430Q96.5Very high96.8Very high38 Ų3837.7 Ų37.718%0.17817%0.174CC..Hα-helixtrans-66.6-44.6173.9-169.5-179-79.900111.5H371 V426 M427 M428 A432 R433 Y434H371-Q430 PolarHBondContact CD2-NE2 3.22Å; H371-Q430 VanDerWaalsContact CD2-NE2 3.34Å; H371-Q430 PolarHBondContact CE1-NE2 3.27Å; H371-Q430 PolarHBondContact CE1-OE1 3.45Å; H371-Q430 PolarHBondContact ND1-NE2 3.08Å; H371-Q430 PolarHBondContact NE2-NE2 3.03Å; H371-Q430 PolarHBondContact O-NE2 3.45Å; V426-Q430 PolarHBondContact O-N 2.84Å; M427-Q430 WeakPolarHBondContact O-CB 3.45Å; M427-Q430 PolarHBondContact O-N 3.43Å; M427-Q430 VanDerWaalsContact O-N 3.15Å; M428-Q430 PolarHBondContact O-N 3.25Å; Q430-A432 VanDerWaalsContact C-N 3.32Å; Q430-R433 PolarHBondContact O-N 3.03Å; Q430-Y434 PolarHBondContact O-N 3.19Å
431T98.2Very high96.7Very high0 Ų036.6 Ų36.60%017%0.171CC..Hα-helixtrans-60.7-43.1172.1-56.30000110.7A372 G376 M427 M428 R433 Y434 L435A372-T431 PolarHBondContact O-OG1 3.13Å; G376-T431 VanDerWaalsContact CA-OG1 3.25Å; G376-T431 WeakPolarHBondContact CA-OG1 3.49Å; G376-T431 PolarHBondContact N-OG1 3.09Å; G376-T431 VanDerWaalsContact N-OG1 3.09Å; M427-T431 PolarHBondContact O-N 3.45Å; M427-T431 PolarHBondContact O-OG1 3.08Å; M428-T431 WeakPolarHBondContact O-CB 3.22Å; M428-T431 PolarHBondContact O-N 3.06Å; T431-R433 VanDerWaalsContact C-N 3.29Å; T431-R433 PolarHBondContact O-N 3.1Å; T431-Y434 WeakPolarHBondContact O-CB 3.28Å; T431-Y434 PolarHBondContact O-N 3.39Å; T431-L435 HydrophobicContact CG2-CD1 4.06Å; T431-L435 HydrophobicContact CG2-CG 4.28Å; T431-L435 WeakPolarHBondContact O-CG 3.4Å; T431-L435 PolarHBondContact O-N 3.05Å
432A98.4Very high96.7Very high1 Ų134.9 Ų34.91%0.00816%0.164CC..Hα-helixtrans-57.5-40.2178.100000112.6M428 L429 Q430 Y434 L435 V436 W516 L523 S527M428-A432 PolarHBondContact O-N 3.39Å; L429-A432 WeakPolarHBondContact O-CB 3.25Å; L429-A432 PolarHBondContact O-N 2.94Å; Q430-A432 VanDerWaalsContact C-N 3.32Å; A432-Y434 VanDerWaalsContact C-N 3.28Å; A432-Y434 PolarHBondContact O-N 3.17Å; A432-L435 PolarHBondContact O-N 3.39Å; A432-V436 WeakPolarHBondContact O-CG2 3.13Å; A432-V436 PolarHBondContact O-N 3.17Å; A432-W516 HydrophobicContact CB-CH2 4.06Å; A432-W516 HydrophobicContact CB-CZ2 4.26Å; A432-L523 HydrophobicContact CB-CB 3.7Å; A432-L523 HydrophobicContact CB-CD2 3.87Å; A432-L523 HydrophobicContact CB-CG 4.36Å; A432-L523 WeakPolarHBondContact CB-O 3.43Å; A432-S527 VanDerWaalsContact CA-OG 3.26Å; A432-S527 WeakPolarHBondContact CA-OG 3.38Å; A432-S527 VanDerWaalsContact CB-OG 3.27Å; A432-S527 WeakPolarHBondContact CB-OG 3.42Å; A432-S527 PolarHBondContact N-OG 3.19Å
433R97.4Very high96.5Very high137 Ų13737.2 Ų37.252%0.51717%0.169SC..Hα-helixtrans-60-41.6176.8-74-176.4-164.5122.51.7111.3L429 Q430 T431 K437 W516L429-R433 PolarHBondContact O-N 3.29Å; L429-R433 VanDerWaalsContact O-N 3.08Å; Q430-R433 PolarHBondContact O-N 3.03Å; T431-R433 VanDerWaalsContact C-N 3.29Å; T431-R433 PolarHBondContact O-N 3.1Å; R433-K437 VanDerWaalsContact O-CB 3.28Å; R433-K437 WeakPolarHBondContact O-CB 3.39Å; R433-K437 PolarHBondContact O-N 3.04Å; R433-K437 VanDerWaalsContact O-N 3.09Å; R433-W516 HydrophobicContact CB-CH2 3.96Å; R433-W516 HydrophobicContact CB-CZ2 4.4Å; R433-W516 HydrophobicContact CG-CH2 3.22Å; R433-W516 HydrophobicContact CG-CZ2 3.31Å; R433-W516 HydrophobicContact CG-CZ3 3.93Å
434Y96.9Very high96.2Very high42 Ų4242.6 Ų42.617%0.16519%0.192CC..Hα-helixtrans-66.2-46.7175.9177.3-104.6000111P368 E369 A372 Q430 T431 A432 V436 K437 S438 V452P368-Y434 HydrophobicContact CB-CD2 4.35Å; P368-Y434 HydrophobicContact CB-CE2 4.15Å; E369-Y434 HydrophobicContact CB-CE2 4.49Å; E369-Y434 WeakPolarHBondContact CB-OH 3.43Å; E369-Y434 HydrophobicContact CG-CE1 4.38Å; A372-Y434 VanDerWaalsContact CB-CB 3.46Å; A372-Y434 HydrophobicContact CB-CD1 3.46Å; A372-Y434 VanDerWaalsContact CB-CD1 3.46Å; A372-Y434 HydrophobicContact CB-CD2 4.26Å; A372-Y434 HydrophobicContact CB-CE1 4.25Å; A372-Y434 HydrophobicContact CB-CG 3.46Å; A372-Y434 VanDerWaalsContact CB-CG 3.46Å; Q430-Y434 PolarHBondContact O-N 3.19Å; T431-Y434 WeakPolarHBondContact O-CB 3.28Å; T431-Y434 PolarHBondContact O-N 3.39Å; A432-Y434 VanDerWaalsContact C-N 3.28Å; A432-Y434 PolarHBondContact O-N 3.17Å; Y434-V436 PolarHBondContact O-N 2.93Å; Y434-K437 WeakPolarHBondContact O-CB 3.33Å; Y434-K437 PolarHBondContact O-N 3.13Å; Y434-S438 WeakPolarHBondContact O-CB 3.47Å; Y434-S438 PolarHBondContact O-N 3.05Å; Y434-S438 PolarHBondContact O-OG 3Å; Y434-V452 HydrophobicContact CD1-CG1 4.3Å; Y434-V452 HydrophobicContact CE1-CG1 3.6Å; Y434-V452 HydrophobicContact CE1-CG2 4.12Å
435L98Very high95.8Very high1 Ų145 Ų451%0.00522%0.216CC..Hα-helixtrans-60.4-46.8179.2-65.2174.8000112.9T431 A432 K437 S438 Y439 V452 V495 H530T431-L435 HydrophobicContact CG2-CD1 4.06Å; T431-L435 HydrophobicContact CG2-CG 4.28Å; T431-L435 WeakPolarHBondContact O-CG 3.4Å; T431-L435 PolarHBondContact O-N 3.05Å; A432-L435 PolarHBondContact O-N 3.39Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 3.25Å; L435-S438 PolarHBondContact O-N 2.9Å; L435-Y439 WeakPolarHBondContact O-CB 3.45Å; L435-Y439 PolarHBondContact O-N 3.32Å; L435-V452 HydrophobicContact CD2-CG1 3.81Å; L435-V495 HydrophobicContact CB-CG1 4.23Å; L435-V495 HydrophobicContact CB-CG2 4.08Å; L435-V495 HydrophobicContact CD1-CG2 3.97Å; L435-V495 HydrophobicContact CG-CG2 4.41Å; L435-H530 HydrophobicContact CD1-CB 3.73Å; L435-H530 HydrophobicContact CD2-CB 4.32Å
436V96.9Very high95.5Very high7 Ų746.8 Ų46.84%0.04222%0.22CC..Hα-helixtrans-64.9-39.1177.4171.90000111.2A432 Y434 R440 I502 L523A432-V436 WeakPolarHBondContact O-CG2 3.13Å; A432-V436 PolarHBondContact O-N 3.17Å; Y434-V436 PolarHBondContact O-N 2.93Å; V436-R440 WeakPolarHBondContact O-CG 3.42Å; V436-R440 PolarHBondContact O-N 3.19Å; V436-I502 HydrophobicContact CG1-CD1 4.13Å; V436-I502 HydrophobicContact CG2-CD1 4.15Å; V436-L523 HydrophobicContact CG2-CD2 3.52Å
437K96.1Very high95.2Very high120 Ų12052.2 Ų52.252%0.52224%0.243SC..Hα-helixtrans-60.8-50.7174.3-178.2-174172.9-1730110.4R433 Y434 L435 Y439 R440 Q441R433-K437 VanDerWaalsContact O-CB 3.28Å; R433-K437 WeakPolarHBondContact O-CB 3.39Å; R433-K437 PolarHBondContact O-N 3.04Å; R433-K437 VanDerWaalsContact O-N 3.09Å; Y434-K437 WeakPolarHBondContact O-CB 3.33Å; Y434-K437 PolarHBondContact O-N 3.13Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 3.25Å; K437-Y439 PolarHBondContact O-N 3.35Å; K437-R440 PolarHBondContact O-N 3.14Å; K437-Q441 WeakPolarHBondContact O-CG 3.29Å; K437-Q441 PolarHBondContact O-N 3.34Å
438S95.9Very high94.9Very high2 Ų252.8 Ų52.81%0.01425%0.246CC..Hα-helixtrans-60.3-44.5179.1-610000111.4Y434 L435 R440 Q441 A442 L448Y434-S438 WeakPolarHBondContact O-CB 3.47Å; Y434-S438 PolarHBondContact O-N 3.05Å; Y434-S438 PolarHBondContact O-OG 3Å; L435-S438 PolarHBondContact O-N 2.9Å; S438-R440 PolarHBondContact O-N 2.92Å; S438-Q441 WeakPolarHBondContact O-CB 3.32Å; S438-Q441 PolarHBondContact O-N 3.11Å; S438-Q441 VanDerWaalsContact O-N 3.11Å; S438-A442 PolarHBondContact O-N 3.3Å; S438-L448 WeakPolarHBondContact O-CD1 3.41Å
439Y95.4Very high94.5Very high10 Ų1056.5 Ų56.54%0.03927%0.272CS..Hα-helixtrans-56.7-47.8175175.8-97000112.2L435 K437 Q441 A442 E443 V495 E496 A499L435-Y439 WeakPolarHBondContact O-CB 3.45Å; L435-Y439 PolarHBondContact O-N 3.32Å; K437-Y439 PolarHBondContact O-N 3.35Å; Y439-Q441 VanDerWaalsContact C-N 3.28Å; Y439-Q441 PolarHBondContact O-N 3.28Å; Y439-A442 PolarHBondContact O-N 3.49Å; Y439-E443 HydrophobicContact CD1-CG 4.33Å; Y439-E443 HydrophobicContact CE1-CG 3.81Å; Y439-E443 WeakPolarHBondContact CE1-OE2 3.41Å; Y439-E443 HydrophobicContact CE2-CG 4.34Å; Y439-E443 PolarHBondContact O-N 2.86Å; Y439-V495 HydrophobicContact CD2-CG1 4.32Å; Y439-V495 HydrophobicContact CG-CG1 4.25Å; Y439-E496 HydrophobicContact CE2-CB 3.81Å; Y439-E496 HydrophobicContact CE2-CG 4.18Å; Y439-A499 HydrophobicContact CD1-CB 3.46Å; Y439-A499 VanDerWaalsContact CD1-CB 3.46Å; Y439-A499 HydrophobicContact CE1-CB 3.59Å; Y439-A499 HydrophobicContact CG-CB 4.31Å
440R93.8Very high94Very high96 Ų9657 Ų5736%0.36229%0.285SS..Hα-helixtrans-64.5-31177-71.8174.2179.3-179.5-0.1112.9V436 K437 S438 K444V436-R440 WeakPolarHBondContact O-CG 3.42Å; V436-R440 PolarHBondContact O-N 3.19Å; K437-R440 PolarHBondContact O-N 3.14Å; S438-R440 PolarHBondContact O-N 2.92Å; R440-K444 VanDerWaalsContact O-CG 3.3Å; R440-K444 WeakPolarHBondContact O-CG 3.38Å; R440-K444 PolarHBondContact O-N 3.39Å
441Q94Very high93.7Very high57 Ų5755.6 Ų55.627%0.26628%0.278SS..Hα-helixtrans-69.1-46.6174.2-72.7179.4-70.900110.9K437 S438 Y439 E443 K444 G445 Q446 L448K437-Q441 WeakPolarHBondContact O-CG 3.29Å; K437-Q441 PolarHBondContact O-N 3.34Å; S438-Q441 WeakPolarHBondContact O-CB 3.32Å; S438-Q441 PolarHBondContact O-N 3.11Å; S438-Q441 VanDerWaalsContact O-N 3.11Å; Y439-Q441 VanDerWaalsContact C-N 3.28Å; Y439-Q441 PolarHBondContact O-N 3.28Å; Q441-E443 PolarHBondContact O-N 3.01Å; Q441-K444 PolarHBondContact O-N 2.83Å; Q441-K444 VanDerWaalsContact O-N 3.1Å; Q441-G445 PolarHBondContact O-N 3.46Å; Q441-Q446 HydrophobicContact CB-CB 4.16Å; Q441-Q446 VanDerWaalsContact CG-OE1 3.23Å; Q441-Q446 WeakPolarHBondContact O-CB 3.47Å; Q441-Q446 PolarHBondContact O-N 2.91Å; Q441-L448 HydrophobicContact CB-CD2 4.07Å
442A92.6Very high93.5Very high1 Ų155.7 Ų55.71%0.00828%0.278CS..Hα-helixtrans-59.8-43.6173.500000111.7S438 Y439 K444 G445 L448 Q459S438-A442 PolarHBondContact O-N 3.3Å; Y439-A442 PolarHBondContact O-N 3.49Å; A442-K444 PolarHBondContact O-N 3.49Å; A442-K444 VanDerWaalsContact O-N 3.13Å; A442-G445 PolarHBondContact O-N 3.45Å; A442-L448 HydrophobicContact CB-CD1 3.78Å; A442-L448 HydrophobicContact CB-CG 4.2Å; A442-Q459 PolarHBondContact O-NE2 2.98Å
443E89.7Confident93.2Very high69 Ų6958 Ų5832%0.32230%0.295SS..Hα-helixtrans-59.5-26.7175.8-80.4-152.697.700113.6Y439 Q441 G445 R462Y439-E443 HydrophobicContact CD1-CG 4.33Å; Y439-E443 HydrophobicContact CE1-CG 3.81Å; Y439-E443 WeakPolarHBondContact CE1-OE2 3.41Å; Y439-E443 HydrophobicContact CE2-CG 4.34Å; Y439-E443 PolarHBondContact O-N 2.86Å; Q441-E443 PolarHBondContact O-N 3.01Å; E443-G445 VanDerWaalsContact C-N 3.32Å; E443-R462 IonicContact OE1-NH2 2.72Å; E443-R462 PolarHBondContact OE1-NH2 2.98Å
444K91.5Very high93Very high172 Ų17252.2 Ų52.275%0.74827%0.273SS*.THydrogen-bonded Turntrans-86.94.7176.2-69.7176.2-178.2-172.90114R440 Q441 A442R440-K444 VanDerWaalsContact O-CG 3.3Å; R440-K444 WeakPolarHBondContact O-CG 3.38Å; R440-K444 PolarHBondContact O-N 3.39Å; Q441-K444 PolarHBondContact O-N 2.83Å; Q441-K444 VanDerWaalsContact O-N 3.1Å; A442-K444 PolarHBondContact O-N 3.49Å; A442-K444 VanDerWaalsContact O-N 3.13Å
445G89.3Confident92.8Very high50 Ų5050.3 Ų50.352%0.51527%0.266SS..THydrogen-bonded Turntrans86.310.5-179.600000115Q441 A442 E443Q441-G445 PolarHBondContact O-N 3.46Å; A442-G445 PolarHBondContact O-N 3.45Å; E443-G445 VanDerWaalsContact C-N 3.32Å
446Q92.1Very high92.3Very high97 Ų9751.6 Ų51.645%0.45327%0.272SS..  trans-79128.1173.8-59.6-173.7-10.300110Q441 L448Q441-Q446 HydrophobicContact CB-CB 4.16Å; Q441-Q446 VanDerWaalsContact CG-OE1 3.23Å; Q441-Q446 WeakPolarHBondContact O-CB 3.47Å; Q441-Q446 PolarHBondContact O-N 2.91Å; Q446-L448 PolarHBondContact O-N 3.28Å
447Q91.8Very high90.9Very high160 Ų16052.9 Ų52.975%0.74829%0.288SS*.  trans-73.9115.4174.9-171.167.79.900110N456Q447-N456 PolarHBondContact NE2-ND2 3.05Å
448L91.8Very high89.2Confident19 Ų1948.3 Ų48.310%0.09927%0.27CS..  trans-82.4150.6173.1-55.4174.7000111.1S438 Q441 A442 Q446 L455 N456S438-L448 WeakPolarHBondContact O-CD1 3.41Å; Q441-L448 HydrophobicContact CB-CD2 4.07Å; A442-L448 HydrophobicContact CB-CD1 3.78Å; A442-L448 HydrophobicContact CB-CG 4.2Å; Q446-L448 PolarHBondContact O-N 3.28Å; L448-L455 HydrophobicContact CD1-CB 3.7Å; L448-L455 HydrophobicContact CD1-CD1 4.37Å; L448-N456 VanDerWaalsContact CB-OD1 3.28Å; L448-N456 WeakPolarHBondContact CB-OD1 3.31Å; L448-N456 WeakPolarHBondContact CG-OD1 3.49Å; L448-N456 PolarHBondContact N-ND2 3.09Å; L448-N456 PolarHBondContact N-OD1 3.03Å; L448-N456 PolarHBondContact O-ND2 3.42Å
449S89.3Confident87Confident79 Ų7952.2 Ų52.255%0.55229%0.288SS*.  trans-120.3-177.5172.559.80000110.5
450G89.1Confident84.6Confident40 Ų4058.3 Ų58.341%0.41232%0.322SS..G310 helixtrans68.3-152.6174.700000113.9E369 V452 S453E369-G450 WeakPolarHBondContact OE1-CA 3.44Å; G450-V452 PolarHBondContact O-N 3.27Å; G450-S453 VanDerWaalsContact O-CB 3.29Å; G450-S453 WeakPolarHBondContact O-CB 3.32Å; G450-S453 PolarHBondContact O-N 3.47Å; G450-S453 PolarHBondContact O-OG 3.38Å
451I89.2Confident82.6Confident8 Ų859 Ų594%0.04132%0.324CS..G310 helixtrans-71.1-13.6-172.6-156.658.7000113.4E369 Y454 Y533 V534 K537E369-I451 HydrophobicContact CG-CG2 4.19Å; E369-I451 WeakPolarHBondContact OE1-CB 3.4Å; E369-I451 WeakPolarHBondContact OE1-CG2 3.31Å; E369-I451 PolarHBondContact OE1-N 3.16Å; I451-Y454 WeakPolarHBondContact O-CD1 3.46Å; I451-Y454 WeakPolarHBondContact O-CE1 3.45Å; I451-Y533 HydrophobicContact CD1-CE1 4.33Å; I451-V534 HydrophobicContact CD1-CG1 4.32Å; I451-V534 HydrophobicContact CD1-CG2 3.89Å; I451-V534 HydrophobicContact CG1-CG1 4.41Å; I451-V534 HydrophobicContact CG1-CG2 3.44Å; I451-V534 VanDerWaalsContact CG1-CG2 3.44Å; I451-K537 HydrophobicContact CD1-CD 4.32Å
452V93.9Very high80.1Confident1 Ų164.9 Ų64.91%0.00634%0.344CS..G310 helixtrans-102.14.1176.9-66.40000113.6Y434 L435 G450 Y454 L455Y434-V452 HydrophobicContact CD1-CG1 4.3Å; Y434-V452 HydrophobicContact CE1-CG1 3.6Å; Y434-V452 HydrophobicContact CE1-CG2 4.12Å; L435-V452 HydrophobicContact CD2-CG1 3.81Å; G450-V452 PolarHBondContact O-N 3.27Å; V452-Y454 PolarHBondContact O-N 2.88Å; V452-Y454 VanDerWaalsContact O-N 3.07Å; V452-L455 HydrophobicContact CB-CD1 4.23Å; V452-L455 WeakPolarHBondContact O-CB 3.42Å; V452-L455 PolarHBondContact O-N 2.98Å
453S93.6Very high77.3Confident50 Ų5070.2 Ų70.235%0.3538%0.376SS..G310 helixtrans-56.7-24.5178.956.20000113.8G450 L455 N456G450-S453 VanDerWaalsContact O-CB 3.29Å; G450-S453 WeakPolarHBondContact O-CB 3.32Å; G450-S453 PolarHBondContact O-N 3.47Å; G450-S453 PolarHBondContact O-OG 3.38Å; S453-L455 PolarHBondContact O-N 3.25Å; S453-L455 VanDerWaalsContact O-N 3.16Å; S453-N456 VanDerWaalsContact O-CB 3.31Å; S453-N456 WeakPolarHBondContact O-CB 3.31Å; S453-N456 VanDerWaalsContact O-CG 3.31Å; S453-N456 PolarHBondContact O-N 3.35Å; S453-N456 VanDerWaalsContact O-N 3.09Å; S453-N456 PolarHBondContact O-ND2 2.89Å
454Y92.3Very high74.5Confident16 Ų1673.9 Ų73.96%0.06339%0.393CS..G310 helixtrans-61.2-21.5174.570-98.4000113.7I451 V452 N456 G457 Q488 A491 A492 H530 Y533I451-Y454 WeakPolarHBondContact O-CD1 3.46Å; I451-Y454 WeakPolarHBondContact O-CE1 3.45Å; V452-Y454 PolarHBondContact O-N 2.88Å; V452-Y454 VanDerWaalsContact O-N 3.07Å; Y454-N456 PolarHBondContact O-N 3.49Å; Y454-G457 PolarHBondContact O-N 3Å; Y454-Q488 HydrophobicContact CD1-CG 4.33Å; Y454-Q488 HydrophobicContact CD2-CG 4.15Å; Y454-Q488 HydrophobicContact CG-CG 3.72Å; Y454-A491 HydrophobicContact CE2-CB 4.2Å; Y454-A492 HydrophobicContact CD2-CB 3.87Å; Y454-A492 HydrophobicContact CE2-CB 3.96Å; Y454-H530 AromaticContact CE1-CE1 3.86Å; Y454-H530 AromaticContact CE1-ND1 3.56Å; Y454-H530 AromaticContact CZ-ND1 3.62Å; Y454-H530 PolarHBondContact OH-ND1 3.28Å; Y454-Y533 HydrophobicContact CD1-CD1 4.4Å; Y454-Y533 AromaticContact CD1-CE1 3.72Å; Y454-Y533 HydrophobicContact CD1-CE1 3.72Å; Y454-Y533 HydrophobicContact CE1-CD1 4.1Å; Y454-Y533 AromaticContact CE1-CE1 3.78Å; Y454-Y533 HydrophobicContact CE1-CE1 3.78Å
455L92.8Very high71.8Confident2 Ų272 Ų721%0.0140%0.399CS..G310 helixtrans-72.2-15.8177-65.5176000112.8L448 V452 S453 G457 S458 A492 V495L448-L455 HydrophobicContact CD1-CB 3.7Å; L448-L455 HydrophobicContact CD1-CD1 4.37Å; V452-L455 HydrophobicContact CB-CD1 4.23Å; V452-L455 WeakPolarHBondContact O-CB 3.42Å; V452-L455 PolarHBondContact O-N 2.98Å; S453-L455 PolarHBondContact O-N 3.25Å; S453-L455 VanDerWaalsContact O-N 3.16Å; L455-G457 PolarHBondContact O-N 3.48Å; L455-S458 PolarHBondContact O-N 3.07Å; L455-S458 PolarHBondContact O-OG 2.86Å; L455-A492 HydrophobicContact CD2-CB 4.45Å; L455-V495 HydrophobicContact CD1-CG1 4.32Å; L455-V495 HydrophobicContact CD2-CB 4.18Å; L455-V495 HydrophobicContact CD2-CG1 4Å
456N86.9Confident69.2Low27 Ų2776.1 Ų76.114%0.14441%0.405CS..G310 helixtrans-61.5-31.8173.6-65.7-35.4000112Q447 L448 S453 Y454 S458 Q459Q447-N456 PolarHBondContact NE2-ND2 3.05Å; L448-N456 VanDerWaalsContact CB-OD1 3.28Å; L448-N456 WeakPolarHBondContact CB-OD1 3.31Å; L448-N456 WeakPolarHBondContact CG-OD1 3.49Å; L448-N456 PolarHBondContact N-ND2 3.09Å; L448-N456 PolarHBondContact N-OD1 3.03Å; L448-N456 PolarHBondContact O-ND2 3.42Å; S453-N456 VanDerWaalsContact O-CB 3.31Å; S453-N456 WeakPolarHBondContact O-CB 3.31Å; S453-N456 VanDerWaalsContact O-CG 3.31Å; S453-N456 PolarHBondContact O-N 3.35Å; S453-N456 VanDerWaalsContact O-N 3.09Å; S453-N456 PolarHBondContact O-ND2 2.89Å; Y454-N456 PolarHBondContact O-N 3.49Å; N456-S458 PolarHBondContact O-N 2.98Å; N456-Q459 PolarHBondContact O-N 2.59Å
457G69.1Low66.5Low35 Ų3575.5 Ų75.536%0.36142%0.416SS..G310 helixtrans-68.7-10.2-178.800000114.8Y454 L455 Q459 N460Y454-G457 PolarHBondContact O-N 3Å; L455-G457 PolarHBondContact O-N 3.48Å; G457-Q459 PolarHBondContact O-N 3.45Å; G457-N460 PolarHBondContact O-N 2.88Å
458S58.5Low64.4Low23 Ų2374.7 Ų74.716%0.16142%0.422CS..G310 helixtrans-65.4-25.3176.464.70000112.3L455 N456 R461L455-S458 PolarHBondContact O-N 3.07Å; L455-S458 PolarHBondContact O-OG 2.86Å; N456-S458 PolarHBondContact O-N 2.98Å; S458-R461 PolarHBondContact O-N 3.5Å
459Q50Low61.9Low84 Ų8478.7 Ų78.739%0.39346%0.458SS..G310 helixtrans-67.5-34.1173.2-63-159.8-27.100113.3A442 N456 G457 R461 R462A442-Q459 PolarHBondContact O-NE2 2.98Å; N456-Q459 PolarHBondContact O-N 2.59Å; G457-Q459 PolarHBondContact O-N 3.45Å; Q459-R461 PolarHBondContact O-N 2.79Å; Q459-R462 PolarHBondContact O-N 2.94Å
460N45.7Very low59.7Low138 Ų13878.5 Ų78.574%0.73846%0.457SS*.G310 helixtrans-73.9-10.3177.7-74.9-15.1000113.2G457 R462G457-N460 PolarHBondContact O-N 2.88Å; N460-R462 VanDerWaalsContact C-N 3.31Å
461R51.8Low57.5Low110 Ų11088.1 Ų88.142%0.41548%0.48SS..G310 helixtrans-80.9-5.6171.6-66.4-178.7179-178.1-4.2113.3S458 Q459 V463 T493 E496S458-R461 PolarHBondContact O-N 3.5Å; Q459-R461 PolarHBondContact O-N 2.79Å; R461-V463 VanDerWaalsContact C-N 3.27Å; R461-V463 PolarHBondContact O-N 3.19Å; R461-T493 PolarHBondContact NH1-OG1 3.22Å; R461-T493 VanDerWaalsContact NH1-OG1 3.16Å; R461-T493 PolarHBondContact NH2-OG1 3.29Å; R461-E496 IonicContact NH1-OE2 2.68Å; R461-E496 PolarHBondContact NH1-OE2 3.33Å
462R40.8Very low55.6Low181 Ų18198.3 Ų98.368%0.68352%0.518SS*.G310 helixtrans-81.25.3175.4-74.4-172.1-175.9175.94114.4E443 Q459 N460E443-R462 IonicContact OE1-NH2 2.72Å; E443-R462 PolarHBondContact OE1-NH2 2.98Å; Q459-R462 PolarHBondContact O-N 2.94Å; N460-R462 VanDerWaalsContact C-N 3.31Å
463V34.7Very low53.6Low114 Ų114103.1 Ų103.169%0.69155%0.55SS*.SBendtrans-100.796.1174.5-172.90000110.4R461R461-V463 VanDerWaalsContact C-N 3.27Å; R461-V463 PolarHBondContact O-N 3.19Å
464Q30.4Very low51.9Low145 Ų145108.9 Ų108.968%0.67858%0.576SS**  trans58.2132.6161.3-62.6-170.73.100120.3Q466Q464-Q466 VanDerWaalsContact C-N 3.3Å; Q464-Q466 PolarHBondContact O-N 3.38Å
465P35.8Very low50.8Low134 Ų134108.9 Ų108.987%0.8758%0.577SS**  trans-69.789.8156.530.3-29.4000108.4A467P465-A467 PolarHBondContact O-N 3.41Å
466Q33Very low50.5Low136 Ų136112.5 Ų112.564%0.63660%0.597SS**  trans-72.8123.6163.7-78.9-158.1-17.700109Q464 V468 S470Q464-Q466 VanDerWaalsContact C-N 3.3Å; Q464-Q466 PolarHBondContact O-N 3.38Å; Q466-V468 PolarHBondContact O-N 3.2Å; Q466-S470 PolarHBondContact OE1-OG 3.48Å
467A37Very low50.4Low84 Ų84112 Ų11269%0.69459%0.594SS**  trans-53.9129.6172.300000110.7P465 A469P465-A467 PolarHBondContact O-N 3.41Å; A467-A469 PolarHBondContact O-N 2.96Å; A467-A469 VanDerWaalsContact O-N 3.17Å
468V46.1Very low51.2Low142 Ų142114.1 Ų114.186%0.86160%0.597SS**SBendtrans23.181.4145.5-160.40000115.4Q466Q466-V468 PolarHBondContact O-N 3.2Å
469A41Very low52.8Low103 Ų103115.9 Ų115.985%0.85160%0.604SS**SBendtrans161.7-18.9145.400000115.3A467A467-A469 PolarHBondContact O-N 2.96Å; A467-A469 VanDerWaalsContact O-N 3.17Å
470S41.6Very low54.9Low76 Ų76112.6 Ų112.653%0.53159%0.59SS.*SBendtrans-102.3106.5-168.3370000113.5Q466Q466-S470 PolarHBondContact OE1-OG 3.48Å
471R43.3Very low57.1Low241 Ų241108.5 Ų108.591%0.90957%0.571SS**  trans71.971.8173.9-63.9-176.4177-177.7-1116.6
472R50.3Low59Low223 Ų223104.4 Ų104.484%0.84256%0.56SS**  trans-67.4130.7146.2-66.3180-177.6175.31.1106.7L474R472-L474 PolarHBondContact O-N 3.32Å
473P50.6Low61.6Low102 Ų10295.8 Ų95.866%0.66253%0.527SS*.  trans-55119.3161.9-14.927.9000105.6V475P473-V475 HydrophobicContact CB-CG2 4.42Å; P473-V475 PolarHBondContact O-N 3.39Å
474L58Low64.5Low171 Ų17191 Ų9190%0.89550%0.499SS*.  trans-63.689.4161.9-89.7147.4000104.4R472 D476R472-L474 PolarHBondContact O-N 3.32Å; L474-D476 VanDerWaalsContact C-N 3.3Å; L474-D476 PolarHBondContact O-N 2.94Å
475V70.6Confident67.4Low16 Ų1689.9 Ų89.910%0.09749%0.493CS..  trans-64.6101.9170.1175.20000105.1P473 I477 L483 V486 L579P473-V475 HydrophobicContact CB-CG2 4.42Å; P473-V475 PolarHBondContact O-N 3.39Å; V475-I477 HydrophobicContact CG1-CG2 4.23Å; V475-I477 PolarHBondContact O-N 3.11Å; V475-L483 HydrophobicContact CG1-CD2 4.44Å; V475-V486 HydrophobicContact CB-CG2 4.22Å; V475-V486 HydrophobicContact CG1-CG2 3.69Å; V475-V486 HydrophobicContact CG2-CG2 3.45Å; V475-V486 VanDerWaalsContact CG2-CG2 3.45Å; V475-L579 WeakPolarHBondContact CG2-O 3.33Å
476D85.3Confident70.1Confident78 Ų7884 Ų8442%0.41745%0.454SS..  trans-73.9104.3166.3-173.8-5.6000107.2L474 N478 D479 S482L474-D476 VanDerWaalsContact C-N 3.3Å; L474-D476 PolarHBondContact O-N 2.94Å; D476-N478 PolarHBondContact O-N 3.35Å; D476-N478 WeakPolarHBondContact OD1-CB 3.46Å; D476-N478 PolarHBondContact OD1-N 2.9Å; D476-D479 HydrophobicContact CB-CB 4.07Å; D476-D479 PolarHBondContact O-N 3.22Å; D476-S482 WeakPolarHBondContact O-CB 3.35Å
477I84.2Confident73.1Confident16 Ų1677.5 Ų77.58%0.08242%0.424CS..THydrogen-bonded Turntrans-64.1-19.2-18062.2173.4000111.8V475 M564 Q587 I588V475-I477 HydrophobicContact CG1-CG2 4.23Å; V475-I477 PolarHBondContact O-N 3.11Å; I477-M564 HydrophobicContact CB-CE 4.49Å; I477-M564 WeakPolarHBondContact O-CE 3.41Å; I477-Q587 HydrophobicContact CD1-CB 3.83Å; I477-I588 HydrophobicContact CB-CG1 4.19Å; I477-I588 HydrophobicContact CD1-CG1 4.26Å; I477-I588 HydrophobicContact CG2-CD1 4.05Å; I477-I588 HydrophobicContact CG2-CG1 3.94Å
478N86.7Confident75.9Confident80 Ų8076 Ų7643%0.42840%0.403SS..THydrogen-bonded Turntrans-90.3-10.5179.4-60.8-64000113.4D476 R591D476-N478 PolarHBondContact O-N 3.35Å; D476-N478 WeakPolarHBondContact OD1-CB 3.46Å; D476-N478 PolarHBondContact OD1-N 2.9Å; N478-R591 PolarHBondContact OD1-NE 3.24Å
479D91.8Very high78.1Confident60 Ų6072.6 Ų72.632%0.32138%0.377SS..  trans-97.7117.7175.1170.835.9000110.6D476 S481 S482 L483D476-D479 HydrophobicContact CB-CB 4.07Å; D476-D479 PolarHBondContact O-N 3.22Å; D479-S481 PolarHBondContact O-N 3.47Å; D479-S481 PolarHBondContact OD1-N 3.15Å; D479-S482 WeakPolarHBondContact O-CB 3.1Å; D479-S482 PolarHBondContact O-N 3.09Å; D479-S482 WeakPolarHBondContact OD2-CB 3.27Å; D479-S482 PolarHBondContact OD2-N 3.01Å; D479-S482 PolarHBondContact OD2-OG 2.83Å; D479-L483 PolarHBondContact O-N 3.32Å
480L93.8Very high80.7Confident15 Ų1567.8 Ų67.88%0.07934%0.337CS..Hα-helixtrans-62.9-32.1179.3-175.163.2000112.2L483 V484 V536 N540 L543 A559 L560 A563L480-L483 PolarHBondContact O-N 3.05Å; L480-V484 WeakPolarHBondContact O-CG2 3.25Å; L480-V484 PolarHBondContact O-N 3.18Å; L480-V536 HydrophobicContact CD1-CG1 4.49Å; L480-N540 HydrophobicContact CD2-CB 3.83Å; L480-N540 WeakPolarHBondContact CD2-OD1 3.32Å; L480-N540 HydrophobicContact CG-CB 4.07Å; L480-N540 WeakPolarHBondContact CG-OD1 3.24Å; L480-L543 HydrophobicContact CD2-CD1 3.43Å; L480-L543 VanDerWaalsContact CD2-CD1 3.43Å; L480-A559 HydrophobicContact CD1-CB 4.25Å; L480-A559 HydrophobicContact CD2-CB 3.57Å; L480-L560 HydrophobicContact CB-CD2 4.12Å; L480-L560 HydrophobicContact CD1-CD2 4.44Å; L480-A563 HydrophobicContact CD1-CB 4.15Å
481S93.3Very high83.4Confident51 Ų5164.1 Ų64.136%0.35731%0.312SS..Hα-helixtrans-66.5-43.4177.6-63.40000111.1D479 L483 V484 E485D479-S481 PolarHBondContact O-N 3.47Å; D479-S481 PolarHBondContact OD1-N 3.15Å; S481-L483 VanDerWaalsContact C-N 3.3Å; S481-L483 PolarHBondContact O-N 3.48Å; S481-V484 WeakPolarHBondContact O-CB 3.43Å; S481-V484 PolarHBondContact O-N 3Å; S481-V484 VanDerWaalsContact O-N 3.16Å; S481-E485 PolarHBondContact O-N 3.15Å; S481-E485 VanDerWaalsContact O-N 3.12Å
482S92Very high85.8Confident25 Ų2553.2 Ų53.218%0.17527%0.273CS..Hα-helixtrans-57.6-41170.7-65.30000112.2D476 D479 E485 V486D476-S482 WeakPolarHBondContact O-CB 3.35Å; D479-S482 WeakPolarHBondContact O-CB 3.1Å; D479-S482 PolarHBondContact O-N 3.09Å; D479-S482 WeakPolarHBondContact OD2-CB 3.27Å; D479-S482 PolarHBondContact OD2-N 3.01Å; D479-S482 PolarHBondContact OD2-OG 2.83Å; S482-E485 PolarHBondContact O-N 2.89Å; S482-V486 WeakPolarHBondContact O-CG2 3.28Å; S482-V486 PolarHBondContact O-N 3.24Å; S482-V486 VanDerWaalsContact O-N 3.15Å
483L94.1Very high87.9Confident0 Ų043.7 Ų43.70%024%0.24CC..Hα-helixtrans-65.1-41.1174.5-64.2-177.5000112.3V475 D479 L480 S481 E485 V486 Y487 L560 A563 M564 I567V475-L483 HydrophobicContact CG1-CD2 4.44Å; D479-L483 PolarHBondContact O-N 3.32Å; L480-L483 PolarHBondContact O-N 3.05Å; S481-L483 VanDerWaalsContact C-N 3.3Å; S481-L483 PolarHBondContact O-N 3.48Å; L483-E485 VanDerWaalsContact C-N 3.28Å; L483-E485 PolarHBondContact O-N 2.92Å; L483-V486 WeakPolarHBondContact O-CB 3.47Å; L483-V486 PolarHBondContact O-N 3.36Å; L483-V486 VanDerWaalsContact O-N 3.11Å; L483-Y487 VanDerWaalsContact O-CD2 3.32Å; L483-Y487 WeakPolarHBondContact O-CD2 3.14Å; L483-Y487 PolarHBondContact O-N 2.8Å; L483-L560 HydrophobicContact CD1-CD2 3.96Å; L483-A563 HydrophobicContact CB-CB 4.33Å; L483-A563 HydrophobicContact CD1-CB 3.73Å; L483-M564 HydrophobicContact CD1-CG 4.31Å; L483-I567 HydrophobicContact CD2-CD1 3.83Å
484V95.1Very high90.1Very high14 Ų1439.2 Ų39.29%0.08521%0.21CC..Hα-helixtrans-56.4-43.8175.3171.70000110.8L480 S481 V486 Y487 Q488 Y533 V536 K537 N540L480-V484 WeakPolarHBondContact O-CG2 3.25Å; L480-V484 PolarHBondContact O-N 3.18Å; S481-V484 WeakPolarHBondContact O-CB 3.43Å; S481-V484 PolarHBondContact O-N 3Å; S481-V484 VanDerWaalsContact O-N 3.16Å; V484-V486 VanDerWaalsContact C-N 3.34Å; V484-V486 PolarHBondContact O-N 3.27Å; V484-Y487 PolarHBondContact O-N 3.17Å; V484-Q488 WeakPolarHBondContact O-CB 3.46Å; V484-Q488 PolarHBondContact O-N 3.16Å; V484-Y533 HydrophobicContact CG1-CE2 4.25Å; V484-V536 HydrophobicContact CG2-CG1 3.86Å; V484-K537 HydrophobicContact CG1-CB 4.15Å; V484-N540 HydrophobicContact CG2-CB 3.66Å
485E92.2Very high92Very high121 Ų12131.1 Ų31.157%0.56517%0.168SC*.Hα-helixtrans-61.3-42.6176.4-67.9-176-175.400111.8S481 S482 L483 Y487 Q488 Q489S481-E485 PolarHBondContact O-N 3.15Å; S481-E485 VanDerWaalsContact O-N 3.12Å; S482-E485 PolarHBondContact O-N 2.89Å; L483-E485 VanDerWaalsContact C-N 3.28Å; L483-E485 PolarHBondContact O-N 2.92Å; E485-Y487 PolarHBondContact O-N 3.03Å; E485-Q488 WeakPolarHBondContact O-CB 3.42Å; E485-Q488 PolarHBondContact O-N 3.22Å; E485-Q489 VanDerWaalsContact O-CG 3.31Å; E485-Q489 WeakPolarHBondContact O-CG 3.34Å; E485-Q489 PolarHBondContact O-N 2.93Å
486V92.3Very high93.2Very high9 Ų932 Ų326%0.05517%0.171CC..Hα-helixtrans-62.2-43.1176.9169.80000111.8V475 S482 L483 V484 Q489 R490 F574 L579 V580V475-V486 HydrophobicContact CB-CG2 4.22Å; V475-V486 HydrophobicContact CG1-CG2 3.69Å; V475-V486 HydrophobicContact CG2-CG2 3.45Å; V475-V486 VanDerWaalsContact CG2-CG2 3.45Å; S482-V486 WeakPolarHBondContact O-CG2 3.28Å; S482-V486 PolarHBondContact O-N 3.24Å; S482-V486 VanDerWaalsContact O-N 3.15Å; L483-V486 WeakPolarHBondContact O-CB 3.47Å; L483-V486 PolarHBondContact O-N 3.36Å; L483-V486 VanDerWaalsContact O-N 3.11Å; V484-V486 VanDerWaalsContact C-N 3.34Å; V484-V486 PolarHBondContact O-N 3.27Å; V486-Q489 PolarHBondContact O-N 3.48Å; V486-R490 PolarHBondContact O-N 3.04Å; V486-F574 HydrophobicContact CG1-CD1 3.52Å; V486-F574 HydrophobicContact CG1-CE1 3.66Å; V486-L579 HydrophobicContact CG1-CB 4.18Å; V486-V580 HydrophobicContact CG1-CG1 4.21Å
487Y96.4Very high93.7Very high1 Ų130.9 Ų30.90%0.00416%0.164CC..Hα-helixtrans-63.1-41.2173.7-88.7-90.6000112.4L483 V484 E485 R490 A491 H532 V536 A563 G566 I567 F574L483-Y487 VanDerWaalsContact O-CD2 3.32Å; L483-Y487 WeakPolarHBondContact O-CD2 3.14Å; L483-Y487 PolarHBondContact O-N 2.8Å; V484-Y487 PolarHBondContact O-N 3.17Å; E485-Y487 PolarHBondContact O-N 3.03Å; Y487-R490 PolarHBondContact O-N 3.23Å; Y487-A491 PolarHBondContact O-N 2.97Å; Y487-H532 AromaticContact CE1-CD2 3.48Å; Y487-H532 VanDerWaalsContact CE1-CD2 3.48Å; Y487-H532 WeakPolarHBondContact CE1-CD2 3.33Å; Y487-H532 AromaticContact CE1-CE1 3.79Å; Y487-H532 AromaticContact CE1-CG 3.72Å; Y487-H532 AromaticContact CE1-ND1 3.91Å; Y487-H532 AromaticContact CE1-NE2 3.53Å; Y487-H532 AromaticContact CZ-NE2 3.93Å; Y487-V536 HydrophobicContact CD1-CG2 4.07Å; Y487-V536 HydrophobicContact CD2-CG1 4.21Å; Y487-V536 HydrophobicContact CD2-CG2 4.12Å; Y487-V536 HydrophobicContact CE1-CG2 4.04Å; Y487-V536 HydrophobicContact CE2-CG2 4.1Å; Y487-V536 HydrophobicContact CG-CB 4.45Å; Y487-V536 HydrophobicContact CG-CG2 4.11Å; Y487-A563 HydrophobicContact CE2-CB 4.04Å; Y487-A563 WeakPolarHBondContact CE2-O 3.43Å; Y487-A563 PolarHBondContact OH-O 3.36Å; Y487-G566 WeakPolarHBondContact OH-CA 3.4Å; Y487-I567 HydrophobicContact CE2-CD1 4.01Å; Y487-I567 HydrophobicContact CE2-CG1 3.77Å; Y487-I567 PolarHBondContact OH-N 3.18Å; Y487-F574 HydrophobicContact CD1-CZ 4.08Å; Y487-F574 HydrophobicContact CD2-CE1 4.49Å; Y487-F574 HydrophobicContact CD2-CZ 4.47Å; Y487-F574 AromaticContact CE1-CZ 3.8Å; Y487-F574 HydrophobicContact CE1-CZ 3.8Å; Y487-F574 HydrophobicContact CE2-CZ 4.22Å; Y487-F574 HydrophobicContact CG-CE1 4.47Å; Y487-F574 HydrophobicContact CG-CZ 4.41Å; Y487-F574 AromaticContact CZ-CZ 3.88Å
488Q95.2Very high94.3Very high51 Ų5130.2 Ų30.224%0.23816%0.161CC..Hα-helixtrans-60.6-45.9176.1-172.1-179.8-78.700111.4Y454 V484 E485 A491 A492 Y533Y454-Q488 HydrophobicContact CD1-CG 4.33Å; Y454-Q488 HydrophobicContact CD2-CG 4.15Å; Y454-Q488 HydrophobicContact CG-CG 3.72Å; V484-Q488 WeakPolarHBondContact O-CB 3.46Å; V484-Q488 PolarHBondContact O-N 3.16Å; E485-Q488 WeakPolarHBondContact O-CB 3.42Å; E485-Q488 PolarHBondContact O-N 3.22Å; Q488-A491 PolarHBondContact O-N 3.23Å; Q488-A492 PolarHBondContact O-N 3.44Å; Q488-Y533 HydrophobicContact CB-CD2 3.72Å; Q488-Y533 HydrophobicContact CB-CE2 3.53Å; Q488-Y533 HydrophobicContact CG-CD2 4.3Å; Q488-Y533 HydrophobicContact CG-CE2 3.78Å; Q488-Y533 PolarHBondContact OE1-OH 3.28Å
489Q93.1Very high94.8Very high71 Ų7126.7 Ų26.733%0.33214%0.142SC..Hα-helixtrans-68-36178.4-64.1-59.8-31.100112E485 V486 A492 T493 L579E485-Q489 VanDerWaalsContact O-CG 3.31Å; E485-Q489 WeakPolarHBondContact O-CG 3.34Å; E485-Q489 PolarHBondContact O-N 2.93Å; V486-Q489 PolarHBondContact O-N 3.48Å; Q489-A492 PolarHBondContact O-N 3.39Å; Q489-T493 WeakPolarHBondContact O-CB 3.43Å; Q489-T493 PolarHBondContact O-N 3.38Å; Q489-T493 PolarHBondContact O-OG1 3.09Å; Q489-T493 VanDerWaalsContact O-OG1 3.09Å; Q489-L579 HydrophobicContact CB-CD1 3.87Å; Q489-L579 HydrophobicContact CB-CD2 3.55Å; Q489-L579 HydrophobicContact CB-CG 4.38Å; Q489-L579 HydrophobicContact CG-CD2 4.3Å
490R95.4Very high95Very high2 Ų228.1 Ų28.11%0.00815%0.146CC..Hα-helixtrans-58.5-50.4171.6171.3-179.6169.5-120.80.1110.4V486 Y487 A492 T493 L494 D528 A529 D573 F574 L579V486-R490 PolarHBondContact O-N 3.04Å; Y487-R490 PolarHBondContact O-N 3.23Å; R490-A492 VanDerWaalsContact C-N 3.34Å; R490-A492 PolarHBondContact O-N 3.07Å; R490-T493 PolarHBondContact O-N 2.76Å; R490-L494 HydrophobicContact CG-CD1 3.85Å; R490-L494 WeakPolarHBondContact O-CG 3.39Å; R490-L494 PolarHBondContact O-N 2.77Å; R490-D528 IonicContact NH2-OD2 3.21Å; R490-A529 HydrophobicContact CG-CB 4.41Å; R490-D573 HydrophobicContact CG-CB 4.14Å; R490-D573 IonicContact CZ-OD2 3.93Å; R490-D573 IonicContact NE-OD2 2.83Å; R490-D573 PolarHBondContact NE-OD2 3.31Å; R490-D573 IonicContact NH2-OD2 3.9Å; R490-D573 PolarHBondContact NH2-OD2 3.36Å; R490-F574 HydrophobicContact CB-CD1 4.08Å; R490-F574 HydrophobicContact CB-CE1 3.82Å; R490-F574 HydrophobicContact CB-CZ 4.44Å; R490-F574 VanDerWaalsContact CD-CE1 3.45Å; R490-F574 VanDerWaalsContact CD-CE2 3.46Å; R490-F574 HydrophobicContact CG-CD1 4.48Å; R490-F574 HydrophobicContact CG-CE1 4.21Å; R490-F574 HydrophobicContact CG-CZ 4.39Å; R490-L579 HydrophobicContact CB-CD1 3.94Å; R490-L579 VanDerWaalsContact N-CD1 3.33Å
491A97.1Very high95.2Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-59.7-44.5178.900000111.7Y454 Y487 Q488 L494 V495Y454-A491 HydrophobicContact CE2-CB 4.2Å; Y487-A491 PolarHBondContact O-N 2.97Å; Q488-A491 PolarHBondContact O-N 3.23Å; A491-L494 PolarHBondContact O-N 2.84Å; A491-V495 VanDerWaalsContact O-CG2 3.28Å; A491-V495 WeakPolarHBondContact O-CG2 3.39Å; A491-V495 PolarHBondContact O-N 2.91Å
492A95.3Very high95.4Very high12 Ų1225.8 Ų25.810%0.09913%0.131CC..Hα-helixtrans-59.2-48176.900000112.6Y454 L455 Q488 Q489 R490 L494 V495 E496Y454-A492 HydrophobicContact CD2-CB 3.87Å; Y454-A492 HydrophobicContact CE2-CB 3.96Å; L455-A492 HydrophobicContact CD2-CB 4.45Å; Q488-A492 PolarHBondContact O-N 3.44Å; Q489-A492 PolarHBondContact O-N 3.39Å; R490-A492 VanDerWaalsContact C-N 3.34Å; R490-A492 PolarHBondContact O-N 3.07Å; A492-L494 PolarHBondContact O-N 3.41Å; A492-V495 PolarHBondContact O-N 3.4Å; A492-E496 WeakPolarHBondContact O-CB 3.28Å; A492-E496 PolarHBondContact O-N 2.91Å
493T94.5Very high95.6Very high23 Ų2329.4 Ų29.414%0.14115%0.145CC..Hα-helixtrans-63.8-41.4-179.7-64.20000111.8R461 Q489 R490 E496 M497 A577R461-T493 PolarHBondContact NH1-OG1 3.22Å; R461-T493 VanDerWaalsContact NH1-OG1 3.16Å; R461-T493 PolarHBondContact NH2-OG1 3.29Å; Q489-T493 WeakPolarHBondContact O-CB 3.43Å; Q489-T493 PolarHBondContact O-N 3.38Å; Q489-T493 PolarHBondContact O-OG1 3.09Å; Q489-T493 VanDerWaalsContact O-OG1 3.09Å; R490-T493 PolarHBondContact O-N 2.76Å; T493-E496 PolarHBondContact O-N 2.88Å; T493-M497 HydrophobicContact CG2-SD 4.11Å; T493-M497 VanDerWaalsContact O-CG 3.29Å; T493-M497 WeakPolarHBondContact O-CG 3.2Å; T493-M497 PolarHBondContact O-N 3.47Å; T493-A577 HydrophobicContact CG2-CB 3.97Å
494L96.8Very high95.8Very high7 Ų734.3 Ų34.34%0.03717%0.168CC..Hα-helixtrans-71.6-35.2179.5-67.8173.8000112.9R490 A491 A492 M497 A498 R525 A526 A529 D573R490-L494 HydrophobicContact CG-CD1 3.85Å; R490-L494 WeakPolarHBondContact O-CG 3.39Å; R490-L494 PolarHBondContact O-N 2.77Å; A491-L494 PolarHBondContact O-N 2.84Å; A492-L494 PolarHBondContact O-N 3.41Å; L494-M497 HydrophobicContact CD2-SD 3.99Å; L494-M497 PolarHBondContact O-N 3.14Å; L494-A498 WeakPolarHBondContact O-CB 3.14Å; L494-A498 PolarHBondContact O-N 3.16Å; L494-R525 HydrophobicContact CD1-CG 4.27Å; L494-R525 HydrophobicContact CD2-CG 4.46Å; L494-R525 VanDerWaalsContact CD2-CZ 3.46Å; L494-A526 HydrophobicContact CB-CB 4.37Å; L494-A529 HydrophobicContact CB-CB 4.45Å; L494-A529 HydrophobicContact CD1-CB 3.42Å; L494-A529 VanDerWaalsContact CD1-CB 3.42Å; L494-D573 HydrophobicContact CD1-CB 4.29Å
495V97.6Very high95.9Very high1 Ų134.7 Ų34.71%0.00617%0.169CC..Hα-helixtrans-62.7-43.9171.1170.70000111.1L435 Y439 L455 A491 A492 A498 A499 A526L435-V495 HydrophobicContact CB-CG1 4.23Å; L435-V495 HydrophobicContact CB-CG2 4.08Å; L435-V495 HydrophobicContact CD1-CG2 3.97Å; L435-V495 HydrophobicContact CG-CG2 4.41Å; Y439-V495 HydrophobicContact CD2-CG1 4.32Å; Y439-V495 HydrophobicContact CG-CG1 4.25Å; L455-V495 HydrophobicContact CD1-CG1 4.32Å; L455-V495 HydrophobicContact CD2-CB 4.18Å; L455-V495 HydrophobicContact CD2-CG1 4Å; A491-V495 VanDerWaalsContact O-CG2 3.28Å; A491-V495 WeakPolarHBondContact O-CG2 3.39Å; A491-V495 PolarHBondContact O-N 2.91Å; A492-V495 PolarHBondContact O-N 3.4Å; V495-A498 PolarHBondContact O-N 2.98Å; V495-A499 WeakPolarHBondContact O-CB 3.43Å; V495-A499 PolarHBondContact O-N 2.89Å; V495-A526 HydrophobicContact CG2-CB 4.06Å
496E95.7Very high96.1Very high36 Ų3631.9 Ų31.917%0.16816%0.157CC..Hα-helixtrans-60.9-44.7175.1170.3174.6-174.600111.8Y439 R461 A492 T493 A498 A499 K500Y439-E496 HydrophobicContact CE2-CB 3.81Å; Y439-E496 HydrophobicContact CE2-CG 4.18Å; R461-E496 IonicContact NH1-OE2 2.68Å; R461-E496 PolarHBondContact NH1-OE2 3.33Å; A492-E496 WeakPolarHBondContact O-CB 3.28Å; A492-E496 PolarHBondContact O-N 2.91Å; T493-E496 PolarHBondContact O-N 2.88Å; E496-A498 PolarHBondContact O-N 3.47Å; E496-A499 PolarHBondContact O-N 2.89Å; E496-K500 HydrophobicContact CG-CD 4.06Å; E496-K500 WeakPolarHBondContact O-CB 3.23Å; E496-K500 WeakPolarHBondContact O-CG 3.18Å; E496-K500 PolarHBondContact O-N 3.21Å; E496-K500 WeakPolarHBondContact OE1-CE 3.15Å; E496-K500 IonicContact OE1-NZ 2.7Å; E496-K500 PolarHBondContact OE1-NZ 3.05Å
497M95.5Very high96.3Very high54 Ų5437.9 Ų37.927%0.26619%0.185SC..Hα-helixtrans-60.8-44.9176.5-74.2173.362.600111.8T493 L494 A499 K500 S501T493-M497 HydrophobicContact CG2-SD 4.11Å; T493-M497 VanDerWaalsContact O-CG 3.29Å; T493-M497 WeakPolarHBondContact O-CG 3.2Å; T493-M497 PolarHBondContact O-N 3.47Å; L494-M497 HydrophobicContact CD2-SD 3.99Å; L494-M497 PolarHBondContact O-N 3.14Å; M497-A499 PolarHBondContact O-N 3.25Å; M497-K500 PolarHBondContact O-N 3.07Å; M497-S501 WeakPolarHBondContact O-CB 3.25Å; M497-S501 PolarHBondContact O-N 3.36Å
498A97.5Very high96.4Very high1 Ų145.8 Ų45.81%0.00822%0.215CC..Hα-helixtrans-63.5-40.8177.100000112.1L494 V495 E496 S501 I502 D522 L523 A526L494-A498 WeakPolarHBondContact O-CB 3.14Å; L494-A498 PolarHBondContact O-N 3.16Å; V495-A498 PolarHBondContact O-N 2.98Å; E496-A498 PolarHBondContact O-N 3.47Å; A498-S501 WeakPolarHBondContact O-CB 3.36Å; A498-S501 PolarHBondContact O-N 3.33Å; A498-I502 PolarHBondContact O-N 3.32Å; A498-I502 VanDerWaalsContact O-N 3.15Å; A498-D522 HydrophobicContact CB-CB 4Å; A498-L523 HydrophobicContact CB-CD2 3.96Å; A498-L523 HydrophobicContact CB-CG 4.37Å; A498-A526 HydrophobicContact CB-CB 4.02Å
499A96.8Very high96.4Very high6 Ų654.9 Ų54.95%0.0525%0.247CC..Hα-helixtrans-64.2-41175.800000112.3Y439 V495 E496 M497 I502 Q503Y439-A499 HydrophobicContact CD1-CB 3.46Å; Y439-A499 VanDerWaalsContact CD1-CB 3.46Å; Y439-A499 HydrophobicContact CE1-CB 3.59Å; Y439-A499 HydrophobicContact CG-CB 4.31Å; V495-A499 WeakPolarHBondContact O-CB 3.43Å; V495-A499 PolarHBondContact O-N 2.89Å; E496-A499 PolarHBondContact O-N 2.89Å; M497-A499 PolarHBondContact O-N 3.25Å; A499-I502 PolarHBondContact O-N 2.86Å; A499-Q503 PolarHBondContact O-N 2.96Å; A499-Q503 VanDerWaalsContact O-N 3.12Å
500K95.6Very high96.6Very high90 Ų9056.3 Ų56.339%0.39125%0.252SS..Hα-helixtrans-66.5-39.1174.6-76.7174.1171171.80112.4E496 M497 I502 Q503 Q504E496-K500 HydrophobicContact CG-CD 4.06Å; E496-K500 WeakPolarHBondContact O-CB 3.23Å; E496-K500 WeakPolarHBondContact O-CG 3.18Å; E496-K500 PolarHBondContact O-N 3.21Å; E496-K500 WeakPolarHBondContact OE1-CE 3.15Å; E496-K500 IonicContact OE1-NZ 2.7Å; E496-K500 PolarHBondContact OE1-NZ 3.05Å; M497-K500 PolarHBondContact O-N 3.07Å; K500-I502 VanDerWaalsContact C-N 3.33Å; K500-I502 PolarHBondContact O-N 3.19Å; K500-Q503 WeakPolarHBondContact O-CB 3.34Å; K500-Q503 PolarHBondContact O-N 3.4Å; K500-Q503 VanDerWaalsContact O-N 3.11Å; K500-Q504 WeakPolarHBondContact O-CG 3.32Å; K500-Q504 PolarHBondContact O-N 3.05Å
501S97.4Very high96.7Very high18 Ų1858.3 Ų58.313%0.12627%0.267CS..Hα-helixtrans-55.9-48174.4-173.90000110.5M497 A498 Q503 Q504 E505 S519 D522M497-S501 WeakPolarHBondContact O-CB 3.25Å; M497-S501 PolarHBondContact O-N 3.36Å; A498-S501 WeakPolarHBondContact O-CB 3.36Å; A498-S501 PolarHBondContact O-N 3.33Å; S501-Q503 VanDerWaalsContact C-N 3.33Å; S501-Q503 PolarHBondContact O-N 3.22Å; S501-Q504 PolarHBondContact O-N 2.86Å; S501-E505 PolarHBondContact O-N 3.34Å; S501-S519 WeakPolarHBondContact CB-OG 3.49Å; S501-S519 PolarHBondContact O-OG 3.46Å; S501-S519 WeakPolarHBondContact OG-CB 3.13Å; S501-S519 PolarHBondContact OG-OG 2.89Å; S501-D522 VanDerWaalsContact CB-OD2 3.26Å; S501-D522 WeakPolarHBondContact CB-OD2 3.34Å; S501-D522 PolarHBondContact OG-OD2 3.05Å
502I97.6Very high96.7Very high0 Ų062.3 Ų62.30%029%0.285CS..Hα-helixtrans-60.1-44.6174.8-65.5165.8000111V436 A498 A499 K500 Q504 E505 L506 A515 W516 S519 L523V436-I502 HydrophobicContact CG1-CD1 4.13Å; V436-I502 HydrophobicContact CG2-CD1 4.15Å; A498-I502 PolarHBondContact O-N 3.32Å; A498-I502 VanDerWaalsContact O-N 3.15Å; A499-I502 PolarHBondContact O-N 2.86Å; K500-I502 VanDerWaalsContact C-N 3.33Å; K500-I502 PolarHBondContact O-N 3.19Å; I502-Q504 VanDerWaalsContact C-N 3.32Å; I502-Q504 PolarHBondContact O-N 2.94Å; I502-E505 PolarHBondContact O-N 2.88Å; I502-L506 HydrophobicContact CG2-CD1 3.97Å; I502-L506 HydrophobicContact CG2-CG 4.37Å; I502-L506 WeakPolarHBondContact O-CG 3.45Å; I502-L506 PolarHBondContact O-N 2.87Å; I502-A515 HydrophobicContact CG2-CB 4.32Å; I502-W516 HydrophobicContact CD1-CE3 3.87Å; I502-W516 HydrophobicContact CD1-CZ3 3.9Å; I502-S519 WeakPolarHBondContact CA-OG 3.22Å; I502-S519 PolarHBondContact N-OG 3.04Å; I502-S519 VanDerWaalsContact N-OG 3.13Å; I502-L523 HydrophobicContact CD1-CD1 4.21Å; I502-L523 HydrophobicContact CD1-CD2 3.89Å; I502-L523 HydrophobicContact CD1-CG 4.47Å
503Q96.3Very high96.7Very high100 Ų10068.3 Ų68.347%0.46731%0.311SS..Hα-helixtrans-63-38.8-179-171.6-179.18.900112.2A499 K500 S501 L506 Q507A499-Q503 PolarHBondContact O-N 2.96Å; A499-Q503 VanDerWaalsContact O-N 3.12Å; K500-Q503 WeakPolarHBondContact O-CB 3.34Å; K500-Q503 PolarHBondContact O-N 3.4Å; K500-Q503 VanDerWaalsContact O-N 3.11Å; S501-Q503 VanDerWaalsContact C-N 3.33Å; S501-Q503 PolarHBondContact O-N 3.22Å; Q503-L506 PolarHBondContact O-N 2.75Å; Q503-Q507 VanDerWaalsContact O-CG 3.3Å; Q503-Q507 WeakPolarHBondContact O-CG 3.19Å; Q503-Q507 PolarHBondContact O-N 3.45Å
504Q97.5Very high96.9Very high103 Ų10371 Ų7148%0.48132%0.324SS..Hα-helixtrans-63.9-42.6176.9-72.6173.14.600111.7K500 S501 I502 Q507 R508K500-Q504 WeakPolarHBondContact O-CG 3.32Å; K500-Q504 PolarHBondContact O-N 3.05Å; S501-Q504 PolarHBondContact O-N 2.86Å; I502-Q504 VanDerWaalsContact C-N 3.32Å; I502-Q504 PolarHBondContact O-N 2.94Å; Q504-Q507 WeakPolarHBondContact O-CB 3.26Å; Q504-Q507 PolarHBondContact O-N 2.82Å; Q504-R508 WeakPolarHBondContact O-CG 3.23Å; Q504-R508 PolarHBondContact O-N 3.26Å
505E98Very high96.9Very high22 Ų2270.6 Ų70.610%0.10332%0.323CS..Hα-helixtrans-65.2-39.5176-70.3-62118.800112.1S501 I502 Q507 R508 K510 A515 N518S501-E505 PolarHBondContact O-N 3.34Å; I502-E505 PolarHBondContact O-N 2.88Å; E505-Q507 VanDerWaalsContact C-N 3.34Å; E505-Q507 PolarHBondContact O-N 2.81Å; E505-R508 CarbonylContact O-C 3.3Å; E505-R508 WeakPolarHBondContact O-CA 3.25Å; E505-R508 WeakPolarHBondContact O-CB 3.45Å; E505-R508 PolarHBondContact O-N 3Å; E505-R508 VanDerWaalsContact O-N 3.12Å; E505-R508 IonicContact OE1-CZ 3.45Å; E505-R508 IonicContact OE1-NH1 2.94Å; E505-R508 PolarHBondContact OE1-NH1 3.22Å; E505-K510 WeakPolarHBondContact O-CB 3.23Å; E505-K510 WeakPolarHBondContact O-CG 3.5Å; E505-K510 PolarHBondContact O-N 3.19Å; E505-A515 HydrophobicContact CB-CB 3.63Å; E505-N518 HydrophobicContact CG-CB 3.9Å; E505-N518 PolarHBondContact OE2-ND2 3.09Å
506L96.6Very high96.9Very high62 Ų6272.7 Ų72.733%0.32533%0.33SS..Hα-helixtrans-63-39.5172.8-69.3172.7000112I502 Q503 R508 R509 A515I502-L506 HydrophobicContact CG2-CD1 3.97Å; I502-L506 HydrophobicContact CG2-CG 4.37Å; I502-L506 WeakPolarHBondContact O-CG 3.45Å; I502-L506 PolarHBondContact O-N 2.87Å; Q503-L506 PolarHBondContact O-N 2.75Å; L506-R508 PolarHBondContact O-N 3.3Å; L506-R509 WeakPolarHBondContact O-CA 3.31Å; L506-R509 PolarHBondContact O-N 3.05Å; L506-A515 HydrophobicContact CD2-CB 3.86Å; L506-A515 HydrophobicContact CG-CB 3.9Å
507Q97.3Very high97.1Very high136 Ų13676.2 Ų76.264%0.63635%0.35SS*.Hα-helixtrans-64.1-28.8174.1-74.2171.4-2.200112.4Q503 Q504 E505 R509Q503-Q507 VanDerWaalsContact O-CG 3.3Å; Q503-Q507 WeakPolarHBondContact O-CG 3.19Å; Q503-Q507 PolarHBondContact O-N 3.45Å; Q504-Q507 WeakPolarHBondContact O-CB 3.26Å; Q504-Q507 PolarHBondContact O-N 2.82Å; E505-Q507 VanDerWaalsContact C-N 3.34Å; E505-Q507 PolarHBondContact O-N 2.81Å; Q507-R509 PolarHBondContact O-N 3.44Å
508R96.9Very high97.2Very high167 Ų16777.4 Ų77.463%0.6336%0.358SS*.THydrogen-bonded Turntrans-77.212.8170.1-66.8171.2175.8171.8-3113.4Q504 E505 L506 K510Q504-R508 WeakPolarHBondContact O-CG 3.23Å; Q504-R508 PolarHBondContact O-N 3.26Å; E505-R508 CarbonylContact O-C 3.3Å; E505-R508 WeakPolarHBondContact O-CA 3.25Å; E505-R508 WeakPolarHBondContact O-CB 3.45Å; E505-R508 PolarHBondContact O-N 3Å; E505-R508 VanDerWaalsContact O-N 3.12Å; E505-R508 IonicContact OE1-CZ 3.45Å; E505-R508 IonicContact OE1-NH1 2.94Å; E505-R508 PolarHBondContact OE1-NH1 3.22Å; L506-R508 PolarHBondContact O-N 3.3Å; R508-K510 PolarHBondContact O-N 3.33Å
509R95.4Very high97.2Very high241 Ų24177.3 Ų77.391%0.90936%0.357SS*.THydrogen-bonded Turntrans60.427.5179.2-53.6-177.3178.5-172.6-0.9113.9L506 Q507L506-R509 WeakPolarHBondContact O-CA 3.31Å; L506-R509 PolarHBondContact O-N 3.05Å; Q507-R509 PolarHBondContact O-N 3.44Å
510K97.6Very high97.3Very high101 Ų10178 Ų7844%0.43936%0.362SS..  trans-74153.5168.8-61.7-60.7-173.5175.40110.4E505 R508 D514E505-K510 WeakPolarHBondContact O-CB 3.23Å; E505-K510 WeakPolarHBondContact O-CG 3.5Å; E505-K510 PolarHBondContact O-N 3.19Å; R508-K510 PolarHBondContact O-N 3.33Å; K510-D514 HydrophobicContact CB-CB 4.12Å
511S97.8Very high97.4Very high45 Ų4580.5 Ų80.532%0.31538%0.379SS..  trans-63.4165171.869.10000110.8E513 D514 A515S511-E513 PolarHBondContact O-N 3.05Å; S511-D514 PolarHBondContact O-N 2.95Å; S511-D514 VanDerWaalsContact OG-CB 3.3Å; S511-D514 WeakPolarHBondContact OG-CB 3.28Å; S511-D514 PolarHBondContact OG-N 3.05Å; S511-D514 PolarHBondContact OG-OD2 2.85Å; S511-A515 VanDerWaalsContact O-CB 3.25Å; S511-A515 WeakPolarHBondContact O-CB 3.44Å; S511-A515 PolarHBondContact O-N 2.63Å
512Q96Very high97.4Very high83 Ų8382 Ų8239%0.38839%0.385SS..Hα-helixtrans-65-33.9178.5-178.656.875.600111.5W516Q512-W516 WeakPolarHBondContact O-CB 3.42Å; Q512-W516 PolarHBondContact O-N 2.91Å
513E96.9Very high97.5Very high138 Ų13882 Ų8265%0.64539%0.385SS*.Hα-helixtrans-68.5-49.1176.7-64.572.1-161.400110.9S511 W516 N517S511-E513 PolarHBondContact O-N 3.05Å; E513-W516 WeakPolarHBondContact O-CB 3.35Å; E513-W516 PolarHBondContact O-N 3.23Å; E513-N517 WeakPolarHBondContact O-CB 3.42Å; E513-N517 PolarHBondContact O-N 3.45Å
514D97.9Very high97.6Very high79 Ų7978.7 Ų78.742%0.42237%0.372SS..Hα-helixtrans-65.7-41.8177.9-66.2-38000111.2K510 S511 W516 N517 N518K510-D514 HydrophobicContact CB-CB 4.12Å; S511-D514 PolarHBondContact O-N 2.95Å; S511-D514 VanDerWaalsContact OG-CB 3.3Å; S511-D514 WeakPolarHBondContact OG-CB 3.28Å; S511-D514 PolarHBondContact OG-N 3.05Å; S511-D514 PolarHBondContact OG-OD2 2.85Å; D514-W516 VanDerWaalsContact C-N 3.31Å; D514-W516 PolarHBondContact O-N 3.45Å; D514-N517 PolarHBondContact O-N 3.41Å; D514-N518 VanDerWaalsContact O-CB 3.28Å; D514-N518 WeakPolarHBondContact O-CB 3.29Å; D514-N518 PolarHBondContact O-N 2.83Å; D514-N518 PolarHBondContact O-OD1 3.22Å
515A97.9Very high97.6Very high0 Ų077 Ų770%036%0.361CS..Hα-helixtrans-61.7-40.4176.300000111.6I502 E505 L506 S511 S519I502-A515 HydrophobicContact CG2-CB 4.32Å; E505-A515 HydrophobicContact CB-CB 3.63Å; L506-A515 HydrophobicContact CD2-CB 3.86Å; L506-A515 HydrophobicContact CG-CB 3.9Å; S511-A515 VanDerWaalsContact O-CB 3.25Å; S511-A515 WeakPolarHBondContact O-CB 3.44Å; S511-A515 PolarHBondContact O-N 2.63Å; A515-S519 WeakPolarHBondContact O-CB 3.3Å; A515-S519 PolarHBondContact O-N 3.26Å; A515-S519 VanDerWaalsContact O-N 3.17Å; A515-S519 PolarHBondContact O-OG 3.15Å
516W97.6Very high97.6Very high44 Ų4476 Ų7617%0.16736%0.357CS..Hα-helixtrans-62.8-46.1174-178.1-86.9000111.7L429 A432 R433 I502 Q512 E513 D514 S519 A520 L523L429-W516 HydrophobicContact CD2-CZ2 4.36Å; A432-W516 HydrophobicContact CB-CH2 4.06Å; A432-W516 HydrophobicContact CB-CZ2 4.26Å; R433-W516 HydrophobicContact CB-CH2 3.96Å; R433-W516 HydrophobicContact CB-CZ2 4.4Å; R433-W516 HydrophobicContact CG-CH2 3.22Å; R433-W516 HydrophobicContact CG-CZ2 3.31Å; R433-W516 HydrophobicContact CG-CZ3 3.93Å; I502-W516 HydrophobicContact CD1-CE3 3.87Å; I502-W516 HydrophobicContact CD1-CZ3 3.9Å; Q512-W516 WeakPolarHBondContact O-CB 3.42Å; Q512-W516 PolarHBondContact O-N 2.91Å; E513-W516 WeakPolarHBondContact O-CB 3.35Å; E513-W516 PolarHBondContact O-N 3.23Å; D514-W516 VanDerWaalsContact C-N 3.31Å; D514-W516 PolarHBondContact O-N 3.45Å; W516-S519 CarbonylContact O-C 3.49Å; W516-S519 PolarHBondContact O-N 3.42Å; W516-A520 PolarHBondContact O-N 3.28Å; W516-A520 VanDerWaalsContact O-N 3.12Å; W516-L523 HydrophobicContact CD2-CD1 3.7Å; W516-L523 HydrophobicContact CE3-CD1 3.82Å; W516-L523 HydrophobicContact CG-CD1 4.31Å; W516-L523 HydrophobicContact CH2-CD1 3.71Å; W516-L523 HydrophobicContact CH2-CD2 3.77Å; W516-L523 HydrophobicContact CH2-CG 4.3Å; W516-L523 HydrophobicContact CZ2-CD1 3.63Å; W516-L523 HydrophobicContact CZ2-CD2 4.41Å; W516-L523 HydrophobicContact CZ2-CG 4.49Å; W516-L523 HydrophobicContact CZ3-CD1 3.83Å; W516-L523 HydrophobicContact CZ3-CD2 3.94Å
517N98Very high97.7Very high110 Ų11073.1 Ų73.159%0.58834%0.342SS*.Hα-helixtrans-65-45.2-180-175.466.3000112.2E513 D514 S519 A520E513-N517 WeakPolarHBondContact O-CB 3.42Å; E513-N517 PolarHBondContact O-N 3.45Å; D514-N517 PolarHBondContact O-N 3.41Å; N517-S519 PolarHBondContact O-N 2.93Å; N517-A520 WeakPolarHBondContact O-CB 3.16Å; N517-A520 PolarHBondContact O-N 3.32Å
518N98.1Very high97.8Very high79 Ų7968.2 Ų68.242%0.42232%0.32SS..Hα-helixtrans-65-26.7179.6-68.1-5.8000112.3E505 D514E505-N518 HydrophobicContact CG-CB 3.9Å; E505-N518 PolarHBondContact OE2-ND2 3.09Å; D514-N518 VanDerWaalsContact O-CB 3.28Å; D514-N518 WeakPolarHBondContact O-CB 3.29Å; D514-N518 PolarHBondContact O-N 2.83Å; D514-N518 PolarHBondContact O-OD1 3.22Å
519S98.3Very high97.9Very high0 Ų060.2 Ų60.20%029%0.29CS..THydrogen-bonded Turntrans-965.3174.7-59.40000114S501 I502 A515 W516 N517 I521 D522 L523S501-S519 WeakPolarHBondContact CB-OG 3.49Å; S501-S519 PolarHBondContact O-OG 3.46Å; S501-S519 WeakPolarHBondContact OG-CB 3.13Å; S501-S519 PolarHBondContact OG-OG 2.89Å; I502-S519 WeakPolarHBondContact CA-OG 3.22Å; I502-S519 PolarHBondContact N-OG 3.04Å; I502-S519 VanDerWaalsContact N-OG 3.13Å; A515-S519 WeakPolarHBondContact O-CB 3.3Å; A515-S519 PolarHBondContact O-N 3.26Å; A515-S519 VanDerWaalsContact O-N 3.17Å; A515-S519 PolarHBondContact O-OG 3.15Å; W516-S519 CarbonylContact O-C 3.49Å; W516-S519 PolarHBondContact O-N 3.42Å; N517-S519 PolarHBondContact O-N 2.93Å; S519-I521 PolarHBondContact O-N 2.99Å; S519-D522 PolarHBondContact O-N 3.43Å; S519-D522 VanDerWaalsContact O-N 3.12Å; S519-L523 VanDerWaalsContact O-CG 3.28Å; S519-L523 WeakPolarHBondContact O-CG 3.47Å; S519-L523 PolarHBondContact O-N 3.39Å
520A97.8Very high98Very high19 Ų1948.9 Ų48.916%0.15725%0.247CC..Hα-helixtrans-58.4-34-172.200000113.5L429 W516 N517 L523 V524L429-A520 HydrophobicContact CD2-CB 4.06Å; W516-A520 PolarHBondContact O-N 3.28Å; W516-A520 VanDerWaalsContact O-N 3.12Å; N517-A520 WeakPolarHBondContact O-CB 3.16Å; N517-A520 PolarHBondContact O-N 3.32Å; A520-L523 WeakPolarHBondContact O-CB 3.48Å; A520-L523 PolarHBondContact O-N 3.01Å; A520-V524 WeakPolarHBondContact O-CG2 3.44Å; A520-V524 PolarHBondContact O-N 2.76Å
521I98.1Very high98.1Very high144 Ų14444.1 Ų44.174%0.73823%0.226SC*.Hα-helixtrans-64.7-47.7177.9-61.1173.7000110.6S519 L523 V524 R525S519-I521 PolarHBondContact O-N 2.99Å; I521-L523 VanDerWaalsContact C-N 3.28Å; I521-L523 PolarHBondContact O-N 3.16Å; I521-V524 PolarHBondContact O-N 3.49Å; I521-R525 PolarHBondContact O-N 3.5Å
522D98.2Very high98.1Very high48 Ų4842.5 Ų42.526%0.25721%0.214SC..Hα-helixtrans-63.9-36.7176.9-64.1-40.2000111.3A498 S501 S519 R525 A526A498-D522 HydrophobicContact CB-CB 4Å; S501-D522 VanDerWaalsContact CB-OD2 3.26Å; S501-D522 WeakPolarHBondContact CB-OD2 3.34Å; S501-D522 PolarHBondContact OG-OD2 3.05Å; S519-D522 PolarHBondContact O-N 3.43Å; S519-D522 VanDerWaalsContact O-N 3.12Å; D522-R525 PolarHBondContact O-N 3.42Å; D522-A526 WeakPolarHBondContact O-CB 3.44Å; D522-A526 PolarHBondContact O-N 3.1Å
523L98.6Very high98.3Very high1 Ų138.8 Ų38.81%0.00520%0.196CC..Hα-helixtrans-65.3-42.2178.5-72.2166.2000112.7L429 A432 V436 A498 I502 W516 S519 A520 I521 S527L429-L523 HydrophobicContact CD2-CB 4.01Å; A432-L523 HydrophobicContact CB-CB 3.7Å; A432-L523 HydrophobicContact CB-CD2 3.87Å; A432-L523 HydrophobicContact CB-CG 4.36Å; A432-L523 WeakPolarHBondContact CB-O 3.43Å; V436-L523 HydrophobicContact CG2-CD2 3.52Å; A498-L523 HydrophobicContact CB-CD2 3.96Å; A498-L523 HydrophobicContact CB-CG 4.37Å; I502-L523 HydrophobicContact CD1-CD1 4.21Å; I502-L523 HydrophobicContact CD1-CD2 3.89Å; I502-L523 HydrophobicContact CD1-CG 4.47Å; W516-L523 HydrophobicContact CD2-CD1 3.7Å; W516-L523 HydrophobicContact CE3-CD1 3.82Å; W516-L523 HydrophobicContact CG-CD1 4.31Å; W516-L523 HydrophobicContact CH2-CD1 3.71Å; W516-L523 HydrophobicContact CH2-CD2 3.77Å; W516-L523 HydrophobicContact CH2-CG 4.3Å; W516-L523 HydrophobicContact CZ2-CD1 3.63Å; W516-L523 HydrophobicContact CZ2-CD2 4.41Å; W516-L523 HydrophobicContact CZ2-CG 4.49Å; W516-L523 HydrophobicContact CZ3-CD1 3.83Å; W516-L523 HydrophobicContact CZ3-CD2 3.94Å; S519-L523 VanDerWaalsContact O-CG 3.28Å; S519-L523 WeakPolarHBondContact O-CG 3.47Å; S519-L523 PolarHBondContact O-N 3.39Å; A520-L523 WeakPolarHBondContact O-CB 3.48Å; A520-L523 PolarHBondContact O-N 3.01Å; I521-L523 VanDerWaalsContact C-N 3.28Å; I521-L523 PolarHBondContact O-N 3.16Å; L523-S527 PolarHBondContact O-N 3.43Å; L523-S527 VanDerWaalsContact O-N 3.12Å; L523-S527 PolarHBondContact O-OG 3.4Å
524V98.7Very high98.3Very high30 Ų3032.2 Ų32.218%0.18217%0.165CC..Hα-helixtrans-66.1-46174.4172.10000110.2T425 M428 L429 A520 I521 A526 S527 D528T425-V524 HydrophobicContact CG2-CG2 4.19Å; M428-V524 HydrophobicContact CB-CB 4.41Å; M428-V524 HydrophobicContact CB-CG1 4.02Å; M428-V524 HydrophobicContact CB-CG2 4.12Å; M428-V524 HydrophobicContact CG-CG1 4.25Å; L429-V524 HydrophobicContact CD2-CG2 3.88Å; L429-V524 HydrophobicContact CG-CG2 3.99Å; A520-V524 WeakPolarHBondContact O-CG2 3.44Å; A520-V524 PolarHBondContact O-N 2.76Å; I521-V524 PolarHBondContact O-N 3.49Å; V524-A526 VanDerWaalsContact C-N 3.31Å; V524-A526 PolarHBondContact O-N 3.19Å; V524-S527 PolarHBondContact O-N 3.18Å; V524-S527 VanDerWaalsContact O-N 3.09Å; V524-D528 PolarHBondContact O-N 3.38Å
525R98.3Very high98.4Very high68 Ų6828.4 Ų28.426%0.25715%0.145SC..Hα-helixtrans-60-37.7177-178174.1161.5-140.72.3112.6L494 I521 D522 A529 D573L494-R525 HydrophobicContact CD1-CG 4.27Å; L494-R525 HydrophobicContact CD2-CG 4.46Å; L494-R525 VanDerWaalsContact CD2-CZ 3.46Å; I521-R525 PolarHBondContact O-N 3.5Å; D522-R525 PolarHBondContact O-N 3.42Å; R525-A529 WeakPolarHBondContact O-CB 3.29Å; R525-A529 PolarHBondContact O-N 3.22Å; R525-D573 IonicContact CZ-OD1 3.39Å; R525-D573 IonicContact NE-OD1 2.77Å; R525-D573 PolarHBondContact NE-OD1 3.07Å; R525-D573 IonicContact NE-OD2 2.73Å; R525-D573 IonicContact NH2-OD1 3.71Å; R525-D573 PolarHBondContact NH2-OD1 3.44Å
526A98.5Very high98.4Very high2 Ų228.5 Ų28.52%0.01715%0.146CC..Hα-helixtrans-66-38.8174.200000112.7L494 V495 A498 D522 V524 H530L494-A526 HydrophobicContact CB-CB 4.37Å; V495-A526 HydrophobicContact CG2-CB 4.06Å; A498-A526 HydrophobicContact CB-CB 4.02Å; D522-A526 WeakPolarHBondContact O-CB 3.44Å; D522-A526 PolarHBondContact O-N 3.1Å; V524-A526 VanDerWaalsContact C-N 3.31Å; V524-A526 PolarHBondContact O-N 3.19Å; A526-H530 WeakPolarHBondContact O-CB 3.18Å; A526-H530 PolarHBondContact O-N 3.29Å
527S98.7Very high98.4Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-71.1-40.9178.6-570000112.1M428 A432 L523 V524 H530 C531M428-S527 WeakPolarHBondContact O-CB 3.3Å; M428-S527 PolarHBondContact O-OG 3.32Å; A432-S527 VanDerWaalsContact CA-OG 3.26Å; A432-S527 WeakPolarHBondContact CA-OG 3.38Å; A432-S527 VanDerWaalsContact CB-OG 3.27Å; A432-S527 WeakPolarHBondContact CB-OG 3.42Å; A432-S527 PolarHBondContact N-OG 3.19Å; L523-S527 PolarHBondContact O-N 3.43Å; L523-S527 VanDerWaalsContact O-N 3.12Å; L523-S527 PolarHBondContact O-OG 3.4Å; V524-S527 PolarHBondContact O-N 3.18Å; V524-S527 VanDerWaalsContact O-N 3.09Å; S527-H530 PolarHBondContact O-N 2.9Å; S527-C531 PolarHBondContact O-N 2.89Å; S527-C531 PolarHBondContact O-SG 3.38Å
528D98.6Very high98.4Very high33 Ų3324.7 Ų24.718%0.17613%0.126CC..Hα-helixtrans-56.4-52.6171.4176.581.6000111.2F380 R490 V524 H530 C531 H532F380-D528 WeakPolarHBondContact CD2-OD1 3.49Å; F380-D528 WeakPolarHBondContact CE2-OD1 3.43Å; R490-D528 IonicContact NH2-OD2 3.21Å; V524-D528 PolarHBondContact O-N 3.38Å; D528-H530 VanDerWaalsContact C-N 3.3Å; D528-H530 PolarHBondContact O-N 2.98Å; D528-C531 PolarHBondContact O-N 2.85Å; D528-C531 VanDerWaalsContact O-N 3.13Å; D528-H532 WeakPolarHBondContact O-CB 3.44Å; D528-H532 PolarHBondContact O-N 2.89Å
529A98.6Very high98.4Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-61.8-38.1-179.800000112.9R490 L494 R525 Y533R490-A529 HydrophobicContact CG-CB 4.41Å; L494-A529 HydrophobicContact CB-CB 4.45Å; L494-A529 HydrophobicContact CD1-CB 3.42Å; L494-A529 VanDerWaalsContact CD1-CB 3.42Å; R525-A529 WeakPolarHBondContact O-CB 3.29Å; R525-A529 PolarHBondContact O-N 3.22Å; A529-Y533 PolarHBondContact O-N 3.36Å
530H98.7Very high98.4Very high3 Ų321.7 Ų21.71%0.01411%0.11CC..Hα-helixtrans-60.4-51.4172.3175.572.3000111.4L435 Y454 A526 S527 D528 H532 Y533 V534L435-H530 HydrophobicContact CD1-CB 3.73Å; L435-H530 HydrophobicContact CD2-CB 4.32Å; Y454-H530 AromaticContact CE1-CE1 3.86Å; Y454-H530 AromaticContact CE1-ND1 3.56Å; Y454-H530 AromaticContact CZ-ND1 3.62Å; Y454-H530 PolarHBondContact OH-ND1 3.28Å; A526-H530 WeakPolarHBondContact O-CB 3.18Å; A526-H530 PolarHBondContact O-N 3.29Å; S527-H530 PolarHBondContact O-N 2.9Å; D528-H530 VanDerWaalsContact C-N 3.3Å; D528-H530 PolarHBondContact O-N 2.98Å; H530-H532 VanDerWaalsContact C-N 3.34Å; H530-H532 PolarHBondContact O-N 3.45Å; H530-Y533 WeakPolarHBondContact O-CB 3.43Å; H530-Y533 PolarHBondContact O-N 2.92Å; H530-V534 WeakPolarHBondContact O-CG2 3.39Å; H530-V534 PolarHBondContact O-N 3.4Å
531C98.8Very high98.3Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-61.8-42.3-179.7-64.80000111.6G376 L377 F380 S527 D528 Y533 V534 V535G376-C531 WeakPolarHBondContact CA-SG 3.19Å; L377-C531 HydrophobicContact CD2-CB 4.14Å; F380-C531 HydrophobicContact CB-CB 3.77Å; F380-C531 HydrophobicContact CD1-CB 4.45Å; F380-C531 HydrophobicContact CD2-CB 4.02Å; F380-C531 HydrophobicContact CG-CB 3.82Å; S527-C531 PolarHBondContact O-N 2.89Å; S527-C531 PolarHBondContact O-SG 3.38Å; D528-C531 PolarHBondContact O-N 2.85Å; D528-C531 VanDerWaalsContact O-N 3.13Å; C531-Y533 VanDerWaalsContact C-N 3.34Å; C531-Y533 PolarHBondContact O-N 3.1Å; C531-V534 WeakPolarHBondContact O-CB 3.49Å; C531-V534 PolarHBondContact O-N 3.02Å; C531-V534 VanDerWaalsContact O-N 3.1Å; C531-V535 WeakPolarHBondContact O-CG2 3.39Å; C531-V535 PolarHBondContact O-N 2.97Å
532H98.8Very high98.2Very high11 Ų1119.8 Ų19.85%0.05110%0.096CC..Hα-helixtrans-60.8-43.3176.9-159.8159.4000111.4F380 Y487 D528 H530 V534 V535 V536 Y562F380-H532 HydrophobicContact CE2-CB 3.84Å; F380-H532 HydrophobicContact CZ-CB 3.82Å; F380-H532 AromaticContact CZ-CG 3.78Å; Y487-H532 AromaticContact CE1-CD2 3.48Å; Y487-H532 VanDerWaalsContact CE1-CD2 3.48Å; Y487-H532 WeakPolarHBondContact CE1-CD2 3.33Å; Y487-H532 AromaticContact CE1-CE1 3.79Å; Y487-H532 AromaticContact CE1-CG 3.72Å; Y487-H532 AromaticContact CE1-ND1 3.91Å; Y487-H532 AromaticContact CE1-NE2 3.53Å; Y487-H532 AromaticContact CZ-NE2 3.93Å; D528-H532 WeakPolarHBondContact O-CB 3.44Å; D528-H532 PolarHBondContact O-N 2.89Å; H530-H532 VanDerWaalsContact C-N 3.34Å; H530-H532 PolarHBondContact O-N 3.45Å; H532-V534 VanDerWaalsContact C-N 3.34Å; H532-V534 PolarHBondContact O-N 3.02Å; H532-V535 PolarHBondContact O-N 2.92Å; H532-V536 WeakPolarHBondContact O-CG2 3.33Å; H532-V536 PolarHBondContact O-N 3.34Å; H532-V536 VanDerWaalsContact O-N 3.09Å; H532-Y562 AromaticContact NE2-CE1 3.92Å; H532-Y562 AromaticContact NE2-CZ 3.92Å
533Y98.5Very high98.1Very high5 Ų517.8 Ų17.82%0.029%0.085CC..Hα-helixtrans-56.3-46.6171.4152.2-106.3000112.1I451 Y454 V484 Q488 A529 H530 C531 V535 V536 K537I451-Y533 HydrophobicContact CD1-CE1 4.33Å; Y454-Y533 HydrophobicContact CD1-CD1 4.4Å; Y454-Y533 AromaticContact CD1-CE1 3.72Å; Y454-Y533 HydrophobicContact CD1-CE1 3.72Å; Y454-Y533 HydrophobicContact CE1-CD1 4.1Å; Y454-Y533 AromaticContact CE1-CE1 3.78Å; Y454-Y533 HydrophobicContact CE1-CE1 3.78Å; V484-Y533 HydrophobicContact CG1-CE2 4.25Å; Q488-Y533 HydrophobicContact CB-CD2 3.72Å; Q488-Y533 HydrophobicContact CB-CE2 3.53Å; Q488-Y533 HydrophobicContact CG-CD2 4.3Å; Q488-Y533 HydrophobicContact CG-CE2 3.78Å; Q488-Y533 PolarHBondContact OE1-OH 3.28Å; A529-Y533 PolarHBondContact O-N 3.36Å; H530-Y533 WeakPolarHBondContact O-CB 3.43Å; H530-Y533 PolarHBondContact O-N 2.92Å; C531-Y533 VanDerWaalsContact C-N 3.34Å; C531-Y533 PolarHBondContact O-N 3.1Å; Y533-V535 VanDerWaalsContact C-N 3.31Å; Y533-V535 PolarHBondContact O-N 3.35Å; Y533-V536 PolarHBondContact O-N 3.33Å; Y533-K537 HydrophobicContact CD2-CB 4.44Å; Y533-K537 HydrophobicContact CE2-CB 4.08Å; Y533-K537 HydrophobicContact CE2-CD 4.03Å; Y533-K537 WeakPolarHBondContact O-CB 3.19Å; Y533-K537 PolarHBondContact O-N 3.3Å; Y533-K537 WeakPolarHBondContact OH-CD 3.26Å
534V98.5Very high98Very high0 Ų024.7 Ų24.70%012%0.115CC..Hα-helixtrans-58.4-44.8178.8177.20000110.9Y347 L373 L377 I451 H530 C531 H532 V536 K537 V538Y347-V534 HydrophobicContact CE1-CG1 4.32Å; L373-V534 HydrophobicContact CD1-CG1 4.23Å; L373-V534 HydrophobicContact CD1-CG2 4.2Å; L377-V534 HydrophobicContact CD1-CG1 4.29Å; L377-V534 HydrophobicContact CD2-CB 4.46Å; L377-V534 HydrophobicContact CD2-CG1 4.41Å; I451-V534 HydrophobicContact CD1-CG1 4.32Å; I451-V534 HydrophobicContact CD1-CG2 3.89Å; I451-V534 HydrophobicContact CG1-CG1 4.41Å; I451-V534 HydrophobicContact CG1-CG2 3.44Å; I451-V534 VanDerWaalsContact CG1-CG2 3.44Å; H530-V534 WeakPolarHBondContact O-CG2 3.39Å; H530-V534 PolarHBondContact O-N 3.4Å; C531-V534 WeakPolarHBondContact O-CB 3.49Å; C531-V534 PolarHBondContact O-N 3.02Å; C531-V534 VanDerWaalsContact O-N 3.1Å; H532-V534 VanDerWaalsContact C-N 3.34Å; H532-V534 PolarHBondContact O-N 3.02Å; V534-V536 PolarHBondContact O-N 2.85Å; V534-K537 PolarHBondContact O-N 3.47Å; V534-V538 HydrophobicContact CG1-CG2 4.11Å; V534-V538 WeakPolarHBondContact O-CB 3.38Å; V534-V538 VanDerWaalsContact O-CG2 3.28Å; V534-V538 WeakPolarHBondContact O-CG2 3.46Å; V534-V538 PolarHBondContact O-N 3.45Å
535V98.8Very high97.7Very high0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-60.7-47.8178.7178.90000111.6A340 F341 V344 L377 F380 C531 H532 Y533 K537 V538 F539 Y562A340-V535 HydrophobicContact CB-CG1 3.66Å; F341-V535 HydrophobicContact CD1-CG1 4.21Å; F341-V535 HydrophobicContact CE1-CG1 4.23Å; F341-V535 HydrophobicContact CE1-CG2 4.35Å; V344-V535 HydrophobicContact CG2-CB 4.11Å; V344-V535 HydrophobicContact CG2-CG1 3.97Å; V344-V535 HydrophobicContact CG2-CG2 3.99Å; L377-V535 HydrophobicContact CD2-CG2 4.1Å; F380-V535 HydrophobicContact CD1-CG2 4.01Å; F380-V535 HydrophobicContact CE1-CG2 3.79Å; C531-V535 WeakPolarHBondContact O-CG2 3.39Å; C531-V535 PolarHBondContact O-N 2.97Å; H532-V535 PolarHBondContact O-N 2.92Å; Y533-V535 VanDerWaalsContact C-N 3.31Å; Y533-V535 PolarHBondContact O-N 3.35Å; V535-K537 PolarHBondContact O-N 3.39Å; V535-V538 PolarHBondContact O-N 3.01Å; V535-F539 PolarHBondContact O-N 3.15Å; V535-Y562 HydrophobicContact CB-CE1 4.23Å; V535-Y562 HydrophobicContact CG1-CE1 3.58Å; V535-Y562 WeakPolarHBondContact CG1-OH 3.4Å
536V98.6Very high97.6Very high2 Ų224.2 Ų24.21%0.01213%0.134CC..Hα-helixtrans-63.4-42.6179.2179.60000111L480 V484 Y487 H532 Y533 V534 F539 N540 Y562 A563L480-V536 HydrophobicContact CD1-CG1 4.49Å; V484-V536 HydrophobicContact CG2-CG1 3.86Å; Y487-V536 HydrophobicContact CD1-CG2 4.07Å; Y487-V536 HydrophobicContact CD2-CG1 4.21Å; Y487-V536 HydrophobicContact CD2-CG2 4.12Å; Y487-V536 HydrophobicContact CE1-CG2 4.04Å; Y487-V536 HydrophobicContact CE2-CG2 4.1Å; Y487-V536 HydrophobicContact CG-CB 4.45Å; Y487-V536 HydrophobicContact CG-CG2 4.11Å; H532-V536 WeakPolarHBondContact O-CG2 3.33Å; H532-V536 PolarHBondContact O-N 3.34Å; H532-V536 VanDerWaalsContact O-N 3.09Å; Y533-V536 PolarHBondContact O-N 3.33Å; V534-V536 PolarHBondContact O-N 2.85Å; V536-F539 PolarHBondContact O-N 2.66Å; V536-N540 PolarHBondContact O-N 3.21Å; V536-Y562 HydrophobicContact CG2-CD1 3.98Å; V536-Y562 HydrophobicContact CG2-CE1 3.71Å; V536-A563 HydrophobicContact CG1-CB 4.17Å
537K98.1Very high97.5Very high60 Ų6027.7 Ų27.726%0.26117%0.17SC..Hα-helixtrans-61.5-48.6177.3171.8169.5167.345.70111.9I451 V484 Y533 V534 V535 F539 N540 D541I451-K537 HydrophobicContact CD1-CD 4.32Å; V484-K537 HydrophobicContact CG1-CB 4.15Å; Y533-K537 HydrophobicContact CD2-CB 4.44Å; Y533-K537 HydrophobicContact CE2-CB 4.08Å; Y533-K537 HydrophobicContact CE2-CD 4.03Å; Y533-K537 WeakPolarHBondContact O-CB 3.19Å; Y533-K537 PolarHBondContact O-N 3.3Å; Y533-K537 WeakPolarHBondContact OH-CD 3.26Å; V534-K537 PolarHBondContact O-N 3.47Å; V535-K537 PolarHBondContact O-N 3.39Å; K537-F539 VanDerWaalsContact C-N 3.33Å; K537-F539 PolarHBondContact O-N 2.84Å; K537-N540 PolarHBondContact O-N 3.18Å; K537-D541 IonicContact NZ-OD1 3.62Å; K537-D541 IonicContact NZ-OD2 3.74Å; K537-D541 PolarHBondContact NZ-OD2 2.9Å; K537-D541 PolarHBondContact O-N 3.09Å
538V98.1Very high97.4Very high13 Ų1329.8 Ų29.88%0.07918%0.182CC..Hα-helixtrans-64.1-39.7-179.2169.90000110.9F343 V344 Y347 V534 V535 D541 K542F343-V538 HydrophobicContact CB-CG1 4.23Å; V344-V538 HydrophobicContact CG2-CB 3.91Å; V344-V538 HydrophobicContact CG2-CG1 3.89Å; V344-V538 HydrophobicContact CG2-CG2 4.45Å; Y347-V538 HydrophobicContact CD1-CG2 3.84Å; Y347-V538 HydrophobicContact CD2-CG2 4.26Å; Y347-V538 HydrophobicContact CE1-CG2 4.01Å; Y347-V538 HydrophobicContact CE2-CG2 4.43Å; Y347-V538 HydrophobicContact CG-CG1 4.34Å; Y347-V538 HydrophobicContact CG-CG2 3.94Å; V534-V538 HydrophobicContact CG1-CG2 4.11Å; V534-V538 WeakPolarHBondContact O-CB 3.38Å; V534-V538 VanDerWaalsContact O-CG2 3.28Å; V534-V538 WeakPolarHBondContact O-CG2 3.46Å; V534-V538 PolarHBondContact O-N 3.45Å; V535-V538 PolarHBondContact O-N 3.01Å; V538-D541 PolarHBondContact O-N 3.37Å; V538-K542 WeakPolarHBondContact O-CB 3.45Å; V538-K542 PolarHBondContact O-N 2.98Å
539F98.3Very high97.4Very high2 Ų233.9 Ų33.91%0.00921%0.208CC..Hα-helixtrans-61.9-47.9175.1-157.6163.9000110.8A340 F343 V535 V536 K537 D541 K542 L543 L558 A559A340-F539 HydrophobicContact CB-CD1 3.5Å; A340-F539 HydrophobicContact CB-CE1 3.86Å; A340-F539 HydrophobicContact CB-CG 4.4Å; F343-F539 AromaticContact CD2-CD2 3.7Å; F343-F539 HydrophobicContact CD2-CD2 3.7Å; F343-F539 AromaticContact CD2-CE2 3.91Å; F343-F539 HydrophobicContact CD2-CE2 3.91Å; F343-F539 HydrophobicContact CD2-CG 4.31Å; F343-F539 AromaticContact CE2-CD2 3.81Å; F343-F539 HydrophobicContact CE2-CD2 3.81Å; F343-F539 AromaticContact CE2-CE2 3.56Å; F343-F539 HydrophobicContact CE2-CE2 3.56Å; F343-F539 HydrophobicContact CE2-CZ 4.29Å; V535-F539 PolarHBondContact O-N 3.15Å; V536-F539 PolarHBondContact O-N 2.66Å; K537-F539 VanDerWaalsContact C-N 3.33Å; K537-F539 PolarHBondContact O-N 2.84Å; F539-D541 VanDerWaalsContact C-N 3.34Å; F539-D541 PolarHBondContact O-N 3.41Å; F539-K542 PolarHBondContact O-N 3.16Å; F539-L543 HydrophobicContact CD2-CG 4.43Å; F539-L543 PolarHBondContact O-N 3.04Å; F539-L543 VanDerWaalsContact O-N 3.16Å; F539-L558 HydrophobicContact CZ-CB 4.07Å; F539-A559 HydrophobicContact CD1-CB 3.9Å; F539-A559 HydrophobicContact CD2-CB 3.9Å; F539-A559 HydrophobicContact CE1-CB 3.87Å; F539-A559 HydrophobicContact CE2-CB 3.83Å; F539-A559 HydrophobicContact CG-CB 3.94Å; F539-A559 HydrophobicContact CZ-CB 3.83Å
540N97.6Very high97.3Very high15 Ų1535.5 Ų35.58%0.0822%0.221CC..Hα-helixtrans-59.8-41.9176-176.363.5000112.9L480 V484 V536 K537 K542 L543L480-N540 HydrophobicContact CD2-CB 3.83Å; L480-N540 WeakPolarHBondContact CD2-OD1 3.32Å; L480-N540 HydrophobicContact CG-CB 4.07Å; L480-N540 WeakPolarHBondContact CG-OD1 3.24Å; V484-N540 HydrophobicContact CG2-CB 3.66Å; V536-N540 PolarHBondContact O-N 3.21Å; K537-N540 PolarHBondContact O-N 3.18Å; N540-K542 VanDerWaalsContact C-N 3.35Å; N540-L543 PolarHBondContact O-N 3.41Å
541D96.6Very high97.3Very high57 Ų5735.4 Ų35.431%0.30522%0.221SC..Hα-helixtrans-67.7-35.9178.6-72-26000112K537 V538 F539 L543 K544K537-D541 IonicContact NZ-OD1 3.62Å; K537-D541 IonicContact NZ-OD2 3.74Å; K537-D541 PolarHBondContact NZ-OD2 2.9Å; K537-D541 PolarHBondContact O-N 3.09Å; V538-D541 PolarHBondContact O-N 3.37Å; F539-D541 VanDerWaalsContact C-N 3.34Å; F539-D541 PolarHBondContact O-N 3.41Å; D541-L543 VanDerWaalsContact C-N 3.34Å; D541-L543 PolarHBondContact O-N 3.12Å; D541-K544 WeakPolarHBondContact O-CB 3.3Å; D541-K544 PolarHBondContact O-N 2.82Å; D541-K544 IonicContact OD1-NZ 3.58Å; D541-K544 PolarHBondContact OD1-NZ 2.92Å
542K96Very high97.3Very high65 Ų6538.7 Ų38.728%0.28324%0.236SC..Hα-helixtrans-63.8-38.8175.7-171.571.9178.8-163.20112F343 V538 F539 N540 K544 G545F343-K542 HydrophobicContact CB-CB 4.4Å; F343-K542 HydrophobicContact CB-CG 4.38Å; F343-K542 HydrophobicContact CD1-CD 4.05Å; F343-K542 HydrophobicContact CD1-CG 3.69Å; F343-K542 HydrophobicContact CD2-CB 4.13Å; F343-K542 HydrophobicContact CD2-CG 3.96Å; F343-K542 HydrophobicContact CE1-CD 4.38Å; F343-K542 HydrophobicContact CE1-CG 3.85Å; F343-K542 HydrophobicContact CE2-CG 4.11Å; F343-K542 HydrophobicContact CG-CB 4.13Å; F343-K542 HydrophobicContact CG-CD 4.4Å; F343-K542 HydrophobicContact CG-CG 3.75Å; F343-K542 HydrophobicContact CZ-CG 4.06Å; V538-K542 WeakPolarHBondContact O-CB 3.45Å; V538-K542 PolarHBondContact O-N 2.98Å; F539-K542 PolarHBondContact O-N 3.16Å; N540-K542 VanDerWaalsContact C-N 3.35Å; K542-K544 PolarHBondContact O-N 3.18Å; K542-G545 PolarHBondContact O-N 3.23Å
543L96Very high97.3Very high7 Ų741.5 Ų41.54%0.03726%0.257CS..Hα-helixtrans-57.5-35.8178.2-72.1171.7000112.4L480 F539 N540 D541 G545 V546 H552 L555 A559L480-L543 HydrophobicContact CD2-CD1 3.43Å; L480-L543 VanDerWaalsContact CD2-CD1 3.43Å; F539-L543 HydrophobicContact CD2-CG 4.43Å; F539-L543 PolarHBondContact O-N 3.04Å; F539-L543 VanDerWaalsContact O-N 3.16Å; N540-L543 PolarHBondContact O-N 3.41Å; D541-L543 VanDerWaalsContact C-N 3.34Å; D541-L543 PolarHBondContact O-N 3.12Å; L543-G545 PolarHBondContact O-N 3.37Å; L543-G545 VanDerWaalsContact O-N 3.12Å; L543-V546 WeakPolarHBondContact O-CB 3.33Å; L543-V546 PolarHBondContact O-N 3.02Å; L543-H552 PolarHBondContact O-CD2 3.28Å; L543-H552 VanDerWaalsContact O-CD2 3.27Å; L543-L555 HydrophobicContact CD2-CB 3.43Å; L543-L555 VanDerWaalsContact CD2-CB 3.43Å; L543-L555 HydrophobicContact CD2-CD1 4.47Å; L543-A559 HydrophobicContact CD1-CB 3.9Å
544K94.8Very high97.3Very high145 Ų14541.4 Ų41.463%0.6326%0.257SS*.THydrogen-bonded Turntrans-60.2-23.9177.6-60.4171.1-175.2163.50113.3D541 K542D541-K544 WeakPolarHBondContact O-CB 3.3Å; D541-K544 PolarHBondContact O-N 2.82Å; D541-K544 IonicContact OD1-NZ 3.58Å; D541-K544 PolarHBondContact OD1-NZ 2.92Å; K542-K544 PolarHBondContact O-N 3.18Å
545G93.7Very high97.3Very high72 Ų7241.4 Ų41.474%0.74226%0.257SS*.THydrogen-bonded Turntrans-91.9-2.117700000114.7K542 L543 G547K542-G545 PolarHBondContact O-N 3.23Å; L543-G545 PolarHBondContact O-N 3.37Å; L543-G545 VanDerWaalsContact O-N 3.12Å; G545-G547 PolarHBondContact O-N 2.79Å
546V96.1Very high97.3Very high16 Ų1642.7 Ų42.710%0.09727%0.266CS..  trans-89.6106.4-178.7-179.90000109.7I22 L543 I551 H552 L555I22-V546 HydrophobicContact CD1-CG1 4.1Å; L543-V546 WeakPolarHBondContact O-CB 3.33Å; L543-V546 PolarHBondContact O-N 3.02Å; V546-I551 HydrophobicContact CG1-CB 4.18Å; V546-I551 HydrophobicContact CG1-CG2 3.9Å; V546-H552 HydrophobicContact CB-CB 4.4Å; V546-H552 HydrophobicContact CG1-CB 3.96Å; V546-L555 HydrophobicContact CG2-CD1 4.11Å
547G95.1Very high97.3Very high76 Ų7643.5 Ų43.578%0.78427%0.271SS*.  trans-82.3-23.5-177.600000115.6G545 T549G545-G547 PolarHBondContact O-N 2.79Å; G547-T549 PolarHBondContact O-N 3.43Å
548D97.7Very high97.3Very high44 Ų4440.6 Ų40.624%0.23526%0.258CS..  trans-79.8118.4178.8-175.2-69.1000110.4K18 A550 I551 H552K18-D548 WeakPolarHBondContact CD-OD2 3.48Å; K18-D548 IonicContact NZ-OD2 2.7Å; K18-D548 PolarHBondContact NZ-OD2 2.79Å; D548-A550 VanDerWaalsContact C-N 3.34Å; D548-A550 PolarHBondContact O-N 2.75Å; D548-A550 PolarHBondContact OD1-N 2.7Å; D548-A550 VanDerWaalsContact OD1-N 3.08Å; D548-I551 HydrophobicContact CB-CB 4.2Å; D548-I551 HydrophobicContact CB-CD1 4.06Å; D548-I551 HydrophobicContact CB-CG1 4.26Å; D548-I551 PolarHBondContact O-N 3.47Å; D548-I551 PolarHBondContact OD1-N 3.31Å; D548-I551 VanDerWaalsContact OD1-N 3.13Å; D548-H552 VanDerWaalsContact O-CB 3.32Å; D548-H552 WeakPolarHBondContact O-CB 3.36Å; D548-H552 PolarHBondContact O-N 3.41Å
549T97.8Very high97.3Very high118 Ų11840.1 Ų40.172%0.72426%0.255SS*.Hα-helixtrans-60.5-39-173.4-50.80000113.4G547 S553G547-T549 PolarHBondContact O-N 3.43Å; T549-S553 WeakPolarHBondContact O-CB 2.85Å; T549-S553 PolarHBondContact O-N 3.4Å
550A98.1Very high97.3Very high35 Ų3541 Ų4129%0.28926%0.26SS..Hα-helixtrans-69.9-42.4-178.300000110.7F14 D548 S553 V554F14-A550 HydrophobicContact CB-CB 4.03Å; D548-A550 VanDerWaalsContact C-N 3.34Å; D548-A550 PolarHBondContact O-N 2.75Å; D548-A550 PolarHBondContact OD1-N 2.7Å; D548-A550 VanDerWaalsContact OD1-N 3.08Å; A550-S553 WeakPolarHBondContact O-CB 3.41Å; A550-S553 PolarHBondContact O-N 3.07Å; A550-V554 PolarHBondContact O-N 3.46Å; A550-V554 VanDerWaalsContact O-N 3.16Å
551I98.4Very high97.4Very high0 Ų040.2 Ų40.20%026%0.256CS..Hα-helixtrans-67.4-43.5175.5-63.2174.7000111.1F14 K18 L19 I22 V546 D548 S553 V554 L555F14-I551 HydrophobicContact CB-CG1 4.2Å; F14-I551 HydrophobicContact CD2-CG1 4.25Å; K18-I551 HydrophobicContact CB-CD1 3.46Å; K18-I551 VanDerWaalsContact CB-CD1 3.46Å; L19-I551 HydrophobicContact CB-CD1 4.16Å; L19-I551 HydrophobicContact CD1-CG2 3.8Å; I22-I551 HydrophobicContact CD1-CD1 4.08Å; I22-I551 HydrophobicContact CD1-CG2 3.79Å; V546-I551 HydrophobicContact CG1-CB 4.18Å; V546-I551 HydrophobicContact CG1-CG2 3.9Å; D548-I551 HydrophobicContact CB-CB 4.2Å; D548-I551 HydrophobicContact CB-CD1 4.06Å; D548-I551 HydrophobicContact CB-CG1 4.26Å; D548-I551 PolarHBondContact O-N 3.47Å; D548-I551 PolarHBondContact OD1-N 3.31Å; D548-I551 VanDerWaalsContact OD1-N 3.13Å; I551-S553 PolarHBondContact O-N 2.77Å; I551-V554 WeakPolarHBondContact O-CG1 3.34Å; I551-V554 PolarHBondContact O-N 2.79Å; I551-L555 HydrophobicContact CG2-CD1 3.68Å; I551-L555 HydrophobicContact CG2-CG 4Å; I551-L555 WeakPolarHBondContact O-CB 3.4Å; I551-L555 WeakPolarHBondContact O-CG 3.36Å; I551-L555 PolarHBondContact O-N 2.9Å
552H98.3Very high97.5Very high70 Ų7038 Ų3832%0.32424%0.244SC..Hα-helixtrans-57.2-41.3175.9-177.1-77.1000111.2L543 V546 D548 S556L543-H552 PolarHBondContact O-CD2 3.28Å; L543-H552 VanDerWaalsContact O-CD2 3.27Å; V546-H552 HydrophobicContact CB-CB 4.4Å; V546-H552 HydrophobicContact CG1-CB 3.96Å; D548-H552 VanDerWaalsContact O-CB 3.32Å; D548-H552 WeakPolarHBondContact O-CB 3.36Å; D548-H552 PolarHBondContact O-N 3.41Å; H552-S556 PolarHBondContact CE1-OG 3.02Å; H552-S556 VanDerWaalsContact CE1-OG 3.31Å; H552-S556 PolarHBondContact ND1-OG 3.23Å; H552-S556 WeakPolarHBondContact O-CB 3.25Å; H552-S556 PolarHBondContact O-N 3.22Å; H552-S556 PolarHBondContact O-OG 2.95Å
553S98.1Very high97.6Very high69 Ų6935 Ų3548%0.48323%0.23SC..Hα-helixtrans-62-51.4177.2-177.70000112.6T549 A550 I551 S556 T557T549-S553 WeakPolarHBondContact O-CB 2.85Å; T549-S553 PolarHBondContact O-N 3.4Å; A550-S553 WeakPolarHBondContact O-CB 3.41Å; A550-S553 PolarHBondContact O-N 3.07Å; I551-S553 PolarHBondContact O-N 2.77Å; S553-S556 WeakPolarHBondContact O-CB 3.42Å; S553-S556 PolarHBondContact O-N 3.32Å; S553-T557 PolarHBondContact O-N 3.48Å; S553-T557 PolarHBondContact O-OG1 3.12Å
554V98.5Very high97.7Very high4 Ų434.6 Ų34.62%0.02423%0.228CC..Hα-helixtrans-68.9-38.5-17874.90000112F14 A550 I551 T557 L558 L599 N602 L606F14-V554 HydrophobicContact CD1-CB 4.27Å; F14-V554 HydrophobicContact CD1-CG1 3.88Å; F14-V554 HydrophobicContact CD1-CG2 4.29Å; F14-V554 HydrophobicContact CE1-CG1 4.22Å; F14-V554 HydrophobicContact CE1-CG2 4.26Å; F14-V554 HydrophobicContact CG-CG1 4.05Å; A550-V554 PolarHBondContact O-N 3.46Å; A550-V554 VanDerWaalsContact O-N 3.16Å; I551-V554 WeakPolarHBondContact O-CG1 3.34Å; I551-V554 PolarHBondContact O-N 2.79Å; V554-T557 WeakPolarHBondContact O-CB 3.47Å; V554-T557 PolarHBondContact O-N 2.91Å; V554-L558 PolarHBondContact O-N 2.74Å; V554-L599 HydrophobicContact CG2-CD2 4.19Å; V554-N602 HydrophobicContact CG2-CB 4.13Å; V554-L606 HydrophobicContact CG1-CD2 4.19Å; V554-L606 HydrophobicContact CG2-CD1 3.95Å; V554-L606 HydrophobicContact CG2-CD2 3.93Å; V554-L606 HydrophobicContact CG2-CG 4.24Å
555L98.6Very high97.9Very high0 Ų028.9 Ų28.90%020%0.204CC..Hα-helixtrans-68.4-36.7175.5-68.5-178.4000111.9L19 Y339 F343 L543 V546 I551 T557 L558 A559L19-L555 HydrophobicContact CD1-CD1 4.05Å; L19-L555 HydrophobicContact CD1-CD2 4.13Å; L19-L555 HydrophobicContact CD1-CG 4.36Å; Y339-L555 HydrophobicContact CD1-CD2 3.7Å; Y339-L555 HydrophobicContact CE1-CD2 3.89Å; Y339-L555 HydrophobicContact CG-CD2 4.36Å; F343-L555 HydrophobicContact CZ-CD1 4.33Å; L543-L555 HydrophobicContact CD2-CB 3.43Å; L543-L555 VanDerWaalsContact CD2-CB 3.43Å; L543-L555 HydrophobicContact CD2-CD1 4.47Å; V546-L555 HydrophobicContact CG2-CD1 4.11Å; I551-L555 HydrophobicContact CG2-CD1 3.68Å; I551-L555 HydrophobicContact CG2-CG 4Å; I551-L555 WeakPolarHBondContact O-CB 3.4Å; I551-L555 WeakPolarHBondContact O-CG 3.36Å; I551-L555 PolarHBondContact O-N 2.9Å; L555-T557 VanDerWaalsContact C-N 3.29Å; L555-T557 PolarHBondContact O-N 3.42Å; L555-L558 HydrophobicContact CD2-CD1 4.15Å; L555-L558 PolarHBondContact O-N 3.48Å; L555-A559 WeakPolarHBondContact O-CB 3.46Å; L555-A559 PolarHBondContact O-N 3.33Å
556S98.3Very high98.1Very high27 Ų2725.7 Ų25.719%0.18917%0.17CC..Hα-helixtrans-60.1-41.4171.5-67.40000111.4H552 S553 A559 L560H552-S556 PolarHBondContact CE1-OG 3.02Å; H552-S556 VanDerWaalsContact CE1-OG 3.31Å; H552-S556 PolarHBondContact ND1-OG 3.23Å; H552-S556 WeakPolarHBondContact O-CB 3.25Å; H552-S556 PolarHBondContact O-N 3.22Å; H552-S556 PolarHBondContact O-OG 2.95Å; S553-S556 WeakPolarHBondContact O-CB 3.42Å; S553-S556 PolarHBondContact O-N 3.32Å; S556-A559 PolarHBondContact O-N 2.95Å; S556-L560 WeakPolarHBondContact O-CB 3.19Å; S556-L560 WeakPolarHBondContact O-CG 3.39Å; S556-L560 PolarHBondContact O-N 3.08Å
557T98.6Very high98.1Very high18 Ų1824.9 Ų24.911%0.1117%0.166CC..Hα-helixtrans-62.8-44176.2-540000111.2S553 V554 L555 L561 L595 Q598 L599S553-T557 PolarHBondContact O-N 3.48Å; S553-T557 PolarHBondContact O-OG1 3.12Å; V554-T557 WeakPolarHBondContact O-CB 3.47Å; V554-T557 PolarHBondContact O-N 2.91Å; L555-T557 VanDerWaalsContact C-N 3.29Å; L555-T557 PolarHBondContact O-N 3.42Å; T557-L561 WeakPolarHBondContact O-CB 3.46Å; T557-L561 PolarHBondContact O-N 3.02Å; T557-L595 HydrophobicContact CG2-CD2 3.68Å; T557-Q598 HydrophobicContact CG2-CB 4.26Å; T557-L599 HydrophobicContact CG2-CD1 4.17Å; T557-L599 HydrophobicContact CG2-CD2 3.7Å; T557-L599 HydrophobicContact CG2-CG 3.66Å
558L98.8Very high98.2Very high0 Ų022.8 Ų22.80%014%0.138CC..Hα-helixtrans-62.5-43.6174.2-71.9174.8000112.1L335 S336 Y339 F539 V554 L555 L561 Y562 L599 L606L335-L558 HydrophobicContact CD2-CD2 4.35Å; L335-L558 HydrophobicContact CG-CD2 4.25Å; S336-L558 WeakPolarHBondContact CB-O 3.33Å; S336-L558 WeakPolarHBondContact OG-CA 3.22Å; S336-L558 WeakPolarHBondContact OG-CD2 3.25Å; S336-L558 PolarHBondContact OG-O 3.48Å; Y339-L558 HydrophobicContact CD2-CD1 3.63Å; Y339-L558 HydrophobicContact CE2-CD1 3.95Å; Y339-L558 HydrophobicContact CG-CD1 4Å; F539-L558 HydrophobicContact CZ-CB 4.07Å; V554-L558 PolarHBondContact O-N 2.74Å; L555-L558 HydrophobicContact CD2-CD1 4.15Å; L555-L558 PolarHBondContact O-N 3.48Å; L558-L561 PolarHBondContact O-N 3.47Å; L558-Y562 PolarHBondContact O-N 3.29Å; L558-L599 HydrophobicContact CD2-CD1 3.83Å; L558-L599 HydrophobicContact CD2-CD2 3.7Å; L558-L599 HydrophobicContact CD2-CG 4.42Å; L558-L599 HydrophobicContact CG-CD2 3.94Å; L558-L606 HydrophobicContact CD1-CD1 4.13Å; L558-L606 HydrophobicContact CD1-CD2 3.9Å; L558-L606 HydrophobicContact CD2-CD1 4.19Å; L558-L606 HydrophobicContact CG-CD1 4.39Å
559A98.6Very high98.2Very high2 Ų226.8 Ų26.82%0.01715%0.153CC..Hα-helixtrans-65.2-43.1-179.800000112.3L480 F539 L543 L555 S556 Y562 A563L480-A559 HydrophobicContact CD1-CB 4.25Å; L480-A559 HydrophobicContact CD2-CB 3.57Å; F539-A559 HydrophobicContact CD1-CB 3.9Å; F539-A559 HydrophobicContact CD2-CB 3.9Å; F539-A559 HydrophobicContact CE1-CB 3.87Å; F539-A559 HydrophobicContact CE2-CB 3.83Å; F539-A559 HydrophobicContact CG-CB 3.94Å; F539-A559 HydrophobicContact CZ-CB 3.83Å; L543-A559 HydrophobicContact CD1-CB 3.9Å; L555-A559 WeakPolarHBondContact O-CB 3.46Å; L555-A559 PolarHBondContact O-N 3.33Å; S556-A559 PolarHBondContact O-N 2.95Å; A559-Y562 PolarHBondContact O-N 3.05Å; A559-A563 WeakPolarHBondContact O-CB 3.35Å; A559-A563 PolarHBondContact O-N 3.39Å
560L98.6Very high98.2Very high20 Ų2023.3 Ų23.311%0.10513%0.13CC..Hα-helixtrans-60.3-46172.3-74.7172.7000111L480 L483 S556 Y562 A563 M564 L595L480-L560 HydrophobicContact CB-CD2 4.12Å; L480-L560 HydrophobicContact CD1-CD2 4.44Å; L483-L560 HydrophobicContact CD1-CD2 3.96Å; S556-L560 WeakPolarHBondContact O-CB 3.19Å; S556-L560 WeakPolarHBondContact O-CG 3.39Å; S556-L560 PolarHBondContact O-N 3.08Å; L560-Y562 PolarHBondContact O-N 2.87Å; L560-A563 PolarHBondContact O-N 2.78Å; L560-M564 HydrophobicContact CD2-CE 4.41Å; L560-M564 VanDerWaalsContact O-CB 3.26Å; L560-M564 WeakPolarHBondContact O-CB 3.44Å; L560-M564 VanDerWaalsContact O-CG 3.3Å; L560-M564 WeakPolarHBondContact O-CG 3.44Å; L560-M564 PolarHBondContact O-N 3.35Å; L560-L595 HydrophobicContact CB-CD1 4.1Å
561L98.8Very high98.1Very high0 Ų023.5 Ų23.50%013%0.129CC..Hα-helixtrans-60.4-44.4177.4177.860.9000111.6F332 P333 T557 L558 H565 I592 L595 L596 L599F332-L561 HydrophobicContact CB-CD2 3.79Å; P333-L561 HydrophobicContact CG-CD1 4.44Å; P333-L561 HydrophobicContact CG-CD2 4.39Å; T557-L561 WeakPolarHBondContact O-CB 3.46Å; T557-L561 PolarHBondContact O-N 3.02Å; L558-L561 PolarHBondContact O-N 3.47Å; L561-H565 WeakPolarHBondContact O-CB 3.43Å; L561-H565 PolarHBondContact O-N 3.46Å; L561-I592 HydrophobicContact CD1-CB 4.46Å; L561-I592 HydrophobicContact CD1-CG1 4.28Å; L561-I592 HydrophobicContact CD1-CG2 3.87Å; L561-L595 HydrophobicContact CB-CD1 4.2Å; L561-L595 HydrophobicContact CD1-CB 4.46Å; L561-L596 HydrophobicContact CD1-CD2 4.37Å; L561-L596 HydrophobicContact CD2-CD2 4.11Å; L561-L599 HydrophobicContact CB-CD1 4.41Å; L561-L599 HydrophobicContact CD2-CD1 3.47Å; L561-L599 VanDerWaalsContact CD2-CD1 3.47Å
562Y98.8Very high97.9Very high11 Ų1125.6 Ų25.64%0.04315%0.151CC..Hα-helixtrans-59.1-51.8177.1-179.8-101.5000111.4M337 A340 H532 V535 V536 L558 A559 L560 M564 H565 G566M337-Y562 HydrophobicContact CB-CD2 3.99Å; M337-Y562 HydrophobicContact CB-CE2 3.92Å; M337-Y562 HydrophobicContact CG-CD2 4.47Å; M337-Y562 HydrophobicContact CG-CE2 3.89Å; M337-Y562 HydrophobicContact SD-CE2 4.38Å; A340-Y562 HydrophobicContact CB-CD1 4.44Å; A340-Y562 HydrophobicContact CB-CD2 4.36Å; A340-Y562 HydrophobicContact CB-CE1 4.44Å; A340-Y562 HydrophobicContact CB-CE2 4.34Å; A340-Y562 HydrophobicContact CB-CG 4.41Å; H532-Y562 AromaticContact NE2-CE1 3.92Å; H532-Y562 AromaticContact NE2-CZ 3.92Å; V535-Y562 HydrophobicContact CB-CE1 4.23Å; V535-Y562 HydrophobicContact CG1-CE1 3.58Å; V535-Y562 WeakPolarHBondContact CG1-OH 3.4Å; V536-Y562 HydrophobicContact CG2-CD1 3.98Å; V536-Y562 HydrophobicContact CG2-CE1 3.71Å; L558-Y562 PolarHBondContact O-N 3.29Å; A559-Y562 PolarHBondContact O-N 3.05Å; L560-Y562 PolarHBondContact O-N 2.87Å; Y562-M564 PolarHBondContact O-N 2.87Å; Y562-H565 PolarHBondContact O-N 3.18Å; Y562-G566 PolarHBondContact O-N 2.7Å
563A98.5Very high97.8Very high0 Ų023.1 Ų23.10%014%0.14CC..Hα-helixtrans-63.7-43.1-179.200000112.3L480 L483 Y487 V536 A559 L560 G566 I567L480-A563 HydrophobicContact CD1-CB 4.15Å; L483-A563 HydrophobicContact CB-CB 4.33Å; L483-A563 HydrophobicContact CD1-CB 3.73Å; Y487-A563 HydrophobicContact CE2-CB 4.04Å; Y487-A563 WeakPolarHBondContact CE2-O 3.43Å; Y487-A563 PolarHBondContact OH-O 3.36Å; V536-A563 HydrophobicContact CG1-CB 4.17Å; A559-A563 WeakPolarHBondContact O-CB 3.35Å; A559-A563 PolarHBondContact O-N 3.39Å; L560-A563 PolarHBondContact O-N 2.78Å; A563-G566 PolarHBondContact O-N 2.95Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 2.72Å; A563-I567 VanDerWaalsContact O-N 3.07Å
564M98.1Very high97.5Very high0 Ų019.9 Ų19.90%012%0.117CC..Hα-helixtrans-68.8-41.7178.8-77-176.4-172.300113.1I477 L483 L560 Y562 G566 I567 T568 I588 R591 I592 L595I477-M564 HydrophobicContact CB-CE 4.49Å; I477-M564 WeakPolarHBondContact O-CE 3.41Å; L483-M564 HydrophobicContact CD1-CG 4.31Å; L560-M564 HydrophobicContact CD2-CE 4.41Å; L560-M564 VanDerWaalsContact O-CB 3.26Å; L560-M564 WeakPolarHBondContact O-CB 3.44Å; L560-M564 VanDerWaalsContact O-CG 3.3Å; L560-M564 WeakPolarHBondContact O-CG 3.44Å; L560-M564 PolarHBondContact O-N 3.35Å; Y562-M564 PolarHBondContact O-N 2.87Å; M564-G566 VanDerWaalsContact C-N 3.33Å; M564-I567 PolarHBondContact O-N 3.42Å; M564-T568 PolarHBondContact O-N 2.74Å; M564-T568 PolarHBondContact O-OG1 3.3Å; M564-I588 HydrophobicContact CB-CG2 3.75Å; M564-I588 HydrophobicContact CG-CG2 3.98Å; M564-I588 HydrophobicContact SD-CG2 4.48Å; M564-R591 HydrophobicContact CE-CB 4.36Å; M564-R591 HydrophobicContact CE-CG 3.58Å; M564-R591 HydrophobicContact SD-CB 3.98Å; M564-R591 HydrophobicContact SD-CG 3.61Å; M564-I592 HydrophobicContact CB-CD1 4.11Å; M564-I592 HydrophobicContact CB-CG1 3.83Å; M564-L595 HydrophobicContact CE-CD1 4.48Å; M564-L595 HydrophobicContact SD-CD1 3.66Å
565H98.3Very high97.1Very high25 Ų2522.7 Ų22.712%0.11613%0.132CC..Hα-helixtrans-63.9-41176.2175-106.2000111P333 L561 Y562 I567 T568 K569P333-H565 HydrophobicContact CB-CB 4.35Å; L561-H565 WeakPolarHBondContact O-CB 3.43Å; L561-H565 PolarHBondContact O-N 3.46Å; Y562-H565 PolarHBondContact O-N 3.18Å; H565-I567 VanDerWaalsContact C-N 3.33Å; H565-I567 PolarHBondContact O-N 2.82Å; H565-T568 PolarHBondContact O-N 2.77Å; H565-K569 WeakPolarHBondContact CE1-CE 3.28Å; H565-K569 PolarHBondContact O-N 2.65Å
566G98Very high96.6Very high4 Ų428.4 Ų28.44%0.04116%0.159CC..Hα-helixtrans-62.5-35.7173.700000113.6Y487 Y562 A563 M564 N570Y487-G566 WeakPolarHBondContact OH-CA 3.4Å; Y562-G566 PolarHBondContact O-N 2.7Å; A563-G566 PolarHBondContact O-N 2.95Å; M564-G566 VanDerWaalsContact C-N 3.33Å; G566-N570 WeakPolarHBondContact O-CB 3.4Å; G566-N570 PolarHBondContact O-N 2.85Å; G566-N570 VanDerWaalsContact O-N 3.13Å; G566-N570 PolarHBondContact O-ND2 2.78Å
567I97.2Very high95.9Very high0 Ų028.6 Ų28.60%016%0.162CC..Hα-helixtrans-65.2-44.2172.4-71.2165000110.7L483 Y487 A563 M564 H565 N570 S571 F574 I588L483-I567 HydrophobicContact CD2-CD1 3.83Å; Y487-I567 HydrophobicContact CE2-CD1 4.01Å; Y487-I567 HydrophobicContact CE2-CG1 3.77Å; Y487-I567 PolarHBondContact OH-N 3.18Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 2.72Å; A563-I567 VanDerWaalsContact O-N 3.07Å; M564-I567 PolarHBondContact O-N 3.42Å; H565-I567 VanDerWaalsContact C-N 3.33Å; H565-I567 PolarHBondContact O-N 2.82Å; I567-N570 CarbonylContact O-C 3.5Å; I567-N570 PolarHBondContact O-N 2.92Å; I567-S571 WeakPolarHBondContact O-CA 3.46Å; I567-S571 WeakPolarHBondContact O-CB 3.39Å; I567-S571 PolarHBondContact O-N 2.73Å; I567-F574 HydrophobicContact CB-CD2 4.35Å; I567-F574 HydrophobicContact CB-CE2 4.13Å; I567-F574 HydrophobicContact CB-CZ 4.44Å; I567-F574 HydrophobicContact CG1-CD1 4.42Å; I567-F574 HydrophobicContact CG1-CD2 4.27Å; I567-F574 HydrophobicContact CG1-CE1 3.97Å; I567-F574 HydrophobicContact CG1-CE2 3.83Å; I567-F574 HydrophobicContact CG1-CZ 3.64Å; I567-F574 HydrophobicContact CG2-CD2 4.11Å; I567-F574 HydrophobicContact CG2-CE2 4.4Å; I567-F574 HydrophobicContact CG2-CG 4.41Å; I567-I588 HydrophobicContact CB-CD1 4.47Å; I567-I588 HydrophobicContact CD1-CD1 4.21Å; I567-I588 HydrophobicContact CG2-CD1 3.81Å
568T96.8Very high95.2Very high32 Ų3230.9 Ų30.920%0.19619%0.188CC..Hα-helixtrans-64-44.9-179-55.20000111.2M564 H565 N570 S571 I592M564-T568 PolarHBondContact O-N 2.74Å; M564-T568 PolarHBondContact O-OG1 3.3Å; H565-T568 PolarHBondContact O-N 2.77Å; T568-N570 VanDerWaalsContact C-N 3.32Å; T568-N570 PolarHBondContact O-N 3.01Å; T568-S571 PolarHBondContact O-OG 3.25Å; T568-I592 WeakPolarHBondContact OG1-CD1 3.31Å
569K97Very high94.7Very high128 Ų12832.3 Ų32.356%0.55720%0.196SC*.Hα-helixtrans-63.6-34.6177.4-83.4-161.8170.5-175.50113.6H565H565-K569 WeakPolarHBondContact CE1-CE 3.28Å; H565-K569 PolarHBondContact O-N 2.65Å
570N97.3Very high94.1Very high45 Ų4532.5 Ų32.524%0.24120%0.197CC..THydrogen-bonded Turntrans-112.628.2-176.2-57.6-78000112.2G566 I567 T568 G572 D573 F574G566-N570 WeakPolarHBondContact O-CB 3.4Å; G566-N570 PolarHBondContact O-N 2.85Å; G566-N570 VanDerWaalsContact O-N 3.13Å; G566-N570 PolarHBondContact O-ND2 2.78Å; I567-N570 CarbonylContact O-C 3.5Å; I567-N570 PolarHBondContact O-N 2.92Å; T568-N570 VanDerWaalsContact C-N 3.32Å; T568-N570 PolarHBondContact O-N 3.01Å; N570-G572 PolarHBondContact O-N 3.49Å; N570-G572 VanDerWaalsContact O-N 3.11Å; N570-D573 WeakPolarHBondContact O-CB 3.46Å; N570-D573 PolarHBondContact O-N 2.74Å; N570-F574 HydrophobicContact CB-CD2 4.48Å; N570-F574 HydrophobicContact CB-CE2 4.03Å; N570-F574 VanDerWaalsContact O-CD2 3.27Å; N570-F574 WeakPolarHBondContact O-CD2 3.12Å
571S96.3Very high93.7Very high38 Ų3833.7 Ų33.727%0.26621%0.207SC..Hα-helixtrans-56.9-33.7-169.455.30000113.2I567 T568 D573 F574 L575I567-S571 WeakPolarHBondContact O-CA 3.46Å; I567-S571 WeakPolarHBondContact O-CB 3.39Å; I567-S571 PolarHBondContact O-N 2.73Å; T568-S571 PolarHBondContact O-OG 3.25Å; S571-D573 VanDerWaalsContact C-N 3.27Å; S571-D573 PolarHBondContact O-N 2.9Å; S571-F574 PolarHBondContact O-N 3.17Å; S571-L575 WeakPolarHBondContact O-CB 3.12Å; S571-L575 VanDerWaalsContact O-CG 3.27Å; S571-L575 WeakPolarHBondContact O-CG 3.4Å; S571-L575 PolarHBondContact O-N 3.21Å
572G95.8Very high93.3Very high44 Ų4438 Ų3845%0.45423%0.233SC..Hα-helixtrans-54.9-39.1174.700000113.5N570 Q576N570-G572 PolarHBondContact O-N 3.49Å; N570-G572 VanDerWaalsContact O-N 3.11Å; G572-Q576 WeakPolarHBondContact O-CB 3.42Å; G572-Q576 PolarHBondContact O-N 3.11Å
573D94.5Very high93Very high19 Ų1941.3 Ų41.310%0.10226%0.256CS..Hα-helixtrans-67.6-46178.9-65.7-11000111.7R490 L494 R525 N570 S571 A577R490-D573 HydrophobicContact CG-CB 4.14Å; R490-D573 IonicContact CZ-OD2 3.93Å; R490-D573 IonicContact NE-OD2 2.83Å; R490-D573 PolarHBondContact NE-OD2 3.31Å; R490-D573 IonicContact NH2-OD2 3.9Å; R490-D573 PolarHBondContact NH2-OD2 3.36Å; L494-D573 HydrophobicContact CD1-CB 4.29Å; R525-D573 IonicContact CZ-OD1 3.39Å; R525-D573 IonicContact NE-OD1 2.77Å; R525-D573 PolarHBondContact NE-OD1 3.07Å; R525-D573 IonicContact NE-OD2 2.73Å; R525-D573 IonicContact NH2-OD1 3.71Å; R525-D573 PolarHBondContact NH2-OD1 3.44Å; N570-D573 WeakPolarHBondContact O-CB 3.46Å; N570-D573 PolarHBondContact O-N 2.74Å; S571-D573 VanDerWaalsContact C-N 3.27Å; S571-D573 PolarHBondContact O-N 2.9Å; D573-A577 VanDerWaalsContact O-CB 3.32Å; D573-A577 WeakPolarHBondContact O-CB 3.37Å; D573-A577 PolarHBondContact O-N 3.13Å
574F91.6Very high92.6Very high0 Ų043.1 Ų43.10%026%0.264CS..Hα-helixtrans-70.2-37.5-177.6-62.2-85.9000111.8V486 Y487 R490 I567 N570 S571 G578 L579 V580V486-F574 HydrophobicContact CG1-CD1 3.52Å; V486-F574 HydrophobicContact CG1-CE1 3.66Å; Y487-F574 HydrophobicContact CD1-CZ 4.08Å; Y487-F574 HydrophobicContact CD2-CE1 4.49Å; Y487-F574 HydrophobicContact CD2-CZ 4.47Å; Y487-F574 AromaticContact CE1-CZ 3.8Å; Y487-F574 HydrophobicContact CE1-CZ 3.8Å; Y487-F574 HydrophobicContact CE2-CZ 4.22Å; Y487-F574 HydrophobicContact CG-CE1 4.47Å; Y487-F574 HydrophobicContact CG-CZ 4.41Å; Y487-F574 AromaticContact CZ-CZ 3.88Å; R490-F574 HydrophobicContact CB-CD1 4.08Å; R490-F574 HydrophobicContact CB-CE1 3.82Å; R490-F574 HydrophobicContact CB-CZ 4.44Å; R490-F574 VanDerWaalsContact CD-CE1 3.45Å; R490-F574 VanDerWaalsContact CD-CE2 3.46Å; R490-F574 HydrophobicContact CG-CD1 4.48Å; R490-F574 HydrophobicContact CG-CE1 4.21Å; R490-F574 HydrophobicContact CG-CZ 4.39Å; I567-F574 HydrophobicContact CB-CD2 4.35Å; I567-F574 HydrophobicContact CB-CE2 4.13Å; I567-F574 HydrophobicContact CB-CZ 4.44Å; I567-F574 HydrophobicContact CG1-CD1 4.42Å; I567-F574 HydrophobicContact CG1-CD2 4.27Å; I567-F574 HydrophobicContact CG1-CE1 3.97Å; I567-F574 HydrophobicContact CG1-CE2 3.83Å; I567-F574 HydrophobicContact CG1-CZ 3.64Å; I567-F574 HydrophobicContact CG2-CD2 4.11Å; I567-F574 HydrophobicContact CG2-CE2 4.4Å; I567-F574 HydrophobicContact CG2-CG 4.41Å; N570-F574 HydrophobicContact CB-CD2 4.48Å; N570-F574 HydrophobicContact CB-CE2 4.03Å; N570-F574 VanDerWaalsContact O-CD2 3.27Å; N570-F574 WeakPolarHBondContact O-CD2 3.12Å; S571-F574 PolarHBondContact O-N 3.17Å; F574-G578 PolarHBondContact O-N 3.36Å; F574-L579 HydrophobicContact CD1-CD1 4.43Å; F574-L579 PolarHBondContact O-N 2.87Å; F574-V580 HydrophobicContact CB-CB 4.43Å; F574-V580 HydrophobicContact CB-CG1 4.28Å; F574-V580 HydrophobicContact CB-CG2 3.43Å; F574-V580 VanDerWaalsContact CB-CG2 3.43Å; F574-V580 PolarHBondContact O-N 3.34Å
575L90.7Very high92.4Very high64 Ų6444 Ų4434%0.33527%0.27SS..Hα-helixtrans-67.5-47.1174.5-71.9167.2000111.3S571 A577 G578 V580 V582 V585S571-L575 WeakPolarHBondContact O-CB 3.12Å; S571-L575 VanDerWaalsContact O-CG 3.27Å; S571-L575 WeakPolarHBondContact O-CG 3.4Å; S571-L575 PolarHBondContact O-N 3.21Å; L575-A577 VanDerWaalsContact C-N 3.25Å; L575-A577 PolarHBondContact O-N 2.97Å; L575-G578 PolarHBondContact O-N 2.98Å; L575-V580 HydrophobicContact CD2-CG2 4.32Å; L575-V580 WeakPolarHBondContact CD2-O 3.36Å; L575-V580 HydrophobicContact CG-CG2 4.38Å; L575-V582 HydrophobicContact CD2-CG2 3.84Å; L575-V585 HydrophobicContact CD2-CG2 4.29Å; L575-V585 HydrophobicContact CG-CG2 4.47Å
576Q88Confident92.2Very high120 Ų12048.1 Ų48.156%0.56129%0.292SS*.Hα-helixtrans-60-37.6178.4-178.2178.31700111.7G572 G578G572-Q576 WeakPolarHBondContact O-CB 3.42Å; G572-Q576 PolarHBondContact O-N 3.11Å; Q576-G578 PolarHBondContact O-N 2.97Å
577A84.3Confident92Very high31 Ų3153 Ų5326%0.25631%0.314SS..THydrogen-bonded Turntrans-79-3.7176.700000113.8T493 D573 L575 L579T493-A577 HydrophobicContact CG2-CB 3.97Å; D573-A577 VanDerWaalsContact O-CB 3.32Å; D573-A577 WeakPolarHBondContact O-CB 3.37Å; D573-A577 PolarHBondContact O-N 3.13Å; L575-A577 VanDerWaalsContact C-N 3.25Å; L575-A577 PolarHBondContact O-N 2.97Å; A577-L579 HydrophobicContact CB-CD1 3.68Å; A577-L579 HydrophobicContact CB-CG 3.67Å; A577-L579 PolarHBondContact O-N 2.87Å
578G84.5Confident92Very high65 Ų6553.1 Ų53.167%0.6731%0.314SS*.THydrogen-bonded Turntrans64.721.3-176.900000114.1F574 L575 Q576F574-G578 PolarHBondContact O-N 3.36Å; L575-G578 PolarHBondContact O-N 2.98Å; Q576-G578 PolarHBondContact O-N 2.97Å
579L86.4Confident91.9Very high30 Ų3053.5 Ų53.516%0.15732%0.318CS..SBendtrans-83.7-30.8-176.2-61.2172.7000112.3V475 V486 Q489 R490 F574 A577V475-L579 WeakPolarHBondContact CG2-O 3.33Å; V486-L579 HydrophobicContact CG1-CB 4.18Å; Q489-L579 HydrophobicContact CB-CD1 3.87Å; Q489-L579 HydrophobicContact CB-CD2 3.55Å; Q489-L579 HydrophobicContact CB-CG 4.38Å; Q489-L579 HydrophobicContact CG-CD2 4.3Å; R490-L579 HydrophobicContact CB-CD1 3.94Å; R490-L579 VanDerWaalsContact N-CD1 3.33Å; F574-L579 HydrophobicContact CD1-CD1 4.43Å; F574-L579 PolarHBondContact O-N 2.87Å; A577-L579 HydrophobicContact CB-CD1 3.68Å; A577-L579 HydrophobicContact CB-CG 3.67Å; A577-L579 PolarHBondContact O-N 2.87Å
580V87.6Confident91.9Very high7 Ų751.3 Ų51.34%0.04232%0.315CS..SBendtrans-131.3150.9172.5-56.50000108.8V486 F574 L575 V585V486-V580 HydrophobicContact CG1-CG1 4.21Å; F574-V580 HydrophobicContact CB-CB 4.43Å; F574-V580 HydrophobicContact CB-CG1 4.28Å; F574-V580 HydrophobicContact CB-CG2 3.43Å; F574-V580 VanDerWaalsContact CB-CG2 3.43Å; F574-V580 PolarHBondContact O-N 3.34Å; L575-V580 HydrophobicContact CD2-CG2 4.32Å; L575-V580 WeakPolarHBondContact CD2-O 3.36Å; L575-V580 HydrophobicContact CG-CG2 4.38Å; V580-V585 HydrophobicContact CB-CG2 4.45Å; V580-V585 HydrophobicContact CG2-CG2 3.66Å
581S88.4Confident91.9Very high44 Ų4451.1 Ų51.131%0.30831%0.311SS..  trans-97.7161.1173.864.50000111.5Q584 V585S581-Q584 WeakPolarHBondContact O-CB 3.35Å; S581-Q584 PolarHBondContact O-N 2.69Å; S581-Q584 WeakPolarHBondContact OG-CG 3.44Å; S581-Q584 PolarHBondContact OG-N 3.06Å; S581-Q584 PolarHBondContact OG-OE1 2.85Å; S581-V585 PolarHBondContact O-N 3.35Å
582V91.9Very high92Very high92 Ų9249.5 Ų49.556%0.55830%0.3SS*.Hα-helixtrans-54.8-44.8175.7176.90000112.2L575 Q584 V585 L586L575-V582 HydrophobicContact CD2-CG2 3.84Å; V582-Q584 VanDerWaalsContact C-N 3.31Å; V582-Q584 PolarHBondContact O-N 3.02Å; V582-V585 PolarHBondContact O-N 2.83Å; V582-L586 HydrophobicContact CG1-CD1 4.46Å; V582-L586 WeakPolarHBondContact O-CG 3.21Å; V582-L586 PolarHBondContact O-N 2.99Å
583P92.3Very high92.1Very high79 Ų7952.3 Ų52.351%0.51330%0.299SS..Hα-helixtrans-58.1-39.5173.8-26.536.2000113.8L586 Q587P583-L586 PolarHBondContact O-N 3.27Å; P583-Q587 WeakPolarHBondContact O-CG 3.43Å; P583-Q587 PolarHBondContact O-N 2.68Å
584Q90.3Very high92.3Very high39 Ų3955.5 Ų55.518%0.18231%0.314CS..Hα-helixtrans-66.7-37.6176.6-74167.1-58.800112S581 V582 L586 Q587 I588S581-Q584 WeakPolarHBondContact O-CB 3.35Å; S581-Q584 PolarHBondContact O-N 2.69Å; S581-Q584 WeakPolarHBondContact OG-CG 3.44Å; S581-Q584 PolarHBondContact OG-N 3.06Å; S581-Q584 PolarHBondContact OG-OE1 2.85Å; V582-Q584 VanDerWaalsContact C-N 3.31Å; V582-Q584 PolarHBondContact O-N 3.02Å; Q584-L586 VanDerWaalsContact C-N 3.33Å; Q584-L586 PolarHBondContact O-N 3.49Å; Q584-Q587 PolarHBondContact O-N 2.93Å; Q584-I588 WeakPolarHBondContact O-CB 3.34Å; Q584-I588 VanDerWaalsContact O-CG1 3.25Å; Q584-I588 WeakPolarHBondContact O-CG1 3.46Å; Q584-I588 PolarHBondContact O-N 2.85Å
585V93.1Very high92.6Very high19 Ų1955.5 Ų55.512%0.11531%0.314CS..Hα-helixtrans-63.9-39.3174.6175.90000111.4L575 V580 S581 V582 I588 S589L575-V585 HydrophobicContact CD2-CG2 4.29Å; L575-V585 HydrophobicContact CG-CG2 4.47Å; V580-V585 HydrophobicContact CB-CG2 4.45Å; V580-V585 HydrophobicContact CG2-CG2 3.66Å; S581-V585 PolarHBondContact O-N 3.35Å; V582-V585 PolarHBondContact O-N 2.83Å; V585-I588 PolarHBondContact O-N 3.47Å; V585-S589 PolarHBondContact O-N 2.63Å; V585-S589 PolarHBondContact O-OG 3.21Å
586L94.1Very high93Very high110 Ų11052.5 Ų52.558%0.57630%0.298SS*.Hα-helixtrans-65.5-41.7173.9-66.6175.1000111.6V582 P583 Q584 S589 V590V582-L586 HydrophobicContact CG1-CD1 4.46Å; V582-L586 WeakPolarHBondContact O-CG 3.21Å; V582-L586 PolarHBondContact O-N 2.99Å; P583-L586 PolarHBondContact O-N 3.27Å; Q584-L586 VanDerWaalsContact C-N 3.33Å; Q584-L586 PolarHBondContact O-N 3.49Å; L586-S589 WeakPolarHBondContact O-CB 3.39Å; L586-S589 PolarHBondContact O-N 3.09Å; L586-V590 PolarHBondContact O-N 3.02Å; L586-V590 VanDerWaalsContact O-N 3.09Å
587Q94.9Very high93.5Very high108 Ų10850.3 Ų50.351%0.50530%0.296SS..Hα-helixtrans-61.8-43.4173.9-73.2171.7-9.200111.9I477 P583 Q584 S589 V590 R591I477-Q587 HydrophobicContact CD1-CB 3.83Å; P583-Q587 WeakPolarHBondContact O-CG 3.43Å; P583-Q587 PolarHBondContact O-N 2.68Å; Q584-Q587 PolarHBondContact O-N 2.93Å; Q587-S589 VanDerWaalsContact C-N 3.27Å; Q587-S589 PolarHBondContact O-N 3.34Å; Q587-V590 PolarHBondContact O-N 3.35Å; Q587-R591 WeakPolarHBondContact O-CB 3.37Å; Q587-R591 PolarHBondContact O-N 2.89Å
588I95.6Very high94.1Very high1 Ų153 Ų531%0.00530%0.303CS..Hα-helixtrans-57.8-42.5173.8-73.6168000110.5I477 M564 I567 Q584 V585 V590 R591 I592I477-I588 HydrophobicContact CB-CG1 4.19Å; I477-I588 HydrophobicContact CD1-CG1 4.26Å; I477-I588 HydrophobicContact CG2-CD1 4.05Å; I477-I588 HydrophobicContact CG2-CG1 3.94Å; M564-I588 HydrophobicContact CB-CG2 3.75Å; M564-I588 HydrophobicContact CG-CG2 3.98Å; M564-I588 HydrophobicContact SD-CG2 4.48Å; I567-I588 HydrophobicContact CB-CD1 4.47Å; I567-I588 HydrophobicContact CD1-CD1 4.21Å; I567-I588 HydrophobicContact CG2-CD1 3.81Å; Q584-I588 WeakPolarHBondContact O-CB 3.34Å; Q584-I588 VanDerWaalsContact O-CG1 3.25Å; Q584-I588 WeakPolarHBondContact O-CG1 3.46Å; Q584-I588 PolarHBondContact O-N 2.85Å; V585-I588 PolarHBondContact O-N 3.47Å; I588-V590 VanDerWaalsContact C-N 3.32Å; I588-V590 PolarHBondContact O-N 2.94Å; I588-R591 PolarHBondContact O-N 3.34Å; I588-I592 HydrophobicContact CG2-CD1 4.04Å; I588-I592 HydrophobicContact CG2-CG1 4.43Å; I588-I592 WeakPolarHBondContact O-CG1 3.43Å; I588-I592 PolarHBondContact O-N 2.94Å
589S95.3Very high94.8Very high41 Ų4150 Ų5029%0.28727%0.271SS..Hα-helixtrans-63.6-36.4178.5-58.90000112.8V585 L586 Q587V585-S589 PolarHBondContact O-N 2.63Å; V585-S589 PolarHBondContact O-OG 3.21Å; L586-S589 WeakPolarHBondContact O-CB 3.39Å; L586-S589 PolarHBondContact O-N 3.09Å; Q587-S589 VanDerWaalsContact C-N 3.27Å; Q587-S589 PolarHBondContact O-N 3.34Å
590V96.8Very high95.4Very high81 Ų8149.7 Ų49.749%0.49127%0.268SS..Hα-helixtrans-68.3-47.2172.2174.60000110.3L586 Q587 I588 I592 K593 E594L586-V590 PolarHBondContact O-N 3.02Å; L586-V590 VanDerWaalsContact O-N 3.09Å; Q587-V590 PolarHBondContact O-N 3.35Å; I588-V590 VanDerWaalsContact C-N 3.32Å; I588-V590 PolarHBondContact O-N 2.94Å; V590-I592 VanDerWaalsContact C-N 3.3Å; V590-I592 PolarHBondContact O-N 3.42Å; V590-K593 WeakPolarHBondContact O-CB 3.45Å; V590-K593 PolarHBondContact O-N 3.2Å; V590-E594 PolarHBondContact O-N 3.4Å
591R97.4Very high95.9Very high42 Ų4251.6 Ų51.616%0.15828%0.281CS..Hα-helixtrans-61.8-36.5-178.5-171.957.4-179.8132.613.5112.6N478 M564 Q587 I588 K593 E594 L595 Q598N478-R591 PolarHBondContact OD1-NE 3.24Å; M564-R591 HydrophobicContact CE-CB 4.36Å; M564-R591 HydrophobicContact CE-CG 3.58Å; M564-R591 HydrophobicContact SD-CB 3.98Å; M564-R591 HydrophobicContact SD-CG 3.61Å; Q587-R591 WeakPolarHBondContact O-CB 3.37Å; Q587-R591 PolarHBondContact O-N 2.89Å; I588-R591 PolarHBondContact O-N 3.34Å; R591-K593 VanDerWaalsContact C-N 3.31Å; R591-K593 PolarHBondContact O-N 3.23Å; R591-E594 WeakPolarHBondContact CD-OE2 3.45Å; R591-E594 IonicContact CZ-OE2 3.55Å; R591-E594 IonicContact NE-OE2 3.66Å; R591-E594 IonicContact NH1-OE2 2.81Å; R591-E594 PolarHBondContact NH1-OE2 2.89Å; R591-E594 WeakPolarHBondContact O-CB 3.34Å; R591-E594 PolarHBondContact O-N 3.45Å; R591-L595 HydrophobicContact CG-CD1 4.4Å; R591-L595 WeakPolarHBondContact O-CG 3.38Å; R591-L595 PolarHBondContact O-N 2.87Å; R591-Q598 VanDerWaalsContact NH1-NE2 3.16Å
592I98.3Very high96.4Very high3 Ų350 Ų502%0.01527%0.269CS..Hα-helixtrans-55.6-46.7172.3-74.1167.5000110.5Y329 L561 M564 T568 I588 V590 E594 L595 L596Y329-I592 HydrophobicContact CD2-CG2 4.04Å; Y329-I592 HydrophobicContact CE2-CG2 3.93Å; L561-I592 HydrophobicContact CD1-CB 4.46Å; L561-I592 HydrophobicContact CD1-CG1 4.28Å; L561-I592 HydrophobicContact CD1-CG2 3.87Å; M564-I592 HydrophobicContact CB-CD1 4.11Å; M564-I592 HydrophobicContact CB-CG1 3.83Å; T568-I592 WeakPolarHBondContact OG1-CD1 3.31Å; I588-I592 HydrophobicContact CG2-CD1 4.04Å; I588-I592 HydrophobicContact CG2-CG1 4.43Å; I588-I592 WeakPolarHBondContact O-CG1 3.43Å; I588-I592 PolarHBondContact O-N 2.94Å; V590-I592 VanDerWaalsContact C-N 3.3Å; V590-I592 PolarHBondContact O-N 3.42Å; I592-E594 VanDerWaalsContact C-N 3.28Å; I592-E594 PolarHBondContact O-N 3.28Å; I592-L595 PolarHBondContact O-N 2.93Å; I592-L595 VanDerWaalsContact O-N 3.15Å; I592-L596 HydrophobicContact CG2-CG 4.36Å; I592-L596 WeakPolarHBondContact O-CG 3.11Å; I592-L596 PolarHBondContact O-N 3.3Å
593K98.2Very high96.7Very high103 Ų10345.7 Ų45.745%0.44824%0.243SC..Hα-helixtrans-62-36.8-179.9-64174.2179.2-179.60112.1V590 R591 L596 S597V590-K593 WeakPolarHBondContact O-CB 3.45Å; V590-K593 PolarHBondContact O-N 3.2Å; R591-K593 VanDerWaalsContact C-N 3.31Å; R591-K593 PolarHBondContact O-N 3.23Å; K593-L596 PolarHBondContact O-N 3.29Å; K593-S597 PolarHBondContact O-N 2.99Å; K593-S597 PolarHBondContact O-OG 3.25Å
594E98.2Very high97Very high87 Ų8741.9 Ų41.941%0.40722%0.218SC..Hα-helixtrans-66.4-44.5174.2-62170-175.100111.6V590 R591 I592 L596 S597 Q598V590-E594 PolarHBondContact O-N 3.4Å; R591-E594 WeakPolarHBondContact CD-OE2 3.45Å; R591-E594 IonicContact CZ-OE2 3.55Å; R591-E594 IonicContact NE-OE2 3.66Å; R591-E594 IonicContact NH1-OE2 2.81Å; R591-E594 PolarHBondContact NH1-OE2 2.89Å; R591-E594 WeakPolarHBondContact O-CB 3.34Å; R591-E594 PolarHBondContact O-N 3.45Å; I592-E594 VanDerWaalsContact C-N 3.28Å; I592-E594 PolarHBondContact O-N 3.28Å; E594-L596 VanDerWaalsContact C-N 3.28Å; E594-L596 PolarHBondContact O-N 3Å; E594-S597 PolarHBondContact O-N 3.47Å; E594-Q598 VanDerWaalsContact O-CG 3.31Å; E594-Q598 WeakPolarHBondContact O-CG 3.36Å; E594-Q598 PolarHBondContact O-N 3Å
595L98.5Very high97.5Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-61.7-36.4176.2-66.9171000111.5T557 L560 L561 M564 R591 I592 Q598 L599T557-L595 HydrophobicContact CG2-CD2 3.68Å; L560-L595 HydrophobicContact CB-CD1 4.1Å; L561-L595 HydrophobicContact CB-CD1 4.2Å; L561-L595 HydrophobicContact CD1-CB 4.46Å; M564-L595 HydrophobicContact CE-CD1 4.48Å; M564-L595 HydrophobicContact SD-CD1 3.66Å; R591-L595 HydrophobicContact CG-CD1 4.4Å; R591-L595 WeakPolarHBondContact O-CG 3.38Å; R591-L595 PolarHBondContact O-N 2.87Å; I592-L595 PolarHBondContact O-N 2.93Å; I592-L595 VanDerWaalsContact O-N 3.15Å; L595-Q598 PolarHBondContact O-N 3.35Å; L595-L599 WeakPolarHBondContact O-CB 3.34Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.16Å
596L98.8Very high97.7Very high0 Ų039.2 Ų39.20%020%0.204CC..Hα-helixtrans-59.8-48.5173.7-65-179.2000111.3Q325 Q328 Y329 F332 L561 I592 K593 E594 Q598 L599 R600Q325-L596 HydrophobicContact CG-CD1 4.17Å; Q328-L596 HydrophobicContact CB-CB 4.21Å; Q328-L596 HydrophobicContact CB-CD1 4.15Å; Q328-L596 HydrophobicContact CB-CD2 4.32Å; Q328-L596 HydrophobicContact CB-CG 4.45Å; Y329-L596 HydrophobicContact CD2-CD1 4.1Å; Y329-L596 HydrophobicContact CG-CD1 4.5Å; F332-L596 HydrophobicContact CB-CD2 3.73Å; F332-L596 HydrophobicContact CD2-CB 4.27Å; F332-L596 HydrophobicContact CD2-CD2 3.76Å; F332-L596 WeakPolarHBondContact CE2-O 3.49Å; F332-L596 HydrophobicContact CG-CD2 4.18Å; L561-L596 HydrophobicContact CD1-CD2 4.37Å; L561-L596 HydrophobicContact CD2-CD2 4.11Å; I592-L596 HydrophobicContact CG2-CG 4.36Å; I592-L596 WeakPolarHBondContact O-CG 3.11Å; I592-L596 PolarHBondContact O-N 3.3Å; K593-L596 PolarHBondContact O-N 3.29Å; E594-L596 VanDerWaalsContact C-N 3.28Å; E594-L596 PolarHBondContact O-N 3Å; L596-Q598 VanDerWaalsContact C-N 3.31Å; L596-Q598 PolarHBondContact O-N 2.88Å; L596-L599 PolarHBondContact O-N 3.38Å; L596-R600 PolarHBondContact O-N 3.24Å
597S98.3Very high98Very high74 Ų7434 Ų3452%0.51718%0.177SC..Hα-helixtrans-62.9-36.6176.5-59.70000112.6K593 E594 P601K593-S597 PolarHBondContact O-N 2.99Å; K593-S597 PolarHBondContact O-OG 3.25Å; E594-S597 PolarHBondContact O-N 3.47Å; S597-P601 WeakPolarHBondContact O-CD 3.41Å
598Q98.1Very high98.1Very high88 Ų8829.4 Ų29.441%0.41116%0.156SC..Hα-helixtrans-67.2-35.4176.4-70.5177.419.300112.5T557 R591 E594 L595 L596 P601T557-Q598 HydrophobicContact CG2-CB 4.26Å; R591-Q598 VanDerWaalsContact NH1-NE2 3.16Å; E594-Q598 VanDerWaalsContact O-CG 3.31Å; E594-Q598 WeakPolarHBondContact O-CG 3.36Å; E594-Q598 PolarHBondContact O-N 3Å; L595-Q598 PolarHBondContact O-N 3.35Å; L596-Q598 VanDerWaalsContact C-N 3.31Å; L596-Q598 PolarHBondContact O-N 2.88Å; Q598-P601 WeakPolarHBondContact O-CD 3.45Å
599L98.6Very high98.3Very high1 Ų129.4 Ų29.41%0.00516%0.156CC..Hα-helixtrans-82.5-26.6179.4-71.4168.1000113.4F332 V554 T557 L558 L561 L595 L596 N602 A603 L606F332-L599 HydrophobicContact CB-CD1 4.4Å; F332-L599 HydrophobicContact CD2-CB 3.97Å; F332-L599 HydrophobicContact CE2-CB 4.26Å; V554-L599 HydrophobicContact CG2-CD2 4.19Å; T557-L599 HydrophobicContact CG2-CD1 4.17Å; T557-L599 HydrophobicContact CG2-CD2 3.7Å; T557-L599 HydrophobicContact CG2-CG 3.66Å; L558-L599 HydrophobicContact CD2-CD1 3.83Å; L558-L599 HydrophobicContact CD2-CD2 3.7Å; L558-L599 HydrophobicContact CD2-CG 4.42Å; L558-L599 HydrophobicContact CG-CD2 3.94Å; L561-L599 HydrophobicContact CB-CD1 4.41Å; L561-L599 HydrophobicContact CD2-CD1 3.47Å; L561-L599 VanDerWaalsContact CD2-CD1 3.47Å; L595-L599 WeakPolarHBondContact O-CB 3.34Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.16Å; L596-L599 PolarHBondContact O-N 3.38Å; L599-N602 CarbonylContact O-C 3.48Å; L599-N602 WeakPolarHBondContact O-CA 3.44Å; L599-N602 PolarHBondContact O-N 3.47Å; L599-A603 PolarHBondContact O-N 2.78Å; L599-L606 HydrophobicContact CD2-CD1 4.05Å
600R98.7Very high98.4Very high25 Ų2528.8 Ų28.89%0.09415%0.148CC..G310 helixtrans-46.5-48.8-178.7176.761.4-174.283.9-1.4114.9E8 L322 D323 F332 L596 N602 A603E8-R600 IonicContact OE1-CZ 2.76Å; E8-R600 IonicContact OE1-NH1 3.83Å; E8-R600 PolarHBondContact OE1-NH1 2.87Å; E8-R600 IonicContact OE1-NH2 2.84Å; E8-R600 PolarHBondContact OE1-NH2 2.93Å; E8-R600 IonicContact OE2-CZ 2.86Å; E8-R600 IonicContact OE2-NH1 2.66Å; E8-R600 PolarHBondContact OE2-NH1 3.32Å; E8-R600 IonicContact OE2-NH2 3.36Å; L322-R600 WeakPolarHBondContact O-CD 3.23Å; L322-R600 PolarHBondContact O-NE 3.46Å; D323-R600 IonicContact OD1-CZ 2.77Å; D323-R600 IonicContact OD1-NE 3.46Å; D323-R600 PolarHBondContact OD1-NE 2.65Å; D323-R600 IonicContact OD1-NH2 3.44Å; D323-R600 PolarHBondContact OD1-NH2 3.18Å; F332-R600 HydrophobicContact CE2-CB 4.06Å; F332-R600 HydrophobicContact CZ-CB 4.33Å; L596-R600 PolarHBondContact O-N 3.24Å; R600-N602 PolarHBondContact O-N 3.4Å; R600-A603 PolarHBondContact O-N 3.2Å
601P98.6Very high98.5Very high47 Ų4726.6 Ų26.631%0.30513%0.134SC..G310 helixtrans-70.2-18.4178.927.5-36.1000113.7N11 S597 Q598N11-P601 HydrophobicContact CB-CB 4.16Å; S597-P601 WeakPolarHBondContact O-CD 3.41Å; Q598-P601 WeakPolarHBondContact O-CD 3.45Å
602N98.8Very high98.5Very high11 Ų1125.8 Ų25.86%0.05913%0.133CC..G310 helixtrans-100.1-6.6-178.1-75.8-54.2000113.2A12 S13 F14 V554 L599 R600 V604 A605 L606A12-N602 WeakPolarHBondContact CA-OD1 3.42Å; S13-N602 PolarHBondContact N-OD1 2.89Å; S13-N602 PolarHBondContact OG-ND2 3.28Å; S13-N602 PolarHBondContact OG-OD1 2.78Å; F14-N602 WeakPolarHBondContact CD1-OD1 3.45Å; F14-N602 HydrophobicContact CE1-CB 4.05Å; V554-N602 HydrophobicContact CG2-CB 4.13Å; L599-N602 CarbonylContact O-C 3.48Å; L599-N602 WeakPolarHBondContact O-CA 3.44Å; L599-N602 PolarHBondContact O-N 3.47Å; R600-N602 PolarHBondContact O-N 3.4Å; N602-V604 PolarHBondContact O-N 3.18Å; N602-A605 PolarHBondContact O-N 3.25Å; N602-L606 HydrophobicContact CB-CD1 4.1Å; N602-L606 HydrophobicContact CB-CG 4.35Å; N602-L606 WeakPolarHBondContact O-CB 3.44Å; N602-L606 VanDerWaalsContact O-CG 3.28Å; N602-L606 WeakPolarHBondContact O-CG 3.3Å; N602-L606 PolarHBondContact O-N 2.86Å
603A98.8Very high98.4Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-59.7-45.2-167.800000113.2I301 L322 F332 L599 R600 V607I301-A603 HydrophobicContact CG2-CB 3.93Å; L322-A603 HydrophobicContact CD2-CB 4.31Å; F332-A603 HydrophobicContact CD1-CB 4.41Å; F332-A603 HydrophobicContact CE1-CB 3.47Å; F332-A603 VanDerWaalsContact CE1-CB 3.47Å; F332-A603 HydrophobicContact CZ-CB 3.69Å; L599-A603 PolarHBondContact O-N 2.78Å; R600-A603 PolarHBondContact O-N 3.2Å; A603-V607 PolarHBondContact O-N 3.31Å
604V98.9Very high98.2Very high0 Ų026.5 Ų26.50%014%0.138CC..Hα-helixtrans-68.2-44.3177.7175.60000111.1I5 E8 R9 I301 A305 N602 L606 V607 D608I5-V604 HydrophobicContact CD1-CG1 4.36Å; I5-V604 HydrophobicContact CG1-CG1 3.85Å; E8-V604 HydrophobicContact CB-CB 3.75Å; E8-V604 HydrophobicContact CB-CG1 4.31Å; E8-V604 HydrophobicContact CB-CG2 3.5Å; E8-V604 HydrophobicContact CG-CG2 3.82Å; R9-V604 HydrophobicContact CG-CG1 3.94Å; I301-V604 HydrophobicContact CG2-CG2 4.33Å; A305-V604 HydrophobicContact CB-CG2 3.85Å; N602-V604 PolarHBondContact O-N 3.18Å; V604-L606 VanDerWaalsContact C-N 3.3Å; V604-L606 PolarHBondContact O-N 2.91Å; V604-V607 WeakPolarHBondContact O-CG2 3.49Å; V604-V607 PolarHBondContact O-N 3.18Å; V604-D608 WeakPolarHBondContact O-CB 3.32Å; V604-D608 VanDerWaalsContact O-CG 3.32Å; V604-D608 PolarHBondContact O-N 2.77Å
605A98.8Very high97.9Very high1 Ų127.7 Ų27.71%0.00814%0.142CC..Hα-helixtrans-60.7-38.5177.400000112.5A12 F14 V16 N602 V607 D608 A609A12-A605 HydrophobicContact CB-CB 3.52Å; F14-A605 HydrophobicContact CE1-CB 3.89Å; F14-A605 HydrophobicContact CZ-CB 3.78Å; V16-A605 HydrophobicContact CG2-CB 3.75Å; N602-A605 PolarHBondContact O-N 3.25Å; A605-V607 PolarHBondContact O-N 2.68Å; A605-D608 PolarHBondContact O-N 3.26Å; A605-A609 PolarHBondContact O-N 2.97Å
606L98.9Very high97.6Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-66-34.5176.6-76.2168.2000112.7F14 L19 L335 Y339 V554 L558 L599 N602 V604F14-L606 HydrophobicContact CE1-CD2 3.97Å; F14-L606 HydrophobicContact CE1-CG 3.96Å; F14-L606 HydrophobicContact CZ-CD2 3.69Å; F14-L606 HydrophobicContact CZ-CG 3.88Å; L19-L606 HydrophobicContact CD2-CD2 3.96Å; L335-L606 HydrophobicContact CD1-CB 4.47Å; L335-L606 HydrophobicContact CD2-CB 3.86Å; L335-L606 HydrophobicContact CD2-CD1 3.84Å; Y339-L606 HydrophobicContact CE2-CB 4.4Å; Y339-L606 HydrophobicContact CE2-CD2 4.26Å; Y339-L606 PolarHBondContact OH-O 3.04Å; V554-L606 HydrophobicContact CG1-CD2 4.19Å; V554-L606 HydrophobicContact CG2-CD1 3.95Å; V554-L606 HydrophobicContact CG2-CD2 3.93Å; V554-L606 HydrophobicContact CG2-CG 4.24Å; L558-L606 HydrophobicContact CD1-CD1 4.13Å; L558-L606 HydrophobicContact CD1-CD2 3.9Å; L558-L606 HydrophobicContact CD2-CD1 4.19Å; L558-L606 HydrophobicContact CG-CD1 4.39Å; L599-L606 HydrophobicContact CD2-CD1 4.05Å; N602-L606 HydrophobicContact CB-CD1 4.1Å; N602-L606 HydrophobicContact CB-CG 4.35Å; N602-L606 WeakPolarHBondContact O-CB 3.44Å; N602-L606 VanDerWaalsContact O-CG 3.28Å; N602-L606 WeakPolarHBondContact O-CG 3.3Å; N602-L606 PolarHBondContact O-N 2.86Å; V604-L606 VanDerWaalsContact C-N 3.3Å; V604-L606 PolarHBondContact O-N 2.91Å
607V98.9Very high97.4Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-82.7-23.9174.2-64.60000113.3C297 T298 I301 R302 L335 A603 V604 A605 A609 F610C297-V607 HydrophobicContact CB-CG1 4.44Å; T298-V607 HydrophobicContact CG2-CB 4.28Å; T298-V607 HydrophobicContact CG2-CG2 4.45Å; T298-V607 PolarHBondContact OG1-O 3.09Å; I301-V607 HydrophobicContact CB-CG1 4.11Å; I301-V607 HydrophobicContact CB-CG2 4.35Å; I301-V607 HydrophobicContact CD1-CG1 3.65Å; I301-V607 HydrophobicContact CG1-CG1 4.4Å; I301-V607 HydrophobicContact CG2-CG1 4.33Å; I301-V607 HydrophobicContact CG2-CG2 4.11Å; R302-V607 HydrophobicContact CG-CG2 4.13Å; L335-V607 HydrophobicContact CD1-CG1 3.72Å; A603-V607 PolarHBondContact O-N 3.31Å; V604-V607 WeakPolarHBondContact O-CG2 3.49Å; V604-V607 PolarHBondContact O-N 3.18Å; A605-V607 PolarHBondContact O-N 2.68Å; V607-A609 VanDerWaalsContact C-N 3.34Å; V607-F610 HydrophobicContact CB-CD2 4.41Å; V607-F610 HydrophobicContact CG1-CE2 4.43Å
608D98.8Very high97.3Very high12 Ų1227.1 Ų27.16%0.06413%0.133CC..Hα-helixtrans-71.4-30.3172.1-74.6-13.6000111.7R9 V16 R302 V604 A605 F610 D611R9-D608 IonicContact CZ-OD2 3.77Å; R9-D608 IonicContact NE-OD2 3.24Å; R9-D608 PolarHBondContact NE-OD2 2.7Å; R9-D608 IonicContact NH2-OD1 3.48Å; R9-D608 PolarHBondContact NH2-OD1 2.72Å; R9-D608 IonicContact NH2-OD2 2.74Å; R9-D608 PolarHBondContact NH2-OD2 3.21Å; R9-D608 VanDerWaalsContact NH2-OD2 3.13Å; V16-D608 HydrophobicContact CG1-CB 4.14Å; R302-D608 IonicContact CZ-OD1 3.65Å; R302-D608 VanDerWaalsContact CZ-OD1 3.24Å; R302-D608 IonicContact NE-OD1 2.71Å; R302-D608 PolarHBondContact NE-OD1 3.13Å; R302-D608 IonicContact NH2-OD1 3.72Å; R302-D608 PolarHBondContact NH2-OD1 3.1Å; V604-D608 WeakPolarHBondContact O-CB 3.32Å; V604-D608 VanDerWaalsContact O-CG 3.32Å; V604-D608 PolarHBondContact O-N 2.77Å; A605-D608 PolarHBondContact O-N 3.26Å; D608-F610 PolarHBondContact O-N 3.41Å; D608-D611 WeakPolarHBondContact O-CA 3.49Å; D608-D611 PolarHBondContact O-N 3Å
609A98.8Very high97.3Very high1 Ų123.2 Ų23.21%0.00812%0.115CC..THydrogen-bonded Turntrans-65.5-16.6175.700000114.1V16 L19 T20 L23 A605 V607 D611V16-A609 HydrophobicContact CG1-CB 3.98Å; L19-A609 HydrophobicContact CB-CB 4Å; L19-A609 HydrophobicContact CD2-CB 3.68Å; L19-A609 HydrophobicContact CG-CB 3.76Å; T20-A609 PolarHBondContact OG1-O 3.5Å; T20-A609 VanDerWaalsContact OG1-O 3.11Å; L23-A609 WeakPolarHBondContact CD1-O 3.37Å; A605-A609 PolarHBondContact O-N 2.97Å; V607-A609 VanDerWaalsContact C-N 3.34Å; A609-D611 PolarHBondContact O-N 3.43Å
610F98.6Very high97.3Very high28 Ų2824 Ų2412%0.12312%0.12CC..THydrogen-bonded Turntrans-69.8-12.3168.2-64.5-52.8000112.8L23 S294 L335 A338 Y339 V607 D608 I612L23-F610 HydrophobicContact CD1-CD1 3.88Å; L23-F610 HydrophobicContact CD1-CE1 4.25Å; S294-F610 WeakPolarHBondContact OG-CD1 3.36Å; S294-F610 WeakPolarHBondContact OG-CE1 3.38Å; S294-F610 VanDerWaalsContact OG-CZ 3.22Å; S294-F610 WeakPolarHBondContact OG-CZ 3.36Å; L335-F610 HydrophobicContact CD1-CE2 3.89Å; L335-F610 HydrophobicContact CD1-CZ 4.23Å; A338-F610 HydrophobicContact CB-CE2 4.48Å; A338-F610 HydrophobicContact CB-CZ 3.88Å; Y339-F610 HydrophobicContact CD2-CE1 4.24Å; Y339-F610 AromaticContact CD2-CZ 3.74Å; Y339-F610 HydrophobicContact CD2-CZ 3.74Å; Y339-F610 HydrophobicContact CE1-CE1 4.25Å; Y339-F610 AromaticContact CE2-CE1 3.89Å; Y339-F610 HydrophobicContact CE2-CE1 3.89Å; Y339-F610 HydrophobicContact CE2-CE2 4.09Å; Y339-F610 AromaticContact CE2-CZ 3.38Å; Y339-F610 HydrophobicContact CE2-CZ 3.38Å; Y339-F610 HydrophobicContact CG-CZ 4.45Å; Y339-F610 AromaticContact CZ-CE1 3.89Å; Y339-F610 AromaticContact CZ-CZ 3.84Å; V607-F610 HydrophobicContact CB-CD2 4.41Å; V607-F610 HydrophobicContact CG1-CE2 4.43Å; D608-F610 PolarHBondContact O-N 3.41Å; F610-I612 HydrophobicContact CB-CD1 3.76Å; F610-I612 HydrophobicContact CB-CG1 3.87Å; F610-I612 PolarHBondContact O-N 3.13Å
611D98.1Very high97.3Very high36 Ų3622.9 Ų22.919%0.19312%0.116CC..  trans54.138.5173.8-164.253.7000113.5T20 R33 R34 D608 A609 H613T20-D611 HydrophobicContact CG2-CB 3.68Å; R33-D611 IonicContact CZ-OD2 3.21Å; R33-D611 VanDerWaalsContact CZ-OD2 3.26Å; R33-D611 IonicContact NH1-OD2 2.78Å; R33-D611 PolarHBondContact NH1-OD2 3.38Å; R33-D611 IonicContact NH2-OD2 2.62Å; R33-D611 PolarHBondContact NH2-OD2 3.37Å; R34-D611 IonicContact CZ-OD1 3.19Å; R34-D611 IonicContact CZ-OD2 2.82Å; R34-D611 IonicContact NE-OD1 3.27Å; R34-D611 PolarHBondContact NE-OD1 3.32Å; R34-D611 IonicContact NE-OD2 2.7Å; R34-D611 PolarHBondContact NE-OD2 2.82Å; R34-D611 VanDerWaalsContact NH2-CG 3.28Å; R34-D611 IonicContact NH2-OD1 2.65Å; R34-D611 PolarHBondContact NH2-OD1 2.9Å; R34-D611 IonicContact NH2-OD2 2.82Å; R34-D611 PolarHBondContact NH2-OD2 3.48Å; D608-D611 WeakPolarHBondContact O-CA 3.49Å; D608-D611 PolarHBondContact O-N 3Å; A609-D611 PolarHBondContact O-N 3.43Å; D611-H613 PolarHBondContact O-N 3.17Å
612I97Very high97.2Very high25 Ų2520.6 Ų20.613%0.12810%0.101CC..  trans-85.9109.7-178.3-53.9161.5000109.2K295 F610 K616 L617K295-I612 HydrophobicContact CB-CD1 4.49Å; K295-I612 HydrophobicContact CG-CD1 3.87Å; K295-I612 HydrophobicContact CG-CG2 4.49Å; F610-I612 HydrophobicContact CB-CD1 3.76Å; F610-I612 HydrophobicContact CB-CG1 3.87Å; F610-I612 PolarHBondContact O-N 3.13Å; I612-K616 HydrophobicContact CG2-CB 4.34Å; I612-K616 HydrophobicContact CG2-CG 4.17Å; I612-L617 HydrophobicContact CG2-CB 4.02Å; I612-L617 HydrophobicContact CG2-CD1 4.01Å
613H95.4Very high97.2Very high88 Ų8823.2 Ų23.241%0.40711%0.11SC..  trans-63.9146.4176.3-168.4-91.2000112.6F41 D611 K615 K616 L617F41-H613 AromaticContact CD2-CE1 3.94Å; F41-H613 AromaticContact CD2-ND1 3.74Å; F41-H613 HydrophobicContact CE2-CB 3.57Å; F41-H613 AromaticContact CE2-CD2 4Å; F41-H613 AromaticContact CE2-CE1 3.98Å; F41-H613 AromaticContact CE2-CG 3.36Å; F41-H613 AromaticContact CE2-ND1 3.33Å; F41-H613 VanDerWaalsContact CE2-ND1 3.33Å; F41-H613 WeakPolarHBondContact CE2-ND1 3.28Å; F41-H613 HydrophobicContact CZ-CB 3.89Å; F41-H613 AromaticContact CZ-CG 3.98Å; F41-H613 AromaticContact CZ-ND1 3.76Å; D611-H613 PolarHBondContact O-N 3.17Å; H613-K615 VanDerWaalsContact C-N 3.31Å; H613-K615 PolarHBondContact ND1-N 3.26Å; H613-K615 PolarHBondContact O-N 3.11Å; H613-K616 WeakPolarHBondContact O-CA 3.48Å; H613-K616 WeakPolarHBondContact O-CB 3.46Å; H613-K616 PolarHBondContact O-N 3.41Å; H613-L617 PolarHBondContact O-N 2.65Å
614D94.8Very high97.2Very high33 Ų3328.2 Ų28.218%0.17613%0.13CC..Hα-helixtrans-59.9-36.4-175.9-79.7-3.4000113.3R302 K616 L617 N618 Y624R302-D614 IonicContact NH1-OD1 3.35Å; D614-K616 PolarHBondContact O-N 3.42Å; D614-L617 PolarHBondContact O-N 3.26Å; D614-N618 WeakPolarHBondContact O-CA 3.44Å; D614-N618 PolarHBondContact O-N 3.4Å; D614-Y624 PolarHBondContact OD1-N 3.13Å; D614-Y624 PolarHBondContact OD2-N 3.43Å
615K91.6Very high97.2Very high112 Ų11229.8 Ų29.849%0.48714%0.138SC..Hα-helixtrans-60.2-32.9173-72.5-170.7176-165.10112.6F41 H613F41-K615 HydrophobicContact CB-CD 3.93Å; F41-K615 HydrophobicContact CD1-CB 3.91Å; F41-K615 HydrophobicContact CD1-CD 3.66Å; F41-K615 HydrophobicContact CD1-CG 4.41Å; F41-K615 HydrophobicContact CE1-CB 3.69Å; F41-K615 HydrophobicContact CE1-CD 4.34Å; F41-K615 HydrophobicContact CG-CB 4.5Å; F41-K615 HydrophobicContact CG-CD 3.8Å; F41-K615 HydrophobicContact CZ-CB 4.1Å; F41-K615 PolarHBondContact O-NZ 2.88Å; H613-K615 VanDerWaalsContact C-N 3.31Å; H613-K615 PolarHBondContact ND1-N 3.26Å; H613-K615 PolarHBondContact O-N 3.11Å
616K92.9Very high97.2Very high11 Ų1129.8 Ų29.85%0.04814%0.138CC..Hα-helixtrans-83.5-37.3177.9177.858.3169176.40112.1F41 S90 M91 G94 N95 I612 H613 D614 N618F41-K616 HydrophobicContact CZ-CB 4.29Å; S90-K616 VanDerWaalsContact C-NZ 3.3Å; S90-K616 PolarHBondContact O-NZ 2.75Å; S90-K616 WeakPolarHBondContact OG-CE 3.33Å; S90-K616 PolarHBondContact OG-NZ 2.81Å; M91-K616 HydrophobicContact CE-CD 3.8Å; M91-K616 HydrophobicContact CE-CG 3.88Å; M91-K616 HydrophobicContact SD-CB 3.98Å; M91-K616 HydrophobicContact SD-CD 3.91Å; M91-K616 HydrophobicContact SD-CG 3.94Å; G94-K616 PolarHBondContact O-NZ 3.19Å; N95-K616 PolarHBondContact OD1-O 3.37Å; I612-K616 HydrophobicContact CG2-CB 4.34Å; I612-K616 HydrophobicContact CG2-CG 4.17Å; H613-K616 WeakPolarHBondContact O-CA 3.48Å; H613-K616 WeakPolarHBondContact O-CB 3.46Å; H613-K616 PolarHBondContact O-N 3.41Å; D614-K616 PolarHBondContact O-N 3.42Å; K616-N618 VanDerWaalsContact C-N 3.28Å
617L94.9Very high97.1Very high0 Ų032.3 Ų32.30%015%0.152CC..Hα-helixtrans-67.4-35.3176.5-163.861.8000111.2N95 K295 T298 I299 I612 H613 D614 S619 G622N95-L617 PolarHBondContact ND2-O 2.9Å; K295-L617 HydrophobicContact CB-CD1 3.91Å; K295-L617 HydrophobicContact CG-CD1 4.04Å; T298-L617 HydrophobicContact CG2-CD2 4.01Å; I299-L617 HydrophobicContact CD1-CD1 3.88Å; I299-L617 HydrophobicContact CD1-CG 4.11Å; I299-L617 HydrophobicContact CG1-CD1 3.76Å; I299-L617 HydrophobicContact CG1-CD2 3.84Å; I299-L617 HydrophobicContact CG1-CG 3.79Å; I612-L617 HydrophobicContact CG2-CB 4.02Å; I612-L617 HydrophobicContact CG2-CD1 4.01Å; H613-L617 PolarHBondContact O-N 2.65Å; D614-L617 PolarHBondContact O-N 3.26Å; L617-S619 PolarHBondContact O-N 3.36Å; L617-G622 WeakPolarHBondContact CD2-O 3.27Å
618N94.8Very high97.1Very high50 Ų5032.4 Ų32.427%0.26715%0.152SC..  trans49.737.4-178.8-164.233.6000113.4A406 D614 K616A406-N618 WeakPolarHBondContact CB-O 3.45Å; D614-N618 WeakPolarHBondContact O-CA 3.44Å; D614-N618 PolarHBondContact O-N 3.4Å; K616-N618 VanDerWaalsContact C-N 3.28Å
619S98Very high97.1Very high7 Ų736 Ų365%0.04917%0.165CC..  trans-122.8126.2-176.2-178.30000110.6I299 S405 L617 L621 G622 R623I299-S619 WeakPolarHBondContact CG2-OG 3.42Å; S405-S619 VanDerWaalsContact C-OG 3.26Å; S405-S619 WeakPolarHBondContact O-CB 3.34Å; S405-S619 PolarHBondContact O-OG 3.41Å; L617-S619 PolarHBondContact O-N 3.36Å; S619-L621 VanDerWaalsContact C-N 3.34Å; S619-L621 PolarHBondContact OG-N 3.08Å; S619-G622 PolarHBondContact OG-N 2.82Å; S619-G622 VanDerWaalsContact OG-N 3.1Å; S619-R623 WeakPolarHBondContact O-CG 3.46Å; S619-R623 PolarHBondContact O-N 3.06Å
620V98.4Very high97.1Very high17 Ų1741.9 Ų41.910%0.10319%0.193CC..SBendtrans-68.1-36.9171.4178.10000111S404 R623 N631 M632 W635S404-V620 WeakPolarHBondContact O-CB 3.48Å; S404-V620 PolarHBondContact O-N 2.82Å; V620-R623 WeakPolarHBondContact O-CG 3.45Å; V620-N631 HydrophobicContact CG1-CB 3.75Å; V620-M632 HydrophobicContact CG1-CB 3.93Å; V620-W635 HydrophobicContact CG2-CB 4.24Å; V620-W635 HydrophobicContact CG2-CG 4.29Å
621L98.6Very high97.1Very high1 Ų143 Ų431%0.00520%0.2CC..THydrogen-bonded Turntrans-73.7-33.3-179.6-56-166.4000112.3I299 Y303 C396 H399 S619 V628 M632I299-L621 HydrophobicContact CG2-CB 4.09Å; Y303-L621 HydrophobicContact CD1-CD1 4.47Å; Y303-L621 HydrophobicContact CD2-CB 3.83Å; Y303-L621 HydrophobicContact CD2-CD1 4.19Å; Y303-L621 HydrophobicContact CD2-CD2 3.98Å; Y303-L621 HydrophobicContact CD2-CG 4.21Å; Y303-L621 HydrophobicContact CE2-CD1 4.32Å; Y303-L621 HydrophobicContact CE2-CD2 3.89Å; Y303-L621 HydrophobicContact CE2-CG 4.48Å; Y303-L621 HydrophobicContact CG-CB 4.07Å; Y303-L621 HydrophobicContact CG-CD1 4.27Å; C396-L621 HydrophobicContact CB-CD1 4.09Å; H399-L621 HydrophobicContact CB-CD1 3.79Å; H399-L621 HydrophobicContact CB-CD2 4.11Å; S619-L621 VanDerWaalsContact C-N 3.34Å; S619-L621 PolarHBondContact OG-N 3.08Å; L621-V628 HydrophobicContact CD2-CG1 3.5Å; L621-V628 VanDerWaalsContact CD2-CG1 3.5Å; L621-M632 HydrophobicContact CD2-SD 4.38Å
622G98.4Very high97.1Very high0 Ų043.2 Ų43.20%020%0.201CC..THydrogen-bonded Turntrans-91.79.6-176.300000115.4R302 L617 S619R302-G622 WeakPolarHBondContact CD-O 3.43Å; R302-G622 PolarHBondContact NH1-O 3.45Å; L617-G622 WeakPolarHBondContact CD2-O 3.27Å; S619-G622 PolarHBondContact OG-N 2.82Å; S619-G622 VanDerWaalsContact OG-N 3.1Å
623R98.4Very high97.1Very high65 Ų6548.1 Ų48.125%0.24522%0.221CC..  trans-53.5139.6-176.7-71.6-179.962.578.73.5112.1S619 V620 D625 G626S619-R623 WeakPolarHBondContact O-CG 3.46Å; S619-R623 PolarHBondContact O-N 3.06Å; V620-R623 WeakPolarHBondContact O-CG 3.45Å; R623-D625 WeakPolarHBondContact CB-OD1 3.33Å; R623-D625 IonicContact CZ-OD1 3.4Å; R623-D625 IonicContact CZ-OD2 3.51Å; R623-D625 IonicContact NE-OD1 3.54Å; R623-D625 PolarHBondContact NE-OD1 2.7Å; R623-D625 VanDerWaalsContact NE-OD1 3.08Å; R623-D625 IonicContact NE-OD2 3.5Å; R623-D625 IonicContact NH2-OD1 3.24Å; R623-D625 IonicContact NH2-OD2 3.53Å; R623-D625 PolarHBondContact NH2-OD2 3.42Å; R623-D625 PolarHBondContact O-N 3.19Å; R623-G626 PolarHBondContact O-N 3.16Å
624Y98.5Very high97.3Very high106 Ų10647.7 Ų47.742%0.41622%0.219SC..THydrogen-bonded Turntrans-60-35.7178.5-175.6-92.2000111.9M1 R9 D614 G626M1-Y624 HydrophobicContact CE-CD1 4.4Å; M1-Y624 HydrophobicContact CE-CE1 3.92Å; R9-Y624 VanDerWaalsContact CZ-CZ 3.43Å; R9-Y624 VanDerWaalsContact CZ-O 3.23Å; R9-Y624 PolarHBondContact NH1-O 3.38Å; R9-Y624 PolarHBondContact NH2-O 3.43Å; D614-Y624 PolarHBondContact OD1-N 3.13Å; D614-Y624 PolarHBondContact OD2-N 3.43Å; Y624-G626 VanDerWaalsContact C-N 3.32Å; Y624-G626 PolarHBondContact O-N 3.22Å
625D98.4Very high97.4Very high32 Ų3247.7 Ų47.717%0.17122%0.217CC..THydrogen-bonded Turntrans-78-12-178.664.313.2000114.6M1 N2 R623 N627M1-D625 CarbonylContact C-O 3.58Å; M1-D625 VanDerWaalsContact CA-O 3.32Å; M1-D625 WeakPolarHBondContact CA-O 3.28Å; M1-D625 WeakPolarHBondContact CG-O 3.48Å; N2-D625 PolarHBondContact N-O 2.95Å; R623-D625 WeakPolarHBondContact CB-OD1 3.33Å; R623-D625 IonicContact CZ-OD1 3.4Å; R623-D625 IonicContact CZ-OD2 3.51Å; R623-D625 IonicContact NE-OD1 3.54Å; R623-D625 PolarHBondContact NE-OD1 2.7Å; R623-D625 VanDerWaalsContact NE-OD1 3.08Å; R623-D625 IonicContact NE-OD2 3.5Å; R623-D625 IonicContact NH2-OD1 3.24Å; R623-D625 IonicContact NH2-OD2 3.53Å; R623-D625 PolarHBondContact NH2-OD2 3.42Å; R623-D625 PolarHBondContact O-N 3.19Å; D625-N627 PolarHBondContact O-N 3.39Å; D625-N627 WeakPolarHBondContact OD1-CB 3.48Å; D625-N627 PolarHBondContact OD1-N 3.33Å; D625-N627 PolarHBondContact OD2-ND2 2.86Å
626G98.3Very high97.7Very high1 Ų144.3 Ų44.31%0.0121%0.21CC..  trans68.69.7-176.600000115.4N2 R623 Y624 V628N2-G626 WeakPolarHBondContact CB-O 3.08Å; N2-G626 PolarHBondContact ND2-O 2.98Å; R623-G626 PolarHBondContact O-N 3.16Å; Y624-G626 VanDerWaalsContact C-N 3.32Å; Y624-G626 PolarHBondContact O-N 3.22Å; G626-V628 VanDerWaalsContact C-N 3.27Å; G626-V628 PolarHBondContact O-N 3Å
627N98.3Very high97.9Very high54 Ų5450.6 Ų50.629%0.28923%0.233SC..  trans-82.370.5179.7-66.3-17.9000110.3N2 D625 N631N2-N627 PolarHBondContact N-OD1 2.97Å; D625-N627 PolarHBondContact O-N 3.39Å; D625-N627 WeakPolarHBondContact OD1-CB 3.48Å; D625-N627 PolarHBondContact OD1-N 3.33Å; D625-N627 PolarHBondContact OD2-ND2 2.86Å; N627-N631 PolarHBondContact O-ND2 3.36Å
628V98.5Very high98Very high1 Ų158 Ų581%0.00626%0.261CS..Hα-helixtrans-77.4-50.2-167.9175.70000112.8Y303 V306 L621 G626 N631 M632Y303-V628 HydrophobicContact CD2-CG1 4.17Å; Y303-V628 HydrophobicContact CD2-CG2 4.37Å; Y303-V628 HydrophobicContact CE2-CG1 4.02Å; V306-V628 HydrophobicContact CB-CG2 4.4Å; V306-V628 HydrophobicContact CG1-CB 4.26Å; V306-V628 HydrophobicContact CG1-CG2 3.89Å; L621-V628 HydrophobicContact CD2-CG1 3.5Å; L621-V628 VanDerWaalsContact CD2-CG1 3.5Å; G626-V628 VanDerWaalsContact C-N 3.27Å; G626-V628 PolarHBondContact O-N 3Å; V628-N631 PolarHBondContact O-N 3.35Å; V628-M632 VanDerWaalsContact O-CB 3.3Å; V628-M632 WeakPolarHBondContact O-CB 3.47Å; V628-M632 PolarHBondContact O-N 3.15Å
629Y98.4Very high98.1Very high87 Ų8757 Ų5734%0.34126%0.258SS..Hα-helixtrans-70.6-42.2-163.4-59.7-58.7000113.1R307 M632 F633R307-Y629 WeakPolarHBondContact CD-OH 3.35Å; R307-Y629 PolarHBondContact NH1-OH 3.36Å; Y629-M632 HydrophobicContact CD1-CE 4.46Å; Y629-M632 PolarHBondContact O-N 2.82Å; Y629-F633 PolarHBondContact O-N 2.74Å; Y629-F633 VanDerWaalsContact O-N 3.08Å
630E98.2Very high98Very high125 Ų12560.2 Ų60.258%0.58428%0.278SS*.Hα-helixtrans-64.7-45.8177.8-58.980.8-179.100110.8M632 F633 E634E630-M632 VanDerWaalsContact C-N 3.29Å; E630-M632 PolarHBondContact O-N 3.5Å; E630-F633 PolarHBondContact O-N 3.29Å; E630-E634 PolarHBondContact O-N 3.22Å
631N98.3Very high97.9Very high51 Ų5165.1 Ų65.127%0.27330%0.304SS..Hα-helixtrans-67.3-31.1178.3-76.3-76.2000112.2V620 N627 V628 W635V620-N631 HydrophobicContact CG1-CB 3.75Å; N627-N631 PolarHBondContact O-ND2 3.36Å; V628-N631 PolarHBondContact O-N 3.35Å; N631-W635 VanDerWaalsContact O-CB 3.28Å; N631-W635 WeakPolarHBondContact O-CB 3.4Å; N631-W635 PolarHBondContact O-N 3.2Å
632M98.3Very high97.9Very high42 Ų4269.6 Ų69.621%0.20733%0.328CS..Hα-helixtrans-68-40.9175.7-172.117669.200111.3H399 V620 L621 V628 Y629 E630 W635 A636H399-M632 HydrophobicContact CB-SD 4.42Å; V620-M632 HydrophobicContact CG1-CB 3.93Å; L621-M632 HydrophobicContact CD2-SD 4.38Å; V628-M632 VanDerWaalsContact O-CB 3.3Å; V628-M632 WeakPolarHBondContact O-CB 3.47Å; V628-M632 PolarHBondContact O-N 3.15Å; Y629-M632 HydrophobicContact CD1-CE 4.46Å; Y629-M632 PolarHBondContact O-N 2.82Å; E630-M632 VanDerWaalsContact C-N 3.29Å; E630-M632 PolarHBondContact O-N 3.5Å; M632-W635 PolarHBondContact O-N 3.26Å; M632-A636 PolarHBondContact O-N 3.17Å
633F98.4Very high97.7Very high128 Ų12874.1 Ų74.156%0.56137%0.365SS*.Hα-helixtrans-62.9-48.3173.9-179-116.5000111.6Y629 E630 W635 A636 R637Y629-F633 PolarHBondContact O-N 2.74Å; Y629-F633 VanDerWaalsContact O-N 3.08Å; E630-F633 PolarHBondContact O-N 3.29Å; F633-W635 VanDerWaalsContact C-N 3.32Å; F633-W635 PolarHBondContact O-N 3.07Å; F633-A636 PolarHBondContact O-N 3.42Å; F633-A636 VanDerWaalsContact O-N 3.15Å; F633-R637 VanDerWaalsContact CE1-CD 3.48Å; F633-R637 HydrophobicContact CE1-CG 4.33Å; F633-R637 HydrophobicContact CE2-CG 4.3Å; F633-R637 HydrophobicContact CZ-CG 4.18Å; F633-R637 WeakPolarHBondContact O-CG 3.49Å; F633-R637 PolarHBondContact O-N 2.83Å
634E98.1Very high97.6Very high78 Ų7873.7 Ų73.736%0.36438%0.375SS..Hα-helixtrans-66-31.7178.3-70.5-55.5133.400113.3E630 R637 R638E630-E634 PolarHBondContact O-N 3.22Å; E634-R637 IonicContact OE1-CZ 2.65Å; E634-R637 IonicContact OE1-NH1 2.61Å; E634-R637 PolarHBondContact OE1-NH1 2.93Å; E634-R637 IonicContact OE2-NH1 2.81Å; E634-R637 PolarHBondContact OE2-NH1 3.32Å; E634-R638 WeakPolarHBondContact O-CG 3.49Å; E634-R638 PolarHBondContact O-N 3.32Å; E634-R638 PolarHBondContact O-NE 3.06Å; E634-R638 VanDerWaalsContact O-NE 3.08Å
635W97.9Very high97.6Very high34 Ų3477.8 Ų77.813%0.12940%0.398CS..Hα-helixtrans-64.6-46.1170.4-173.889.3000111.6D50 N52 F53 R403 V620 N631 M632 F633 R637 R638D50-W635 PolarHBondContact OD2-NE1 3.12Å; N52-W635 HydrophobicContact CB-CZ2 4.18Å; F53-W635 HydrophobicContact CE1-CD2 4.5Å; F53-W635 AromaticContact CE1-CE2 3.91Å; F53-W635 AromaticContact CE1-CH2 3.79Å; F53-W635 HydrophobicContact CE1-CH2 3.79Å; F53-W635 AromaticContact CE1-CZ2 3.54Å; F53-W635 HydrophobicContact CE1-CZ2 3.54Å; F53-W635 HydrophobicContact CE1-CZ3 4.35Å; F53-W635 AromaticContact CZ-CD2 3.84Å; F53-W635 HydrophobicContact CZ-CD2 3.84Å; F53-W635 AromaticContact CZ-CE2 3.47Å; F53-W635 VanDerWaalsContact CZ-CE2 3.47Å; F53-W635 HydrophobicContact CZ-CE3 4.28Å; F53-W635 HydrophobicContact CZ-CG 4.37Å; F53-W635 HydrophobicContact CZ-CH2 4.11Å; F53-W635 AromaticContact CZ-CZ2 3.63Å; F53-W635 HydrophobicContact CZ-CZ2 3.63Å; F53-W635 HydrophobicContact CZ-CZ3 4.41Å; F53-W635 AromaticContact CZ-NE1 3.76Å; F53-W635 WeakPolarHBondContact CZ-O 3.35Å; R403-W635 HydrophobicContact CB-CH2 4.38Å; R403-W635 HydrophobicContact CB-CZ2 4.47Å; V620-W635 HydrophobicContact CG2-CB 4.24Å; V620-W635 HydrophobicContact CG2-CG 4.29Å; N631-W635 VanDerWaalsContact O-CB 3.28Å; N631-W635 WeakPolarHBondContact O-CB 3.4Å; N631-W635 PolarHBondContact O-N 3.2Å; M632-W635 PolarHBondContact O-N 3.26Å; F633-W635 VanDerWaalsContact C-N 3.32Å; F633-W635 PolarHBondContact O-N 3.07Å; W635-R637 PolarHBondContact O-N 2.99Å; W635-R638 PolarHBondContact O-N 3.49Å
636A98.1Very high97.5Very high40 Ų4080.5 Ų80.533%0.33142%0.416SS..Hα-helixtrans-63.4-39.7178.800000112.5M632 F633 R638 S639 N642M632-A636 PolarHBondContact O-N 3.17Å; F633-A636 PolarHBondContact O-N 3.42Å; F633-A636 VanDerWaalsContact O-N 3.15Å; A636-R638 PolarHBondContact O-N 2.89Å; A636-S639 WeakPolarHBondContact O-CB 3.16Å; A636-S639 PolarHBondContact O-N 2.97Å; A636-N642 PolarHBondContact O-ND2 2.98Å
637R97.3Very high97.5Very high143 Ų14384.7 Ų84.754%0.5444%0.435SS..Hα-helixtrans-60.5-30.2177.5-73.1179.471-164.73.3113.7F633 E634 W635 S639F633-R637 VanDerWaalsContact CE1-CD 3.48Å; F633-R637 HydrophobicContact CE1-CG 4.33Å; F633-R637 HydrophobicContact CE2-CG 4.3Å; F633-R637 HydrophobicContact CZ-CG 4.18Å; F633-R637 WeakPolarHBondContact O-CG 3.49Å; F633-R637 PolarHBondContact O-N 2.83Å; E634-R637 IonicContact OE1-CZ 2.65Å; E634-R637 IonicContact OE1-NH1 2.61Å; E634-R637 PolarHBondContact OE1-NH1 2.93Å; E634-R637 IonicContact OE2-NH1 2.81Å; E634-R637 PolarHBondContact OE2-NH1 3.32Å; W635-R637 PolarHBondContact O-N 2.99Å; R637-S639 VanDerWaalsContact C-N 3.29Å
638R96.2Very high97.5Very high156 Ų15687.5 Ų87.559%0.58945%0.446SS*.THydrogen-bonded Turntrans-81.6-4.6177.8-68.5178.7-68.51610.7113.9F53 E634 W635 A636F53-R638 HydrophobicContact CE2-CB 3.93Å; E634-R638 WeakPolarHBondContact O-CG 3.49Å; E634-R638 PolarHBondContact O-N 3.32Å; E634-R638 PolarHBondContact O-NE 3.06Å; E634-R638 VanDerWaalsContact O-NE 3.08Å; W635-R638 PolarHBondContact O-N 3.49Å; A636-R638 PolarHBondContact O-N 2.89Å
639S96.6Very high97.4Very high30 Ų3089.4 Ų89.421%0.2146%0.46CS..SBendtrans-59.5137.1178.4-176.10000111.3A636 R637 L641 N642A636-S639 WeakPolarHBondContact O-CB 3.16Å; A636-S639 PolarHBondContact O-N 2.97Å; R637-S639 VanDerWaalsContact C-N 3.29Å; S639-L641 PolarHBondContact O-N 3.27Å; S639-L641 VanDerWaalsContact O-N 3.11Å; S639-N642 WeakPolarHBondContact O-CA 3.37Å; S639-N642 WeakPolarHBondContact O-CB 3.21Å; S639-N642 PolarHBondContact O-N 2.7Å
640P96.6Very high97.4Very high73 Ų7388 Ų8847%0.47446%0.455SS..G310 helixtrans-56.2-29.9-179.9-28.834.8000114.8F53 N642 A643F53-P640 HydrophobicContact CB-CG 3.74Å; F53-P640 HydrophobicContact CD1-CG 4.43Å; F53-P640 HydrophobicContact CG-CG 4.2Å; P640-N642 PolarHBondContact O-N 3.41Å; P640-A643 VanDerWaalsContact O-CB 3.22Å; P640-A643 WeakPolarHBondContact O-CB 3.38Å; P640-A643 PolarHBondContact O-N 3.27Å; P640-A643 VanDerWaalsContact O-N 3.14Å
641L97.3Very high97.4Very high121 Ų12187 Ų8763%0.63445%0.451SS*.G310 helixtrans-66-21.8176.2-75.9176.4000113.1S639S639-L641 PolarHBondContact O-N 3.27Å; S639-L641 VanDerWaalsContact O-N 3.11Å
642N97.4Very high97.4Very high95 Ų9589.5 Ų89.551%0.50846%0.459SS..G310 helixtrans-94.88.6177.8-62.8-30.5000112.4A636 S639 P640 A644A636-N642 PolarHBondContact O-ND2 2.98Å; S639-N642 WeakPolarHBondContact O-CA 3.37Å; S639-N642 WeakPolarHBondContact O-CB 3.21Å; S639-N642 PolarHBondContact O-N 2.7Å; P640-N642 PolarHBondContact O-N 3.41Å; N642-A644 PolarHBondContact O-N 3.12Å
643A95.3Very high97.4Very high95 Ų9595 Ų9579%0.78548%0.479SS*.SBendtrans-63.2-19.8174.100000112.9P640P640-A643 VanDerWaalsContact O-CB 3.22Å; P640-A643 WeakPolarHBondContact O-CB 3.38Å; P640-A643 PolarHBondContact O-N 3.27Å; P640-A643 VanDerWaalsContact O-N 3.14Å
644A96.3Very high97.3Very high56 Ų5692.7 Ų92.746%0.46347%0.472SS..SBendtrans-139.3143170.200000110.2N642 V646N642-A644 PolarHBondContact O-N 3.12Å; A644-V646 PolarHBondContact O-N 3.03Å
645E96.8Very high97.3Very high191 Ų19194.4 Ų94.489%0.89348%0.478SS*.SBendtrans-61.9-30177-65.4-63.8157.700112.8
646V97.6Very high97.3Very high90 Ų9095.1 Ų95.155%0.54549%0.487SS..SBendtrans-124.4110.3178.1-177.10000109.2A644 F650A644-V646 PolarHBondContact O-N 3.03Å; V646-F650 HydrophobicContact CG1-CB 3.77Å; V646-F650 HydrophobicContact CG1-CD1 3.82Å; V646-F650 HydrophobicContact CG1-CG 3.96Å
647H97.9Very high97.3Very high88 Ų8897.8 Ų97.841%0.40750%0.496SS..  trans-64.7145.5177.3-172.1-95.1000111.8S649 F650H647-S649 VanDerWaalsContact ND1-CB 3.28Å; H647-S649 WeakPolarHBondContact ND1-CB 3.35Å; H647-S649 PolarHBondContact ND1-N 3.25Å; H647-S649 VanDerWaalsContact ND1-N 3.12Å; H647-S649 PolarHBondContact ND1-OG 3.45Å; H647-S649 PolarHBondContact O-N 3.31Å; H647-F650 WeakPolarHBondContact O-CB 3.41Å; H647-F650 PolarHBondContact O-N 3.08Å
648E97.5Very high97.3Very high113 Ų11399.2 Ų99.253%0.52850%0.501SS..Hα-helixtrans-58.2-25.8-177.352.1155.8-135.600114.1F650 Q651 K652E648-F650 PolarHBondContact O-N 3.27Å; E648-Q651 PolarHBondContact O-N 2.92Å; E648-K652 WeakPolarHBondContact O-CG 3.28Å; E648-K652 PolarHBondContact O-N 3.38Å; E648-K652 IonicContact OE1-NZ 3.38Å; E648-K652 PolarHBondContact OE1-NZ 3.4Å; E648-K652 WeakPolarHBondContact OE2-CE 3.49Å; E648-K652 IonicContact OE2-NZ 2.89Å; E648-K652 PolarHBondContact OE2-NZ 3.41Å
649S97.8Very high97.2Very high41 Ų4196.2 Ų96.229%0.28750%0.504SS..Hα-helixtrans-59-25.9174.463.90000112.8H647 Y653 L654H647-S649 VanDerWaalsContact ND1-CB 3.28Å; H647-S649 WeakPolarHBondContact ND1-CB 3.35Å; H647-S649 PolarHBondContact ND1-N 3.25Å; H647-S649 VanDerWaalsContact ND1-N 3.12Å; H647-S649 PolarHBondContact ND1-OG 3.45Å; H647-S649 PolarHBondContact O-N 3.31Å; S649-Y653 WeakPolarHBondContact O-CB 3.4Å; S649-Y653 PolarHBondContact O-N 3.39Å; S649-L654 PolarHBondContact O-N 3.28Å
650F98.1Very high97Very high57 Ų57103.3 Ų103.325%0.2553%0.531CS..Iπ-helixtrans-64-51.5174.7175.5-98.1000111.4V646 H647 E648 L654 K655V646-F650 HydrophobicContact CG1-CB 3.77Å; V646-F650 HydrophobicContact CG1-CD1 3.82Å; V646-F650 HydrophobicContact CG1-CG 3.96Å; H647-F650 WeakPolarHBondContact O-CB 3.41Å; H647-F650 PolarHBondContact O-N 3.08Å; E648-F650 PolarHBondContact O-N 3.27Å; F650-L654 HydrophobicContact CB-CD1 4.37Å; F650-L654 HydrophobicContact CD2-CB 3.74Å; F650-L654 HydrophobicContact CD2-CD1 4Å; F650-L654 HydrophobicContact CD2-CG 4.47Å; F650-L654 HydrophobicContact CE2-CB 4.3Å; F650-L654 HydrophobicContact CG-CB 4.45Å; F650-L654 PolarHBondContact O-N 3.2Å; F650-L654 VanDerWaalsContact O-N 3.11Å; F650-K655 HydrophobicContact CE1-CB 4.11Å; F650-K655 HydrophobicContact CZ-CB 4.19Å; F650-K655 WeakPolarHBondContact O-CB 3.32Å; F650-K655 PolarHBondContact O-N 3.44Å
651Q97.4Very high96.6Very high106 Ų106108.7 Ų108.750%0.49555%0.554SS.*Iπ-helixtrans-68.4-38.9179.6-61.1-63.2-19.100111.4E648 P656E648-Q651 PolarHBondContact O-N 2.92Å; Q651-P656 VanDerWaalsContact O-CD 3.28Å; Q651-P656 WeakPolarHBondContact O-CD 3.35Å
652K97.9Very high96.5Very high103 Ų103108.1 Ų108.145%0.44855%0.55SS.*Iπ-helixtrans-69.8-39.8-178.4-68.9179.1-174.51750113.1E648E648-K652 WeakPolarHBondContact O-CG 3.28Å; E648-K652 PolarHBondContact O-N 3.38Å; E648-K652 IonicContact OE1-NZ 3.38Å; E648-K652 PolarHBondContact OE1-NZ 3.4Å; E648-K652 WeakPolarHBondContact OE2-CE 3.49Å; E648-K652 IonicContact OE2-NZ 2.89Å; E648-K652 PolarHBondContact OE2-NZ 3.41Å
653Y98.2Very high96.5Very high158 Ų158108.7 Ų108.762%0.6255%0.553SS**Iπ-helixtrans-129.3-47.5-166.2-51.1-60.9000113.8S649 L657S649-Y653 WeakPolarHBondContact O-CB 3.4Å; S649-Y653 PolarHBondContact O-N 3.39Å; Y653-L657 VanDerWaalsContact O-CB 3.22Å; Y653-L657 WeakPolarHBondContact O-CB 3.47Å; Y653-L657 PolarHBondContact O-N 3.49Å
654L97.9Very high96.6Very high78 Ų78109.5 Ų109.541%0.40854%0.54SS..Iπ-helixtrans-74-41.7-172.8-58.2178.1000112.9S649 F650 L657 R658S649-L654 PolarHBondContact O-N 3.28Å; F650-L654 HydrophobicContact CB-CD1 4.37Å; F650-L654 HydrophobicContact CD2-CB 3.74Å; F650-L654 HydrophobicContact CD2-CD1 4Å; F650-L654 HydrophobicContact CD2-CG 4.47Å; F650-L654 HydrophobicContact CE2-CB 4.3Å; F650-L654 HydrophobicContact CG-CB 4.45Å; F650-L654 PolarHBondContact O-N 3.2Å; F650-L654 VanDerWaalsContact O-N 3.11Å; L654-L657 PolarHBondContact O-N 3.42Å; L654-R658 WeakPolarHBondContact O-CG 3.39Å; L654-R658 PolarHBondContact O-N 3.16Å
655K97.8Very high96.6Very high114 Ų114112.6 Ų112.650%0.49654%0.544SS..Hα-helixtrans-65.1-47.4177.5178.4-177.9-178.2-176.90111.2F650 L657 R658 S659F650-K655 HydrophobicContact CE1-CB 4.11Å; F650-K655 HydrophobicContact CZ-CB 4.19Å; F650-K655 WeakPolarHBondContact O-CB 3.32Å; F650-K655 PolarHBondContact O-N 3.44Å; K655-L657 PolarHBondContact O-N 3.13Å; K655-R658 PolarHBondContact O-N 3.38Å; K655-S659 PolarHBondContact O-N 3.08Å; K655-S659 VanDerWaalsContact O-N 3.16Å
656P97.8Very high96.6Very high50 Ų50107.8 Ų107.833%0.32552%0.522SS..Hα-helixtrans-59.9-41.4171.5-27.536.5000113.8Q651 R658 S659 K660Q651-P656 VanDerWaalsContact O-CD 3.28Å; Q651-P656 WeakPolarHBondContact O-CD 3.35Å; P656-R658 PolarHBondContact O-N 3.28Å; P656-S659 PolarHBondContact O-N 3.39Å; P656-S659 PolarHBondContact O-OG 2.83Å; P656-K660 PolarHBondContact O-N 3.35Å
657L97.6Very high96.5Very high96 Ų96108.9 Ų108.950%0.50352%0.521SS..Hα-helixtrans-57.8-48.9177176.564.7000111.2Y653 L654 K655 S659 K660 L661Y653-L657 VanDerWaalsContact O-CB 3.22Å; Y653-L657 WeakPolarHBondContact O-CB 3.47Å; Y653-L657 PolarHBondContact O-N 3.49Å; L654-L657 PolarHBondContact O-N 3.42Å; K655-L657 PolarHBondContact O-N 3.13Å; L657-S659 VanDerWaalsContact C-N 3.26Å; L657-S659 PolarHBondContact O-N 3.31Å; L657-K660 PolarHBondContact O-N 3.48Å; L657-K660 VanDerWaalsContact O-N 3.13Å; L657-L661 HydrophobicContact CD1-CD1 4.14Å; L657-L661 HydrophobicContact CD1-CG 4.36Å; L657-L661 HydrophobicContact CG-CD1 4.1Å; L657-L661 PolarHBondContact O-N 2.83Å
658R96.6Very high96.4Very high173 Ų173110.4 Ų110.465%0.65353%0.529SS*.Hα-helixtrans-64.2-28179.1-73.9179.5-179.7-172.51113.9L654 K655 P656 K660L654-R658 WeakPolarHBondContact O-CG 3.39Å; L654-R658 PolarHBondContact O-N 3.16Å; K655-R658 PolarHBondContact O-N 3.38Å; P656-R658 PolarHBondContact O-N 3.28Å; R658-K660 VanDerWaalsContact C-N 3.26Å
659S94.8Very high96.3Very high92 Ų92110.2 Ų110.264%0.64353%0.529SS*.Hα-helixtrans-76.6-14.2177.166.70000113.8K655 P656 L657K655-S659 PolarHBondContact O-N 3.08Å; K655-S659 VanDerWaalsContact O-N 3.16Å; P656-S659 PolarHBondContact O-N 3.39Å; P656-S659 PolarHBondContact O-OG 2.83Å; L657-S659 VanDerWaalsContact C-N 3.26Å; L657-S659 PolarHBondContact O-N 3.31Å
660K93.6Very high96.2Very high180 Ų180116 Ų11678%0.78355%0.549SS*.Hα-helixtrans-106.9-15.2-177.1-68.8-177.3178.3-175.10113.7P656 L657 R658P656-K660 PolarHBondContact O-N 3.35Å; L657-K660 PolarHBondContact O-N 3.48Å; L657-K660 VanDerWaalsContact O-N 3.13Å; R658-K660 VanDerWaalsContact C-N 3.26Å
661L86.6Confident96Very high185 Ų185121.4 Ų121.497%0.96958%0.576SS**  trans-89.30167.5-65.1174.2000108.4L657L657-L661 HydrophobicContact CD1-CD1 4.14Å; L657-L661 HydrophobicContact CD1-CG 4.36Å; L657-L661 HydrophobicContact CG-CD1 4.1Å; L657-L661 PolarHBondContact O-N 2.83Å

Retrieved 661 of 661 residues in 132.5 ms (Link to these results)

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