A0A077Z9P2_TRITR Loading...

Ank 5 and Ank 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9P2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,225 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
1M38.5Very low66.4Low214 Ų21491.3 Ų91.3100%1.05445%0.447SS*.  0140.30-68.2167.617600107
2A42.4Very low67.9Low59 Ų5985.1 Ų85.149%0.48842%0.416SS..PPolyproline II helixtrans-76.6138.5168.400000109
3A53.3Low68.7Low36 Ų3679.5 Ų79.530%0.29839%0.389SS..PPolyproline II helixtrans-63.7134.7168.700000108.9C5A3-C5 PolarHBondContact O-N 3.36Å; A3-C5 VanDerWaalsContact O-N 3.1Å
4K63.2Low69.5Low115 Ų11574.4 Ų74.450%0.537%0.367SS..PPolyproline II helixtrans-56118.7172.7-83.7-169.3175.9-171.60108.3D372 M375K4-D372 IonicContact NZ-OD2 3.96Å; K4-D372 PolarHBondContact NZ-OD2 3.49Å; K4-M375 HydrophobicContact CB-CE 4.14Å; K4-M375 HydrophobicContact CD-CE 4.17Å
5C68Low70.5Confident19 Ų1969.5 Ų69.513%0.12834%0.343CS..PPolyproline II helixtrans-82130.4172.3-169.10000109.1A3 L7 E8 W52A3-C5 PolarHBondContact O-N 3.36Å; A3-C5 VanDerWaalsContact O-N 3.1Å; C5-L7 PolarHBondContact O-N 2.8Å; C5-E8 PolarHBondContact O-N 3.17Å; C5-W52 HydrophobicContact CB-CZ3 4.49Å
6P70.7Confident71.5Confident53 Ų5368.4 Ų68.434%0.34434%0.337SS..THydrogen-bonded Turntrans-56.7-12172-29.338000115.2W370P6-W370 HydrophobicContact CB-CD2 4.3Å; P6-W370 HydrophobicContact CB-CG 4.08Å; P6-W370 HydrophobicContact CG-CD2 4.12Å; P6-W370 HydrophobicContact CG-CG 4.18Å
7L78.8Confident72.5Confident41 Ų4166.8 Ų66.822%0.21533%0.326CS..THydrogen-bonded Turntrans-110.39.4-179.7-55176.6000113.3C5 R9 K10 T44 A45 C48C5-L7 PolarHBondContact O-N 2.8Å; L7-R9 PolarHBondContact O-N 3.16Å; L7-R9 VanDerWaalsContact O-N 3.14Å; L7-K10 HydrophobicContact CD2-CD 3.88Å; L7-K10 PolarHBondContact O-N 2.04Å; L7-T44 HydrophobicContact CD1-CG2 4.45Å; L7-A45 HydrophobicContact CD1-CB 4.02Å; L7-C48 HydrophobicContact CB-CB 4.3Å
8E77.7Confident73.5Confident82 Ų8263.2 Ų63.238%0.38331%0.309SS..THydrogen-bonded Turntrans-54.8122.1177.1175.8172.8170.600110.5C5 K10 W52C5-E8 PolarHBondContact O-N 3.17Å; E8-K10 PolarHBondContact O-N 3.27Å; E8-K10 VanDerWaalsContact O-N 3.07Å; E8-W52 HydrophobicContact CB-CE3 4.31Å; E8-W52 HydrophobicContact CB-CH2 4.17Å; E8-W52 HydrophobicContact CB-CZ3 4.08Å; E8-W52 HydrophobicContact CG-CD2 3.93Å; E8-W52 HydrophobicContact CG-CE3 4.1Å; E8-W52 HydrophobicContact CG-CH2 4.11Å; E8-W52 HydrophobicContact CG-CZ2 3.94Å; E8-W52 HydrophobicContact CG-CZ3 4.19Å
9R76.9Confident74.5Confident175 Ų17559.9 Ų59.966%0.6629%0.293SS*.THydrogen-bonded Turntrans57.512.5-177.2-55.1164.7-161.6-140.53.1115.3L7 R11 W52L7-R9 PolarHBondContact O-N 3.16Å; L7-R9 VanDerWaalsContact O-N 3.14Å; R9-R11 PolarHBondContact O-N 3.5Å; R9-W52 HydrophobicContact CG-CB 3.97Å; R9-W52 HydrophobicContact CG-CG 4.14Å
10K80Confident75.3Confident100 Ų10063.4 Ų63.444%0.43531%0.306SS..  trans-77.2105.9175-166.8178.3-168.6179.90109.4L7 E8 F12 E280L7-K10 HydrophobicContact CD2-CD 3.88Å; L7-K10 PolarHBondContact O-N 2.04Å; E8-K10 PolarHBondContact O-N 3.27Å; E8-K10 VanDerWaalsContact O-N 3.07Å; K10-F12 PolarHBondContact O-N 3.44Å; K10-E280 WeakPolarHBondContact CE-OE1 3.46Å; K10-E280 IonicContact NZ-OE1 3.44Å; K10-E280 PolarHBondContact NZ-OE1 2.93Å
11R81.4Confident76Confident110 Ų11064.8 Ų64.842%0.41531%0.308SS..  trans-44.5108.8179.2-177.8-176.8-174.2-1624.1111.8R9 I13 T54 H242 D246R9-R11 PolarHBondContact O-N 3.5Å; R11-I13 HydrophobicContact CG-CD1 4.15Å; R11-I13 HydrophobicContact CG-CG1 4.01Å; R11-T54 HydrophobicContact CB-CG2 4.15Å; R11-H242 VanDerWaalsContact CZ-CE1 3.47Å; R11-H242 PolarHBondContact NH1-CE1 3Å; R11-H242 PolarHBondContact NH2-CE1 3.25Å; R11-H242 PolarHBondContact NH2-NE2 2.78Å; R11-D246 IonicContact NH1-OD1 2.98Å; R11-D246 PolarHBondContact NH1-OD1 2.81Å; R11-D246 IonicContact NH1-OD2 3.98Å; R11-D246 PolarHBondContact NH1-OD2 3.26Å
12F83.6Confident78.5Confident17 Ų1754.7 Ų54.78%0.07526%0.259CS..  trans-95.5141.1172.2-172.8-105.4000109.9K10 G14 R15 A45 C46 E49 F276K10-F12 PolarHBondContact O-N 3.44Å; F12-G14 WeakPolarHBondContact CE1-O 3.4Å; F12-R15 HydrophobicContact CE1-CB 4.1Å; F12-R15 HydrophobicContact CE1-CG 3.69Å; F12-R15 HydrophobicContact CZ-CG 3.94Å; F12-A45 HydrophobicContact CB-CB 4.27Å; F12-A45 HydrophobicContact CD1-CB 4.46Å; F12-A45 HydrophobicContact CD2-CB 3.41Å; F12-A45 VanDerWaalsContact CD2-CB 3.41Å; F12-A45 HydrophobicContact CE2-CB 3.8Å; F12-A45 HydrophobicContact CG-CB 3.78Å; F12-A45 HydrophobicContact CZ-CB 4.47Å; F12-C46 VanDerWaalsContact CE1-SG 3.51Å; F12-E49 HydrophobicContact CB-CB 4.32Å; F12-E49 PolarHBondContact N-OE2 3.07Å; F12-F276 HydrophobicContact CE2-CB 4.35Å; F12-F276 AromaticContact CE2-CD1 3.5Å; F12-F276 HydrophobicContact CE2-CD1 3.5Å; F12-F276 VanDerWaalsContact CE2-CD1 3.5Å; F12-F276 HydrophobicContact CE2-CE1 4.01Å; F12-F276 HydrophobicContact CE2-CG 4.02Å; F12-F276 AromaticContact CZ-CD1 3.66Å; F12-F276 HydrophobicContact CZ-CD1 3.66Å; F12-F276 AromaticContact CZ-CE1 3.79Å; F12-F276 HydrophobicContact CZ-CE1 3.79Å; F12-F276 HydrophobicContact CZ-CG 4.09Å; F12-F276 HydrophobicContact CZ-CZ 4.36Å
13I78.4Confident80.8Confident13 Ų1353 Ų537%0.06724%0.241CC..  trans-134.4126.7-172.9-56.1-178.5000107.9R11 Y239 H242 F276R11-I13 HydrophobicContact CG-CD1 4.15Å; R11-I13 HydrophobicContact CG-CG1 4.01Å; I13-Y239 HydrophobicContact CB-CD2 4.19Å; I13-Y239 VanDerWaalsContact O-CD2 3.31Å; I13-Y239 WeakPolarHBondContact O-CD2 3.39Å; I13-H242 HydrophobicContact CD1-CB 4.34Å; I13-H242 WeakPolarHBondContact CD1-ND1 3.39Å; I13-H242 HydrophobicContact CG2-CB 4.4Å; I13-F276 WeakPolarHBondContact O-CE1 3.45Å
14G79.7Confident82.5Confident8 Ų855.8 Ų55.88%0.08225%0.248CC..  trans101176.2-169.200000112.6F12 E16F12-G14 WeakPolarHBondContact CE1-O 3.4Å; G14-E16 PolarHBondContact O-N 3.43Å
15R85.3Confident83.7Confident0 Ų050.3 Ų50.30%022%0.224CC..  trans59.527.9-166.6-45.7-48.1-160.8159.73.7113.3F12 W17 L18 C41 L224 D235 G274F12-R15 HydrophobicContact CE1-CB 4.1Å; F12-R15 HydrophobicContact CE1-CG 3.69Å; F12-R15 HydrophobicContact CZ-CG 3.94Å; R15-W17 PolarHBondContact O-N 2.9Å; R15-L18 HydrophobicContact CB-CB 4.03Å; R15-L18 HydrophobicContact CB-CD2 4.42Å; R15-L18 WeakPolarHBondContact O-CA 3.41Å; R15-L18 WeakPolarHBondContact O-CB 3.08Å; R15-L18 PolarHBondContact O-N 3.34Å; R15-C41 PolarHBondContact NH2-O 3.47Å; R15-C41 VanDerWaalsContact NH2-O 3.1Å; R15-L224 PolarHBondContact NH1-O 3.43Å; R15-L224 PolarHBondContact NH2-O 3.25Å; R15-D235 VanDerWaalsContact CA-OD1 3.26Å; R15-D235 WeakPolarHBondContact CA-OD1 3.28Å; R15-D235 WeakPolarHBondContact CD-OD2 3.04Å; R15-D235 IonicContact CZ-OD2 3.74Å; R15-D235 PolarHBondContact N-OD1 3.42Å; R15-D235 IonicContact NE-OD2 3.67Å; R15-D235 IonicContact NH1-OD2 2.7Å; R15-D235 PolarHBondContact NH1-OD2 2.94Å; R15-G274 PolarHBondContact NH2-O 3.03Å
16E86.2Confident84.5Confident53 Ų5349.4 Ų49.425%0.24822%0.218CC..Hα-helixtrans-60.4-32.3-179.8-78.1-66.8167.900112.7G14 L18 F19 K20 Q60G14-E16 PolarHBondContact O-N 3.43Å; E16-L18 VanDerWaalsContact C-N 3.26Å; E16-L18 PolarHBondContact O-N 2.82Å; E16-F19 PolarHBondContact O-N 3.11Å; E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 3.13Å; E16-Q60 PolarHBondContact OE1-NE2 3.4Å
17W88.7Confident85.1Confident41 Ų4150.7 Ų50.716%0.15522%0.222CC..Hα-helixtrans-65.5-25.6171.967.6-92.6000113.2R15 R21 I222 L224 H231 I232 D235R15-W17 PolarHBondContact O-N 2.9Å; W17-R21 WeakPolarHBondContact O-CB 3.28Å; W17-R21 PolarHBondContact O-N 2.87Å; W17-I222 HydrophobicContact CH2-CG2 3.78Å; W17-I222 HydrophobicContact CZ3-CG2 3.65Å; W17-L224 HydrophobicContact CH2-CD2 3.79Å; W17-L224 HydrophobicContact CZ2-CD2 3.91Å; W17-H231 AromaticContact CD2-CD2 3.8Å; W17-H231 AromaticContact CE2-CD2 3.57Å; W17-H231 HydrophobicContact CG-CB 4.39Å; W17-H231 AromaticContact CZ2-CD2 3.97Å; W17-H231 AromaticContact NE1-CD2 3.69Å; W17-I232 HydrophobicContact CZ2-CD1 4.24Å; W17-I232 HydrophobicContact CZ2-CG1 4.1Å; W17-D235 PolarHBondContact NE1-OD2 3.41Å
18L90.5Very high85.1Confident2 Ų252.4 Ų52.41%0.0123%0.234CC..Hα-helixtrans-68.2-45.4177-179.564.2000110.1R15 E16 R21 I22 V35 C46 I222 L224R15-L18 HydrophobicContact CB-CB 4.03Å; R15-L18 HydrophobicContact CB-CD2 4.42Å; R15-L18 WeakPolarHBondContact O-CA 3.41Å; R15-L18 WeakPolarHBondContact O-CB 3.08Å; R15-L18 PolarHBondContact O-N 3.34Å; E16-L18 VanDerWaalsContact C-N 3.26Å; E16-L18 PolarHBondContact O-N 2.82Å; L18-R21 PolarHBondContact O-N 3.21Å; L18-R21 VanDerWaalsContact O-N 3.17Å; L18-I22 HydrophobicContact CD1-CD1 4.07Å; L18-I22 HydrophobicContact CD1-CG1 4.3Å; L18-I22 HydrophobicContact CD2-CD1 4.49Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 HydrophobicContact CG-CG1 4.46Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.5Å; L18-I22 PolarHBondContact O-N 3.45Å; L18-V35 HydrophobicContact CD1-CG1 4.32Å; L18-V35 HydrophobicContact CD1-CG2 4.17Å; L18-V35 HydrophobicContact CD2-CG1 4.31Å; L18-C46 HydrophobicContact CD2-CB 3.93Å; L18-I222 HydrophobicContact CD1-CB 4.44Å; L18-I222 HydrophobicContact CD1-CD1 4.01Å; L18-I222 HydrophobicContact CD1-CG2 3.74Å; L18-L224 HydrophobicContact CD1-CD2 4.06Å; L18-L224 HydrophobicContact CD2-CD1 4.37Å; L18-L224 HydrophobicContact CD2-CD2 3.97Å; L18-L224 HydrophobicContact CG-CD2 4.48Å
19F92Very high84.8Confident1 Ų150.1 Ų50.10%0.00423%0.233CC..Hα-helixtrans-62.9-44.2176.6-51.6-54.3000111.1E16 R21 I22 L23 C46 E49 I50 L59 Q60 L63E16-F19 PolarHBondContact O-N 3.11Å; F19-R21 VanDerWaalsContact C-N 3.32Å; F19-R21 PolarHBondContact O-N 3.05Å; F19-I22 PolarHBondContact O-N 3.18Å; F19-L23 WeakPolarHBondContact O-CB 3.3Å; F19-L23 PolarHBondContact O-N 3.48Å; F19-C46 HydrophobicContact CE1-CB 4.06Å; F19-C46 HydrophobicContact CZ-CB 4.2Å; F19-E49 HydrophobicContact CZ-CB 4.37Å; F19-E49 HydrophobicContact CZ-CG 4.47Å; F19-I50 HydrophobicContact CD1-CD1 3.92Å; F19-I50 HydrophobicContact CD1-CG1 3.86Å; F19-I50 HydrophobicContact CE1-CD1 3.9Å; F19-I50 HydrophobicContact CE1-CG1 3.74Å; F19-L59 HydrophobicContact CB-CB 4.14Å; F19-Q60 HydrophobicContact CD1-CG 3.98Å; F19-Q60 VanDerWaalsContact CD2-CD 3.45Å; F19-Q60 HydrophobicContact CD2-CG 3.61Å; F19-Q60 HydrophobicContact CE1-CG 4.04Å; F19-Q60 HydrophobicContact CE2-CG 3.69Å; F19-Q60 VanDerWaalsContact CE2-NE2 3.26Å; F19-Q60 HydrophobicContact CG-CG 3.79Å; F19-Q60 HydrophobicContact CZ-CG 3.9Å; F19-L63 HydrophobicContact CB-CD1 3.97Å; F19-L63 HydrophobicContact CD1-CD1 4.15Å; F19-L63 HydrophobicContact CG-CD1 4.5Å
20K91.2Very high84.9Confident128 Ų12843.6 Ų43.656%0.55721%0.212SC*.Hα-helixtrans-54.9-46170.8-67.1176.4-176.4178.20111.9E16 H24 L59E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 3.13Å; K20-H24 WeakPolarHBondContact O-CB 3.32Å; K20-H24 PolarHBondContact O-N 3.48Å; K20-L59 HydrophobicContact CB-CD1 4.45Å; K20-L59 HydrophobicContact CD-CD1 4.23Å; K20-L59 HydrophobicContact CG-CD1 3.32Å
21R90.9Very high85Confident94 Ų9444.5 Ų44.536%0.35522%0.216SC..Hα-helixtrans-71.5-38-176.6-162.9171.5-173.1107.91112.5W17 L18 F19 C25 I222W17-R21 WeakPolarHBondContact O-CB 3.28Å; W17-R21 PolarHBondContact O-N 2.87Å; L18-R21 PolarHBondContact O-N 3.21Å; L18-R21 VanDerWaalsContact O-N 3.17Å; F19-R21 VanDerWaalsContact C-N 3.32Å; F19-R21 PolarHBondContact O-N 3.05Å; R21-C25 PolarHBondContact O-N 2.84Å; R21-C25 PolarHBondContact O-SG 3.44Å; R21-I222 HydrophobicContact CB-CD1 4.33Å; R21-I222 HydrophobicContact CG-CD1 3.91Å
22I90.9Very high85.3Confident2 Ų239.3 Ų39.31%0.0120%0.197CC..Hα-helixtrans-63.2-50.3172.9-69.4164.9000110.1L18 F19 H24 C25 L26 I50 L63 L202L18-I22 HydrophobicContact CD1-CD1 4.07Å; L18-I22 HydrophobicContact CD1-CG1 4.3Å; L18-I22 HydrophobicContact CD2-CD1 4.49Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 HydrophobicContact CG-CG1 4.46Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.5Å; L18-I22 PolarHBondContact O-N 3.45Å; F19-I22 PolarHBondContact O-N 3.18Å; I22-H24 VanDerWaalsContact C-N 3.31Å; I22-H24 PolarHBondContact O-N 2.97Å; I22-C25 PolarHBondContact O-N 2.93Å; I22-C25 VanDerWaalsContact O-N 3.12Å; I22-L26 WeakPolarHBondContact O-CB 3.42Å; I22-L26 PolarHBondContact O-N 3.27Å; I22-I50 HydrophobicContact CD1-CD1 4.27Å; I22-L63 HydrophobicContact CG2-CD1 4.34Å; I22-L63 HydrophobicContact CG2-CD2 3.93Å; I22-L202 HydrophobicContact CD1-CD1 3.96Å; I22-L202 HydrophobicContact CD1-CD2 3.94Å; I22-L202 HydrophobicContact CG1-CD1 4.14Å; I22-L202 HydrophobicContact CG2-CD2 4.23Å
23L89.5Confident85.7Confident24 Ų2438.5 Ų38.513%0.12619%0.193CC..Hα-helixtrans-58.9-41.9179-178.160.7000112F19 L26 N27 L59 V62 L63F19-L23 WeakPolarHBondContact O-CB 3.3Å; F19-L23 PolarHBondContact O-N 3.48Å; L23-L26 PolarHBondContact O-N 3.03Å; L23-N27 WeakPolarHBondContact O-CB 3.5Å; L23-N27 VanDerWaalsContact O-CG 3.24Å; L23-N27 PolarHBondContact O-N 3.2Å; L23-N27 PolarHBondContact O-ND2 3.24Å; L23-L59 HydrophobicContact CD2-CD2 4Å; L23-V62 HydrophobicContact CD1-CG1 4.23Å; L23-V62 HydrophobicContact CD2-CG1 4.32Å; L23-L63 HydrophobicContact CB-CD2 4.12Å; L23-L63 HydrophobicContact CD1-CD2 4.21Å
24H89.2Confident86.4Confident93 Ų9338.2 Ų38.243%0.43119%0.192SC..Hα-helixtrans-61.1-48.6172.7163.884000112.2K20 I22 L26 N27 T28 R220K20-H24 WeakPolarHBondContact O-CB 3.32Å; K20-H24 PolarHBondContact O-N 3.48Å; I22-H24 VanDerWaalsContact C-N 3.31Å; I22-H24 PolarHBondContact O-N 2.97Å; H24-L26 VanDerWaalsContact C-N 3.27Å; H24-L26 PolarHBondContact O-N 2.98Å; H24-N27 PolarHBondContact O-N 3.16Å; H24-N27 VanDerWaalsContact O-N 3.17Å; H24-T28 WeakPolarHBondContact O-CG2 3.49Å; H24-T28 PolarHBondContact O-N 3.21Å; H24-T28 PolarHBondContact O-OG1 2.96Å; H24-R220 PolarHBondContact CD2-NH1 2.97Å; H24-R220 PolarHBondContact NE2-NH1 3.23Å; H24-R220 VanDerWaalsContact NE2-NH1 3.13Å
25C87.7Confident87Confident0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-62.5-33.4-179.7-64.70000113.4R21 I22 T28 T30 V33 F200 R220R21-C25 PolarHBondContact O-N 2.84Å; R21-C25 PolarHBondContact O-SG 3.44Å; I22-C25 PolarHBondContact O-N 2.93Å; I22-C25 VanDerWaalsContact O-N 3.12Å; C25-T28 PolarHBondContact O-OG1 3.46Å; C25-T30 WeakPolarHBondContact CB-OG1 3.42Å; C25-T30 PolarHBondContact O-N 3.47Å; C25-T30 PolarHBondContact O-OG1 2.87Å; C25-V33 HydrophobicContact CB-CG2 3.77Å; C25-F200 HydrophobicContact CB-CE2 3.94Å; C25-F200 HydrophobicContact CB-CZ 4.17Å; C25-R220 WeakPolarHBondContact SG-CD 3.49Å; C25-R220 PolarHBondContact SG-NH1 3.38Å
26L85Confident87.2Confident0 Ų038.6 Ų38.60%019%0.192CC..Hα-helixtrans-70.5-41.9175.6-176.5138.9000111.2I22 L23 H24 C158 F161 F200I22-L26 WeakPolarHBondContact O-CB 3.42Å; I22-L26 PolarHBondContact O-N 3.27Å; L23-L26 PolarHBondContact O-N 3.03Å; H24-L26 VanDerWaalsContact C-N 3.27Å; H24-L26 PolarHBondContact O-N 2.98Å; L26-C158 WeakPolarHBondContact CD2-O 3.38Å; L26-C158 HydrophobicContact CG-CB 4.37Å; L26-C158 WeakPolarHBondContact CG-O 3.27Å; L26-C158 PolarHBondContact O-N 2.78Å; L26-C158 VanDerWaalsContact O-N 3.08Å; L26-F161 HydrophobicContact CD1-CB 3.9Å; L26-F161 HydrophobicContact CD1-CD1 3.53Å; L26-F161 HydrophobicContact CD1-CE1 4.34Å; L26-F161 HydrophobicContact CD1-CG 4.04Å; L26-F200 HydrophobicContact CB-CD2 4.04Å; L26-F200 HydrophobicContact CB-CE2 4.13Å; L26-F200 HydrophobicContact CB-CG 4.41Å; L26-F200 HydrophobicContact CD1-CB 4.01Å; L26-F200 HydrophobicContact CD1-CD1 4.19Å; L26-F200 HydrophobicContact CD1-CD2 4.47Å; L26-F200 HydrophobicContact CD1-CG 4.02Å; L26-F200 HydrophobicContact CG-CB 4.4Å; L26-F200 HydrophobicContact CG-CD2 4.38Å; L26-F200 HydrophobicContact CG-CG 4.38Å
27N84.2Confident87.2Confident81 Ų8136.1 Ų36.143%0.43318%0.181SC..Hα-helixtrans-66.6-35.6173.8-69.7-19000113L23 H24 G29 R66L23-N27 WeakPolarHBondContact O-CB 3.5Å; L23-N27 VanDerWaalsContact O-CG 3.24Å; L23-N27 PolarHBondContact O-N 3.2Å; L23-N27 PolarHBondContact O-ND2 3.24Å; H24-N27 PolarHBondContact O-N 3.16Å; H24-N27 VanDerWaalsContact O-N 3.17Å; N27-G29 VanDerWaalsContact C-N 3.27Å; N27-G29 PolarHBondContact O-N 3.24Å; N27-R66 PolarHBondContact OD1-NH1 3.03Å
28T79.1Confident87.1Confident76 Ų7638 Ų3847%0.46619%0.191SC..THydrogen-bonded Turntrans-8518.9-178.463.80000114.6H24 C25 T30H24-T28 WeakPolarHBondContact O-CG2 3.49Å; H24-T28 PolarHBondContact O-N 3.21Å; H24-T28 PolarHBondContact O-OG1 2.96Å; C25-T28 PolarHBondContact O-OG1 3.46Å; T28-T30 VanDerWaalsContact C-N 3.28Å; T28-T30 PolarHBondContact O-N 2.86Å
29G71.5Confident86.8Confident35 Ų3539.6 Ų39.636%0.36120%0.202SC..THydrogen-bonded Turntrans65.719.4172.900000116.2N27N27-G29 VanDerWaalsContact C-N 3.27Å; N27-G29 PolarHBondContact O-N 3.24Å
30T77.9Confident86.6Confident38 Ų3840 Ų4023%0.23321%0.206CC..  trans-73.2138.3173.663.70000110.2C25 T28 G32 F200C25-T30 WeakPolarHBondContact CB-OG1 3.42Å; C25-T30 PolarHBondContact O-N 3.47Å; C25-T30 PolarHBondContact O-OG1 2.87Å; T28-T30 VanDerWaalsContact C-N 3.28Å; T28-T30 PolarHBondContact O-N 2.86Å; T30-G32 PolarHBondContact O-N 2.99Å; T30-G32 VanDerWaalsContact O-N 3.11Å; T30-F200 WeakPolarHBondContact O-CD2 3.47Å
31K82Confident86.4Confident119 Ų11934 Ų3452%0.51718%0.181SC..SBendtrans-64-19.5-175.3-66-174.1177.5-177.80114.3T201 F219K31-T201 PolarHBondContact O-N 3.38Å; K31-T201 VanDerWaalsContact O-N 3.15Å; K31-F219 HydrophobicContact CB-CD1 4.27Å; K31-F219 HydrophobicContact CB-CE1 3.96Å
32G87.6Confident86.3Confident0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans172.6174.7177.400000114.1T30 T201 F219 R220T30-G32 PolarHBondContact O-N 2.99Å; T30-G32 VanDerWaalsContact O-N 3.11Å; G32-T201 CarbonylContact C-O 3.58Å; G32-T201 WeakPolarHBondContact CA-O 3.45Å; G32-F219 CarbonylContact O-C 3.35Å; G32-F219 WeakPolarHBondContact O-CA 3.27Å; G32-R220 PolarHBondContact O-N 2.93Å
33V92.3Very high86.2Confident0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-127.4140.2177.3157.50000109.8C25 V35 F200 T201 L202 C203 R220 I222C25-V33 HydrophobicContact CB-CG2 3.77Å; V33-V35 HydrophobicContact CG1-CG2 3.8Å; V33-F200 HydrophobicContact CB-CE1 4.23Å; V33-F200 HydrophobicContact CB-CZ 3.75Å; V33-F200 HydrophobicContact CG2-CE2 4.26Å; V33-F200 HydrophobicContact CG2-CZ 3.57Å; V33-T201 PolarHBondContact N-O 2.9Å; V33-L202 HydrophobicContact CB-CD1 4.02Å; V33-L202 HydrophobicContact CG1-CD1 3.73Å; V33-C203 PolarHBondContact O-N 3.26Å; V33-R220 VanDerWaalsContact CA-O 3.29Å; V33-R220 WeakPolarHBondContact CA-O 3.21Å; V33-R220 HydrophobicContact CG2-CB 4.09Å; V33-I222 HydrophobicContact CG1-CD1 3.62Å; V33-I222 HydrophobicContact CG1-CG1 4.01Å; V33-I222 HydrophobicContact CG2-CD1 4.26Å
34V92.2Very high86.2Confident8 Ų831.4 Ų31.45%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-111.7114.2166.1-172.70000109.2I36 C203 I212 F216 F219 R220 K221 I222V34-I36 HydrophobicContact CG1-CG2 3.77Å; V34-C203 CarbonylContact C-O 3.54Å; V34-C203 WeakPolarHBondContact CA-O 3.42Å; V34-I212 HydrophobicContact CG1-CG2 3.71Å; V34-I212 HydrophobicContact CG2-CG2 4.34Å; V34-F216 HydrophobicContact CG2-CB 4.31Å; V34-F216 HydrophobicContact CG2-CD2 4.48Å; V34-F219 HydrophobicContact CG2-CB 3.88Å; V34-F219 HydrophobicContact CG2-CD2 3.83Å; V34-F219 HydrophobicContact CG2-CG 4.38Å; V34-R220 PolarHBondContact N-O 3.09Å; V34-R220 VanDerWaalsContact N-O 3.11Å; V34-K221 WeakPolarHBondContact O-CA 3.42Å; V34-I222 PolarHBondContact O-N 3.3Å
35V92.2Very high86.3Confident4 Ų427.7 Ų27.72%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-88.8110.5173.5-172.90000109.2L18 V33 K43 L202 C203 T204 S205 L224L18-V35 HydrophobicContact CD1-CG1 4.32Å; L18-V35 HydrophobicContact CD1-CG2 4.17Å; L18-V35 HydrophobicContact CD2-CG1 4.31Å; V33-V35 HydrophobicContact CG1-CG2 3.8Å; V35-K43 HydrophobicContact CG1-CG 4.44Å; V35-L202 HydrophobicContact CG2-CD1 3.9Å; V35-C203 PolarHBondContact N-O 3.02Å; V35-T204 HydrophobicContact CB-CG2 4.28Å; V35-T204 CarbonylContact O-C 3.57Å; V35-T204 VanDerWaalsContact O-CA 3.26Å; V35-T204 WeakPolarHBondContact O-CA 3.38Å; V35-S205 PolarHBondContact O-N 3.11Å; V35-L224 HydrophobicContact CG1-CD1 3.66Å; V35-L224 HydrophobicContact CG1-CD2 3.97Å; V35-L224 HydrophobicContact CG1-CG 3.7Å
36I90.4Very high86.4Confident12 Ų1227.9 Ų27.96%0.06216%0.163CC..EExtended strand (participates in β ladder)trans-108.5155.8178.366137.8000112.9V34 S205 R207 K221 I222 T223 L224V34-I36 HydrophobicContact CG1-CG2 3.77Å; I36-S205 WeakPolarHBondContact CA-O 3.49Å; I36-R207 HydrophobicContact CD1-CB 4.23Å; I36-R207 HydrophobicContact CD1-CG 4.08Å; I36-K221 HydrophobicContact CG1-CG 4.17Å; I36-I222 WeakPolarHBondContact CG1-O 3.47Å; I36-I222 PolarHBondContact N-O 3.27Å; I36-T223 HydrophobicContact CD1-CG2 4.14Å; I36-T223 HydrophobicContact CG1-CG2 4.38Å; I36-T223 WeakPolarHBondContact O-CA 3.49Å; I36-L224 PolarHBondContact O-N 2.76Å
37G86.9Confident86.7Confident0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans171.1175159.400000112.4K43 S205 R206 R207 D225G37-K43 PolarHBondContact O-NZ 3.3Å; G37-S205 PolarHBondContact N-O 3.08Å; G37-R206 WeakPolarHBondContact O-CA 2.91Å; G37-R207 PolarHBondContact O-N 3.04Å; G37-D225 WeakPolarHBondContact CA-OD1 3.34Å; G37-D225 WeakPolarHBondContact CA-OD2 3.47Å
38E86.4Confident87Confident82 Ų8224.4 Ų24.438%0.38315%0.145SC..SBendtrans-57.3165173.1-82.6165-142.600114.1C41 K43 R207 D225E38-C41 PolarHBondContact O-SG 3.07Å; E38-K43 PolarHBondContact O-NZ 2.86Å; E38-R207 IonicContact OE1-CZ 2.76Å; E38-R207 IonicContact OE1-NH1 2.86Å; E38-R207 PolarHBondContact OE1-NH1 2.63Å; E38-R207 VanDerWaalsContact OE1-NH1 3.12Å; E38-D225 HydrophobicContact CB-CB 4.22Å; E38-D225 WeakPolarHBondContact CG-OD2 3.13Å; E38-D225 PolarHBondContact N-OD2 3.37Å
39P84.6Confident87.6Confident35 Ų3520.9 Ų20.923%0.22712%0.123CC..THydrogen-bonded Turntrans-58.3146.5178.8-22.734.4000112.8C41 C275 L303P39-C41 VanDerWaalsContact C-N 3.25Å; P39-C41 PolarHBondContact O-N 2.78Å; P39-C275 PolarHBondContact O-SG 2.97Å; P39-C275 VanDerWaalsContact O-SG 3.37Å; P39-L303 HydrophobicContact CB-CD2 4.45Å
40G86.4Confident88.5Confident10 Ų1019.3 Ų19.310%0.10311%0.107CC..THydrogen-bonded Turntrans72.6-1.4176.700000117.1G42 F276 L277G40-G42 PolarHBondContact O-N 3.29Å; G40-F276 PolarHBondContact O-N 3.4Å; G40-L277 PolarHBondContact O-N 2.99Å
41C88.2Confident89Confident2 Ų218.1 Ų18.11%0.01410%0.099CC..SBendtrans-725.7-178.572.20000116.6R15 E38 P39 K43 L224 D225R15-C41 PolarHBondContact NH2-O 3.47Å; R15-C41 VanDerWaalsContact NH2-O 3.1Å; E38-C41 PolarHBondContact O-SG 3.07Å; P39-C41 VanDerWaalsContact C-N 3.25Å; P39-C41 PolarHBondContact O-N 2.78Å; C41-K43 PolarHBondContact SG-NZ 2.83Å; C41-K43 VanDerWaalsContact SG-NZ 3.35Å; C41-L224 HydrophobicContact CB-CB 4.38Å; C41-D225 HydrophobicContact CB-CB 4.43Å
42G88Confident89.4Confident10 Ų1014.8 Ų14.810%0.1038%0.083CC..SBendtrans104.4-4.1173.800000117.2G40 T44 A45 C46G40-G42 PolarHBondContact O-N 3.29Å; G42-T44 PolarHBondContact O-N 3.41Å; G42-A45 WeakPolarHBondContact O-CA 3.27Å; G42-A45 WeakPolarHBondContact O-CB 3.44Å; G42-A45 PolarHBondContact O-N 3.36Å; G42-C46 PolarHBondContact O-N 2.93Å; G42-C46 PolarHBondContact O-SG 2.94Å
43K89.8Confident89.4Confident18 Ų1816.6 Ų16.68%0.0789%0.094CC..Hα-helixtrans-43.8-64.3-174.5-68.4-178.5-64.8-73.10114.6V35 G37 E38 C41 A45 C46 C47 T204 S205 L224V35-K43 HydrophobicContact CG1-CG 4.44Å; G37-K43 PolarHBondContact O-NZ 3.3Å; E38-K43 PolarHBondContact O-NZ 2.86Å; C41-K43 PolarHBondContact SG-NZ 2.83Å; C41-K43 VanDerWaalsContact SG-NZ 3.35Å; K43-A45 PolarHBondContact O-N 2.93Å; K43-C46 WeakPolarHBondContact O-CB 3.34Å; K43-C46 PolarHBondContact O-N 2.93Å; K43-C47 PolarHBondContact O-N 3.44Å; K43-C47 VanDerWaalsContact O-N 3.1Å; K43-T204 HydrophobicContact CB-CG2 4.5Å; K43-S205 WeakPolarHBondContact CD-O 3.31Å; K43-S205 WeakPolarHBondContact CE-O 3.4Å; K43-L224 HydrophobicContact CG-CD1 3.84Å
44T89.4Confident89Confident37 Ų3719.2 Ų19.223%0.22711%0.111CC..Hα-helixtrans-63.6-30.5-178.2-47.80000112.3L7 G42 C47 C48 F72 D165L7-T44 HydrophobicContact CD1-CG2 4.45Å; G42-T44 PolarHBondContact O-N 3.41Å; T44-C47 WeakPolarHBondContact O-CB 3.24Å; T44-C47 PolarHBondContact O-N 3.48Å; T44-C48 PolarHBondContact O-N 3.22Å; T44-C48 PolarHBondContact O-SG 3.32Å; T44-F72 HydrophobicContact CG2-CD1 3.96Å; T44-F72 HydrophobicContact CG2-CE1 3.79Å; T44-D165 WeakPolarHBondContact CA-OD1 3.14Å; T44-D165 WeakPolarHBondContact CB-OD2 3.39Å; T44-D165 WeakPolarHBondContact CG2-OD2 3.43Å; T44-D165 PolarHBondContact OG1-OD1 3.3Å; T44-D165 PolarHBondContact OG1-OD2 3.11Å
45A89.7Confident88.5Confident15 Ų1523.1 Ų23.112%0.12413%0.125CC..Hα-helixtrans-69.1-42.4175.200000111.7L7 F12 G42 K43 C47 C48 E49L7-A45 HydrophobicContact CD1-CB 4.02Å; F12-A45 HydrophobicContact CB-CB 4.27Å; F12-A45 HydrophobicContact CD1-CB 4.46Å; F12-A45 HydrophobicContact CD2-CB 3.41Å; F12-A45 VanDerWaalsContact CD2-CB 3.41Å; F12-A45 HydrophobicContact CE2-CB 3.8Å; F12-A45 HydrophobicContact CG-CB 3.78Å; F12-A45 HydrophobicContact CZ-CB 4.47Å; G42-A45 WeakPolarHBondContact O-CA 3.27Å; G42-A45 WeakPolarHBondContact O-CB 3.44Å; G42-A45 PolarHBondContact O-N 3.36Å; K43-A45 PolarHBondContact O-N 2.93Å; A45-C47 VanDerWaalsContact C-N 3.28Å; A45-C47 PolarHBondContact O-N 3.15Å; A45-C48 PolarHBondContact O-N 3.47Å; A45-C48 VanDerWaalsContact O-N 3.16Å; A45-E49 PolarHBondContact O-N 2.94Å
46C90.6Very high87.8Confident4 Ų429.8 Ų29.83%0.02716%0.159CC..Hα-helixtrans-59.6-38.6171.5-58.70000111.9F12 L18 F19 G42 K43 I50F12-C46 VanDerWaalsContact CE1-SG 3.51Å; L18-C46 HydrophobicContact CD2-CB 3.93Å; F19-C46 HydrophobicContact CE1-CB 4.06Å; F19-C46 HydrophobicContact CZ-CB 4.2Å; G42-C46 PolarHBondContact O-N 2.93Å; G42-C46 PolarHBondContact O-SG 2.94Å; K43-C46 WeakPolarHBondContact O-CB 3.34Å; K43-C46 PolarHBondContact O-N 2.93Å; C46-I50 WeakPolarHBondContact O-CG1 3.39Å; C46-I50 PolarHBondContact O-N 2.89Å; C46-I50 VanDerWaalsContact O-N 3.15Å
47C91.1Very high87Confident3 Ų336.3 Ų36.32%0.0219%0.193CC..Hα-helixtrans-64.3-44.7172.7-70.80000112.3K43 T44 A45 E49 I50 I51 F72 M163 D165 T204K43-C47 PolarHBondContact O-N 3.44Å; K43-C47 VanDerWaalsContact O-N 3.1Å; T44-C47 WeakPolarHBondContact O-CB 3.24Å; T44-C47 PolarHBondContact O-N 3.48Å; A45-C47 VanDerWaalsContact C-N 3.28Å; A45-C47 PolarHBondContact O-N 3.15Å; C47-E49 VanDerWaalsContact C-N 3.35Å; C47-E49 PolarHBondContact O-N 3.4Å; C47-I50 PolarHBondContact O-N 3.44Å; C47-I51 WeakPolarHBondContact O-CD1 3.45Å; C47-I51 WeakPolarHBondContact O-CG1 3.42Å; C47-I51 PolarHBondContact O-N 2.92Å; C47-I51 VanDerWaalsContact O-N 3.09Å; C47-F72 HydrophobicContact CB-CE1 4.2Å; C47-M163 HydrophobicContact CB-CE 3.56Å; C47-M163 HydrophobicContact CB-SD 3.79Å; C47-M163 WeakPolarHBondContact O-CE 2.98Å; C47-M163 PolarHBondContact SG-SD 3.46Å; C47-D165 HydrophobicContact CB-CB 4.43Å; C47-T204 WeakPolarHBondContact SG-CG2 3.42Å
48C90.9Very high86.8Confident4 Ų436.9 Ų36.93%0.02720%0.198CC..Hα-helixtrans-61.2-41.9176.9-670000112.1L7 T44 A45 I50 I51 W52L7-C48 HydrophobicContact CB-CB 4.3Å; T44-C48 PolarHBondContact O-N 3.22Å; T44-C48 PolarHBondContact O-SG 3.32Å; A45-C48 PolarHBondContact O-N 3.47Å; A45-C48 VanDerWaalsContact O-N 3.16Å; C48-I50 VanDerWaalsContact C-N 3.29Å; C48-I50 PolarHBondContact O-N 3.41Å; C48-I51 PolarHBondContact O-N 3.31Å; C48-W52 HydrophobicContact CB-CE3 4.08Å; C48-W52 HydrophobicContact CB-CZ3 4.23Å; C48-W52 PolarHBondContact O-N 3.27Å
49E90.7Very high86.9Confident2 Ų235.3 Ų35.31%0.00919%0.192CC..Hα-helixtrans-67-27.8177-163.669.3-138.600112.3F12 F19 A45 C47 P53 T54 Q60F12-E49 HydrophobicContact CB-CB 4.32Å; F12-E49 PolarHBondContact N-OE2 3.07Å; F19-E49 HydrophobicContact CZ-CB 4.37Å; F19-E49 HydrophobicContact CZ-CG 4.47Å; A45-E49 PolarHBondContact O-N 2.94Å; C47-E49 VanDerWaalsContact C-N 3.35Å; C47-E49 PolarHBondContact O-N 3.4Å; E49-P53 WeakPolarHBondContact O-CA 3.32Å; E49-P53 WeakPolarHBondContact O-CB 3.5Å; E49-P53 VanDerWaalsContact O-N 3.15Å; E49-T54 WeakPolarHBondContact OE1-CB 3.37Å; E49-T54 PolarHBondContact OE1-N 2.86Å; E49-T54 PolarHBondContact OE1-OG1 2.84Å; E49-T54 PolarHBondContact OE2-OG1 3.38Å; E49-Q60 HydrophobicContact CG-CB 4.41Å; E49-Q60 HydrophobicContact CG-CG 3.95Å
50I90.7Very high87.1Confident2 Ų233.8 Ų33.81%0.0118%0.181CC..Hα-helixtrans-73.6-35.6171.9-70.2165.5000111.9F19 I22 C46 C47 C48 L63 N64 F161 M163 L202F19-I50 HydrophobicContact CD1-CD1 3.92Å; F19-I50 HydrophobicContact CD1-CG1 3.86Å; F19-I50 HydrophobicContact CE1-CD1 3.9Å; F19-I50 HydrophobicContact CE1-CG1 3.74Å; I22-I50 HydrophobicContact CD1-CD1 4.27Å; C46-I50 WeakPolarHBondContact O-CG1 3.39Å; C46-I50 PolarHBondContact O-N 2.89Å; C46-I50 VanDerWaalsContact O-N 3.15Å; C47-I50 PolarHBondContact O-N 3.44Å; C48-I50 VanDerWaalsContact C-N 3.29Å; C48-I50 PolarHBondContact O-N 3.41Å; I50-L63 HydrophobicContact CD1-CD1 4.22Å; I50-L63 HydrophobicContact CG1-CD1 4.18Å; I50-L63 HydrophobicContact CG2-CB 4.16Å; I50-N64 WeakPolarHBondContact O-CB 3.24Å; I50-N64 PolarHBondContact O-ND2 2.91Å; I50-F161 HydrophobicContact CG2-CE2 4.22Å; I50-F161 HydrophobicContact CG2-CZ 3.83Å; I50-M163 HydrophobicContact CD1-SD 4.39Å; I50-M163 HydrophobicContact CG2-SD 4.36Å; I50-L202 HydrophobicContact CD1-CD2 4.1Å
51I89.7Confident87.1Confident13 Ų1337.2 Ų37.27%0.06720%0.195CC..Hα-helixtrans-80-37.7179.7-60.3153.9000111.5C47 C48 N64 L67 Y70 F72 M163C47-I51 WeakPolarHBondContact O-CD1 3.45Å; C47-I51 WeakPolarHBondContact O-CG1 3.42Å; C47-I51 PolarHBondContact O-N 2.92Å; C47-I51 VanDerWaalsContact O-N 3.09Å; C48-I51 PolarHBondContact O-N 3.31Å; I51-N64 VanDerWaalsContact C-ND2 3.32Å; I51-N64 PolarHBondContact O-ND2 2.96Å; I51-L67 HydrophobicContact CB-CD2 4.43Å; I51-L67 HydrophobicContact CG1-CD2 3.82Å; I51-Y70 HydrophobicContact CD1-CD1 4.24Å; I51-Y70 HydrophobicContact CD1-CD2 3.48Å; I51-Y70 VanDerWaalsContact CD1-CD2 3.48Å; I51-Y70 HydrophobicContact CD1-CE2 4.09Å; I51-Y70 HydrophobicContact CD1-CG 3.57Å; I51-Y70 HydrophobicContact CG1-CD1 3.98Å; I51-Y70 HydrophobicContact CG1-CD2 4.14Å; I51-Y70 HydrophobicContact CG1-CG 3.75Å; I51-Y70 HydrophobicContact CG2-CD1 3.82Å; I51-Y70 HydrophobicContact CG2-CD2 4.43Å; I51-Y70 HydrophobicContact CG2-CE1 3.59Å; I51-Y70 HydrophobicContact CG2-CE2 4.22Å; I51-Y70 HydrophobicContact CG2-CG 4.25Å; I51-F72 HydrophobicContact CD1-CE1 4.42Å; I51-F72 HydrophobicContact CD1-CE2 3.54Å; I51-F72 HydrophobicContact CD1-CZ 3.36Å; I51-M163 HydrophobicContact CD1-CE 3.38Å; I51-M163 HydrophobicContact CG1-CE 3.49Å; I51-M163 VanDerWaalsContact CG1-CE 3.49Å
52W89.6Confident87Confident50 Ų5040.4 Ų40.419%0.18921%0.214CC..SBendtrans-130.866.5-175.8-56.2-69.5000110.3C5 E8 R9 C48 T54 Y70 F72C5-W52 HydrophobicContact CB-CZ3 4.49Å; E8-W52 HydrophobicContact CB-CE3 4.31Å; E8-W52 HydrophobicContact CB-CH2 4.17Å; E8-W52 HydrophobicContact CB-CZ3 4.08Å; E8-W52 HydrophobicContact CG-CD2 3.93Å; E8-W52 HydrophobicContact CG-CE3 4.1Å; E8-W52 HydrophobicContact CG-CH2 4.11Å; E8-W52 HydrophobicContact CG-CZ2 3.94Å; E8-W52 HydrophobicContact CG-CZ3 4.19Å; R9-W52 HydrophobicContact CG-CB 3.97Å; R9-W52 HydrophobicContact CG-CG 4.14Å; C48-W52 HydrophobicContact CB-CE3 4.08Å; C48-W52 HydrophobicContact CB-CZ3 4.23Å; C48-W52 PolarHBondContact O-N 3.27Å; W52-T54 PolarHBondContact O-N 2.9Å; W52-Y70 HydrophobicContact CH2-CE2 4.45Å; W52-Y70 HydrophobicContact CZ2-CE2 4.44Å; W52-F72 AromaticContact CH2-CE2 3.98Å; W52-F72 HydrophobicContact CH2-CE2 3.98Å; W52-F72 HydrophobicContact CH2-CZ 4.43Å; W52-F72 HydrophobicContact CZ3-CE2 4.12Å; W52-F72 HydrophobicContact CZ3-CZ 4.09Å
53P87.3Confident87.1Confident37 Ų3739.9 Ų39.924%0.2421%0.209CC..  trans-58.9124.5-178.524.3-34.8000111.1E49 Q60 Q61 N64E49-P53 WeakPolarHBondContact O-CA 3.32Å; E49-P53 WeakPolarHBondContact O-CB 3.5Å; E49-P53 VanDerWaalsContact O-N 3.15Å; P53-Q60 HydrophobicContact CB-CB 3.93Å; P53-Q61 HydrophobicContact CB-CB 4.4Å; P53-Q61 HydrophobicContact CG-CB 4.29Å; P53-N64 HydrophobicContact CG-CB 4.13Å
54T85.2Confident87Confident55 Ų5540.7 Ų40.734%0.33721%0.214SC..  trans-88-10.9-177.264.50000113.2R11 E49 W52R11-T54 HydrophobicContact CB-CG2 4.15Å; E49-T54 WeakPolarHBondContact OE1-CB 3.37Å; E49-T54 PolarHBondContact OE1-N 2.86Å; E49-T54 PolarHBondContact OE1-OG1 2.84Å; E49-T54 PolarHBondContact OE2-OG1 3.38Å; W52-T54 PolarHBondContact O-N 2.9Å
55R81.3Confident86.7Confident91 Ų9141 Ų4134%0.34322%0.224SC..SBendtrans-112.2129.3176.9-62-178.1-175.6-156.3-2.3110.9S58R55-S58 VanDerWaalsContact O-CB 3.31Å; R55-S58 WeakPolarHBondContact O-CB 3.27Å; R55-S58 PolarHBondContact O-OG 3.41Å
56I77.1Confident86.6Confident144 Ų14443.7 Ų43.774%0.73823%0.231SC*.THydrogen-bonded Turntrans-67.8147.1169.6-57.7171.9000109S58I56-S58 PolarHBondContact O-N 2.88Å
57D74Confident86.5Confident148 Ų14843.9 Ų43.979%0.79123%0.232SC*.THydrogen-bonded Turntrans55.632.6178.8-58.9-34.1000114.4
58S83.3Confident86.3Confident13 Ų1344.4 Ų44.49%0.09123%0.234CC..  trans-93.7158.6-179.265.40000113.3R55 I56 Q60 Q61 V62R55-S58 VanDerWaalsContact O-CB 3.31Å; R55-S58 WeakPolarHBondContact O-CB 3.27Å; R55-S58 PolarHBondContact O-OG 3.41Å; I56-S58 PolarHBondContact O-N 2.88Å; S58-Q60 PolarHBondContact O-N 3.29Å; S58-Q61 WeakPolarHBondContact O-CB 3.45Å; S58-Q61 PolarHBondContact O-N 2.76Å; S58-Q61 PolarHBondContact OG-N 2.73Å; S58-Q61 VanDerWaalsContact OG-N 3.12Å; S58-V62 PolarHBondContact O-N 3.48Å; S58-V62 VanDerWaalsContact O-N 3.09Å
59L87.4Confident86.2Confident49 Ų4944.2 Ų44.226%0.25723%0.233SC..Hα-helixtrans-61-29.8172.2-67.5170.9000111.7F19 K20 L23 V62 L63F19-L59 HydrophobicContact CB-CB 4.14Å; K20-L59 HydrophobicContact CB-CD1 4.45Å; K20-L59 HydrophobicContact CD-CD1 4.23Å; K20-L59 HydrophobicContact CG-CD1 3.32Å; L23-L59 HydrophobicContact CD2-CD2 4Å; L59-V62 PolarHBondContact O-N 2.82Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.35Å
60Q88.7Confident86.3Confident3 Ų346.7 Ų46.71%0.01424%0.243CC..Hα-helixtrans-66.4-37.9175.3-58.290.6-47.600110.6E16 F19 E49 P53 S58 L63 N64E16-Q60 PolarHBondContact OE1-NE2 3.4Å; F19-Q60 HydrophobicContact CD1-CG 3.98Å; F19-Q60 VanDerWaalsContact CD2-CD 3.45Å; F19-Q60 HydrophobicContact CD2-CG 3.61Å; F19-Q60 HydrophobicContact CE1-CG 4.04Å; F19-Q60 HydrophobicContact CE2-CG 3.69Å; F19-Q60 VanDerWaalsContact CE2-NE2 3.26Å; F19-Q60 HydrophobicContact CG-CG 3.79Å; F19-Q60 HydrophobicContact CZ-CG 3.9Å; E49-Q60 HydrophobicContact CG-CB 4.41Å; E49-Q60 HydrophobicContact CG-CG 3.95Å; P53-Q60 HydrophobicContact CB-CB 3.93Å; S58-Q60 PolarHBondContact O-N 3.29Å; Q60-L63 PolarHBondContact O-N 3.1Å; Q60-N64 WeakPolarHBondContact O-CB 3.5Å; Q60-N64 PolarHBondContact O-N 3.03Å
61Q86.4Confident86.3Confident82 Ų8247.5 Ų47.538%0.38325%0.246SC..Hα-helixtrans-67.9-38.2170-173.4177.7-23.200112.6P53 S58 N64 G65P53-Q61 HydrophobicContact CB-CB 4.4Å; P53-Q61 HydrophobicContact CG-CB 4.29Å; S58-Q61 WeakPolarHBondContact O-CB 3.45Å; S58-Q61 PolarHBondContact O-N 2.76Å; S58-Q61 PolarHBondContact OG-N 2.73Å; S58-Q61 VanDerWaalsContact OG-N 3.12Å; Q61-N64 WeakPolarHBondContact O-CB 3.25Å; Q61-N64 PolarHBondContact O-N 2.99Å; Q61-G65 PolarHBondContact O-N 3.3Å
62V86.7Confident86.3Confident68 Ų6848 Ų4841%0.41225%0.248SC..Hα-helixtrans-63.5-42.8173.1178.20000111.4L23 S58 L59 G65L23-V62 HydrophobicContact CD1-CG1 4.23Å; L23-V62 HydrophobicContact CD2-CG1 4.32Å; S58-V62 PolarHBondContact O-N 3.48Å; S58-V62 VanDerWaalsContact O-N 3.09Å; L59-V62 PolarHBondContact O-N 2.82Å; V62-G65 PolarHBondContact O-N 2.98Å
63L89Confident86.1Confident0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-65.7-41.1173.5-72.8172.2000111.5F19 I22 L23 I50 L59 Q60 G65 R66 L67 F161F19-L63 HydrophobicContact CB-CD1 3.97Å; F19-L63 HydrophobicContact CD1-CD1 4.15Å; F19-L63 HydrophobicContact CG-CD1 4.5Å; I22-L63 HydrophobicContact CG2-CD1 4.34Å; I22-L63 HydrophobicContact CG2-CD2 3.93Å; L23-L63 HydrophobicContact CB-CD2 4.12Å; L23-L63 HydrophobicContact CD1-CD2 4.21Å; I50-L63 HydrophobicContact CD1-CD1 4.22Å; I50-L63 HydrophobicContact CG1-CD1 4.18Å; I50-L63 HydrophobicContact CG2-CB 4.16Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.35Å; Q60-L63 PolarHBondContact O-N 3.1Å; L63-G65 VanDerWaalsContact C-N 3.27Å; L63-G65 PolarHBondContact O-N 3.31Å; L63-R66 CarbonylContact O-C 3.55Å; L63-R66 WeakPolarHBondContact O-CA 3.26Å; L63-R66 PolarHBondContact O-N 2.95Å; L63-L67 PolarHBondContact O-N 3.08Å; L63-F161 HydrophobicContact CB-CE1 4.32Å; L63-F161 HydrophobicContact CB-CZ 4.17Å; L63-F161 HydrophobicContact CD2-CE1 4.12Å; L63-F161 HydrophobicContact CD2-CZ 4.35Å; L63-F161 WeakPolarHBondContact O-CE1 3.41Å
64N88.9Confident85.6Confident34 Ų3446.5 Ų46.518%0.18224%0.242CC..Hα-helixtrans-57.6-40.2176.1-169.2-92.2000112.4I50 I51 P53 Q60 Q61 R66 L67 R102I50-N64 WeakPolarHBondContact O-CB 3.24Å; I50-N64 PolarHBondContact O-ND2 2.91Å; I51-N64 VanDerWaalsContact C-ND2 3.32Å; I51-N64 PolarHBondContact O-ND2 2.96Å; P53-N64 HydrophobicContact CG-CB 4.13Å; Q60-N64 WeakPolarHBondContact O-CB 3.5Å; Q60-N64 PolarHBondContact O-N 3.03Å; Q61-N64 WeakPolarHBondContact O-CB 3.25Å; Q61-N64 PolarHBondContact O-N 2.99Å; N64-R66 PolarHBondContact O-N 3.34Å; N64-L67 PolarHBondContact O-N 2.97Å; N64-R102 PolarHBondContact O-NH2 3.14Å; N64-R102 PolarHBondContact OD1-NH2 2.98Å
65G83.4Confident85Confident43 Ų4347.2 Ų47.244%0.44325%0.247SC..Hα-helixtrans-62-21.7174.700000114.5Q61 V62 L63Q61-G65 PolarHBondContact O-N 3.3Å; V62-G65 PolarHBondContact O-N 2.98Å; L63-G65 VanDerWaalsContact C-N 3.27Å; L63-G65 PolarHBondContact O-N 3.31Å
66R86Confident84.7Confident73 Ų7344 Ų4428%0.27524%0.235SC..Hα-helixtrans-105.1-3.1177.8-59.8-173.6-172.8-170.13.9114.1N27 L63 N64 S159 F160 F161N27-R66 PolarHBondContact OD1-NH1 3.03Å; L63-R66 CarbonylContact O-C 3.55Å; L63-R66 WeakPolarHBondContact O-CA 3.26Å; L63-R66 PolarHBondContact O-N 2.95Å; N64-R66 PolarHBondContact O-N 3.34Å; R66-S159 WeakPolarHBondContact CD-O 3.21Å; R66-F160 HydrophobicContact CB-CD1 4.39Å; R66-F160 WeakPolarHBondContact O-CA 3.34Å; R66-F160 WeakPolarHBondContact O-CD1 3.42Å; R66-F161 HydrophobicContact CB-CD1 4.08Å; R66-F161 HydrophobicContact CB-CE1 4.04Å; R66-F161 WeakPolarHBondContact O-CD1 3.5Å; R66-F161 PolarHBondContact O-N 3Å
67L88.7Confident84.6Confident7 Ų738.9 Ų38.94%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-81.4114.5177.4176.770.7000110.4I51 L63 N64 A69 Y70 R102 F161 M163I51-L67 HydrophobicContact CB-CD2 4.43Å; I51-L67 HydrophobicContact CG1-CD2 3.82Å; L63-L67 PolarHBondContact O-N 3.08Å; N64-L67 PolarHBondContact O-N 2.97Å; L67-A69 WeakPolarHBondContact CD1-O 3.3Å; L67-Y70 HydrophobicContact CD2-CD1 4.19Å; L67-R102 PolarHBondContact O-NH1 3.44Å; L67-F161 HydrophobicContact CB-CE1 4.14Å; L67-F161 HydrophobicContact CB-CE2 4.3Å; L67-F161 HydrophobicContact CB-CZ 3.91Å; L67-F161 HydrophobicContact CD1-CD2 3.85Å; L67-F161 HydrophobicContact CD1-CE2 3.53Å; L67-F161 HydrophobicContact CD1-CZ 4.03Å; L67-F161 HydrophobicContact CG-CE2 4.5Å; L67-M163 HydrophobicContact CD1-CB 3.83Å
68L87.2Confident84.6Confident14 Ų1433 Ų337%0.07318%0.182CC..EExtended strand (participates in β ladder)trans-84.5-40.4177.6-72.1172.2000113.2L94 A97 V105 F160 F161 W198 L199L68-L94 HydrophobicContact CB-CD2 4.01Å; L68-A97 HydrophobicContact CD2-CB 4.31Å; L68-V105 HydrophobicContact CD1-CG2 4.29Å; L68-V105 HydrophobicContact CD2-CG2 3.94Å; L68-F160 HydrophobicContact CD1-CB 3.52Å; L68-F160 HydrophobicContact CD1-CG 4.06Å; L68-F160 HydrophobicContact CD2-CD1 4.17Å; L68-F160 HydrophobicContact CD2-CG 4.37Å; L68-F160 HydrophobicContact CG-CB 3.82Å; L68-F160 HydrophobicContact CG-CD1 4.16Å; L68-F160 HydrophobicContact CG-CG 4.14Å; L68-F161 PolarHBondContact N-O 2.84Å; L68-W198 HydrophobicContact CD1-CH2 4.34Å; L68-W198 HydrophobicContact CD1-CZ3 3.79Å; L68-L199 HydrophobicContact CD1-CD1 4.02Å
69A90Very high84.2Confident1 Ų134.8 Ų34.81%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-157.2154.717800000111.2L67 L90 Q93 V162 M163L67-A69 WeakPolarHBondContact CD1-O 3.3Å; A69-L90 HydrophobicContact CB-CD1 3.43Å; A69-L90 VanDerWaalsContact CB-CD1 3.43Å; A69-Q93 VanDerWaalsContact CA-OE1 3.31Å; A69-Q93 HydrophobicContact CB-CB 3.66Å; A69-Q93 HydrophobicContact CB-CG 4.45Å; A69-V162 HydrophobicContact CB-CG2 4.28Å; A69-V162 WeakPolarHBondContact O-CA 3.43Å; A69-M163 PolarHBondContact O-N 2.91Å
70Y91.9Very high83.9Confident54 Ų5432.7 Ų32.721%0.21219%0.187CC..EExtended strand (participates in β ladder)trans-133.6158.8177.863.5-87000112I51 W52 L67 F72 Q93 M163I51-Y70 HydrophobicContact CD1-CD1 4.24Å; I51-Y70 HydrophobicContact CD1-CD2 3.48Å; I51-Y70 VanDerWaalsContact CD1-CD2 3.48Å; I51-Y70 HydrophobicContact CD1-CE2 4.09Å; I51-Y70 HydrophobicContact CD1-CG 3.57Å; I51-Y70 HydrophobicContact CG1-CD1 3.98Å; I51-Y70 HydrophobicContact CG1-CD2 4.14Å; I51-Y70 HydrophobicContact CG1-CG 3.75Å; I51-Y70 HydrophobicContact CG2-CD1 3.82Å; I51-Y70 HydrophobicContact CG2-CD2 4.43Å; I51-Y70 HydrophobicContact CG2-CE1 3.59Å; I51-Y70 HydrophobicContact CG2-CE2 4.22Å; I51-Y70 HydrophobicContact CG2-CG 4.25Å; W52-Y70 HydrophobicContact CH2-CE2 4.45Å; W52-Y70 HydrophobicContact CZ2-CE2 4.44Å; L67-Y70 HydrophobicContact CD2-CD1 4.19Å; Y70-F72 HydrophobicContact CD2-CD2 4.09Å; Y70-F72 AromaticContact CD2-CE2 3.77Å; Y70-F72 HydrophobicContact CD2-CE2 3.77Å; Y70-F72 HydrophobicContact CE2-CD2 4.36Å; Y70-F72 AromaticContact CE2-CE2 3.99Å; Y70-F72 HydrophobicContact CE2-CE2 3.99Å; Y70-Q93 VanDerWaalsContact CD1-OE1 3.26Å; Y70-Q93 PolarHBondContact O-NE2 3.39Å; Y70-Q93 PolarHBondContact O-OE1 3.25Å; Y70-M163 CarbonylContact C-O 3.6Å; Y70-M163 VanDerWaalsContact CA-O 3.25Å; Y70-M163 WeakPolarHBondContact CA-O 3.29Å
71Y91.8Very high83.4Confident19 Ų1935.9 Ų35.98%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-150.6147.6175.7-161.4-101000111.7S80 F86 M163 D165 I184Y71-S80 WeakPolarHBondContact CE1-O 3.49Å; Y71-S80 VanDerWaalsContact CZ-O 3.29Å; Y71-S80 PolarHBondContact OH-O 3.11Å; Y71-F86 AromaticContact CD1-CD2 3.59Å; Y71-F86 HydrophobicContact CD1-CD2 3.59Å; Y71-F86 HydrophobicContact CD1-CE2 4.29Å; Y71-F86 HydrophobicContact CD1-CG 4.48Å; Y71-F86 AromaticContact CD2-CD2 3.87Å; Y71-F86 HydrophobicContact CD2-CD2 3.87Å; Y71-F86 HydrophobicContact CE1-CB 4.02Å; Y71-F86 AromaticContact CE1-CD2 3.94Å; Y71-F86 HydrophobicContact CE1-CD2 3.94Å; Y71-F86 HydrophobicContact CE1-CG 4.42Å; Y71-F86 HydrophobicContact CE2-CB 4.22Å; Y71-F86 HydrophobicContact CE2-CD2 4.22Å; Y71-F86 AromaticContact CG-CD2 3.54Å; Y71-F86 HydrophobicContact CG-CD2 3.54Å; Y71-F86 HydrophobicContact CG-CE2 4.1Å; Y71-F86 PolarHBondContact OH-N 3.26Å; Y71-M163 PolarHBondContact N-O 3.39Å; Y71-D165 PolarHBondContact O-N 3.04Å; Y71-I184 HydrophobicContact CD1-CD1 4.44Å; Y71-I184 HydrophobicContact CE1-CD1 3.72Å
72F88.1Confident83.1Confident23 Ų2333.7 Ų33.710%0.10120%0.2CC..EExtended strand (participates in β ladder)trans-124.7122.6-179.3-69.2-81.3000110.1T44 C47 I51 W52 Y70 D165T44-F72 HydrophobicContact CG2-CD1 3.96Å; T44-F72 HydrophobicContact CG2-CE1 3.79Å; C47-F72 HydrophobicContact CB-CE1 4.2Å; I51-F72 HydrophobicContact CD1-CE1 4.42Å; I51-F72 HydrophobicContact CD1-CE2 3.54Å; I51-F72 HydrophobicContact CD1-CZ 3.36Å; W52-F72 AromaticContact CH2-CE2 3.98Å; W52-F72 HydrophobicContact CH2-CE2 3.98Å; W52-F72 HydrophobicContact CH2-CZ 4.43Å; W52-F72 HydrophobicContact CZ3-CE2 4.12Å; W52-F72 HydrophobicContact CZ3-CZ 4.09Å; Y70-F72 HydrophobicContact CD2-CD2 4.09Å; Y70-F72 AromaticContact CD2-CE2 3.77Å; Y70-F72 HydrophobicContact CD2-CE2 3.77Å; Y70-F72 HydrophobicContact CE2-CD2 4.36Å; Y70-F72 AromaticContact CE2-CE2 3.99Å; Y70-F72 HydrophobicContact CE2-CE2 3.99Å; F72-D165 HydrophobicContact CD1-CB 3.65Å; F72-D165 HydrophobicContact CE1-CB 4.1Å
73C85.1Confident83Confident14 Ų1430.8 Ų30.810%0.09518%0.183CC..  trans-93.7102.2174.7-59.60000110.1T81 D165 S166C73-T81 HydrophobicContact CB-CG2 4.39Å; C73-D165 WeakPolarHBondContact CB-O 3.48Å; C73-D165 PolarHBondContact N-O 3.29Å; C73-D165 VanDerWaalsContact N-O 3.11Å; C73-S166 WeakPolarHBondContact CB-O 3.49Å; C73-S166 VanDerWaalsContact O-CB 3.31Å; C73-S166 WeakPolarHBondContact O-CB 3.33Å
74N78.7Confident82.8Confident41 Ų4130.8 Ų30.822%0.21918%0.183CC..  trans-99.2124.3178.5-178.72.3000111.1F76 D77 S80N74-F76 PolarHBondContact O-N 2.98Å; N74-F76 WeakPolarHBondContact OD1-CD2 3.38Å; N74-F76 PolarHBondContact OD1-N 3.24Å; N74-D77 HydrophobicContact CB-CB 4.35Å; N74-D77 PolarHBondContact O-N 2.85Å; N74-D77 VanDerWaalsContact O-N 3.12Å; N74-D77 VanDerWaalsContact O-O 3.08Å; N74-S80 WeakPolarHBondContact CA-OG 3.39Å; N74-S80 WeakPolarHBondContact CB-OG 3.3Å; N74-S80 PolarHBondContact N-OG 2.99Å; N74-S80 PolarHBondContact O-OG 3.48Å
75T71.8Confident82.6Confident71 Ų7131.8 Ų31.844%0.43619%0.187SC..THydrogen-bonded Turntrans-63-21.4179.647.70000114.2
76F73.7Confident82.9Confident22 Ų2229.8 Ų29.810%0.09617%0.166CC..THydrogen-bonded Turntrans-93.9-0.2178.1-49.5-65.4000114.1N74 L377 L378 A384N74-F76 PolarHBondContact O-N 2.98Å; N74-F76 WeakPolarHBondContact OD1-CD2 3.38Å; N74-F76 PolarHBondContact OD1-N 3.24Å; F76-L377 HydrophobicContact CB-CD2 3.98Å; F76-L378 HydrophobicContact CE1-CB 4.3Å; F76-L378 HydrophobicContact CE1-CD1 4.04Å; F76-L378 HydrophobicContact CE2-CB 4.37Å; F76-L378 HydrophobicContact CZ-CB 3.98Å; F76-L378 HydrophobicContact CZ-CD1 4.36Å; F76-A384 HydrophobicContact CE1-CB 3.52Å; F76-A384 HydrophobicContact CZ-CB 3.51Å
77D76Confident83.1Confident37 Ų3726.3 Ų26.320%0.19815%0.153CC..  trans-127.3103175.8175.98.6000109.7N74 A79 S80 T81N74-D77 HydrophobicContact CB-CB 4.35Å; N74-D77 PolarHBondContact O-N 2.85Å; N74-D77 VanDerWaalsContact O-N 3.12Å; N74-D77 VanDerWaalsContact O-O 3.08Å; D77-A79 PolarHBondContact O-N 3.1Å; D77-A79 VanDerWaalsContact OD1-CB 3.3Å; D77-A79 WeakPolarHBondContact OD1-CB 3.47Å; D77-A79 PolarHBondContact OD1-N 3.02Å; D77-S80 WeakPolarHBondContact O-CB 3.42Å; D77-S80 PolarHBondContact O-N 3.16Å; D77-S80 PolarHBondContact O-OG 3.13Å; D77-S80 PolarHBondContact OD1-N 2.9Å; D77-T81 PolarHBondContact O-N 2.77Å
78A74.1Confident83.2Confident26 Ų2627 Ų2722%0.21516%0.156CC..THydrogen-bonded Turntrans-65.4-20.718000000113.3T81 R334A78-T81 PolarHBondContact O-OG1 3.12Å; A78-R334 HydrophobicContact CB-CB 3.9Å; A78-R334 HydrophobicContact CB-CG 4.2Å; A78-R334 PolarHBondContact N-O 3.05Å
79A75.6Confident83.3Confident50 Ų5026.9 Ų26.941%0.41316%0.157SC..THydrogen-bonded Turntrans-73.6-38.9171.900000110.8D77 T81 S82 Q85D77-A79 PolarHBondContact O-N 3.1Å; D77-A79 VanDerWaalsContact OD1-CB 3.3Å; D77-A79 WeakPolarHBondContact OD1-CB 3.47Å; D77-A79 PolarHBondContact OD1-N 3.02Å; A79-T81 VanDerWaalsContact C-N 3.25Å; A79-T81 PolarHBondContact O-N 2.8Å; A79-S82 WeakPolarHBondContact O-CB 3.47Å; A79-S82 PolarHBondContact O-N 3.46Å; A79-S82 VanDerWaalsContact O-N 3.09Å; A79-Q85 HydrophobicContact CB-CG 4.37Å; A79-Q85 WeakPolarHBondContact O-CB 3.37Å
80S79.5Confident83.3Confident5 Ų527 Ų274%0.03516%0.157CC..THydrogen-bonded Turntrans-64.4-27.4177.180.80000113.3Y71 N74 D77Y71-S80 WeakPolarHBondContact CE1-O 3.49Å; Y71-S80 VanDerWaalsContact CZ-O 3.29Å; Y71-S80 PolarHBondContact OH-O 3.11Å; N74-S80 WeakPolarHBondContact CA-OG 3.39Å; N74-S80 WeakPolarHBondContact CB-OG 3.3Å; N74-S80 PolarHBondContact N-OG 2.99Å; N74-S80 PolarHBondContact O-OG 3.48Å; D77-S80 WeakPolarHBondContact O-CB 3.42Å; D77-S80 PolarHBondContact O-N 3.16Å; D77-S80 PolarHBondContact O-OG 3.13Å; D77-S80 PolarHBondContact OD1-N 2.9Å
81T79Confident83.3Confident70 Ų7024.5 Ų24.543%0.42915%0.147SC..THydrogen-bonded Turntrans-90.62.3175.348.40000113.7C73 D77 A78 A79C73-T81 HydrophobicContact CB-CG2 4.39Å; D77-T81 PolarHBondContact O-N 2.77Å; A78-T81 PolarHBondContact O-OG1 3.12Å; A79-T81 VanDerWaalsContact C-N 3.25Å; A79-T81 PolarHBondContact O-N 2.8Å
82S80.2Confident83.1Confident35 Ų3527 Ų2725%0.24517%0.168CC..  trans-84.7137.7-178.1-144.20000113A79 F86 E129A79-S82 WeakPolarHBondContact O-CB 3.47Å; A79-S82 PolarHBondContact O-N 3.46Å; A79-S82 VanDerWaalsContact O-N 3.09Å; S82-F86 PolarHBondContact O-N 3.14Å; S82-F86 VanDerWaalsContact O-N 3.08Å; S82-E129 WeakPolarHBondContact CB-OE2 3.34Å; S82-E129 VanDerWaalsContact OG-CD 3.23Å; S82-E129 PolarHBondContact OG-OE1 3.46Å; S82-E129 PolarHBondContact OG-OE2 3.19Å
83A84.8Confident83.1Confident7 Ų727.5 Ų27.56%0.05817%0.171CC..Hα-helixtrans-72.9-33-174.300000113.1F86 V87 P132 L187A83-F86 WeakPolarHBondContact O-CB 3.41Å; A83-F86 PolarHBondContact O-N 3.22Å; A83-V87 WeakPolarHBondContact O-CG2 3.3Å; A83-V87 PolarHBondContact O-N 3.39Å; A83-V87 VanDerWaalsContact O-N 3.11Å; A83-P132 HydrophobicContact CB-CB 3.58Å; A83-P132 HydrophobicContact CB-CG 3.83Å; A83-L187 HydrophobicContact CB-CD2 4.26Å
84G84.2Confident83.2Confident0 Ų027.1 Ų27.10%017%0.168CC..Hα-helixtrans-69.2-44.2174.300000112.5F86 V87 L88 C128 E129G84-F86 VanDerWaalsContact C-N 3.27Å; G84-F86 PolarHBondContact O-N 2.91Å; G84-V87 PolarHBondContact O-N 3.22Å; G84-L88 WeakPolarHBondContact O-CB 3.44Å; G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.42Å; G84-L88 PolarHBondContact O-N 3.03Å; G84-C128 VanDerWaalsContact CA-O 3.25Å; G84-C128 WeakPolarHBondContact CA-O 3.5Å; G84-E129 VanDerWaalsContact CA-CD 3.4Å; G84-E129 WeakPolarHBondContact CA-OE1 3.47Å; G84-E129 VanDerWaalsContact CA-OE2 3.31Å; G84-E129 WeakPolarHBondContact CA-OE2 3.19Å; G84-E129 PolarHBondContact N-OE2 2.74Å
85Q85Confident83.6Confident56 Ų5626 Ų2626%0.26216%0.161SC..Hα-helixtrans-59.3-38.2172.5-68.4-37-7100112.2A79 L88 S89 E129A79-Q85 HydrophobicContact CB-CG 4.37Å; A79-Q85 WeakPolarHBondContact O-CB 3.37Å; Q85-L88 PolarHBondContact O-N 3.44Å; Q85-S89 WeakPolarHBondContact O-CB 3.42Å; Q85-S89 PolarHBondContact O-N 1.84Å; Q85-E129 VanDerWaalsContact CG-OE1 3.3Å; Q85-E129 WeakPolarHBondContact CG-OE1 3.42Å; Q85-E129 PolarHBondContact N-OE1 3.37Å; Q85-E129 PolarHBondContact NE2-OE1 3.15Å
86F89.4Confident84.1Confident1 Ų126 Ų260%0.00417%0.169CC..Hα-helixtrans-59.4-51.2172.9171.3-112.8000112Y71 S82 A83 G84 L88 S89 L90 F136 I164 I184 L187 W188Y71-F86 AromaticContact CD1-CD2 3.59Å; Y71-F86 HydrophobicContact CD1-CD2 3.59Å; Y71-F86 HydrophobicContact CD1-CE2 4.29Å; Y71-F86 HydrophobicContact CD1-CG 4.48Å; Y71-F86 AromaticContact CD2-CD2 3.87Å; Y71-F86 HydrophobicContact CD2-CD2 3.87Å; Y71-F86 HydrophobicContact CE1-CB 4.02Å; Y71-F86 AromaticContact CE1-CD2 3.94Å; Y71-F86 HydrophobicContact CE1-CD2 3.94Å; Y71-F86 HydrophobicContact CE1-CG 4.42Å; Y71-F86 HydrophobicContact CE2-CB 4.22Å; Y71-F86 HydrophobicContact CE2-CD2 4.22Å; Y71-F86 AromaticContact CG-CD2 3.54Å; Y71-F86 HydrophobicContact CG-CD2 3.54Å; Y71-F86 HydrophobicContact CG-CE2 4.1Å; Y71-F86 PolarHBondContact OH-N 3.26Å; S82-F86 PolarHBondContact O-N 3.14Å; S82-F86 VanDerWaalsContact O-N 3.08Å; A83-F86 WeakPolarHBondContact O-CB 3.41Å; A83-F86 PolarHBondContact O-N 3.22Å; G84-F86 VanDerWaalsContact C-N 3.27Å; G84-F86 PolarHBondContact O-N 2.91Å; F86-L88 PolarHBondContact O-N 2.86Å; F86-S89 PolarHBondContact O-N 2.77Å; F86-L90 HydrophobicContact CE1-CD2 4.45Å; F86-L90 HydrophobicContact CZ-CD2 4.07Å; F86-L90 VanDerWaalsContact O-CB 3.24Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 3.48Å; F86-F136 HydrophobicContact CE1-CD2 4.22Å; F86-F136 AromaticContact CE1-CE2 3.86Å; F86-F136 HydrophobicContact CE1-CE2 3.86Å; F86-F136 HydrophobicContact CZ-CE2 4.5Å; F86-I164 HydrophobicContact CE2-CD1 3.96Å; F86-I164 HydrophobicContact CE2-CG1 4.24Å; F86-I164 HydrophobicContact CZ-CD1 3.71Å; F86-I164 HydrophobicContact CZ-CG1 4.46Å; F86-I184 HydrophobicContact CB-CD1 3.91Å; F86-I184 HydrophobicContact CB-CG1 4Å; F86-I184 HydrophobicContact CD1-CG1 4.44Å; F86-I184 HydrophobicContact CD1-CG2 3.86Å; F86-I184 HydrophobicContact CD2-CG2 4.1Å; F86-I184 HydrophobicContact CE1-CG2 3.98Å; F86-I184 HydrophobicContact CE2-CG2 4.23Å; F86-I184 HydrophobicContact CG-CD1 4.33Å; F86-I184 HydrophobicContact CG-CG1 4.23Å; F86-I184 HydrophobicContact CG-CG2 3.91Å; F86-I184 HydrophobicContact CZ-CG2 4.16Å; F86-L187 HydrophobicContact CD1-CD2 4.07Å; F86-L187 HydrophobicContact CE1-CD2 4.46Å; F86-W188 AromaticContact CE1-CE3 3.91Å; F86-W188 HydrophobicContact CE1-CE3 3.91Å; F86-W188 HydrophobicContact CE1-CZ3 4.37Å; F86-W188 AromaticContact CZ-CE3 3.56Å; F86-W188 HydrophobicContact CZ-CE3 3.56Å; F86-W188 AromaticContact CZ-CZ3 3.81Å; F86-W188 HydrophobicContact CZ-CZ3 3.81Å
87V90.7Very high84.1Confident0 Ų025.6 Ų25.60%017%0.17CC..Hα-helixtrans-56.8-52.2175.8175.10000111.1A83 G84 S89 L90 T91 A135 F136 L139 V140 L187A83-V87 WeakPolarHBondContact O-CG2 3.3Å; A83-V87 PolarHBondContact O-N 3.39Å; A83-V87 VanDerWaalsContact O-N 3.11Å; G84-V87 PolarHBondContact O-N 3.22Å; V87-S89 PolarHBondContact O-N 2.89Å; V87-L90 PolarHBondContact O-N 3.45Å; V87-T91 WeakPolarHBondContact O-CB 3.15Å; V87-T91 PolarHBondContact O-N 3Å; V87-T91 PolarHBondContact O-OG1 2.99Å; V87-A135 HydrophobicContact CB-CB 4.48Å; V87-A135 HydrophobicContact CG1-CB 3.91Å; V87-A135 HydrophobicContact CG2-CB 4.42Å; V87-F136 HydrophobicContact CG2-CB 3.85Å; V87-F136 HydrophobicContact CG2-CD2 3.99Å; V87-F136 HydrophobicContact CG2-CG 4.42Å; V87-L139 HydrophobicContact CG1-CB 4.26Å; V87-L139 HydrophobicContact CG1-CD1 3.99Å; V87-V140 HydrophobicContact CG1-CG2 4.37Å; V87-L187 HydrophobicContact CG2-CD2 3.86Å
88L90.4Very high83.5Confident21 Ų2126.6 Ų26.611%0.1117%0.173CC..Hα-helixtrans-61-42.5-177.8-69.4163.9000112.4G84 Q85 F86 S92 P125 C128G84-L88 WeakPolarHBondContact O-CB 3.44Å; G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.42Å; G84-L88 PolarHBondContact O-N 3.03Å; Q85-L88 PolarHBondContact O-N 3.44Å; F86-L88 PolarHBondContact O-N 2.86Å; L88-S92 WeakPolarHBondContact O-CB 3.44Å; L88-S92 PolarHBondContact O-N 3.2Å; L88-P125 HydrophobicContact CD1-CB 3.73Å; L88-P125 HydrophobicContact CD1-CG 4.18Å; L88-C128 HydrophobicContact CD1-CB 3.95Å; L88-C128 HydrophobicContact CD2-CB 4.12Å; L88-C128 HydrophobicContact CG-CB 3.88Å
89S89.4Confident82.6Confident12 Ų1226.8 Ų26.88%0.08418%0.177CC..Hα-helixtrans-65.9-43.8178.2-169.90000111.5Q85 F86 V87 S92 Q93Q85-S89 WeakPolarHBondContact O-CB 3.42Å; Q85-S89 PolarHBondContact O-N 1.84Å; F86-S89 PolarHBondContact O-N 2.77Å; V87-S89 PolarHBondContact O-N 2.89Å; S89-S92 PolarHBondContact O-N 3.15Å; S89-Q93 VanDerWaalsContact O-CG 3.29Å; S89-Q93 WeakPolarHBondContact O-CG 3.4Å; S89-Q93 PolarHBondContact O-N 3.12Å; S89-Q93 PolarHBondContact O-NE2 3.17Å; S89-Q93 PolarHBondContact OG-NE2 3.45Å
90L90.6Very high81.3Confident4 Ų431 Ų312%0.02120%0.2CC..Hα-helixtrans-64-50.8177.2176.556.1000111.5A69 F86 V87 S92 Q93 L94 F136 V140 V162 W188A69-L90 HydrophobicContact CB-CD1 3.43Å; A69-L90 VanDerWaalsContact CB-CD1 3.43Å; F86-L90 HydrophobicContact CE1-CD2 4.45Å; F86-L90 HydrophobicContact CZ-CD2 4.07Å; F86-L90 VanDerWaalsContact O-CB 3.24Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 3.48Å; V87-L90 PolarHBondContact O-N 3.45Å; L90-S92 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 2.75Å; L90-Q93 PolarHBondContact O-N 3.34Å; L90-Q93 VanDerWaalsContact O-N 3.15Å; L90-L94 HydrophobicContact CD1-CD1 3.85Å; L90-L94 HydrophobicContact CD1-CG 4.08Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.03Å; L90-F136 HydrophobicContact CD2-CE2 3.93Å; L90-V140 HydrophobicContact CD2-CG1 3.74Å; L90-V140 HydrophobicContact CD2-CG2 3.97Å; L90-V140 HydrophobicContact CG-CG1 4.33Å; L90-V140 HydrophobicContact CG-CG2 4.16Å; L90-V162 HydrophobicContact CD1-CG1 4.18Å; L90-V162 HydrophobicContact CD1-CG2 4.15Å; L90-W188 HydrophobicContact CD2-CH2 4.39Å; L90-W188 HydrophobicContact CD2-CZ3 3.66Å
91T90.8Very high79.9Confident0 Ų042.2 Ų42.20%024%0.242CC..Hα-helixtrans-59.8-42.1176.2-59.50000111.7V87 Q93 L94 L95 V112 L122 L139 V140V87-T91 WeakPolarHBondContact O-CB 3.15Å; V87-T91 PolarHBondContact O-N 3Å; V87-T91 PolarHBondContact O-OG1 2.99Å; T91-Q93 VanDerWaalsContact C-N 3.3Å; T91-Q93 PolarHBondContact O-N 3.4Å; T91-L94 PolarHBondContact O-N 3.07Å; T91-L95 HydrophobicContact CG2-CD1 4.14Å; T91-L95 HydrophobicContact CG2-CG 4.42Å; T91-L95 WeakPolarHBondContact O-CB 3.28Å; T91-L95 VanDerWaalsContact O-CG 3.29Å; T91-L95 WeakPolarHBondContact O-CG 3.43Å; T91-L95 PolarHBondContact O-N 3.22Å; T91-V112 HydrophobicContact CG2-CG1 4.16Å; T91-L122 HydrophobicContact CG2-CD1 3.62Å; T91-L139 HydrophobicContact CG2-CB 3.97Å; T91-L139 HydrophobicContact CG2-CD1 4.48Å; T91-L139 VanDerWaalsContact OG1-CB 3.29Å; T91-L139 WeakPolarHBondContact OG1-CB 3.45Å; T91-V140 WeakPolarHBondContact OG1-CG2 3.29Å
92S88.5Confident78.8Confident73 Ų7343.1 Ų43.151%0.5124%0.238SC..Hα-helixtrans-63.5-33.7176.6-175.40000112.9L88 S89 L90 A96L88-S92 WeakPolarHBondContact O-CB 3.44Å; L88-S92 PolarHBondContact O-N 3.2Å; S89-S92 PolarHBondContact O-N 3.15Å; L90-S92 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 2.75Å; S92-A96 WeakPolarHBondContact O-CB 3.18Å; S92-A96 PolarHBondContact O-N 2.97Å
93Q88.7Confident77.3Confident33 Ų3345 Ų4515%0.15426%0.255CS..Hα-helixtrans-75.4-44.1176.2-74173.970.400111.6A69 Y70 S89 L90 T91 L95 A96 A97A69-Q93 VanDerWaalsContact CA-OE1 3.31Å; A69-Q93 HydrophobicContact CB-CB 3.66Å; A69-Q93 HydrophobicContact CB-CG 4.45Å; Y70-Q93 VanDerWaalsContact CD1-OE1 3.26Å; Y70-Q93 PolarHBondContact O-NE2 3.39Å; Y70-Q93 PolarHBondContact O-OE1 3.25Å; S89-Q93 VanDerWaalsContact O-CG 3.29Å; S89-Q93 WeakPolarHBondContact O-CG 3.4Å; S89-Q93 PolarHBondContact O-N 3.12Å; S89-Q93 PolarHBondContact O-NE2 3.17Å; S89-Q93 PolarHBondContact OG-NE2 3.45Å; L90-Q93 PolarHBondContact O-N 3.34Å; L90-Q93 VanDerWaalsContact O-N 3.15Å; T91-Q93 VanDerWaalsContact C-N 3.3Å; T91-Q93 PolarHBondContact O-N 3.4Å; Q93-L95 VanDerWaalsContact C-N 3.32Å; Q93-L95 PolarHBondContact O-N 2.91Å; Q93-A96 CarbonylContact O-C 3.58Å; Q93-A96 WeakPolarHBondContact O-CA 3.4Å; Q93-A96 WeakPolarHBondContact O-CB 3.45Å; Q93-A96 PolarHBondContact O-N 2.92Å; Q93-A97 PolarHBondContact O-N 3.5Å
94L87Confident76Confident6 Ų646 Ų463%0.03126%0.261CS..Hα-helixtrans-62.9-37.1175.7-66.3169.3000112L68 L90 T91 A96 A97 Y108 V140 L144L68-L94 HydrophobicContact CB-CD2 4.01Å; L90-L94 HydrophobicContact CD1-CD1 3.85Å; L90-L94 HydrophobicContact CD1-CG 4.08Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.03Å; T91-L94 PolarHBondContact O-N 3.07Å; L94-A96 VanDerWaalsContact C-N 3.27Å; L94-A96 PolarHBondContact O-N 3.06Å; L94-A97 PolarHBondContact O-N 3.24Å; L94-Y108 HydrophobicContact CB-CD1 3.86Å; L94-Y108 HydrophobicContact CB-CE1 3.25Å; L94-Y108 HydrophobicContact CB-CE2 4.23Å; L94-Y108 VanDerWaalsContact CB-CZ 3.47Å; L94-Y108 HydrophobicContact CD1-CE1 4.46Å; L94-Y108 HydrophobicContact CD1-CE2 4.06Å; L94-Y108 HydrophobicContact CG-CE1 4.47Å; L94-V140 HydrophobicContact CD1-CG1 4.41Å; L94-L144 HydrophobicContact CD1-CD1 3.98Å; L94-L144 HydrophobicContact CD1-CD2 4.34Å; L94-L144 HydrophobicContact CD1-CG 4.41Å; L94-L144 HydrophobicContact CD2-CD2 4.43Å
95L86.4Confident75.2Confident16 Ų1646.6 Ų46.68%0.08426%0.264CS..Hα-helixtrans-64.1-29.8171-78.2175.6000112.9T91 Q93 Y108 R109 V112 M113 L122T91-L95 HydrophobicContact CG2-CD1 4.14Å; T91-L95 HydrophobicContact CG2-CG 4.42Å; T91-L95 WeakPolarHBondContact O-CB 3.28Å; T91-L95 VanDerWaalsContact O-CG 3.29Å; T91-L95 WeakPolarHBondContact O-CG 3.43Å; T91-L95 PolarHBondContact O-N 3.22Å; Q93-L95 VanDerWaalsContact C-N 3.32Å; Q93-L95 PolarHBondContact O-N 2.91Å; L95-Y108 HydrophobicContact CD2-CD1 4.34Å; L95-Y108 HydrophobicContact CD2-CE1 4.11Å; L95-Y108 HydrophobicContact CG-CE1 4.04Å; L95-R109 HydrophobicContact CD2-CB 4.15Å; L95-R109 HydrophobicContact CD2-CG 4.18Å; L95-R109 PolarHBondContact O-NE 2.85Å; L95-R109 PolarHBondContact O-NH2 3.09Å; L95-V112 HydrophobicContact CD1-CG1 4.17Å; L95-V112 HydrophobicContact CD2-CB 4.01Å; L95-V112 HydrophobicContact CD2-CG1 4.03Å; L95-V112 HydrophobicContact CG-CG1 4.38Å; L95-M113 HydrophobicContact CD1-SD 4.34Å; L95-M113 HydrophobicContact CD2-CG 4.11Å; L95-M113 HydrophobicContact CD2-SD 4.36Å; L95-L122 HydrophobicContact CD1-CD1 4.14Å; L95-L122 HydrophobicContact CD1-CD2 3.7Å
96A81.7Confident74.4Confident72 Ų7246.7 Ų46.760%0.59527%0.271SS*.Hα-helixtrans-86.8-17.7177.800000113.5S92 Q93 L94 E98S92-A96 WeakPolarHBondContact O-CB 3.18Å; S92-A96 PolarHBondContact O-N 2.97Å; Q93-A96 CarbonylContact O-C 3.58Å; Q93-A96 WeakPolarHBondContact O-CA 3.4Å; Q93-A96 WeakPolarHBondContact O-CB 3.45Å; Q93-A96 PolarHBondContact O-N 2.92Å; L94-A96 VanDerWaalsContact C-N 3.27Å; L94-A96 PolarHBondContact O-N 3.06Å; A96-E98 VanDerWaalsContact C-N 3.32Å
97A73.9Confident73.9Confident14 Ų1447.5 Ų47.512%0.11628%0.28CS..Hα-helixtrans-67.8-30.2176.800000112.6L68 Q93 L94 G99L68-A97 HydrophobicContact CD2-CB 4.31Å; Q93-A97 PolarHBondContact O-N 3.5Å; L94-A97 PolarHBondContact O-N 3.24Å; A97-G99 VanDerWaalsContact C-N 3.35Å; A97-G99 PolarHBondContact O-N 3.48Å
98E62.9Low73.6Confident57 Ų5747.7 Ų47.727%0.26628%0.28SS..  trans-69.688.4169.5-79.5-167.1-150.700111.3A96 V105 G107 Y108 R109A96-E98 VanDerWaalsContact C-N 3.32Å; E98-V105 WeakPolarHBondContact CG-O 3.42Å; E98-G107 PolarHBondContact OE1-N 3.38Å; E98-Y108 WeakPolarHBondContact OE1-CA 3.47Å; E98-Y108 PolarHBondContact OE1-N 2.25Å; E98-R109 VanDerWaalsContact CD-CB 3.47Å; E98-R109 HydrophobicContact CG-CB 4.43Å; E98-R109 PolarHBondContact OE1-N 2.93Å; E98-R109 WeakPolarHBondContact OE2-CB 3.38Å
99G56.9Low73.4Confident30 Ų3052 Ų5231%0.30930%0.295SS..SBendtrans-155.9165.6174.300000112.5A97 R101 R102A97-G99 VanDerWaalsContact C-N 3.35Å; A97-G99 PolarHBondContact O-N 3.48Å; G99-R101 PolarHBondContact O-N 3.44Å; G99-R102 PolarHBondContact O-N 3.27Å
100P48Very low73.1Confident138 Ų13858.7 Ų58.790%0.89633%0.325SS*.THydrogen-bonded Turntrans-67.24.9-168.127.3-36.6000115.8
101R49.8Very low72.8Confident242 Ų24261.9 Ų61.991%0.91334%0.339SS*.THydrogen-bonded Turntrans-110-4.8174.2-65.8-174176.9-170.5-1.3114G99G99-R101 PolarHBondContact O-N 3.44Å
102R55Low72.5Confident89 Ų8961.9 Ų61.934%0.33634%0.339SS..  trans-146.148.2-176.4-65.5-174.1175.6-158-8.9111.6N64 L67 G99 T104N64-R102 PolarHBondContact O-NH2 3.14Å; N64-R102 PolarHBondContact OD1-NH2 2.98Å; L67-R102 PolarHBondContact O-NH1 3.44Å; G99-R102 PolarHBondContact O-N 3.27Å; R102-T104 PolarHBondContact O-N 2.75Å
103A49.8Very low72.4Confident73 Ų7362 Ų6260%0.60333%0.332SS*.THydrogen-bonded Turntrans-7215.2-166.300000116.7
104T57.9Low72.1Confident30 Ų3062.6 Ų62.618%0.18435%0.347CS..THydrogen-bonded Turntrans-90.1-20.2-168.746.40000115R102 V149 L150 F160R102-T104 PolarHBondContact O-N 2.75Å; T104-V149 WeakPolarHBondContact O-CA 3.29Å; T104-L150 PolarHBondContact O-N 3.19Å; T104-F160 HydrophobicContact CG2-CZ 4.03Å; T104-F160 WeakPolarHBondContact OG1-CZ 3.39Å
105V65.7Low72Confident11 Ų1166.7 Ų66.77%0.06737%0.366CS..BIsolated β-bridgetrans-115.7101.3179.1-179.20000107.9L68 E98 V147 V149 F160 W198L68-V105 HydrophobicContact CD1-CG2 4.29Å; L68-V105 HydrophobicContact CD2-CG2 3.94Å; E98-V105 WeakPolarHBondContact CG-O 3.42Å; V105-V147 HydrophobicContact CG1-CG1 3.74Å; V105-V149 HydrophobicContact CG2-CG2 4.44Å; V105-F160 HydrophobicContact CG2-CD2 4.03Å; V105-F160 HydrophobicContact CG2-CE2 4.18Å; V105-F160 HydrophobicContact CG2-CG 4.49Å; V105-W198 HydrophobicContact CG1-CH2 4.29Å
106S69.1Low71.9Confident59 Ų5971 Ų7141%0.41339%0.386SS..  trans-118.2140.6-170.7590000113.4
107G78.4Confident72.2Confident18 Ų1872 Ų7219%0.18638%0.379CS..SBendtrans91.51.7175.800000115.4E98 Q110 K111E98-G107 PolarHBondContact OE1-N 3.38Å; G107-Q110 PolarHBondContact O-N 3.16Å; G107-K111 WeakPolarHBondContact O-CG 3.3Å; G107-K111 PolarHBondContact O-N 3.36Å; G107-K111 VanDerWaalsContact O-N 3.16Å
108Y85.6Confident72.9Confident3 Ų372.1 Ų72.11%0.01238%0.376CS..Hα-helixtrans-64.9-47.6170.3175.1-95.5000110.7L94 L95 E98 Q110 K111 V112 L139 P143 L144L94-Y108 HydrophobicContact CB-CD1 3.86Å; L94-Y108 HydrophobicContact CB-CE1 3.25Å; L94-Y108 HydrophobicContact CB-CE2 4.23Å; L94-Y108 VanDerWaalsContact CB-CZ 3.47Å; L94-Y108 HydrophobicContact CD1-CE1 4.46Å; L94-Y108 HydrophobicContact CD1-CE2 4.06Å; L94-Y108 HydrophobicContact CG-CE1 4.47Å; L95-Y108 HydrophobicContact CD2-CD1 4.34Å; L95-Y108 HydrophobicContact CD2-CE1 4.11Å; L95-Y108 HydrophobicContact CG-CE1 4.04Å; E98-Y108 WeakPolarHBondContact OE1-CA 3.47Å; E98-Y108 PolarHBondContact OE1-N 2.25Å; Y108-Q110 VanDerWaalsContact C-N 3.31Å; Y108-Q110 PolarHBondContact O-N 3.07Å; Y108-K111 PolarHBondContact O-N 3Å; Y108-K111 VanDerWaalsContact O-N 3.1Å; Y108-V112 HydrophobicContact CD1-CG2 4.37Å; Y108-V112 HydrophobicContact CD2-CG2 4.4Å; Y108-V112 HydrophobicContact CE1-CG2 3.88Å; Y108-V112 HydrophobicContact CE2-CG2 3.93Å; Y108-V112 PolarHBondContact O-N 3.39Å; Y108-L139 PolarHBondContact OH-O 3.29Å; Y108-P143 HydrophobicContact CD2-CB 3.66Å; Y108-P143 HydrophobicContact CE2-CB 3.61Å; Y108-P143 HydrophobicContact CE2-CG 4.41Å; Y108-L144 HydrophobicContact CD2-CD2 3.72Å; Y108-L144 HydrophobicContact CD2-CG 4.07Å; Y108-L144 HydrophobicContact CE2-CD2 3.97Å; Y108-L144 HydrophobicContact CE2-CG 3.94Å
109R85.5Confident74Confident112 Ų11273.3 Ų73.342%0.42338%0.378SS..Hα-helixtrans-60.4-40.6175.1178.8178.1-85.3-96.6-0.7111.5L95 E98 K111 V112 M113L95-R109 HydrophobicContact CD2-CB 4.15Å; L95-R109 HydrophobicContact CD2-CG 4.18Å; L95-R109 PolarHBondContact O-NE 2.85Å; L95-R109 PolarHBondContact O-NH2 3.09Å; E98-R109 VanDerWaalsContact CD-CB 3.47Å; E98-R109 HydrophobicContact CG-CB 4.43Å; E98-R109 PolarHBondContact OE1-N 2.93Å; E98-R109 WeakPolarHBondContact OE2-CB 3.38Å; R109-K111 VanDerWaalsContact C-N 3.26Å; R109-K111 PolarHBondContact O-N 3.38Å; R109-V112 PolarHBondContact O-N 3.22Å; R109-M113 HydrophobicContact CG-CG 3.99Å; R109-M113 WeakPolarHBondContact O-CB 3.21Å; R109-M113 WeakPolarHBondContact O-CG 3.34Å; R109-M113 PolarHBondContact O-N 3.17Å
110Q83.6Confident75.4Confident152 Ų15275.3 Ų75.371%0.7138%0.381SS*.Hα-helixtrans-61.9-35.3176.8-168.7-179.78.100111.6G107 Y108 G114G107-Q110 PolarHBondContact O-N 3.16Å; Y108-Q110 VanDerWaalsContact C-N 3.31Å; Y108-Q110 PolarHBondContact O-N 3.07Å; Q110-G114 WeakPolarHBondContact O-CA 3.5Å; Q110-G114 PolarHBondContact O-N 3.19Å
111K84Confident77.2Confident71 Ų7169.4 Ų69.431%0.30934%0.341SS..Hα-helixtrans-80-38.5179.5-70.2174.3-172.6-166.50113.4G107 Y108 R109 R118 P143 N146G107-K111 WeakPolarHBondContact O-CG 3.3Å; G107-K111 PolarHBondContact O-N 3.36Å; G107-K111 VanDerWaalsContact O-N 3.16Å; Y108-K111 PolarHBondContact O-N 3Å; Y108-K111 VanDerWaalsContact O-N 3.1Å; R109-K111 VanDerWaalsContact C-N 3.26Å; R109-K111 PolarHBondContact O-N 3.38Å; K111-R118 WeakPolarHBondContact O-CD 3.38Å; K111-R118 PolarHBondContact O-NH1 3.38Å; K111-P143 HydrophobicContact CB-CB 4.18Å; K111-N146 HydrophobicContact CD-CB 4.41Å; K111-N146 VanDerWaalsContact NZ-CB 3.29Å; K111-N146 PolarHBondContact NZ-O 3.27Å
112V84.8Confident78.9Confident0 Ų060.1 Ų60.10%031%0.309CS..Hα-helixtrans-76.3-39.1177.3176.10000112.2T91 L95 Y108 R109 R118 L139 P143T91-V112 HydrophobicContact CG2-CG1 4.16Å; L95-V112 HydrophobicContact CD1-CG1 4.17Å; L95-V112 HydrophobicContact CD2-CB 4.01Å; L95-V112 HydrophobicContact CD2-CG1 4.03Å; L95-V112 HydrophobicContact CG-CG1 4.38Å; Y108-V112 HydrophobicContact CD1-CG2 4.37Å; Y108-V112 HydrophobicContact CD2-CG2 4.4Å; Y108-V112 HydrophobicContact CE1-CG2 3.88Å; Y108-V112 HydrophobicContact CE2-CG2 3.93Å; Y108-V112 PolarHBondContact O-N 3.39Å; R109-V112 PolarHBondContact O-N 3.22Å; V112-R118 VanDerWaalsContact O-CB 3.25Å; V112-R118 WeakPolarHBondContact O-CB 3.37Å; V112-L139 HydrophobicContact CG1-CD2 4.37Å; V112-P143 HydrophobicContact CG2-CB 3.78Å; V112-P143 HydrophobicContact CG2-CG 3.72Å
113M86Confident80.3Confident75 Ų7563.1 Ų63.137%0.36933%0.327SS..Hα-helixtrans-90.1-20.6179.6-57.1-59.2-63.700113.2L95 R109 R119 L122L95-M113 HydrophobicContact CD1-SD 4.34Å; L95-M113 HydrophobicContact CD2-CG 4.11Å; L95-M113 HydrophobicContact CD2-SD 4.36Å; R109-M113 HydrophobicContact CG-CG 3.99Å; R109-M113 WeakPolarHBondContact O-CB 3.21Å; R109-M113 WeakPolarHBondContact O-CG 3.34Å; R109-M113 PolarHBondContact O-N 3.17Å; M113-R119 HydrophobicContact CE-CG 4.38Å; M113-R119 PolarHBondContact O-NE 3.08Å; M113-R119 PolarHBondContact O-NH2 3.3Å; M113-L122 HydrophobicContact SD-CD2 4.2Å
114G81.5Confident81.7Confident46 Ų4662.8 Ų62.847%0.47432%0.315SS..Hα-helixtrans-64.1-48.7177.800000112.1Q110 R119Q110-G114 WeakPolarHBondContact O-CA 3.5Å; Q110-G114 PolarHBondContact O-N 3.19Å; G114-R119 PolarHBondContact O-NH2 2.86Å
115E85.2Confident82.7Confident92 Ų9264.3 Ų64.343%0.4333%0.326SS..SBendtrans-82.1131.6-177.4-72.6164.9-142.800112.6E117 R118 R119E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 2.98Å; E115-R118 HydrophobicContact CB-CB 4.43Å; E115-R118 HydrophobicContact CB-CG 4.33Å; E115-R118 VanDerWaalsContact CD-CZ 3.5Å; E115-R118 PolarHBondContact O-N 3.47Å; E115-R118 IonicContact OE1-CZ 3.13Å; E115-R118 IonicContact OE1-NH1 2.72Å; E115-R118 PolarHBondContact OE1-NH1 3.11Å; E115-R118 IonicContact OE1-NH2 3.34Å; E115-R118 IonicContact OE2-CZ 3.21Å; E115-R118 IonicContact OE2-NE 2.68Å; E115-R118 PolarHBondContact OE2-NE 3.11Å; E115-R118 IonicContact OE2-NH1 3.23Å; E115-R118 PolarHBondContact OE2-NH1 3.19Å; E115-R118 IonicContact OE2-NH2 3.43Å; E115-R118 PolarHBondContact OE2-NH2 3.32Å; E115-R119 PolarHBondContact O-N 3.02Å
116Q85Confident83.1Confident108 Ų10867.6 Ų67.651%0.50535%0.345SS..Hα-helixtrans-66.8-31.7-180177.662.27.100112.4R119 I120Q116-R119 PolarHBondContact O-N 3.03Å; Q116-I120 HydrophobicContact CG-CD1 4.14Å; Q116-I120 WeakPolarHBondContact O-CG1 3.38Å; Q116-I120 PolarHBondContact O-N 3.2Å; Q116-I120 VanDerWaalsContact O-N 3.14Å
117E87Confident83.5Confident92 Ų9267.8 Ų67.843%0.4334%0.339SS..Hα-helixtrans-64.4-50.8176172.2155.8-151.400111.5E115 R119 I120 W121 K127 L138E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 2.98Å; E117-R119 PolarHBondContact O-N 3.25Å; E117-I120 WeakPolarHBondContact O-CA 3.21Å; E117-I120 WeakPolarHBondContact O-CB 3.37Å; E117-I120 PolarHBondContact O-N 3.32Å; E117-W121 VanDerWaalsContact CG-CD1 3.49Å; E117-W121 VanDerWaalsContact O-CD1 3.27Å; E117-W121 PolarHBondContact O-N 2.93Å; E117-W121 PolarHBondContact OE1-NE1 2.78Å; E117-K127 IonicContact OE1-NZ 3.21Å; E117-L138 HydrophobicContact CG-CD1 4.32Å
118R88.8Confident83.5Confident16 Ų1666.9 Ų66.96%0.0633%0.33CS..Hα-helixtrans-56.7-37.3178.6-69.9-176.7179.3128.614.2111.9K111 V112 E115 W121 L122 L138 L139 E142K111-R118 WeakPolarHBondContact O-CD 3.38Å; K111-R118 PolarHBondContact O-NH1 3.38Å; V112-R118 VanDerWaalsContact O-CB 3.25Å; V112-R118 WeakPolarHBondContact O-CB 3.37Å; E115-R118 HydrophobicContact CB-CB 4.43Å; E115-R118 HydrophobicContact CB-CG 4.33Å; E115-R118 VanDerWaalsContact CD-CZ 3.5Å; E115-R118 PolarHBondContact O-N 3.47Å; E115-R118 IonicContact OE1-CZ 3.13Å; E115-R118 IonicContact OE1-NH1 2.72Å; E115-R118 PolarHBondContact OE1-NH1 3.11Å; E115-R118 IonicContact OE1-NH2 3.34Å; E115-R118 IonicContact OE2-CZ 3.21Å; E115-R118 IonicContact OE2-NE 2.68Å; E115-R118 PolarHBondContact OE2-NE 3.11Å; E115-R118 IonicContact OE2-NH1 3.23Å; E115-R118 PolarHBondContact OE2-NH1 3.19Å; E115-R118 IonicContact OE2-NH2 3.43Å; E115-R118 PolarHBondContact OE2-NH2 3.32Å; R118-W121 PolarHBondContact O-N 3.21Å; R118-L122 WeakPolarHBondContact O-CB 3.42Å; R118-L122 PolarHBondContact O-N 3.28Å; R118-L138 WeakPolarHBondContact CD-O 3.39Å; R118-L138 HydrophobicContact CG-CB 4.44Å; R118-L138 PolarHBondContact NE-O 2.94Å; R118-L139 HydrophobicContact CB-CD2 3.92Å; R118-L139 HydrophobicContact CG-CD2 4.27Å; R118-L139 WeakPolarHBondContact O-CD2 3.3Å; R118-E142 IonicContact NH2-OE2 2.69Å; R118-E142 PolarHBondContact NH2-OE2 3.47Å
119R86.7Confident83Confident82 Ų8269.5 Ų69.531%0.30934%0.342SS..Hα-helixtrans-59.9-43.8170.4-72.1-180-112.3163-16.9113.2M113 G114 E115 Q116 E117 L122 Q123M113-R119 HydrophobicContact CE-CG 4.38Å; M113-R119 PolarHBondContact O-NE 3.08Å; M113-R119 PolarHBondContact O-NH2 3.3Å; G114-R119 PolarHBondContact O-NH2 2.86Å; E115-R119 PolarHBondContact O-N 3.02Å; Q116-R119 PolarHBondContact O-N 3.03Å; E117-R119 PolarHBondContact O-N 3.25Å; R119-L122 PolarHBondContact O-N 3.16Å; R119-Q123 WeakPolarHBondContact O-CB 3.44Å; R119-Q123 VanDerWaalsContact O-CG 3.29Å; R119-Q123 WeakPolarHBondContact O-CG 3.35Å; R119-Q123 PolarHBondContact O-N 2.79Å
120I86.1Confident82.2Confident73 Ų7364.8 Ų64.837%0.37433%0.327SS..Hα-helixtrans-65.4-39.2179-68.3162.9000111.5Q116 E117 N124Q116-I120 HydrophobicContact CG-CD1 4.14Å; Q116-I120 WeakPolarHBondContact O-CG1 3.38Å; Q116-I120 PolarHBondContact O-N 3.2Å; Q116-I120 VanDerWaalsContact O-N 3.14Å; E117-I120 WeakPolarHBondContact O-CA 3.21Å; E117-I120 WeakPolarHBondContact O-CB 3.37Å; E117-I120 PolarHBondContact O-N 3.32Å; I120-N124 WeakPolarHBondContact O-CB 3.48Å; I120-N124 PolarHBondContact O-N 3.42Å
121W86.7Confident82Confident13 Ų1358.4 Ų58.45%0.04930%0.298CS..Hα-helixtrans-63.7-49.8173-74.493000111.3E117 R118 Q123 N124 K127 C128 D131 E134 A135 L138 L139E117-W121 VanDerWaalsContact CG-CD1 3.49Å; E117-W121 VanDerWaalsContact O-CD1 3.27Å; E117-W121 PolarHBondContact O-N 2.93Å; E117-W121 PolarHBondContact OE1-NE1 2.78Å; R118-W121 PolarHBondContact O-N 3.21Å; W121-Q123 PolarHBondContact O-N 3.07Å; W121-N124 PolarHBondContact O-N 3.18Å; W121-K127 HydrophobicContact CD2-CD 3.69Å; W121-K127 HydrophobicContact CD2-CG 4.23Å; W121-K127 HydrophobicContact CE3-CB 4.31Å; W121-K127 HydrophobicContact CE3-CD 3.79Å; W121-K127 HydrophobicContact CE3-CG 3.78Å; W121-K127 HydrophobicContact CG-CD 4.21Å; W121-K127 HydrophobicContact CH2-CD 4.29Å; W121-K127 HydrophobicContact CH2-CG 4.17Å; W121-K127 HydrophobicContact CZ2-CD 4.19Å; W121-K127 HydrophobicContact CZ3-CD 4.12Å; W121-K127 HydrophobicContact CZ3-CG 3.78Å; W121-K127 WeakPolarHBondContact CZ3-O 3.47Å; W121-C128 PolarHBondContact O-SG 3.37Å; W121-C128 VanDerWaalsContact O-SG 3.38Å; W121-D131 HydrophobicContact CH2-CB 4.17Å; W121-D131 HydrophobicContact CZ3-CB 4.43Å; W121-E134 HydrophobicContact CH2-CB 3.74Å; W121-E134 HydrophobicContact CH2-CG 3.45Å; W121-E134 VanDerWaalsContact CH2-CG 3.45Å; W121-E134 HydrophobicContact CZ2-CB 4.17Å; W121-E134 HydrophobicContact CZ2-CG 3.34Å; W121-E134 HydrophobicContact CZ3-CB 4.47Å; W121-E134 HydrophobicContact CZ3-CG 4.45Å; W121-A135 HydrophobicContact CE3-CB 3.81Å; W121-A135 HydrophobicContact CZ3-CB 3.88Å; W121-L138 HydrophobicContact CD2-CD1 4.47Å; W121-L138 HydrophobicContact CZ2-CD1 4.09Å; W121-L139 HydrophobicContact CB-CD1 4.07Å; W121-L139 HydrophobicContact CB-CD2 4.17Å; W121-L139 HydrophobicContact CB-CG 4.31Å
122L85.5Confident82Confident47 Ų4755.6 Ų55.625%0.24629%0.287CS..Hα-helixtrans-57.2-34.4178.7-169.974.7000113.2T91 L95 M113 R118 R119T91-L122 HydrophobicContact CG2-CD1 3.62Å; L95-L122 HydrophobicContact CD1-CD1 4.14Å; L95-L122 HydrophobicContact CD1-CD2 3.7Å; M113-L122 HydrophobicContact SD-CD2 4.2Å; R118-L122 WeakPolarHBondContact O-CB 3.42Å; R118-L122 PolarHBondContact O-N 3.28Å; R119-L122 PolarHBondContact O-N 3.16Å
123Q83.6Confident82.1Confident152 Ų15256.2 Ų56.271%0.7129%0.291SS*.THydrogen-bonded Turntrans-83-9.5179.9-72.8175.7-12.200114.3R119 W121 P125R119-Q123 WeakPolarHBondContact O-CB 3.44Å; R119-Q123 VanDerWaalsContact O-CG 3.29Å; R119-Q123 WeakPolarHBondContact O-CG 3.35Å; R119-Q123 PolarHBondContact O-N 2.79Å; W121-Q123 PolarHBondContact O-N 3.07Å; Q123-P125 WeakPolarHBondContact O-CD 3.47Å
124N80Confident82.2Confident67 Ų6754.4 Ų54.436%0.35828%0.281SS..  trans-126.487-173.3-171.4-16.6000111.9I120 W121 V126 K127 C128I120-N124 WeakPolarHBondContact O-CB 3.48Å; I120-N124 PolarHBondContact O-N 3.42Å; W121-N124 PolarHBondContact O-N 3.18Å; N124-V126 PolarHBondContact O-N 3Å; N124-V126 PolarHBondContact OD1-N 2.95Å; N124-K127 HydrophobicContact CB-CB 3.94Å; N124-K127 WeakPolarHBondContact O-CA 3.5Å; N124-K127 WeakPolarHBondContact O-CB 3.42Å; N124-K127 PolarHBondContact O-N 2.83Å; N124-K127 PolarHBondContact OD1-N 3.32Å; N124-K127 VanDerWaalsContact OD1-N 3.1Å; N124-C128 PolarHBondContact O-N 3.42Å
125P78.7Confident82.6Confident62 Ų6252.2 Ų52.240%0.40326%0.259SS..Hα-helixtrans-58.6-31.7179.7-27.135.9000114.2L88 Q123 K127 C128 E129L88-P125 HydrophobicContact CD1-CB 3.73Å; L88-P125 HydrophobicContact CD1-CG 4.18Å; Q123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-K127 VanDerWaalsContact C-N 3.28Å; P125-K127 PolarHBondContact O-N 2.87Å; P125-C128 PolarHBondContact O-N 3.1Å; P125-C128 VanDerWaalsContact O-N 3.11Å; P125-E129 PolarHBondContact O-N 3.02Å
126V72.9Confident83Confident79 Ų7947.8 Ų47.848%0.47924%0.238SC..Hα-helixtrans-64.7-35.3176-177.20000110.8N124 A130 T461N124-V126 PolarHBondContact O-N 3Å; N124-V126 PolarHBondContact OD1-N 2.95Å; V126-A130 WeakPolarHBondContact O-CB 3.48Å; V126-A130 PolarHBondContact O-N 2.79Å; V126-T461 HydrophobicContact CG1-CG2 4.08Å; V126-T461 WeakPolarHBondContact CG1-OG1 3.31Å
127K76.9Confident83.3Confident63 Ų6346.1 Ų46.127%0.27423%0.227SC..Hα-helixtrans-71-29.8172.6-158.4-169.6179.6-165.20112.3E117 W121 N124 P125 A130 D131E117-K127 IonicContact OE1-NZ 3.21Å; W121-K127 HydrophobicContact CD2-CD 3.69Å; W121-K127 HydrophobicContact CD2-CG 4.23Å; W121-K127 HydrophobicContact CE3-CB 4.31Å; W121-K127 HydrophobicContact CE3-CD 3.79Å; W121-K127 HydrophobicContact CE3-CG 3.78Å; W121-K127 HydrophobicContact CG-CD 4.21Å; W121-K127 HydrophobicContact CH2-CD 4.29Å; W121-K127 HydrophobicContact CH2-CG 4.17Å; W121-K127 HydrophobicContact CZ2-CD 4.19Å; W121-K127 HydrophobicContact CZ3-CD 4.12Å; W121-K127 HydrophobicContact CZ3-CG 3.78Å; W121-K127 WeakPolarHBondContact CZ3-O 3.47Å; N124-K127 HydrophobicContact CB-CB 3.94Å; N124-K127 WeakPolarHBondContact O-CA 3.5Å; N124-K127 WeakPolarHBondContact O-CB 3.42Å; N124-K127 PolarHBondContact O-N 2.83Å; N124-K127 PolarHBondContact OD1-N 3.32Å; N124-K127 VanDerWaalsContact OD1-N 3.1Å; P125-K127 VanDerWaalsContact C-N 3.28Å; P125-K127 PolarHBondContact O-N 2.87Å; K127-A130 VanDerWaalsContact O-CB 3.3Å; K127-A130 WeakPolarHBondContact O-CB 3.3Å; K127-A130 PolarHBondContact O-N 3.1Å; K127-D131 PolarHBondContact O-N 3.32Å
128C80.4Confident83.4Confident0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-77.6-29.9175.2-70.20000113.9G84 L88 W121 N124 P125 A130 P132 A135G84-C128 VanDerWaalsContact CA-O 3.25Å; G84-C128 WeakPolarHBondContact CA-O 3.5Å; L88-C128 HydrophobicContact CD1-CB 3.95Å; L88-C128 HydrophobicContact CD2-CB 4.12Å; L88-C128 HydrophobicContact CG-CB 3.88Å; W121-C128 PolarHBondContact O-SG 3.37Å; W121-C128 VanDerWaalsContact O-SG 3.38Å; N124-C128 PolarHBondContact O-N 3.42Å; P125-C128 PolarHBondContact O-N 3.1Å; P125-C128 VanDerWaalsContact O-N 3.11Å; C128-A130 VanDerWaalsContact C-N 3.34Å; C128-P132 VanDerWaalsContact O-CA 3.32Å; C128-P132 WeakPolarHBondContact O-CA 3.32Å; C128-A135 HydrophobicContact CB-CB 4.16Å
129E74.9Confident83.6Confident57 Ų5741.3 Ų41.327%0.26621%0.206SC..Hα-helixtrans-77-22.3168-57.9-62.4166.800112.4S82 G84 Q85 P125S82-E129 WeakPolarHBondContact CB-OE2 3.34Å; S82-E129 VanDerWaalsContact OG-CD 3.23Å; S82-E129 PolarHBondContact OG-OE1 3.46Å; S82-E129 PolarHBondContact OG-OE2 3.19Å; G84-E129 VanDerWaalsContact CA-CD 3.4Å; G84-E129 WeakPolarHBondContact CA-OE1 3.47Å; G84-E129 VanDerWaalsContact CA-OE2 3.31Å; G84-E129 WeakPolarHBondContact CA-OE2 3.19Å; G84-E129 PolarHBondContact N-OE2 2.74Å; Q85-E129 VanDerWaalsContact CG-OE1 3.3Å; Q85-E129 WeakPolarHBondContact CG-OE1 3.42Å; Q85-E129 PolarHBondContact N-OE1 3.37Å; Q85-E129 PolarHBondContact NE2-OE1 3.15Å; P125-E129 PolarHBondContact O-N 3.02Å
130A68.6Low83.7Confident14 Ų1437.4 Ų37.412%0.11619%0.191CC..Hα-helixtrans-63-52.417800000113.6V126 K127 C128 H462V126-A130 WeakPolarHBondContact O-CB 3.48Å; V126-A130 PolarHBondContact O-N 2.79Å; K127-A130 VanDerWaalsContact O-CB 3.3Å; K127-A130 WeakPolarHBondContact O-CB 3.3Å; K127-A130 PolarHBondContact O-N 3.1Å; C128-A130 VanDerWaalsContact C-N 3.34Å; A130-H462 WeakPolarHBondContact CA-CD2 3.41Å; A130-H462 WeakPolarHBondContact CB-CD2 3.25Å; A130-H462 WeakPolarHBondContact CB-NE2 3.49Å
131D78.6Confident83.9Confident17 Ų1734 Ų349%0.09117%0.173CC..  trans-138.581.4179.2-169.6-23.2000107.6W121 K127 V133 E134 A135 C491W121-D131 HydrophobicContact CH2-CB 4.17Å; W121-D131 HydrophobicContact CZ3-CB 4.43Å; K127-D131 PolarHBondContact O-N 3.32Å; D131-V133 PolarHBondContact O-N 3.2Å; D131-V133 WeakPolarHBondContact OD1-CB 3.23Å; D131-V133 PolarHBondContact OD1-N 3.37Å; D131-E134 HydrophobicContact CB-CB 4.06Å; D131-E134 PolarHBondContact O-N 2.82Å; D131-E134 WeakPolarHBondContact OD1-CB 3.4Å; D131-E134 PolarHBondContact OD1-N 3.04Å; D131-E134 WeakPolarHBondContact OD2-CB 3.09Å; D131-A135 WeakPolarHBondContact O-CB 3.37Å; D131-A135 PolarHBondContact O-N 3.38Å; D131-C491 PolarHBondContact OD2-SG 2.84Å; D131-C491 VanDerWaalsContact OD2-SG 3.39Å
132P84.8Confident83.9Confident13 Ų1335.9 Ų35.98%0.08418%0.183CC..Hα-helixtrans-66.7-18.6179.327.9-35.4000111.9A83 C128 F136 V182 L187A83-P132 HydrophobicContact CB-CB 3.58Å; A83-P132 HydrophobicContact CB-CG 3.83Å; C128-P132 VanDerWaalsContact O-CA 3.32Å; C128-P132 WeakPolarHBondContact O-CA 3.32Å; P132-F136 VanDerWaalsContact O-CB 3.27Å; P132-F136 WeakPolarHBondContact O-CB 3.24Å; P132-F136 PolarHBondContact O-N 3.42Å; P132-V182 HydrophobicContact CG-CB 4.33Å; P132-L187 HydrophobicContact CB-CD2 4.27Å; P132-L187 WeakPolarHBondContact O-CD1 3.21Å
133V87Confident84Confident12 Ų1233.7 Ų33.77%0.07317%0.171CC..Hα-helixtrans-71.6-52176.1174.80000109.9D131 F136 R137 V182 L187 F191D131-V133 PolarHBondContact O-N 3.2Å; D131-V133 WeakPolarHBondContact OD1-CB 3.23Å; D131-V133 PolarHBondContact OD1-N 3.37Å; V133-F136 PolarHBondContact O-N 3.44Å; V133-R137 PolarHBondContact O-N 3.47Å; V133-V182 HydrophobicContact CG2-CB 4.5Å; V133-V182 HydrophobicContact CG2-CG1 4.16Å; V133-V182 HydrophobicContact CG2-CG2 3.92Å; V133-L187 HydrophobicContact CB-CD1 4.41Å; V133-L187 HydrophobicContact CG2-CD1 4.02Å; V133-F191 HydrophobicContact CB-CE2 4.46Å; V133-F191 HydrophobicContact CG1-CE2 3.83Å; V133-F191 HydrophobicContact CG1-CZ 3.78Å; V133-F191 WeakPolarHBondContact O-CE2 3.38Å; V133-F191 VanDerWaalsContact O-CZ 3.24Å; V133-F191 WeakPolarHBondContact O-CZ 3.43Å
134E88.3Confident84.1Confident37 Ų3726.6 Ų26.617%0.17314%0.138CC..Hα-helixtrans-67.3-38.2177.1-178.269162.300111.7W121 D131 F136 R137 L138W121-E134 HydrophobicContact CH2-CB 3.74Å; W121-E134 HydrophobicContact CH2-CG 3.45Å; W121-E134 VanDerWaalsContact CH2-CG 3.45Å; W121-E134 HydrophobicContact CZ2-CB 4.17Å; W121-E134 HydrophobicContact CZ2-CG 3.34Å; W121-E134 HydrophobicContact CZ3-CB 4.47Å; W121-E134 HydrophobicContact CZ3-CG 4.45Å; D131-E134 HydrophobicContact CB-CB 4.06Å; D131-E134 PolarHBondContact O-N 2.82Å; D131-E134 WeakPolarHBondContact OD1-CB 3.4Å; D131-E134 PolarHBondContact OD1-N 3.04Å; D131-E134 WeakPolarHBondContact OD2-CB 3.09Å; E134-F136 PolarHBondContact O-N 3.05Å; E134-R137 PolarHBondContact O-N 3.4Å; E134-R137 IonicContact OE1-CZ 3.69Å; E134-R137 IonicContact OE1-NE 3.95Å; E134-R137 IonicContact OE1-NH2 2.66Å; E134-R137 PolarHBondContact OE1-NH2 3.2Å; E134-R137 IonicContact OE2-CZ 3.04Å; E134-R137 IonicContact OE2-NE 3.34Å; E134-R137 PolarHBondContact OE2-NE 2.87Å; E134-R137 IonicContact OE2-NH2 3.27Å; E134-R137 PolarHBondContact OE2-NH2 2.86Å; E134-R137 VanDerWaalsContact OE2-NH2 3.13Å; E134-L138 HydrophobicContact CG-CD1 3.98Å; E134-L138 WeakPolarHBondContact O-CB 3.38Å; E134-L138 PolarHBondContact O-N 2.78Å
135A89.7Confident84.2Confident0 Ų026.1 Ų26.10%014%0.14CC..Hα-helixtrans-60-44.3171.900000111.6V87 W121 C128 D131 L139V87-A135 HydrophobicContact CB-CB 4.48Å; V87-A135 HydrophobicContact CG1-CB 3.91Å; V87-A135 HydrophobicContact CG2-CB 4.42Å; W121-A135 HydrophobicContact CE3-CB 3.81Å; W121-A135 HydrophobicContact CZ3-CB 3.88Å; C128-A135 HydrophobicContact CB-CB 4.16Å; D131-A135 WeakPolarHBondContact O-CB 3.37Å; D131-A135 PolarHBondContact O-N 3.38Å; A135-L139 WeakPolarHBondContact O-CB 3.37Å; A135-L139 WeakPolarHBondContact O-CG 3.5Å; A135-L139 PolarHBondContact O-N 3.32Å
136F92Very high84.1Confident0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-66.4-40.8175.6-165.9-77.1000111.8F86 V87 L90 P132 V133 E134 V140 A141 L187 W188 F191 L195F86-F136 HydrophobicContact CE1-CD2 4.22Å; F86-F136 AromaticContact CE1-CE2 3.86Å; F86-F136 HydrophobicContact CE1-CE2 3.86Å; F86-F136 HydrophobicContact CZ-CE2 4.5Å; V87-F136 HydrophobicContact CG2-CB 3.85Å; V87-F136 HydrophobicContact CG2-CD2 3.99Å; V87-F136 HydrophobicContact CG2-CG 4.42Å; L90-F136 HydrophobicContact CD2-CE2 3.93Å; P132-F136 VanDerWaalsContact O-CB 3.27Å; P132-F136 WeakPolarHBondContact O-CB 3.24Å; P132-F136 PolarHBondContact O-N 3.42Å; V133-F136 PolarHBondContact O-N 3.44Å; E134-F136 PolarHBondContact O-N 3.05Å; F136-V140 HydrophobicContact CD1-CB 4.05Å; F136-V140 HydrophobicContact CD1-CG1 4.4Å; F136-V140 HydrophobicContact CD2-CB 4.21Å; F136-V140 HydrophobicContact CD2-CG1 4.48Å; F136-V140 HydrophobicContact CD2-CG2 4.24Å; F136-V140 HydrophobicContact CE1-CB 3.98Å; F136-V140 HydrophobicContact CE1-CG1 3.82Å; F136-V140 HydrophobicContact CE2-CB 4.14Å; F136-V140 HydrophobicContact CE2-CG1 3.9Å; F136-V140 HydrophobicContact CE2-CG2 4.34Å; F136-V140 HydrophobicContact CG-CB 4.16Å; F136-V140 HydrophobicContact CG-CG2 4.49Å; F136-V140 HydrophobicContact CZ-CB 4.03Å; F136-V140 HydrophobicContact CZ-CG1 3.55Å; F136-V140 CarbonylContact O-C 3.51Å; F136-V140 WeakPolarHBondContact O-CA 3.24Å; F136-V140 WeakPolarHBondContact O-CB 3.47Å; F136-V140 PolarHBondContact O-N 3.05Å; F136-A141 HydrophobicContact CD1-CB 4.15Å; F136-A141 HydrophobicContact CE1-CB 4.15Å; F136-A141 PolarHBondContact O-N 3.37Å; F136-L187 HydrophobicContact CB-CD1 3.8Å; F136-L187 HydrophobicContact CB-CD2 4.18Å; F136-L187 HydrophobicContact CB-CG 4.13Å; F136-L187 HydrophobicContact CD2-CD2 3.93Å; F136-L187 HydrophobicContact CD2-CG 3.94Å; F136-L187 HydrophobicContact CG-CD1 4.23Å; F136-L187 HydrophobicContact CG-CD2 4.37Å; F136-L187 HydrophobicContact CG-CG 4.14Å; F136-W188 AromaticContact CE2-CE3 3.66Å; F136-W188 HydrophobicContact CE2-CE3 3.66Å; F136-W188 AromaticContact CE2-CZ3 3.74Å; F136-W188 HydrophobicContact CE2-CZ3 3.74Å; F136-W188 AromaticContact CZ-CE3 3.63Å; F136-W188 HydrophobicContact CZ-CE3 3.63Å; F136-W188 AromaticContact CZ-CZ3 3.62Å; F136-W188 HydrophobicContact CZ-CZ3 3.62Å; F136-F191 HydrophobicContact CB-CD2 4.13Å; F136-F191 HydrophobicContact CB-CE2 3.96Å; F136-F191 HydrophobicContact CD1-CB 3.72Å; F136-F191 HydrophobicContact CD1-CD1 4.14Å; F136-F191 AromaticContact CD1-CD2 3.33Å; F136-F191 HydrophobicContact CD1-CD2 3.33Å; F136-F191 AromaticContact CD1-CE2 3.94Å; F136-F191 HydrophobicContact CD1-CE2 3.94Å; F136-F191 AromaticContact CD1-CG 3.45Å; F136-F191 HydrophobicContact CD1-CG 3.45Å; F136-F191 VanDerWaalsContact CD1-CG 3.45Å; F136-F191 HydrophobicContact CE1-CB 3.43Å; F136-F191 VanDerWaalsContact CE1-CB 3.43Å; F136-F191 AromaticContact CE1-CD2 3.97Å; F136-F191 HydrophobicContact CE1-CD2 3.97Å; F136-F191 AromaticContact CE1-CG 3.75Å; F136-F191 HydrophobicContact CE1-CG 3.75Å; F136-F191 AromaticContact CG-CD2 3.9Å; F136-F191 HydrophobicContact CG-CD2 3.9Å; F136-F191 HydrophobicContact CG-CE2 4.26Å; F136-F191 HydrophobicContact CG-CG 4.44Å; F136-F191 HydrophobicContact CZ-CB 4.36Å; F136-L195 HydrophobicContact CE1-CD2 4.28Å; F136-L195 HydrophobicContact CZ-CD2 4.42Å
137R92Very high84.4Confident73 Ų7324.8 Ų24.828%0.27513%0.127SC..Iπ-helixtrans-55.7-59175.2-176-177.468.392.3-3.1110.6V133 E134 A141 E142 F191V133-R137 PolarHBondContact O-N 3.47Å; E134-R137 PolarHBondContact O-N 3.4Å; E134-R137 IonicContact OE1-CZ 3.69Å; E134-R137 IonicContact OE1-NE 3.95Å; E134-R137 IonicContact OE1-NH2 2.66Å; E134-R137 PolarHBondContact OE1-NH2 3.2Å; E134-R137 IonicContact OE2-CZ 3.04Å; E134-R137 IonicContact OE2-NE 3.34Å; E134-R137 PolarHBondContact OE2-NE 2.87Å; E134-R137 IonicContact OE2-NH2 3.27Å; E134-R137 PolarHBondContact OE2-NH2 2.86Å; E134-R137 VanDerWaalsContact OE2-NH2 3.13Å; R137-A141 PolarHBondContact O-N 3.45Å; R137-E142 HydrophobicContact CG-CG 3.92Å; R137-E142 IonicContact CZ-OE1 3.15Å; R137-E142 IonicContact NE-OE1 3.12Å; R137-E142 VanDerWaalsContact NH1-CD 3.26Å; R137-E142 IonicContact NH1-OE1 2.76Å; R137-E142 PolarHBondContact NH1-OE1 3.22Å; R137-E142 IonicContact NH1-OE2 3.69Å; R137-E142 PolarHBondContact NH1-OE2 2.65Å; R137-E142 WeakPolarHBondContact O-CG 3.32Å; R137-E142 PolarHBondContact O-N 3.02Å; R137-F191 HydrophobicContact CB-CE1 3.87Å; R137-F191 HydrophobicContact CB-CZ 3.87Å; R137-F191 HydrophobicContact CG-CE1 4.32Å
138L90.3Very high83.9Confident7 Ų730.2 Ų30.24%0.03715%0.151CC..Iπ-helixtrans-71.2-36.7-172.2-73.8173.3000113.1E117 R118 W121 E134 P143E117-L138 HydrophobicContact CG-CD1 4.32Å; R118-L138 WeakPolarHBondContact CD-O 3.39Å; R118-L138 HydrophobicContact CG-CB 4.44Å; R118-L138 PolarHBondContact NE-O 2.94Å; W121-L138 HydrophobicContact CD2-CD1 4.47Å; W121-L138 HydrophobicContact CZ2-CD1 4.09Å; E134-L138 HydrophobicContact CG-CD1 3.98Å; E134-L138 WeakPolarHBondContact O-CB 3.38Å; E134-L138 PolarHBondContact O-N 2.78Å; L138-P143 WeakPolarHBondContact O-CD 3.28Å; L138-P143 VanDerWaalsContact O-CG 3.24Å; L138-P143 WeakPolarHBondContact O-CG 3.26Å
139L90.9Very high83.3Confident0 Ų030.9 Ų30.90%016%0.155CC..Iπ-helixtrans-97.8-21.2-174-57.7179.3000114.3V87 T91 Y108 V112 R118 W121 A135V87-L139 HydrophobicContact CG1-CB 4.26Å; V87-L139 HydrophobicContact CG1-CD1 3.99Å; T91-L139 HydrophobicContact CG2-CB 3.97Å; T91-L139 HydrophobicContact CG2-CD1 4.48Å; T91-L139 VanDerWaalsContact OG1-CB 3.29Å; T91-L139 WeakPolarHBondContact OG1-CB 3.45Å; Y108-L139 PolarHBondContact OH-O 3.29Å; V112-L139 HydrophobicContact CG1-CD2 4.37Å; R118-L139 HydrophobicContact CB-CD2 3.92Å; R118-L139 HydrophobicContact CG-CD2 4.27Å; R118-L139 WeakPolarHBondContact O-CD2 3.3Å; W121-L139 HydrophobicContact CB-CD1 4.07Å; W121-L139 HydrophobicContact CB-CD2 4.17Å; W121-L139 HydrophobicContact CB-CG 4.31Å; A135-L139 WeakPolarHBondContact O-CB 3.37Å; A135-L139 WeakPolarHBondContact O-CG 3.5Å; A135-L139 PolarHBondContact O-N 3.32Å
140V90.4Very high82.4Confident0 Ų034.1 Ų34.10%017%0.173CC..Iπ-helixtrans-123.4-61.3-173.6-175.70000111.7V87 L90 T91 L94 F136 L144V87-V140 HydrophobicContact CG1-CG2 4.37Å; L90-V140 HydrophobicContact CD2-CG1 3.74Å; L90-V140 HydrophobicContact CD2-CG2 3.97Å; L90-V140 HydrophobicContact CG-CG1 4.33Å; L90-V140 HydrophobicContact CG-CG2 4.16Å; T91-V140 WeakPolarHBondContact OG1-CG2 3.29Å; L94-V140 HydrophobicContact CD1-CG1 4.41Å; F136-V140 HydrophobicContact CD1-CB 4.05Å; F136-V140 HydrophobicContact CD1-CG1 4.4Å; F136-V140 HydrophobicContact CD2-CB 4.21Å; F136-V140 HydrophobicContact CD2-CG1 4.48Å; F136-V140 HydrophobicContact CD2-CG2 4.24Å; F136-V140 HydrophobicContact CE1-CB 3.98Å; F136-V140 HydrophobicContact CE1-CG1 3.82Å; F136-V140 HydrophobicContact CE2-CB 4.14Å; F136-V140 HydrophobicContact CE2-CG1 3.9Å; F136-V140 HydrophobicContact CE2-CG2 4.34Å; F136-V140 HydrophobicContact CG-CB 4.16Å; F136-V140 HydrophobicContact CG-CG2 4.49Å; F136-V140 HydrophobicContact CZ-CB 4.03Å; F136-V140 HydrophobicContact CZ-CG1 3.55Å; F136-V140 CarbonylContact O-C 3.51Å; F136-V140 WeakPolarHBondContact O-CA 3.24Å; F136-V140 WeakPolarHBondContact O-CB 3.47Å; F136-V140 PolarHBondContact O-N 3.05Å; V140-L144 HydrophobicContact CG1-CD1 3.76Å; V140-L144 VanDerWaalsContact O-CB 3.25Å; V140-L144 WeakPolarHBondContact O-CB 3.46Å; V140-L144 WeakPolarHBondContact O-CD1 3.43Å; V140-L144 WeakPolarHBondContact O-CG 3.45Å; V140-L144 PolarHBondContact O-N 2.94Å
141A89Confident81.8Confident0 Ų038.6 Ų38.60%020%0.195CC..Iπ-helixtrans-66-53.9-169.900000112.9F136 R137 L144 S145 F191F136-A141 HydrophobicContact CD1-CB 4.15Å; F136-A141 HydrophobicContact CE1-CB 4.15Å; F136-A141 PolarHBondContact O-N 3.37Å; R137-A141 PolarHBondContact O-N 3.45Å; A141-L144 PolarHBondContact O-N 3.33Å; A141-S145 WeakPolarHBondContact O-CB 3.37Å; A141-S145 PolarHBondContact O-N 2.83Å; A141-S145 PolarHBondContact O-OG 2.99Å; A141-F191 HydrophobicContact CB-CD1 3.83Å; A141-F191 HydrophobicContact CB-CE1 4.37Å; A141-F191 HydrophobicContact CB-CG 4.42Å
142E88Confident80.5Confident54 Ų5442.7 Ų42.725%0.25222%0.221SC..Hα-helixtrans-70.3-39.6-176.8-64.1-179.3160.500114.6R118 R137 L144 S145 N146R118-E142 IonicContact NH2-OE2 2.69Å; R118-E142 PolarHBondContact NH2-OE2 3.47Å; R137-E142 HydrophobicContact CG-CG 3.92Å; R137-E142 IonicContact CZ-OE1 3.15Å; R137-E142 IonicContact NE-OE1 3.12Å; R137-E142 VanDerWaalsContact NH1-CD 3.26Å; R137-E142 IonicContact NH1-OE1 2.76Å; R137-E142 PolarHBondContact NH1-OE1 3.22Å; R137-E142 IonicContact NH1-OE2 3.69Å; R137-E142 PolarHBondContact NH1-OE2 2.65Å; R137-E142 WeakPolarHBondContact O-CG 3.32Å; R137-E142 PolarHBondContact O-N 3.02Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-S145 PolarHBondContact O-OG 3.19Å; E142-N146 PolarHBondContact O-ND2 2.97Å
143P87.5Confident79Confident1 Ų144.9 Ų44.91%0.00624%0.235CC..Hα-helixtrans-65.1-38.4174.6-23.236000111.9Y108 K111 V112 L138 V147Y108-P143 HydrophobicContact CD2-CB 3.66Å; Y108-P143 HydrophobicContact CE2-CB 3.61Å; Y108-P143 HydrophobicContact CE2-CG 4.41Å; K111-P143 HydrophobicContact CB-CB 4.18Å; V112-P143 HydrophobicContact CG2-CB 3.78Å; V112-P143 HydrophobicContact CG2-CG 3.72Å; L138-P143 WeakPolarHBondContact O-CD 3.28Å; L138-P143 VanDerWaalsContact O-CG 3.24Å; L138-P143 WeakPolarHBondContact O-CG 3.26Å; P143-V147 WeakPolarHBondContact O-CG2 3.46Å
144L85.5Confident77.2Confident2 Ų251.2 Ų51.21%0.0128%0.277CS..Hα-helixtrans-73.2-43.9178.9-71.1174.8000113.2L94 Y108 V140 A141 E142 N146 V147 L195 P196 W198 L199L94-L144 HydrophobicContact CD1-CD1 3.98Å; L94-L144 HydrophobicContact CD1-CD2 4.34Å; L94-L144 HydrophobicContact CD1-CG 4.41Å; L94-L144 HydrophobicContact CD2-CD2 4.43Å; Y108-L144 HydrophobicContact CD2-CD2 3.72Å; Y108-L144 HydrophobicContact CD2-CG 4.07Å; Y108-L144 HydrophobicContact CE2-CD2 3.97Å; Y108-L144 HydrophobicContact CE2-CG 3.94Å; V140-L144 HydrophobicContact CG1-CD1 3.76Å; V140-L144 VanDerWaalsContact O-CB 3.25Å; V140-L144 WeakPolarHBondContact O-CB 3.46Å; V140-L144 WeakPolarHBondContact O-CD1 3.43Å; V140-L144 WeakPolarHBondContact O-CG 3.45Å; V140-L144 PolarHBondContact O-N 2.94Å; A141-L144 PolarHBondContact O-N 3.33Å; E142-L144 VanDerWaalsContact C-N 3.35Å; L144-N146 PolarHBondContact O-N 2.99Å; L144-V147 PolarHBondContact O-N 3.26Å; L144-L195 HydrophobicContact CD1-CD2 4.27Å; L144-P196 HydrophobicContact CB-CG 4.06Å; L144-P196 VanDerWaalsContact O-CG 3.28Å; L144-P196 WeakPolarHBondContact O-CG 3.27Å; L144-W198 HydrophobicContact CD2-CH2 4.16Å; L144-L199 HydrophobicContact CD1-CD2 4.14Å
145S82Confident75.4Confident58 Ų5854 Ų5441%0.40631%0.306SS..Hα-helixtrans-57-26.9-177.866.10000113.1A141 E142 Q194A141-S145 WeakPolarHBondContact O-CB 3.37Å; A141-S145 PolarHBondContact O-N 2.83Å; A141-S145 PolarHBondContact O-OG 2.99Å; E142-S145 PolarHBondContact O-OG 3.19Å; S145-Q194 WeakPolarHBondContact CB-O 3.4Å
146N76.4Confident73.4Confident104 Ų10457 Ų5756%0.55634%0.337SS*.THydrogen-bonded Turntrans-100.611.3179.5-64.8-82.7000114.2K111 E142 L144K111-N146 HydrophobicContact CD-CB 4.41Å; K111-N146 VanDerWaalsContact NZ-CB 3.29Å; K111-N146 PolarHBondContact NZ-O 3.27Å; E142-N146 PolarHBondContact O-ND2 2.97Å; L144-N146 PolarHBondContact O-N 2.99Å
147V78.2Confident71.6Confident8 Ų857.3 Ų57.35%0.04834%0.34CS..PPolyproline II helixtrans-96.8130.8177.8163.40000111.3V105 P143 L144 W198V105-V147 HydrophobicContact CG1-CG1 3.74Å; P143-V147 WeakPolarHBondContact O-CG2 3.46Å; L144-V147 PolarHBondContact O-N 3.26Å; V147-W198 HydrophobicContact CB-CZ2 4.48Å; V147-W198 HydrophobicContact CG1-CZ2 4.28Å; V147-W198 PolarHBondContact O-NE1 3.01Å
148K66.5Low69.9Low177 Ų17754 Ų5477%0.7733%0.328SS*.PPolyproline II helixtrans-90.3131.4172.3-65.2-172.7177.5-174.30109.3
149V67.8Low68.9Low15 Ų1554.2 Ų54.29%0.09133%0.331CS..BIsolated β-bridgetrans-86.6134.3167.9176.50000107.7T104 V105 F160 W198T104-V149 WeakPolarHBondContact O-CA 3.29Å; V105-V149 HydrophobicContact CG2-CG2 4.44Å; V149-F160 HydrophobicContact CG1-CD2 4.39Å; V149-F160 HydrophobicContact CG1-CE2 3.87Å; V149-W198 HydrophobicContact CG2-CD2 3.58Å; V149-W198 HydrophobicContact CG2-CE3 3.99Å; V149-W198 HydrophobicContact CG2-CG 3.89Å; V149-W198 HydrophobicContact CG2-CH2 4.4Å; V149-W198 HydrophobicContact CG2-CZ2 4.01Å; V149-W198 HydrophobicContact CG2-CZ3 4.38Å
150L57.7Low68.6Low124 Ų12455.1 Ų55.165%0.64933%0.334SS*.SBendtrans-73.8-34.5-177.2-71.8166.6000112.6T104T104-L150 PolarHBondContact O-N 3.19Å
151D55.2Low68.6Low108 Ų10855.1 Ų55.158%0.57833%0.334SS*.  trans-108.990.3179.9-58.4-64.6000111.4S159D151-S159 PolarHBondContact O-OG 3.3Å
152T52Low68.7Low104 Ų10455.2 Ų55.264%0.63834%0.335SS*.  trans-92.6120.2169.152.20000110.4
153P52.4Low68.9Low58 Ų5852.7 Ų52.738%0.37732%0.323SS..  trans-65.7145.7175.327.8-34.2000110.9A155 G156 S159P153-A155 PolarHBondContact O-N 3.43Å; P153-G156 PolarHBondContact O-N 3.44Å; P153-S159 WeakPolarHBondContact CD-OG 3.3Å
154P49.2Very low69.2Low145 Ų14552.6 Ų52.694%0.94232%0.323SS*.THydrogen-bonded Turntrans-68.42.6-167.127.1-36.5000116
155A49.6Very low69.4Low95 Ų9552.6 Ų52.679%0.78532%0.323SS*.THydrogen-bonded Turntrans-116.513.1-178.500000113.8P153 G157P153-A155 PolarHBondContact O-N 3.43Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.07Å
156G49.2Very low69.6Low63 Ų6351 Ų5165%0.64931%0.312SS*.  trans71.614.5176.900000115.5P153P153-G156 PolarHBondContact O-N 3.44Å
157G53.3Low70Confident7 Ų746.1 Ų46.17%0.07229%0.286CS..  trans-65.6157.417600000113.4A155 S159A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.07Å; G157-S159 PolarHBondContact O-N 3.44Å
158C57.5Low69.9Low3 Ų347.4 Ų47.42%0.0229%0.291CS..  trans-77.7119.6179.4-57.30000110.1L26 P197 W198 F200L26-C158 WeakPolarHBondContact CD2-O 3.38Å; L26-C158 HydrophobicContact CG-CB 4.37Å; L26-C158 WeakPolarHBondContact CG-O 3.27Å; L26-C158 PolarHBondContact O-N 2.78Å; L26-C158 VanDerWaalsContact O-N 3.08Å; C158-P197 PolarHBondContact SG-O 3.5Å; C158-P197 VanDerWaalsContact SG-O 3.41Å; C158-W198 WeakPolarHBondContact CA-O 3.46Å; C158-W198 WeakPolarHBondContact CB-O 3.29Å; C158-F200 HydrophobicContact CB-CB 3.8Å
159S68.8Low69.8Low13 Ų1341.3 Ų41.39%0.09127%0.267CS..  trans-73.7-29-179.5-57.40000113.2R66 D151 P153 G157 W198R66-S159 WeakPolarHBondContact CD-O 3.21Å; D151-S159 PolarHBondContact O-OG 3.3Å; P153-S159 WeakPolarHBondContact CD-OG 3.3Å; G157-S159 PolarHBondContact O-N 3.44Å; S159-W198 PolarHBondContact N-O 3.32Å
160F85.3Confident69.3Low18 Ų1848.1 Ų48.18%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-142159.9-168.7-65.6-74000113.3R66 L68 T104 V105 V149 W198 F200R66-F160 HydrophobicContact CB-CD1 4.39Å; R66-F160 WeakPolarHBondContact O-CA 3.34Å; R66-F160 WeakPolarHBondContact O-CD1 3.42Å; L68-F160 HydrophobicContact CD1-CB 3.52Å; L68-F160 HydrophobicContact CD1-CG 4.06Å; L68-F160 HydrophobicContact CD2-CD1 4.17Å; L68-F160 HydrophobicContact CD2-CG 4.37Å; L68-F160 HydrophobicContact CG-CB 3.82Å; L68-F160 HydrophobicContact CG-CD1 4.16Å; L68-F160 HydrophobicContact CG-CG 4.14Å; T104-F160 HydrophobicContact CG2-CZ 4.03Å; T104-F160 WeakPolarHBondContact OG1-CZ 3.39Å; V105-F160 HydrophobicContact CG2-CD2 4.03Å; V105-F160 HydrophobicContact CG2-CE2 4.18Å; V105-F160 HydrophobicContact CG2-CG 4.49Å; V149-F160 HydrophobicContact CG1-CD2 4.39Å; V149-F160 HydrophobicContact CG1-CE2 3.87Å; F160-W198 HydrophobicContact CB-CE3 4.4Å; F160-W198 HydrophobicContact CB-CZ3 4.32Å; F160-F200 PolarHBondContact O-N 2.73Å
161F88.6Confident68.4Low0 Ų046.5 Ų46.50%029%0.289CS..EExtended strand (participates in β ladder)trans-138.6158.1177.270.2-78.9000116.2L26 I50 L63 R66 L67 L68 M163 F200 L202L26-F161 HydrophobicContact CD1-CB 3.9Å; L26-F161 HydrophobicContact CD1-CD1 3.53Å; L26-F161 HydrophobicContact CD1-CE1 4.34Å; L26-F161 HydrophobicContact CD1-CG 4.04Å; I50-F161 HydrophobicContact CG2-CE2 4.22Å; I50-F161 HydrophobicContact CG2-CZ 3.83Å; L63-F161 HydrophobicContact CB-CE1 4.32Å; L63-F161 HydrophobicContact CB-CZ 4.17Å; L63-F161 HydrophobicContact CD2-CE1 4.12Å; L63-F161 HydrophobicContact CD2-CZ 4.35Å; L63-F161 WeakPolarHBondContact O-CE1 3.41Å; R66-F161 HydrophobicContact CB-CD1 4.08Å; R66-F161 HydrophobicContact CB-CE1 4.04Å; R66-F161 WeakPolarHBondContact O-CD1 3.5Å; R66-F161 PolarHBondContact O-N 3Å; L67-F161 HydrophobicContact CB-CE1 4.14Å; L67-F161 HydrophobicContact CB-CE2 4.3Å; L67-F161 HydrophobicContact CB-CZ 3.91Å; L67-F161 HydrophobicContact CD1-CD2 3.85Å; L67-F161 HydrophobicContact CD1-CE2 3.53Å; L67-F161 HydrophobicContact CD1-CZ 4.03Å; L67-F161 HydrophobicContact CG-CE2 4.5Å; L68-F161 PolarHBondContact N-O 2.84Å; F161-M163 HydrophobicContact CD2-CB 4.34Å; F161-M163 HydrophobicContact CE2-CB 4.26Å; F161-F200 WeakPolarHBondContact CA-O 3.36Å; F161-F200 HydrophobicContact CB-CB 3.86Å; F161-F200 HydrophobicContact CB-CD1 3.71Å; F161-F200 HydrophobicContact CB-CG 4.23Å; F161-F200 VanDerWaalsContact CB-O 3.26Å; F161-F200 WeakPolarHBondContact CB-O 3.38Å; F161-F200 HydrophobicContact CG-CD1 4.45Å; F161-L202 HydrophobicContact CD2-CB 4.02Å; F161-L202 HydrophobicContact CD2-CD2 4.38Å; F161-L202 HydrophobicContact CE2-CB 4.41Å; F161-L202 HydrophobicContact CE2-CD2 3.94Å
162V91.3Very high67.3Low2 Ų246.2 Ų46.21%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-110.9143.8163.9169.40000109A69 L90 I164 W188 L199 F200 L202A69-V162 HydrophobicContact CB-CG2 4.28Å; A69-V162 WeakPolarHBondContact O-CA 3.43Å; L90-V162 HydrophobicContact CD1-CG1 4.18Å; L90-V162 HydrophobicContact CD1-CG2 4.15Å; V162-I164 HydrophobicContact CG1-CG1 4.37Å; V162-W188 HydrophobicContact CB-CH2 3.95Å; V162-W188 HydrophobicContact CB-CZ2 4.28Å; V162-W188 HydrophobicContact CG1-CH2 3.71Å; V162-W188 HydrophobicContact CG1-CZ2 4.27Å; V162-W188 HydrophobicContact CG1-CZ3 4.35Å; V162-W188 HydrophobicContact CG2-CH2 4.34Å; V162-L199 HydrophobicContact CG2-CD1 4.17Å; V162-F200 PolarHBondContact N-O 3.26Å; V162-L202 PolarHBondContact O-N 3.04Å
163M93.3Very high66.2Low1 Ų145.5 Ų45.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-120.6132.5-177.2-170.4176.568.200112.6C47 I50 I51 L67 A69 Y70 Y71 F161 L202C47-M163 HydrophobicContact CB-CE 3.56Å; C47-M163 HydrophobicContact CB-SD 3.79Å; C47-M163 WeakPolarHBondContact O-CE 2.98Å; C47-M163 PolarHBondContact SG-SD 3.46Å; I50-M163 HydrophobicContact CD1-SD 4.39Å; I50-M163 HydrophobicContact CG2-SD 4.36Å; I51-M163 HydrophobicContact CD1-CE 3.38Å; I51-M163 HydrophobicContact CG1-CE 3.49Å; I51-M163 VanDerWaalsContact CG1-CE 3.49Å; L67-M163 HydrophobicContact CD1-CB 3.83Å; A69-M163 PolarHBondContact O-N 2.91Å; Y70-M163 CarbonylContact C-O 3.6Å; Y70-M163 VanDerWaalsContact CA-O 3.25Å; Y70-M163 WeakPolarHBondContact CA-O 3.29Å; Y71-M163 PolarHBondContact N-O 3.39Å; F161-M163 HydrophobicContact CD2-CB 4.34Å; F161-M163 HydrophobicContact CE2-CB 4.26Å; M163-L202 CarbonylContact C-O 3.56Å; M163-L202 VanDerWaalsContact CA-O 3.26Å; M163-L202 WeakPolarHBondContact CA-O 3.49Å; M163-L202 HydrophobicContact CB-CB 4.33Å; M163-L202 HydrophobicContact CG-CB 4.09Å; M163-L202 HydrophobicContact CG-CD2 3.9Å; M163-L202 HydrophobicContact CG-CG 3.97Å; M163-L202 HydrophobicContact SD-CD2 3.72Å; M163-L202 HydrophobicContact SD-CG 4.4Å
164I92.6Very high65Low0 Ų045.2 Ų45.20%031%0.308CS..EExtended strand (participates in β ladder)trans-130.7105.2-178.4-48.8176.6000109.2F86 V162 L167 I184 W188 L202 C203 T204F86-I164 HydrophobicContact CE2-CD1 3.96Å; F86-I164 HydrophobicContact CE2-CG1 4.24Å; F86-I164 HydrophobicContact CZ-CD1 3.71Å; F86-I164 HydrophobicContact CZ-CG1 4.46Å; V162-I164 HydrophobicContact CG1-CG1 4.37Å; I164-L167 HydrophobicContact CG2-CB 4.36Å; I164-L167 HydrophobicContact CG2-CD1 4.09Å; I164-I184 HydrophobicContact CG2-CG2 4.46Å; I164-W188 HydrophobicContact CD1-CD2 3.76Å; I164-W188 HydrophobicContact CD1-CE3 3.9Å; I164-W188 HydrophobicContact CD1-CG 4.07Å; I164-W188 HydrophobicContact CD1-CZ3 4.36Å; I164-L202 PolarHBondContact N-O 3.33Å; I164-C203 CarbonylContact O-C 3.24Å; I164-C203 WeakPolarHBondContact O-CA 3.23Å; I164-T204 PolarHBondContact O-N 2.96Å
165D90.9Very high63.9Low2 Ų244 Ų441%0.01130%0.3CS..EExtended strand (participates in β ladder)trans-85.6145.2179.1-172.973.8000112.5T44 C47 Y71 F72 C73 L167 T204T44-D165 WeakPolarHBondContact CA-OD1 3.14Å; T44-D165 WeakPolarHBondContact CB-OD2 3.39Å; T44-D165 WeakPolarHBondContact CG2-OD2 3.43Å; T44-D165 PolarHBondContact OG1-OD1 3.3Å; T44-D165 PolarHBondContact OG1-OD2 3.11Å; C47-D165 HydrophobicContact CB-CB 4.43Å; Y71-D165 PolarHBondContact O-N 3.04Å; F72-D165 HydrophobicContact CD1-CB 3.65Å; F72-D165 HydrophobicContact CE1-CB 4.1Å; C73-D165 WeakPolarHBondContact CB-O 3.48Å; C73-D165 PolarHBondContact N-O 3.29Å; C73-D165 VanDerWaalsContact N-O 3.11Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-L167 PolarHBondContact O-N 2.82Å; D165-T204 WeakPolarHBondContact CA-OG1 3.47Å; D165-T204 VanDerWaalsContact CG-OG1 3.3Å; D165-T204 WeakPolarHBondContact OD1-CB 3.48Å; D165-T204 WeakPolarHBondContact OD1-CG2 3.41Å; D165-T204 PolarHBondContact OD1-OG1 2.72Å
166S85.8Confident62.8Low25 Ų2545.9 Ų45.918%0.17531%0.307CS..THydrogen-bonded Turntrans59.140.6174.6-61.70000113.5C73 H168 T204C73-S166 WeakPolarHBondContact CB-O 3.49Å; C73-S166 VanDerWaalsContact O-CB 3.31Å; C73-S166 WeakPolarHBondContact O-CB 3.33Å; S166-H168 PolarHBondContact O-CD2 3.34Å; S166-H168 PolarHBondContact O-N 3.32Å; S166-T204 PolarHBondContact N-O 3.1Å; S166-T204 PolarHBondContact N-OG1 2.74Å
167L84.6Confident61.8Low1 Ų146.1 Ų46.11%0.00531%0.31CS..  trans-69.4122.1179.2-170.760.2000110.6I164 D165 I184 L185 C203 T204 S205 I212 F216I164-L167 HydrophobicContact CG2-CB 4.36Å; I164-L167 HydrophobicContact CG2-CD1 4.09Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-L167 PolarHBondContact O-N 2.82Å; L167-I184 HydrophobicContact CD1-CB 4.13Å; L167-I184 HydrophobicContact CD1-CG2 3.81Å; L167-L185 HydrophobicContact CD1-CB 3.94Å; L167-L185 HydrophobicContact CD2-CD1 3.97Å; L167-L185 HydrophobicContact CG-CB 4.1Å; L167-L185 HydrophobicContact CG-CD1 4.22Å; L167-C203 HydrophobicContact CD2-CB 4.21Å; L167-T204 PolarHBondContact N-O 3.44Å; L167-S205 WeakPolarHBondContact O-CB 3.35Å; L167-S205 PolarHBondContact O-OG 3.42Å; L167-I212 HydrophobicContact CB-CD1 4.1Å; L167-I212 HydrophobicContact CD2-CD1 4.31Å; L167-I212 HydrophobicContact CG-CD1 4.07Å; L167-I212 WeakPolarHBondContact O-CD1 3.19Å; L167-F216 HydrophobicContact CD2-CE2 3.85Å; L167-F216 HydrophobicContact CD2-CZ 4.25Å
168H75.5Confident60.7Low35 Ų3549.5 Ų49.516%0.16233%0.329CS..  trans-143.1153.7-173.5-69.7-46.2000112.2S166 S205 R206S166-H168 PolarHBondContact O-CD2 3.34Å; S166-H168 PolarHBondContact O-N 3.32Å; H168-S205 PolarHBondContact CE1-OG 2.82Å; H168-S205 PolarHBondContact ND1-OG 3.48Å; H168-R206 WeakPolarHBondContact CE1-CD 3.45Å; H168-R206 WeakPolarHBondContact CE1-CG 3.26Å; H168-R206 PolarHBondContact CE1-N 3.5Å; H168-R206 WeakPolarHBondContact NE2-CD 3.46Å; H168-R206 PolarHBondContact NE2-NE 3.11Å
169D64.1Low60Low49 Ų4953.3 Ų53.326%0.26235%0.35SS..SBendtrans-74.4154155.8-129.2-46.2000108.8C171 L185 C211 R215D169-C171 PolarHBondContact O-N 3.42Å; D169-C171 PolarHBondContact O-SG 2.52Å; D169-C171 VanDerWaalsContact O-SG 3.33Å; D169-L185 HydrophobicContact CB-CD2 4.4Å; D169-C211 HydrophobicContact CB-CB 4.32Å; D169-C211 PolarHBondContact OD2-SG 2.99Å; D169-C211 VanDerWaalsContact OD2-SG 3.38Å; D169-R215 IonicContact OD2-CZ 3.08Å; D169-R215 IonicContact OD2-NH1 3.81Å; D169-R215 PolarHBondContact OD2-NH1 3.09Å; D169-R215 IonicContact OD2-NH2 2.74Å; D169-R215 PolarHBondContact OD2-NH2 3.17Å
170R57.3Low59.1Low157 Ų15755 Ų5559%0.59237%0.369SS*.  trans-57131.3-170.7-82.2-174.1170.8-175.8-0.5111.9F181R170-F181 VanDerWaalsContact NH1-CD2 3.29Å; R170-F181 VanDerWaalsContact NH2-CD1 3.34Å
171C39.6Very low58Low90 Ų9057 Ų5761%0.60838%0.378SS*.  trans-98.5-1.4-172.9-58.50000115.5D169D169-C171 PolarHBondContact O-N 3.42Å; D169-C171 PolarHBondContact O-SG 2.52Å; D169-C171 VanDerWaalsContact O-SG 3.33Å
172D33Very low57.2Low103 Ų10359.2 Ų59.255%0.55139%0.391SS*.SBendtrans-75.9122.7163.4-85.9-45.5000108.3G174 K401D172-G174 PolarHBondContact O-N 2.88Å; D172-K401 IonicContact OD1-NZ 2.86Å; D172-K401 PolarHBondContact OD1-NZ 2.83Å; D172-K401 IonicContact OD2-NZ 3.76Å; D172-K401 PolarHBondContact OD2-NZ 3.09Å
173G28.5Very low56.7Low89 Ų8959.8 Ų59.892%0.91840%0.395SS*.  trans-72.843.3-170.400000116.3
174G26.8Very low56.4Low51 Ų5160.1 Ų60.153%0.52640%0.397SS..SBendtrans-69.1163.9164.600000111.8D172 S176D172-G174 PolarHBondContact O-N 2.88Å; G174-S176 PolarHBondContact O-N 2.9Å
175P26.3Very low56.2Low121 Ų12160.1 Ų60.179%0.78640%0.397SS*.  trans-60.6124.9-179.925.3-33.9000111.2G177P175-G177 PolarHBondContact O-N 2.97Å
176S25.9Very low55.9Low133 Ų13362.3 Ų62.393%0.9341%0.409SS*.SBendtrans-75.586.2-178.958.60000111.5G174G174-S176 PolarHBondContact O-N 2.9Å
177G27.8Very low56Low68 Ų6861.1 Ų61.170%0.70140%0.401SS*.SBendtrans132.888.3166.100000115.4P175P175-G177 PolarHBondContact O-N 2.97Å
178T31.5Very low56.2Low78 Ų7861.1 Ų61.148%0.47940%0.4SS..SBendtrans-166.3-45.6152.422.80000110.5
179D42.5Very low56.8Low84 Ų8460.8 Ų60.845%0.44940%0.404SS..SBendtrans-64.5131.1-175.4-78-16.6000113.3F181D179-F181 HydrophobicContact CB-CD2 4.01Å; D179-F181 PolarHBondContact O-N 2.98Å
180G49.7Very low57.9Low49 Ų4964.7 Ų64.751%0.50542%0.415SS..  trans-72.929.2-176.200000116.9V182G180-V182 PolarHBondContact O-N 2.86Å
181F61.9Low59.4Low59 Ų5957.7 Ų57.726%0.25939%0.389SS..  trans-82.1110.9177.1-75.3-74.1000111.7R170 D179 S183 P463 C465R170-F181 VanDerWaalsContact NH1-CD2 3.29Å; R170-F181 VanDerWaalsContact NH2-CD1 3.34Å; D179-F181 HydrophobicContact CB-CD2 4.01Å; D179-F181 PolarHBondContact O-N 2.98Å; F181-S183 PolarHBondContact O-N 2.68Å; F181-P463 HydrophobicContact CE1-CG 4.31Å; F181-P463 WeakPolarHBondContact CE1-O 3.42Å; F181-P463 HydrophobicContact CE2-CB 4.47Å; F181-P463 HydrophobicContact CZ-CB 3.87Å; F181-P463 HydrophobicContact CZ-CG 3.93Å; F181-P463 WeakPolarHBondContact CZ-O 3.42Å; F181-C465 WeakPolarHBondContact CE2-O 3.32Å; F181-C465 VanDerWaalsContact CZ-O 3.23Å; F181-C465 WeakPolarHBondContact CZ-O 3.32Å
182V72.5Confident61.5Low47 Ų4755 Ų5529%0.28537%0.367SS..  trans-74.1118.5173.2-176.30000109.7P132 V133 G180 D186 L187P132-V182 HydrophobicContact CG-CB 4.33Å; V133-V182 HydrophobicContact CG2-CB 4.5Å; V133-V182 HydrophobicContact CG2-CG1 4.16Å; V133-V182 HydrophobicContact CG2-CG2 3.92Å; G180-V182 PolarHBondContact O-N 2.86Å; V182-D186 HydrophobicContact CG1-CB 4.08Å; V182-L187 HydrophobicContact CG1-CB 3.98Å; V182-L187 HydrophobicContact CG1-CD1 4.4Å
183S81.3Confident63.9Low13 Ų1354.8 Ų54.89%0.09138%0.379CS..  trans-74.2159.2173.778.90000111.5F181 L185 D186 L187F181-S183 PolarHBondContact O-N 2.68Å; S183-L185 PolarHBondContact O-N 3.17Å; S183-L185 WeakPolarHBondContact OG-CB 3.37Å; S183-L185 PolarHBondContact OG-N 3.3Å; S183-D186 PolarHBondContact O-N 3.28Å; S183-D186 PolarHBondContact OG-N 3.24Å; S183-D186 PolarHBondContact OG-OD2 2.9Å; S183-L187 WeakPolarHBondContact O-CB 3.49Å; S183-L187 PolarHBondContact O-N 3.08Å
184I87.1Confident66.5Low8 Ų855.3 Ų55.34%0.04136%0.358CS..Hα-helixtrans-59.3-32.8172.8-63.4170.6000110.7Y71 F86 I164 L167 W188Y71-I184 HydrophobicContact CD1-CD1 4.44Å; Y71-I184 HydrophobicContact CE1-CD1 3.72Å; F86-I184 HydrophobicContact CB-CD1 3.91Å; F86-I184 HydrophobicContact CB-CG1 4Å; F86-I184 HydrophobicContact CD1-CG1 4.44Å; F86-I184 HydrophobicContact CD1-CG2 3.86Å; F86-I184 HydrophobicContact CD2-CG2 4.1Å; F86-I184 HydrophobicContact CE1-CG2 3.98Å; F86-I184 HydrophobicContact CE2-CG2 4.23Å; F86-I184 HydrophobicContact CG-CD1 4.33Å; F86-I184 HydrophobicContact CG-CG1 4.23Å; F86-I184 HydrophobicContact CG-CG2 3.91Å; F86-I184 HydrophobicContact CZ-CG2 4.16Å; I164-I184 HydrophobicContact CG2-CG2 4.46Å; L167-I184 HydrophobicContact CD1-CB 4.13Å; L167-I184 HydrophobicContact CD1-CG2 3.81Å; I184-W188 WeakPolarHBondContact O-CB 3.26Å; I184-W188 PolarHBondContact O-N 3.47Å
185L87.3Confident69.3Low0 Ų053.8 Ų53.80%034%0.338CS..Hα-helixtrans-64-47.6175.1169.760.4000111.8L167 D169 S183 A189 C211 I212 R215 F216L167-L185 HydrophobicContact CD1-CB 3.94Å; L167-L185 HydrophobicContact CD2-CD1 3.97Å; L167-L185 HydrophobicContact CG-CB 4.1Å; L167-L185 HydrophobicContact CG-CD1 4.22Å; D169-L185 HydrophobicContact CB-CD2 4.4Å; S183-L185 PolarHBondContact O-N 3.17Å; S183-L185 WeakPolarHBondContact OG-CB 3.37Å; S183-L185 PolarHBondContact OG-N 3.3Å; L185-A189 VanDerWaalsContact O-CB 3.24Å; L185-A189 WeakPolarHBondContact O-CB 3.38Å; L185-A189 PolarHBondContact O-N 3.1Å; L185-C211 HydrophobicContact CD2-CB 4.21Å; L185-I212 HydrophobicContact CD1-CD1 4.19Å; L185-I212 HydrophobicContact CD1-CG1 3.53Å; L185-I212 HydrophobicContact CD2-CD1 4.49Å; L185-I212 HydrophobicContact CD2-CG1 3.92Å; L185-I212 HydrophobicContact CG-CG1 4.4Å; L185-R215 HydrophobicContact CD1-CB 4.41Å; L185-F216 HydrophobicContact CD1-CD2 4.22Å; L185-F216 HydrophobicContact CD1-CE2 3.41Å; L185-F216 VanDerWaalsContact CD1-CE2 3.41Å; L185-F216 HydrophobicContact CD1-CZ 4.01Å
186D84.4Confident71.9Confident49 Ų4948.5 Ų48.526%0.26230%0.303SS..Hα-helixtrans-66.7-41.2176.6-70.2-62.8000112.2V182 S183 A189 R190 R215V182-D186 HydrophobicContact CG1-CB 4.08Å; S183-D186 PolarHBondContact O-N 3.28Å; S183-D186 PolarHBondContact OG-N 3.24Å; S183-D186 PolarHBondContact OG-OD2 2.9Å; D186-A189 PolarHBondContact O-N 3.24Å; D186-R190 WeakPolarHBondContact O-CB 3.25Å; D186-R190 PolarHBondContact O-N 2.95Å; D186-R215 VanDerWaalsContact CG-NH2 3.26Å; D186-R215 IonicContact OD1-CZ 2.8Å; D186-R215 IonicContact OD1-NE 3.66Å; D186-R215 PolarHBondContact OD1-NE 3.37Å; D186-R215 IonicContact OD1-NH2 3.87Å; D186-R215 PolarHBondContact OD1-NH2 3.23Å; D186-R215 IonicContact OD2-CZ 2.98Å; D186-R215 IonicContact OD2-NH2 3.39Å; D186-R215 PolarHBondContact OD2-NH2 3.03Å; D186-R215 VanDerWaalsContact OD2-NH2 3.09Å
187L87.8Confident74.4Confident0 Ų047.9 Ų47.90%030%0.296CS..Hα-helixtrans-61.5-49.2179.6-17362.2000111.2A83 F86 V87 P132 V133 F136 V182 S183 R190 F191A83-L187 HydrophobicContact CB-CD2 4.26Å; F86-L187 HydrophobicContact CD1-CD2 4.07Å; F86-L187 HydrophobicContact CE1-CD2 4.46Å; V87-L187 HydrophobicContact CG2-CD2 3.86Å; P132-L187 HydrophobicContact CB-CD2 4.27Å; P132-L187 WeakPolarHBondContact O-CD1 3.21Å; V133-L187 HydrophobicContact CB-CD1 4.41Å; V133-L187 HydrophobicContact CG2-CD1 4.02Å; F136-L187 HydrophobicContact CB-CD1 3.8Å; F136-L187 HydrophobicContact CB-CD2 4.18Å; F136-L187 HydrophobicContact CB-CG 4.13Å; F136-L187 HydrophobicContact CD2-CD2 3.93Å; F136-L187 HydrophobicContact CD2-CG 3.94Å; F136-L187 HydrophobicContact CG-CD1 4.23Å; F136-L187 HydrophobicContact CG-CD2 4.37Å; F136-L187 HydrophobicContact CG-CG 4.14Å; V182-L187 HydrophobicContact CG1-CB 3.98Å; V182-L187 HydrophobicContact CG1-CD1 4.4Å; S183-L187 WeakPolarHBondContact O-CB 3.49Å; S183-L187 PolarHBondContact O-N 3.08Å; L187-R190 PolarHBondContact O-N 3.46Å; L187-F191 HydrophobicContact CD1-CD2 4.01Å; L187-F191 HydrophobicContact CD1-CE2 3.84Å; L187-F191 WeakPolarHBondContact O-CD2 3.5Å; L187-F191 PolarHBondContact O-N 3.24Å
188W89.2Confident76.9Confident1 Ų146 Ų460%0.00427%0.268CS..Hα-helixtrans-66.3-43.3178.6-163.7-96.6000112.1F86 L90 F136 V162 I164 I184 R190 F191 Q192 L195 T201 F216F86-W188 AromaticContact CE1-CE3 3.91Å; F86-W188 HydrophobicContact CE1-CE3 3.91Å; F86-W188 HydrophobicContact CE1-CZ3 4.37Å; F86-W188 AromaticContact CZ-CE3 3.56Å; F86-W188 HydrophobicContact CZ-CE3 3.56Å; F86-W188 AromaticContact CZ-CZ3 3.81Å; F86-W188 HydrophobicContact CZ-CZ3 3.81Å; L90-W188 HydrophobicContact CD2-CH2 4.39Å; L90-W188 HydrophobicContact CD2-CZ3 3.66Å; F136-W188 AromaticContact CE2-CE3 3.66Å; F136-W188 HydrophobicContact CE2-CE3 3.66Å; F136-W188 AromaticContact CE2-CZ3 3.74Å; F136-W188 HydrophobicContact CE2-CZ3 3.74Å; F136-W188 AromaticContact CZ-CE3 3.63Å; F136-W188 HydrophobicContact CZ-CE3 3.63Å; F136-W188 AromaticContact CZ-CZ3 3.62Å; F136-W188 HydrophobicContact CZ-CZ3 3.62Å; V162-W188 HydrophobicContact CB-CH2 3.95Å; V162-W188 HydrophobicContact CB-CZ2 4.28Å; V162-W188 HydrophobicContact CG1-CH2 3.71Å; V162-W188 HydrophobicContact CG1-CZ2 4.27Å; V162-W188 HydrophobicContact CG1-CZ3 4.35Å; V162-W188 HydrophobicContact CG2-CH2 4.34Å; I164-W188 HydrophobicContact CD1-CD2 3.76Å; I164-W188 HydrophobicContact CD1-CE3 3.9Å; I164-W188 HydrophobicContact CD1-CG 4.07Å; I164-W188 HydrophobicContact CD1-CZ3 4.36Å; I184-W188 WeakPolarHBondContact O-CB 3.26Å; I184-W188 PolarHBondContact O-N 3.47Å; W188-R190 PolarHBondContact O-N 2.94Å; W188-F191 PolarHBondContact O-N 3.18Å; W188-Q192 WeakPolarHBondContact O-CB 3.42Å; W188-Q192 PolarHBondContact O-N 3.37Å; W188-L195 HydrophobicContact CD2-CD1 4.5Å; W188-L195 HydrophobicContact CH2-CD1 4.01Å; W188-L195 HydrophobicContact CZ2-CD1 3.68Å; W188-T201 HydrophobicContact CZ2-CG2 4.09Å; W188-T201 PolarHBondContact NE1-OG1 3.17Å; W188-T201 VanDerWaalsContact NE1-OG1 3.07Å; W188-F216 AromaticContact CD1-CE1 3.94Å; W188-F216 AromaticContact CD1-CZ 3.94Å
189A87.4Confident79.5Confident28 Ų2842.8 Ų42.823%0.23125%0.248CC..Hα-helixtrans-62.1-42.517800000112.2L185 D186 F191 Q192 R215 F216L185-A189 VanDerWaalsContact O-CB 3.24Å; L185-A189 WeakPolarHBondContact O-CB 3.38Å; L185-A189 PolarHBondContact O-N 3.1Å; D186-A189 PolarHBondContact O-N 3.24Å; A189-F191 VanDerWaalsContact C-N 3.32Å; A189-F191 PolarHBondContact O-N 3.46Å; A189-Q192 WeakPolarHBondContact O-CB 3.24Å; A189-Q192 PolarHBondContact O-N 3.38Å; A189-R215 HydrophobicContact CB-CB 4.23Å; A189-F216 HydrophobicContact CB-CE1 4.33Å; A189-F216 HydrophobicContact CB-CZ 4.45Å
190R87.9Confident81.7Confident131 Ų13138.8 Ų38.849%0.49423%0.226SC..Hα-helixtrans-60.8-36.9179.4-178.2173.8-179.3167.1-0.3113D186 L187 W188D186-R190 WeakPolarHBondContact O-CB 3.25Å; D186-R190 PolarHBondContact O-N 2.95Å; L187-R190 PolarHBondContact O-N 3.46Å; W188-R190 PolarHBondContact O-N 2.94Å
191F88.7Confident83.7Confident9 Ų936.6 Ų36.64%0.03920%0.203CC..Hα-helixtrans-96.4-3.8-179.7-73.1-75.7000114.5V133 F136 R137 A141 L187 W188 A189 A193 Q194 L195V133-F191 HydrophobicContact CB-CE2 4.46Å; V133-F191 HydrophobicContact CG1-CE2 3.83Å; V133-F191 HydrophobicContact CG1-CZ 3.78Å; V133-F191 WeakPolarHBondContact O-CE2 3.38Å; V133-F191 VanDerWaalsContact O-CZ 3.24Å; V133-F191 WeakPolarHBondContact O-CZ 3.43Å; F136-F191 HydrophobicContact CB-CD2 4.13Å; F136-F191 HydrophobicContact CB-CE2 3.96Å; F136-F191 HydrophobicContact CD1-CB 3.72Å; F136-F191 HydrophobicContact CD1-CD1 4.14Å; F136-F191 AromaticContact CD1-CD2 3.33Å; F136-F191 HydrophobicContact CD1-CD2 3.33Å; F136-F191 AromaticContact CD1-CE2 3.94Å; F136-F191 HydrophobicContact CD1-CE2 3.94Å; F136-F191 AromaticContact CD1-CG 3.45Å; F136-F191 HydrophobicContact CD1-CG 3.45Å; F136-F191 VanDerWaalsContact CD1-CG 3.45Å; F136-F191 HydrophobicContact CE1-CB 3.43Å; F136-F191 VanDerWaalsContact CE1-CB 3.43Å; F136-F191 AromaticContact CE1-CD2 3.97Å; F136-F191 HydrophobicContact CE1-CD2 3.97Å; F136-F191 AromaticContact CE1-CG 3.75Å; F136-F191 HydrophobicContact CE1-CG 3.75Å; F136-F191 AromaticContact CG-CD2 3.9Å; F136-F191 HydrophobicContact CG-CD2 3.9Å; F136-F191 HydrophobicContact CG-CE2 4.26Å; F136-F191 HydrophobicContact CG-CG 4.44Å; F136-F191 HydrophobicContact CZ-CB 4.36Å; R137-F191 HydrophobicContact CB-CE1 3.87Å; R137-F191 HydrophobicContact CB-CZ 3.87Å; R137-F191 HydrophobicContact CG-CE1 4.32Å; A141-F191 HydrophobicContact CB-CD1 3.83Å; A141-F191 HydrophobicContact CB-CE1 4.37Å; A141-F191 HydrophobicContact CB-CG 4.42Å; L187-F191 HydrophobicContact CD1-CD2 4.01Å; L187-F191 HydrophobicContact CD1-CE2 3.84Å; L187-F191 WeakPolarHBondContact O-CD2 3.5Å; L187-F191 PolarHBondContact O-N 3.24Å; W188-F191 PolarHBondContact O-N 3.18Å; A189-F191 VanDerWaalsContact C-N 3.32Å; A189-F191 PolarHBondContact O-N 3.46Å; F191-A193 PolarHBondContact O-N 3.16Å; F191-Q194 PolarHBondContact O-N 2.84Å; F191-L195 PolarHBondContact O-N 3.44Å
192Q84.2Confident85.2Confident34 Ų3433.9 Ų33.916%0.15919%0.191CC..THydrogen-bonded Turntrans-57.7-24.3-174.7-157.3-127.3-7000114.4W188 A189 F219W188-Q192 WeakPolarHBondContact O-CB 3.42Å; W188-Q192 PolarHBondContact O-N 3.37Å; A189-Q192 WeakPolarHBondContact O-CB 3.24Å; A189-Q192 PolarHBondContact O-N 3.38Å; Q192-F219 HydrophobicContact CG-CE1 4.35Å; Q192-F219 HydrophobicContact CG-CZ 4.11Å
193A82.5Confident86.1Confident98 Ų9831.7 Ų31.781%0.8118%0.178SC*.THydrogen-bonded Turntrans-86-15.217600000114.3F191F191-A193 PolarHBondContact O-N 3.16Å
194Q84.3Confident86.6Confident101 Ų10131.2 Ų31.247%0.47217%0.174SC..THydrogen-bonded Turntrans-97.8-14.9177.1-61-1764.600112.7S145 F191S145-Q194 WeakPolarHBondContact CB-O 3.4Å; F191-Q194 PolarHBondContact O-N 2.84Å
195L84.6Confident86.7Confident19 Ų1930.9 Ų30.910%0.09917%0.173CC..SBendtrans-69.5147.5174.1-66.9177.5000111.2F136 L144 W188 F191 L199F136-L195 HydrophobicContact CE1-CD2 4.28Å; F136-L195 HydrophobicContact CZ-CD2 4.42Å; L144-L195 HydrophobicContact CD1-CD2 4.27Å; W188-L195 HydrophobicContact CD2-CD1 4.5Å; W188-L195 HydrophobicContact CH2-CD1 4.01Å; W188-L195 HydrophobicContact CZ2-CD1 3.68Å; F191-L195 PolarHBondContact O-N 3.44Å; L195-L199 HydrophobicContact CB-CD2 4.3Å; L195-L199 HydrophobicContact CD1-CD2 4.28Å; L195-L199 HydrophobicContact CD2-CD2 4.13Å; L195-L199 HydrophobicContact CG-CD2 4.47Å
196P81.5Confident86.6Confident9 Ų932.9 Ų32.96%0.05818%0.181CC..  trans-60.2146.7-178.9-21.630.5000113.6L144 W198 L199L144-P196 HydrophobicContact CB-CG 4.06Å; L144-P196 VanDerWaalsContact O-CG 3.28Å; L144-P196 WeakPolarHBondContact O-CG 3.27Å; P196-W198 HydrophobicContact CB-CD2 3.8Å; P196-W198 VanDerWaalsContact CB-CE2 3.43Å; P196-W198 HydrophobicContact CB-CG 3.88Å; P196-W198 HydrophobicContact CB-CZ2 4.01Å; P196-W198 VanDerWaalsContact CB-NE1 3.28Å; P196-W198 HydrophobicContact CG-CD2 4.38Å; P196-W198 HydrophobicContact CG-CH2 4.42Å; P196-W198 HydrophobicContact CG-CZ2 3.71Å; P196-W198 PolarHBondContact O-N 2.88Å; P196-W198 VanDerWaalsContact O-N 3.15Å; P196-L199 HydrophobicContact CB-CB 4.49Å; P196-L199 WeakPolarHBondContact O-CB 3Å; P196-L199 PolarHBondContact O-N 3.25Å
197P78.2Confident86.4Confident120 Ų12036.8 Ų36.878%0.77919%0.191SC*.THydrogen-bonded Turntrans-65.3-18176.327.8-35.4000113.6C158 L199C158-P197 PolarHBondContact SG-O 3.5Å; C158-P197 VanDerWaalsContact SG-O 3.41Å; P197-L199 VanDerWaalsContact C-N 3.28Å; P197-L199 PolarHBondContact O-N 3.22Å
198W80.9Confident85.9Confident30 Ų3043.9 Ų43.911%0.11423%0.225CC..THydrogen-bonded Turntrans-77.4-9.9173.958.8-110.2000113.9L68 V105 L144 V147 V149 C158 S159 F160 P196L68-W198 HydrophobicContact CD1-CH2 4.34Å; L68-W198 HydrophobicContact CD1-CZ3 3.79Å; V105-W198 HydrophobicContact CG1-CH2 4.29Å; L144-W198 HydrophobicContact CD2-CH2 4.16Å; V147-W198 HydrophobicContact CB-CZ2 4.48Å; V147-W198 HydrophobicContact CG1-CZ2 4.28Å; V147-W198 PolarHBondContact O-NE1 3.01Å; V149-W198 HydrophobicContact CG2-CD2 3.58Å; V149-W198 HydrophobicContact CG2-CE3 3.99Å; V149-W198 HydrophobicContact CG2-CG 3.89Å; V149-W198 HydrophobicContact CG2-CH2 4.4Å; V149-W198 HydrophobicContact CG2-CZ2 4.01Å; V149-W198 HydrophobicContact CG2-CZ3 4.38Å; C158-W198 WeakPolarHBondContact CA-O 3.46Å; C158-W198 WeakPolarHBondContact CB-O 3.29Å; S159-W198 PolarHBondContact N-O 3.32Å; F160-W198 HydrophobicContact CB-CE3 4.4Å; F160-W198 HydrophobicContact CB-CZ3 4.32Å; P196-W198 HydrophobicContact CB-CD2 3.8Å; P196-W198 VanDerWaalsContact CB-CE2 3.43Å; P196-W198 HydrophobicContact CB-CG 3.88Å; P196-W198 HydrophobicContact CB-CZ2 4.01Å; P196-W198 VanDerWaalsContact CB-NE1 3.28Å; P196-W198 HydrophobicContact CG-CD2 4.38Å; P196-W198 HydrophobicContact CG-CH2 4.42Å; P196-W198 HydrophobicContact CG-CZ2 3.71Å; P196-W198 PolarHBondContact O-N 2.88Å; P196-W198 VanDerWaalsContact O-N 3.15Å
199L85.9Confident85.3Confident10 Ų1045 Ų455%0.05223%0.232CC..EExtended strand (participates in β ladder)trans-99.8104.2-174.1-174.568.5000111.7L68 L144 V162 L195 P196 P197L68-L199 HydrophobicContact CD1-CD1 4.02Å; L144-L199 HydrophobicContact CD1-CD2 4.14Å; V162-L199 HydrophobicContact CG2-CD1 4.17Å; L195-L199 HydrophobicContact CB-CD2 4.3Å; L195-L199 HydrophobicContact CD1-CD2 4.28Å; L195-L199 HydrophobicContact CD2-CD2 4.13Å; L195-L199 HydrophobicContact CG-CD2 4.47Å; P196-L199 HydrophobicContact CB-CB 4.49Å; P196-L199 WeakPolarHBondContact O-CB 3Å; P196-L199 PolarHBondContact O-N 3.25Å; P197-L199 VanDerWaalsContact C-N 3.28Å; P197-L199 PolarHBondContact O-N 3.22Å
200F88.2Confident84.6Confident0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-78.6144.8175.1179.5-79000111.4C25 L26 T30 V33 C158 F160 F161 V162 L202C25-F200 HydrophobicContact CB-CE2 3.94Å; C25-F200 HydrophobicContact CB-CZ 4.17Å; L26-F200 HydrophobicContact CB-CD2 4.04Å; L26-F200 HydrophobicContact CB-CE2 4.13Å; L26-F200 HydrophobicContact CB-CG 4.41Å; L26-F200 HydrophobicContact CD1-CB 4.01Å; L26-F200 HydrophobicContact CD1-CD1 4.19Å; L26-F200 HydrophobicContact CD1-CD2 4.47Å; L26-F200 HydrophobicContact CD1-CG 4.02Å; L26-F200 HydrophobicContact CG-CB 4.4Å; L26-F200 HydrophobicContact CG-CD2 4.38Å; L26-F200 HydrophobicContact CG-CG 4.38Å; T30-F200 WeakPolarHBondContact O-CD2 3.47Å; V33-F200 HydrophobicContact CB-CE1 4.23Å; V33-F200 HydrophobicContact CB-CZ 3.75Å; V33-F200 HydrophobicContact CG2-CE2 4.26Å; V33-F200 HydrophobicContact CG2-CZ 3.57Å; C158-F200 HydrophobicContact CB-CB 3.8Å; F160-F200 PolarHBondContact O-N 2.73Å; F161-F200 WeakPolarHBondContact CA-O 3.36Å; F161-F200 HydrophobicContact CB-CB 3.86Å; F161-F200 HydrophobicContact CB-CD1 3.71Å; F161-F200 HydrophobicContact CB-CG 4.23Å; F161-F200 VanDerWaalsContact CB-O 3.26Å; F161-F200 WeakPolarHBondContact CB-O 3.38Å; F161-F200 HydrophobicContact CG-CD1 4.45Å; V162-F200 PolarHBondContact N-O 3.26Å; F200-L202 HydrophobicContact CD1-CB 4.49Å; F200-L202 HydrophobicContact CE1-CB 4.07Å
201T91.3Very high83.9Confident3 Ų347.9 Ų47.92%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-107.1128.1171.4-53.40000111.5K31 G32 V33 W188 C203 F219K31-T201 PolarHBondContact O-N 3.38Å; K31-T201 VanDerWaalsContact O-N 3.15Å; G32-T201 CarbonylContact C-O 3.58Å; G32-T201 WeakPolarHBondContact CA-O 3.45Å; V33-T201 PolarHBondContact N-O 2.9Å; W188-T201 HydrophobicContact CZ2-CG2 4.09Å; W188-T201 PolarHBondContact NE1-OG1 3.17Å; W188-T201 VanDerWaalsContact NE1-OG1 3.07Å; T201-C203 WeakPolarHBondContact CG2-SG 3.3Å; T201-F219 HydrophobicContact CG2-CE2 3.77Å; T201-F219 HydrophobicContact CG2-CZ 4.14Å
202L93.2Very high83.4Confident2 Ų247.9 Ų47.91%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-109.6102.3168.7-17959000110.5I22 V33 V35 I50 F161 V162 M163 I164 F200I22-L202 HydrophobicContact CD1-CD1 3.96Å; I22-L202 HydrophobicContact CD1-CD2 3.94Å; I22-L202 HydrophobicContact CG1-CD1 4.14Å; I22-L202 HydrophobicContact CG2-CD2 4.23Å; V33-L202 HydrophobicContact CB-CD1 4.02Å; V33-L202 HydrophobicContact CG1-CD1 3.73Å; V35-L202 HydrophobicContact CG2-CD1 3.9Å; I50-L202 HydrophobicContact CD1-CD2 4.1Å; F161-L202 HydrophobicContact CD2-CB 4.02Å; F161-L202 HydrophobicContact CD2-CD2 4.38Å; F161-L202 HydrophobicContact CE2-CB 4.41Å; F161-L202 HydrophobicContact CE2-CD2 3.94Å; V162-L202 PolarHBondContact O-N 3.04Å; M163-L202 CarbonylContact C-O 3.56Å; M163-L202 VanDerWaalsContact CA-O 3.26Å; M163-L202 WeakPolarHBondContact CA-O 3.49Å; M163-L202 HydrophobicContact CB-CB 4.33Å; M163-L202 HydrophobicContact CG-CB 4.09Å; M163-L202 HydrophobicContact CG-CD2 3.9Å; M163-L202 HydrophobicContact CG-CG 3.97Å; M163-L202 HydrophobicContact SD-CD2 3.72Å; M163-L202 HydrophobicContact SD-CG 4.4Å; I164-L202 PolarHBondContact N-O 3.33Å; F200-L202 HydrophobicContact CD1-CB 4.49Å; F200-L202 HydrophobicContact CE1-CB 4.07Å
203C92.6Very high82.7Confident0 Ų049 Ų490%026%0.264CS..EExtended strand (participates in β ladder)trans-102.1146.4174.9-68.10000111.3V33 V34 V35 I164 L167 T201V33-C203 PolarHBondContact O-N 3.26Å; V34-C203 CarbonylContact C-O 3.54Å; V34-C203 WeakPolarHBondContact CA-O 3.42Å; V35-C203 PolarHBondContact N-O 3.02Å; I164-C203 CarbonylContact O-C 3.24Å; I164-C203 WeakPolarHBondContact O-CA 3.23Å; L167-C203 HydrophobicContact CD2-CB 4.21Å; T201-C203 WeakPolarHBondContact CG2-SG 3.3Å
204T92.2Very high82.4Confident3 Ų354 Ų542%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-112.7150.8162.688.90000111.3V35 K43 C47 I164 D165 S166 L167V35-T204 HydrophobicContact CB-CG2 4.28Å; V35-T204 CarbonylContact O-C 3.57Å; V35-T204 VanDerWaalsContact O-CA 3.26Å; V35-T204 WeakPolarHBondContact O-CA 3.38Å; K43-T204 HydrophobicContact CB-CG2 4.5Å; C47-T204 WeakPolarHBondContact SG-CG2 3.42Å; I164-T204 PolarHBondContact O-N 2.96Å; D165-T204 WeakPolarHBondContact CA-OG1 3.47Å; D165-T204 VanDerWaalsContact CG-OG1 3.3Å; D165-T204 WeakPolarHBondContact OD1-CB 3.48Å; D165-T204 WeakPolarHBondContact OD1-CG2 3.41Å; D165-T204 PolarHBondContact OD1-OG1 2.72Å; S166-T204 PolarHBondContact N-O 3.1Å; S166-T204 PolarHBondContact N-OG1 2.74Å; L167-T204 PolarHBondContact N-O 3.44Å
205S89Confident82.1Confident1 Ų153 Ų531%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-157.8179.2173.6-160.50000113.1V35 I36 G37 K43 L167 H168 I212V35-S205 PolarHBondContact O-N 3.11Å; I36-S205 WeakPolarHBondContact CA-O 3.49Å; G37-S205 PolarHBondContact N-O 3.08Å; K43-S205 WeakPolarHBondContact CD-O 3.31Å; K43-S205 WeakPolarHBondContact CE-O 3.4Å; L167-S205 WeakPolarHBondContact O-CB 3.35Å; L167-S205 PolarHBondContact O-OG 3.42Å; H168-S205 PolarHBondContact CE1-OG 2.82Å; H168-S205 PolarHBondContact ND1-OG 3.48Å; S205-I212 WeakPolarHBondContact OG-CD1 3.47Å
206R84Confident81.9Confident43 Ų4352.4 Ų52.416%0.16225%0.25CS..EExtended strand (participates in β ladder)trans-87143.3176-66.8161.9-171.1-126.37109.5G37 H168 Q208 C209 E385G37-R206 WeakPolarHBondContact O-CA 2.91Å; H168-R206 WeakPolarHBondContact CE1-CD 3.45Å; H168-R206 WeakPolarHBondContact CE1-CG 3.26Å; H168-R206 PolarHBondContact CE1-N 3.5Å; H168-R206 WeakPolarHBondContact NE2-CD 3.46Å; H168-R206 PolarHBondContact NE2-NE 3.11Å; R206-Q208 PolarHBondContact O-N 2.84Å; R206-Q208 VanDerWaalsContact O-N 3.1Å; R206-C209 WeakPolarHBondContact O-CB 3.45Å; R206-C209 PolarHBondContact O-N 3.09Å; R206-E385 IonicContact CZ-OE1 3.25Å; R206-E385 IonicContact CZ-OE2 3.25Å; R206-E385 IonicContact NH1-OE1 3.73Å; R206-E385 PolarHBondContact NH1-OE1 2.95Å; R206-E385 IonicContact NH1-OE2 3.93Å; R206-E385 PolarHBondContact NH1-OE2 3.19Å; R206-E385 IonicContact NH2-OE1 2.62Å; R206-E385 PolarHBondContact NH2-OE1 3.03Å; R206-E385 IonicContact NH2-OE2 2.75Å
207R81.6Confident81.5Confident130 Ų13058.7 Ų58.749%0.49128%0.283SS..THydrogen-bonded Turntrans-54.8-29176.5-177166.3169.7-169.6-4.6114.2I36 G37 E38 D225I36-R207 HydrophobicContact CD1-CB 4.23Å; I36-R207 HydrophobicContact CD1-CG 4.08Å; G37-R207 PolarHBondContact O-N 3.04Å; E38-R207 IonicContact OE1-CZ 2.76Å; E38-R207 IonicContact OE1-NH1 2.86Å; E38-R207 PolarHBondContact OE1-NH1 2.63Å; E38-R207 VanDerWaalsContact OE1-NH1 3.12Å; R207-D225 WeakPolarHBondContact CD-OD2 3.04Å; R207-D225 IonicContact CZ-OD2 2.84Å; R207-D225 IonicContact NE-OD2 3.4Å; R207-D225 VanDerWaalsContact NH1-CG 3.33Å; R207-D225 PolarHBondContact NH1-O 2.76Å; R207-D225 IonicContact NH1-OD1 3.17Å; R207-D225 IonicContact NH1-OD2 2.89Å; R207-D225 PolarHBondContact NH1-OD2 3.13Å
208Q76.5Confident81.6Confident149 Ų14959.8 Ų59.870%0.69628%0.277SS*.THydrogen-bonded Turntrans-75.4-15.1178.5-65.3166.9-14.600114.5R206 K210R206-Q208 PolarHBondContact O-N 2.84Å; R206-Q208 VanDerWaalsContact O-N 3.1Å; Q208-K210 VanDerWaalsContact C-N 3.33Å; Q208-K210 PolarHBondContact O-N 3.26Å
209C76.1Confident81.9Confident25 Ų2559.1 Ų59.117%0.16928%0.275CS..  trans-77.375.5-172.1-166.60000112.4R206 C211 I212R206-C209 WeakPolarHBondContact O-CB 3.45Å; R206-C209 PolarHBondContact O-N 3.09Å; C209-C211 PolarHBondContact O-N 3.17Å; C209-I212 PolarHBondContact O-N 3.28Å; C209-I212 VanDerWaalsContact O-N 3.14Å
210K72.7Confident82.1Confident175 Ų17563.1 Ų63.176%0.76129%0.29SS*.Hα-helixtrans-50.7-34.1-178.6-64.6-172.7179.9-175.80113.3Q208 I212 A213Q208-K210 VanDerWaalsContact C-N 3.33Å; Q208-K210 PolarHBondContact O-N 3.26Å; K210-I212 VanDerWaalsContact C-N 3.3Å; K210-I212 PolarHBondContact O-N 3.24Å; K210-A213 PolarHBondContact O-N 2.86Å
211C74.2Confident82.1Confident44 Ų4469.2 Ų69.230%0.29732%0.316SS..Hα-helixtrans-54.3-37.5179.2-76.90000114.7D169 L185 C209 R214 R215D169-C211 HydrophobicContact CB-CB 4.32Å; D169-C211 PolarHBondContact OD2-SG 2.99Å; D169-C211 VanDerWaalsContact OD2-SG 3.38Å; L185-C211 HydrophobicContact CD2-CB 4.21Å; C209-C211 PolarHBondContact O-N 3.17Å; C211-R214 PolarHBondContact O-N 2.9Å; C211-R215 PolarHBondContact O-N 2.94Å; C211-R215 VanDerWaalsContact O-N 3.14Å
212I77Confident82Confident10 Ų1069.3 Ų69.35%0.05132%0.316CS..Hα-helixtrans-74.6-31.4-176.8-92.9169.3000112.8V34 L167 L185 S205 C209 K210 R214 R215 F216V34-I212 HydrophobicContact CG1-CG2 3.71Å; V34-I212 HydrophobicContact CG2-CG2 4.34Å; L167-I212 HydrophobicContact CB-CD1 4.1Å; L167-I212 HydrophobicContact CD2-CD1 4.31Å; L167-I212 HydrophobicContact CG-CD1 4.07Å; L167-I212 WeakPolarHBondContact O-CD1 3.19Å; L185-I212 HydrophobicContact CD1-CD1 4.19Å; L185-I212 HydrophobicContact CD1-CG1 3.53Å; L185-I212 HydrophobicContact CD2-CD1 4.49Å; L185-I212 HydrophobicContact CD2-CG1 3.92Å; L185-I212 HydrophobicContact CG-CG1 4.4Å; S205-I212 WeakPolarHBondContact OG-CD1 3.47Å; C209-I212 PolarHBondContact O-N 3.28Å; C209-I212 VanDerWaalsContact O-N 3.14Å; K210-I212 VanDerWaalsContact C-N 3.3Å; K210-I212 PolarHBondContact O-N 3.24Å; I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 3.41Å; I212-R215 PolarHBondContact O-N 3.05Å; I212-F216 HydrophobicContact CG1-CD2 4.23Å; I212-F216 HydrophobicContact CG1-CE2 4.31Å; I212-F216 HydrophobicContact CG2-CD2 4.32Å; I212-F216 PolarHBondContact O-N 3.5Å; I212-F216 VanDerWaalsContact O-N 3.07Å
213A70.4Confident81.8Confident58 Ų5871.4 Ų71.448%0.47933%0.329SS..Hα-helixtrans-65.8-30174.900000112.4K210K210-A213 PolarHBondContact O-N 2.86Å
214R75.4Confident81.5Confident203 Ų20371.4 Ų71.477%0.76633%0.329SS*.Hα-helixtrans-81-41.1176.2-64.8-178.7176168.8-2.2112.8C211 I212C211-R214 PolarHBondContact O-N 2.9Å; I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 3.41Å
215R78.6Confident80.8Confident78 Ų7871.7 Ų71.729%0.29433%0.331SS..Hα-helixtrans-79.2-22.3-176.8-71.4179.9178.2105.2-28.1114.3D169 L185 D186 A189 C211 I212D169-R215 IonicContact OD2-CZ 3.08Å; D169-R215 IonicContact OD2-NH1 3.81Å; D169-R215 PolarHBondContact OD2-NH1 3.09Å; D169-R215 IonicContact OD2-NH2 2.74Å; D169-R215 PolarHBondContact OD2-NH2 3.17Å; L185-R215 HydrophobicContact CD1-CB 4.41Å; D186-R215 VanDerWaalsContact CG-NH2 3.26Å; D186-R215 IonicContact OD1-CZ 2.8Å; D186-R215 IonicContact OD1-NE 3.66Å; D186-R215 PolarHBondContact OD1-NE 3.37Å; D186-R215 IonicContact OD1-NH2 3.87Å; D186-R215 PolarHBondContact OD1-NH2 3.23Å; D186-R215 IonicContact OD2-CZ 2.98Å; D186-R215 IonicContact OD2-NH2 3.39Å; D186-R215 PolarHBondContact OD2-NH2 3.03Å; D186-R215 VanDerWaalsContact OD2-NH2 3.09Å; A189-R215 HydrophobicContact CB-CB 4.23Å; C211-R215 PolarHBondContact O-N 2.94Å; C211-R215 VanDerWaalsContact O-N 3.14Å; I212-R215 PolarHBondContact O-N 3.05Å
216F80.7Confident80.3Confident7 Ų774 Ų743%0.03134%0.343CS..THydrogen-bonded Turntrans-123.549.8-177.9-64-60.4000114.1V34 L167 L185 W188 A189 I212 H218 F219V34-F216 HydrophobicContact CG2-CB 4.31Å; V34-F216 HydrophobicContact CG2-CD2 4.48Å; L167-F216 HydrophobicContact CD2-CE2 3.85Å; L167-F216 HydrophobicContact CD2-CZ 4.25Å; L185-F216 HydrophobicContact CD1-CD2 4.22Å; L185-F216 HydrophobicContact CD1-CE2 3.41Å; L185-F216 VanDerWaalsContact CD1-CE2 3.41Å; L185-F216 HydrophobicContact CD1-CZ 4.01Å; W188-F216 AromaticContact CD1-CE1 3.94Å; W188-F216 AromaticContact CD1-CZ 3.94Å; A189-F216 HydrophobicContact CB-CE1 4.33Å; A189-F216 HydrophobicContact CB-CZ 4.45Å; I212-F216 HydrophobicContact CG1-CD2 4.23Å; I212-F216 HydrophobicContact CG1-CE2 4.31Å; I212-F216 HydrophobicContact CG2-CD2 4.32Å; I212-F216 PolarHBondContact O-N 3.5Å; I212-F216 VanDerWaalsContact O-N 3.07Å; F216-H218 PolarHBondContact O-N 3.24Å; F216-F219 HydrophobicContact CB-CB 4.16Å; F216-F219 HydrophobicContact CB-CD2 3.88Å; F216-F219 HydrophobicContact CB-CE2 4.45Å; F216-F219 HydrophobicContact CB-CG 4.01Å; F216-F219 AromaticContact CD1-CD2 3.82Å; F216-F219 HydrophobicContact CD1-CD2 3.82Å; F216-F219 HydrophobicContact CD1-CE1 4.4Å; F216-F219 AromaticContact CD1-CE2 3.5Å; F216-F219 HydrophobicContact CD1-CE2 3.5Å; F216-F219 HydrophobicContact CD1-CG 4.39Å; F216-F219 AromaticContact CD1-CZ 3.83Å; F216-F219 HydrophobicContact CD1-CZ 3.83Å; F216-F219 AromaticContact CE1-CE2 3.8Å; F216-F219 HydrophobicContact CE1-CE2 3.8Å; F216-F219 HydrophobicContact CE1-CZ 4.09Å; F216-F219 AromaticContact CG-CD2 3.84Å; F216-F219 HydrophobicContact CG-CD2 3.84Å; F216-F219 AromaticContact CG-CE2 3.97Å; F216-F219 HydrophobicContact CG-CE2 3.97Å; F216-F219 HydrophobicContact CG-CG 4.41Å; F216-F219 HydrophobicContact CZ-CE2 4.47Å; F216-F219 PolarHBondContact O-N 3.24Å; F216-F219 VanDerWaalsContact O-N 3.09Å
217L73.8Confident79.6Confident141 Ų14173.3 Ų73.374%0.73835%0.347SS*.THydrogen-bonded Turntrans-53.5-27.8-179.1-71.2165000114.6
218H78.5Confident79.3Confident143 Ų14375.5 Ų75.566%0.66236%0.362SS*.THydrogen-bonded Turntrans-96.15.2-177.9-55-60.6000114.9F216F216-H218 PolarHBondContact O-N 3.24Å
219F87.7Confident79.5Confident16 Ų1673.8 Ų73.87%0.0735%0.349CS..SBendtrans-96.4139.7179.3-74.28.2000111.6K31 G32 V34 Q192 T201 F216 K221K31-F219 HydrophobicContact CB-CD1 4.27Å; K31-F219 HydrophobicContact CB-CE1 3.96Å; G32-F219 CarbonylContact O-C 3.35Å; G32-F219 WeakPolarHBondContact O-CA 3.27Å; V34-F219 HydrophobicContact CG2-CB 3.88Å; V34-F219 HydrophobicContact CG2-CD2 3.83Å; V34-F219 HydrophobicContact CG2-CG 4.38Å; Q192-F219 HydrophobicContact CG-CE1 4.35Å; Q192-F219 HydrophobicContact CG-CZ 4.11Å; T201-F219 HydrophobicContact CG2-CE2 3.77Å; T201-F219 HydrophobicContact CG2-CZ 4.14Å; F216-F219 HydrophobicContact CB-CB 4.16Å; F216-F219 HydrophobicContact CB-CD2 3.88Å; F216-F219 HydrophobicContact CB-CE2 4.45Å; F216-F219 HydrophobicContact CB-CG 4.01Å; F216-F219 AromaticContact CD1-CD2 3.82Å; F216-F219 HydrophobicContact CD1-CD2 3.82Å; F216-F219 HydrophobicContact CD1-CE1 4.4Å; F216-F219 AromaticContact CD1-CE2 3.5Å; F216-F219 HydrophobicContact CD1-CE2 3.5Å; F216-F219 HydrophobicContact CD1-CG 4.39Å; F216-F219 AromaticContact CD1-CZ 3.83Å; F216-F219 HydrophobicContact CD1-CZ 3.83Å; F216-F219 AromaticContact CE1-CE2 3.8Å; F216-F219 HydrophobicContact CE1-CE2 3.8Å; F216-F219 HydrophobicContact CE1-CZ 4.09Å; F216-F219 AromaticContact CG-CD2 3.84Å; F216-F219 HydrophobicContact CG-CD2 3.84Å; F216-F219 AromaticContact CG-CE2 3.97Å; F216-F219 HydrophobicContact CG-CE2 3.97Å; F216-F219 HydrophobicContact CG-CG 4.41Å; F216-F219 HydrophobicContact CZ-CE2 4.47Å; F216-F219 PolarHBondContact O-N 3.24Å; F216-F219 VanDerWaalsContact O-N 3.09Å; F219-K221 PolarHBondContact O-N 2.65Å
220R89.5Confident79.6Confident95 Ų9576.2 Ų76.236%0.35837%0.365SS..EExtended strand (participates in β ladder)trans-74.2114.3180-158.9-173.1-161173.15.5109.9H24 C25 G32 V33 V34H24-R220 PolarHBondContact CD2-NH1 2.97Å; H24-R220 PolarHBondContact NE2-NH1 3.23Å; H24-R220 VanDerWaalsContact NE2-NH1 3.13Å; C25-R220 WeakPolarHBondContact SG-CD 3.49Å; C25-R220 PolarHBondContact SG-NH1 3.38Å; G32-R220 PolarHBondContact O-N 2.93Å; V33-R220 VanDerWaalsContact CA-O 3.29Å; V33-R220 WeakPolarHBondContact CA-O 3.21Å; V33-R220 HydrophobicContact CG2-CB 4.09Å; V34-R220 PolarHBondContact N-O 3.09Å; V34-R220 VanDerWaalsContact N-O 3.11Å
221K88.9Confident80Confident127 Ų12770.2 Ų70.255%0.55234%0.339SS*.EExtended strand (participates in β ladder)trans-76.1131.6179.3-168.9173.5178.2-179.90111V34 I36 F219V34-K221 WeakPolarHBondContact O-CA 3.42Å; I36-K221 HydrophobicContact CG1-CG 4.17Å; F219-K221 PolarHBondContact O-N 2.65Å
222I89.3Confident80.2Confident6 Ų668.1 Ų68.13%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-122.9136.1173.3-56.3177.5000108.4W17 L18 R21 V33 V34 I36 L224W17-I222 HydrophobicContact CH2-CG2 3.78Å; W17-I222 HydrophobicContact CZ3-CG2 3.65Å; L18-I222 HydrophobicContact CD1-CB 4.44Å; L18-I222 HydrophobicContact CD1-CD1 4.01Å; L18-I222 HydrophobicContact CD1-CG2 3.74Å; R21-I222 HydrophobicContact CB-CD1 4.33Å; R21-I222 HydrophobicContact CG-CD1 3.91Å; V33-I222 HydrophobicContact CG1-CD1 3.62Å; V33-I222 HydrophobicContact CG1-CG1 4.01Å; V33-I222 HydrophobicContact CG2-CD1 4.26Å; V34-I222 PolarHBondContact O-N 3.3Å; I36-I222 WeakPolarHBondContact CG1-O 3.47Å; I36-I222 PolarHBondContact N-O 3.27Å; I222-L224 HydrophobicContact CG2-CD2 4.43Å
223T88.7Confident80.3Confident46 Ų4673 Ų7328%0.28235%0.349SS..EExtended strand (participates in β ladder)trans-118.6124.7-174.1-53.30000109.9I36 D225I36-T223 HydrophobicContact CD1-CG2 4.14Å; I36-T223 HydrophobicContact CG1-CG2 4.38Å; I36-T223 WeakPolarHBondContact O-CA 3.49Å; T223-D225 WeakPolarHBondContact CG2-OD1 3.32Å
224L86.4Confident80.8Confident0 Ų076 Ų760%035%0.354CS..SBendtrans-97.5-15.7-175.2-57.6-171.1000114.7R15 W17 L18 V35 I36 C41 K43 I222R15-L224 PolarHBondContact NH1-O 3.43Å; R15-L224 PolarHBondContact NH2-O 3.25Å; W17-L224 HydrophobicContact CH2-CD2 3.79Å; W17-L224 HydrophobicContact CZ2-CD2 3.91Å; L18-L224 HydrophobicContact CD1-CD2 4.06Å; L18-L224 HydrophobicContact CD2-CD1 4.37Å; L18-L224 HydrophobicContact CD2-CD2 3.97Å; L18-L224 HydrophobicContact CG-CD2 4.48Å; V35-L224 HydrophobicContact CG1-CD1 3.66Å; V35-L224 HydrophobicContact CG1-CD2 3.97Å; V35-L224 HydrophobicContact CG1-CG 3.7Å; I36-L224 PolarHBondContact O-N 2.76Å; C41-L224 HydrophobicContact CB-CB 4.38Å; K43-L224 HydrophobicContact CG-CD1 3.84Å; I222-L224 HydrophobicContact CG2-CD2 4.43Å
225D77.6Confident81.3Confident8 Ų867 Ų674%0.04332%0.321CS..  trans-110.129.9-16860.6-36000112.7G37 E38 C41 R207 T223G37-D225 WeakPolarHBondContact CA-OD1 3.34Å; G37-D225 WeakPolarHBondContact CA-OD2 3.47Å; E38-D225 HydrophobicContact CB-CB 4.22Å; E38-D225 WeakPolarHBondContact CG-OD2 3.13Å; E38-D225 PolarHBondContact N-OD2 3.37Å; C41-D225 HydrophobicContact CB-CB 4.43Å; R207-D225 WeakPolarHBondContact CD-OD2 3.04Å; R207-D225 IonicContact CZ-OD2 2.84Å; R207-D225 IonicContact NE-OD2 3.4Å; R207-D225 VanDerWaalsContact NH1-CG 3.33Å; R207-D225 PolarHBondContact NH1-O 2.76Å; R207-D225 IonicContact NH1-OD1 3.17Å; R207-D225 IonicContact NH1-OD2 2.89Å; R207-D225 PolarHBondContact NH1-OD2 3.13Å; T223-D225 WeakPolarHBondContact CG2-OD1 3.32Å
226N78.4Confident81.6Confident51 Ų5163.5 Ų63.527%0.27331%0.307SS..  trans-105.587.7171.6-174.4-12.7000109.8Q228 R229 I232N226-Q228 PolarHBondContact O-N 3.04Å; N226-Q228 VanDerWaalsContact O-N 3.1Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.42Å; N226-Q228 PolarHBondContact OD1-N 2.81Å; N226-R229 HydrophobicContact CB-CG 4.4Å; N226-R229 PolarHBondContact O-N 3.13Å; N226-I232 WeakPolarHBondContact O-CD1 2.94Å
227A70.7Confident81.7Confident28 Ų2864 Ų6423%0.23132%0.315CS..THydrogen-bonded Turntrans-60.9-15.9-178.600000114.5R229 M233 N273A227-R229 PolarHBondContact O-N 3.19Å; A227-R229 VanDerWaalsContact O-N 3.12Å; A227-M233 WeakPolarHBondContact O-CG 3.31Å; A227-N273 WeakPolarHBondContact CB-OD1 3.38Å
228Q73.5Confident82.1Confident176 Ų17659.9 Ų59.982%0.82230%0.301SS*.THydrogen-bonded Turntrans-71.30.9174.9-57178-31.400113.5N226N226-Q228 PolarHBondContact O-N 3.04Å; N226-Q228 VanDerWaalsContact O-N 3.1Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.42Å; N226-Q228 PolarHBondContact OD1-N 2.81Å
229R80.6Confident82.5Confident112 Ų11253.7 Ų53.742%0.42327%0.272SS..SBendtrans-100.4126.6-179.9-65.8-176.3167.8-122.5-11.7110.6N226 A227 H231 I232 M233N226-R229 HydrophobicContact CB-CG 4.4Å; N226-R229 PolarHBondContact O-N 3.13Å; A227-R229 PolarHBondContact O-N 3.19Å; A227-R229 VanDerWaalsContact O-N 3.12Å; R229-H231 PolarHBondContact O-N 2.74Å; R229-I232 HydrophobicContact CB-CB 4.36Å; R229-I232 HydrophobicContact CB-CD1 4.08Å; R229-I232 HydrophobicContact CB-CG1 4.09Å; R229-I232 WeakPolarHBondContact O-CB 3.39Å; R229-I232 PolarHBondContact O-N 2.96Å; R229-M233 PolarHBondContact O-N 3.02Å
230P79.6Confident82.3Confident76 Ų7653 Ų5349%0.49427%0.269SS..Hα-helixtrans-58.9-45.5-172.322.2-33.2000112.6I232 M233 E234P230-I232 PolarHBondContact O-N 2.66Å; P230-M233 CarbonylContact O-C 3.57Å; P230-M233 WeakPolarHBondContact O-CA 3.34Å; P230-M233 WeakPolarHBondContact O-CB 3.12Å; P230-M233 PolarHBondContact O-N 3.45Å; P230-E234 VanDerWaalsContact C-OE1 3.22Å; P230-E234 WeakPolarHBondContact O-CG 3.38Å; P230-E234 PolarHBondContact O-N 2.9Å
231H79.5Confident81.9Confident49 Ų4950.8 Ų50.823%0.22727%0.271CS..Hα-helixtrans-57.5-21.9174.951.3-95.5000115W17 R229 E234 D235W17-H231 AromaticContact CD2-CD2 3.8Å; W17-H231 AromaticContact CE2-CD2 3.57Å; W17-H231 HydrophobicContact CG-CB 4.39Å; W17-H231 AromaticContact CZ2-CD2 3.97Å; W17-H231 AromaticContact NE1-CD2 3.69Å; R229-H231 PolarHBondContact O-N 2.74Å; H231-E234 PolarHBondContact N-OE1 3.09Å; H231-D235 WeakPolarHBondContact O-CB 3.31Å; H231-D235 PolarHBondContact O-N 3.14Å; H231-D235 VanDerWaalsContact O-N 3.15Å; H231-D235 VanDerWaalsContact O-OD2 3.12Å
232I79.5Confident81.5Confident1 Ų146.7 Ų46.71%0.00525%0.254CS..Hα-helixtrans-82.8-31.4175-63.8-175.8000111.1W17 N226 R229 P230 V236W17-I232 HydrophobicContact CZ2-CD1 4.24Å; W17-I232 HydrophobicContact CZ2-CG1 4.1Å; N226-I232 WeakPolarHBondContact O-CD1 2.94Å; R229-I232 HydrophobicContact CB-CB 4.36Å; R229-I232 HydrophobicContact CB-CD1 4.08Å; R229-I232 HydrophobicContact CB-CG1 4.09Å; R229-I232 WeakPolarHBondContact O-CB 3.39Å; R229-I232 PolarHBondContact O-N 2.96Å; P230-I232 PolarHBondContact O-N 2.66Å; I232-V236 WeakPolarHBondContact O-CB 3.43Å; I232-V236 VanDerWaalsContact O-CG2 3.22Å; I232-V236 WeakPolarHBondContact O-CG2 3.39Å; I232-V236 PolarHBondContact O-N 3.3Å
233M78.8Confident81.1Confident111 Ų11149.1 Ų49.155%0.54726%0.263SS..Hα-helixtrans-74-41.1170.8-59.9-170-68.100111.4A227 R229 P230 V236 G237A227-M233 WeakPolarHBondContact O-CG 3.31Å; R229-M233 PolarHBondContact O-N 3.02Å; P230-M233 CarbonylContact O-C 3.57Å; P230-M233 WeakPolarHBondContact O-CA 3.34Å; P230-M233 WeakPolarHBondContact O-CB 3.12Å; P230-M233 PolarHBondContact O-N 3.45Å; M233-V236 PolarHBondContact O-N 2.7Å; M233-G237 PolarHBondContact O-N 3.34Å
234E81.7Confident80.5Confident123 Ų12347.2 Ų47.258%0.57525%0.251SS*.Hα-helixtrans-57.6-49.9173.8-68157.5-141.800111.8P230 H231 V236 G237 A238P230-E234 VanDerWaalsContact C-OE1 3.22Å; P230-E234 WeakPolarHBondContact O-CG 3.38Å; P230-E234 PolarHBondContact O-N 2.9Å; H231-E234 PolarHBondContact N-OE1 3.09Å; E234-V236 PolarHBondContact O-N 3.11Å; E234-G237 PolarHBondContact O-N 2.84Å; E234-A238 VanDerWaalsContact O-CB 3.27Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.99Å
235D85.1Confident79.9Confident14 Ų1451.5 Ų51.58%0.07528%0.281CS..Hα-helixtrans-51.3-44.6174.3-80.9-32.5000112.2R15 W17 H231 Y239 F276R15-D235 VanDerWaalsContact CA-OD1 3.26Å; R15-D235 WeakPolarHBondContact CA-OD1 3.28Å; R15-D235 WeakPolarHBondContact CD-OD2 3.04Å; R15-D235 IonicContact CZ-OD2 3.74Å; R15-D235 PolarHBondContact N-OD1 3.42Å; R15-D235 IonicContact NE-OD2 3.67Å; R15-D235 IonicContact NH1-OD2 2.7Å; R15-D235 PolarHBondContact NH1-OD2 2.94Å; W17-D235 PolarHBondContact NE1-OD2 3.41Å; H231-D235 WeakPolarHBondContact O-CB 3.31Å; H231-D235 PolarHBondContact O-N 3.14Å; H231-D235 VanDerWaalsContact O-N 3.15Å; H231-D235 VanDerWaalsContact O-OD2 3.12Å; D235-Y239 WeakPolarHBondContact O-CB 3.48Å; D235-Y239 PolarHBondContact O-N 3.5Å; D235-F276 HydrophobicContact CB-CZ 4.15Å
236V85Confident79.3Confident3 Ų355.6 Ų55.62%0.01830%0.303CS..Hα-helixtrans-73-47.8-174.8160.50000110.7I232 M233 E234 A238 Y239 V240 F276 L279I232-V236 WeakPolarHBondContact O-CB 3.43Å; I232-V236 VanDerWaalsContact O-CG2 3.22Å; I232-V236 WeakPolarHBondContact O-CG2 3.39Å; I232-V236 PolarHBondContact O-N 3.3Å; M233-V236 PolarHBondContact O-N 2.7Å; E234-V236 PolarHBondContact O-N 3.11Å; V236-A238 VanDerWaalsContact C-N 3.34Å; V236-A238 PolarHBondContact O-N 3.03Å; V236-Y239 PolarHBondContact O-N 3.33Å; V236-V240 WeakPolarHBondContact O-CG2 3.4Å; V236-V240 PolarHBondContact O-N 2.84Å; V236-F276 HydrophobicContact CG2-CE2 3.82Å; V236-F276 HydrophobicContact CG2-CZ 4.24Å; V236-L279 HydrophobicContact CG1-CD1 3.88Å; V236-L279 HydrophobicContact CG2-CD1 4.41Å
237G82.1Confident78.3Confident19 Ų1954.2 Ų54.220%0.19630%0.297CS..Hα-helixtrans-59.7-45176.100000111.8M233 E234 Y239 V240 A241M233-G237 PolarHBondContact O-N 3.34Å; E234-G237 PolarHBondContact O-N 2.84Å; G237-Y239 VanDerWaalsContact C-N 3.34Å; G237-Y239 PolarHBondContact O-N 2.98Å; G237-V240 PolarHBondContact O-N 3.44Å; G237-A241 WeakPolarHBondContact O-CB 3.36Å; G237-A241 PolarHBondContact O-N 3.42Å
238A82.9Confident77.4Confident54 Ų5460.3 Ų60.345%0.44633%0.325SS..Hα-helixtrans-62.8-36.6176.200000113E234 V236 H242E234-A238 VanDerWaalsContact O-CB 3.27Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.99Å; V236-A238 VanDerWaalsContact C-N 3.34Å; V236-A238 PolarHBondContact O-N 3.03Å; A238-H242 VanDerWaalsContact O-CB 3.28Å; A238-H242 WeakPolarHBondContact O-CB 3.46Å; A238-H242 PolarHBondContact O-N 2.92Å
239Y86.7Confident76.3Confident13 Ų1355.1 Ų55.15%0.05131%0.312CS..Hα-helixtrans-65.8-46.5174.1179.4-100.5000112I13 D235 V236 G237 R243 F276 L279 L283I13-Y239 HydrophobicContact CB-CD2 4.19Å; I13-Y239 VanDerWaalsContact O-CD2 3.31Å; I13-Y239 WeakPolarHBondContact O-CD2 3.39Å; D235-Y239 WeakPolarHBondContact O-CB 3.48Å; D235-Y239 PolarHBondContact O-N 3.5Å; V236-Y239 PolarHBondContact O-N 3.33Å; G237-Y239 VanDerWaalsContact C-N 3.34Å; G237-Y239 PolarHBondContact O-N 2.98Å; Y239-R243 HydrophobicContact CD1-CG 4.24Å; Y239-R243 HydrophobicContact CD2-CG 4.1Å; Y239-R243 HydrophobicContact CE1-CG 3.94Å; Y239-R243 HydrophobicContact CE2-CG 3.8Å; Y239-R243 HydrophobicContact CG-CG 4.32Å; Y239-R243 VanDerWaalsContact O-CB 3.25Å; Y239-R243 WeakPolarHBondContact O-CB 3.49Å; Y239-R243 WeakPolarHBondContact O-CG 3.36Å; Y239-R243 PolarHBondContact O-N 2.9Å; Y239-R243 PolarHBondContact OH-NE 3.42Å; Y239-F276 HydrophobicContact CD1-CD1 4.03Å; Y239-F276 HydrophobicContact CD1-CE1 4.15Å; Y239-F276 AromaticContact CD2-CD1 3.92Å; Y239-F276 HydrophobicContact CD2-CD1 3.92Å; Y239-F276 AromaticContact CD2-CE1 3.78Å; Y239-F276 HydrophobicContact CD2-CE1 3.78Å; Y239-F276 HydrophobicContact CE1-CD1 4.32Å; Y239-F276 HydrophobicContact CE2-CD1 4.21Å; Y239-F276 AromaticContact CG-CD1 3.83Å; Y239-F276 HydrophobicContact CG-CD1 3.83Å; Y239-F276 AromaticContact CG-CE1 3.57Å; Y239-F276 HydrophobicContact CG-CE1 3.57Å; Y239-L279 HydrophobicContact CD1-CB 4.04Å; Y239-L279 HydrophobicContact CD1-CD1 3.86Å; Y239-L279 HydrophobicContact CE1-CB 3.83Å; Y239-L279 HydrophobicContact CE1-CD1 4.44Å; Y239-L283 HydrophobicContact CE1-CD1 4.38Å
240V84.6Confident75Confident0 Ų052.4 Ų52.40%030%0.304CS..Hα-helixtrans-63.5-50.1178.4-177.60000110.4V236 G237 H242 R243 L244 V265 L268 L279 L283V236-V240 WeakPolarHBondContact O-CG2 3.4Å; V236-V240 PolarHBondContact O-N 2.84Å; G237-V240 PolarHBondContact O-N 3.44Å; V240-H242 PolarHBondContact O-N 3.06Å; V240-R243 PolarHBondContact O-N 2.64Å; V240-R243 VanDerWaalsContact O-N 3.14Å; V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 HydrophobicContact CG1-CG 4.29Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.32Å; V240-L244 PolarHBondContact O-N 3.35Å; V240-V265 HydrophobicContact CB-CG2 4.12Å; V240-V265 HydrophobicContact CG1-CB 4.44Å; V240-V265 HydrophobicContact CG1-CG2 3.73Å; V240-L268 HydrophobicContact CG1-CD1 4.17Å; V240-L268 HydrophobicContact CG2-CB 4.36Å; V240-L279 HydrophobicContact CG2-CD1 4.06Å; V240-L279 HydrophobicContact CG2-CD2 3.74Å; V240-L279 HydrophobicContact CG2-CG 4.38Å; V240-L283 HydrophobicContact CG1-CD1 4.36Å; V240-L283 HydrophobicContact CG1-CD2 4.38Å; V240-L283 HydrophobicContact CG2-CD1 4.43Å
241A79.7Confident73.3Confident49 Ų4957.6 Ų57.641%0.40532%0.318SS..Hα-helixtrans-56.2-47.4178.800000112.2G237 R243 L244 S245G237-A241 WeakPolarHBondContact O-CB 3.36Å; G237-A241 PolarHBondContact O-N 3.42Å; A241-R243 PolarHBondContact O-N 3.17Å; A241-L244 PolarHBondContact O-N 2.99Å; A241-S245 PolarHBondContact O-N 3.37Å
242H80.5Confident71.7Confident42 Ų4257.6 Ų57.619%0.19433%0.332CS..Hα-helixtrans-65.6-37.9177.9-169.5-54000112.6R11 I13 A238 V240 L244 S245 D246R11-H242 VanDerWaalsContact CZ-CE1 3.47Å; R11-H242 PolarHBondContact NH1-CE1 3Å; R11-H242 PolarHBondContact NH2-CE1 3.25Å; R11-H242 PolarHBondContact NH2-NE2 2.78Å; I13-H242 HydrophobicContact CD1-CB 4.34Å; I13-H242 WeakPolarHBondContact CD1-ND1 3.39Å; I13-H242 HydrophobicContact CG2-CB 4.4Å; A238-H242 VanDerWaalsContact O-CB 3.28Å; A238-H242 WeakPolarHBondContact O-CB 3.46Å; A238-H242 PolarHBondContact O-N 2.92Å; V240-H242 PolarHBondContact O-N 3.06Å; H242-L244 VanDerWaalsContact C-N 3.29Å; H242-L244 PolarHBondContact O-N 3.45Å; H242-S245 WeakPolarHBondContact CA-OG 2.96Å; H242-S245 PolarHBondContact O-N 2.99Å; H242-S245 PolarHBondContact O-OG 3.27Å; H242-D246 VanDerWaalsContact CE1-CG 3.41Å; H242-D246 IonicContact CE1-OD1 3.22Å; H242-D246 PolarHBondContact CE1-OD1 3.49Å; H242-D246 VanDerWaalsContact CE1-OD1 3.3Å; H242-D246 IonicContact CE1-OD2 2.9Å; H242-D246 PolarHBondContact CE1-OD2 3.48Å; H242-D246 IonicContact ND1-OD1 2.72Å; H242-D246 IonicContact ND1-OD2 3.54Å; H242-D246 PolarHBondContact O-N 3.39Å
243R82.1Confident69.8Low56 Ų5660.6 Ų60.621%0.21135%0.353CS..Hα-helixtrans-71.6-25.4179.7-73.4-82.8-74148.64.6112.7Y239 V240 A241 L283 D284Y239-R243 HydrophobicContact CD1-CG 4.24Å; Y239-R243 HydrophobicContact CD2-CG 4.1Å; Y239-R243 HydrophobicContact CE1-CG 3.94Å; Y239-R243 HydrophobicContact CE2-CG 3.8Å; Y239-R243 HydrophobicContact CG-CG 4.32Å; Y239-R243 VanDerWaalsContact O-CB 3.25Å; Y239-R243 WeakPolarHBondContact O-CB 3.49Å; Y239-R243 WeakPolarHBondContact O-CG 3.36Å; Y239-R243 PolarHBondContact O-N 2.9Å; Y239-R243 PolarHBondContact OH-NE 3.42Å; V240-R243 PolarHBondContact O-N 2.64Å; V240-R243 VanDerWaalsContact O-N 3.14Å; A241-R243 PolarHBondContact O-N 3.17Å; R243-L283 HydrophobicContact CB-CD1 3.83Å; R243-L283 HydrophobicContact CG-CD1 4.46Å; R243-D284 IonicContact CZ-OD1 3.21Å; R243-D284 IonicContact NH1-OD1 2.69Å; R243-D284 IonicContact NH2-OD1 3.37Å; R243-D284 PolarHBondContact NH2-OD1 2.88Å
244L76.3Confident68.3Low6 Ų659.7 Ų59.73%0.03136%0.355CS..Hα-helixtrans-73.6-40.8168.4-66.1170.5000111V240 A241 H242 F250 Q261 V265 L283 F293V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 HydrophobicContact CG1-CG 4.29Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.32Å; V240-L244 PolarHBondContact O-N 3.35Å; A241-L244 PolarHBondContact O-N 2.99Å; H242-L244 VanDerWaalsContact C-N 3.29Å; H242-L244 PolarHBondContact O-N 3.45Å; L244-F250 HydrophobicContact CD2-CD2 4.49Å; L244-F250 HydrophobicContact CD2-CE1 4.37Å; L244-F250 HydrophobicContact CD2-CE2 3.65Å; L244-F250 HydrophobicContact CD2-CZ 3.58Å; L244-F250 WeakPolarHBondContact O-CD2 3.18Å; L244-Q261 HydrophobicContact CD1-CB 4.46Å; L244-Q261 HydrophobicContact CD1-CG 4.19Å; L244-V265 HydrophobicContact CD1-CG2 4.13Å; L244-L283 HydrophobicContact CD2-CD2 3.95Å; L244-L283 HydrophobicContact CG-CD2 4.42Å; L244-F293 HydrophobicContact CD2-CE2 3.93Å
245S72.7Confident66.5Low90 Ų9061.8 Ų61.863%0.62937%0.365SS*.Hα-helixtrans-73.7-33.9-179.372.40000115.3A241 H242 S247A241-S245 PolarHBondContact O-N 3.37Å; H242-S245 WeakPolarHBondContact CA-OG 2.96Å; H242-S245 PolarHBondContact O-N 2.99Å; H242-S245 PolarHBondContact O-OG 3.27Å; S245-S247 PolarHBondContact O-N 3.02Å
246D65.5Low64.7Low95 Ų9568.5 Ų68.551%0.50840%0.396SS..THydrogen-bonded Turntrans-67.4-12.1177.8-106.78.3000112.7R11 H242R11-D246 IonicContact NH1-OD1 2.98Å; R11-D246 PolarHBondContact NH1-OD1 2.81Å; R11-D246 IonicContact NH1-OD2 3.98Å; R11-D246 PolarHBondContact NH1-OD2 3.26Å; H242-D246 VanDerWaalsContact CE1-CG 3.41Å; H242-D246 IonicContact CE1-OD1 3.22Å; H242-D246 PolarHBondContact CE1-OD1 3.49Å; H242-D246 VanDerWaalsContact CE1-OD1 3.3Å; H242-D246 IonicContact CE1-OD2 2.9Å; H242-D246 PolarHBondContact CE1-OD2 3.48Å; H242-D246 IonicContact ND1-OD1 2.72Å; H242-D246 IonicContact ND1-OD2 3.54Å; H242-D246 PolarHBondContact O-N 3.39Å
247S56.8Low63.1Low21 Ų2170.2 Ų70.215%0.14741%0.407CS..  trans-101.192.7-168.3175.20000112.7S245 A249 F250S245-S247 PolarHBondContact O-N 3.02Å; S247-A249 PolarHBondContact O-N 2.84Å; S247-F250 VanDerWaalsContact CB-CD2 3.47Å; S247-F250 VanDerWaalsContact CB-CE2 3.48Å; S247-F250 WeakPolarHBondContact O-CD2 3.49Å; S247-F250 PolarHBondContact O-N 2.91Å; S247-F250 WeakPolarHBondContact OG-CD2 3.13Å; S247-F250 WeakPolarHBondContact OG-CE2 3.48Å
248L51.3Low61.7Low157 Ų15774.4 Ų74.482%0.82242%0.423SS*.THydrogen-bonded Turntrans-58.3-4170.2-72.6169.8000114.8
249A50.3Low60.3Low67 Ų6776.8 Ų76.855%0.55443%0.432SS*.THydrogen-bonded Turntrans-77.8-17.2171.900000113.3S247 K251 R287S247-A249 PolarHBondContact O-N 2.84Å; A249-K251 PolarHBondContact O-N 3.15Å; A249-R287 HydrophobicContact CB-CG 4.41Å
250F53.7Low59.1Low55 Ų5577.1 Ų77.124%0.24144%0.44CS..  trans-77.952.9175.8-67-64000112.9L244 S247 G252 V286 F293L244-F250 HydrophobicContact CD2-CD2 4.49Å; L244-F250 HydrophobicContact CD2-CE1 4.37Å; L244-F250 HydrophobicContact CD2-CE2 3.65Å; L244-F250 HydrophobicContact CD2-CZ 3.58Å; L244-F250 WeakPolarHBondContact O-CD2 3.18Å; S247-F250 VanDerWaalsContact CB-CD2 3.47Å; S247-F250 VanDerWaalsContact CB-CE2 3.48Å; S247-F250 WeakPolarHBondContact O-CD2 3.49Å; S247-F250 PolarHBondContact O-N 2.91Å; S247-F250 WeakPolarHBondContact OG-CD2 3.13Å; S247-F250 WeakPolarHBondContact OG-CE2 3.48Å; F250-G252 PolarHBondContact O-N 3.39Å; F250-G252 VanDerWaalsContact O-N 3.14Å; F250-V286 HydrophobicContact CE1-CG1 3.83Å; F250-V286 HydrophobicContact CZ-CG1 4.04Å; F250-F293 HydrophobicContact CE1-CD2 4.04Å; F250-F293 HydrophobicContact CE1-CE2 4.26Å
251K44Very low58.2Low184 Ų18479.8 Ų79.880%0.845%0.453SS*.  trans-87.261.9172.1-73.4-173.2174.8-173.50111.6A249A249-K251 PolarHBondContact O-N 3.15Å
252G46.8Very low57.8Low50 Ų5084 Ų8452%0.51546%0.464SS..SBendtrans-83.6179.8156.500000111.1F250F250-G252 PolarHBondContact O-N 3.39Å; F250-G252 VanDerWaalsContact O-N 3.14Å
253S39.2Very low57.5Low63 Ų6387.2 Ų87.244%0.44148%0.479SS..  trans-64.1129.6168.5360000110.1E255 Q256 T257S253-E255 PolarHBondContact O-N 2.84Å; S253-E255 VanDerWaalsContact O-N 3.13Å; S253-Q256 PolarHBondContact O-N 3.33Å; S253-T257 PolarHBondContact O-N 2.86Å; S253-T257 PolarHBondContact O-OG1 3.49Å
254P47.1Very low57Low92 Ų9284.6 Ų84.660%0.59747%0.469SS*.Hα-helixtrans-63.1-28.2-165.723.7-34.4000114T257P254-T257 VanDerWaalsContact C-OG1 3.25Å; P254-T257 WeakPolarHBondContact CA-OG1 3.44Å; P254-T257 PolarHBondContact O-OG1 3.01Å
255E45Very low57Low167 Ų16785.6 Ų85.678%0.7848%0.476SS*.Hα-helixtrans-81-31.9-174.1-68.7152.7-177.100113S253S253-E255 PolarHBondContact O-N 2.84Å; S253-E255 VanDerWaalsContact O-N 3.13Å
256Q45.8Very low57.4Low155 Ų15586.6 Ų86.672%0.72447%0.474SS*.Hα-helixtrans-80.6-21.3175.3-72.5-177.7-18.400112.6S253S253-Q256 PolarHBondContact O-N 3.33Å
257T51.6Low58.2Low40 Ų4084.4 Ų84.425%0.24546%0.462CS..Hα-helixtrans-70.8-28.6-178.231.50000114.7S253 P254 Q261S253-T257 PolarHBondContact O-N 2.86Å; S253-T257 PolarHBondContact O-OG1 3.49Å; P254-T257 VanDerWaalsContact C-OG1 3.25Å; P254-T257 WeakPolarHBondContact CA-OG1 3.44Å; P254-T257 PolarHBondContact O-OG1 3.01Å; T257-Q261 WeakPolarHBondContact O-CB 3.32Å; T257-Q261 WeakPolarHBondContact O-CG 3.45Å; T257-Q261 PolarHBondContact O-N 3.16Å; T257-Q261 PolarHBondContact O-NE2 3.13Å
258I52.2Low59.4Low107 Ų10783.4 Ų83.455%0.54946%0.455SS..Hα-helixtrans-76.3-50.9-166.4-62.2169.6000112.3Q261 E262I258-Q261 WeakPolarHBondContact O-CB 3.3Å; I258-Q261 PolarHBondContact O-N 3.41Å; I258-E262 PolarHBondContact O-N 3.41Å
259T54.1Low60.8Low103 Ų10377 Ų7763%0.63243%0.427SS*.Hα-helixtrans-67-40.4-177.847.90000112.5Q261 E262 E263T259-Q261 PolarHBondContact O-N 3Å; T259-E262 PolarHBondContact O-N 3.21Å; T259-E263 PolarHBondContact O-N 3.08Å
260G61Low62.2Low21 Ų2180.3 Ų80.322%0.21644%0.435CS..Hα-helixtrans-62.3-29.9174.100000113.4L264 F293G260-L264 WeakPolarHBondContact O-CB 3.36Å; G260-L264 PolarHBondContact O-N 3.39Å; G260-F293 WeakPolarHBondContact O-CE1 3.3Å
261Q65.4Low63.7Low56 Ų5679.5 Ų79.526%0.26243%0.431SS..Hα-helixtrans-67.1-40.5176.6-77.5167.213.500112.4L244 T257 I258 T259 L264 V265 F293L244-Q261 HydrophobicContact CD1-CB 4.46Å; L244-Q261 HydrophobicContact CD1-CG 4.19Å; T257-Q261 WeakPolarHBondContact O-CB 3.32Å; T257-Q261 WeakPolarHBondContact O-CG 3.45Å; T257-Q261 PolarHBondContact O-N 3.16Å; T257-Q261 PolarHBondContact O-NE2 3.13Å; I258-Q261 WeakPolarHBondContact O-CB 3.3Å; I258-Q261 PolarHBondContact O-N 3.41Å; T259-Q261 PolarHBondContact O-N 3Å; Q261-L264 PolarHBondContact O-N 2.81Å; Q261-V265 WeakPolarHBondContact O-CB 3.38Å; Q261-V265 WeakPolarHBondContact O-CG2 3.44Å; Q261-V265 PolarHBondContact O-N 2.84Å; Q261-F293 HydrophobicContact CG-CE2 4.48Å; Q261-F293 HydrophobicContact CG-CZ 3.82Å
262E71.2Confident65.6Low136 Ų13670.9 Ų70.964%0.63639%0.394SS*.Hα-helixtrans-66.3-43.2177.8-63.7-166.2154.300112.2I258 T259 L264 V265 N266I258-E262 PolarHBondContact O-N 3.41Å; T259-E262 PolarHBondContact O-N 3.21Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 3.5Å; E262-V265 PolarHBondContact O-N 3.37Å; E262-N266 PolarHBondContact O-N 3.47Å; E262-N266 PolarHBondContact O-ND2 2.88Å; E262-N266 VanDerWaalsContact O-ND2 3.13Å
263E74.2Confident67.3Low110 Ų11072.7 Ų72.751%0.51439%0.392SS..Hα-helixtrans-57.3-45172.1-72.7-168.2175.400111.9T259 N266 L267 K297T259-E263 PolarHBondContact O-N 3.08Å; E263-N266 PolarHBondContact O-N 2.61Å; E263-L267 VanDerWaalsContact O-CB 3.29Å; E263-L267 WeakPolarHBondContact O-CB 3.31Å; E263-L267 PolarHBondContact O-N 2.86Å; E263-K297 IonicContact OE2-NZ 2.66Å; E263-K297 PolarHBondContact OE2-NZ 2.98Å
264L72Confident69.3Low2 Ų269.9 Ų69.91%0.0137%0.372CS..Hα-helixtrans-71.3-36.7-178.5-170.767.4000112.1G260 Q261 E262 L267 L268 F293 A296G260-L264 WeakPolarHBondContact O-CB 3.36Å; G260-L264 PolarHBondContact O-N 3.39Å; Q261-L264 PolarHBondContact O-N 2.81Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 3.5Å; L264-L267 PolarHBondContact O-N 2.89Å; L264-L268 HydrophobicContact CD1-CD1 3.98Å; L264-L268 HydrophobicContact CD1-CD2 4.29Å; L264-L268 HydrophobicContact CD1-CG 3.78Å; L264-L268 HydrophobicContact CD2-CD1 4.08Å; L264-L268 HydrophobicContact CG-CD1 3.72Å; L264-L268 HydrophobicContact CG-CG 3.93Å; L264-L268 VanDerWaalsContact O-CB 3.24Å; L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 2.85Å; L264-F293 HydrophobicContact CB-CE1 3.9Å; L264-F293 HydrophobicContact CB-CZ 3.91Å; L264-F293 HydrophobicContact CD2-CD1 4.16Å; L264-F293 HydrophobicContact CD2-CD2 3.9Å; L264-F293 HydrophobicContact CD2-CE1 3.7Å; L264-F293 HydrophobicContact CD2-CE2 3.42Å; L264-F293 VanDerWaalsContact CD2-CE2 3.42Å; L264-F293 HydrophobicContact CD2-CG 4.25Å; L264-F293 HydrophobicContact CD2-CZ 3.31Å; L264-F293 HydrophobicContact CG-CE1 4.38Å; L264-F293 HydrophobicContact CG-CZ 4.22Å; L264-A296 HydrophobicContact CD1-CB 3.79Å
265V77.4Confident71.3Confident27 Ų2766.2 Ų66.216%0.16435%0.349CS..Hα-helixtrans-58.9-47.7172.9166.40000110.2V240 L244 Q261 E262 G269V240-V265 HydrophobicContact CB-CG2 4.12Å; V240-V265 HydrophobicContact CG1-CB 4.44Å; V240-V265 HydrophobicContact CG1-CG2 3.73Å; L244-V265 HydrophobicContact CD1-CG2 4.13Å; Q261-V265 WeakPolarHBondContact O-CB 3.38Å; Q261-V265 WeakPolarHBondContact O-CG2 3.44Å; Q261-V265 PolarHBondContact O-N 2.84Å; E262-V265 PolarHBondContact O-N 3.37Å; V265-G269 WeakPolarHBondContact O-CA 3.32Å; V265-G269 PolarHBondContact O-N 2.83Å
266N80.2Confident73.4Confident110 Ų11058.5 Ų58.559%0.58831%0.313SS*.Hα-helixtrans-65.9-45.8177.8-72.3-38.6000112.1E262 E263 G269 L270E262-N266 PolarHBondContact O-N 3.47Å; E262-N266 PolarHBondContact O-ND2 2.88Å; E262-N266 VanDerWaalsContact O-ND2 3.13Å; E263-N266 PolarHBondContact O-N 2.61Å; N266-G269 PolarHBondContact O-N 3.13Å; N266-L270 WeakPolarHBondContact O-CG 3.27Å; N266-L270 PolarHBondContact O-N 2.72Å
267L82.8Confident75.5Confident50 Ų5051.9 Ų51.926%0.26228%0.282SS..Hα-helixtrans-67.5-43.5-178.6-174.865.4000112.9E263 L264 G269 L270 K271 K297E263-L267 VanDerWaalsContact O-CB 3.29Å; E263-L267 WeakPolarHBondContact O-CB 3.31Å; E263-L267 PolarHBondContact O-N 2.86Å; L264-L267 PolarHBondContact O-N 2.89Å; L267-G269 VanDerWaalsContact C-N 3.29Å; L267-L270 PolarHBondContact O-N 3.09Å; L267-K271 HydrophobicContact CD1-CD 4.41Å; L267-K271 HydrophobicContact CD1-CG 4.33Å; L267-K271 HydrophobicContact CG-CD 4.19Å; L267-K271 HydrophobicContact CG-CG 4.43Å; L267-K271 VanDerWaalsContact O-CB 3.3Å; L267-K271 WeakPolarHBondContact O-CB 3.43Å; L267-K271 WeakPolarHBondContact O-CG 3.31Å; L267-K271 PolarHBondContact O-N 3.21Å; L267-K297 HydrophobicContact CD2-CB 4.06Å; L267-K297 HydrophobicContact CD2-CG 3.68Å
268L82.2Confident77.4Confident0 Ų050.1 Ų50.10%027%0.271CS..Hα-helixtrans-68.9-31.9173.8-67.1-178.3000111.2V240 L264 S272 L279 I282 L283V240-L268 HydrophobicContact CG1-CD1 4.17Å; V240-L268 HydrophobicContact CG2-CB 4.36Å; L264-L268 HydrophobicContact CD1-CD1 3.98Å; L264-L268 HydrophobicContact CD1-CD2 4.29Å; L264-L268 HydrophobicContact CD1-CG 3.78Å; L264-L268 HydrophobicContact CD2-CD1 4.08Å; L264-L268 HydrophobicContact CG-CD1 3.72Å; L264-L268 HydrophobicContact CG-CG 3.93Å; L264-L268 VanDerWaalsContact O-CB 3.24Å; L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 2.85Å; L268-S272 WeakPolarHBondContact O-CB 3.35Å; L268-S272 PolarHBondContact O-N 2.9Å; L268-S272 PolarHBondContact O-OG 3.19Å; L268-L279 HydrophobicContact CB-CD2 3.73Å; L268-I282 HydrophobicContact CD2-CD1 4.23Å; L268-I282 HydrophobicContact CD2-CG2 4.05Å; L268-L283 HydrophobicContact CD1-CD2 4.01Å; L268-L283 HydrophobicContact CD1-CG 4.47Å
269G80.2Confident79.2Confident23 Ų2345 Ų4524%0.23725%0.245CC..Hα-helixtrans-54-56.317000000111.9V265 N266 L267 S272V265-G269 WeakPolarHBondContact O-CA 3.32Å; V265-G269 PolarHBondContact O-N 2.83Å; N266-G269 PolarHBondContact O-N 3.13Å; L267-G269 VanDerWaalsContact C-N 3.29Å; G269-S272 PolarHBondContact O-OG 3.04Å; G269-S272 VanDerWaalsContact O-OG 3.08Å
270L80.5Confident80.8Confident136 Ų13642 Ų4271%0.71222%0.224SC*.Hα-helixtrans-62.4-53.6176.5-67.9169.4000112.3N266 L267 S272 N273N266-L270 WeakPolarHBondContact O-CG 3.27Å; N266-L270 PolarHBondContact O-N 2.72Å; L267-L270 PolarHBondContact O-N 3.09Å; L270-S272 VanDerWaalsContact C-N 3.28Å; L270-S272 PolarHBondContact O-N 2.79Å; L270-N273 PolarHBondContact O-N 2.96Å
271K84.8Confident82.2Confident37 Ų3741.9 Ų41.916%0.16122%0.218CC..Hα-helixtrans-64-27.1-175.8-76.4-172.3-180-1710114.4L267 Y278 A296 K297 V299 G301L267-K271 HydrophobicContact CD1-CD 4.41Å; L267-K271 HydrophobicContact CD1-CG 4.33Å; L267-K271 HydrophobicContact CG-CD 4.19Å; L267-K271 HydrophobicContact CG-CG 4.43Å; L267-K271 VanDerWaalsContact O-CB 3.3Å; L267-K271 WeakPolarHBondContact O-CB 3.43Å; L267-K271 WeakPolarHBondContact O-CG 3.31Å; L267-K271 PolarHBondContact O-N 3.21Å; K271-Y278 HydrophobicContact CB-CE1 3.85Å; K271-A296 PolarHBondContact NZ-O 3.34Å; K271-K297 PolarHBondContact NZ-O 3.13Å; K271-V299 WeakPolarHBondContact CE-O 3.5Å; K271-V299 PolarHBondContact NZ-O 3.35Å; K271-G301 CarbonylContact O-C 3.49Å
272S84.4Confident83.3Confident4 Ų439.2 Ų39.23%0.02821%0.206CC..Hα-helixtrans-77.9-23.2-179.6690000113.8L268 G269 L270 G274 C275L268-S272 WeakPolarHBondContact O-CB 3.35Å; L268-S272 PolarHBondContact O-N 2.9Å; L268-S272 PolarHBondContact O-OG 3.19Å; G269-S272 PolarHBondContact O-OG 3.04Å; G269-S272 VanDerWaalsContact O-OG 3.08Å; L270-S272 VanDerWaalsContact C-N 3.28Å; L270-S272 PolarHBondContact O-N 2.79Å; S272-G274 PolarHBondContact O-N 3.25Å; S272-G274 VanDerWaalsContact O-N 3.11Å; S272-C275 WeakPolarHBondContact O-CA 3.32Å; S272-C275 WeakPolarHBondContact O-CB 3.15Å; S272-C275 PolarHBondContact O-N 2.92Å
273N81.8Confident84Confident88 Ų8833.1 Ų33.147%0.47118%0.177SC..THydrogen-bonded Turntrans49.833.1-174.3-166.833.9000113.5A227 L270A227-N273 WeakPolarHBondContact CB-OD1 3.38Å; L270-N273 PolarHBondContact O-N 2.96Å
274G81.6Confident84.5Confident3 Ų329.6 Ų29.63%0.03116%0.162CC..THydrogen-bonded Turntrans80.48.2-175.400000115.7R15 S272 F276R15-G274 PolarHBondContact NH2-O 3.03Å; S272-G274 PolarHBondContact O-N 3.25Å; S272-G274 VanDerWaalsContact O-N 3.11Å; G274-F276 PolarHBondContact O-N 3.23Å
275C88.7Confident85.1Confident15 Ų1529.6 Ų29.610%0.10116%0.162CC..  trans-83.3100174.2-167.80000110.9P39 S272 L277 Y278 L279P39-C275 PolarHBondContact O-SG 2.97Å; P39-C275 VanDerWaalsContact O-SG 3.37Å; S272-C275 WeakPolarHBondContact O-CA 3.32Å; S272-C275 WeakPolarHBondContact O-CB 3.15Å; S272-C275 PolarHBondContact O-N 2.92Å; C275-L277 VanDerWaalsContact C-N 3.26Å; C275-L277 PolarHBondContact O-N 2.99Å; C275-Y278 WeakPolarHBondContact O-CB 3.45Å; C275-Y278 PolarHBondContact O-N 3.07Å; C275-Y278 VanDerWaalsContact O-N 3.16Å; C275-L279 PolarHBondContact O-N 2.75Å
276F89.4Confident85.3Confident5 Ų528.9 Ų28.92%0.02216%0.158CC..Hα-helixtrans-61.9-33.2177.5-83.9-109000112.7F12 I13 G40 D235 V236 Y239 G274 Y278 L279 E280F12-F276 HydrophobicContact CE2-CB 4.35Å; F12-F276 AromaticContact CE2-CD1 3.5Å; F12-F276 HydrophobicContact CE2-CD1 3.5Å; F12-F276 VanDerWaalsContact CE2-CD1 3.5Å; F12-F276 HydrophobicContact CE2-CE1 4.01Å; F12-F276 HydrophobicContact CE2-CG 4.02Å; F12-F276 AromaticContact CZ-CD1 3.66Å; F12-F276 HydrophobicContact CZ-CD1 3.66Å; F12-F276 AromaticContact CZ-CE1 3.79Å; F12-F276 HydrophobicContact CZ-CE1 3.79Å; F12-F276 HydrophobicContact CZ-CG 4.09Å; F12-F276 HydrophobicContact CZ-CZ 4.36Å; I13-F276 WeakPolarHBondContact O-CE1 3.45Å; G40-F276 PolarHBondContact O-N 3.4Å; D235-F276 HydrophobicContact CB-CZ 4.15Å; V236-F276 HydrophobicContact CG2-CE2 3.82Å; V236-F276 HydrophobicContact CG2-CZ 4.24Å; Y239-F276 HydrophobicContact CD1-CD1 4.03Å; Y239-F276 HydrophobicContact CD1-CE1 4.15Å; Y239-F276 AromaticContact CD2-CD1 3.92Å; Y239-F276 HydrophobicContact CD2-CD1 3.92Å; Y239-F276 AromaticContact CD2-CE1 3.78Å; Y239-F276 HydrophobicContact CD2-CE1 3.78Å; Y239-F276 HydrophobicContact CE1-CD1 4.32Å; Y239-F276 HydrophobicContact CE2-CD1 4.21Å; Y239-F276 AromaticContact CG-CD1 3.83Å; Y239-F276 HydrophobicContact CG-CD1 3.83Å; Y239-F276 AromaticContact CG-CE1 3.57Å; Y239-F276 HydrophobicContact CG-CE1 3.57Å; G274-F276 PolarHBondContact O-N 3.23Å; F276-Y278 VanDerWaalsContact C-N 3.31Å; F276-Y278 PolarHBondContact O-N 3.15Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.33Å; F276-E280 WeakPolarHBondContact O-CB 3.44Å; F276-E280 PolarHBondContact O-N 3.41Å
277L90Very high85.3Confident17 Ų1728 Ų289%0.08915%0.146CC..Hα-helixtrans-63-35.9175.6-172.868.7000112.8G40 C275 E280 L281 L303 F379 H380G40-L277 PolarHBondContact O-N 2.99Å; C275-L277 VanDerWaalsContact C-N 3.26Å; C275-L277 PolarHBondContact O-N 2.99Å; L277-E280 PolarHBondContact O-N 2.85Å; L277-L281 HydrophobicContact CG-CD1 4.14Å; L277-L281 HydrophobicContact CG-CG 4.47Å; L277-L281 WeakPolarHBondContact O-CB 3.5Å; L277-L281 VanDerWaalsContact O-CG 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.41Å; L277-L281 PolarHBondContact O-N 3.42Å; L277-L303 HydrophobicContact CD2-CD1 4.33Å; L277-F379 HydrophobicContact CD1-CD2 4.43Å; L277-F379 HydrophobicContact CD1-CE2 4.04Å; L277-F379 HydrophobicContact CD2-CE2 4.2Å; L277-F379 HydrophobicContact CG-CE2 4.37Å; L277-H380 HydrophobicContact CD2-CB 3.88Å; L277-H380 VanDerWaalsContact CD2-CG 3.42Å; L277-H380 VanDerWaalsContact CD2-ND1 3.32Å; L277-H380 WeakPolarHBondContact CD2-ND1 3.43Å
278Y91.5Very high85.1Confident2 Ų228.8 Ų28.81%0.00815%0.151CC..Hα-helixtrans-63.6-45.9175.9179.3-85.8000110.7K271 C275 F276 I282 P300 L306K271-Y278 HydrophobicContact CB-CE1 3.85Å; C275-Y278 WeakPolarHBondContact O-CB 3.45Å; C275-Y278 PolarHBondContact O-N 3.07Å; C275-Y278 VanDerWaalsContact O-N 3.16Å; F276-Y278 VanDerWaalsContact C-N 3.31Å; F276-Y278 PolarHBondContact O-N 3.15Å; Y278-I282 HydrophobicContact CD1-CD1 3.83Å; Y278-I282 HydrophobicContact CE1-CD1 3.29Å; Y278-I282 HydrophobicContact CE2-CD1 4.04Å; Y278-I282 HydrophobicContact CG-CD1 4.4Å; Y278-I282 WeakPolarHBondContact O-CG1 3.15Å; Y278-I282 PolarHBondContact O-N 3.23Å; Y278-I282 VanDerWaalsContact O-N 3.13Å; Y278-P300 VanDerWaalsContact CE2-O 3.22Å; Y278-P300 WeakPolarHBondContact CE2-O 3.45Å; Y278-P300 PolarHBondContact OH-O 2.96Å; Y278-L306 HydrophobicContact CD2-CB 3.99Å; Y278-L306 HydrophobicContact CD2-CD2 3.54Å; Y278-L306 HydrophobicContact CD2-CG 4.37Å; Y278-L306 HydrophobicContact CE2-CB 3.87Å; Y278-L306 HydrophobicContact CE2-CD2 4.02Å; Y278-L306 HydrophobicContact CE2-CG 4.46Å; Y278-L306 HydrophobicContact CG-CD2 4.05Å
279L89.2Confident84.9Confident0 Ų031.8 Ų31.80%018%0.182CC..Hα-helixtrans-63-46.1175.2-59.3172.2000111.6V236 Y239 V240 L268 C275 F276 L281 I282 L283V236-L279 HydrophobicContact CG1-CD1 3.88Å; V236-L279 HydrophobicContact CG2-CD1 4.41Å; Y239-L279 HydrophobicContact CD1-CB 4.04Å; Y239-L279 HydrophobicContact CD1-CD1 3.86Å; Y239-L279 HydrophobicContact CE1-CB 3.83Å; Y239-L279 HydrophobicContact CE1-CD1 4.44Å; V240-L279 HydrophobicContact CG2-CD1 4.06Å; V240-L279 HydrophobicContact CG2-CD2 3.74Å; V240-L279 HydrophobicContact CG2-CG 4.38Å; L268-L279 HydrophobicContact CB-CD2 3.73Å; C275-L279 PolarHBondContact O-N 2.75Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.33Å; L279-L281 PolarHBondContact O-N 2.96Å; L279-I282 PolarHBondContact O-N 3.2Å; L279-L283 HydrophobicContact CB-CD1 4.42Å; L279-L283 VanDerWaalsContact O-CB 3.26Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 WeakPolarHBondContact O-CD1 3.25Å; L279-L283 WeakPolarHBondContact O-CG 3.3Å; L279-L283 PolarHBondContact O-N 3.26Å
280E88.7Confident84.9Confident39 Ų3933.6 Ų33.618%0.18219%0.186CC..Hα-helixtrans-58.8-49-179.3-176.5171.6-159.400111.6K10 F276 L277 D284K10-E280 WeakPolarHBondContact CE-OE1 3.46Å; K10-E280 IonicContact NZ-OE1 3.44Å; K10-E280 PolarHBondContact NZ-OE1 2.93Å; F276-E280 WeakPolarHBondContact O-CB 3.44Å; F276-E280 PolarHBondContact O-N 3.41Å; L277-E280 PolarHBondContact O-N 2.85Å; E280-D284 WeakPolarHBondContact O-CB 3.25Å; E280-D284 PolarHBondContact O-N 3.07Å
281L89.5Confident85Confident19 Ų1927.3 Ų27.310%0.09915%0.153CC..Hα-helixtrans-63.8-43.6178.3-72.7171.4000112.9L277 L279 A285 L306 Y307 M310 F379L277-L281 HydrophobicContact CG-CD1 4.14Å; L277-L281 HydrophobicContact CG-CG 4.47Å; L277-L281 WeakPolarHBondContact O-CB 3.5Å; L277-L281 VanDerWaalsContact O-CG 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.41Å; L277-L281 PolarHBondContact O-N 3.42Å; L279-L281 PolarHBondContact O-N 2.96Å; L281-A285 VanDerWaalsContact O-CB 3.25Å; L281-A285 WeakPolarHBondContact O-CB 3.29Å; L281-A285 PolarHBondContact O-N 2.96Å; L281-L306 HydrophobicContact CB-CD2 3.94Å; L281-L306 HydrophobicContact CD1-CD2 3.83Å; L281-Y307 HydrophobicContact CD1-CE1 3.94Å; L281-M310 HydrophobicContact CB-SD 4.22Å; L281-M310 HydrophobicContact CD1-SD 4.08Å; L281-M310 HydrophobicContact CD2-CE 4.1Å; L281-M310 HydrophobicContact CD2-SD 4.09Å; L281-M310 HydrophobicContact CG-SD 4.37Å; L281-F379 HydrophobicContact CD1-CE2 3.84Å; L281-F379 HydrophobicContact CD1-CZ 3.95Å; L281-F379 HydrophobicContact CD2-CD2 4.38Å; L281-F379 HydrophobicContact CD2-CE2 3.79Å; L281-F379 HydrophobicContact CD2-CZ 4.23Å; L281-F379 HydrophobicContact CG-CE2 4.23Å
282I89.1Confident84.6Confident1 Ų128.4 Ų28.41%0.00517%0.165CC..Hα-helixtrans-70-43.5179.6-69176.5000111.1L268 Y278 L279 D284 A285 V286 A296 V299 L306L268-I282 HydrophobicContact CD2-CD1 4.23Å; L268-I282 HydrophobicContact CD2-CG2 4.05Å; Y278-I282 HydrophobicContact CD1-CD1 3.83Å; Y278-I282 HydrophobicContact CE1-CD1 3.29Å; Y278-I282 HydrophobicContact CE2-CD1 4.04Å; Y278-I282 HydrophobicContact CG-CD1 4.4Å; Y278-I282 WeakPolarHBondContact O-CG1 3.15Å; Y278-I282 PolarHBondContact O-N 3.23Å; Y278-I282 VanDerWaalsContact O-N 3.13Å; L279-I282 PolarHBondContact O-N 3.2Å; I282-D284 VanDerWaalsContact C-N 3.34Å; I282-D284 PolarHBondContact O-N 3.2Å; I282-A285 CarbonylContact O-C 3.55Å; I282-A285 PolarHBondContact O-N 2.82Å; I282-A285 VanDerWaalsContact O-N 3.13Å; I282-V286 HydrophobicContact CG2-CG2 4.37Å; I282-V286 WeakPolarHBondContact O-CG2 3.41Å; I282-V286 PolarHBondContact O-N 3.21Å; I282-A296 HydrophobicContact CG2-CB 4.47Å; I282-V299 HydrophobicContact CD1-CB 4.17Å; I282-V299 HydrophobicContact CD1-CG1 3.66Å; I282-V299 HydrophobicContact CG1-CG1 4.19Å; I282-L306 HydrophobicContact CD1-CD1 4.17Å; I282-L306 HydrophobicContact CD1-CD2 4.47Å; I282-L306 HydrophobicContact CG1-CD1 3.75Å; I282-L306 HydrophobicContact CG1-CD2 4.18Å
283L85.7Confident84Confident8 Ų830.5 Ų30.54%0.04217%0.174CC..Hα-helixtrans-68.6-33.6-180-66.5168.1000111.8Y239 V240 R243 L244 L268 L279 R287Y239-L283 HydrophobicContact CE1-CD1 4.38Å; V240-L283 HydrophobicContact CG1-CD1 4.36Å; V240-L283 HydrophobicContact CG1-CD2 4.38Å; V240-L283 HydrophobicContact CG2-CD1 4.43Å; R243-L283 HydrophobicContact CB-CD1 3.83Å; R243-L283 HydrophobicContact CG-CD1 4.46Å; L244-L283 HydrophobicContact CD2-CD2 3.95Å; L244-L283 HydrophobicContact CG-CD2 4.42Å; L268-L283 HydrophobicContact CD1-CD2 4.01Å; L268-L283 HydrophobicContact CD1-CG 4.47Å; L279-L283 HydrophobicContact CB-CD1 4.42Å; L279-L283 VanDerWaalsContact O-CB 3.26Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 WeakPolarHBondContact O-CD1 3.25Å; L279-L283 WeakPolarHBondContact O-CG 3.3Å; L279-L283 PolarHBondContact O-N 3.26Å; L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.45Å; L283-R287 PolarHBondContact O-N 3.12Å
284D85.1Confident83.6Confident35 Ų3531.6 Ų31.619%0.18718%0.18CC..Hα-helixtrans-69.4-35.2169-90.235.1000112.5R243 E280 I282 R287 D288R243-D284 IonicContact CZ-OD1 3.21Å; R243-D284 IonicContact NH1-OD1 2.69Å; R243-D284 IonicContact NH2-OD1 3.37Å; R243-D284 PolarHBondContact NH2-OD1 2.88Å; E280-D284 WeakPolarHBondContact O-CB 3.25Å; E280-D284 PolarHBondContact O-N 3.07Å; I282-D284 VanDerWaalsContact C-N 3.34Å; I282-D284 PolarHBondContact O-N 3.2Å; D284-R287 VanDerWaalsContact CG-CZ 3.48Å; D284-R287 IonicContact OD1-CZ 3.55Å; D284-R287 IonicContact OD1-NH1 2.98Å; D284-R287 PolarHBondContact OD1-NH1 3.01Å; D284-R287 IonicContact OD1-NH2 2.98Å; D284-R287 IonicContact OD2-CZ 2.68Å; D284-R287 IonicContact OD2-NH1 3.39Å; D284-R287 PolarHBondContact OD2-NH1 3.38Å; D284-R287 VanDerWaalsContact OD2-NH1 3.11Å; D284-R287 IonicContact OD2-NH2 2.62Å; D284-R287 PolarHBondContact OD2-NH2 3.41Å; D284-D288 WeakPolarHBondContact O-CB 3.17Å; D284-D288 PolarHBondContact O-N 3.5Å; D284-D288 VanDerWaalsContact O-N 3.1Å
285A84.7Confident83.6Confident2 Ų237.5 Ų37.52%0.01720%0.201CC..Hα-helixtrans-69.8-33.217500000112.9L281 I282 G289 L290 V291L281-A285 VanDerWaalsContact O-CB 3.25Å; L281-A285 WeakPolarHBondContact O-CB 3.29Å; L281-A285 PolarHBondContact O-N 2.96Å; I282-A285 CarbonylContact O-C 3.55Å; I282-A285 PolarHBondContact O-N 2.82Å; I282-A285 VanDerWaalsContact O-N 3.13Å; A285-G289 PolarHBondContact O-N 3.13Å; A285-L290 HydrophobicContact CB-CB 4.23Å; A285-L290 HydrophobicContact CB-CD1 4.48Å; A285-L290 PolarHBondContact O-N 2.85Å; A285-V291 HydrophobicContact CB-CG2 4Å; A285-V291 PolarHBondContact O-N 2.99Å
286V81.4Confident82.9Confident13 Ų1336.8 Ų36.88%0.07920%0.196CC..Hα-helixtrans-72.5-49.3172.6170.10000110.8F250 I282 D288 G289 V291 F293 A296F250-V286 HydrophobicContact CE1-CG1 3.83Å; F250-V286 HydrophobicContact CZ-CG1 4.04Å; I282-V286 HydrophobicContact CG2-CG2 4.37Å; I282-V286 WeakPolarHBondContact O-CG2 3.41Å; I282-V286 PolarHBondContact O-N 3.21Å; V286-D288 PolarHBondContact O-N 3.27Å; V286-G289 PolarHBondContact O-N 3.41Å; V286-G289 VanDerWaalsContact O-N 3.12Å; V286-V291 HydrophobicContact CG2-CB 4.13Å; V286-F293 HydrophobicContact CG1-CD2 4.2Å; V286-A296 HydrophobicContact CG2-CB 4.36Å
287R80Confident82.5Confident90 Ų9041.7 Ų41.734%0.3422%0.218SC..Hα-helixtrans-53-40.2176.8-177.1-166.267-132.5-12.9111.9A249 L283 D284A249-R287 HydrophobicContact CB-CG 4.41Å; L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.45Å; L283-R287 PolarHBondContact O-N 3.12Å; D284-R287 VanDerWaalsContact CG-CZ 3.48Å; D284-R287 IonicContact OD1-CZ 3.55Å; D284-R287 IonicContact OD1-NH1 2.98Å; D284-R287 PolarHBondContact OD1-NH1 3.01Å; D284-R287 IonicContact OD1-NH2 2.98Å; D284-R287 IonicContact OD2-CZ 2.68Å; D284-R287 IonicContact OD2-NH1 3.39Å; D284-R287 PolarHBondContact OD2-NH1 3.38Å; D284-R287 VanDerWaalsContact OD2-NH1 3.11Å; D284-R287 IonicContact OD2-NH2 2.62Å; D284-R287 PolarHBondContact OD2-NH2 3.41Å
288D78.7Confident82.2Confident68 Ų6845.2 Ų45.236%0.36423%0.234SC..THydrogen-bonded Turntrans-98.414.5-175-55-19.5000113.6D284 V286 L290 R367D284-D288 WeakPolarHBondContact O-CB 3.17Å; D284-D288 PolarHBondContact O-N 3.5Å; D284-D288 VanDerWaalsContact O-N 3.1Å; V286-D288 PolarHBondContact O-N 3.27Å; D288-L290 PolarHBondContact O-N 3.23Å; D288-R367 VanDerWaalsContact CG-NH2 3.31Å; D288-R367 IonicContact OD2-CZ 3.67Å; D288-R367 IonicContact OD2-NH1 3.17Å; D288-R367 PolarHBondContact OD2-NH1 3.18Å; D288-R367 IonicContact OD2-NH2 3.84Å; D288-R367 PolarHBondContact OD2-NH2 3.34Å
289G78.8Confident81.9Confident62 Ų6245.1 Ų45.164%0.63923%0.233SC*.THydrogen-bonded Turntrans75.911.8167.500000117.4A285 V286 V291A285-G289 PolarHBondContact O-N 3.13Å; V286-G289 PolarHBondContact O-N 3.41Å; V286-G289 VanDerWaalsContact O-N 3.12Å; G289-V291 PolarHBondContact O-N 3.18Å
290L79.7Confident81.8Confident61 Ų6147.6 Ų47.632%0.31925%0.249SC..SBendtrans-73.7-16.1172.8-66.3-178000113.2A285 D288 R313 L314 R367A285-L290 HydrophobicContact CB-CB 4.23Å; A285-L290 HydrophobicContact CB-CD1 4.48Å; A285-L290 PolarHBondContact O-N 2.85Å; D288-L290 PolarHBondContact O-N 3.23Å; L290-R313 PolarHBondContact O-NH1 2.95Å; L290-R313 VanDerWaalsContact O-NH1 3.09Å; L290-L314 HydrophobicContact CD1-CD2 3.79Å; L290-L314 HydrophobicContact CD2-CD2 4.49Å; L290-R367 VanDerWaalsContact CD1-CD 3.49Å; L290-R367 VanDerWaalsContact CD1-NE 3.3Å
291V81.9Confident81.6Confident5 Ų547.8 Ų47.83%0.0326%0.262CS..SBendtrans-141.7131.2174.9-148.40000107.1A285 V286 G289 R295 W309A285-V291 HydrophobicContact CB-CG2 4Å; A285-V291 PolarHBondContact O-N 2.99Å; V286-V291 HydrophobicContact CG2-CB 4.13Å; G289-V291 PolarHBondContact O-N 3.18Å; V291-R295 HydrophobicContact CG1-CB 3.72Å; V291-R295 WeakPolarHBondContact CG1-O 3.27Å; V291-W309 HydrophobicContact CG1-CZ2 4.35Å; V291-W309 HydrophobicContact CG2-CH2 3.36Å; V291-W309 HydrophobicContact CG2-CZ2 3.62Å
292S76.3Confident81.5Confident60 Ų6051 Ų5142%0.4228%0.282SS..  trans-6715716063.80000109.3D294 R295 A296S292-D294 PolarHBondContact O-N 3.03Å; S292-R295 PolarHBondContact O-N 2.89Å; S292-R295 WeakPolarHBondContact OG-CG 3.24Å; S292-A296 PolarHBondContact O-N 2.93Å
293F71.7Confident81.5Confident48 Ų4852.2 Ų52.221%0.21129%0.289CS..THydrogen-bonded Turntrans-52.5-43.8-177.5-162.5-94000112.1L244 F250 G260 Q261 L264 V286 R295 A296L244-F293 HydrophobicContact CD2-CE2 3.93Å; F250-F293 HydrophobicContact CE1-CD2 4.04Å; F250-F293 HydrophobicContact CE1-CE2 4.26Å; G260-F293 WeakPolarHBondContact O-CE1 3.3Å; Q261-F293 HydrophobicContact CG-CE2 4.48Å; Q261-F293 HydrophobicContact CG-CZ 3.82Å; L264-F293 HydrophobicContact CB-CE1 3.9Å; L264-F293 HydrophobicContact CB-CZ 3.91Å; L264-F293 HydrophobicContact CD2-CD1 4.16Å; L264-F293 HydrophobicContact CD2-CD2 3.9Å; L264-F293 HydrophobicContact CD2-CE1 3.7Å; L264-F293 HydrophobicContact CD2-CE2 3.42Å; L264-F293 VanDerWaalsContact CD2-CE2 3.42Å; L264-F293 HydrophobicContact CD2-CG 4.25Å; L264-F293 HydrophobicContact CD2-CZ 3.31Å; L264-F293 HydrophobicContact CG-CE1 4.38Å; L264-F293 HydrophobicContact CG-CZ 4.22Å; V286-F293 HydrophobicContact CG1-CD2 4.2Å; F293-R295 PolarHBondContact O-N 3.08Å; F293-A296 VanDerWaalsContact O-CB 3.27Å; F293-A296 WeakPolarHBondContact O-CB 3.5Å; F293-A296 PolarHBondContact O-N 3.1Å
294D74.2Confident81.7Confident111 Ų11154.1 Ų54.159%0.59430%0.299SS*.G310 helixtrans-66.2-38.6179.6-36.2-78.7000112.1S292 A296 K297S292-D294 PolarHBondContact O-N 3.03Å; D294-A296 PolarHBondContact O-N 3.07Å; D294-K297 WeakPolarHBondContact O-CB 3.46Å; D294-K297 VanDerWaalsContact O-CG 3.24Å; D294-K297 WeakPolarHBondContact O-CG 3.34Å; D294-K297 PolarHBondContact O-N 2.94Å
295R80.8Confident82Confident127 Ų12753.1 Ų53.148%0.47930%0.297SS..G310 helixtrans-76.8-5.2-178.4-64.6-171.678.4165.713.3112.9V291 S292 F293 K297 E298V291-R295 HydrophobicContact CG1-CB 3.72Å; V291-R295 WeakPolarHBondContact CG1-O 3.27Å; S292-R295 PolarHBondContact O-N 2.89Å; S292-R295 WeakPolarHBondContact OG-CG 3.24Å; F293-R295 PolarHBondContact O-N 3.08Å; R295-K297 PolarHBondContact O-N 2.87Å; R295-E298 HydrophobicContact CB-CG 4.31Å; R295-E298 IonicContact CZ-OE1 2.8Å; R295-E298 IonicContact CZ-OE2 2.68Å; R295-E298 IonicContact NE-OE1 2.71Å; R295-E298 PolarHBondContact NE-OE1 3.28Å; R295-E298 IonicContact NE-OE2 3.02Å; R295-E298 PolarHBondContact NE-OE2 3.03Å; R295-E298 IonicContact NH2-OE1 3.09Å; R295-E298 PolarHBondContact NH2-OE1 3.46Å; R295-E298 IonicContact NH2-OE2 3.96Å; R295-E298 PolarHBondContact NH2-OE2 2.85Å; R295-E298 VanDerWaalsContact O-CB 3.29Å; R295-E298 WeakPolarHBondContact O-CB 3.47Å; R295-E298 WeakPolarHBondContact O-CG 3.48Å; R295-E298 PolarHBondContact O-N 3.06Å
296A75.6Confident82.3Confident0 Ų053 Ų530%030%0.296CS..G310 helixtrans-61.1-23.916300000111.8L264 K271 I282 V286 S292 F293 D294 E298 V299L264-A296 HydrophobicContact CD1-CB 3.79Å; K271-A296 PolarHBondContact NZ-O 3.34Å; I282-A296 HydrophobicContact CG2-CB 4.47Å; V286-A296 HydrophobicContact CG2-CB 4.36Å; S292-A296 PolarHBondContact O-N 2.93Å; F293-A296 VanDerWaalsContact O-CB 3.27Å; F293-A296 WeakPolarHBondContact O-CB 3.5Å; F293-A296 PolarHBondContact O-N 3.1Å; D294-A296 PolarHBondContact O-N 3.07Å; A296-E298 PolarHBondContact O-N 3.17Å; A296-V299 PolarHBondContact O-N 2.86Å
297K80Confident82.8Confident107 Ų10752.4 Ų52.447%0.46529%0.293SS..G310 helixtrans-62.9-23.8171.5-59.2-175.5175.8-177.70112.7E263 L267 K271 D294 R295E263-K297 IonicContact OE2-NZ 2.66Å; E263-K297 PolarHBondContact OE2-NZ 2.98Å; L267-K297 HydrophobicContact CD2-CB 4.06Å; L267-K297 HydrophobicContact CD2-CG 3.68Å; K271-K297 PolarHBondContact NZ-O 3.13Å; D294-K297 WeakPolarHBondContact O-CB 3.46Å; D294-K297 VanDerWaalsContact O-CG 3.24Å; D294-K297 WeakPolarHBondContact O-CG 3.34Å; D294-K297 PolarHBondContact O-N 2.94Å; R295-K297 PolarHBondContact O-N 2.87Å
298E83.8Confident83.3Confident91 Ų9151 Ų5143%0.42529%0.292SS..G310 helixtrans-77.4-22.5176.4-54.5176.1157.300114.3R295 A296 R313R295-E298 HydrophobicContact CB-CG 4.31Å; R295-E298 IonicContact CZ-OE1 2.8Å; R295-E298 IonicContact CZ-OE2 2.68Å; R295-E298 IonicContact NE-OE1 2.71Å; R295-E298 PolarHBondContact NE-OE1 3.28Å; R295-E298 IonicContact NE-OE2 3.02Å; R295-E298 PolarHBondContact NE-OE2 3.03Å; R295-E298 IonicContact NH2-OE1 3.09Å; R295-E298 PolarHBondContact NH2-OE1 3.46Å; R295-E298 IonicContact NH2-OE2 3.96Å; R295-E298 PolarHBondContact NH2-OE2 2.85Å; R295-E298 VanDerWaalsContact O-CB 3.29Å; R295-E298 WeakPolarHBondContact O-CB 3.47Å; R295-E298 WeakPolarHBondContact O-CG 3.48Å; R295-E298 PolarHBondContact O-N 3.06Å; A296-E298 PolarHBondContact O-N 3.17Å; E298-R313 IonicContact OE2-NH2 3.33Å; E298-R313 PolarHBondContact OE2-NH2 2.67Å
299V84.9Confident83.9Confident1 Ų149.4 Ų49.41%0.00628%0.28CS..SBendtrans-70.5132-165.9-175.10000111.1K271 I282 A296 L306 W309K271-V299 WeakPolarHBondContact CE-O 3.5Å; K271-V299 PolarHBondContact NZ-O 3.35Å; I282-V299 HydrophobicContact CD1-CB 4.17Å; I282-V299 HydrophobicContact CD1-CG1 3.66Å; I282-V299 HydrophobicContact CG1-CG1 4.19Å; A296-V299 PolarHBondContact O-N 2.86Å; V299-L306 HydrophobicContact CG1-CD1 3.68Å; V299-W309 HydrophobicContact CG1-CD2 4.24Å; V299-W309 HydrophobicContact CG1-CE3 4.35Å; V299-W309 HydrophobicContact CG2-CD2 4.46Å; V299-W309 HydrophobicContact CG2-CH2 4.3Å; V299-W309 HydrophobicContact CG2-CZ2 3.76Å
300P87.6Confident84.4Confident51 Ų5146.7 Ų46.733%0.33125%0.251SS..  trans-59.6137.8-177-26.835.5000113.5Y278 T302 W309Y278-P300 VanDerWaalsContact CE2-O 3.22Å; Y278-P300 WeakPolarHBondContact CE2-O 3.45Å; Y278-P300 PolarHBondContact OH-O 2.96Å; P300-T302 PolarHBondContact O-N 2.97Å; P300-W309 HydrophobicContact CG-CB 4.35Å
301G83.8Confident84.9Confident44 Ų4443.8 Ų43.845%0.45424%0.236SC..SBendtrans-76.432.2-17700000116.2K271K271-G301 CarbonylContact O-C 3.49Å
302T87.3Confident85.2Confident85 Ų8547.5 Ų47.552%0.52126%0.256SS..SBendtrans-142.3153.2174.1660000110.8P300 N304 G305 L306P300-T302 PolarHBondContact O-N 2.97Å; T302-N304 VanDerWaalsContact C-N 3.33Å; T302-N304 PolarHBondContact O-N 3.34Å; T302-G305 PolarHBondContact O-N 3.18Å; T302-G305 PolarHBondContact OG1-N 3.08Å; T302-G305 VanDerWaalsContact OG1-N 3.08Å; T302-L306 WeakPolarHBondContact O-CB 3.47Å; T302-L306 PolarHBondContact O-N 3.45Å
303L88.6Confident85.7Confident28 Ų2849.1 Ų49.115%0.14725%0.252CS..Hα-helixtrans-62.3-39.2179.7-169.562000112.3P39 L277 L306 Y307P39-L303 HydrophobicContact CB-CD2 4.45Å; L277-L303 HydrophobicContact CD2-CD1 4.33Å; L303-L306 HydrophobicContact CD1-CD2 4.46Å; L303-L306 PolarHBondContact O-N 3.29Å; L303-Y307 HydrophobicContact CD1-CD1 4.45Å; L303-Y307 HydrophobicContact CD1-CE1 3.64Å; L303-Y307 HydrophobicContact CD2-CE2 4.35Å; L303-Y307 HydrophobicContact CG-CE1 3.93Å; L303-Y307 HydrophobicContact CG-CE2 3.89Å; L303-Y307 WeakPolarHBondContact O-CD1 3.47Å; L303-Y307 PolarHBondContact O-N 3.22Å
304N91.1Very high86.4Confident47 Ų4748 Ų4825%0.25125%0.248SC..Hα-helixtrans-67.7-39.7175.6-65.4-5.2000112T302 Y307 L308 H392T302-N304 VanDerWaalsContact C-N 3.33Å; T302-N304 PolarHBondContact O-N 3.34Å; N304-Y307 PolarHBondContact O-N 3.48Å; N304-L308 PolarHBondContact O-N 3.08Å; N304-H392 HydrophobicContact CB-CB 4.45Å; N304-H392 WeakPolarHBondContact ND2-CB 3.14Å; N304-H392 PolarHBondContact ND2-CD2 2.92Å; N304-H392 VanDerWaalsContact ND2-CD2 3.34Å; N304-H392 VanDerWaalsContact ND2-CG 3.31Å
305G90.3Very high86.9Confident14 Ų1443 Ų4314%0.14422%0.222CC..Hα-helixtrans-67-36.9175.100000112.8T302 L308 W309T302-G305 PolarHBondContact O-N 3.18Å; T302-G305 PolarHBondContact OG1-N 3.08Å; T302-G305 VanDerWaalsContact OG1-N 3.08Å; G305-L308 PolarHBondContact O-N 2.95Å; G305-W309 VanDerWaalsContact O-CB 3.3Å; G305-W309 WeakPolarHBondContact O-CB 3.33Å; G305-W309 PolarHBondContact O-N 3.11Å
306L91.1Very high86.7Confident1 Ų138.2 Ų38.21%0.00521%0.212CC..Hα-helixtrans-62.6-44.1170.8174.563.4000111.3Y278 L281 I282 V299 T302 L303 W309 M310Y278-L306 HydrophobicContact CD2-CB 3.99Å; Y278-L306 HydrophobicContact CD2-CD2 3.54Å; Y278-L306 HydrophobicContact CD2-CG 4.37Å; Y278-L306 HydrophobicContact CE2-CB 3.87Å; Y278-L306 HydrophobicContact CE2-CD2 4.02Å; Y278-L306 HydrophobicContact CE2-CG 4.46Å; Y278-L306 HydrophobicContact CG-CD2 4.05Å; L281-L306 HydrophobicContact CB-CD2 3.94Å; L281-L306 HydrophobicContact CD1-CD2 3.83Å; I282-L306 HydrophobicContact CD1-CD1 4.17Å; I282-L306 HydrophobicContact CD1-CD2 4.47Å; I282-L306 HydrophobicContact CG1-CD1 3.75Å; I282-L306 HydrophobicContact CG1-CD2 4.18Å; V299-L306 HydrophobicContact CG1-CD1 3.68Å; T302-L306 WeakPolarHBondContact O-CB 3.47Å; T302-L306 PolarHBondContact O-N 3.45Å; L303-L306 HydrophobicContact CD1-CD2 4.46Å; L303-L306 PolarHBondContact O-N 3.29Å; L306-W309 HydrophobicContact CD1-CE3 3.82Å; L306-W309 HydrophobicContact CD1-CZ3 4.05Å; L306-W309 PolarHBondContact O-N 3.47Å; L306-M310 HydrophobicContact CD1-CG 3.99Å; L306-M310 HydrophobicContact CD1-SD 4.27Å; L306-M310 HydrophobicContact CG-CG 4.35Å; L306-M310 HydrophobicContact CG-SD 4.25Å; L306-M310 WeakPolarHBondContact O-CB 3.34Å; L306-M310 VanDerWaalsContact O-CG 3.31Å; L306-M310 WeakPolarHBondContact O-CG 3.33Å; L306-M310 PolarHBondContact O-N 3.22Å
307Y93Very high86.5Confident0 Ų046.4 Ų46.40%026%0.256CS..Hα-helixtrans-62.3-42.6176.9-64.5-17.7000112.5L281 L303 N304 M310 C311 F379 S382 F383 W386L281-Y307 HydrophobicContact CD1-CE1 3.94Å; L303-Y307 HydrophobicContact CD1-CD1 4.45Å; L303-Y307 HydrophobicContact CD1-CE1 3.64Å; L303-Y307 HydrophobicContact CD2-CE2 4.35Å; L303-Y307 HydrophobicContact CG-CE1 3.93Å; L303-Y307 HydrophobicContact CG-CE2 3.89Å; L303-Y307 WeakPolarHBondContact O-CD1 3.47Å; L303-Y307 PolarHBondContact O-N 3.22Å; N304-Y307 PolarHBondContact O-N 3.48Å; Y307-M310 PolarHBondContact O-N 3.31Å; Y307-C311 WeakPolarHBondContact O-CB 3.17Å; Y307-C311 PolarHBondContact O-N 2.97Å; Y307-C311 PolarHBondContact O-SG 2.91Å; Y307-F379 HydrophobicContact CD1-CZ 4.42Å; Y307-F379 AromaticContact CE1-CZ 3.68Å; Y307-F379 HydrophobicContact CE1-CZ 3.68Å; Y307-S382 PolarHBondContact OH-OG 3.03Å; Y307-F383 HydrophobicContact CD1-CD2 4.16Å; Y307-F383 HydrophobicContact CD2-CB 4.43Å; Y307-F383 AromaticContact CD2-CD2 3.87Å; Y307-F383 HydrophobicContact CD2-CD2 3.87Å; Y307-F383 HydrophobicContact CE2-CB 3.95Å; Y307-F383 HydrophobicContact CE2-CD2 4.24Å; Y307-F383 AromaticContact CG-CD2 3.8Å; Y307-F383 HydrophobicContact CG-CD2 3.8Å; Y307-F383 HydrophobicContact CG-CE2 4.47Å; Y307-W386 HydrophobicContact CD2-CB 3.77Å; Y307-W386 HydrophobicContact CD2-CD2 4.1Å; Y307-W386 HydrophobicContact CD2-CE3 4.49Å; Y307-W386 AromaticContact CD2-CG 3.78Å; Y307-W386 HydrophobicContact CD2-CG 3.78Å; Y307-W386 HydrophobicContact CE2-CB 4.24Å; Y307-W386 HydrophobicContact CG-CD2 4.48Å
308L91.1Very high86.3Confident61 Ų6142.7 Ų42.732%0.31924%0.243SC..Hα-helixtrans-59.9-51.6174.4-179.160.6000111.4N304 G305 M310 C311 D312 W386 T394 Y397N304-L308 PolarHBondContact O-N 3.08Å; G305-L308 PolarHBondContact O-N 2.95Å; L308-M310 VanDerWaalsContact C-N 3.33Å; L308-M310 PolarHBondContact O-N 2.72Å; L308-C311 PolarHBondContact O-N 3.48Å; L308-D312 PolarHBondContact O-N 3.3Å; L308-W386 HydrophobicContact CB-CZ2 3.92Å; L308-W386 HydrophobicContact CD1-CZ2 4.24Å; L308-T394 HydrophobicContact CD1-CG2 3.85Å; L308-T394 HydrophobicContact CD2-CG2 4.29Å; L308-Y397 HydrophobicContact CD1-CD2 3.73Å; L308-Y397 HydrophobicContact CD1-CE2 3.75Å
309W90.6Very high86Confident33 Ų3342.9 Ų42.913%0.12525%0.252CS..Hα-helixtrans-62.2-36.5178.7169.9104.6000112.5V291 V299 P300 G305 L306 R313V291-W309 HydrophobicContact CG1-CZ2 4.35Å; V291-W309 HydrophobicContact CG2-CH2 3.36Å; V291-W309 HydrophobicContact CG2-CZ2 3.62Å; V299-W309 HydrophobicContact CG1-CD2 4.24Å; V299-W309 HydrophobicContact CG1-CE3 4.35Å; V299-W309 HydrophobicContact CG2-CD2 4.46Å; V299-W309 HydrophobicContact CG2-CH2 4.3Å; V299-W309 HydrophobicContact CG2-CZ2 3.76Å; P300-W309 HydrophobicContact CG-CB 4.35Å; G305-W309 VanDerWaalsContact O-CB 3.3Å; G305-W309 WeakPolarHBondContact O-CB 3.33Å; G305-W309 PolarHBondContact O-N 3.11Å; L306-W309 HydrophobicContact CD1-CE3 3.82Å; L306-W309 HydrophobicContact CD1-CZ3 4.05Å; L306-W309 PolarHBondContact O-N 3.47Å; W309-R313 PolarHBondContact O-N 2.89Å
310M89Confident86Confident6 Ų644 Ų443%0.0326%0.257CS..Hα-helixtrans-68.8-44.9175.1-80.1-17175.900111.3L281 L306 Y307 L308 D312 R313 L314 R367 L368L281-M310 HydrophobicContact CB-SD 4.22Å; L281-M310 HydrophobicContact CD1-SD 4.08Å; L281-M310 HydrophobicContact CD2-CE 4.1Å; L281-M310 HydrophobicContact CD2-SD 4.09Å; L281-M310 HydrophobicContact CG-SD 4.37Å; L306-M310 HydrophobicContact CD1-CG 3.99Å; L306-M310 HydrophobicContact CD1-SD 4.27Å; L306-M310 HydrophobicContact CG-CG 4.35Å; L306-M310 HydrophobicContact CG-SD 4.25Å; L306-M310 WeakPolarHBondContact O-CB 3.34Å; L306-M310 VanDerWaalsContact O-CG 3.31Å; L306-M310 WeakPolarHBondContact O-CG 3.33Å; L306-M310 PolarHBondContact O-N 3.22Å; Y307-M310 PolarHBondContact O-N 3.31Å; L308-M310 VanDerWaalsContact C-N 3.33Å; L308-M310 PolarHBondContact O-N 2.72Å; M310-D312 VanDerWaalsContact C-N 3.31Å; M310-D312 PolarHBondContact O-N 2.9Å; M310-R313 PolarHBondContact O-N 2.85Å; M310-L314 HydrophobicContact CE-CD1 4.16Å; M310-L314 VanDerWaalsContact O-CB 3.24Å; M310-L314 WeakPolarHBondContact O-CB 3.41Å; M310-L314 WeakPolarHBondContact O-CG 3.25Å; M310-L314 PolarHBondContact O-N 3.34Å; M310-R367 HydrophobicContact CE-CB 4.08Å; M310-L368 HydrophobicContact CB-CD2 4.37Å; M310-L368 HydrophobicContact CE-CD2 3.78Å; M310-L368 HydrophobicContact CE-CG 4.49Å; M310-L368 HydrophobicContact SD-CD2 4.15Å
311C89.6Confident86Confident0 Ų044 Ų440%026%0.258CS..Hα-helixtrans-60.3-44.1176.9-70.40000110.7Y307 L308 L314 I315 W386 Y397Y307-C311 WeakPolarHBondContact O-CB 3.17Å; Y307-C311 PolarHBondContact O-N 2.97Å; Y307-C311 PolarHBondContact O-SG 2.91Å; L308-C311 PolarHBondContact O-N 3.48Å; C311-L314 PolarHBondContact O-N 3.14Å; C311-I315 HydrophobicContact CB-CD1 4.03Å; C311-I315 VanDerWaalsContact O-CB 3.22Å; C311-I315 WeakPolarHBondContact O-CB 3.34Å; C311-I315 WeakPolarHBondContact O-CD1 3.43Å; C311-I315 WeakPolarHBondContact O-CG1 3.48Å; C311-I315 PolarHBondContact O-N 3.26Å; C311-W386 HydrophobicContact CB-CH2 4.4Å; C311-Y397 HydrophobicContact CB-CD1 4.02Å; C311-Y397 HydrophobicContact CB-CD2 4.18Å; C311-Y397 HydrophobicContact CB-CE1 3.83Å; C311-Y397 HydrophobicContact CB-CE2 4Å; C311-Y397 HydrophobicContact CB-CG 4.2Å
312D88.7Confident86.3Confident82 Ų8242.8 Ų42.844%0.43924%0.242SC..Hα-helixtrans-66.7-43.2-178.8-147.655.9000112.1L308 M310 G316 K396 Y397L308-D312 PolarHBondContact O-N 3.3Å; M310-D312 VanDerWaalsContact C-N 3.31Å; M310-D312 PolarHBondContact O-N 2.9Å; D312-G316 VanDerWaalsContact O-CA 3.23Å; D312-G316 WeakPolarHBondContact O-CA 3.42Å; D312-G316 PolarHBondContact O-N 3.03Å; D312-K396 IonicContact OD1-NZ 2.74Å; D312-K396 PolarHBondContact OD1-NZ 2.84Å; D312-Y397 VanDerWaalsContact CA-OH 3.28Å; D312-Y397 WeakPolarHBondContact CA-OH 3.44Å; D312-Y397 PolarHBondContact N-OH 3.16Å; D312-Y397 PolarHBondContact OD1-OH 3.41Å
313R87Confident86.5Confident94 Ų9438.8 Ų38.836%0.35522%0.217SC..Hα-helixtrans-71.1-29.1174.7-71-164.3-178.3-169.65114.9L290 E298 W309 M310L290-R313 PolarHBondContact O-NH1 2.95Å; L290-R313 VanDerWaalsContact O-NH1 3.09Å; E298-R313 IonicContact OE2-NH2 3.33Å; E298-R313 PolarHBondContact OE2-NH2 2.67Å; W309-R313 PolarHBondContact O-N 2.89Å; M310-R313 PolarHBondContact O-N 2.85Å
314L86.5Confident86.7Confident24 Ų2442 Ų4213%0.12623%0.227CC..Hα-helixtrans-88.3-28.8-178-67.3174.6000113.6L290 M310 C311 R364 R367 L368L290-L314 HydrophobicContact CD1-CD2 3.79Å; L290-L314 HydrophobicContact CD2-CD2 4.49Å; M310-L314 HydrophobicContact CE-CD1 4.16Å; M310-L314 VanDerWaalsContact O-CB 3.24Å; M310-L314 WeakPolarHBondContact O-CB 3.41Å; M310-L314 WeakPolarHBondContact O-CG 3.25Å; M310-L314 PolarHBondContact O-N 3.34Å; C311-L314 PolarHBondContact O-N 3.14Å; L314-R364 WeakPolarHBondContact O-CB 3.35Å; L314-R367 HydrophobicContact CD1-CB 4.12Å; L314-L368 HydrophobicContact CD1-CD1 4Å; L314-L368 HydrophobicContact CD1-CG 4.03Å
315I85.4Confident86.7Confident7 Ų740.7 Ų40.74%0.03622%0.22CC..Hα-helixtrans-101.1-38.1-178.2-60.4155.6000110.6C311 D317 S318 Y320 V323 V365 Y397C311-I315 HydrophobicContact CB-CD1 4.03Å; C311-I315 VanDerWaalsContact O-CB 3.22Å; C311-I315 WeakPolarHBondContact O-CB 3.34Å; C311-I315 WeakPolarHBondContact O-CD1 3.43Å; C311-I315 WeakPolarHBondContact O-CG1 3.48Å; C311-I315 PolarHBondContact O-N 3.26Å; I315-D317 PolarHBondContact O-N 2.88Å; I315-S318 WeakPolarHBondContact O-CB 3.4Å; I315-S318 PolarHBondContact O-N 3.31Å; I315-S318 PolarHBondContact O-OG 3.08Å; I315-Y320 HydrophobicContact CD1-CD2 3.65Å; I315-Y320 HydrophobicContact CD1-CE2 3.59Å; I315-Y320 HydrophobicContact CG1-CD2 4.37Å; I315-Y320 HydrophobicContact CG2-CD2 4.02Å; I315-V323 HydrophobicContact CD1-CG1 4.22Å; I315-V365 HydrophobicContact CD1-CG1 4.34Å; I315-V365 HydrophobicContact CG1-CG1 3.96Å; I315-Y397 HydrophobicContact CD1-CD1 4.12Å; I315-Y397 HydrophobicContact CD1-CE1 3.67Å
316G75Confident86.7Confident27 Ų2740 Ų4028%0.27821%0.213SC..THydrogen-bonded Turntrans53.2-131.1-17600000112.2D312 K396D312-G316 VanDerWaalsContact O-CA 3.23Å; D312-G316 WeakPolarHBondContact O-CA 3.42Å; D312-G316 PolarHBondContact O-N 3.03Å; G316-K396 PolarHBondContact O-NZ 3.39Å
317D72.7Confident86.9Confident171 Ų17140 Ų4091%0.91421%0.213SC*.THydrogen-bonded Turntrans-89.43.5175.8-51.2-57.6000113.4I315I315-D317 PolarHBondContact O-N 2.88Å
318S74.7Confident86.8Confident29 Ų2940 Ų4020%0.20321%0.213CC..SBendtrans-70.1144.5178.776.10000111.1I315 Y320I315-S318 WeakPolarHBondContact O-CB 3.4Å; I315-S318 PolarHBondContact O-N 3.31Å; I315-S318 PolarHBondContact O-OG 3.08Å; S318-Y320 PolarHBondContact O-N 2.81Å
319P77.3Confident86.9Confident95 Ų9537 Ų3762%0.61720%0.198SC*.  trans-61.9108.8-171.622.6-33.8000111.5S321P319-S321 PolarHBondContact O-N 3.25Å; P319-S321 VanDerWaalsContact O-N 3.14Å
320Y86.5Confident87Confident26 Ų2635.9 Ų35.910%0.10219%0.194CC..THydrogen-bonded Turntrans-65.4-16.8-173.8-178.7-117.9000113.8I315 S318 T322 V323 R324 F327 K396 Y397I315-Y320 HydrophobicContact CD1-CD2 3.65Å; I315-Y320 HydrophobicContact CD1-CE2 3.59Å; I315-Y320 HydrophobicContact CG1-CD2 4.37Å; I315-Y320 HydrophobicContact CG2-CD2 4.02Å; S318-Y320 PolarHBondContact O-N 2.81Å; Y320-T322 PolarHBondContact O-N 3.35Å; Y320-V323 HydrophobicContact CD2-CB 3.67Å; Y320-V323 HydrophobicContact CD2-CG1 3.84Å; Y320-V323 HydrophobicContact CE2-CB 3.79Å; Y320-V323 HydrophobicContact CE2-CG1 3.48Å; Y320-V323 VanDerWaalsContact CE2-CG1 3.48Å; Y320-V323 CarbonylContact O-C 3.59Å; Y320-V323 WeakPolarHBondContact O-CA 3.27Å; Y320-V323 WeakPolarHBondContact O-CB 3.34Å; Y320-V323 PolarHBondContact O-N 3.01Å; Y320-R324 HydrophobicContact CD1-CB 3.85Å; Y320-R324 HydrophobicContact CD1-CG 4.41Å; Y320-R324 HydrophobicContact CE1-CB 3.54Å; Y320-R324 HydrophobicContact CE1-CG 3.82Å; Y320-R324 WeakPolarHBondContact O-CB 3.39Å; Y320-R324 PolarHBondContact O-N 2.97Å; Y320-F327 HydrophobicContact CE2-CD2 4.47Å; Y320-F327 HydrophobicContact CE2-CE2 4.37Å; Y320-K396 WeakPolarHBondContact CD1-O 3.44Å; Y320-K396 WeakPolarHBondContact CE1-O 3.09Å; Y320-Y397 HydrophobicContact CD1-CD1 4.47Å; Y320-Y397 HydrophobicContact CD2-CD1 4.16Å; Y320-Y397 HydrophobicContact CD2-CE1 4.32Å; Y320-Y397 HydrophobicContact CE1-CD1 4.15Å; Y320-Y397 AromaticContact CE2-CD1 3.81Å; Y320-Y397 HydrophobicContact CE2-CD1 3.81Å; Y320-Y397 HydrophobicContact CE2-CE1 4.33Å; Y320-Y397 HydrophobicContact CG-CD1 4.47Å; Y320-Y397 AromaticContact CZ-CD1 3.81Å; Y320-Y397 PolarHBondContact OH-O 3.47Å
321S87.8Confident87.1Confident49 Ų4936.3 Ų36.334%0.34320%0.196SC..Hα-helixtrans-48.1-51.8-178.8520000113.3P319 V323 R324 D325P319-S321 PolarHBondContact O-N 3.25Å; P319-S321 VanDerWaalsContact O-N 3.14Å; S321-V323 VanDerWaalsContact C-N 3.28Å; S321-V323 PolarHBondContact O-N 3.43Å; S321-R324 PolarHBondContact O-N 3.12Å; S321-D325 WeakPolarHBondContact O-CB 3.5Å; S321-D325 PolarHBondContact O-N 3.27Å; S321-D325 VanDerWaalsContact O-OD1 3.09Å
322T89.4Confident87.1Confident20 Ų2036.4 Ų36.412%0.12320%0.197CC..Hα-helixtrans-62.1-35.1179-55.90000112.7Y320 I326 L353 A361Y320-T322 PolarHBondContact O-N 3.35Å; T322-I326 HydrophobicContact CG2-CD1 4.25Å; T322-I326 WeakPolarHBondContact O-CD1 3.34Å; T322-I326 VanDerWaalsContact O-CG1 3.25Å; T322-I326 WeakPolarHBondContact O-CG1 2.97Å; T322-I326 PolarHBondContact O-N 3.37Å; T322-I326 VanDerWaalsContact O-N 3.12Å; T322-L353 HydrophobicContact CG2-CD1 3.53Å; T322-L353 HydrophobicContact CG2-CD2 4.29Å; T322-A361 HydrophobicContact CG2-CB 3.67Å
323V91.9Very high87.1Confident0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-74.9-41.4179.2177.50000111I315 Y320 S321 D325 I326 F327 A361 V365I315-V323 HydrophobicContact CD1-CG1 4.22Å; Y320-V323 HydrophobicContact CD2-CB 3.67Å; Y320-V323 HydrophobicContact CD2-CG1 3.84Å; Y320-V323 HydrophobicContact CE2-CB 3.79Å; Y320-V323 HydrophobicContact CE2-CG1 3.48Å; Y320-V323 VanDerWaalsContact CE2-CG1 3.48Å; Y320-V323 CarbonylContact O-C 3.59Å; Y320-V323 WeakPolarHBondContact O-CA 3.27Å; Y320-V323 WeakPolarHBondContact O-CB 3.34Å; Y320-V323 PolarHBondContact O-N 3.01Å; S321-V323 VanDerWaalsContact C-N 3.28Å; S321-V323 PolarHBondContact O-N 3.43Å; V323-D325 VanDerWaalsContact C-N 3.31Å; V323-D325 PolarHBondContact O-N 3.47Å; V323-I326 WeakPolarHBondContact O-CB 3.25Å; V323-I326 PolarHBondContact O-N 3.11Å; V323-F327 HydrophobicContact CG1-CD2 3.99Å; V323-F327 HydrophobicContact CG1-CE1 4.37Å; V323-F327 HydrophobicContact CG1-CE2 3.61Å; V323-F327 HydrophobicContact CG1-CZ 3.82Å; V323-F327 WeakPolarHBondContact O-CG 3.47Å; V323-F327 PolarHBondContact O-N 3.31Å; V323-A361 HydrophobicContact CG2-CB 4.11Å; V323-V365 HydrophobicContact CG1-CB 4.48Å; V323-V365 HydrophobicContact CG1-CG1 3.62Å; V323-V365 HydrophobicContact CG1-CG2 4.22Å; V323-V365 HydrophobicContact CG2-CG1 4.3Å
324R91.9Very high86.8Confident97 Ų9732 Ų3237%0.36618%0.176SC..Hα-helixtrans-61-40174.3-168.3-172.962.3-169.8-2.7111.6Y320 S321 F327 S328Y320-R324 HydrophobicContact CD1-CB 3.85Å; Y320-R324 HydrophobicContact CD1-CG 4.41Å; Y320-R324 HydrophobicContact CE1-CB 3.54Å; Y320-R324 HydrophobicContact CE1-CG 3.82Å; Y320-R324 WeakPolarHBondContact O-CB 3.39Å; Y320-R324 PolarHBondContact O-N 2.97Å; S321-R324 PolarHBondContact O-N 3.12Å; R324-F327 PolarHBondContact O-N 3.02Å; R324-S328 VanDerWaalsContact O-CB 3.25Å; R324-S328 WeakPolarHBondContact O-CB 3.44Å; R324-S328 PolarHBondContact O-N 3.48Å; R324-S328 PolarHBondContact O-OG 2.95Å
325D90.6Very high86.5Confident18 Ų1834.9 Ų34.910%0.09619%0.185CC..Hα-helixtrans-70.6-41.2179.4-64.63.5000110.5S321 V323 S328 V329 S349S321-D325 WeakPolarHBondContact O-CB 3.5Å; S321-D325 PolarHBondContact O-N 3.27Å; S321-D325 VanDerWaalsContact O-OD1 3.09Å; V323-D325 VanDerWaalsContact C-N 3.31Å; V323-D325 PolarHBondContact O-N 3.47Å; D325-S328 PolarHBondContact O-N 2.92Å; D325-V329 WeakPolarHBondContact O-CB 3.37Å; D325-V329 WeakPolarHBondContact O-CG2 3.23Å; D325-V329 PolarHBondContact O-N 2.93Å; D325-S349 WeakPolarHBondContact OD2-CB 3.49Å; D325-S349 PolarHBondContact OD2-OG 3.46Å
326I92Very high86.2Confident0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-55.6-51.4168.9-75.7165000111.3T322 V323 L330 L342 F358 A361 L362T322-I326 HydrophobicContact CG2-CD1 4.25Å; T322-I326 WeakPolarHBondContact O-CD1 3.34Å; T322-I326 VanDerWaalsContact O-CG1 3.25Å; T322-I326 WeakPolarHBondContact O-CG1 2.97Å; T322-I326 PolarHBondContact O-N 3.37Å; T322-I326 VanDerWaalsContact O-N 3.12Å; V323-I326 WeakPolarHBondContact O-CB 3.25Å; V323-I326 PolarHBondContact O-N 3.11Å; I326-L330 HydrophobicContact CG2-CD1 4.07Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 3.04Å; I326-L330 VanDerWaalsContact O-N 3.11Å; I326-L342 HydrophobicContact CG2-CD2 4.26Å; I326-F358 HydrophobicContact CD1-CD2 3.88Å; I326-F358 HydrophobicContact CD1-CE2 3.72Å; I326-F358 HydrophobicContact CG1-CD2 4.18Å; I326-F358 HydrophobicContact CG1-CE2 3.7Å; I326-A361 HydrophobicContact CD1-CB 4.26Å; I326-L362 HydrophobicContact CD1-CD1 4.36Å; I326-L362 HydrophobicContact CG2-CD1 4.34Å
327F93.3Very high86.7Confident0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-66.4-43.3-179-70.8-18000112.1Y320 V323 R324 V329 L330 L331 V365 L368 L369 L378 F383 L387Y320-F327 HydrophobicContact CE2-CD2 4.47Å; Y320-F327 HydrophobicContact CE2-CE2 4.37Å; V323-F327 HydrophobicContact CG1-CD2 3.99Å; V323-F327 HydrophobicContact CG1-CE1 4.37Å; V323-F327 HydrophobicContact CG1-CE2 3.61Å; V323-F327 HydrophobicContact CG1-CZ 3.82Å; V323-F327 WeakPolarHBondContact O-CG 3.47Å; V323-F327 PolarHBondContact O-N 3.31Å; R324-F327 PolarHBondContact O-N 3.02Å; F327-V329 PolarHBondContact O-N 3.47Å; F327-L330 CarbonylContact O-C 3.56Å; F327-L330 PolarHBondContact O-N 3.16Å; F327-L330 VanDerWaalsContact O-N 3.12Å; F327-L331 WeakPolarHBondContact O-CB 3.38Å; F327-L331 WeakPolarHBondContact O-CG 3.48Å; F327-L331 PolarHBondContact O-N 3.21Å; F327-V365 HydrophobicContact CE1-CB 4.25Å; F327-V365 HydrophobicContact CE1-CG2 3.94Å; F327-V365 HydrophobicContact CZ-CB 3.95Å; F327-V365 HydrophobicContact CZ-CG1 4.06Å; F327-V365 HydrophobicContact CZ-CG2 4.08Å; F327-L368 HydrophobicContact CZ-CB 4.26Å; F327-L368 HydrophobicContact CZ-CD1 4.3Å; F327-L369 HydrophobicContact CD1-CD2 4.44Å; F327-L369 HydrophobicContact CE1-CD2 4.12Å; F327-L378 HydrophobicContact CD1-CD2 3.76Å; F327-L378 HydrophobicContact CE1-CD2 4.16Å; F327-L378 HydrophobicContact CG-CD2 4.44Å; F327-F383 HydrophobicContact CE1-CE1 4.28Å; F327-F383 HydrophobicContact CE2-CE1 4.17Å; F327-F383 AromaticContact CE2-CZ 3.93Å; F327-F383 HydrophobicContact CE2-CZ 3.93Å; F327-F383 AromaticContact CZ-CE1 3.95Å; F327-F383 HydrophobicContact CZ-CE1 3.95Å; F327-F383 AromaticContact CZ-CZ 3.99Å; F327-F383 HydrophobicContact CZ-CZ 3.99Å; F327-L387 HydrophobicContact CB-CD1 4.02Å; F327-L387 HydrophobicContact CD2-CD1 3.76Å; F327-L387 HydrophobicContact CD2-CD2 3.92Å; F327-L387 HydrophobicContact CE2-CD1 4.33Å; F327-L387 HydrophobicContact CE2-CD2 4.27Å; F327-L387 HydrophobicContact CG-CD1 3.91Å
328S92.7Very high87.5Confident0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-61.4-42.6178.5-59.50000111.6R324 D325 L330 L331 A332 G404R324-S328 VanDerWaalsContact O-CB 3.25Å; R324-S328 WeakPolarHBondContact O-CB 3.44Å; R324-S328 PolarHBondContact O-N 3.48Å; R324-S328 PolarHBondContact O-OG 2.95Å; D325-S328 PolarHBondContact O-N 2.92Å; S328-L330 PolarHBondContact O-N 3.17Å; S328-L331 PolarHBondContact O-N 3.14Å; S328-A332 WeakPolarHBondContact O-CB 3.3Å; S328-A332 PolarHBondContact O-N 2.81Å; S328-G404 WeakPolarHBondContact O-CA 3.46Å
329V92.9Very high88.3Confident0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-59.5-45.1172.21680000111.6D325 F327 L331 A332 S333 L337 L342 C407 L408D325-V329 WeakPolarHBondContact O-CB 3.37Å; D325-V329 WeakPolarHBondContact O-CG2 3.23Å; D325-V329 PolarHBondContact O-N 2.93Å; F327-V329 PolarHBondContact O-N 3.47Å; V329-L331 VanDerWaalsContact C-N 3.33Å; V329-L331 PolarHBondContact O-N 3.28Å; V329-A332 PolarHBondContact O-N 2.76Å; V329-S333 WeakPolarHBondContact O-CB 3.47Å; V329-S333 PolarHBondContact O-N 2.79Å; V329-L337 HydrophobicContact CG1-CD1 3.55Å; V329-L342 HydrophobicContact CB-CD1 4.09Å; V329-L342 HydrophobicContact CG1-CD1 3.65Å; V329-C407 HydrophobicContact CG2-CB 3.6Å; V329-L408 HydrophobicContact CG1-CD1 4.44Å; V329-L408 HydrophobicContact CG1-CD2 4.26Å; V329-L408 HydrophobicContact CG1-CG 4.31Å
330L91.8Very high88.9Confident8 Ų831.7 Ų31.74%0.04215%0.154CC..Hα-helixtrans-68.8-29.1179-68.3171000113.2I326 F327 S328 L342 L369 L378I326-L330 HydrophobicContact CG2-CD1 4.07Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 3.04Å; I326-L330 VanDerWaalsContact O-N 3.11Å; F327-L330 CarbonylContact O-C 3.56Å; F327-L330 PolarHBondContact O-N 3.16Å; F327-L330 VanDerWaalsContact O-N 3.12Å; S328-L330 PolarHBondContact O-N 3.17Å; L330-L342 HydrophobicContact CD1-CD2 4.33Å; L330-L342 HydrophobicContact CD2-CD1 4.12Å; L330-L342 HydrophobicContact CD2-CD2 4.31Å; L330-L342 HydrophobicContact CG-CD1 4.03Å; L330-L342 HydrophobicContact CG-CD2 4.46Å; L330-L369 HydrophobicContact CD1-CD2 3.45Å; L330-L369 VanDerWaalsContact CD1-CD2 3.45Å; L330-L378 HydrophobicContact CB-CD1 4.43Å; L330-L378 HydrophobicContact CB-CD2 4.38Å; L330-L378 HydrophobicContact CB-CG 4.03Å; L330-L378 HydrophobicContact CD1-CD2 4.22Å; L330-L378 HydrophobicContact CD1-CG 4.46Å
331L91.1Very high89.1Confident15 Ų1533.4 Ų33.48%0.07916%0.163CC..Hα-helixtrans-72.5-29173.3-71.3166.7000113F327 S328 V329 L378 A384 L387 L388 C399 K401F327-L331 WeakPolarHBondContact O-CB 3.38Å; F327-L331 WeakPolarHBondContact O-CG 3.48Å; F327-L331 PolarHBondContact O-N 3.21Å; S328-L331 PolarHBondContact O-N 3.14Å; V329-L331 VanDerWaalsContact C-N 3.33Å; V329-L331 PolarHBondContact O-N 3.28Å; L331-L378 HydrophobicContact CD2-CD1 3.58Å; L331-L378 HydrophobicContact CG-CD1 3.93Å; L331-A384 HydrophobicContact CD2-CB 3.48Å; L331-A384 VanDerWaalsContact CD2-CB 3.48Å; L331-L387 HydrophobicContact CD1-CB 4.15Å; L331-L387 HydrophobicContact CD1-CD1 4.39Å; L331-L388 HydrophobicContact CD1-CD2 4.07Å; L331-L388 HydrophobicContact CD1-CG 4.23Å; L331-L388 HydrophobicContact CD2-CD1 4.18Å; L331-L388 HydrophobicContact CD2-CG 4.32Å; L331-C399 HydrophobicContact CD1-CB 3.59Å; L331-K401 WeakPolarHBondContact O-CE 3.34Å
332A90.3Very high89.3Confident2 Ų231 Ų312%0.01715%0.146CC..Hα-helixtrans-91.6-26.2-179.800000113.7S328 V329 K401 H405 L408 H430S328-A332 WeakPolarHBondContact O-CB 3.3Å; S328-A332 PolarHBondContact O-N 2.81Å; V329-A332 PolarHBondContact O-N 2.76Å; A332-K401 HydrophobicContact CB-CG 4.32Å; A332-K401 WeakPolarHBondContact CB-O 3.34Å; A332-H405 VanDerWaalsContact CB-N 3.35Å; A332-L408 HydrophobicContact CB-CD1 3.88Å; A332-H430 PolarHBondContact O-CE1 2.96Å
333S87.8Confident89.5Confident13 Ų1332.4 Ų32.49%0.09115%0.149CC..  trans-67136.9-177.1-167.90000112.3V329 R335V329-S333 WeakPolarHBondContact O-CB 3.47Å; V329-S333 PolarHBondContact O-N 2.79Å; S333-R335 PolarHBondContact OG-N 2.75Å; S333-R335 PolarHBondContact OG-O 2.94Å
334R81.2Confident89.5Confident70 Ų7040 Ų4026%0.26418%0.178SC..SBendtrans-90.6-3.9176.5-77-177.761-1771.8114.5A78 Y429 C465A78-R334 HydrophobicContact CB-CB 3.9Å; A78-R334 HydrophobicContact CB-CG 4.2Å; A78-R334 PolarHBondContact N-O 3.05Å; R334-Y429 HydrophobicContact CG-CD1 4.35Å; R334-Y429 HydrophobicContact CG-CE1 3.81Å; R334-C465 PolarHBondContact NH1-SG 3.3Å
335R79.3Confident89.5Confident86 Ų8635.4 Ų35.433%0.32516%0.161SC..SBendtrans-144.7161179.953.8176.9168.5156.9-5.2110.3S333 L337 E426S333-R335 PolarHBondContact OG-N 2.75Å; S333-R335 PolarHBondContact OG-O 2.94Å; R335-L337 PolarHBondContact O-N 2.81Å; R335-E426 IonicContact CZ-OE1 2.72Å; R335-E426 VanDerWaalsContact CZ-OE1 3.25Å; R335-E426 IonicContact CZ-OE2 3.8Å; R335-E426 VanDerWaalsContact CZ-OE2 3.26Å; R335-E426 VanDerWaalsContact NE-CD 3.35Å; R335-E426 IonicContact NE-OE1 3.3Å; R335-E426 PolarHBondContact NE-OE1 3.09Å; R335-E426 IonicContact NE-OE2 3.83Å; R335-E426 PolarHBondContact NE-OE2 3Å; R335-E426 VanDerWaalsContact NE-OE2 3.08Å; R335-E426 IonicContact NH2-OE1 2.98Å; R335-E426 PolarHBondContact NH2-OE1 3.29Å; R335-E426 IonicContact NH2-OE2 3.89Å; R335-E426 PolarHBondContact NH2-OE2 3.15Å
336S79.4Confident89.5Confident39 Ų3934.5 Ų34.527%0.27316%0.156SC..  trans-5713616745.10000111M375S336-M375 VanDerWaalsContact CB-SD 3.59Å; S336-M375 PolarHBondContact OG-SD 3.09Å
337L87Confident89.5Confident8 Ų839 Ų394%0.04217%0.173CC..BIsolated β-bridgetrans-107.1137174.3-61.6176.5000109.2V329 R335 Q341 L342 C376 L408V329-L337 HydrophobicContact CG1-CD1 3.55Å; R335-L337 PolarHBondContact O-N 2.81Å; L337-Q341 HydrophobicContact CB-CB 4.39Å; L337-L342 HydrophobicContact CB-CB 4.46Å; L337-L342 HydrophobicContact CD1-CD1 4.39Å; L337-C376 WeakPolarHBondContact O-CB 3.46Å; L337-C376 PolarHBondContact O-N 2.95Å; L337-L408 HydrophobicContact CD1-CD2 4.26Å
338S88.8Confident89.4Confident30 Ų3040.4 Ų40.421%0.2118%0.182CC..  trans-67.4153.6167.567.10000110.4K340 Q341 L342 T374S338-K340 PolarHBondContact O-N 2.93Å; S338-K340 VanDerWaalsContact O-N 3.09Å; S338-Q341 WeakPolarHBondContact O-CA 3.37Å; S338-Q341 WeakPolarHBondContact O-CB 3.24Å; S338-Q341 PolarHBondContact O-N 3.43Å; S338-Q341 WeakPolarHBondContact OG-CG 3.48Å; S338-Q341 PolarHBondContact OG-N 3.48Å; S338-Q341 PolarHBondContact OG-OE1 2.9Å; S338-L342 PolarHBondContact O-N 3.26Å; S338-T374 WeakPolarHBondContact CA-O 3.44Å; S338-T374 WeakPolarHBondContact CB-O 3.41Å
339V90.8Very high89.2Confident34 Ų3443.1 Ų43.121%0.20620%0.201CC..Hα-helixtrans-54.1-33.9179.4-179.40000112.3Y343 W355 F358 L359 L362V339-Y343 PolarHBondContact O-N 3.31Å; V339-W355 HydrophobicContact CG1-CH2 4.13Å; V339-F358 HydrophobicContact CG1-CE1 3.85Å; V339-F358 HydrophobicContact CG1-CZ 4.49Å; V339-L359 HydrophobicContact CG1-CD2 4.07Å; V339-L362 HydrophobicContact CG1-CD2 3.67Å; V339-L362 HydrophobicContact CG2-CD2 4.29Å
340K90.5Very high89Confident151 Ų15145.5 Ų45.566%0.65721%0.213SC*.Hα-helixtrans-72.6-30176.1-69.2178.5179.6173.60113.7S338 R344 W355S338-K340 PolarHBondContact O-N 2.93Å; S338-K340 VanDerWaalsContact O-N 3.09Å; K340-R344 WeakPolarHBondContact O-CG 3.42Å; K340-R344 PolarHBondContact O-N 2.76Å; K340-W355 HydrophobicContact CG-CH2 3.98Å; K340-W355 HydrophobicContact CG-CZ3 4.45Å
341Q90.4Very high88.8Confident61 Ų6149.6 Ų49.629%0.28524%0.239SC..Hα-helixtrans-74.7-46.9171.4-73.9160.5-57.800110.4L337 S338 Y343 R344 T345L337-Q341 HydrophobicContact CB-CB 4.39Å; S338-Q341 WeakPolarHBondContact O-CA 3.37Å; S338-Q341 WeakPolarHBondContact O-CB 3.24Å; S338-Q341 PolarHBondContact O-N 3.43Å; S338-Q341 WeakPolarHBondContact OG-CG 3.48Å; S338-Q341 PolarHBondContact OG-N 3.48Å; S338-Q341 PolarHBondContact OG-OE1 2.9Å; Q341-Y343 VanDerWaalsContact C-N 3.28Å; Q341-Y343 PolarHBondContact O-N 2.89Å; Q341-R344 CarbonylContact O-C 3.37Å; Q341-R344 WeakPolarHBondContact O-CA 3.36Å; Q341-R344 PolarHBondContact O-N 3.43Å; Q341-T345 PolarHBondContact O-N 3.11Å; Q341-T345 PolarHBondContact O-OG1 3.05Å
342L92.2Very high88.8Confident0 Ų055.7 Ų55.70%027%0.272CS..Hα-helixtrans-57.3-38.9179.6-177.760.1000112.7I326 V329 L330 L337 S338 T345 A346 F358 L362 C376I326-L342 HydrophobicContact CG2-CD2 4.26Å; V329-L342 HydrophobicContact CB-CD1 4.09Å; V329-L342 HydrophobicContact CG1-CD1 3.65Å; L330-L342 HydrophobicContact CD1-CD2 4.33Å; L330-L342 HydrophobicContact CD2-CD1 4.12Å; L330-L342 HydrophobicContact CD2-CD2 4.31Å; L330-L342 HydrophobicContact CG-CD1 4.03Å; L330-L342 HydrophobicContact CG-CD2 4.46Å; L337-L342 HydrophobicContact CB-CB 4.46Å; L337-L342 HydrophobicContact CD1-CD1 4.39Å; S338-L342 PolarHBondContact O-N 3.26Å; L342-T345 WeakPolarHBondContact CA-OG1 3.45Å; L342-T345 PolarHBondContact O-OG1 2.8Å; L342-A346 WeakPolarHBondContact O-CB 3.39Å; L342-A346 PolarHBondContact O-N 3.2Å; L342-F358 HydrophobicContact CB-CZ 4.17Å; L342-F358 HydrophobicContact CD2-CZ 4.23Å; L342-F358 HydrophobicContact CG-CE2 4.16Å; L342-F358 HydrophobicContact CG-CZ 3.92Å; L342-L362 HydrophobicContact CD2-CD1 4.06Å; L342-C376 HydrophobicContact CD2-CB 4.06Å
343Y92.8Very high88.7Confident48 Ų4855.9 Ų55.919%0.18827%0.272CS..Hα-helixtrans-61-51169.5171.3-114.4000112.5V339 Q341 T345 A346 W347 L353 W355 F358V339-Y343 PolarHBondContact O-N 3.31Å; Q341-Y343 VanDerWaalsContact C-N 3.28Å; Q341-Y343 PolarHBondContact O-N 2.89Å; Y343-T345 VanDerWaalsContact C-N 3.25Å; Y343-T345 PolarHBondContact O-N 3.19Å; Y343-A346 PolarHBondContact O-N 3.09Å; Y343-W347 VanDerWaalsContact O-CB 3.31Å; Y343-W347 WeakPolarHBondContact O-CB 3.23Å; Y343-W347 PolarHBondContact O-N 2.78Å; Y343-L353 HydrophobicContact CE2-CG 4.33Å; Y343-L353 WeakPolarHBondContact CE2-O 3.36Å; Y343-L353 PolarHBondContact OH-O 2.97Å; Y343-L353 VanDerWaalsContact OH-O 3.13Å; Y343-W355 AromaticContact CD1-CE3 3.59Å; Y343-W355 HydrophobicContact CD1-CE3 3.59Å; Y343-W355 HydrophobicContact CD1-CZ3 4.02Å; Y343-W355 AromaticContact CD2-CE3 3.92Å; Y343-W355 HydrophobicContact CD2-CE3 3.92Å; Y343-W355 HydrophobicContact CE1-CB 4.48Å; Y343-W355 HydrophobicContact CE1-CE3 4.05Å; Y343-W355 HydrophobicContact CE2-CB 4.21Å; Y343-W355 HydrophobicContact CE2-CE3 4.32Å; Y343-W355 AromaticContact CG-CE3 3.51Å; Y343-W355 HydrophobicContact CG-CE3 3.51Å; Y343-W355 AromaticContact CG-CZ3 3.83Å; Y343-W355 HydrophobicContact CG-CZ3 3.83Å; Y343-W355 PolarHBondContact OH-N 2.95Å; Y343-F358 HydrophobicContact CD2-CB 3.6Å; Y343-F358 AromaticContact CD2-CD1 3.86Å; Y343-F358 HydrophobicContact CD2-CD1 3.86Å; Y343-F358 AromaticContact CD2-CD2 3.97Å; Y343-F358 HydrophobicContact CD2-CD2 3.97Å; Y343-F358 AromaticContact CD2-CG 3.54Å; Y343-F358 HydrophobicContact CD2-CG 3.54Å; Y343-F358 HydrophobicContact CE2-CB 3.99Å; Y343-F358 HydrophobicContact CE2-CG 4.41Å; Y343-F358 HydrophobicContact CG-CD1 4.25Å; Y343-F358 HydrophobicContact CG-CG 4.31Å
344R92.1Very high89Confident159 Ų15958.5 Ų58.560%0.629%0.288SS*.Hα-helixtrans-66.5-25.6-176.9-72.9175.2171.3-175.5-4.3113.3K340 Q341 F411K340-R344 WeakPolarHBondContact O-CG 3.42Å; K340-R344 PolarHBondContact O-N 2.76Å; Q341-R344 CarbonylContact O-C 3.37Å; Q341-R344 WeakPolarHBondContact O-CA 3.36Å; Q341-R344 PolarHBondContact O-N 3.43Å; R344-F411 HydrophobicContact CB-CD2 3.94Å; R344-F411 HydrophobicContact CB-CE2 3.61Å
345T92.2Very high89.5Confident1 Ų160.1 Ų60.11%0.00629%0.294CS..Hα-helixtrans-78.3-45.9171.748.40000111.5Q341 L342 Y343 W347 T348 L408 F411Q341-T345 PolarHBondContact O-N 3.11Å; Q341-T345 PolarHBondContact O-OG1 3.05Å; L342-T345 WeakPolarHBondContact CA-OG1 3.45Å; L342-T345 PolarHBondContact O-OG1 2.8Å; Y343-T345 VanDerWaalsContact C-N 3.25Å; Y343-T345 PolarHBondContact O-N 3.19Å; T345-W347 PolarHBondContact O-N 3.35Å; T345-T348 PolarHBondContact O-N 3.36Å; T345-T348 PolarHBondContact O-OG1 2.91Å; T345-L408 HydrophobicContact CG2-CD2 3.68Å; T345-F411 HydrophobicContact CG2-CB 3.7Å; T345-F411 HydrophobicContact CG2-CD1 3.59Å; T345-F411 HydrophobicContact CG2-CD2 4.21Å; T345-F411 HydrophobicContact CG2-CE1 4.28Å; T345-F411 HydrophobicContact CG2-CG 3.54Å
346A90.9Very high90.1Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-66.2-25.9176.800000112.9L342 Y343 T348 S349 N350 L353 F358L342-A346 WeakPolarHBondContact O-CB 3.39Å; L342-A346 PolarHBondContact O-N 3.2Å; Y343-A346 PolarHBondContact O-N 3.09Å; A346-T348 PolarHBondContact O-N 2.68Å; A346-S349 PolarHBondContact O-N 3Å; A346-S349 PolarHBondContact O-OG 3.42Å; A346-N350 PolarHBondContact O-N 3.38Å; A346-L353 HydrophobicContact CB-CD2 3.9Å; A346-F358 HydrophobicContact CB-CE2 4.4Å
347W92.9Very high90.7Very high95 Ų9560.4 Ų60.436%0.3631%0.309SS..THydrogen-bonded Turntrans-66.3-17.8171.6-178.378.8000113.3Y343 T345 N350 V351 L414Y343-W347 VanDerWaalsContact O-CB 3.31Å; Y343-W347 WeakPolarHBondContact O-CB 3.23Å; Y343-W347 PolarHBondContact O-N 2.78Å; T345-W347 PolarHBondContact O-N 3.35Å; W347-N350 CarbonylContact O-C 3.36Å; W347-N350 VanDerWaalsContact O-C 3.24Å; W347-V351 HydrophobicContact CZ2-CG1 3.79Å; W347-V351 PolarHBondContact NE1-O 3.46Å; W347-V351 PolarHBondContact O-N 3.1Å; W347-L414 HydrophobicContact CZ3-CD1 4.2Å
348T90.9Very high91Very high28 Ų2860 Ų6017%0.17231%0.307CS..THydrogen-bonded Turntrans-81.6-18.5177.667.20000114.5T345 A346 C407 M410 F411 L414T345-T348 PolarHBondContact O-N 3.36Å; T345-T348 PolarHBondContact O-OG1 2.91Å; A346-T348 PolarHBondContact O-N 2.68Å; T348-C407 WeakPolarHBondContact OG1-CA 3.49Å; T348-C407 PolarHBondContact OG1-O 3.42Å; T348-C407 VanDerWaalsContact OG1-O 3.11Å; T348-M410 HydrophobicContact CG2-CB 4.44Å; T348-M410 HydrophobicContact CG2-CG 4.26Å; T348-F411 HydrophobicContact CG2-CB 4.16Å; T348-L414 HydrophobicContact CG2-CD1 4.02Å
349S88.2Confident91.1Very high58 Ų5861.7 Ų61.741%0.40631%0.313SS..THydrogen-bonded Turntrans-86-32.2166.954.80000112.2D325 A346D325-S349 WeakPolarHBondContact OD2-CB 3.49Å; D325-S349 PolarHBondContact OD2-OG 3.46Å; A346-S349 PolarHBondContact O-N 3Å; A346-S349 PolarHBondContact O-OG 3.42Å
350N87.9Confident91.1Very high49 Ų4961.9 Ų61.926%0.26232%0.318SS..  trans-135.5101.7179.3-175.9-2.6000111.5A346 W347 D352 L353A346-N350 PolarHBondContact O-N 3.38Å; W347-N350 CarbonylContact O-C 3.36Å; W347-N350 VanDerWaalsContact O-C 3.24Å; N350-D352 PolarHBondContact O-N 3.22Å; N350-D352 PolarHBondContact OD1-N 3.25Å; N350-D352 VanDerWaalsContact OD1-N 3.1Å; N350-L353 HydrophobicContact CB-CB 4.27Å; N350-L353 WeakPolarHBondContact O-CB 3.28Å; N350-L353 PolarHBondContact O-N 3.28Å; N350-L353 VanDerWaalsContact O-N 3.14Å
351V88.8Confident91.1Very high94 Ų9454.8 Ų54.857%0.5729%0.288SS*.THydrogen-bonded Turntrans-66.6-24.8-178-179.80000112.4W347 L353W347-V351 HydrophobicContact CZ2-CG1 3.79Å; W347-V351 PolarHBondContact NE1-O 3.46Å; W347-V351 PolarHBondContact O-N 3.1Å; V351-L353 VanDerWaalsContact C-N 3.25Å; V351-L353 PolarHBondContact O-N 3.43Å
352D89.8Confident91.1Very high144 Ų14452.7 Ų52.777%0.7728%0.279SS*.THydrogen-bonded Turntrans-82-1.6177.7-57.6-46.5000112.9N350 T354N350-D352 PolarHBondContact O-N 3.22Å; N350-D352 PolarHBondContact OD1-N 3.25Å; N350-D352 VanDerWaalsContact OD1-N 3.1Å; D352-T354 PolarHBondContact O-N 3.09Å
353L89.6Confident91Very high6 Ų660.7 Ų60.73%0.03131%0.313CS..  trans-68.9102.6-178.2-179.463.2000111.8T322 Y343 A346 N350 V351 F358T322-L353 HydrophobicContact CG2-CD1 3.53Å; T322-L353 HydrophobicContact CG2-CD2 4.29Å; Y343-L353 HydrophobicContact CE2-CG 4.33Å; Y343-L353 WeakPolarHBondContact CE2-O 3.36Å; Y343-L353 PolarHBondContact OH-O 2.97Å; Y343-L353 VanDerWaalsContact OH-O 3.13Å; A346-L353 HydrophobicContact CB-CD2 3.9Å; N350-L353 HydrophobicContact CB-CB 4.27Å; N350-L353 WeakPolarHBondContact O-CB 3.28Å; N350-L353 PolarHBondContact O-N 3.28Å; N350-L353 VanDerWaalsContact O-N 3.14Å; V351-L353 VanDerWaalsContact C-N 3.25Å; V351-L353 PolarHBondContact O-N 3.43Å; L353-F358 HydrophobicContact CD1-CB 4.15Å; L353-F358 HydrophobicContact CD2-CB 4.38Å; L353-F358 HydrophobicContact CD2-CD2 4.21Å; L353-F358 HydrophobicContact CG-CB 4.24Å
354T92.5Very high90.8Very high68 Ų6863.4 Ų63.442%0.41732%0.323SS..  trans-73.8152.217476.20000112.5D352 S356 S357 F358D352-T354 PolarHBondContact O-N 3.09Å; T354-S356 VanDerWaalsContact C-N 3.27Å; T354-S356 PolarHBondContact O-N 2.89Å; T354-S356 PolarHBondContact OG1-OG 3.47Å; T354-S356 VanDerWaalsContact OG1-OG 3.08Å; T354-S357 PolarHBondContact N-OG 3.13Å; T354-S357 VanDerWaalsContact N-OG 3.13Å; T354-S357 PolarHBondContact O-N 3.25Å; T354-S357 PolarHBondContact O-OG 3.44Å; T354-S357 WeakPolarHBondContact OG1-CB 3.33Å; T354-S357 PolarHBondContact OG1-N 3.27Å; T354-S357 VanDerWaalsContact OG1-N 3.11Å; T354-S357 PolarHBondContact OG1-OG 2.88Å; T354-F358 WeakPolarHBondContact O-CB 3.21Å; T354-F358 PolarHBondContact O-N 3.25Å
355W92.4Very high90.7Very high104 Ų10455.8 Ų55.839%0.39430%0.295SS..Hα-helixtrans-57.2-37.1175.1176.2-107.4000112.8V339 K340 Y343 F358 L359V339-W355 HydrophobicContact CG1-CH2 4.13Å; K340-W355 HydrophobicContact CG-CH2 3.98Å; K340-W355 HydrophobicContact CG-CZ3 4.45Å; Y343-W355 AromaticContact CD1-CE3 3.59Å; Y343-W355 HydrophobicContact CD1-CE3 3.59Å; Y343-W355 HydrophobicContact CD1-CZ3 4.02Å; Y343-W355 AromaticContact CD2-CE3 3.92Å; Y343-W355 HydrophobicContact CD2-CE3 3.92Å; Y343-W355 HydrophobicContact CE1-CB 4.48Å; Y343-W355 HydrophobicContact CE1-CE3 4.05Å; Y343-W355 HydrophobicContact CE2-CB 4.21Å; Y343-W355 HydrophobicContact CE2-CE3 4.32Å; Y343-W355 AromaticContact CG-CE3 3.51Å; Y343-W355 HydrophobicContact CG-CE3 3.51Å; Y343-W355 AromaticContact CG-CZ3 3.83Å; Y343-W355 HydrophobicContact CG-CZ3 3.83Å; Y343-W355 PolarHBondContact OH-N 2.95Å; W355-F358 HydrophobicContact CE3-CD1 4.26Å; W355-F358 HydrophobicContact CZ3-CD1 4.27Å; W355-F358 HydrophobicContact CZ3-CE1 4.3Å; W355-L359 HydrophobicContact CD2-CD1 4.32Å; W355-L359 HydrophobicContact CD2-CG 4.27Å; W355-L359 HydrophobicContact CH2-CD2 4.24Å; W355-L359 HydrophobicContact CZ2-CD1 3.82Å; W355-L359 HydrophobicContact CZ2-CD2 4.06Å; W355-L359 HydrophobicContact CZ2-CG 4.11Å; W355-L359 WeakPolarHBondContact O-CB 3.46Å; W355-L359 WeakPolarHBondContact O-CG 3.47Å; W355-L359 PolarHBondContact O-N 2.93Å
356S92.9Very high90.5Very high84 Ų8458.4 Ų58.459%0.58731%0.313SS*.Hα-helixtrans-68.7-43.8176.239.70000112.3T354 L359 A360T354-S356 VanDerWaalsContact C-N 3.27Å; T354-S356 PolarHBondContact O-N 2.89Å; T354-S356 PolarHBondContact OG1-OG 3.47Å; T354-S356 VanDerWaalsContact OG1-OG 3.08Å; S356-L359 PolarHBondContact O-N 3.27Å; S356-A360 WeakPolarHBondContact O-CB 3.42Å; S356-A360 PolarHBondContact O-N 3.09Å
357S91.1Very high90.2Very high47 Ų4762 Ų6233%0.32933%0.326SS..Hα-helixtrans-65.3-37.6173.947.30000112.7T354 A360 A361T354-S357 PolarHBondContact N-OG 3.13Å; T354-S357 VanDerWaalsContact N-OG 3.13Å; T354-S357 PolarHBondContact O-N 3.25Å; T354-S357 PolarHBondContact O-OG 3.44Å; T354-S357 WeakPolarHBondContact OG1-CB 3.33Å; T354-S357 PolarHBondContact OG1-N 3.27Å; T354-S357 VanDerWaalsContact OG1-N 3.11Å; T354-S357 PolarHBondContact OG1-OG 2.88Å; S357-A360 PolarHBondContact O-N 2.92Å; S357-A361 PolarHBondContact O-N 3.02Å
358F92.4Very high90Very high0 Ų057.4 Ų57.40%031%0.309CS..Hα-helixtrans-63.9-50174.4170.6-93.7000111.8I326 V339 L342 Y343 A346 L353 T354 W355 A360 A361 L362I326-F358 HydrophobicContact CD1-CD2 3.88Å; I326-F358 HydrophobicContact CD1-CE2 3.72Å; I326-F358 HydrophobicContact CG1-CD2 4.18Å; I326-F358 HydrophobicContact CG1-CE2 3.7Å; V339-F358 HydrophobicContact CG1-CE1 3.85Å; V339-F358 HydrophobicContact CG1-CZ 4.49Å; L342-F358 HydrophobicContact CB-CZ 4.17Å; L342-F358 HydrophobicContact CD2-CZ 4.23Å; L342-F358 HydrophobicContact CG-CE2 4.16Å; L342-F358 HydrophobicContact CG-CZ 3.92Å; Y343-F358 HydrophobicContact CD2-CB 3.6Å; Y343-F358 AromaticContact CD2-CD1 3.86Å; Y343-F358 HydrophobicContact CD2-CD1 3.86Å; Y343-F358 AromaticContact CD2-CD2 3.97Å; Y343-F358 HydrophobicContact CD2-CD2 3.97Å; Y343-F358 AromaticContact CD2-CG 3.54Å; Y343-F358 HydrophobicContact CD2-CG 3.54Å; Y343-F358 HydrophobicContact CE2-CB 3.99Å; Y343-F358 HydrophobicContact CE2-CG 4.41Å; Y343-F358 HydrophobicContact CG-CD1 4.25Å; Y343-F358 HydrophobicContact CG-CG 4.31Å; A346-F358 HydrophobicContact CB-CE2 4.4Å; L353-F358 HydrophobicContact CD1-CB 4.15Å; L353-F358 HydrophobicContact CD2-CB 4.38Å; L353-F358 HydrophobicContact CD2-CD2 4.21Å; L353-F358 HydrophobicContact CG-CB 4.24Å; T354-F358 WeakPolarHBondContact O-CB 3.21Å; T354-F358 PolarHBondContact O-N 3.25Å; W355-F358 HydrophobicContact CE3-CD1 4.26Å; W355-F358 HydrophobicContact CZ3-CD1 4.27Å; W355-F358 HydrophobicContact CZ3-CE1 4.3Å; F358-A360 VanDerWaalsContact C-N 3.28Å; F358-A360 PolarHBondContact O-N 3.28Å; F358-A361 PolarHBondContact O-N 2.96Å; F358-A361 VanDerWaalsContact O-N 3.16Å; F358-L362 HydrophobicContact CE1-CD2 4.2Å; F358-L362 HydrophobicContact CZ-CD1 4.42Å; F358-L362 HydrophobicContact CZ-CD2 4.48Å; F358-L362 WeakPolarHBondContact O-CB 3.29Å; F358-L362 PolarHBondContact O-N 3.31Å
359L92.6Very high89.8Confident65 Ų6556.6 Ų56.634%0.3430%0.303SS..Hα-helixtrans-63.8-33.6177.1-73.9-174.3000112.2V339 W355 S356 L362 K363V339-L359 HydrophobicContact CG1-CD2 4.07Å; W355-L359 HydrophobicContact CD2-CD1 4.32Å; W355-L359 HydrophobicContact CD2-CG 4.27Å; W355-L359 HydrophobicContact CH2-CD2 4.24Å; W355-L359 HydrophobicContact CZ2-CD1 3.82Å; W355-L359 HydrophobicContact CZ2-CD2 4.06Å; W355-L359 HydrophobicContact CZ2-CG 4.11Å; W355-L359 WeakPolarHBondContact O-CB 3.46Å; W355-L359 WeakPolarHBondContact O-CG 3.47Å; W355-L359 PolarHBondContact O-N 2.93Å; S356-L359 PolarHBondContact O-N 3.27Å; L359-L362 HydrophobicContact CD2-CD2 4.35Å; L359-K363 WeakPolarHBondContact O-CB 3.41Å; L359-K363 PolarHBondContact O-N 2.99Å
360A90.7Very high89.6Confident38 Ų3856.9 Ų56.931%0.31430%0.296SS..Hα-helixtrans-64.6-43.5172.600000112S356 S357 F358 K363 R364S356-A360 WeakPolarHBondContact O-CB 3.42Å; S356-A360 PolarHBondContact O-N 3.09Å; S357-A360 PolarHBondContact O-N 2.92Å; F358-A360 VanDerWaalsContact C-N 3.28Å; F358-A360 PolarHBondContact O-N 3.28Å; A360-K363 PolarHBondContact O-N 3.32Å; A360-R364 WeakPolarHBondContact O-CG 3.34Å; A360-R364 PolarHBondContact O-N 3.19Å; A360-R364 VanDerWaalsContact O-N 3.15Å
361A90.3Very high89.3Confident2 Ų257.8 Ų57.82%0.01730%0.303CS..Hα-helixtrans-63.4-48174.600000111.8T322 V323 I326 S357 F358 K363 R364 V365T322-A361 HydrophobicContact CG2-CB 3.67Å; V323-A361 HydrophobicContact CG2-CB 4.11Å; I326-A361 HydrophobicContact CD1-CB 4.26Å; S357-A361 PolarHBondContact O-N 3.02Å; F358-A361 PolarHBondContact O-N 2.96Å; F358-A361 VanDerWaalsContact O-N 3.16Å; A361-K363 VanDerWaalsContact C-N 3.31Å; A361-K363 PolarHBondContact O-N 3.48Å; A361-R364 WeakPolarHBondContact O-CB 3.41Å; A361-R364 PolarHBondContact O-N 3.11Å; A361-V365 PolarHBondContact O-N 3.46Å
362L90.3Very high88.7Confident17 Ų1755.4 Ų55.49%0.08929%0.287CS..Hα-helixtrans-59.8-39.6177.5-163.477.5000111.9I326 V339 L342 F358 L359 V365 S366 L369I326-L362 HydrophobicContact CD1-CD1 4.36Å; I326-L362 HydrophobicContact CG2-CD1 4.34Å; V339-L362 HydrophobicContact CG1-CD2 3.67Å; V339-L362 HydrophobicContact CG2-CD2 4.29Å; L342-L362 HydrophobicContact CD2-CD1 4.06Å; F358-L362 HydrophobicContact CE1-CD2 4.2Å; F358-L362 HydrophobicContact CZ-CD1 4.42Å; F358-L362 HydrophobicContact CZ-CD2 4.48Å; F358-L362 WeakPolarHBondContact O-CB 3.29Å; F358-L362 PolarHBondContact O-N 3.31Å; L359-L362 HydrophobicContact CD2-CD2 4.35Å; L362-V365 PolarHBondContact O-N 3.44Å; L362-S366 WeakPolarHBondContact O-CA 3.41Å; L362-S366 PolarHBondContact O-N 3.47Å; L362-L369 HydrophobicContact CD1-CD1 3.49Å; L362-L369 VanDerWaalsContact CD1-CD1 3.49Å; L362-L369 HydrophobicContact CG-CD1 4.22Å
363K89.6Confident87.8Confident167 Ų16756.4 Ų56.473%0.72629%0.293SS*.Hα-helixtrans-66.7-36.2177.3-175.3173.7178.3-179.10112.4L359 A360 A361 S366L359-K363 WeakPolarHBondContact O-CB 3.41Å; L359-K363 PolarHBondContact O-N 2.99Å; A360-K363 PolarHBondContact O-N 3.32Å; A361-K363 VanDerWaalsContact C-N 3.31Å; A361-K363 PolarHBondContact O-N 3.48Å; K363-S366 WeakPolarHBondContact O-CB 3.37Å; K363-S366 PolarHBondContact O-OG 3.01Å
364R89.1Confident87.1Confident105 Ų10560.2 Ų60.240%0.39632%0.316SS..Hα-helixtrans-61.8-48.9174.7-73.4177.3-155.4116.86.7111.7L314 A360 A361 S366L314-R364 WeakPolarHBondContact O-CB 3.35Å; A360-R364 WeakPolarHBondContact O-CG 3.34Å; A360-R364 PolarHBondContact O-N 3.19Å; A360-R364 VanDerWaalsContact O-N 3.15Å; A361-R364 WeakPolarHBondContact O-CB 3.41Å; A361-R364 PolarHBondContact O-N 3.11Å; R364-S366 VanDerWaalsContact C-N 3.34Å; R364-S366 PolarHBondContact O-N 2.69Å
365V89.2Confident86.4Confident0 Ų058.7 Ų58.70%031%0.305CS..THydrogen-bonded Turntrans-92.616.3-178.1-59.20000114.4I315 V323 F327 A361 L362 R367 L368 L369I315-V365 HydrophobicContact CD1-CG1 4.34Å; I315-V365 HydrophobicContact CG1-CG1 3.96Å; V323-V365 HydrophobicContact CG1-CB 4.48Å; V323-V365 HydrophobicContact CG1-CG1 3.62Å; V323-V365 HydrophobicContact CG1-CG2 4.22Å; V323-V365 HydrophobicContact CG2-CG1 4.3Å; F327-V365 HydrophobicContact CE1-CB 4.25Å; F327-V365 HydrophobicContact CE1-CG2 3.94Å; F327-V365 HydrophobicContact CZ-CB 3.95Å; F327-V365 HydrophobicContact CZ-CG1 4.06Å; F327-V365 HydrophobicContact CZ-CG2 4.08Å; A361-V365 PolarHBondContact O-N 3.46Å; L362-V365 PolarHBondContact O-N 3.44Å; V365-R367 PolarHBondContact O-N 3.43Å; V365-L368 WeakPolarHBondContact O-CA 3.41Å; V365-L368 PolarHBondContact O-N 3.28Å; V365-L369 HydrophobicContact CG2-CD1 3.96Å; V365-L369 HydrophobicContact CG2-CG 4.45Å; V365-L369 PolarHBondContact O-N 2.9Å
366S87.9Confident86.1Confident55 Ų5553.7 Ų53.739%0.38529%0.286SS..G310 helixtrans-59.4-21.4-177.557.40000114.3L362 K363 R364 L369L362-S366 WeakPolarHBondContact O-CA 3.41Å; L362-S366 PolarHBondContact O-N 3.47Å; K363-S366 WeakPolarHBondContact O-CB 3.37Å; K363-S366 PolarHBondContact O-OG 3.01Å; R364-S366 VanDerWaalsContact C-N 3.34Å; R364-S366 PolarHBondContact O-N 2.69Å; S366-L369 VanDerWaalsContact O-O 3.04Å
367R84.9Confident85.7Confident75 Ų7550.5 Ų50.528%0.28326%0.262SS..G310 helixtrans-78.3-19172.9-63.1-178179.4-77.8-16.7114.6D288 L290 M310 L314 V365 L369D288-R367 VanDerWaalsContact CG-NH2 3.31Å; D288-R367 IonicContact OD2-CZ 3.67Å; D288-R367 IonicContact OD2-NH1 3.17Å; D288-R367 PolarHBondContact OD2-NH1 3.18Å; D288-R367 IonicContact OD2-NH2 3.84Å; D288-R367 PolarHBondContact OD2-NH2 3.34Å; L290-R367 VanDerWaalsContact CD1-CD 3.49Å; L290-R367 VanDerWaalsContact CD1-NE 3.3Å; M310-R367 HydrophobicContact CE-CB 4.08Å; L314-R367 HydrophobicContact CD1-CB 4.12Å; V365-R367 PolarHBondContact O-N 3.43Å; R367-L369 VanDerWaalsContact C-N 3.34Å
368L88.4Confident85.5Confident0 Ų048.5 Ų48.50%025%0.247CC..G310 helixtrans-100.511.4177.1-57.8172.7000110.8M310 L314 F327 V365 F379 F383M310-L368 HydrophobicContact CB-CD2 4.37Å; M310-L368 HydrophobicContact CE-CD2 3.78Å; M310-L368 HydrophobicContact CE-CG 4.49Å; M310-L368 HydrophobicContact SD-CD2 4.15Å; L314-L368 HydrophobicContact CD1-CD1 4Å; L314-L368 HydrophobicContact CD1-CG 4.03Å; F327-L368 HydrophobicContact CZ-CB 4.26Å; F327-L368 HydrophobicContact CZ-CD1 4.3Å; V365-L368 WeakPolarHBondContact O-CA 3.41Å; V365-L368 PolarHBondContact O-N 3.28Å; L368-F379 HydrophobicContact CB-CD1 4.34Å; L368-F379 HydrophobicContact CB-CE1 4.4Å; L368-F379 HydrophobicContact CD2-CD1 4.47Å; L368-F379 HydrophobicContact CD2-CE1 3.79Å; L368-F379 HydrophobicContact CD2-CZ 4.36Å; L368-F379 WeakPolarHBondContact O-CD1 3.34Å; L368-F379 PolarHBondContact O-N 3.1Å; L368-F383 HydrophobicContact CB-CE1 3.85Å; L368-F383 HydrophobicContact CB-CZ 4.05Å; L368-F383 HydrophobicContact CD1-CE1 4.48Å; L368-F383 HydrophobicContact CD1-CE2 4.33Å; L368-F383 HydrophobicContact CD1-CZ 3.83Å; L368-F383 HydrophobicContact CD2-CE2 4.18Å; L368-F383 HydrophobicContact CD2-CZ 4.19Å; L368-F383 HydrophobicContact CG-CZ 4.24Å
369L88.1Confident85.2Confident11 Ų1150.3 Ų50.36%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-130.9156.8178.9-64.2175.9000109.5F327 L330 L362 V365 S366 R367 T371 L377 L378F327-L369 HydrophobicContact CD1-CD2 4.44Å; F327-L369 HydrophobicContact CE1-CD2 4.12Å; L330-L369 HydrophobicContact CD1-CD2 3.45Å; L330-L369 VanDerWaalsContact CD1-CD2 3.45Å; L362-L369 HydrophobicContact CD1-CD1 3.49Å; L362-L369 VanDerWaalsContact CD1-CD1 3.49Å; L362-L369 HydrophobicContact CG-CD1 4.22Å; V365-L369 HydrophobicContact CG2-CD1 3.96Å; V365-L369 HydrophobicContact CG2-CG 4.45Å; V365-L369 PolarHBondContact O-N 2.9Å; S366-L369 VanDerWaalsContact O-O 3.04Å; R367-L369 VanDerWaalsContact C-N 3.34Å; L369-T371 HydrophobicContact CB-CG2 4.29Å; L369-L377 CarbonylContact C-O 3.59Å; L369-L377 VanDerWaalsContact CA-O 3.32Å; L369-L377 WeakPolarHBondContact CA-O 3.38Å; L369-L377 WeakPolarHBondContact CD2-O 3.46Å; L369-L378 HydrophobicContact CD2-CD2 3.99Å
370W83.7Confident85Confident63 Ų6349.8 Ų49.824%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-112.9122.1160.5178.985.7000107.8P6 D372 M375 C376 L377P6-W370 HydrophobicContact CB-CD2 4.3Å; P6-W370 HydrophobicContact CB-CG 4.08Å; P6-W370 HydrophobicContact CG-CD2 4.12Å; P6-W370 HydrophobicContact CG-CG 4.18Å; W370-D372 HydrophobicContact CH2-CB 3.52Å; W370-D372 HydrophobicContact CZ2-CB 3.93Å; W370-D372 HydrophobicContact CZ3-CB 3.94Å; W370-M375 HydrophobicContact CH2-CE 3.78Å; W370-M375 HydrophobicContact CZ3-CB 3.95Å; W370-M375 HydrophobicContact CZ3-CE 3.65Å; W370-C376 WeakPolarHBondContact O-CA 3.3Å; W370-L377 HydrophobicContact CE3-CB 4.46Å; W370-L377 HydrophobicContact CE3-CD1 4.12Å; W370-L377 HydrophobicContact CE3-CG 4.44Å; W370-L377 HydrophobicContact CZ3-CD1 4.35Å; W370-L377 PolarHBondContact N-O 2.68Å; W370-L377 PolarHBondContact O-N 3.06Å
371T81.8Confident84.8Confident69 Ų6948.5 Ų48.542%0.42324%0.242SC..EExtended strand (participates in β ladder)trans-127.4120.2-177.256.80000111.1L369 M375 C376L369-T371 HydrophobicContact CB-CG2 4.29Å; T371-M375 WeakPolarHBondContact CA-O 3.15Å; T371-C376 HydrophobicContact CG2-CB 4.29Å
372D74.8Confident84.7Confident44 Ų4448.8 Ų48.824%0.23524%0.244CC..EExtended strand (participates in β ladder)trans-111.2165.3168.1-178.515.8000108.1K4 W370 T374 M375K4-D372 IonicContact NZ-OD2 3.96Å; K4-D372 PolarHBondContact NZ-OD2 3.49Å; W370-D372 HydrophobicContact CH2-CB 3.52Å; W370-D372 HydrophobicContact CZ2-CB 3.93Å; W370-D372 HydrophobicContact CZ3-CB 3.94Å; D372-T374 PolarHBondContact O-N 2.92Å; D372-M375 PolarHBondContact N-O 2.88Å; D372-M375 PolarHBondContact O-N 2.95Å; D372-M375 VanDerWaalsContact O-N 3.08Å
373D71.3Confident84.8Confident165 Ų16548 Ų4888%0.88224%0.239SC*.THydrogen-bonded Turntrans-53.6-20.8-175.7-79.2-28.6000113.9
374T75.3Confident84.8Confident85 Ų8540.4 Ų40.452%0.52121%0.208SC..THydrogen-bonded Turntrans-115.8-16.2-17649.90000114.4S338 D372S338-T374 WeakPolarHBondContact CA-O 3.44Å; S338-T374 WeakPolarHBondContact CB-O 3.41Å; D372-T374 PolarHBondContact O-N 2.92Å
375M78.4Confident84.8Confident36 Ų3639 Ų3918%0.17721%0.206CC..EExtended strand (participates in β ladder)trans-145.4133.3-162.8-59.6-160.1-45.300112.8K4 S336 W370 T371 D372K4-M375 HydrophobicContact CB-CE 4.14Å; K4-M375 HydrophobicContact CD-CE 4.17Å; S336-M375 VanDerWaalsContact CB-SD 3.59Å; S336-M375 PolarHBondContact OG-SD 3.09Å; W370-M375 HydrophobicContact CH2-CE 3.78Å; W370-M375 HydrophobicContact CZ3-CB 3.95Å; W370-M375 HydrophobicContact CZ3-CE 3.65Å; T371-M375 WeakPolarHBondContact CA-O 3.15Å; D372-M375 PolarHBondContact N-O 2.88Å; D372-M375 PolarHBondContact O-N 2.95Å; D372-M375 VanDerWaalsContact O-N 3.08Å
376C86.1Confident84.9Confident0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-118.6133.6169.3-174.90000109.6L337 L342 W370 T371L337-C376 WeakPolarHBondContact O-CB 3.46Å; L337-C376 PolarHBondContact O-N 2.95Å; L342-C376 HydrophobicContact CD2-CB 4.06Å; W370-C376 WeakPolarHBondContact O-CA 3.3Å; T371-C376 HydrophobicContact CG2-CB 4.29Å
377L83.5Confident85.1Confident16 Ų1636.5 Ų36.58%0.08419%0.188CC..EExtended strand (participates in β ladder)trans-140.7161.1178-67.5174.9000110.1F76 L369 W370F76-L377 HydrophobicContact CB-CD2 3.98Å; L369-L377 CarbonylContact C-O 3.59Å; L369-L377 VanDerWaalsContact CA-O 3.32Å; L369-L377 WeakPolarHBondContact CA-O 3.38Å; L369-L377 WeakPolarHBondContact CD2-O 3.46Å; W370-L377 HydrophobicContact CE3-CB 4.46Å; W370-L377 HydrophobicContact CE3-CD1 4.12Å; W370-L377 HydrophobicContact CE3-CG 4.44Å; W370-L377 HydrophobicContact CZ3-CD1 4.35Å; W370-L377 PolarHBondContact N-O 2.68Å; W370-L377 PolarHBondContact O-N 3.06Å
378L87.8Confident85.4Confident5 Ų536.3 Ų36.33%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-69.1138.7162.8-65.1171.8000109F76 F327 L330 L331 L369 H380 F383 A384 L387F76-L378 HydrophobicContact CE1-CB 4.3Å; F76-L378 HydrophobicContact CE1-CD1 4.04Å; F76-L378 HydrophobicContact CE2-CB 4.37Å; F76-L378 HydrophobicContact CZ-CB 3.98Å; F76-L378 HydrophobicContact CZ-CD1 4.36Å; F327-L378 HydrophobicContact CD1-CD2 3.76Å; F327-L378 HydrophobicContact CE1-CD2 4.16Å; F327-L378 HydrophobicContact CG-CD2 4.44Å; L330-L378 HydrophobicContact CB-CD1 4.43Å; L330-L378 HydrophobicContact CB-CD2 4.38Å; L330-L378 HydrophobicContact CB-CG 4.03Å; L330-L378 HydrophobicContact CD1-CD2 4.22Å; L330-L378 HydrophobicContact CD1-CG 4.46Å; L331-L378 HydrophobicContact CD2-CD1 3.58Å; L331-L378 HydrophobicContact CG-CD1 3.93Å; L369-L378 HydrophobicContact CD2-CD2 3.99Å; L378-H380 VanDerWaalsContact C-N 3.32Å; L378-H380 PolarHBondContact O-N 2.91Å; L378-F383 HydrophobicContact CD2-CD1 4.22Å; L378-F383 HydrophobicContact CD2-CE1 4.18Å; L378-A384 HydrophobicContact CD1-CB 3.68Å; L378-L387 HydrophobicContact CD2-CD1 4.41Å
379F86.1Confident85.4Confident38 Ų3839 Ų3917%0.16721%0.206CC..SBendtrans-65.6-28.5-168.679.2-76.5000114.8L277 L281 Y307 L368 F383L277-F379 HydrophobicContact CD1-CD2 4.43Å; L277-F379 HydrophobicContact CD1-CE2 4.04Å; L277-F379 HydrophobicContact CD2-CE2 4.2Å; L277-F379 HydrophobicContact CG-CE2 4.37Å; L281-F379 HydrophobicContact CD1-CE2 3.84Å; L281-F379 HydrophobicContact CD1-CZ 3.95Å; L281-F379 HydrophobicContact CD2-CD2 4.38Å; L281-F379 HydrophobicContact CD2-CE2 3.79Å; L281-F379 HydrophobicContact CD2-CZ 4.23Å; L281-F379 HydrophobicContact CG-CE2 4.23Å; Y307-F379 HydrophobicContact CD1-CZ 4.42Å; Y307-F379 AromaticContact CE1-CZ 3.68Å; Y307-F379 HydrophobicContact CE1-CZ 3.68Å; L368-F379 HydrophobicContact CB-CD1 4.34Å; L368-F379 HydrophobicContact CB-CE1 4.4Å; L368-F379 HydrophobicContact CD2-CD1 4.47Å; L368-F379 HydrophobicContact CD2-CE1 3.79Å; L368-F379 HydrophobicContact CD2-CZ 4.36Å; L368-F379 WeakPolarHBondContact O-CD1 3.34Å; L368-F379 PolarHBondContact O-N 3.1Å; F379-F383 HydrophobicContact CD1-CB 4.15Å; F379-F383 AromaticContact CD1-CD1 3.99Å; F379-F383 HydrophobicContact CD1-CD1 3.99Å; F379-F383 HydrophobicContact CD1-CG 4.19Å; F379-F383 HydrophobicContact CE1-CB 3.44Å; F379-F383 VanDerWaalsContact CE1-CB 3.44Å; F379-F383 AromaticContact CE1-CD1 3.68Å; F379-F383 HydrophobicContact CE1-CD1 3.68Å; F379-F383 HydrophobicContact CE1-CD2 4.09Å; F379-F383 HydrophobicContact CE1-CE1 4.47Å; F379-F383 AromaticContact CE1-CG 3.46Å; F379-F383 HydrophobicContact CE1-CG 3.46Å; F379-F383 VanDerWaalsContact CE1-CG 3.46Å; F379-F383 HydrophobicContact CZ-CB 3.97Å; F379-F383 HydrophobicContact CZ-CG 4.31Å
380H88Confident85.2Confident54 Ų5443.2 Ų43.225%0.2523%0.233CC..  trans-156.2146.8-179.3-172.3-100.2000112.6L277 L378 S382 F383L277-H380 HydrophobicContact CD2-CB 3.88Å; L277-H380 VanDerWaalsContact CD2-CG 3.42Å; L277-H380 VanDerWaalsContact CD2-ND1 3.32Å; L277-H380 WeakPolarHBondContact CD2-ND1 3.43Å; L378-H380 VanDerWaalsContact C-N 3.32Å; L378-H380 PolarHBondContact O-N 2.91Å; H380-S382 PolarHBondContact CE1-OG 2.79Å; H380-S382 VanDerWaalsContact CE1-OG 3.25Å; H380-S382 PolarHBondContact ND1-N 2.96Å; H380-S382 PolarHBondContact ND1-OG 3.43Å; H380-S382 PolarHBondContact O-N 3.27Å; H380-F383 PolarHBondContact O-N 2.85Å; H380-F383 VanDerWaalsContact O-N 3.1Å
381G85.6Confident85.1Confident12 Ų1248.2 Ų48.212%0.12426%0.256CS..Hα-helixtrans-56.7-41.4-175.300000115F383 A384 E385G381-F383 VanDerWaalsContact C-N 3.26Å; G381-F383 PolarHBondContact O-N 3.16Å; G381-A384 WeakPolarHBondContact O-CB 3.46Å; G381-A384 PolarHBondContact O-N 2.66Å; G381-A384 VanDerWaalsContact O-N 3.13Å; G381-E385 PolarHBondContact O-N 3.43Å; G381-E385 VanDerWaalsContact O-N 3.07Å
382S89Confident85Confident7 Ų748.9 Ų48.95%0.04925%0.254CS..Hα-helixtrans-68.9-19.9179.253.30000114.4Y307 H380 W386Y307-S382 PolarHBondContact OH-OG 3.03Å; H380-S382 PolarHBondContact CE1-OG 2.79Å; H380-S382 VanDerWaalsContact CE1-OG 3.25Å; H380-S382 PolarHBondContact ND1-N 2.96Å; H380-S382 PolarHBondContact ND1-OG 3.43Å; H380-S382 PolarHBondContact O-N 3.27Å; S382-W386 WeakPolarHBondContact O-CB 3.32Å; S382-W386 PolarHBondContact O-N 3.37Å
383F91.9Very high85.3Confident0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-74-37.4171.9-179.5-114.9000110.9Y307 F327 L368 L378 F379 H380 G381 E385 W386 L387Y307-F383 HydrophobicContact CD1-CD2 4.16Å; Y307-F383 HydrophobicContact CD2-CB 4.43Å; Y307-F383 AromaticContact CD2-CD2 3.87Å; Y307-F383 HydrophobicContact CD2-CD2 3.87Å; Y307-F383 HydrophobicContact CE2-CB 3.95Å; Y307-F383 HydrophobicContact CE2-CD2 4.24Å; Y307-F383 AromaticContact CG-CD2 3.8Å; Y307-F383 HydrophobicContact CG-CD2 3.8Å; Y307-F383 HydrophobicContact CG-CE2 4.47Å; F327-F383 HydrophobicContact CE1-CE1 4.28Å; F327-F383 HydrophobicContact CE2-CE1 4.17Å; F327-F383 AromaticContact CE2-CZ 3.93Å; F327-F383 HydrophobicContact CE2-CZ 3.93Å; F327-F383 AromaticContact CZ-CE1 3.95Å; F327-F383 HydrophobicContact CZ-CE1 3.95Å; F327-F383 AromaticContact CZ-CZ 3.99Å; F327-F383 HydrophobicContact CZ-CZ 3.99Å; L368-F383 HydrophobicContact CB-CE1 3.85Å; L368-F383 HydrophobicContact CB-CZ 4.05Å; L368-F383 HydrophobicContact CD1-CE1 4.48Å; L368-F383 HydrophobicContact CD1-CE2 4.33Å; L368-F383 HydrophobicContact CD1-CZ 3.83Å; L368-F383 HydrophobicContact CD2-CE2 4.18Å; L368-F383 HydrophobicContact CD2-CZ 4.19Å; L368-F383 HydrophobicContact CG-CZ 4.24Å; L378-F383 HydrophobicContact CD2-CD1 4.22Å; L378-F383 HydrophobicContact CD2-CE1 4.18Å; F379-F383 HydrophobicContact CD1-CB 4.15Å; F379-F383 AromaticContact CD1-CD1 3.99Å; F379-F383 HydrophobicContact CD1-CD1 3.99Å; F379-F383 HydrophobicContact CD1-CG 4.19Å; F379-F383 HydrophobicContact CE1-CB 3.44Å; F379-F383 VanDerWaalsContact CE1-CB 3.44Å; F379-F383 AromaticContact CE1-CD1 3.68Å; F379-F383 HydrophobicContact CE1-CD1 3.68Å; F379-F383 HydrophobicContact CE1-CD2 4.09Å; F379-F383 HydrophobicContact CE1-CE1 4.47Å; F379-F383 AromaticContact CE1-CG 3.46Å; F379-F383 HydrophobicContact CE1-CG 3.46Å; F379-F383 VanDerWaalsContact CE1-CG 3.46Å; F379-F383 HydrophobicContact CZ-CB 3.97Å; F379-F383 HydrophobicContact CZ-CG 4.31Å; H380-F383 PolarHBondContact O-N 2.85Å; H380-F383 VanDerWaalsContact O-N 3.1Å; G381-F383 VanDerWaalsContact C-N 3.26Å; G381-F383 PolarHBondContact O-N 3.16Å; F383-E385 VanDerWaalsContact C-N 3.34Å; F383-W386 AromaticContact CD2-CE3 3.87Å; F383-W386 HydrophobicContact CD2-CE3 3.87Å; F383-W386 HydrophobicContact CD2-CZ3 4.43Å; F383-W386 AromaticContact CE2-CE3 3.6Å; F383-W386 HydrophobicContact CE2-CE3 3.6Å; F383-W386 AromaticContact CE2-CZ3 3.71Å; F383-W386 HydrophobicContact CE2-CZ3 3.71Å; F383-W386 HydrophobicContact CZ-CZ3 4.49Å; F383-W386 PolarHBondContact O-N 3.47Å; F383-L387 HydrophobicContact CD1-CD1 3.95Å; F383-L387 HydrophobicContact CD1-CG 4.45Å; F383-L387 HydrophobicContact CE1-CD1 3.51Å; F383-L387 HydrophobicContact CE1-CG 4.08Å; F383-L387 HydrophobicContact CE2-CD2 4.3Å; F383-L387 HydrophobicContact CE2-CG 4.2Å; F383-L387 HydrophobicContact CZ-CD1 3.82Å; F383-L387 HydrophobicContact CZ-CD2 3.97Å; F383-L387 HydrophobicContact CZ-CG 3.93Å; F383-L387 WeakPolarHBondContact O-CB 3.47Å; F383-L387 VanDerWaalsContact O-CG 3.32Å; F383-L387 WeakPolarHBondContact O-CG 3.34Å; F383-L387 PolarHBondContact O-N 3.11Å
384A89.9Confident85.8Confident8 Ų841.9 Ų41.97%0.06622%0.219CC..Hα-helixtrans-64-39172.300000112.7F76 L331 L378 G381 L388F76-A384 HydrophobicContact CE1-CB 3.52Å; F76-A384 HydrophobicContact CZ-CB 3.51Å; L331-A384 HydrophobicContact CD2-CB 3.48Å; L331-A384 VanDerWaalsContact CD2-CB 3.48Å; L378-A384 HydrophobicContact CD1-CB 3.68Å; G381-A384 WeakPolarHBondContact O-CB 3.46Å; G381-A384 PolarHBondContact O-N 2.66Å; G381-A384 VanDerWaalsContact O-N 3.13Å; A384-L388 WeakPolarHBondContact O-CG 3.39Å; A384-L388 PolarHBondContact O-N 3.46Å
385E88.7Confident86.3Confident75 Ų7544.6 Ų44.635%0.3523%0.226SC..Hα-helixtrans-66.7-44.3173.5-74.4150.5-148.300111.7R206 G381 F383 L387 L388 D389R206-E385 IonicContact CZ-OE1 3.25Å; R206-E385 IonicContact CZ-OE2 3.25Å; R206-E385 IonicContact NH1-OE1 3.73Å; R206-E385 PolarHBondContact NH1-OE1 2.95Å; R206-E385 IonicContact NH1-OE2 3.93Å; R206-E385 PolarHBondContact NH1-OE2 3.19Å; R206-E385 IonicContact NH2-OE1 2.62Å; R206-E385 PolarHBondContact NH2-OE1 3.03Å; R206-E385 IonicContact NH2-OE2 2.75Å; G381-E385 PolarHBondContact O-N 3.43Å; G381-E385 VanDerWaalsContact O-N 3.07Å; F383-E385 VanDerWaalsContact C-N 3.34Å; E385-L387 PolarHBondContact O-N 2.98Å; E385-L388 CarbonylContact O-C 3.52Å; E385-L388 PolarHBondContact O-N 3.44Å; E385-D389 WeakPolarHBondContact O-CB 3.22Å; E385-D389 PolarHBondContact O-N 2.94Å
386W92.8Very high86.7Confident3 Ų347.3 Ų47.31%0.01124%0.237CC..Hα-helixtrans-57.9-45.7174.9179.377.8000112.1Y307 L308 C311 S382 F383 L388 D389 H392 S393 Y397Y307-W386 HydrophobicContact CD2-CB 3.77Å; Y307-W386 HydrophobicContact CD2-CD2 4.1Å; Y307-W386 HydrophobicContact CD2-CE3 4.49Å; Y307-W386 AromaticContact CD2-CG 3.78Å; Y307-W386 HydrophobicContact CD2-CG 3.78Å; Y307-W386 HydrophobicContact CE2-CB 4.24Å; Y307-W386 HydrophobicContact CG-CD2 4.48Å; L308-W386 HydrophobicContact CB-CZ2 3.92Å; L308-W386 HydrophobicContact CD1-CZ2 4.24Å; C311-W386 HydrophobicContact CB-CH2 4.4Å; S382-W386 WeakPolarHBondContact O-CB 3.32Å; S382-W386 PolarHBondContact O-N 3.37Å; F383-W386 AromaticContact CD2-CE3 3.87Å; F383-W386 HydrophobicContact CD2-CE3 3.87Å; F383-W386 HydrophobicContact CD2-CZ3 4.43Å; F383-W386 AromaticContact CE2-CE3 3.6Å; F383-W386 HydrophobicContact CE2-CE3 3.6Å; F383-W386 AromaticContact CE2-CZ3 3.71Å; F383-W386 HydrophobicContact CE2-CZ3 3.71Å; F383-W386 HydrophobicContact CZ-CZ3 4.49Å; F383-W386 PolarHBondContact O-N 3.47Å; W386-L388 PolarHBondContact O-N 2.68Å; W386-L388 VanDerWaalsContact O-N 3.09Å; W386-D389 PolarHBondContact O-N 3.42Å; W386-H392 VanDerWaalsContact NE1-C 3.31Å; W386-H392 PolarHBondContact NE1-O 3.48Å; W386-S393 WeakPolarHBondContact O-CB 3.49Å; W386-Y397 HydrophobicContact CH2-CD2 4.12Å; W386-Y397 HydrophobicContact CH2-CG 4.19Å
387L92.2Very high86.9Confident0 Ų047.4 Ų47.40%024%0.237CC..THydrogen-bonded Turntrans-60.8-16.7175.9-74.3174.9000114.3F327 L331 L378 F383 E385 C399F327-L387 HydrophobicContact CB-CD1 4.02Å; F327-L387 HydrophobicContact CD2-CD1 3.76Å; F327-L387 HydrophobicContact CD2-CD2 3.92Å; F327-L387 HydrophobicContact CE2-CD1 4.33Å; F327-L387 HydrophobicContact CE2-CD2 4.27Å; F327-L387 HydrophobicContact CG-CD1 3.91Å; L331-L387 HydrophobicContact CD1-CB 4.15Å; L331-L387 HydrophobicContact CD1-CD1 4.39Å; L378-L387 HydrophobicContact CD2-CD1 4.41Å; F383-L387 HydrophobicContact CD1-CD1 3.95Å; F383-L387 HydrophobicContact CD1-CG 4.45Å; F383-L387 HydrophobicContact CE1-CD1 3.51Å; F383-L387 HydrophobicContact CE1-CG 4.08Å; F383-L387 HydrophobicContact CE2-CD2 4.3Å; F383-L387 HydrophobicContact CE2-CG 4.2Å; F383-L387 HydrophobicContact CZ-CD1 3.82Å; F383-L387 HydrophobicContact CZ-CD2 3.97Å; F383-L387 HydrophobicContact CZ-CG 3.93Å; F383-L387 WeakPolarHBondContact O-CB 3.47Å; F383-L387 VanDerWaalsContact O-CG 3.32Å; F383-L387 WeakPolarHBondContact O-CG 3.34Å; F383-L387 PolarHBondContact O-N 3.11Å; E385-L387 PolarHBondContact O-N 2.98Å; L387-C399 HydrophobicContact CB-CB 4.36Å; L387-C399 PolarHBondContact O-N 3.2Å
388L90.7Very high87.2Confident71 Ų7148 Ų4837%0.37224%0.24SC..THydrogen-bonded Turntrans-106-9.1176.3-66.3172.7000112.9L331 A384 E385 W386 V390 K401L331-L388 HydrophobicContact CD1-CD2 4.07Å; L331-L388 HydrophobicContact CD1-CG 4.23Å; L331-L388 HydrophobicContact CD2-CD1 4.18Å; L331-L388 HydrophobicContact CD2-CG 4.32Å; A384-L388 WeakPolarHBondContact O-CG 3.39Å; A384-L388 PolarHBondContact O-N 3.46Å; E385-L388 CarbonylContact O-C 3.52Å; E385-L388 PolarHBondContact O-N 3.44Å; W386-L388 PolarHBondContact O-N 2.68Å; W386-L388 VanDerWaalsContact O-N 3.09Å; L388-V390 PolarHBondContact O-N 3.29Å; L388-K401 HydrophobicContact CD2-CB 4.2Å
389D87.9Confident87.4Confident56 Ų5647.9 Ų47.930%0.29924%0.24SC..  trans-88.9103.9-173.6-173.4-7.4000111.9E385 W386 K391 H392 S393E385-D389 WeakPolarHBondContact O-CB 3.22Å; E385-D389 PolarHBondContact O-N 2.94Å; W386-D389 PolarHBondContact O-N 3.42Å; D389-K391 PolarHBondContact O-N 2.88Å; D389-K391 VanDerWaalsContact O-N 3.12Å; D389-K391 WeakPolarHBondContact OD1-CA 3.46Å; D389-K391 VanDerWaalsContact OD1-CB 3.23Å; D389-K391 WeakPolarHBondContact OD1-CB 3.01Å; D389-K391 PolarHBondContact OD1-N 3.12Å; D389-H392 HydrophobicContact CB-CB 4.39Å; D389-H392 PolarHBondContact O-N 3.11Å; D389-H392 VanDerWaalsContact O-N 3.11Å; D389-H392 IonicContact OD2-CD2 3.04Å; D389-H392 PolarHBondContact OD2-CD2 3.04Å; D389-H392 IonicContact OD2-CG 3.62Å; D389-S393 PolarHBondContact O-N 3.49Å
390V84Confident87.5Confident100 Ų10053.5 Ų53.561%0.60626%0.26SS*.THydrogen-bonded Turntrans-59.1-20.6177.2-169.30000113.1L388 L398L388-V390 PolarHBondContact O-N 3.29Å; V390-L398 HydrophobicContact CG2-CD1 4.28Å; V390-L398 HydrophobicContact CG2-CD2 4.15Å
391K81.6Confident87.6Confident169 Ų16953.5 Ų53.574%0.73526%0.26SS*.THydrogen-bonded Turntrans-86.3-26.9178.1-170.5-175.1176.7-173.80113D389D389-K391 PolarHBondContact O-N 2.88Å; D389-K391 VanDerWaalsContact O-N 3.12Å; D389-K391 WeakPolarHBondContact OD1-CA 3.46Å; D389-K391 VanDerWaalsContact OD1-CB 3.23Å; D389-K391 WeakPolarHBondContact OD1-CB 3.01Å; D389-K391 PolarHBondContact OD1-N 3.12Å
392H80.1Confident87.8Confident82 Ų8254.8 Ų54.838%0.3826%0.263SS..THydrogen-bonded Turntrans-124.3-24.8-167.8-72.4-42.5000115.4N304 W386 D389N304-H392 HydrophobicContact CB-CB 4.45Å; N304-H392 WeakPolarHBondContact ND2-CB 3.14Å; N304-H392 PolarHBondContact ND2-CD2 2.92Å; N304-H392 VanDerWaalsContact ND2-CD2 3.34Å; N304-H392 VanDerWaalsContact ND2-CG 3.31Å; W386-H392 VanDerWaalsContact NE1-C 3.31Å; W386-H392 PolarHBondContact NE1-O 3.48Å; D389-H392 HydrophobicContact CB-CB 4.39Å; D389-H392 PolarHBondContact O-N 3.11Å; D389-H392 VanDerWaalsContact O-N 3.11Å; D389-H392 IonicContact OD2-CD2 3.04Å; D389-H392 PolarHBondContact OD2-CD2 3.04Å; D389-H392 IonicContact OD2-CG 3.62Å
393S79.9Confident87.9Confident5 Ų557.1 Ų57.14%0.03528%0.275CS..SBendtrans-87.6137.7161173.20000109.9W386 D389 L398W386-S393 WeakPolarHBondContact O-CB 3.49Å; D389-S393 PolarHBondContact O-N 3.49Å; S393-L398 PolarHBondContact OG-N 3.01Å; S393-L398 VanDerWaalsContact OG-N 3.16Å
394T83.1Confident87.8Confident58 Ų5857.1 Ų57.136%0.35628%0.275SS..  trans-69.1157.8170.462.90000110.2L308 K396 Y397 L398L308-T394 HydrophobicContact CD1-CG2 3.85Å; L308-T394 HydrophobicContact CD2-CG2 4.29Å; T394-K396 PolarHBondContact O-N 3.44Å; T394-Y397 PolarHBondContact O-N 2.94Å; T394-Y397 WeakPolarHBondContact OG1-CD2 3.48Å; T394-L398 PolarHBondContact O-N 3.49Å
395Q84.9Confident87.9Confident142 Ų14257 Ų5766%0.66427%0.273SS*.THydrogen-bonded Turntrans-60.3-17.7175.8-65.1-70-18.800113.2Y397Q395-Y397 VanDerWaalsContact C-N 3.34Å
396K86.6Confident88Confident93 Ų9354.3 Ų54.340%0.40427%0.265SS..THydrogen-bonded Turntrans-64.3-36.5170.8-175.7179.9175.8-171.40111.8D312 G316 Y320 T394D312-K396 IonicContact OD1-NZ 2.74Å; D312-K396 PolarHBondContact OD1-NZ 2.84Å; G316-K396 PolarHBondContact O-NZ 3.39Å; Y320-K396 WeakPolarHBondContact CD1-O 3.44Å; Y320-K396 WeakPolarHBondContact CE1-O 3.09Å; T394-K396 PolarHBondContact O-N 3.44Å
397Y90.2Very high88Confident2 Ų254.6 Ų54.61%0.00827%0.268CS..THydrogen-bonded Turntrans-113.1-10.4-171.8-60.2-57.8000115L308 C311 D312 I315 Y320 W386 T394 Q395 C399L308-Y397 HydrophobicContact CD1-CD2 3.73Å; L308-Y397 HydrophobicContact CD1-CE2 3.75Å; C311-Y397 HydrophobicContact CB-CD1 4.02Å; C311-Y397 HydrophobicContact CB-CD2 4.18Å; C311-Y397 HydrophobicContact CB-CE1 3.83Å; C311-Y397 HydrophobicContact CB-CE2 4Å; C311-Y397 HydrophobicContact CB-CG 4.2Å; D312-Y397 VanDerWaalsContact CA-OH 3.28Å; D312-Y397 WeakPolarHBondContact CA-OH 3.44Å; D312-Y397 PolarHBondContact N-OH 3.16Å; D312-Y397 PolarHBondContact OD1-OH 3.41Å; I315-Y397 HydrophobicContact CD1-CD1 4.12Å; I315-Y397 HydrophobicContact CD1-CE1 3.67Å; Y320-Y397 HydrophobicContact CD1-CD1 4.47Å; Y320-Y397 HydrophobicContact CD2-CD1 4.16Å; Y320-Y397 HydrophobicContact CD2-CE1 4.32Å; Y320-Y397 HydrophobicContact CE1-CD1 4.15Å; Y320-Y397 AromaticContact CE2-CD1 3.81Å; Y320-Y397 HydrophobicContact CE2-CD1 3.81Å; Y320-Y397 HydrophobicContact CE2-CE1 4.33Å; Y320-Y397 HydrophobicContact CG-CD1 4.47Å; Y320-Y397 AromaticContact CZ-CD1 3.81Å; Y320-Y397 PolarHBondContact OH-O 3.47Å; W386-Y397 HydrophobicContact CH2-CD2 4.12Å; W386-Y397 HydrophobicContact CH2-CG 4.19Å; T394-Y397 PolarHBondContact O-N 2.94Å; T394-Y397 WeakPolarHBondContact OG1-CD2 3.48Å; Q395-Y397 VanDerWaalsContact C-N 3.34Å; Y397-C399 PolarHBondContact O-N 2.77Å; Y397-C399 PolarHBondContact O-SG 2.97Å
398L90.6Very high88Confident27 Ų2755 Ų5514%0.14127%0.27CS..  trans-60.1120-180-174.269.7000110.9V390 S393 T394V390-L398 HydrophobicContact CG2-CD1 4.28Å; V390-L398 HydrophobicContact CG2-CD2 4.15Å; S393-L398 PolarHBondContact OG-N 3.01Å; S393-L398 VanDerWaalsContact OG-N 3.16Å; T394-L398 PolarHBondContact O-N 3.49Å
399C91.5Very high88.1Confident4 Ų451.6 Ų51.63%0.02725%0.252CS..  trans-97.4162.3175.9-66.50000110.5L331 L387 Y397L331-C399 HydrophobicContact CD1-CB 3.59Å; L387-C399 HydrophobicContact CB-CB 4.36Å; L387-C399 PolarHBondContact O-N 3.2Å; Y397-C399 PolarHBondContact O-N 2.77Å; Y397-C399 PolarHBondContact O-SG 2.97Å
400R89.1Confident88.3Confident156 Ų15652.6 Ų52.659%0.58926%0.256SS*.  trans-125.7119.2175.4-63177.1176177.3-1.4109.3I402 D403R400-I402 HydrophobicContact CB-CG2 4.21Å; R400-I402 PolarHBondContact O-N 3.41Å; R400-I402 VanDerWaalsContact O-N 3.15Å; R400-D403 HydrophobicContact CB-CB 4.42Å; R400-D403 PolarHBondContact O-N 3.49Å; R400-D403 VanDerWaalsContact O-N 3.08Å
401K89Confident88.7Confident54 Ų5449 Ų4924%0.23523%0.232CC..Hα-helixtrans-53.5-37.8178.6-166.3174173174.80111.4D172 L331 A332 L388 D403 G404 H405D172-K401 IonicContact OD1-NZ 2.86Å; D172-K401 PolarHBondContact OD1-NZ 2.83Å; D172-K401 IonicContact OD2-NZ 3.76Å; D172-K401 PolarHBondContact OD2-NZ 3.09Å; L331-K401 WeakPolarHBondContact O-CE 3.34Å; A332-K401 HydrophobicContact CB-CG 4.32Å; A332-K401 WeakPolarHBondContact CB-O 3.34Å; L388-K401 HydrophobicContact CD2-CB 4.2Å; K401-D403 PolarHBondContact O-N 2.68Å; K401-G404 PolarHBondContact O-N 3.38Å; K401-G404 VanDerWaalsContact O-N 3.16Å; K401-H405 PolarHBondContact O-CD2 2.94Å; K401-H405 PolarHBondContact O-N 3.45Å
402I90.2Very high89.2Confident39 Ų3941.2 Ų41.220%0.220%0.198CC..Hα-helixtrans-63.1-34.8179.5-163.8165.2000114.2R400 G404 H405 G406 K433 M434 S436 L437R400-I402 HydrophobicContact CB-CG2 4.21Å; R400-I402 PolarHBondContact O-N 3.41Å; R400-I402 VanDerWaalsContact O-N 3.15Å; I402-G404 PolarHBondContact O-N 3.05Å; I402-H405 PolarHBondContact O-N 3.07Å; I402-H405 VanDerWaalsContact O-N 3.16Å; I402-G406 PolarHBondContact O-N 3.11Å; I402-K433 WeakPolarHBondContact CD1-O 3.41Å; I402-M434 HydrophobicContact CG1-CG 4.5Å; I402-S436 WeakPolarHBondContact CD1-OG 3.33Å; I402-L437 HydrophobicContact CD1-CD1 4.29Å; I402-L437 HydrophobicContact CD1-CD2 4.06Å; I402-L437 HydrophobicContact CD1-CG 3.79Å
403D90.1Very high89.7Confident55 Ų5537.7 Ų37.729%0.29418%0.183SC..Hα-helixtrans-63.8-38176.8-57.4-0.5000109.6R400 K401 G406 C407R400-D403 HydrophobicContact CB-CB 4.42Å; R400-D403 PolarHBondContact O-N 3.49Å; R400-D403 VanDerWaalsContact O-N 3.08Å; K401-D403 PolarHBondContact O-N 2.68Å; D403-G406 PolarHBondContact O-N 3.12Å; D403-C407 PolarHBondContact O-N 2.98Å; D403-C407 PolarHBondContact O-SG 2.84Å
404G91.3Very high90.2Very high0 Ų042.3 Ų42.30%021%0.207CC..Hα-helixtrans-67.5-39.5171.900000114.2S328 K401 I402 G406 C407 L408S328-G404 WeakPolarHBondContact O-CA 3.46Å; K401-G404 PolarHBondContact O-N 3.38Å; K401-G404 VanDerWaalsContact O-N 3.16Å; I402-G404 PolarHBondContact O-N 3.05Å; G404-G406 VanDerWaalsContact C-N 3.3Å; G404-G406 PolarHBondContact O-N 2.88Å; G404-C407 PolarHBondContact O-N 3.42Å; G404-L408 WeakPolarHBondContact O-CB 3.26Å; G404-L408 WeakPolarHBondContact O-CG 3.46Å; G404-L408 PolarHBondContact O-N 2.76Å
405H91.6Very high90.5Very high6 Ų643.1 Ų43.13%0.02820%0.203CC..Hα-helixtrans-61-40.8170.9-75.9-90.5000110.6A332 K401 I402 L408 A409 Y429 H430 K433 M434A332-H405 VanDerWaalsContact CB-N 3.35Å; K401-H405 PolarHBondContact O-CD2 2.94Å; K401-H405 PolarHBondContact O-N 3.45Å; I402-H405 PolarHBondContact O-N 3.07Å; I402-H405 VanDerWaalsContact O-N 3.16Å; H405-L408 PolarHBondContact O-N 3.11Å; H405-A409 VanDerWaalsContact O-CB 3.24Å; H405-A409 WeakPolarHBondContact O-CB 3.47Å; H405-A409 PolarHBondContact O-N 2.85Å; H405-Y429 AromaticContact CE1-CE1 3.56Å; H405-H430 AromaticContact CE1-ND1 3.87Å; H405-H430 AromaticContact CG-ND1 3.86Å; H405-H430 AromaticContact ND1-ND1 3.11Å; H405-H430 PolarHBondContact ND1-ND1 3.12Å; H405-H430 VanDerWaalsContact ND1-ND1 3.11Å; H405-K433 HydrophobicContact CB-CB 4.49Å; H405-M434 HydrophobicContact CB-CG 4.48Å
406G91.5Very high90.6Very high18 Ų1836.7 Ų36.719%0.18617%0.174CC..Hα-helixtrans-59.3-48.4173.600000113.3I402 D403 G404 L408 A409 M410I402-G406 PolarHBondContact O-N 3.11Å; D403-G406 PolarHBondContact O-N 3.12Å; G404-G406 VanDerWaalsContact C-N 3.3Å; G404-G406 PolarHBondContact O-N 2.88Å; G406-L408 VanDerWaalsContact C-N 3.33Å; G406-L408 PolarHBondContact O-N 2.68Å; G406-A409 PolarHBondContact O-N 3.04Å; G406-M410 WeakPolarHBondContact O-CB 3.35Å; G406-M410 PolarHBondContact O-N 2.77Å
407C92.6Very high90.6Very high10 Ų1036.8 Ų36.87%0.06819%0.187CC..Hα-helixtrans-60.8-40.9176.7-63.60000112.5V329 T348 D403 G404 F411V329-C407 HydrophobicContact CG2-CB 3.6Å; T348-C407 WeakPolarHBondContact OG1-CA 3.49Å; T348-C407 PolarHBondContact OG1-O 3.42Å; T348-C407 VanDerWaalsContact OG1-O 3.11Å; D403-C407 PolarHBondContact O-N 2.98Å; D403-C407 PolarHBondContact O-SG 2.84Å; G404-C407 PolarHBondContact O-N 3.42Å; C407-F411 VanDerWaalsContact O-CB 3.31Å; C407-F411 WeakPolarHBondContact O-CB 3.44Å; C407-F411 PolarHBondContact O-N 2.7Å
408L92.3Very high90.5Very high8 Ų841.2 Ų41.24%0.04221%0.214CC..Hα-helixtrans-71.7-42.3178.5-73.3163.1000111.9V329 A332 L337 T345 G404 H405 G406 M410 F411 L412 H430V329-L408 HydrophobicContact CG1-CD1 4.44Å; V329-L408 HydrophobicContact CG1-CD2 4.26Å; V329-L408 HydrophobicContact CG1-CG 4.31Å; A332-L408 HydrophobicContact CB-CD1 3.88Å; L337-L408 HydrophobicContact CD1-CD2 4.26Å; T345-L408 HydrophobicContact CG2-CD2 3.68Å; G404-L408 WeakPolarHBondContact O-CB 3.26Å; G404-L408 WeakPolarHBondContact O-CG 3.46Å; G404-L408 PolarHBondContact O-N 2.76Å; H405-L408 PolarHBondContact O-N 3.11Å; G406-L408 VanDerWaalsContact C-N 3.33Å; G406-L408 PolarHBondContact O-N 2.68Å; L408-M410 PolarHBondContact O-N 3.16Å; L408-F411 PolarHBondContact O-N 3.27Å; L408-L412 WeakPolarHBondContact O-CB 2.94Å; L408-L412 VanDerWaalsContact O-CG 3.28Å; L408-L412 WeakPolarHBondContact O-CG 3.48Å; L408-L412 PolarHBondContact O-N 2.66Å; L408-H430 HydrophobicContact CB-CB 4.33Å; L408-H430 VanDerWaalsContact CD1-CE1 3.43Å; L408-H430 WeakPolarHBondContact CD1-CE1 3.3Å
409A92.1Very high90.3Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-61.6-41.8174.100000111.7H405 G406 L412 S413 F427 H430 L431 M434H405-A409 VanDerWaalsContact O-CB 3.24Å; H405-A409 WeakPolarHBondContact O-CB 3.47Å; H405-A409 PolarHBondContact O-N 2.85Å; G406-A409 PolarHBondContact O-N 3.04Å; A409-L412 PolarHBondContact O-N 2.81Å; A409-S413 WeakPolarHBondContact O-CB 3.34Å; A409-S413 PolarHBondContact O-N 2.74Å; A409-S413 PolarHBondContact O-OG 3.04Å; A409-F427 VanDerWaalsContact O-CE2 3.23Å; A409-F427 WeakPolarHBondContact O-CE2 3.32Å; A409-H430 HydrophobicContact CB-CB 3.95Å; A409-L431 HydrophobicContact CB-CD2 3.94Å; A409-L431 HydrophobicContact CB-CG 4.06Å; A409-M434 HydrophobicContact CB-SD 3.9Å
410M92.2Very high90.1Very high76 Ų7643.8 Ų43.837%0.37423%0.232SC..Hα-helixtrans-71.1-40.3178.1-170.756.9-167.700112.2T348 G406 L408 L412 S413 L414 W447T348-M410 HydrophobicContact CG2-CB 4.44Å; T348-M410 HydrophobicContact CG2-CG 4.26Å; G406-M410 WeakPolarHBondContact O-CB 3.35Å; G406-M410 PolarHBondContact O-N 2.77Å; L408-M410 PolarHBondContact O-N 3.16Å; M410-L412 VanDerWaalsContact C-N 3.28Å; M410-L412 PolarHBondContact O-N 3.09Å; M410-S413 WeakPolarHBondContact O-CB 3.29Å; M410-S413 PolarHBondContact O-N 3.08Å; M410-L414 HydrophobicContact CE-CD2 4.09Å; M410-L414 HydrophobicContact CE-CG 4.28Å; M410-L414 WeakPolarHBondContact O-CG 3.3Å; M410-L414 PolarHBondContact O-N 2.89Å; M410-W447 HydrophobicContact SD-CZ2 4.5Å
411F92.3Very high89.8Confident25 Ų2542.1 Ų42.111%0.1123%0.229CC..Hα-helixtrans-60.6-37.1172.8170.5-106000112.8R344 T345 T348 C407 L408R344-F411 HydrophobicContact CB-CD2 3.94Å; R344-F411 HydrophobicContact CB-CE2 3.61Å; T345-F411 HydrophobicContact CG2-CB 3.7Å; T345-F411 HydrophobicContact CG2-CD1 3.59Å; T345-F411 HydrophobicContact CG2-CD2 4.21Å; T345-F411 HydrophobicContact CG2-CE1 4.28Å; T345-F411 HydrophobicContact CG2-CG 3.54Å; T348-F411 HydrophobicContact CG2-CB 4.16Å; C407-F411 VanDerWaalsContact O-CB 3.31Å; C407-F411 WeakPolarHBondContact O-CB 3.44Å; C407-F411 PolarHBondContact O-N 2.7Å; L408-F411 PolarHBondContact O-N 3.27Å
412L92Very high89.4Confident5 Ų545 Ų453%0.02625%0.247CC..Hα-helixtrans-75.3-34.1174.7-68.4167.9000112L408 A409 M410 L414 R415 A416 L419 E423 E426 F427L408-L412 WeakPolarHBondContact O-CB 2.94Å; L408-L412 VanDerWaalsContact O-CG 3.28Å; L408-L412 WeakPolarHBondContact O-CG 3.48Å; L408-L412 PolarHBondContact O-N 2.66Å; A409-L412 PolarHBondContact O-N 2.81Å; M410-L412 VanDerWaalsContact C-N 3.28Å; M410-L412 PolarHBondContact O-N 3.09Å; L412-L414 VanDerWaalsContact C-N 3.33Å; L412-L414 PolarHBondContact O-N 3.19Å; L412-R415 CarbonylContact O-C 3.58Å; L412-R415 WeakPolarHBondContact O-CA 3.26Å; L412-R415 PolarHBondContact O-N 2.91Å; L412-A416 WeakPolarHBondContact O-CA 3.4Å; L412-A416 PolarHBondContact O-N 3.12Å; L412-L419 HydrophobicContact CB-CD1 4.31Å; L412-L419 HydrophobicContact CD2-CD1 4.43Å; L412-L419 HydrophobicContact CD2-CD2 3.83Å; L412-E423 HydrophobicContact CD2-CB 4.28Å; L412-E426 HydrophobicContact CD1-CB 4.13Å; L412-F427 HydrophobicContact CB-CB 3.88Å; L412-F427 HydrophobicContact CB-CD2 3.76Å; L412-F427 HydrophobicContact CB-CE2 4.49Å; L412-F427 HydrophobicContact CB-CG 3.82Å; L412-F427 HydrophobicContact CD1-CB 3.95Å; L412-F427 HydrophobicContact CG-CB 4.46Å
413S91.4Very high89.2Confident8 Ų844.5 Ų44.56%0.05624%0.244CC..Hα-helixtrans-56.1-45.5172.3-62.30000111.7A409 M410 R415 A416 F427 W447A409-S413 WeakPolarHBondContact O-CB 3.34Å; A409-S413 PolarHBondContact O-N 2.74Å; A409-S413 PolarHBondContact O-OG 3.04Å; M410-S413 WeakPolarHBondContact O-CB 3.29Å; M410-S413 PolarHBondContact O-N 3.08Å; S413-R415 PolarHBondContact O-N 2.95Å; S413-A416 WeakPolarHBondContact O-CB 3.49Å; S413-A416 PolarHBondContact O-N 3.32Å; S413-F427 WeakPolarHBondContact OG-CE2 3.34Å; S413-F427 VanDerWaalsContact OG-CZ 3.24Å; S413-F427 WeakPolarHBondContact OG-CZ 3.24Å; S413-W447 PolarHBondContact OG-NE1 3.49Å
414L89.9Confident89.2Confident103 Ų10342.4 Ų42.454%0.53923%0.233SC..THydrogen-bonded Turntrans-61.5-11.1176.1-68173.4000114.2W347 T348 M410 L412W347-L414 HydrophobicContact CZ3-CD1 4.2Å; T348-L414 HydrophobicContact CG2-CD1 4.02Å; M410-L414 HydrophobicContact CE-CD2 4.09Å; M410-L414 HydrophobicContact CE-CG 4.28Å; M410-L414 WeakPolarHBondContact O-CG 3.3Å; M410-L414 PolarHBondContact O-N 2.89Å; L412-L414 VanDerWaalsContact C-N 3.33Å; L412-L414 PolarHBondContact O-N 3.19Å
415R89.4Confident88.9Confident75 Ų7543.4 Ų43.428%0.28324%0.238SC..THydrogen-bonded Turntrans-1267-179.6-70.4178.156.9-130.1-8.7113.3L412 S413 S417 T418 L419 E423L412-R415 CarbonylContact O-C 3.58Å; L412-R415 WeakPolarHBondContact O-CA 3.26Å; L412-R415 PolarHBondContact O-N 2.91Å; S413-R415 PolarHBondContact O-N 2.95Å; R415-S417 VanDerWaalsContact C-N 3.29Å; R415-S417 PolarHBondContact O-N 2.88Å; R415-S417 VanDerWaalsContact O-N 3.1Å; R415-T418 CarbonylContact O-C 3.49Å; R415-T418 WeakPolarHBondContact O-CA 3.47Å; R415-T418 PolarHBondContact O-N 2.84Å; R415-T418 PolarHBondContact O-OG1 3.45Å; R415-L419 HydrophobicContact CB-CD2 3.67Å; R415-L419 WeakPolarHBondContact O-CD2 3.39Å; R415-L419 WeakPolarHBondContact O-CG 3.41Å; R415-L419 PolarHBondContact O-N 3.1Å; R415-E423 IonicContact CZ-OE1 3.13Å; R415-E423 IonicContact NH1-OE1 2.77Å; R415-E423 PolarHBondContact NH1-OE1 3.23Å; R415-E423 IonicContact NH2-OE1 2.73Å; R415-E423 PolarHBondContact NH2-OE1 3.25Å; R415-E423 IonicContact NH2-OE2 3.41Å
416A86.5Confident88.7Confident6 Ų644.8 Ų44.85%0.0525%0.245CC..G310 helixtrans-52-39.3-164.900000114.9L412 S413 T418 F427 C451 A453L412-A416 WeakPolarHBondContact O-CA 3.4Å; L412-A416 PolarHBondContact O-N 3.12Å; S413-A416 WeakPolarHBondContact O-CB 3.49Å; S413-A416 PolarHBondContact O-N 3.32Å; A416-T418 PolarHBondContact O-N 2.86Å; A416-F427 HydrophobicContact CB-CD1 4.48Å; A416-F427 HydrophobicContact CB-CE1 3.89Å; A416-C451 HydrophobicContact CB-CB 3.53Å; A416-C451 WeakPolarHBondContact CB-O 3.43Å; A416-A453 HydrophobicContact CB-CB 4.13Å
417S85.9Confident88.6Confident96 Ų9644 Ų4467%0.67124%0.236SC*.G310 helixtrans-71.1-8176.2580000115.4R415R415-S417 VanDerWaalsContact C-N 3.29Å; R415-S417 PolarHBondContact O-N 2.88Å; R415-S417 VanDerWaalsContact O-N 3.1Å
418T88.7Confident88.5Confident95 Ų9543.5 Ų43.558%0.58323%0.232SC*.G310 helixtrans-125.15.6-175.265.80000113.9R415 A416R415-T418 CarbonylContact O-C 3.49Å; R415-T418 WeakPolarHBondContact O-CA 3.47Å; R415-T418 PolarHBondContact O-N 2.84Å; R415-T418 PolarHBondContact O-OG1 3.45Å; A416-T418 PolarHBondContact O-N 2.86Å
419L87.6Confident88.3Confident27 Ų2743.8 Ų43.814%0.14123%0.233CC..  trans-68.2137.3-177.2-59.1-176.5000111.4L412 R415 E423 L424 F427L412-L419 HydrophobicContact CB-CD1 4.31Å; L412-L419 HydrophobicContact CD2-CD1 4.43Å; L412-L419 HydrophobicContact CD2-CD2 3.83Å; R415-L419 HydrophobicContact CB-CD2 3.67Å; R415-L419 WeakPolarHBondContact O-CD2 3.39Å; R415-L419 WeakPolarHBondContact O-CG 3.41Å; R415-L419 PolarHBondContact O-N 3.1Å; L419-E423 HydrophobicContact CB-CB 3.89Å; L419-E423 HydrophobicContact CD2-CB 4.06Å; L419-E423 HydrophobicContact CG-CB 4.36Å; L419-L424 HydrophobicContact CB-CB 4.4Å; L419-F427 HydrophobicContact CD1-CB 3.85Å; L419-F427 HydrophobicContact CD1-CD1 3.74Å; L419-F427 HydrophobicContact CD1-CG 4.1Å
420S86.3Confident88.2Confident58 Ų5844 Ų4441%0.40623%0.234SC..  trans-64.4161.4164.362.20000111N422 E423 L424S420-N422 PolarHBondContact O-N 2.66Å; S420-N422 VanDerWaalsContact O-N 3.09Å; S420-E423 WeakPolarHBondContact CB-OE2 3.19Å; S420-E423 PolarHBondContact N-OE2 2.94Å; S420-E423 PolarHBondContact O-N 3.19Å; S420-E423 WeakPolarHBondContact OG-CG 3.41Å; S420-E423 PolarHBondContact OG-N 3.22Å; S420-E423 PolarHBondContact OG-OE2 3.5Å; S420-L424 PolarHBondContact O-N 2.94Å
421K82.9Confident88.1Confident121 Ų12140.3 Ų40.353%0.52622%0.216SC..Hα-helixtrans-51-38.7179.4-69.2-168.2177.3-164.10113I425 K457 L458K421-I425 WeakPolarHBondContact O-CD1 3.14Å; K421-I425 WeakPolarHBondContact O-CG1 3.24Å; K421-I425 PolarHBondContact O-N 2.83Å; K421-K457 VanDerWaalsContact CE-O 3.3Å; K421-K457 WeakPolarHBondContact CE-O 3.32Å; K421-K457 PolarHBondContact NZ-O 2.88Å; K421-L458 HydrophobicContact CB-CD1 3.81Å; K421-L458 HydrophobicContact CD-CD1 4.09Å; K421-L458 HydrophobicContact CG-CD1 4Å
422N80.2Confident87.8Confident115 Ų11539.1 Ų39.162%0.61521%0.211SC*.Hα-helixtrans-74.9-40.2179.6-62.97.9000111.8S420 L424 I425 E426S420-N422 PolarHBondContact O-N 2.66Å; S420-N422 VanDerWaalsContact O-N 3.09Å; N422-L424 VanDerWaalsContact C-N 3.3Å; N422-L424 PolarHBondContact O-N 2.85Å; N422-I425 PolarHBondContact O-N 3Å; N422-E426 PolarHBondContact O-N 3.48Å
423E87Confident87.6Confident28 Ų2841.5 Ų41.513%0.13122%0.221CC..Hα-helixtrans-66.6-30.6174.7-71.9168.8117.800112.6L412 R415 L419 S420 E426 F427L412-E423 HydrophobicContact CD2-CB 4.28Å; R415-E423 IonicContact CZ-OE1 3.13Å; R415-E423 IonicContact NH1-OE1 2.77Å; R415-E423 PolarHBondContact NH1-OE1 3.23Å; R415-E423 IonicContact NH2-OE1 2.73Å; R415-E423 PolarHBondContact NH2-OE1 3.25Å; R415-E423 IonicContact NH2-OE2 3.41Å; L419-E423 HydrophobicContact CB-CB 3.89Å; L419-E423 HydrophobicContact CD2-CB 4.06Å; L419-E423 HydrophobicContact CG-CB 4.36Å; S420-E423 WeakPolarHBondContact CB-OE2 3.19Å; S420-E423 PolarHBondContact N-OE2 2.94Å; S420-E423 PolarHBondContact O-N 3.19Å; S420-E423 WeakPolarHBondContact OG-CG 3.41Å; S420-E423 PolarHBondContact OG-N 3.22Å; S420-E423 PolarHBondContact OG-OE2 3.5Å; E423-E426 PolarHBondContact O-N 3.23Å; E423-F427 WeakPolarHBondContact O-CB 3.4Å; E423-F427 PolarHBondContact O-N 3.45Å
424L88.7Confident87.2Confident11 Ų1141.8 Ų41.86%0.05822%0.222CC..Hα-helixtrans-66.7-39.5172.8178.560.6000111.8L419 S420 N422 F427 A428 M448 A453 K454 A455 L458 L473 L476L419-L424 HydrophobicContact CB-CB 4.4Å; S420-L424 PolarHBondContact O-N 2.94Å; N422-L424 VanDerWaalsContact C-N 3.3Å; N422-L424 PolarHBondContact O-N 2.85Å; L424-F427 PolarHBondContact O-N 3.38Å; L424-A428 PolarHBondContact O-N 3.35Å; L424-M448 HydrophobicContact CD1-CE 3.72Å; L424-A453 HydrophobicContact CD1-CB 3.77Å; L424-K454 WeakPolarHBondContact CD2-O 3.45Å; L424-A455 HydrophobicContact CD2-CB 4.23Å; L424-L458 HydrophobicContact CD2-CD2 4Å; L424-L458 HydrophobicContact CG-CD2 4.39Å; L424-L473 HydrophobicContact CG-CD2 4.26Å; L424-L476 HydrophobicContact CD1-CD2 4.11Å
425I86.1Confident86.5Confident21 Ų2138.9 Ų38.911%0.10821%0.208CC..Hα-helixtrans-67.3-40.7173.7-66.6159.5000110.6K421 N422 F427 A428 Y429 L458 V464 L473K421-I425 WeakPolarHBondContact O-CD1 3.14Å; K421-I425 WeakPolarHBondContact O-CG1 3.24Å; K421-I425 PolarHBondContact O-N 2.83Å; N422-I425 PolarHBondContact O-N 3Å; I425-F427 VanDerWaalsContact C-N 3.34Å; I425-A428 PolarHBondContact O-N 3.44Å; I425-Y429 WeakPolarHBondContact O-CB 3.41Å; I425-Y429 PolarHBondContact O-N 3.41Å; I425-L458 HydrophobicContact CD1-CD1 4.09Å; I425-L458 HydrophobicContact CD1-CD2 4.44Å; I425-L458 HydrophobicContact CG1-CD1 4.41Å; I425-L458 HydrophobicContact CG1-CD2 3.93Å; I425-V464 HydrophobicContact CD1-CG1 4.26Å; I425-V464 HydrophobicContact CD1-CG2 4.26Å; I425-V464 HydrophobicContact CG2-CB 3.89Å; I425-V464 HydrophobicContact CG2-CG1 3.91Å; I425-V464 HydrophobicContact CG2-CG2 4.39Å; I425-L473 HydrophobicContact CB-CD1 4.34Å; I425-L473 HydrophobicContact CG1-CD1 3.89Å; I425-L473 HydrophobicContact CG2-CD1 4.3Å
426E86.2Confident85.6Confident35 Ų3539.9 Ų39.916%0.16423%0.226CC..Hα-helixtrans-61.7-40.2171.5-73.6176.4-166.100111.9R335 L412 N422 E423 Y429 H430R335-E426 IonicContact CZ-OE1 2.72Å; R335-E426 VanDerWaalsContact CZ-OE1 3.25Å; R335-E426 IonicContact CZ-OE2 3.8Å; R335-E426 VanDerWaalsContact CZ-OE2 3.26Å; R335-E426 VanDerWaalsContact NE-CD 3.35Å; R335-E426 IonicContact NE-OE1 3.3Å; R335-E426 PolarHBondContact NE-OE1 3.09Å; R335-E426 IonicContact NE-OE2 3.83Å; R335-E426 PolarHBondContact NE-OE2 3Å; R335-E426 VanDerWaalsContact NE-OE2 3.08Å; R335-E426 IonicContact NH2-OE1 2.98Å; R335-E426 PolarHBondContact NH2-OE1 3.29Å; R335-E426 IonicContact NH2-OE2 3.89Å; R335-E426 PolarHBondContact NH2-OE2 3.15Å; L412-E426 HydrophobicContact CD1-CB 4.13Å; N422-E426 PolarHBondContact O-N 3.48Å; E423-E426 PolarHBondContact O-N 3.23Å; E426-Y429 WeakPolarHBondContact O-CB 3.3Å; E426-Y429 PolarHBondContact O-N 3.15Å; E426-Y429 VanDerWaalsContact O-N 3.15Å; E426-H430 PolarHBondContact O-CD2 3.02Å; E426-H430 PolarHBondContact O-N 3.28Å
427F91.1Very high84.8Confident0 Ų044.8 Ų44.80%025%0.252CS..Hα-helixtrans-62.8-46.8178.8-177.1-155.3000111.4A409 L412 S413 A416 L419 E423 L424 I425 Y429 H430 L431 M448 A453A409-F427 VanDerWaalsContact O-CE2 3.23Å; A409-F427 WeakPolarHBondContact O-CE2 3.32Å; L412-F427 HydrophobicContact CB-CB 3.88Å; L412-F427 HydrophobicContact CB-CD2 3.76Å; L412-F427 HydrophobicContact CB-CE2 4.49Å; L412-F427 HydrophobicContact CB-CG 3.82Å; L412-F427 HydrophobicContact CD1-CB 3.95Å; L412-F427 HydrophobicContact CG-CB 4.46Å; S413-F427 WeakPolarHBondContact OG-CE2 3.34Å; S413-F427 VanDerWaalsContact OG-CZ 3.24Å; S413-F427 WeakPolarHBondContact OG-CZ 3.24Å; A416-F427 HydrophobicContact CB-CD1 4.48Å; A416-F427 HydrophobicContact CB-CE1 3.89Å; L419-F427 HydrophobicContact CD1-CB 3.85Å; L419-F427 HydrophobicContact CD1-CD1 3.74Å; L419-F427 HydrophobicContact CD1-CG 4.1Å; E423-F427 WeakPolarHBondContact O-CB 3.4Å; E423-F427 PolarHBondContact O-N 3.45Å; L424-F427 PolarHBondContact O-N 3.38Å; I425-F427 VanDerWaalsContact C-N 3.34Å; F427-Y429 VanDerWaalsContact C-N 3.31Å; F427-Y429 PolarHBondContact O-N 2.87Å; F427-H430 PolarHBondContact O-N 3.47Å; F427-L431 HydrophobicContact CD2-CD1 3.88Å; F427-L431 HydrophobicContact CD2-CG 4.14Å; F427-L431 HydrophobicContact CE2-CD1 3.41Å; F427-L431 VanDerWaalsContact CE2-CD1 3.41Å; F427-L431 HydrophobicContact CE2-CD2 4.48Å; F427-L431 HydrophobicContact CE2-CG 3.86Å; F427-L431 HydrophobicContact CZ-CD1 3.82Å; F427-L431 PolarHBondContact O-N 2.96Å; F427-M448 HydrophobicContact CB-CE 4.09Å; F427-M448 HydrophobicContact CD1-CE 3.44Å; F427-M448 VanDerWaalsContact CD1-CE 3.44Å; F427-M448 HydrophobicContact CD1-CG 4.36Å; F427-M448 HydrophobicContact CE1-CB 4.3Å; F427-M448 HydrophobicContact CE1-CE 3.96Å; F427-M448 HydrophobicContact CE1-CG 3.94Å; F427-M448 HydrophobicContact CG-CE 3.83Å; F427-M448 HydrophobicContact CZ-CG 4.1Å; F427-A453 HydrophobicContact CD1-CB 4.34Å; F427-A453 HydrophobicContact CE1-CB 4.15Å
428A89.3Confident84.3Confident0 Ų043.4 Ų43.40%025%0.252CS..Hα-helixtrans-62.1-37.4172.200000112.4L424 I425 L431 S432 M448 T469 L472 L473L424-A428 PolarHBondContact O-N 3.35Å; I425-A428 PolarHBondContact O-N 3.44Å; A428-L431 PolarHBondContact O-N 3.15Å; A428-S432 WeakPolarHBondContact O-CB 3.26Å; A428-S432 PolarHBondContact O-N 3.28Å; A428-S432 PolarHBondContact O-OG 3.44Å; A428-M448 HydrophobicContact CB-CE 3.88Å; A428-M448 HydrophobicContact CB-SD 3.97Å; A428-T469 HydrophobicContact CB-CG2 3.96Å; A428-L472 HydrophobicContact CB-CB 4.46Å; A428-L472 HydrophobicContact CB-CD2 4.06Å; A428-L472 HydrophobicContact CB-CG 4.15Å; A428-L472 WeakPolarHBondContact O-CD2 3.28Å; A428-L473 HydrophobicContact CB-CD1 4.17Å; A428-L473 HydrophobicContact CB-CD2 3.49Å; A428-L473 VanDerWaalsContact CB-CD2 3.49Å; A428-L473 HydrophobicContact CB-CG 3.54Å
429Y88.3Confident83.8Confident15 Ų1541.4 Ų41.46%0.05924%0.238CC..Hα-helixtrans-67-40.1177.5175.6-97.4000112.8R334 H405 I425 E426 F427 S432 K433 C465 D466R334-Y429 HydrophobicContact CG-CD1 4.35Å; R334-Y429 HydrophobicContact CG-CE1 3.81Å; H405-Y429 AromaticContact CE1-CE1 3.56Å; I425-Y429 WeakPolarHBondContact O-CB 3.41Å; I425-Y429 PolarHBondContact O-N 3.41Å; E426-Y429 WeakPolarHBondContact O-CB 3.3Å; E426-Y429 PolarHBondContact O-N 3.15Å; E426-Y429 VanDerWaalsContact O-N 3.15Å; F427-Y429 VanDerWaalsContact C-N 3.31Å; F427-Y429 PolarHBondContact O-N 2.87Å; Y429-S432 PolarHBondContact O-OG 3.03Å; Y429-K433 HydrophobicContact CE2-CG 4.37Å; Y429-K433 PolarHBondContact O-N 3.19Å; Y429-C465 HydrophobicContact CD2-CB 3.64Å; Y429-C465 HydrophobicContact CE2-CB 4.22Å; Y429-D466 WeakPolarHBondContact CE2-OD2 3.31Å
430H89.8Confident83.4Confident3 Ų344 Ų441%0.01425%0.252CS..Hα-helixtrans-71.3-35.7177.6-69.6-63.9000111.6A332 H405 L408 A409 E426 F427 M434A332-H430 PolarHBondContact O-CE1 2.96Å; H405-H430 AromaticContact CE1-ND1 3.87Å; H405-H430 AromaticContact CG-ND1 3.86Å; H405-H430 AromaticContact ND1-ND1 3.11Å; H405-H430 PolarHBondContact ND1-ND1 3.12Å; H405-H430 VanDerWaalsContact ND1-ND1 3.11Å; L408-H430 HydrophobicContact CB-CB 4.33Å; L408-H430 VanDerWaalsContact CD1-CE1 3.43Å; L408-H430 WeakPolarHBondContact CD1-CE1 3.3Å; A409-H430 HydrophobicContact CB-CB 3.95Å; E426-H430 PolarHBondContact O-CD2 3.02Å; E426-H430 PolarHBondContact O-N 3.28Å; F427-H430 PolarHBondContact O-N 3.47Å; H430-M434 WeakPolarHBondContact O-CG 3.43Å
431L89.5Confident83.1Confident0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-70-38.5172.4-76.9174.5000113.7A409 F427 A428 K433 M434 L444 W447 M448 L472A409-L431 HydrophobicContact CB-CD2 3.94Å; A409-L431 HydrophobicContact CB-CG 4.06Å; F427-L431 HydrophobicContact CD2-CD1 3.88Å; F427-L431 HydrophobicContact CD2-CG 4.14Å; F427-L431 HydrophobicContact CE2-CD1 3.41Å; F427-L431 VanDerWaalsContact CE2-CD1 3.41Å; F427-L431 HydrophobicContact CE2-CD2 4.48Å; F427-L431 HydrophobicContact CE2-CG 3.86Å; F427-L431 HydrophobicContact CZ-CD1 3.82Å; F427-L431 PolarHBondContact O-N 2.96Å; A428-L431 PolarHBondContact O-N 3.15Å; L431-K433 PolarHBondContact O-N 3.42Å; L431-M434 HydrophobicContact CD2-SD 4.13Å; L431-M434 WeakPolarHBondContact O-CB 3.3Å; L431-M434 PolarHBondContact O-N 3.22Å; L431-L444 HydrophobicContact CB-CD2 4.36Å; L431-L444 HydrophobicContact CD2-CD2 4.2Å; L431-L444 WeakPolarHBondContact O-CD1 3.45Å; L431-W447 HydrophobicContact CD2-CD2 3.82Å; L431-W447 HydrophobicContact CD2-CE3 3.51Å; L431-W447 HydrophobicContact CD2-CH2 4Å; L431-W447 HydrophobicContact CD2-CZ2 4.26Å; L431-W447 HydrophobicContact CD2-CZ3 3.61Å; L431-M448 HydrophobicContact CD1-CG 3.28Å; L431-M448 HydrophobicContact CD1-SD 3.92Å; L431-L472 HydrophobicContact CB-CD2 3.78Å
432S87.8Confident83.1Confident0 Ų042.5 Ų42.50%024%0.24CC..Hα-helixtrans-62.6-31.7179.470.80000111.9A428 Y429 M434 T435 T469A428-S432 WeakPolarHBondContact O-CB 3.26Å; A428-S432 PolarHBondContact O-N 3.28Å; A428-S432 PolarHBondContact O-OG 3.44Å; Y429-S432 PolarHBondContact O-OG 3.03Å; S432-M434 PolarHBondContact O-N 2.6Å; S432-T435 VanDerWaalsContact O-CG2 3.27Å; S432-T435 WeakPolarHBondContact O-CG2 3.29Å; S432-T435 PolarHBondContact O-N 2.91Å; S432-T435 PolarHBondContact O-OG1 3.11Å; S432-T435 VanDerWaalsContact O-OG1 3.07Å; S432-T469 PolarHBondContact OG-OG1 2.87Å
433K86.1Confident83.3Confident54 Ų5441.3 Ų41.324%0.23523%0.231CC..THydrogen-bonded Turntrans-79.54.7173-55-50.1165.4-157.10115.2I402 H405 Y429 L431 D466 E468I402-K433 WeakPolarHBondContact CD1-O 3.41Å; H405-K433 HydrophobicContact CB-CB 4.49Å; Y429-K433 HydrophobicContact CE2-CG 4.37Å; Y429-K433 PolarHBondContact O-N 3.19Å; L431-K433 PolarHBondContact O-N 3.42Å; K433-D466 WeakPolarHBondContact CE-OD2 3.39Å; K433-D466 VanDerWaalsContact NZ-CG 3.34Å; K433-D466 IonicContact NZ-OD1 3.69Å; K433-D466 IonicContact NZ-OD2 3.97Å; K433-D466 PolarHBondContact NZ-OD2 2.91Å; K433-E468 IonicContact NZ-OE2 3.93Å; K433-E468 PolarHBondContact NZ-OE2 3.45Å
434M83.5Confident83.3Confident15 Ų1540 Ų407%0.07423%0.225CC..THydrogen-bonded Turntrans-99.41.5170.9-62.717672.300113.4I402 H405 A409 H430 L431 S432 S436 L437 W447I402-M434 HydrophobicContact CG1-CG 4.5Å; H405-M434 HydrophobicContact CB-CG 4.48Å; A409-M434 HydrophobicContact CB-SD 3.9Å; H430-M434 WeakPolarHBondContact O-CG 3.43Å; L431-M434 HydrophobicContact CD2-SD 4.13Å; L431-M434 WeakPolarHBondContact O-CB 3.3Å; L431-M434 PolarHBondContact O-N 3.22Å; S432-M434 PolarHBondContact O-N 2.6Å; M434-S436 PolarHBondContact O-N 3.25Å; M434-L437 HydrophobicContact CB-CD1 4.25Å; M434-L437 HydrophobicContact CE-CD1 3.81Å; M434-L437 WeakPolarHBondContact O-CB 3.42Å; M434-L437 PolarHBondContact O-N 2.75Å; M434-W447 HydrophobicContact CE-CH2 4.03Å; M434-W447 HydrophobicContact CE-CZ3 4.16Å
435T75.3Confident83.1Confident41 Ų4139.6 Ų39.625%0.25222%0.223SC..G310 helixtrans-55.3-32.9177.348.10000113.3S432 L437 G438 L444 E468S432-T435 VanDerWaalsContact O-CG2 3.27Å; S432-T435 WeakPolarHBondContact O-CG2 3.29Å; S432-T435 PolarHBondContact O-N 2.91Å; S432-T435 PolarHBondContact O-OG1 3.11Å; S432-T435 VanDerWaalsContact O-OG1 3.07Å; T435-L437 PolarHBondContact O-N 2.96Å; T435-G438 PolarHBondContact O-N 2.7Å; T435-L444 HydrophobicContact CG2-CD1 3.73Å; T435-E468 PolarHBondContact OG1-OE1 3.05Å
436S70.2Confident83.1Confident96 Ų9642.6 Ų42.667%0.67124%0.237SC*.G310 helixtrans-70-5.9177.155.20000114.9I402 M434 G438I402-S436 WeakPolarHBondContact CD1-OG 3.33Å; M434-S436 PolarHBondContact O-N 3.25Å; S436-G438 PolarHBondContact O-N 3.28Å
437L70.7Confident83.2Confident110 Ų11044.3 Ų44.358%0.57624%0.242SC*.G310 helixtrans-814.7165.4-60.8174.1000112.9I402 M434 T435I402-L437 HydrophobicContact CD1-CD1 4.29Å; I402-L437 HydrophobicContact CD1-CD2 4.06Å; I402-L437 HydrophobicContact CD1-CG 3.79Å; M434-L437 HydrophobicContact CB-CD1 4.25Å; M434-L437 HydrophobicContact CE-CD1 3.81Å; M434-L437 WeakPolarHBondContact O-CB 3.42Å; M434-L437 PolarHBondContact O-N 2.75Å; T435-L437 PolarHBondContact O-N 2.96Å
438G73.9Confident83.2Confident66 Ų6644.3 Ų44.368%0.6824%0.242SC*.THydrogen-bonded Turntrans875.8179.500000114.7T435 S436T435-G438 PolarHBondContact O-N 2.7Å; S436-G438 PolarHBondContact O-N 3.28Å
439L78.3Confident83.1Confident54 Ų5448.3 Ų48.328%0.28326%0.262SS..  trans-75.9124.6173.7-65.8173.7000110.1L444 W447L439-L444 HydrophobicContact CB-CD2 3.88Å; L439-L444 HydrophobicContact CB-CG 4.29Å; L439-L444 HydrophobicContact CD1-CD2 3.83Å; L439-W447 HydrophobicContact CD1-CE3 4.44Å; L439-W447 HydrophobicContact CD1-CZ3 4.11Å
440N79.4Confident83Confident81 Ų8152.8 Ų52.843%0.43329%0.291SS..  trans-79.8159.917573.652.5000111.7H442 Q443 L444N440-H442 VanDerWaalsContact C-N 3.27Å; N440-H442 PolarHBondContact O-N 2.91Å; N440-H442 WeakPolarHBondContact OD1-CB 3.5Å; N440-H442 PolarHBondContact OD1-N 2.97Å; N440-H442 VanDerWaalsContact OD1-N 3.16Å; N440-Q443 VanDerWaalsContact ND2-CD 3.34Å; N440-Q443 PolarHBondContact ND2-OE1 3.48Å; N440-Q443 WeakPolarHBondContact O-CB 3.46Å; N440-Q443 PolarHBondContact O-N 3.37Å; N440-Q443 WeakPolarHBondContact OD1-CG 3.34Å; N440-Q443 PolarHBondContact OD1-N 3.4Å; N440-L444 PolarHBondContact O-N 3.13Å; N440-L444 VanDerWaalsContact O-N 3.16Å
441M81.1Confident82.9Confident30 Ų3054.7 Ų54.715%0.14830%0.304CS..Hα-helixtrans-53.8-43.2-175.4-168.761.365.700112.6Q443 L444 T445 E468 R471 L472 E475M441-Q443 VanDerWaalsContact C-N 3.34Å; M441-Q443 PolarHBondContact O-N 2.86Å; M441-L444 WeakPolarHBondContact O-CB 3.43Å; M441-L444 PolarHBondContact O-N 2.74Å; M441-L444 VanDerWaalsContact O-N 3.1Å; M441-T445 PolarHBondContact O-N 3.18Å; M441-T445 PolarHBondContact O-OG1 3.2Å; M441-E468 HydrophobicContact CE-CB 4.08Å; M441-R471 HydrophobicContact CE-CB 4.38Å; M441-R471 HydrophobicContact CE-CG 4.41Å; M441-R471 HydrophobicContact CG-CG 4.15Å; M441-R471 HydrophobicContact SD-CG 4.44Å; M441-L472 HydrophobicContact SD-CB 3.7Å; M441-L472 HydrophobicContact SD-CD1 4.17Å; M441-L472 HydrophobicContact SD-CG 4.4Å; M441-E475 WeakPolarHBondContact CG-OE2 3.49Å
442H81.8Confident82.8Confident117 Ų11756 Ų5654%0.54232%0.318SS..Hα-helixtrans-65.1-34.9-179.9-171.767.4000112.8N440 T445 M446N440-H442 VanDerWaalsContact C-N 3.27Å; N440-H442 PolarHBondContact O-N 2.91Å; N440-H442 WeakPolarHBondContact OD1-CB 3.5Å; N440-H442 PolarHBondContact OD1-N 2.97Å; N440-H442 VanDerWaalsContact OD1-N 3.16Å; H442-T445 PolarHBondContact O-N 3.25Å; H442-M446 WeakPolarHBondContact O-CB 3.2Å; H442-M446 VanDerWaalsContact O-CG 3.27Å; H442-M446 WeakPolarHBondContact O-CG 3.42Å; H442-M446 PolarHBondContact O-N 3.22Å
443Q85.2Confident82.7Confident91 Ų9156.2 Ų56.243%0.42532%0.32SS..Hα-helixtrans-65.5-37.6172.6-70.9167-35.700112N440 M441 M446 W447N440-Q443 VanDerWaalsContact ND2-CD 3.34Å; N440-Q443 PolarHBondContact ND2-OE1 3.48Å; N440-Q443 WeakPolarHBondContact O-CB 3.46Å; N440-Q443 PolarHBondContact O-N 3.37Å; N440-Q443 WeakPolarHBondContact OD1-CG 3.34Å; N440-Q443 PolarHBondContact OD1-N 3.4Å; M441-Q443 VanDerWaalsContact C-N 3.34Å; M441-Q443 PolarHBondContact O-N 2.86Å; Q443-M446 PolarHBondContact O-N 3.48Å; Q443-W447 PolarHBondContact O-N 3.08Å
444L87Confident82.4Confident0 Ų061 Ų610%034%0.34CS..Hα-helixtrans-66.8-43.1173.8-58.8174.2000111.1L431 T435 L439 N440 M441 M446 W447 M448 L472L431-L444 HydrophobicContact CB-CD2 4.36Å; L431-L444 HydrophobicContact CD2-CD2 4.2Å; L431-L444 WeakPolarHBondContact O-CD1 3.45Å; T435-L444 HydrophobicContact CG2-CD1 3.73Å; L439-L444 HydrophobicContact CB-CD2 3.88Å; L439-L444 HydrophobicContact CB-CG 4.29Å; L439-L444 HydrophobicContact CD1-CD2 3.83Å; N440-L444 PolarHBondContact O-N 3.13Å; N440-L444 VanDerWaalsContact O-N 3.16Å; M441-L444 WeakPolarHBondContact O-CB 3.43Å; M441-L444 PolarHBondContact O-N 2.74Å; M441-L444 VanDerWaalsContact O-N 3.1Å; L444-M446 VanDerWaalsContact C-N 3.34Å; L444-M446 PolarHBondContact O-N 3.03Å; L444-W447 WeakPolarHBondContact O-CB 3.42Å; L444-W447 PolarHBondContact O-N 2.84Å; L444-M448 PolarHBondContact O-N 3.3Å; L444-L472 HydrophobicContact CB-CD1 3.81Å; L444-L472 HydrophobicContact CB-CD2 4.1Å
445T85.1Confident82.2Confident2 Ų260.2 Ų60.21%0.01234%0.337CS..Hα-helixtrans-61-43.3175-460000111M441 H442 W447 M448 M449 L472 E475 L476M441-T445 PolarHBondContact O-N 3.18Å; M441-T445 PolarHBondContact O-OG1 3.2Å; H442-T445 PolarHBondContact O-N 3.25Å; T445-W447 PolarHBondContact O-N 3.05Å; T445-M448 PolarHBondContact O-N 3.2Å; T445-M449 HydrophobicContact CG2-CE 4.12Å; T445-M449 WeakPolarHBondContact O-CG 3.36Å; T445-M449 PolarHBondContact O-N 3.02Å; T445-L472 VanDerWaalsContact N-CD1 3.34Å; T445-L472 WeakPolarHBondContact OG1-CD1 3.41Å; T445-E475 VanDerWaalsContact CG2-C 3.46Å; T445-E475 HydrophobicContact CG2-CB 3.78Å; T445-E475 WeakPolarHBondContact CG2-O 3.32Å; T445-E475 PolarHBondContact OG1-OE2 3.18Å; T445-L476 HydrophobicContact CG2-CB 4.33Å
446M86Confident82.4Confident85 Ų8563 Ų6342%0.41935%0.35SS..Hα-helixtrans-63.1-36.9174.8-76.6-63.4-59.200113H442 Q443 L444 M449 T450H442-M446 WeakPolarHBondContact O-CB 3.2Å; H442-M446 VanDerWaalsContact O-CG 3.27Å; H442-M446 WeakPolarHBondContact O-CG 3.42Å; H442-M446 PolarHBondContact O-N 3.22Å; Q443-M446 PolarHBondContact O-N 3.48Å; L444-M446 VanDerWaalsContact C-N 3.34Å; L444-M446 PolarHBondContact O-N 3.03Å; M446-M449 HydrophobicContact CG-CE 4.31Å; M446-M449 HydrophobicContact SD-CE 3.49Å; M446-M449 WeakPolarHBondContact SD-CE 3.5Å; M446-T450 WeakPolarHBondContact O-CB 3.3Å; M446-T450 VanDerWaalsContact O-CG2 3.32Å; M446-T450 WeakPolarHBondContact O-CG2 3.3Å; M446-T450 PolarHBondContact O-N 3.43Å; M446-T450 PolarHBondContact O-OG1 3.14Å
447W88.5Confident82.5Confident70 Ų7066.9 Ų66.927%0.26536%0.355SS..Hα-helixtrans-63.3-49.1172.9-174.8-9.6000110.7M410 S413 L431 M434 L439 Q443 L444 T445 M449 T450 C451M410-W447 HydrophobicContact SD-CZ2 4.5Å; S413-W447 PolarHBondContact OG-NE1 3.49Å; L431-W447 HydrophobicContact CD2-CD2 3.82Å; L431-W447 HydrophobicContact CD2-CE3 3.51Å; L431-W447 HydrophobicContact CD2-CH2 4Å; L431-W447 HydrophobicContact CD2-CZ2 4.26Å; L431-W447 HydrophobicContact CD2-CZ3 3.61Å; M434-W447 HydrophobicContact CE-CH2 4.03Å; M434-W447 HydrophobicContact CE-CZ3 4.16Å; L439-W447 HydrophobicContact CD1-CE3 4.44Å; L439-W447 HydrophobicContact CD1-CZ3 4.11Å; Q443-W447 PolarHBondContact O-N 3.08Å; L444-W447 WeakPolarHBondContact O-CB 3.42Å; L444-W447 PolarHBondContact O-N 2.84Å; T445-W447 PolarHBondContact O-N 3.05Å; W447-M449 VanDerWaalsContact C-N 3.32Å; W447-M449 PolarHBondContact O-N 3.05Å; W447-T450 PolarHBondContact O-N 3.03Å; W447-T450 PolarHBondContact O-OG1 3.38Å; W447-C451 VanDerWaalsContact CD1-SG 3.58Å; W447-C451 PolarHBondContact O-N 3.23Å; W447-C451 VanDerWaalsContact O-N 3.08Å
448M89.7Confident82.7Confident0 Ų062 Ų620%033%0.329CS..Hα-helixtrans-58.2-43.8177.2-66.2-169.48000112.2L424 F427 A428 L431 L444 T445 G452 A453 L472 L476L424-M448 HydrophobicContact CD1-CE 3.72Å; F427-M448 HydrophobicContact CB-CE 4.09Å; F427-M448 HydrophobicContact CD1-CE 3.44Å; F427-M448 VanDerWaalsContact CD1-CE 3.44Å; F427-M448 HydrophobicContact CD1-CG 4.36Å; F427-M448 HydrophobicContact CE1-CB 4.3Å; F427-M448 HydrophobicContact CE1-CE 3.96Å; F427-M448 HydrophobicContact CE1-CG 3.94Å; F427-M448 HydrophobicContact CG-CE 3.83Å; F427-M448 HydrophobicContact CZ-CG 4.1Å; A428-M448 HydrophobicContact CB-CE 3.88Å; A428-M448 HydrophobicContact CB-SD 3.97Å; L431-M448 HydrophobicContact CD1-CG 3.28Å; L431-M448 HydrophobicContact CD1-SD 3.92Å; L444-M448 PolarHBondContact O-N 3.3Å; T445-M448 PolarHBondContact O-N 3.2Å; M448-G452 PolarHBondContact O-N 3.47Å; M448-A453 HydrophobicContact CB-CB 4.25Å; M448-A453 HydrophobicContact CE-CB 4.48Å; M448-A453 VanDerWaalsContact O-CB 3.3Å; M448-A453 WeakPolarHBondContact O-CB 3.29Å; M448-A453 PolarHBondContact O-N 3.18Å; M448-L472 HydrophobicContact SD-CD1 3.94Å; M448-L472 HydrophobicContact SD-CD2 3.8Å; M448-L472 HydrophobicContact SD-CG 3.63Å; M448-L476 HydrophobicContact CB-CD1 3.91Å; M448-L476 HydrophobicContact CB-CD2 3.8Å; M448-L476 HydrophobicContact CB-CG 4.49Å; M448-L476 HydrophobicContact CE-CD2 3.53Å; M448-L476 HydrophobicContact CG-CD2 4.39Å; M448-L476 HydrophobicContact SD-CD2 3.76Å
449M87.1Confident82.6Confident85 Ų8563.7 Ų63.742%0.41932%0.322SS..Hα-helixtrans-65.6-42.4177.4-72.3-169-68.800113.2T445 M446 W447 C451 G452 L476T445-M449 HydrophobicContact CG2-CE 4.12Å; T445-M449 WeakPolarHBondContact O-CG 3.36Å; T445-M449 PolarHBondContact O-N 3.02Å; M446-M449 HydrophobicContact CG-CE 4.31Å; M446-M449 HydrophobicContact SD-CE 3.49Å; M446-M449 WeakPolarHBondContact SD-CE 3.5Å; W447-M449 VanDerWaalsContact C-N 3.32Å; W447-M449 PolarHBondContact O-N 3.05Å; M449-C451 VanDerWaalsContact C-N 3.34Å; M449-C451 PolarHBondContact O-N 3.38Å; M449-G452 WeakPolarHBondContact O-CA 3.49Å; M449-G452 PolarHBondContact O-N 3.15Å; M449-L476 HydrophobicContact CB-CD1 4.46Å; M449-L476 HydrophobicContact CG-CD1 3.37Å
450T87.6Confident82.1Confident109 Ų10961.3 Ų61.367%0.66931%0.31SS*.Hα-helixtrans-71.2-27.6-179.153.30000113.2M446 W447 G452M446-T450 WeakPolarHBondContact O-CB 3.3Å; M446-T450 VanDerWaalsContact O-CG2 3.32Å; M446-T450 WeakPolarHBondContact O-CG2 3.3Å; M446-T450 PolarHBondContact O-N 3.43Å; M446-T450 PolarHBondContact O-OG1 3.14Å; W447-T450 PolarHBondContact O-N 3.03Å; W447-T450 PolarHBondContact O-OG1 3.38Å; T450-G452 PolarHBondContact O-N 2.91Å
451C88Confident81Confident43 Ų4359.8 Ų59.829%0.29130%0.303SS..THydrogen-bonded Turntrans-74.9-8.7167-640000113.4A416 W447 M449A416-C451 HydrophobicContact CB-CB 3.53Å; A416-C451 WeakPolarHBondContact CB-O 3.43Å; W447-C451 VanDerWaalsContact CD1-SG 3.58Å; W447-C451 PolarHBondContact O-N 3.23Å; W447-C451 VanDerWaalsContact O-N 3.08Å; M449-C451 VanDerWaalsContact C-N 3.34Å; M449-C451 PolarHBondContact O-N 3.38Å
452G86.5Confident79.6Confident28 Ų2861 Ų6129%0.28931%0.308SS..THydrogen-bonded Turntrans86.719.217700000115.1M448 M449 T450M448-G452 PolarHBondContact O-N 3.47Å; M449-G452 WeakPolarHBondContact O-CA 3.49Å; M449-G452 PolarHBondContact O-N 3.15Å; T450-G452 PolarHBondContact O-N 2.91Å
453A85Confident78.2Confident4 Ų456 Ų563%0.03329%0.287CS..  trans-67.4142.8167.800000110.4A416 L424 F427 M448 L476A416-A453 HydrophobicContact CB-CB 4.13Å; L424-A453 HydrophobicContact CD1-CB 3.77Å; F427-A453 HydrophobicContact CD1-CB 4.34Å; F427-A453 HydrophobicContact CE1-CB 4.15Å; M448-A453 HydrophobicContact CB-CB 4.25Å; M448-A453 HydrophobicContact CE-CB 4.48Å; M448-A453 VanDerWaalsContact O-CB 3.3Å; M448-A453 WeakPolarHBondContact O-CB 3.29Å; M448-A453 PolarHBondContact O-N 3.18Å; A453-L476 HydrophobicContact CB-CD2 4.15Å
454K81.5Confident76.9Confident153 Ų15354.6 Ų54.667%0.66528%0.284SS*.  trans-136.4121-179.7-62.1-169.9178.7-169.30110.8L424L424-K454 WeakPolarHBondContact CD2-O 3.45Å
455A78.7Confident75.6Confident0 Ų055.1 Ų55.10%029%0.288CS..  trans-99.6-0.2-179.300000113.8L424 K457 L458 L476 G477 A478L424-A455 HydrophobicContact CD2-CB 4.23Å; A455-K457 PolarHBondContact O-N 3.47Å; A455-L458 HydrophobicContact CB-CB 4.31Å; A455-L458 HydrophobicContact CB-CD2 4.49Å; A455-L458 WeakPolarHBondContact O-CA 3.48Å; A455-L458 WeakPolarHBondContact O-CB 3.5Å; A455-L458 PolarHBondContact O-N 3.37Å; A455-L476 HydrophobicContact CB-CB 4.03Å; A455-L476 HydrophobicContact CB-CD2 4.14Å; A455-L476 HydrophobicContact CB-CG 3.87Å; A455-L476 WeakPolarHBondContact CB-O 3.23Å; A455-G477 CarbonylContact C-O 3.52Å; A455-A478 HydrophobicContact CB-CB 3.93Å; A455-A478 WeakPolarHBondContact O-CA 3.46Å
456D78.3Confident74.8Confident100 Ų10056 Ų5654%0.53529%0.293SS..THydrogen-bonded Turntrans-53.1-20-177.1-3.1-47.7000115.2G477D456-G477 WeakPolarHBondContact CA-O 3.49Å
457K74.1Confident74Confident176 Ų17654.2 Ų54.277%0.76528%0.283SS*.THydrogen-bonded Turntrans-112.310178-60.4-177.6-178.1178.70113.5K421 A455K421-K457 VanDerWaalsContact CE-O 3.3Å; K421-K457 WeakPolarHBondContact CE-O 3.32Å; K421-K457 PolarHBondContact NZ-O 2.88Å; A455-K457 PolarHBondContact O-N 3.47Å
458L74.3Confident73.4Confident8 Ų854 Ų544%0.04229%0.285CS..  trans-96.895.6-179.9-17064.8000109.2K421 L424 I425 A455 L460 L473 A478 T479K421-L458 HydrophobicContact CB-CD1 3.81Å; K421-L458 HydrophobicContact CD-CD1 4.09Å; K421-L458 HydrophobicContact CG-CD1 4Å; L424-L458 HydrophobicContact CD2-CD2 4Å; L424-L458 HydrophobicContact CG-CD2 4.39Å; I425-L458 HydrophobicContact CD1-CD1 4.09Å; I425-L458 HydrophobicContact CD1-CD2 4.44Å; I425-L458 HydrophobicContact CG1-CD1 4.41Å; I425-L458 HydrophobicContact CG1-CD2 3.93Å; A455-L458 HydrophobicContact CB-CB 4.31Å; A455-L458 HydrophobicContact CB-CD2 4.49Å; A455-L458 WeakPolarHBondContact O-CA 3.48Å; A455-L458 WeakPolarHBondContact O-CB 3.5Å; A455-L458 PolarHBondContact O-N 3.37Å; L458-L460 HydrophobicContact CD2-CD2 3.98Å; L458-L460 HydrophobicContact CG-CD2 3.98Å; L458-L460 HydrophobicContact CG-CG 4.45Å; L458-L460 PolarHBondContact O-N 3.04Å; L458-L473 HydrophobicContact CD2-CD1 4.39Å; L458-L473 HydrophobicContact CD2-CD2 3.83Å; L458-A478 HydrophobicContact CB-CB 4.25Å; L458-A478 HydrophobicContact CD2-CB 4.33Å; L458-A478 HydrophobicContact CG-CB 4.48Å; L458-T479 PolarHBondContact O-N 3.48Å
459L71.8Confident72.9Confident102 Ų10254 Ų5453%0.53429%0.285SS..EExtended strand (participates in β ladder)trans-80.3106.2170.7-172.773.8000108.6T479 A481L459-T479 CarbonylContact C-O 3.54Å; L459-T479 WeakPolarHBondContact CA-O 3.36Å; L459-A481 HydrophobicContact CD1-CB 3.79Å; L459-A481 HydrophobicContact CD2-CB 4.02Å; L459-A481 HydrophobicContact CG-CB 3.82Å
460L66.9Low72.3Confident3 Ų350 Ų502%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-83.7110174.8-62.5176.3000108.6L458 V464 T470 L473 I474 A478 T479 L480 A481L458-L460 HydrophobicContact CD2-CD2 3.98Å; L458-L460 HydrophobicContact CG-CD2 3.98Å; L458-L460 HydrophobicContact CG-CG 4.45Å; L458-L460 PolarHBondContact O-N 3.04Å; L460-V464 HydrophobicContact CD2-CG2 3.69Å; L460-T470 HydrophobicContact CD1-CG2 4.11Å; L460-L473 HydrophobicContact CD1-CB 3.97Å; L460-L473 HydrophobicContact CD2-CD1 4.16Å; L460-I474 HydrophobicContact CD1-CD1 4.5Å; L460-I474 HydrophobicContact CD1-CG1 3.91Å; L460-A478 HydrophobicContact CD1-CB 3.54Å; L460-A478 HydrophobicContact CG-CB 3.86Å; L460-T479 PolarHBondContact N-O 2.87Å; L460-L480 HydrophobicContact CB-CD1 4.1Å; L460-L480 CarbonylContact O-C 3.58Å; L460-L480 WeakPolarHBondContact O-CA 3.37Å; L460-L480 WeakPolarHBondContact O-CD1 3.48Å; L460-A481 PolarHBondContact O-N 2.94Å
461T56.2Low71.9Confident49 Ų4949.6 Ų49.630%0.30125%0.251SS..  trans-76.9-36.6175.446.80000111.8V126 A481V126-T461 HydrophobicContact CG1-CG2 4.08Å; V126-T461 WeakPolarHBondContact CG1-OG1 3.31Å; T461-A481 HydrophobicContact CG2-CB 3.98Å
462H51.7Low71.6Confident55 Ų5547.5 Ų47.526%0.25524%0.237SC..SBendtrans-144.3164.4-174.3-63.6-70.4000110.5A130 V464A130-H462 WeakPolarHBondContact CA-CD2 3.41Å; A130-H462 WeakPolarHBondContact CB-CD2 3.25Å; A130-H462 WeakPolarHBondContact CB-NE2 3.49Å; H462-V464 WeakPolarHBondContact O-CG2 3.27Å; H462-V464 PolarHBondContact O-N 2.8Å
463P53.4Low71.4Confident14 Ų1446.2 Ų46.29%0.09122%0.224CC..  trans-58.9111.1168.925.5-35.9000110.1F181 C465 V493 L495F181-P463 HydrophobicContact CE1-CG 4.31Å; F181-P463 WeakPolarHBondContact CE1-O 3.42Å; F181-P463 HydrophobicContact CE2-CB 4.47Å; F181-P463 HydrophobicContact CZ-CB 3.87Å; F181-P463 HydrophobicContact CZ-CG 3.93Å; F181-P463 WeakPolarHBondContact CZ-O 3.42Å; P463-C465 VanDerWaalsContact C-N 3.26Å; P463-C465 PolarHBondContact O-N 3.21Å; P463-V493 HydrophobicContact CG-CG1 3.49Å; P463-V493 VanDerWaalsContact CG-CG1 3.49Å; P463-L495 HydrophobicContact CB-CD1 4.3Å; P463-L495 HydrophobicContact CB-CD2 3.87Å; P463-L495 HydrophobicContact CB-CG 4.27Å
464V57.4Low71.2Confident61 Ų6146.6 Ų46.637%0.3723%0.225SC..SBendtrans-77.9-15.8-168.1-1540000112.5I425 L460 H462I425-V464 HydrophobicContact CD1-CG1 4.26Å; I425-V464 HydrophobicContact CD1-CG2 4.26Å; I425-V464 HydrophobicContact CG2-CB 3.89Å; I425-V464 HydrophobicContact CG2-CG1 3.91Å; I425-V464 HydrophobicContact CG2-CG2 4.39Å; L460-V464 HydrophobicContact CD2-CG2 3.69Å; H462-V464 WeakPolarHBondContact O-CG2 3.27Å; H462-V464 PolarHBondContact O-N 2.8Å
465C60.9Low71.2Confident11 Ų1142.1 Ų42.17%0.07421%0.207CC..SBendtrans-145.9-64.5-173.6-41.50000111F181 R334 Y429 P463 T469F181-C465 WeakPolarHBondContact CE2-O 3.32Å; F181-C465 VanDerWaalsContact CZ-O 3.23Å; F181-C465 WeakPolarHBondContact CZ-O 3.32Å; R334-C465 PolarHBondContact NH1-SG 3.3Å; Y429-C465 HydrophobicContact CD2-CB 3.64Å; Y429-C465 HydrophobicContact CE2-CB 4.22Å; P463-C465 VanDerWaalsContact C-N 3.26Å; P463-C465 PolarHBondContact O-N 3.21Å; C465-T469 HydrophobicContact CB-CG2 4.13Å
466D67Low71.4Confident21 Ų2142.6 Ų42.611%0.11221%0.209CC..  trans-163.2176.5-176.451.650.7000109.1Y429 K433 E468 T469 T470Y429-D466 WeakPolarHBondContact CE2-OD2 3.31Å; K433-D466 WeakPolarHBondContact CE-OD2 3.39Å; K433-D466 VanDerWaalsContact NZ-CG 3.34Å; K433-D466 IonicContact NZ-OD1 3.69Å; K433-D466 IonicContact NZ-OD2 3.97Å; K433-D466 PolarHBondContact NZ-OD2 2.91Å; D466-E468 PolarHBondContact OD1-N 3.38Å; D466-T469 WeakPolarHBondContact OD1-CB 3.23Å; D466-T469 PolarHBondContact OD1-N 2.85Å; D466-T469 PolarHBondContact OD1-OG1 3.35Å; D466-T469 PolarHBondContact OD2-OG1 3.07Å; D466-T470 WeakPolarHBondContact O-CB 3.44Å; D466-T470 PolarHBondContact O-N 3.25Å; D466-T470 PolarHBondContact O-OG1 3.09Å
467H68.8Low71.5Confident47 Ų4739.6 Ų39.622%0.21820%0.202CC..Hα-helixtrans-61-52.3-179-164.3-61.5000112.7T469 T470 R471 S496H467-T469 PolarHBondContact O-N 3.4Å; H467-T470 PolarHBondContact O-N 3.12Å; H467-T470 VanDerWaalsContact O-N 3.13Å; H467-R471 WeakPolarHBondContact O-CB 3.4Å; H467-R471 PolarHBondContact O-N 3.32Å; H467-S496 PolarHBondContact CE1-O 3.18Å; H467-S496 VanDerWaalsContact CE1-O 3.3Å; H467-S496 WeakPolarHBondContact NE2-CB 3.38Å; H467-S496 PolarHBondContact NE2-N 2.92Å; H467-S496 PolarHBondContact NE2-OG 3.25Å
468E77.4Confident71.8Confident66 Ų6631.4 Ų31.431%0.30817%0.167SC..Hα-helixtrans-58.9-44.4-176.2-59.9176.7118.700112.6K433 T435 M441 D466 R471 L472K433-E468 IonicContact NZ-OE2 3.93Å; K433-E468 PolarHBondContact NZ-OE2 3.45Å; T435-E468 PolarHBondContact OG1-OE1 3.05Å; M441-E468 HydrophobicContact CE-CB 4.08Å; D466-E468 PolarHBondContact OD1-N 3.38Å; E468-R471 WeakPolarHBondContact O-CB 3.42Å; E468-R471 PolarHBondContact O-N 2.86Å; E468-L472 WeakPolarHBondContact O-CB 3.22Å; E468-L472 PolarHBondContact O-N 3.41Å
469T77.9Confident71.7Confident0 Ų034.6 Ų34.60%019%0.187CC..Hα-helixtrans-64.2-43.4177-55.50000111.2A428 S432 C465 D466 H467 R471 L472 L473A428-T469 HydrophobicContact CB-CG2 3.96Å; S432-T469 PolarHBondContact OG-OG1 2.87Å; C465-T469 HydrophobicContact CB-CG2 4.13Å; D466-T469 WeakPolarHBondContact OD1-CB 3.23Å; D466-T469 PolarHBondContact OD1-N 2.85Å; D466-T469 PolarHBondContact OD1-OG1 3.35Å; D466-T469 PolarHBondContact OD2-OG1 3.07Å; H467-T469 PolarHBondContact O-N 3.4Å; T469-R471 VanDerWaalsContact C-N 3.27Å; T469-R471 PolarHBondContact O-N 2.89Å; T469-L472 PolarHBondContact O-N 2.71Å; T469-L473 HydrophobicContact CG2-CD1 4.15Å; T469-L473 WeakPolarHBondContact O-CG 3.39Å; T469-L473 PolarHBondContact O-N 2.88Å
470T74.9Confident71.4Confident1 Ų132.3 Ų32.31%0.00618%0.175CC..Hα-helixtrans-67.2-35.1179.5-48.90000110.5L460 D466 H467 L473 I474 L495 I497L460-T470 HydrophobicContact CD1-CG2 4.11Å; D466-T470 WeakPolarHBondContact O-CB 3.44Å; D466-T470 PolarHBondContact O-N 3.25Å; D466-T470 PolarHBondContact O-OG1 3.09Å; H467-T470 PolarHBondContact O-N 3.12Å; H467-T470 VanDerWaalsContact O-N 3.13Å; T470-L473 PolarHBondContact O-N 2.63Å; T470-I474 HydrophobicContact CG2-CD1 4.24Å; T470-I474 WeakPolarHBondContact O-CG1 3.41Å; T470-I474 PolarHBondContact O-N 3.43Å; T470-L495 HydrophobicContact CG2-CD1 3.61Å; T470-L495 HydrophobicContact CG2-CD2 3.64Å; T470-L495 HydrophobicContact CG2-CG 4.26Å; T470-I497 VanDerWaalsContact C-CD1 3.49Å; T470-I497 HydrophobicContact CG2-CD1 3.78Å
471R78.4Confident71Confident99 Ų9933.6 Ų33.637%0.37419%0.186SC..Hα-helixtrans-63.6-49.6174.1-175.6170.7172.4162.12.1111.9M441 H467 E468 T469 L473 I474 E475 I497M441-R471 HydrophobicContact CE-CB 4.38Å; M441-R471 HydrophobicContact CE-CG 4.41Å; M441-R471 HydrophobicContact CG-CG 4.15Å; M441-R471 HydrophobicContact SD-CG 4.44Å; H467-R471 WeakPolarHBondContact O-CB 3.4Å; H467-R471 PolarHBondContact O-N 3.32Å; E468-R471 WeakPolarHBondContact O-CB 3.42Å; E468-R471 PolarHBondContact O-N 2.86Å; T469-R471 VanDerWaalsContact C-N 3.27Å; T469-R471 PolarHBondContact O-N 2.89Å; R471-L473 VanDerWaalsContact C-N 3.28Å; R471-L473 PolarHBondContact O-N 2.78Å; R471-I474 PolarHBondContact O-N 3.11Å; R471-E475 HydrophobicContact CG-CG 4.42Å; R471-E475 IonicContact CZ-OE1 3.7Å; R471-E475 IonicContact NE-OE1 3.77Å; R471-E475 PolarHBondContact NE-OE1 3.08Å; R471-E475 IonicContact NH2-OE1 2.82Å; R471-E475 PolarHBondContact NH2-OE1 2.96Å; R471-E475 VanDerWaalsContact NH2-OE1 3.13Å; R471-E475 WeakPolarHBondContact O-CG 3.39Å; R471-E475 PolarHBondContact O-N 3.46Å; R471-I497 VanDerWaalsContact CA-CD1 3.46Å; R471-I497 HydrophobicContact CB-CD1 3.89Å; R471-I497 HydrophobicContact CB-CG1 3.84Å; R471-I497 HydrophobicContact CG-CG1 4.2Å; R471-I497 HydrophobicContact CG-CG2 4.22Å; R471-I497 VanDerWaalsContact N-CD1 3.28Å
472L82.9Confident70.7Confident0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-58.1-40.8177.4-17851.4000111.9A428 L431 M441 L444 T445 M448 E468 T469 L476A428-L472 HydrophobicContact CB-CB 4.46Å; A428-L472 HydrophobicContact CB-CD2 4.06Å; A428-L472 HydrophobicContact CB-CG 4.15Å; A428-L472 WeakPolarHBondContact O-CD2 3.28Å; L431-L472 HydrophobicContact CB-CD2 3.78Å; M441-L472 HydrophobicContact SD-CB 3.7Å; M441-L472 HydrophobicContact SD-CD1 4.17Å; M441-L472 HydrophobicContact SD-CG 4.4Å; L444-L472 HydrophobicContact CB-CD1 3.81Å; L444-L472 HydrophobicContact CB-CD2 4.1Å; T445-L472 VanDerWaalsContact N-CD1 3.34Å; T445-L472 WeakPolarHBondContact OG1-CD1 3.41Å; M448-L472 HydrophobicContact SD-CD1 3.94Å; M448-L472 HydrophobicContact SD-CD2 3.8Å; M448-L472 HydrophobicContact SD-CG 3.63Å; E468-L472 WeakPolarHBondContact O-CB 3.22Å; E468-L472 PolarHBondContact O-N 3.41Å; T469-L472 PolarHBondContact O-N 2.71Å; L472-L476 VanDerWaalsContact O-CB 3.29Å; L472-L476 WeakPolarHBondContact O-CB 3.4Å; L472-L476 PolarHBondContact O-N 2.94Å
473L81.5Confident70.2Confident0 Ų035.1 Ų35.10%020%0.201CC..Hα-helixtrans-67.7-40.5176.3-69.5167.5000112.9L424 I425 A428 L458 L460 T469 T470 R471 L476 G477 A478L424-L473 HydrophobicContact CG-CD2 4.26Å; I425-L473 HydrophobicContact CB-CD1 4.34Å; I425-L473 HydrophobicContact CG1-CD1 3.89Å; I425-L473 HydrophobicContact CG2-CD1 4.3Å; A428-L473 HydrophobicContact CB-CD1 4.17Å; A428-L473 HydrophobicContact CB-CD2 3.49Å; A428-L473 VanDerWaalsContact CB-CD2 3.49Å; A428-L473 HydrophobicContact CB-CG 3.54Å; L458-L473 HydrophobicContact CD2-CD1 4.39Å; L458-L473 HydrophobicContact CD2-CD2 3.83Å; L460-L473 HydrophobicContact CD1-CB 3.97Å; L460-L473 HydrophobicContact CD2-CD1 4.16Å; T469-L473 HydrophobicContact CG2-CD1 4.15Å; T469-L473 WeakPolarHBondContact O-CG 3.39Å; T469-L473 PolarHBondContact O-N 2.88Å; T470-L473 PolarHBondContact O-N 2.63Å; R471-L473 VanDerWaalsContact C-N 3.28Å; R471-L473 PolarHBondContact O-N 2.78Å; L473-L476 CarbonylContact O-C 3.57Å; L473-L476 WeakPolarHBondContact O-CB 3.46Å; L473-L476 PolarHBondContact O-N 3.4Å; L473-G477 PolarHBondContact O-N 3.13Å; L473-A478 HydrophobicContact CB-CB 4.06Å; L473-A478 WeakPolarHBondContact O-CB 3.48Å; L473-A478 PolarHBondContact O-N 2.72Å
474I81.9Confident69.1Low12 Ų1243.8 Ų43.86%0.06224%0.237CC..Hα-helixtrans-69.9-40.5177.2-71.6179.1000111.1L460 T470 R471 L476 G477 L480 I497 I499L460-I474 HydrophobicContact CD1-CD1 4.5Å; L460-I474 HydrophobicContact CD1-CG1 3.91Å; T470-I474 HydrophobicContact CG2-CD1 4.24Å; T470-I474 WeakPolarHBondContact O-CG1 3.41Å; T470-I474 PolarHBondContact O-N 3.43Å; R471-I474 PolarHBondContact O-N 3.11Å; I474-L476 PolarHBondContact O-N 3.25Å; I474-G477 PolarHBondContact O-N 2.69Å; I474-L480 HydrophobicContact CD1-CB 4.36Å; I474-I497 HydrophobicContact CB-CG2 4.04Å; I474-I497 HydrophobicContact CD1-CB 4.34Å; I474-I497 HydrophobicContact CD1-CD1 3.94Å; I474-I497 HydrophobicContact CD1-CG2 4.13Å; I474-I497 HydrophobicContact CG2-CG2 3.76Å; I474-I499 HydrophobicContact CG2-CB 3.93Å; I474-I499 HydrophobicContact CG2-CD1 3.79Å; I474-I499 HydrophobicContact CG2-CG1 4.24Å
475E81.8Confident67.9Low59 Ų5942.7 Ų42.728%0.27624%0.238SC..Hα-helixtrans-63.4-25.2172-70.5-174.2-159.600112.1M441 T445 R471 G477M441-E475 WeakPolarHBondContact CG-OE2 3.49Å; T445-E475 VanDerWaalsContact CG2-C 3.46Å; T445-E475 HydrophobicContact CG2-CB 3.78Å; T445-E475 WeakPolarHBondContact CG2-O 3.32Å; T445-E475 PolarHBondContact OG1-OE2 3.18Å; R471-E475 HydrophobicContact CG-CG 4.42Å; R471-E475 IonicContact CZ-OE1 3.7Å; R471-E475 IonicContact NE-OE1 3.77Å; R471-E475 PolarHBondContact NE-OE1 3.08Å; R471-E475 IonicContact NH2-OE1 2.82Å; R471-E475 PolarHBondContact NH2-OE1 2.96Å; R471-E475 VanDerWaalsContact NH2-OE1 3.13Å; R471-E475 WeakPolarHBondContact O-CG 3.39Å; R471-E475 PolarHBondContact O-N 3.46Å; E475-G477 VanDerWaalsContact C-N 3.32Å
476L82.9Confident66.3Low10 Ų1049 Ų495%0.05228%0.279CS..THydrogen-bonded Turntrans-82.90.6171.9-169.961.3000113.9L424 T445 M448 M449 A453 A455 L472 L473 I474L424-L476 HydrophobicContact CD1-CD2 4.11Å; T445-L476 HydrophobicContact CG2-CB 4.33Å; M448-L476 HydrophobicContact CB-CD1 3.91Å; M448-L476 HydrophobicContact CB-CD2 3.8Å; M448-L476 HydrophobicContact CB-CG 4.49Å; M448-L476 HydrophobicContact CE-CD2 3.53Å; M448-L476 HydrophobicContact CG-CD2 4.39Å; M448-L476 HydrophobicContact SD-CD2 3.76Å; M449-L476 HydrophobicContact CB-CD1 4.46Å; M449-L476 HydrophobicContact CG-CD1 3.37Å; A453-L476 HydrophobicContact CB-CD2 4.15Å; A455-L476 HydrophobicContact CB-CB 4.03Å; A455-L476 HydrophobicContact CB-CD2 4.14Å; A455-L476 HydrophobicContact CB-CG 3.87Å; A455-L476 WeakPolarHBondContact CB-O 3.23Å; L472-L476 VanDerWaalsContact O-CB 3.29Å; L472-L476 WeakPolarHBondContact O-CB 3.4Å; L472-L476 PolarHBondContact O-N 2.94Å; L473-L476 CarbonylContact O-C 3.57Å; L473-L476 WeakPolarHBondContact O-CB 3.46Å; L473-L476 PolarHBondContact O-N 3.4Å; I474-L476 PolarHBondContact O-N 3.25Å
477G80.1Confident64.5Low37 Ų3752.3 Ų52.338%0.38130%0.304SS..THydrogen-bonded Turntrans99.212.8176.800000116.2A455 D456 L473 I474 E475A455-G477 CarbonylContact C-O 3.52Å; D456-G477 WeakPolarHBondContact CA-O 3.49Å; L473-G477 PolarHBondContact O-N 3.13Å; I474-G477 PolarHBondContact O-N 2.69Å; E475-G477 VanDerWaalsContact C-N 3.32Å
478A79.4Confident62.7Low5 Ų552.8 Ų52.84%0.04131%0.313CS..PPolyproline II helixtrans-66.5141.2172.600000111.6A455 L458 L460 L473A455-A478 HydrophobicContact CB-CB 3.93Å; A455-A478 WeakPolarHBondContact O-CA 3.46Å; L458-A478 HydrophobicContact CB-CB 4.25Å; L458-A478 HydrophobicContact CD2-CB 4.33Å; L458-A478 HydrophobicContact CG-CB 4.48Å; L460-A478 HydrophobicContact CD1-CB 3.54Å; L460-A478 HydrophobicContact CG-CB 3.86Å; L473-A478 HydrophobicContact CB-CB 4.06Å; L473-A478 WeakPolarHBondContact O-CB 3.48Å; L473-A478 PolarHBondContact O-N 2.72Å
479T72.8Confident60.4Low74 Ų7458.7 Ų58.745%0.45434%0.337SS..EExtended strand (participates in β ladder)trans-97.212917833.40000110.6L458 L459 L460L458-T479 PolarHBondContact O-N 3.48Å; L459-T479 CarbonylContact C-O 3.54Å; L459-T479 WeakPolarHBondContact CA-O 3.36Å; L460-T479 PolarHBondContact N-O 2.87Å
480L66.4Low58.1Low55 Ų5565.3 Ų65.329%0.28837%0.368SS..EExtended strand (participates in β ladder)trans-82.1128.4174.3-166.370.8000109.9L460 I474 L495L460-L480 HydrophobicContact CB-CD1 4.1Å; L460-L480 CarbonylContact O-C 3.58Å; L460-L480 WeakPolarHBondContact O-CA 3.37Å; L460-L480 WeakPolarHBondContact O-CD1 3.48Å; I474-L480 HydrophobicContact CD1-CB 4.36Å; L480-L495 HydrophobicContact CD1-CD1 3.5Å; L480-L495 HydrophobicContact CD2-CD1 4.09Å; L480-L495 HydrophobicContact CG-CD1 4.49Å
481A58.3Low55.8Low30 Ų3067 Ų6725%0.24838%0.38CS..PPolyproline II helixtrans-84.6121.5177.300000110.1L459 L460 T461L459-A481 HydrophobicContact CD1-CB 3.79Å; L459-A481 HydrophobicContact CD2-CB 4.02Å; L459-A481 HydrophobicContact CG-CB 3.82Å; L460-A481 PolarHBondContact O-N 2.94Å; T461-A481 HydrophobicContact CG2-CB 3.98Å
482T49.3Very low53.3Low38 Ų3867 Ų6723%0.23340%0.395CS..PPolyproline II helixtrans-97.7131.3-174.562.30000110.3K484 D501T482-K484 PolarHBondContact O-N 2.92Å; T482-D501 VanDerWaalsContact CB-CG 3.45Å; T482-D501 VanDerWaalsContact CB-OD1 3.28Å; T482-D501 WeakPolarHBondContact CB-OD1 3.46Å; T482-D501 HydrophobicContact CG2-CB 3.45Å; T482-D501 VanDerWaalsContact CG2-CB 3.45Å; T482-D501 VanDerWaalsContact CG2-OD1 3.26Å; T482-D501 WeakPolarHBondContact CG2-OD1 3.37Å; T482-D501 PolarHBondContact OG1-OD1 2.8Å
483P40.7Very low50.8Low97 Ų9769.2 Ų69.263%0.6341%0.408SS*.  trans-76.987.4-163.429.3-35.9000112.6G485P483-G485 VanDerWaalsContact C-N 3.33Å; P483-G485 PolarHBondContact O-N 3.42Å
484K30.1Very low48.2Very low196 Ų19671.8 Ų71.885%0.85242%0.422SS*.  trans-77.277.8175.4-65.7-178.9-178.7-179.60111.3T482T482-K484 PolarHBondContact O-N 2.92Å
485G32.2Very low45.8Very low38 Ų3872.2 Ų72.239%0.39242%0.424SS..  trans-153.7138.4177.100000113.3P483 S487P483-G485 VanDerWaalsContact C-N 3.33Å; P483-G485 PolarHBondContact O-N 3.42Å; G485-S487 VanDerWaalsContact C-N 3.32Å; G485-S487 PolarHBondContact O-N 3.18Å
486P28.5Very low43.2Very low144 Ų14471.5 Ų71.594%0.93543%0.425SS*.THydrogen-bonded Turntrans-75.3-3.3-169.7-19.333.6000117.4
487S29.3Very low40.7Very low91 Ų9171.7 Ų71.764%0.63643%0.426SS*.THydrogen-bonded Turntrans-108-16.3-167.6500000115.8G485 K489G485-S487 VanDerWaalsContact C-N 3.32Å; G485-S487 PolarHBondContact O-N 3.18Å; S487-K489 PolarHBondContact O-N 3.23Å
488S30.5Very low38.2Very low57 Ų5774.6 Ų74.640%0.39944%0.438SS..  trans-8365.8-167.557.60000114.5H490S488-H490 VanDerWaalsContact C-N 3.26Å; S488-H490 PolarHBondContact O-N 2.82Å
489K29.2Very low35.9Very low190 Ų19078.1 Ų78.183%0.82646%0.456SS*.THydrogen-bonded Turntrans-76.23.2178.8-76.2-168.2174.7-175.50115.9S487S487-K489 PolarHBondContact O-N 3.23Å
490H29.6Very low33.9Very low139 Ų13981.9 Ų81.964%0.64447%0.468SS*.THydrogen-bonded Turntrans-1290.5-171.9-77.4-45.7000117.4S488S488-H490 VanDerWaalsContact C-N 3.26Å; S488-H490 PolarHBondContact O-N 2.82Å
491C25.6Very low32.2Very low37 Ų3781.6 Ų81.625%0.2547%0.467CS..  trans-120.354.7176.9-80.50000113.5D131 V493D131-C491 PolarHBondContact OD2-SG 2.84Å; D131-C491 VanDerWaalsContact OD2-SG 3.39Å; C491-V493 PolarHBondContact O-N 3.48Å
492S25.6Very low30.9Very low99 Ų9988.6 Ų88.669%0.69250%0.495SS*.  trans-74.364.7162.244.90000110.9N494S492-N494 VanDerWaalsContact C-N 3.3Å; S492-N494 PolarHBondContact O-N 2.97Å
493V31.5Very low30.4Very low46 Ų4689.3 Ų89.328%0.27950%0.501SS..  trans-71.594.4172.1-169.60000108.5P463 C491 L495P463-V493 HydrophobicContact CG-CG1 3.49Å; P463-V493 VanDerWaalsContact CG-CG1 3.49Å; C491-V493 PolarHBondContact O-N 3.48Å; V493-L495 VanDerWaalsContact C-N 3.3Å; V493-L495 PolarHBondContact O-N 3.16Å
494N27.8Very low30.4Very low54 Ų5490 Ų9029%0.28950%0.496SS..  trans-7877.6-167.8-125.9-24.8000110S492 S496 K508 E538S492-N494 VanDerWaalsContact C-N 3.3Å; S492-N494 PolarHBondContact O-N 2.97Å; N494-S496 PolarHBondContact O-N 3.36Å; N494-K508 VanDerWaalsContact CG-NZ 3.34Å; N494-K508 PolarHBondContact O-NZ 3.34Å; N494-K508 VanDerWaalsContact O-NZ 3.1Å; N494-K508 VanDerWaalsContact OD1-CE 3.3Å; N494-K508 WeakPolarHBondContact OD1-CE 3.2Å; N494-K508 PolarHBondContact OD1-NZ 3.15Å; N494-E538 HydrophobicContact CB-CG 3.41Å; N494-E538 VanDerWaalsContact CB-CG 3.41Å; N494-E538 VanDerWaalsContact O-CD 3.28Å
495L29.7Very low31.1Very low21 Ų2182.6 Ų82.611%0.1147%0.467CS..  trans-59.9107.4169.5-83.9167.6000109.6P463 T470 L480 V493 I497 K508P463-L495 HydrophobicContact CB-CD1 4.3Å; P463-L495 HydrophobicContact CB-CD2 3.87Å; P463-L495 HydrophobicContact CB-CG 4.27Å; T470-L495 HydrophobicContact CG2-CD1 3.61Å; T470-L495 HydrophobicContact CG2-CD2 3.64Å; T470-L495 HydrophobicContact CG2-CG 4.26Å; L480-L495 HydrophobicContact CD1-CD1 3.5Å; L480-L495 HydrophobicContact CD2-CD1 4.09Å; L480-L495 HydrophobicContact CG-CD1 4.49Å; V493-L495 VanDerWaalsContact C-N 3.3Å; V493-L495 PolarHBondContact O-N 3.16Å; L495-I497 HydrophobicContact CB-CD1 4.38Å; L495-I497 HydrophobicContact CD2-CD1 3.8Å; L495-I497 PolarHBondContact O-N 2.93Å; L495-K508 PolarHBondContact O-NZ 3.44Å
496S27.7Very low31.9Very low43 Ų4381.2 Ų81.230%0.30145%0.451SS..  trans-82.756178.618.20000110.6H467 N494 E538H467-S496 PolarHBondContact CE1-O 3.18Å; H467-S496 VanDerWaalsContact CE1-O 3.3Å; H467-S496 WeakPolarHBondContact NE2-CB 3.38Å; H467-S496 PolarHBondContact NE2-N 2.92Å; H467-S496 PolarHBondContact NE2-OG 3.25Å; N494-S496 PolarHBondContact O-N 3.36Å; S496-E538 WeakPolarHBondContact CB-OE1 3.48Å; S496-E538 VanDerWaalsContact OG-CD 3.31Å; S496-E538 PolarHBondContact OG-OE1 3.07Å; S496-E538 PolarHBondContact OG-OE2 3.13Å
497I31.7Very low33.3Very low14 Ų1475.6 Ų75.67%0.07241%0.413CS..  trans-121.9121.5175.6-54.2156.3000107.1T470 R471 I474 L495 I499T470-I497 VanDerWaalsContact C-CD1 3.49Å; T470-I497 HydrophobicContact CG2-CD1 3.78Å; R471-I497 VanDerWaalsContact CA-CD1 3.46Å; R471-I497 HydrophobicContact CB-CD1 3.89Å; R471-I497 HydrophobicContact CB-CG1 3.84Å; R471-I497 HydrophobicContact CG-CG1 4.2Å; R471-I497 HydrophobicContact CG-CG2 4.22Å; R471-I497 VanDerWaalsContact N-CD1 3.28Å; I474-I497 HydrophobicContact CB-CG2 4.04Å; I474-I497 HydrophobicContact CD1-CB 4.34Å; I474-I497 HydrophobicContact CD1-CD1 3.94Å; I474-I497 HydrophobicContact CD1-CG2 4.13Å; I474-I497 HydrophobicContact CG2-CG2 3.76Å; L495-I497 HydrophobicContact CB-CD1 4.38Å; L495-I497 HydrophobicContact CD2-CD1 3.8Å; L495-I497 PolarHBondContact O-N 2.93Å; I497-I499 PolarHBondContact O-N 3.28Å
498P25.6Very low34.7Very low98 Ų9873.7 Ų73.764%0.63639%0.393SS*.  trans-87.862.3-165.335.3-37.6000113.9
499I31.8Very low36.7Very low80 Ų8072 Ų7241%0.4138%0.381SS..SBendtrans-129.5106.2165.5-72.190.3000111.6I474 I497I474-I499 HydrophobicContact CG2-CB 3.93Å; I474-I499 HydrophobicContact CG2-CD1 3.79Å; I474-I499 HydrophobicContact CG2-CG1 4.24Å; I497-I499 PolarHBondContact O-N 3.28Å
500Q30.6Very low39.3Very low153 Ų15363 Ų6372%0.71534%0.342SS*.  trans49.373.7144.8-63.5171.7-15.600119.7
501D30.2Very low42Very low49 Ų4957 Ų5726%0.26231%0.314SS..  -112.3120.6126.6-159.337.8000106.6T482 S503 H504 V505T482-D501 VanDerWaalsContact CB-CG 3.45Å; T482-D501 VanDerWaalsContact CB-OD1 3.28Å; T482-D501 WeakPolarHBondContact CB-OD1 3.46Å; T482-D501 HydrophobicContact CG2-CB 3.45Å; T482-D501 VanDerWaalsContact CG2-CB 3.45Å; T482-D501 VanDerWaalsContact CG2-OD1 3.26Å; T482-D501 WeakPolarHBondContact CG2-OD1 3.37Å; T482-D501 PolarHBondContact OG1-OD1 2.8Å; D501-S503 VanDerWaalsContact C-N 3.26Å; D501-S503 PolarHBondContact O-N 3.33Å; D501-S503 VanDerWaalsContact O-N 3.12Å; D501-H504 HydrophobicContact CB-CB 4.46Å; D501-H504 PolarHBondContact O-N 2.68Å; D501-H504 VanDerWaalsContact O-N 3.11Å; D501-H504 IonicContact OD2-CD2 3.85Å; D501-V505 WeakPolarHBondContact O-CG2 3.48Å; D501-V505 PolarHBondContact O-N 2.97Å
502E31.4Very low44.8Very low176 Ų17657.8 Ų57.882%0.82232%0.32SS*.Hα-helixtrans-65.7-25.4-157.9-63.7-168.7136.500114.4
503S38.8Very low47.6Very low53 Ų5353.7 Ų53.737%0.37129%0.292SS..Hα-helixtrans-76.2-51.2170.451.40000112.4D501 S506 H507D501-S503 VanDerWaalsContact C-N 3.26Å; D501-S503 PolarHBondContact O-N 3.33Å; D501-S503 VanDerWaalsContact O-N 3.12Å; S503-S506 PolarHBondContact O-N 3.33Å; S503-S506 PolarHBondContact O-OG 2.6Å; S503-H507 PolarHBondContact O-CD2 3.09Å
504H40.7Very low50.3Low111 Ų11151.5 Ų51.551%0.51428%0.278SS..Hα-helixtrans-72.9-29.8-175-80.9-73.1000114.3D501 S506 H507 K508D501-H504 HydrophobicContact CB-CB 4.46Å; D501-H504 PolarHBondContact O-N 2.68Å; D501-H504 VanDerWaalsContact O-N 3.11Å; D501-H504 IonicContact OD2-CD2 3.85Å; H504-S506 VanDerWaalsContact C-N 3.29Å; H504-S506 PolarHBondContact O-N 3.26Å; H504-H507 PolarHBondContact O-N 2.81Å; H504-K508 PolarHBondContact O-N 2.77Å
505V45.8Very low53.2Low41 Ų4153 Ų5325%0.24828%0.283CS..Hα-helixtrans-58.7-45.1170.4171.80000110.2D501 H507 K508 S509D501-V505 WeakPolarHBondContact O-CG2 3.48Å; D501-V505 PolarHBondContact O-N 2.97Å; V505-H507 PolarHBondContact O-N 3.37Å; V505-K508 PolarHBondContact O-N 3.38Å; V505-K508 VanDerWaalsContact O-N 3.14Å; V505-S509 WeakPolarHBondContact O-CB 3.3Å; V505-S509 PolarHBondContact O-N 3.23Å; V505-S509 PolarHBondContact O-OG 3.17Å
506S48.3Very low55.9Low9 Ų957.3 Ų57.36%0.06331%0.307CS..Hα-helixtrans-62.5-27.6-174.677.70000114.1S503 H504 S509 L510 V531S503-S506 PolarHBondContact O-N 3.33Å; S503-S506 PolarHBondContact O-OG 2.6Å; H504-S506 VanDerWaalsContact C-N 3.29Å; H504-S506 PolarHBondContact O-N 3.26Å; S506-S509 VanDerWaalsContact CA-OG 3.3Å; S506-S509 WeakPolarHBondContact CA-OG 3.41Å; S506-S509 PolarHBondContact O-OG 3.41Å; S506-L510 WeakPolarHBondContact O-CB 3.42Å; S506-L510 PolarHBondContact O-N 2.89Å; S506-L510 VanDerWaalsContact O-N 3.15Å; S506-V531 WeakPolarHBondContact OG-CG2 3.45Å
507H57.7Low58.6Low27 Ų2756.2 Ų56.213%0.12530%0.303CS..Hα-helixtrans-81.4-43.4172.9-59.8-60.9000112.1S503 H504 V505 S509 L510 H511 V535S503-H507 PolarHBondContact O-CD2 3.09Å; H504-H507 PolarHBondContact O-N 2.81Å; V505-H507 PolarHBondContact O-N 3.37Å; H507-S509 VanDerWaalsContact C-N 3.31Å; H507-S509 PolarHBondContact O-N 3.14Å; H507-L510 WeakPolarHBondContact O-CB 3.34Å; H507-L510 PolarHBondContact O-N 3.18Å; H507-H511 CovalentContact O-CE1 1.84Å; H507-H511 PolarHBondContact O-CE1 2.71Å; H507-H511 PolarHBondContact O-N 2.81Å; H507-H511 PolarHBondContact O-ND1 3.02Å; H507-V535 HydrophobicContact CB-CG1 3.98Å
508K59.3Low61.1Low51 Ų5157.2 Ų57.222%0.22231%0.31CS..Hα-helixtrans-66.9-33.6177.3-86.6178160.6167.80112.4N494 L495 H504 V505 H511 S512 E538N494-K508 VanDerWaalsContact CG-NZ 3.34Å; N494-K508 PolarHBondContact O-NZ 3.34Å; N494-K508 VanDerWaalsContact O-NZ 3.1Å; N494-K508 VanDerWaalsContact OD1-CE 3.3Å; N494-K508 WeakPolarHBondContact OD1-CE 3.2Å; N494-K508 PolarHBondContact OD1-NZ 3.15Å; L495-K508 PolarHBondContact O-NZ 3.44Å; H504-K508 PolarHBondContact O-N 2.77Å; V505-K508 PolarHBondContact O-N 3.38Å; V505-K508 VanDerWaalsContact O-N 3.14Å; K508-H511 PolarHBondContact N-CE1 2.79Å; K508-S512 WeakPolarHBondContact O-CB 3.3Å; K508-S512 PolarHBondContact O-N 2.88Å; K508-E538 WeakPolarHBondContact CE-OE1 3.3Å; K508-E538 IonicContact NZ-OE1 3.6Å; K508-E538 PolarHBondContact NZ-OE1 2.9Å
509S73.3Confident63.8Low22 Ų2254.6 Ų54.615%0.15429%0.294CS..Hα-helixtrans-71.9-34170.663.20000112.6V505 S506 H507 S513 W525V505-S509 WeakPolarHBondContact O-CB 3.3Å; V505-S509 PolarHBondContact O-N 3.23Å; V505-S509 PolarHBondContact O-OG 3.17Å; S506-S509 VanDerWaalsContact CA-OG 3.3Å; S506-S509 WeakPolarHBondContact CA-OG 3.41Å; S506-S509 PolarHBondContact O-OG 3.41Å; H507-S509 VanDerWaalsContact C-N 3.31Å; H507-S509 PolarHBondContact O-N 3.14Å; S509-S513 WeakPolarHBondContact O-CB 3.38Å; S509-S513 PolarHBondContact O-N 3.06Å; S509-S513 PolarHBondContact O-OG 3.24Å; S509-W525 WeakPolarHBondContact OG-CH2 3.25Å; S509-W525 WeakPolarHBondContact OG-CZ2 3.46Å; S509-W525 WeakPolarHBondContact OG-CZ3 3.14Å
510L83.2Confident66.2Low0 Ų055.2 Ų55.20%030%0.302CS..Hα-helixtrans-61.7-48.4170.817866.3000111.1S506 H507 S513 A514 V522 W525 V531 A543 L559S506-L510 WeakPolarHBondContact O-CB 3.42Å; S506-L510 PolarHBondContact O-N 2.89Å; S506-L510 VanDerWaalsContact O-N 3.15Å; H507-L510 WeakPolarHBondContact O-CB 3.34Å; H507-L510 PolarHBondContact O-N 3.18Å; L510-S513 PolarHBondContact O-N 2.88Å; L510-A514 VanDerWaalsContact O-CB 3.3Å; L510-A514 WeakPolarHBondContact O-CB 3.39Å; L510-A514 PolarHBondContact O-N 3.02Å; L510-V522 HydrophobicContact CD1-CB 4.38Å; L510-V522 HydrophobicContact CD1-CG1 4.03Å; L510-V522 HydrophobicContact CD1-CG2 4.23Å; L510-W525 HydrophobicContact CB-CB 4.38Å; L510-W525 HydrophobicContact CB-CG 4.42Å; L510-W525 HydrophobicContact CD1-CB 3.96Å; L510-V531 HydrophobicContact CB-CG1 4.31Å; L510-V531 HydrophobicContact CD2-CG1 3.82Å; L510-A543 HydrophobicContact CD2-CB 3.95Å; L510-A543 HydrophobicContact CG-CB 3.82Å; L510-L559 HydrophobicContact CD1-CD2 4.33Å
511H86.6Confident68.5Low12 Ų1250.1 Ų50.16%0.05628%0.282CS..Hα-helixtrans-58.2-49.3175.8-73.994000111.9H507 K508 S513 A514 Q515 V535 E536 N541 L546H507-H511 CovalentContact O-CE1 1.84Å; H507-H511 PolarHBondContact O-CE1 2.71Å; H507-H511 PolarHBondContact O-N 2.81Å; H507-H511 PolarHBondContact O-ND1 3.02Å; K508-H511 PolarHBondContact N-CE1 2.79Å; H511-S513 PolarHBondContact O-N 3.04Å; H511-A514 PolarHBondContact O-N 3.28Å; H511-Q515 WeakPolarHBondContact O-CB 3.4Å; H511-Q515 PolarHBondContact O-N 3.36Å; H511-V535 WeakPolarHBondContact NE2-CB 3.13Å; H511-V535 WeakPolarHBondContact NE2-CG1 3.36Å; H511-V535 PolarHBondContact NE2-O 2.62Å; H511-E536 PolarHBondContact NE2-N 2.86Å; H511-E536 PolarHBondContact NE2-O 3.18Å; H511-N541 PolarHBondContact CD2-O 2.68Å; H511-L546 HydrophobicContact CB-CD1 3.72Å
512S83.6Confident71Confident54 Ų5447.8 Ų47.838%0.37827%0.27SS..Hα-helixtrans-64-39.1176.9-173.30000112.5K508 A514 Q515 N516K508-S512 WeakPolarHBondContact O-CB 3.3Å; K508-S512 PolarHBondContact O-N 2.88Å; S512-A514 VanDerWaalsContact C-N 3.31Å; S512-A514 PolarHBondContact O-N 3.48Å; S512-Q515 PolarHBondContact O-N 2.87Å; S512-N516 VanDerWaalsContact O-CB 3.27Å; S512-N516 WeakPolarHBondContact O-CB 3.42Å; S512-N516 VanDerWaalsContact O-CG 3.28Å; S512-N516 PolarHBondContact O-N 2.91Å; S512-N516 PolarHBondContact O-ND2 3.08Å; S512-N516 PolarHBondContact OG-ND2 3.14Å
513S84.1Confident73.4Confident14 Ų1445.9 Ų45.910%0.09826%0.255CS..Hα-helixtrans-63.7-37.9174.9-61.90000111.7S509 L510 H511 G517 C518 C521 W525S509-S513 WeakPolarHBondContact O-CB 3.38Å; S509-S513 PolarHBondContact O-N 3.06Å; S509-S513 PolarHBondContact O-OG 3.24Å; L510-S513 PolarHBondContact O-N 2.88Å; H511-S513 PolarHBondContact O-N 3.04Å; S513-G517 PolarHBondContact O-N 3.39Å; S513-G517 VanDerWaalsContact O-N 3.11Å; S513-C518 PolarHBondContact O-N 3.27Å; S513-C521 VanDerWaalsContact OG-CB 3.28Å; S513-C521 WeakPolarHBondContact OG-CB 3.36Å; S513-W525 PolarHBondContact OG-NE1 3.33Å
514A88Confident75.2Confident0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-72.4-41.9178.800000112.2L510 H511 S512 G517 V522 A543 A547 H552 V555 L559L510-A514 VanDerWaalsContact O-CB 3.3Å; L510-A514 WeakPolarHBondContact O-CB 3.39Å; L510-A514 PolarHBondContact O-N 3.02Å; H511-A514 PolarHBondContact O-N 3.28Å; S512-A514 VanDerWaalsContact C-N 3.31Å; S512-A514 PolarHBondContact O-N 3.48Å; A514-G517 PolarHBondContact O-N 3.25Å; A514-V522 HydrophobicContact CB-CG2 4.38Å; A514-A543 HydrophobicContact CB-CB 4.13Å; A514-A543 WeakPolarHBondContact CB-O 3.5Å; A514-A547 HydrophobicContact CB-CB 4.27Å; A514-H552 PolarHBondContact O-CD2 2.93Å; A514-V555 HydrophobicContact CB-CG1 4.04Å; A514-L559 HydrophobicContact CB-CD1 4.37Å
515Q89.7Confident77Confident84 Ų8447.6 Ų47.639%0.39325%0.249SC..Hα-helixtrans-60.1-41.6171168.916919.500112.6H511 S512 G517 L546 F550 H552H511-Q515 WeakPolarHBondContact O-CB 3.4Å; H511-Q515 PolarHBondContact O-N 3.36Å; S512-Q515 PolarHBondContact O-N 2.87Å; Q515-G517 VanDerWaalsContact C-N 3.3Å; Q515-G517 PolarHBondContact O-N 2.92Å; Q515-L546 HydrophobicContact CB-CB 4.44Å; Q515-F550 HydrophobicContact CB-CD2 4.23Å; Q515-F550 HydrophobicContact CB-CE2 4.27Å; Q515-F550 HydrophobicContact CG-CD2 3.84Å; Q515-F550 HydrophobicContact CG-CE2 3.6Å; Q515-F550 HydrophobicContact CG-CZ 4.21Å; Q515-H552 PolarHBondContact O-CD2 3.49Å; Q515-H552 PolarHBondContact O-NE2 3.45Å
516N85Confident78.5Confident112 Ų11247.8 Ų47.860%0.59925%0.249SC*.THydrogen-bonded Turntrans-84.52.2179.9-68.3-36.2000113.8S512 C518S512-N516 VanDerWaalsContact O-CB 3.27Å; S512-N516 WeakPolarHBondContact O-CB 3.42Å; S512-N516 VanDerWaalsContact O-CG 3.28Å; S512-N516 PolarHBondContact O-N 2.91Å; S512-N516 PolarHBondContact O-ND2 3.08Å; S512-N516 PolarHBondContact OG-ND2 3.14Å; N516-C518 PolarHBondContact O-N 3.16Å
517G85.6Confident79.8Confident21 Ų2151.6 Ų51.622%0.21628%0.275CS..THydrogen-bonded Turntrans69.413.3178.600000115.5S513 A514 Q515 S519 H552S513-G517 PolarHBondContact O-N 3.39Å; S513-G517 VanDerWaalsContact O-N 3.11Å; A514-G517 PolarHBondContact O-N 3.25Å; Q515-G517 VanDerWaalsContact C-N 3.3Å; Q515-G517 PolarHBondContact O-N 2.92Å; G517-S519 VanDerWaalsContact C-N 3.34Å; G517-S519 PolarHBondContact O-N 2.83Å; G517-H552 VanDerWaalsContact CA-CG 3.45Å; G517-H552 WeakPolarHBondContact CA-ND1 3.37Å; G517-H552 PolarHBondContact N-NE2 2.96Å
518C84.4Confident80.3Confident34 Ų3452 Ų5223%0.2328%0.281CS..  trans-72.285.3-175.4-173.90000111.6S513 N516 T520 C521 V522S513-C518 PolarHBondContact O-N 3.27Å; N516-C518 PolarHBondContact O-N 3.16Å; C518-T520 PolarHBondContact O-N 3.37Å; C518-T520 PolarHBondContact SG-OG1 3.21Å; C518-T520 VanDerWaalsContact SG-OG1 3.36Å; C518-C521 HydrophobicContact CB-CB 3.61Å; C518-C521 WeakPolarHBondContact CB-SG 3.44Å; C518-C521 PolarHBondContact O-N 3.01Å; C518-C521 VanDerWaalsContact O-N 3.16Å; C518-C521 WeakPolarHBondContact SG-CB 3.25Å; C518-C521 PolarHBondContact SG-N 3.42Å; C518-C521 CovalentContact SG-SG 2.04Å; C518-C521 PolarHBondContact SG-SG 3.23Å; C518-V522 WeakPolarHBondContact O-CG2 3.38Å; C518-V522 PolarHBondContact O-N 3.42Å
519S82.3Confident80Confident43 Ų4354.8 Ų54.830%0.30131%0.313SS..Hα-helixtrans-62.7-24.4-175.772.60000114.1G517 R523 Q558G517-S519 VanDerWaalsContact C-N 3.34Å; G517-S519 PolarHBondContact O-N 2.83Å; S519-R523 PolarHBondContact O-N 2.92Å; S519-Q558 PolarHBondContact O-NE2 2.83Å; S519-Q558 VanDerWaalsContact O-NE2 3.11Å; S519-Q558 PolarHBondContact O-OE1 3.31Å
520T81.2Confident79.4Confident93 Ų9360.3 Ų60.357%0.57134%0.341SS*.Hα-helixtrans-78.8-46.8172.246.90000111.8C518 V522 R523 W524C518-T520 PolarHBondContact O-N 3.37Å; C518-T520 PolarHBondContact SG-OG1 3.21Å; C518-T520 VanDerWaalsContact SG-OG1 3.36Å; T520-V522 PolarHBondContact O-N 3.05Å; T520-R523 WeakPolarHBondContact O-CB 3.35Å; T520-R523 PolarHBondContact O-N 3.03Å; T520-W524 PolarHBondContact O-N 3.36Å
521C80Confident78.7Confident46 Ų4660.9 Ų60.931%0.31135%0.345SS..Hα-helixtrans-57.9-50.5176-49.80000110.6S513 C518 R523 W524 W525S513-C521 VanDerWaalsContact OG-CB 3.28Å; S513-C521 WeakPolarHBondContact OG-CB 3.36Å; C518-C521 HydrophobicContact CB-CB 3.61Å; C518-C521 WeakPolarHBondContact CB-SG 3.44Å; C518-C521 PolarHBondContact O-N 3.01Å; C518-C521 VanDerWaalsContact O-N 3.16Å; C518-C521 WeakPolarHBondContact SG-CB 3.25Å; C518-C521 PolarHBondContact SG-N 3.42Å; C518-C521 CovalentContact SG-SG 2.04Å; C518-C521 PolarHBondContact SG-SG 3.23Å; C521-R523 VanDerWaalsContact C-N 3.3Å; C521-R523 PolarHBondContact O-N 2.98Å; C521-W524 WeakPolarHBondContact O-CB 3.23Å; C521-W524 PolarHBondContact O-N 3.44Å; C521-W524 VanDerWaalsContact O-N 3.07Å; C521-W525 PolarHBondContact O-N 3.5Å
522V81.3Confident78.3Confident0 Ų062.9 Ų62.90%036%0.36CS..Hα-helixtrans-57-43.7178.3170.70000111.1L510 A514 C518 T520 W524 W525 L526 V555 L559L510-V522 HydrophobicContact CD1-CB 4.38Å; L510-V522 HydrophobicContact CD1-CG1 4.03Å; L510-V522 HydrophobicContact CD1-CG2 4.23Å; A514-V522 HydrophobicContact CB-CG2 4.38Å; C518-V522 WeakPolarHBondContact O-CG2 3.38Å; C518-V522 PolarHBondContact O-N 3.42Å; T520-V522 PolarHBondContact O-N 3.05Å; V522-W524 VanDerWaalsContact C-N 3.33Å; V522-W524 PolarHBondContact O-N 3.47Å; V522-W525 PolarHBondContact O-N 3.49Å; V522-L526 HydrophobicContact CG1-CD1 3.81Å; V522-L526 HydrophobicContact CG1-CG 4.29Å; V522-L526 WeakPolarHBondContact O-CB 3.4Å; V522-L526 VanDerWaalsContact O-CG 3.24Å; V522-L526 WeakPolarHBondContact O-CG 3.37Å; V522-L526 PolarHBondContact O-N 2.83Å; V522-V555 HydrophobicContact CG1-CG1 4.29Å; V522-V555 HydrophobicContact CG2-CG1 3.95Å; V522-V555 HydrophobicContact CG2-CG2 4.32Å; V522-L559 HydrophobicContact CG1-CD2 3.99Å; V522-L559 HydrophobicContact CG1-CG 4.17Å
523R82.1Confident78.1Confident137 Ų13761.1 Ų61.152%0.51735%0.347SS..Hα-helixtrans-60.9-42.1175.9-167.2178-56.7142.215.1112.4S519 T520 C521 L526 S527 Q558S519-R523 PolarHBondContact O-N 2.92Å; T520-R523 WeakPolarHBondContact O-CB 3.35Å; T520-R523 PolarHBondContact O-N 3.03Å; C521-R523 VanDerWaalsContact C-N 3.3Å; C521-R523 PolarHBondContact O-N 2.98Å; R523-L526 PolarHBondContact O-N 3.31Å; R523-S527 WeakPolarHBondContact O-CB 3.19Å; R523-S527 PolarHBondContact O-N 3.27Å; R523-S527 PolarHBondContact O-OG 3.08Å; R523-Q558 VanDerWaalsContact CZ-OE1 3.29Å
524W77.1Confident78.1Confident153 Ų15362.5 Ų62.558%0.5835%0.354SS*.Hα-helixtrans-65.5-44.9-180-170.779.4000111.9T520 C521 V522 S527 S528T520-W524 PolarHBondContact O-N 3.36Å; C521-W524 WeakPolarHBondContact O-CB 3.23Å; C521-W524 PolarHBondContact O-N 3.44Å; C521-W524 VanDerWaalsContact O-N 3.07Å; V522-W524 VanDerWaalsContact C-N 3.33Å; V522-W524 PolarHBondContact O-N 3.47Å; W524-S527 WeakPolarHBondContact CA-OG 3.29Å; W524-S527 PolarHBondContact O-N 2.91Å; W524-S527 PolarHBondContact O-OG 3.4Å; W524-S528 PolarHBondContact O-N 3.04Å; W524-S528 VanDerWaalsContact O-N 3.09Å; W524-S528 PolarHBondContact O-OG 3.22Å
525W78.2Confident77.9Confident47 Ų4764.4 Ų64.418%0.17837%0.365CS..Hα-helixtrans-59.9-48.8172.4-64.1120.9000111.6S509 L510 S513 C521 V522 S527 S528 V531S509-W525 WeakPolarHBondContact OG-CH2 3.25Å; S509-W525 WeakPolarHBondContact OG-CZ2 3.46Å; S509-W525 WeakPolarHBondContact OG-CZ3 3.14Å; L510-W525 HydrophobicContact CB-CB 4.38Å; L510-W525 HydrophobicContact CB-CG 4.42Å; L510-W525 HydrophobicContact CD1-CB 3.96Å; S513-W525 PolarHBondContact OG-NE1 3.33Å; C521-W525 PolarHBondContact O-N 3.5Å; V522-W525 PolarHBondContact O-N 3.49Å; W525-S527 VanDerWaalsContact C-N 3.27Å; W525-S527 PolarHBondContact O-N 2.92Å; W525-S528 WeakPolarHBondContact O-CB 3.24Å; W525-S528 PolarHBondContact O-N 3.04Å; W525-V531 HydrophobicContact CB-CG1 4.46Å; W525-V531 HydrophobicContact CB-CG2 4.48Å; W525-V531 HydrophobicContact CE3-CG2 4.35Å; W525-V531 WeakPolarHBondContact O-CB 3.46Å; W525-V531 VanDerWaalsContact O-CG2 3.31Å; W525-V531 WeakPolarHBondContact O-CG2 3.42Å
526L77.1Confident77.7Confident45 Ų4565.6 Ų65.624%0.23637%0.371CS..Hα-helixtrans-64-27.3177.4-67.5174.5000113.8V522 R523 S528 P533 Q558 L559 A562V522-L526 HydrophobicContact CG1-CD1 3.81Å; V522-L526 HydrophobicContact CG1-CG 4.29Å; V522-L526 WeakPolarHBondContact O-CB 3.4Å; V522-L526 VanDerWaalsContact O-CG 3.24Å; V522-L526 WeakPolarHBondContact O-CG 3.37Å; V522-L526 PolarHBondContact O-N 2.83Å; R523-L526 PolarHBondContact O-N 3.31Å; L526-S528 VanDerWaalsContact C-N 3.34Å; L526-P533 HydrophobicContact CD2-CB 3.72Å; L526-Q558 HydrophobicContact CD1-CB 4.42Å; L526-L559 HydrophobicContact CD1-CD2 4.22Å; L526-L559 HydrophobicContact CD2-CD2 4.31Å; L526-A562 HydrophobicContact CD1-CB 4.5Å; L526-A562 HydrophobicContact CD2-CB 4.18Å
527S76.4Confident77.7Confident88 Ų8862 Ų6262%0.61535%0.351SS*.Hα-helixtrans-81.4-12.5172.965.20000113.9R523 W524 W525R523-S527 WeakPolarHBondContact O-CB 3.19Å; R523-S527 PolarHBondContact O-N 3.27Å; R523-S527 PolarHBondContact O-OG 3.08Å; W524-S527 WeakPolarHBondContact CA-OG 3.29Å; W524-S527 PolarHBondContact O-N 2.91Å; W524-S527 PolarHBondContact O-OG 3.4Å; W525-S527 VanDerWaalsContact C-N 3.27Å; W525-S527 PolarHBondContact O-N 2.92Å
528S66.8Low77.5Confident37 Ų3762.8 Ų62.826%0.25935%0.35SS..SBendtrans-86114.4177.4-61.30000109.2W524 W525 L526 N530 V531W524-S528 PolarHBondContact O-N 3.04Å; W524-S528 VanDerWaalsContact O-N 3.09Å; W524-S528 PolarHBondContact O-OG 3.22Å; W525-S528 WeakPolarHBondContact O-CB 3.24Å; W525-S528 PolarHBondContact O-N 3.04Å; L526-S528 VanDerWaalsContact C-N 3.34Å; S528-N530 PolarHBondContact O-N 3.3Å; S528-V531 PolarHBondContact O-N 3.14Å
529A54Low77.3Confident108 Ų10863.3 Ų63.389%0.89335%0.353SS*.THydrogen-bonded Turntrans-60.7-0.4-161.700000117.8
530N61.3Low77.4Confident138 Ų13861.3 Ų61.374%0.73834%0.339SS*.THydrogen-bonded Turntrans-105.2-7.8177.7-68.5-18.4000113.9S528S528-N530 PolarHBondContact O-N 3.3Å
531V67.3Low77.8Confident12 Ų1257.7 Ų57.77%0.07332%0.317CS..  trans-98.196.6-172.6-160.30000111.9S506 L510 W525 S528S506-V531 WeakPolarHBondContact OG-CG2 3.45Å; L510-V531 HydrophobicContact CB-CG1 4.31Å; L510-V531 HydrophobicContact CD2-CG1 3.82Å; W525-V531 HydrophobicContact CB-CG1 4.46Å; W525-V531 HydrophobicContact CB-CG2 4.48Å; W525-V531 HydrophobicContact CE3-CG2 4.35Å; W525-V531 WeakPolarHBondContact O-CB 3.46Å; W525-V531 VanDerWaalsContact O-CG2 3.31Å; W525-V531 WeakPolarHBondContact O-CG2 3.42Å; S528-V531 PolarHBondContact O-N 3.14Å
532S79.4Confident78.3Confident54 Ų5455.8 Ų55.838%0.37830%0.303SS..  trans-62.6134.8167.8169.10000111.1D534S532-D534 VanDerWaalsContact C-N 3.28Å; S532-D534 PolarHBondContact O-N 2.78Å; S532-D534 PolarHBondContact OG-N 2.75Å
533P79.5Confident78.7Confident17 Ų1755.8 Ų55.811%0.1130%0.303CS..THydrogen-bonded Turntrans-70.3-23.9177.227.2-33.7000113.4L526 V535 A562L526-P533 HydrophobicContact CD2-CB 3.72Å; P533-V535 VanDerWaalsContact C-N 3.34Å; P533-A562 HydrophobicContact CB-CB 4.01Å; P533-A562 VanDerWaalsContact CG-C 3.42Å; P533-A562 HydrophobicContact CG-CB 3.87Å; P533-A562 VanDerWaalsContact CG-O 3.32Å; P533-A562 WeakPolarHBondContact CG-O 3.17Å
534D83.3Confident79.2Confident44 Ų4449.3 Ų49.324%0.23528%0.279CS..THydrogen-bonded Turntrans-95.317.5-173.3-65.1-50.8000112.5S532 S563 H564S532-D534 VanDerWaalsContact C-N 3.28Å; S532-D534 PolarHBondContact O-N 2.78Å; S532-D534 PolarHBondContact OG-N 2.75Å; D534-S563 WeakPolarHBondContact OD1-CA 3.41Å; D534-S563 WeakPolarHBondContact OD1-CB 3.2Å; D534-S563 PolarHBondContact OD1-OG 2.88Å; D534-S563 WeakPolarHBondContact OD2-CA 3.46Å; D534-H564 PolarHBondContact OD2-N 2.81Å; D534-H564 IonicContact OD2-ND1 2.84Å
535V83.5Confident80Confident40 Ų4042.6 Ų42.624%0.24225%0.254CS..  trans-75141.9174.6178.90000110.5H507 H511 P533 T542H507-V535 HydrophobicContact CB-CG1 3.98Å; H511-V535 WeakPolarHBondContact NE2-CB 3.13Å; H511-V535 WeakPolarHBondContact NE2-CG1 3.36Å; H511-V535 PolarHBondContact NE2-O 2.62Å; P533-V535 VanDerWaalsContact C-N 3.34Å; V535-T542 WeakPolarHBondContact O-CA 3.42Å
536E86.7Confident80.6Confident109 Ų10941 Ų4151%0.50925%0.249SC..BIsolated β-bridgetrans-99.6153.3-179-64.9171.3-158.500112.4H511 N541 T542H511-E536 PolarHBondContact NE2-N 2.86Å; H511-E536 PolarHBondContact NE2-O 3.18Å; E536-N541 CarbonylContact C-O 3.43Å; E536-N541 WeakPolarHBondContact CA-O 3.36Å; E536-T542 HydrophobicContact CG-CG2 4.06Å
537D84Confident81.4Confident35 Ų3538.8 Ų38.819%0.18724%0.237CC..  trans-88.1-169.4172.378.63.8000113.8C539 G540 N541D537-C539 PolarHBondContact O-N 3.31Å; D537-C539 WeakPolarHBondContact OD1-CA 3.45Å; D537-C539 PolarHBondContact OD1-N 2.86Å; D537-G540 PolarHBondContact O-N 3.47Å; D537-G540 VanDerWaalsContact O-N 3.09Å; D537-G540 PolarHBondContact OD1-N 3.4Å; D537-G540 VanDerWaalsContact OD1-N 3.13Å; D537-N541 PolarHBondContact N-O 3.01Å; D537-N541 WeakPolarHBondContact OD1-CB 3.34Å; D537-N541 PolarHBondContact OD1-N 2.9Å; D537-N541 PolarHBondContact OD1-ND2 3.49Å; D537-N541 WeakPolarHBondContact OD2-CB 3.37Å; D537-N541 PolarHBondContact OD2-ND2 3.43Å
538E81.2Confident82.3Confident39 Ų3934.6 Ų34.618%0.18221%0.208CC..THydrogen-bonded Turntrans-59-24.2178-78.9154.2-12900114.5N494 S496 K508 R571N494-E538 HydrophobicContact CB-CG 3.41Å; N494-E538 VanDerWaalsContact CB-CG 3.41Å; N494-E538 VanDerWaalsContact O-CD 3.28Å; S496-E538 WeakPolarHBondContact CB-OE1 3.48Å; S496-E538 VanDerWaalsContact OG-CD 3.31Å; S496-E538 PolarHBondContact OG-OE1 3.07Å; S496-E538 PolarHBondContact OG-OE2 3.13Å; K508-E538 WeakPolarHBondContact CE-OE1 3.3Å; K508-E538 IonicContact NZ-OE1 3.6Å; K508-E538 PolarHBondContact NZ-OE1 2.9Å; E538-R571 PolarHBondContact O-NE 2.82Å; E538-R571 PolarHBondContact O-NH1 3.49Å; E538-R571 PolarHBondContact O-NH2 2.86Å
539C80Confident83.5Confident44 Ų4435.1 Ų35.130%0.29721%0.206SC..THydrogen-bonded Turntrans-1056.3178.5-60.10000112.5D537 N541 R571D537-C539 PolarHBondContact O-N 3.31Å; D537-C539 WeakPolarHBondContact OD1-CA 3.45Å; D537-C539 PolarHBondContact OD1-N 2.86Å; C539-N541 VanDerWaalsContact C-N 3.29Å; C539-R571 VanDerWaalsContact O-CB 3.3Å; C539-R571 WeakPolarHBondContact O-CB 3.44Å; C539-R571 WeakPolarHBondContact O-CG 3.04Å; C539-R571 PolarHBondContact O-N 3.41Å
540G84.7Confident85.4Confident1 Ų134.1 Ų34.11%0.0118%0.181CC..SBendtrans80.15-174.100000114D537 T542 N570D537-G540 PolarHBondContact O-N 3.47Å; D537-G540 VanDerWaalsContact O-N 3.09Å; D537-G540 PolarHBondContact OD1-N 3.4Å; D537-G540 VanDerWaalsContact OD1-N 3.13Å; G540-T542 PolarHBondContact O-N 3.49Å; G540-N570 WeakPolarHBondContact O-CA 3.24Å
541N89.1Confident86.9Confident18 Ų1828.5 Ų28.510%0.09616%0.156CC..  trans-73.3127.4179.3-47-50.6000108.7H511 E536 D537 C539 F545 L546 N570H511-N541 PolarHBondContact CD2-O 2.68Å; E536-N541 CarbonylContact C-O 3.43Å; E536-N541 WeakPolarHBondContact CA-O 3.36Å; D537-N541 PolarHBondContact N-O 3.01Å; D537-N541 WeakPolarHBondContact OD1-CB 3.34Å; D537-N541 PolarHBondContact OD1-N 2.9Å; D537-N541 PolarHBondContact OD1-ND2 3.49Å; D537-N541 WeakPolarHBondContact OD2-CB 3.37Å; D537-N541 PolarHBondContact OD2-ND2 3.43Å; C539-N541 VanDerWaalsContact C-N 3.29Å; N541-F545 HydrophobicContact CB-CB 4.11Å; N541-F545 HydrophobicContact CB-CD1 3.59Å; N541-F545 HydrophobicContact CB-CE1 4.26Å; N541-F545 HydrophobicContact CB-CG 4.02Å; N541-F545 WeakPolarHBondContact OD1-CD1 3.31Å; N541-F545 VanDerWaalsContact OD1-CE1 3.26Å; N541-F545 WeakPolarHBondContact OD1-CE1 3.44Å; N541-L546 HydrophobicContact CB-CD2 4.03Å; N541-L546 HydrophobicContact CB-CG 4.18Å; N541-N570 VanDerWaalsContact OD1-CB 3.27Å; N541-N570 WeakPolarHBondContact OD1-CB 3.36Å; N541-N570 PolarHBondContact OD1-ND2 3.11Å
542T90.8Very high88.2Confident5 Ų530.6 Ų30.63%0.03117%0.165CC..BIsolated β-bridgetrans-74.5164.6167.860.20000111.1V535 E536 G540 L544 F545 L546 A568V535-T542 WeakPolarHBondContact O-CA 3.42Å; E536-T542 HydrophobicContact CG-CG2 4.06Å; G540-T542 PolarHBondContact O-N 3.49Å; T542-L544 PolarHBondContact O-N 2.75Å; T542-L544 VanDerWaalsContact O-N 3.15Å; T542-L544 PolarHBondContact OG1-N 3.39Å; T542-F545 WeakPolarHBondContact O-CB 3.43Å; T542-F545 PolarHBondContact O-N 3.04Å; T542-F545 PolarHBondContact OG1-N 2.98Å; T542-L546 PolarHBondContact O-N 2.85Å; T542-L546 VanDerWaalsContact O-N 3.09Å; T542-A568 HydrophobicContact CG2-CB 3.79Å
543A90.2Very high88.8Confident0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-53.4-33.5168.500000112.2L510 A514 A547 L559L510-A543 HydrophobicContact CD2-CB 3.95Å; L510-A543 HydrophobicContact CG-CB 3.82Å; A514-A543 HydrophobicContact CB-CB 4.13Å; A514-A543 WeakPolarHBondContact CB-O 3.5Å; A543-A547 WeakPolarHBondContact O-CB 3.18Å; A543-A547 PolarHBondContact O-N 3.29Å; A543-L559 HydrophobicContact CB-CD1 4.04Å; A543-L559 HydrophobicContact CB-CD2 4.03Å; A543-L559 WeakPolarHBondContact O-CD1 3.39Å
544L93Very high89.3Confident2 Ų232.5 Ų32.51%0.0117%0.173CC..Hα-helixtrans-68.1-40.5175.7178.762.5000111.9T542 A547 A548 C556 L559 L560 A576 L592T542-L544 PolarHBondContact O-N 2.75Å; T542-L544 VanDerWaalsContact O-N 3.15Å; T542-L544 PolarHBondContact OG1-N 3.39Å; L544-A547 PolarHBondContact O-N 3.48Å; L544-A548 WeakPolarHBondContact O-CB 3.24Å; L544-A548 PolarHBondContact O-N 2.88Å; L544-C556 HydrophobicContact CD1-CB 4.11Å; L544-L559 HydrophobicContact CB-CB 4.43Å; L544-L559 HydrophobicContact CB-CD1 4.32Å; L544-L559 HydrophobicContact CD1-CB 4.18Å; L544-L560 HydrophobicContact CD1-CD1 4.17Å; L544-L560 HydrophobicContact CD1-CD2 4.34Å; L544-L560 HydrophobicContact CD1-CG 3.85Å; L544-L560 HydrophobicContact CD2-CD2 3.61Å; L544-L560 HydrophobicContact CD2-CG 4.04Å; L544-A576 HydrophobicContact CD2-CB 4.4Å; L544-A576 HydrophobicContact CG-CB 4.11Å; L544-L592 HydrophobicContact CD1-CD2 4.2Å; L544-L592 HydrophobicContact CD2-CD2 4.06Å; L544-L592 HydrophobicContact CG-CD2 4.31Å
545F92.9Very high89.7Confident11 Ų1130.4 Ų30.45%0.04816%0.162CC..Hα-helixtrans-60.6-46174.9-175.5-81000111.7N541 T542 A548 K549 N570 W574 V579N541-F545 HydrophobicContact CB-CB 4.11Å; N541-F545 HydrophobicContact CB-CD1 3.59Å; N541-F545 HydrophobicContact CB-CE1 4.26Å; N541-F545 HydrophobicContact CB-CG 4.02Å; N541-F545 WeakPolarHBondContact OD1-CD1 3.31Å; N541-F545 VanDerWaalsContact OD1-CE1 3.26Å; N541-F545 WeakPolarHBondContact OD1-CE1 3.44Å; T542-F545 WeakPolarHBondContact O-CB 3.43Å; T542-F545 PolarHBondContact O-N 3.04Å; T542-F545 PolarHBondContact OG1-N 2.98Å; F545-A548 PolarHBondContact O-N 2.98Å; F545-K549 PolarHBondContact O-N 3.4Å; F545-N570 HydrophobicContact CE2-CB 4.34Å; F545-W574 HydrophobicContact CE2-CB 3.62Å; F545-W574 VanDerWaalsContact CE2-O 3.31Å; F545-W574 WeakPolarHBondContact CE2-O 3.34Å; F545-W574 HydrophobicContact CZ-CB 3.97Å; F545-V579 HydrophobicContact CD1-CG1 4.32Å; F545-V579 HydrophobicContact CD2-CG1 3.92Å; F545-V579 HydrophobicContact CE1-CB 4.35Å; F545-V579 HydrophobicContact CE1-CG1 4.16Å; F545-V579 HydrophobicContact CE1-CG2 4.16Å; F545-V579 HydrophobicContact CE2-CB 3.84Å; F545-V579 HydrophobicContact CE2-CG1 3.72Å; F545-V579 HydrophobicContact CE2-CG2 4.45Å; F545-V579 HydrophobicContact CG-CG1 4.22Å; F545-V579 HydrophobicContact CZ-CB 3.75Å; F545-V579 HydrophobicContact CZ-CG1 3.86Å; F545-V579 HydrophobicContact CZ-CG2 3.85Å
546L91.9Very high90.1Very high13 Ų1328.5 Ų28.57%0.06815%0.15CC..Hα-helixtrans-65.4-46.4178.4-64.5-178.6000111.7H511 Q515 N541 T542 A548 K549 F550H511-L546 HydrophobicContact CB-CD1 3.72Å; Q515-L546 HydrophobicContact CB-CB 4.44Å; N541-L546 HydrophobicContact CB-CD2 4.03Å; N541-L546 HydrophobicContact CB-CG 4.18Å; T542-L546 PolarHBondContact O-N 2.85Å; T542-L546 VanDerWaalsContact O-N 3.09Å; L546-A548 PolarHBondContact O-N 2.81Å; L546-K549 PolarHBondContact O-N 3.47Å; L546-F550 VanDerWaalsContact O-CD2 3.29Å; L546-F550 WeakPolarHBondContact O-CD2 3.24Å; L546-F550 PolarHBondContact O-N 2.89Å; L546-F550 VanDerWaalsContact O-N 3.17Å
547A93.7Very high90.4Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-56.7-37.1173.500000112.1A514 A543 L544 G551 H552 V555 L559A514-A547 HydrophobicContact CB-CB 4.27Å; A543-A547 WeakPolarHBondContact O-CB 3.18Å; A543-A547 PolarHBondContact O-N 3.29Å; L544-A547 PolarHBondContact O-N 3.48Å; A547-G551 PolarHBondContact O-N 3.27Å; A547-H552 HydrophobicContact CB-CB 4.46Å; A547-H552 PolarHBondContact O-N 3.06Å; A547-V555 HydrophobicContact CB-CB 4.11Å; A547-V555 HydrophobicContact CB-CG1 3.53Å; A547-L559 HydrophobicContact CB-CD1 4.04Å
548A94.4Very high90.6Very high0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-72.7-38.9178.600000113.6L544 F545 L546 F550 G551 A576 V579 A580 H585 V588 L592L544-A548 WeakPolarHBondContact O-CB 3.24Å; L544-A548 PolarHBondContact O-N 2.88Å; F545-A548 PolarHBondContact O-N 2.98Å; L546-A548 PolarHBondContact O-N 2.81Å; A548-F550 VanDerWaalsContact C-N 3.31Å; A548-F550 PolarHBondContact O-N 2.93Å; A548-G551 PolarHBondContact O-N 3.48Å; A548-A576 HydrophobicContact CB-CB 4.08Å; A548-V579 HydrophobicContact CB-CG1 4.15Å; A548-A580 HydrophobicContact CB-CB 4.24Å; A548-H585 PolarHBondContact O-CD2 2.8Å; A548-H585 VanDerWaalsContact O-CD2 3.27Å; A548-V588 HydrophobicContact CB-CG1 4Å; A548-L592 HydrophobicContact CB-CD1 4.33Å
549K93.3Very high91Very high48 Ų4827.5 Ų27.521%0.20914%0.139CC..Hα-helixtrans-63.5-34.8175.3-178.4162-179.8151.40112.6F545 L546 V579 S583 H585 D1150F545-K549 PolarHBondContact O-N 3.4Å; L546-K549 PolarHBondContact O-N 3.47Å; K549-V579 HydrophobicContact CB-CG1 4.15Å; K549-V579 HydrophobicContact CB-CG2 3.71Å; K549-V579 HydrophobicContact CD-CG2 3.86Å; K549-V579 HydrophobicContact CG-CG2 3.77Å; K549-S583 PolarHBondContact O-OG 3.48Å; K549-H585 PolarHBondContact O-CD2 2.92Å; K549-H585 PolarHBondContact O-NE2 2.71Å; K549-D1150 IonicContact NZ-OD1 3.19Å; K549-D1150 PolarHBondContact NZ-OD1 3.29Å; K549-D1150 IonicContact NZ-OD2 3.75Å; K549-D1150 PolarHBondContact NZ-OD2 2.9Å
550F92.7Very high91.4Very high86 Ų8626.2 Ų26.238%0.37713%0.129SC..THydrogen-bonded Turntrans-993.4179.9-63.8-73.9000114.6Q515 L546 A548 H552 H585Q515-F550 HydrophobicContact CB-CD2 4.23Å; Q515-F550 HydrophobicContact CB-CE2 4.27Å; Q515-F550 HydrophobicContact CG-CD2 3.84Å; Q515-F550 HydrophobicContact CG-CE2 3.6Å; Q515-F550 HydrophobicContact CG-CZ 4.21Å; L546-F550 VanDerWaalsContact O-CD2 3.29Å; L546-F550 WeakPolarHBondContact O-CD2 3.24Å; L546-F550 PolarHBondContact O-N 2.89Å; L546-F550 VanDerWaalsContact O-N 3.17Å; A548-F550 VanDerWaalsContact C-N 3.31Å; A548-F550 PolarHBondContact O-N 2.93Å; F550-H552 WeakPolarHBondContact CB-NE2 3.42Å; F550-H585 WeakPolarHBondContact CA-NE2 3.4Å
551G93Very high91.5Very high21 Ų2134.5 Ų34.522%0.21617%0.165CC..THydrogen-bonded Turntrans8212.8169.500000116.2A547 A548 A553 H585A547-G551 PolarHBondContact O-N 3.27Å; A548-G551 PolarHBondContact O-N 3.48Å; G551-A553 VanDerWaalsContact C-N 3.31Å; G551-A553 PolarHBondContact O-N 2.92Å; G551-H585 VanDerWaalsContact CA-CD2 3.45Å; G551-H585 WeakPolarHBondContact CA-CD2 3.39Å; G551-H585 PolarHBondContact N-CD2 3.29Å
552H94.3Very high91.1Very high55 Ų5535.4 Ų35.426%0.25517%0.174SC..  trans-77.471.6-170.1-63.2-57.4000113A514 Q515 G517 A547 F550 D554 V555 C556A514-H552 PolarHBondContact O-CD2 2.93Å; Q515-H552 PolarHBondContact O-CD2 3.49Å; Q515-H552 PolarHBondContact O-NE2 3.45Å; G517-H552 VanDerWaalsContact CA-CG 3.45Å; G517-H552 WeakPolarHBondContact CA-ND1 3.37Å; G517-H552 PolarHBondContact N-NE2 2.96Å; A547-H552 HydrophobicContact CB-CB 4.46Å; A547-H552 PolarHBondContact O-N 3.06Å; F550-H552 WeakPolarHBondContact CB-NE2 3.42Å; H552-D554 VanDerWaalsContact C-N 3.29Å; H552-D554 PolarHBondContact O-N 3Å; H552-D554 VanDerWaalsContact O-N 3.13Å; H552-V555 HydrophobicContact CB-CB 3.92Å; H552-V555 HydrophobicContact CB-CG2 4.13Å; H552-V555 WeakPolarHBondContact O-CA 3.41Å; H552-V555 WeakPolarHBondContact O-CB 3.32Å; H552-V555 PolarHBondContact O-N 2.66Å; H552-C556 PolarHBondContact O-N 2.94Å; H552-C556 PolarHBondContact O-SG 3.26Å
553A92.3Very high90.3Very high19 Ų1936 Ų3616%0.15718%0.179CC..Hα-helixtrans-53.2-37.5-172.100000114.8G551 C556 R557 V588G551-A553 VanDerWaalsContact C-N 3.31Å; G551-A553 PolarHBondContact O-N 2.92Å; A553-C556 PolarHBondContact O-N 3.46Å; A553-R557 WeakPolarHBondContact O-CB 3.11Å; A553-R557 VanDerWaalsContact O-CG 3.26Å; A553-R557 WeakPolarHBondContact O-CG 3.31Å; A553-R557 PolarHBondContact O-N 3.1Å; A553-V588 HydrophobicContact CB-CG2 4.08Å
554D91.2Very high89.3Confident92 Ų9244.5 Ų44.549%0.49222%0.218SC..Hα-helixtrans-77.7-17.9177.2-71.2-38.5000114.2H552 R557 Q558H552-D554 VanDerWaalsContact C-N 3.29Å; H552-D554 PolarHBondContact O-N 3Å; H552-D554 VanDerWaalsContact O-N 3.13Å; D554-R557 VanDerWaalsContact OD1-CD 3.3Å; D554-R557 WeakPolarHBondContact OD1-CD 3.33Å; D554-R557 IonicContact OD1-CZ 3.11Å; D554-R557 IonicContact OD1-NE 3.69Å; D554-R557 IonicContact OD1-NH1 2.73Å; D554-R557 PolarHBondContact OD1-NH1 3.45Å; D554-Q558 WeakPolarHBondContact O-CG 3.48Å; D554-Q558 PolarHBondContact O-NE2 2.91Å
555V91Very high88.8Confident1 Ų148 Ų481%0.00624%0.237CC..Hα-helixtrans-78-46.9165.3170.80000109.6A514 V522 A547 H552 R557 Q558 L559A514-V555 HydrophobicContact CB-CG1 4.04Å; V522-V555 HydrophobicContact CG1-CG1 4.29Å; V522-V555 HydrophobicContact CG2-CG1 3.95Å; V522-V555 HydrophobicContact CG2-CG2 4.32Å; A547-V555 HydrophobicContact CB-CB 4.11Å; A547-V555 HydrophobicContact CB-CG1 3.53Å; H552-V555 HydrophobicContact CB-CB 3.92Å; H552-V555 HydrophobicContact CB-CG2 4.13Å; H552-V555 WeakPolarHBondContact O-CA 3.41Å; H552-V555 WeakPolarHBondContact O-CB 3.32Å; H552-V555 PolarHBondContact O-N 2.66Å; V555-R557 VanDerWaalsContact C-N 3.26Å; V555-R557 PolarHBondContact O-N 3.32Å; V555-Q558 PolarHBondContact O-N 3.11Å; V555-L559 HydrophobicContact CG1-CD1 3.58Å; V555-L559 HydrophobicContact CG1-CG 4.16Å; V555-L559 WeakPolarHBondContact O-CG 3.3Å; V555-L559 PolarHBondContact O-N 3.42Å
556C92.3Very high88.5Confident0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-54.8-41.6174.6-600000111.7L544 H552 A553 Q558 L559 L560 L591L544-C556 HydrophobicContact CD1-CB 4.11Å; H552-C556 PolarHBondContact O-N 2.94Å; H552-C556 PolarHBondContact O-SG 3.26Å; A553-C556 PolarHBondContact O-N 3.46Å; C556-Q558 VanDerWaalsContact C-N 3.27Å; C556-Q558 PolarHBondContact O-N 3.07Å; C556-L559 PolarHBondContact O-N 3.41Å; C556-L560 HydrophobicContact CB-CD1 4.48Å; C556-L560 VanDerWaalsContact O-CB 3.27Å; C556-L560 WeakPolarHBondContact O-CB 3.45Å; C556-L560 WeakPolarHBondContact O-CD1 3.33Å; C556-L560 WeakPolarHBondContact O-CG 3.37Å; C556-L560 PolarHBondContact O-N 3.49Å; C556-L591 HydrophobicContact CB-CD2 4.2Å
557R91.9Very high88.4Confident126 Ų12649.5 Ų49.548%0.47525%0.247SC..Hα-helixtrans-59.8-29.7174.1-79.2169.2-177.2-177.6-4115.1A553 D554 V555 K561 L591A553-R557 WeakPolarHBondContact O-CB 3.11Å; A553-R557 VanDerWaalsContact O-CG 3.26Å; A553-R557 WeakPolarHBondContact O-CG 3.31Å; A553-R557 PolarHBondContact O-N 3.1Å; D554-R557 VanDerWaalsContact OD1-CD 3.3Å; D554-R557 WeakPolarHBondContact OD1-CD 3.33Å; D554-R557 IonicContact OD1-CZ 3.11Å; D554-R557 IonicContact OD1-NE 3.69Å; D554-R557 IonicContact OD1-NH1 2.73Å; D554-R557 PolarHBondContact OD1-NH1 3.45Å; V555-R557 VanDerWaalsContact C-N 3.26Å; V555-R557 PolarHBondContact O-N 3.32Å; R557-K561 WeakPolarHBondContact O-CD 3.24Å; R557-K561 WeakPolarHBondContact O-CG 3.39Å; R557-L591 HydrophobicContact CG-CD1 3.39Å; R557-L591 HydrophobicContact CG-CD2 3.98Å; R557-L591 HydrophobicContact CG-CG 4.28Å
558Q87.8Confident88.1Confident34 Ų3450.2 Ų50.216%0.15925%0.252CS..Hα-helixtrans-88-39.9179.7-71.2-179.996.500110.7S519 R523 L526 D554 V555 C556 K561S519-Q558 PolarHBondContact O-NE2 2.83Å; S519-Q558 VanDerWaalsContact O-NE2 3.11Å; S519-Q558 PolarHBondContact O-OE1 3.31Å; R523-Q558 VanDerWaalsContact CZ-OE1 3.29Å; L526-Q558 HydrophobicContact CD1-CB 4.42Å; D554-Q558 WeakPolarHBondContact O-CG 3.48Å; D554-Q558 PolarHBondContact O-NE2 2.91Å; V555-Q558 PolarHBondContact O-N 3.11Å; C556-Q558 VanDerWaalsContact C-N 3.27Å; C556-Q558 PolarHBondContact O-N 3.07Å; Q558-K561 PolarHBondContact O-N 3.28Å
559L89.8Confident87.9Confident1 Ų153.2 Ų53.21%0.00527%0.271CS..Hα-helixtrans-64.3-47.2174.8-67.2170.2000111.5L510 A514 V522 L526 A543 L544 A547 V555 C556 K561 A562 S563L510-L559 HydrophobicContact CD1-CD2 4.33Å; A514-L559 HydrophobicContact CB-CD1 4.37Å; V522-L559 HydrophobicContact CG1-CD2 3.99Å; V522-L559 HydrophobicContact CG1-CG 4.17Å; L526-L559 HydrophobicContact CD1-CD2 4.22Å; L526-L559 HydrophobicContact CD2-CD2 4.31Å; A543-L559 HydrophobicContact CB-CD1 4.04Å; A543-L559 HydrophobicContact CB-CD2 4.03Å; A543-L559 WeakPolarHBondContact O-CD1 3.39Å; L544-L559 HydrophobicContact CB-CB 4.43Å; L544-L559 HydrophobicContact CB-CD1 4.32Å; L544-L559 HydrophobicContact CD1-CB 4.18Å; A547-L559 HydrophobicContact CB-CD1 4.04Å; V555-L559 HydrophobicContact CG1-CD1 3.58Å; V555-L559 HydrophobicContact CG1-CG 4.16Å; V555-L559 WeakPolarHBondContact O-CG 3.3Å; V555-L559 PolarHBondContact O-N 3.42Å; C556-L559 PolarHBondContact O-N 3.41Å; L559-K561 PolarHBondContact O-N 2.8Å; L559-A562 PolarHBondContact O-N 3.32Å; L559-S563 WeakPolarHBondContact O-CB 3.16Å; L559-S563 PolarHBondContact O-N 2.98Å
560L89.6Confident87.6Confident18 Ų1851.5 Ų51.59%0.09426%0.264CS..THydrogen-bonded Turntrans-67.7-4.3177.6-73161.8000115L544 C556 A566 L591 L592 H595L544-L560 HydrophobicContact CD1-CD1 4.17Å; L544-L560 HydrophobicContact CD1-CD2 4.34Å; L544-L560 HydrophobicContact CD1-CG 3.85Å; L544-L560 HydrophobicContact CD2-CD2 3.61Å; L544-L560 HydrophobicContact CD2-CG 4.04Å; C556-L560 HydrophobicContact CB-CD1 4.48Å; C556-L560 VanDerWaalsContact O-CB 3.27Å; C556-L560 WeakPolarHBondContact O-CB 3.45Å; C556-L560 WeakPolarHBondContact O-CD1 3.33Å; C556-L560 WeakPolarHBondContact O-CG 3.37Å; C556-L560 PolarHBondContact O-N 3.49Å; L560-A566 HydrophobicContact CD2-CB 3.73Å; L560-L591 HydrophobicContact CD1-CD2 3.51Å; L560-L592 HydrophobicContact CD1-CD2 3.94Å; L560-L592 HydrophobicContact CD1-CG 4.47Å; L560-L592 HydrophobicContact CD2-CD2 4.24Å; L560-H595 HydrophobicContact CB-CB 4.25Å; L560-H595 HydrophobicContact CD1-CB 4.15Å; L560-H595 HydrophobicContact CD2-CB 3.99Å; L560-H595 HydrophobicContact CG-CB 4.37Å
561K86.3Confident87.3Confident175 Ų17555.8 Ų55.876%0.76128%0.277SS*.THydrogen-bonded Turntrans-94-9.5170.1-77.6179.9176.7-170.30113.6R557 Q558 L559R557-K561 WeakPolarHBondContact O-CD 3.24Å; R557-K561 WeakPolarHBondContact O-CG 3.39Å; Q558-K561 PolarHBondContact O-N 3.28Å; L559-K561 PolarHBondContact O-N 2.8Å
562A80.9Confident86.8Confident36 Ų3658.7 Ų58.730%0.29829%0.288SS..THydrogen-bonded Turntrans-122.5-35.2-179.200000112.2L526 P533 L559 H564L526-A562 HydrophobicContact CD1-CB 4.5Å; L526-A562 HydrophobicContact CD2-CB 4.18Å; P533-A562 HydrophobicContact CB-CB 4.01Å; P533-A562 VanDerWaalsContact CG-C 3.42Å; P533-A562 HydrophobicContact CG-CB 3.87Å; P533-A562 VanDerWaalsContact CG-O 3.32Å; P533-A562 WeakPolarHBondContact CG-O 3.17Å; L559-A562 PolarHBondContact O-N 3.32Å; A562-H564 PolarHBondContact O-CE1 2.82Å; A562-H564 PolarHBondContact O-ND1 3.39Å; A562-H564 VanDerWaalsContact O-ND1 3.12Å
563S74Confident86.4Confident18 Ų1856.9 Ų56.913%0.12628%0.284CS..  trans-63.7137.3174.4172.30000111.1D534 L559 N565D534-S563 WeakPolarHBondContact OD1-CA 3.41Å; D534-S563 WeakPolarHBondContact OD1-CB 3.2Å; D534-S563 PolarHBondContact OD1-OG 2.88Å; D534-S563 WeakPolarHBondContact OD2-CA 3.46Å; L559-S563 WeakPolarHBondContact O-CB 3.16Å; L559-S563 PolarHBondContact O-N 2.98Å; S563-N565 PolarHBondContact OG-N 3.25Å
564H68Low86.3Confident178 Ų17857 Ų5782%0.82428%0.28SS*.SBendtrans-97.6-6175.6-64.868.1000112.4D534 A562D534-H564 PolarHBondContact OD2-N 2.81Å; D534-H564 IonicContact OD2-ND1 2.84Å; A562-H564 PolarHBondContact O-CE1 2.82Å; A562-H564 PolarHBondContact O-ND1 3.39Å; A562-H564 VanDerWaalsContact O-ND1 3.12Å
565N84.2Confident86.3Confident75 Ų7552.7 Ų52.740%0.40126%0.258SS..  trans-137.485.2-174.8-171.210000113.8S563 N567 A568S563-N565 PolarHBondContact OG-N 3.25Å; N565-N567 PolarHBondContact O-N 2.94Å; N565-N567 VanDerWaalsContact O-N 3.08Å; N565-N567 VanDerWaalsContact OD1-C 3.31Å; N565-N567 WeakPolarHBondContact OD1-CA 3.33Å; N565-N567 WeakPolarHBondContact OD1-CB 3.4Å; N565-N567 PolarHBondContact OD1-N 3.2Å; N565-A568 PolarHBondContact O-N 3.33Å; N565-A568 PolarHBondContact OD1-N 3.2Å
566A86.2Confident86.4Confident9 Ų952.7 Ų52.77%0.07426%0.258CS..THydrogen-bonded Turntrans-61.8-12.2170.200000114.2L560 A597L560-A566 HydrophobicContact CD2-CB 3.73Å; A566-A597 HydrophobicContact CB-CB 4.31Å
567N89.8Confident86.6Confident48 Ų4852.8 Ų52.826%0.25726%0.258SS..THydrogen-bonded Turntrans-106.514.5-177-63-56.4000113.4N565 V569 G596 A597 S598N565-N567 PolarHBondContact O-N 2.94Å; N565-N567 VanDerWaalsContact O-N 3.08Å; N565-N567 VanDerWaalsContact OD1-C 3.31Å; N565-N567 WeakPolarHBondContact OD1-CA 3.33Å; N565-N567 WeakPolarHBondContact OD1-CB 3.4Å; N565-N567 PolarHBondContact OD1-N 3.2Å; N567-V569 PolarHBondContact O-N 3.24Å; N567-G596 PolarHBondContact ND2-O 3.47Å; N567-A597 VanDerWaalsContact OD1-CA 3.32Å; N567-A597 WeakPolarHBondContact OD1-CA 3.48Å; N567-S598 PolarHBondContact OD1-N 3.43Å
568A87.5Confident86.7Confident14 Ų1447.1 Ų47.112%0.11624%0.237CC..  trans-55.7133.6172.700000111T542 N565T542-A568 HydrophobicContact CG2-CB 3.79Å; N565-A568 PolarHBondContact O-N 3.33Å; N565-A568 PolarHBondContact OD1-N 3.2Å
569V88.9Confident87Confident64 Ų6445.6 Ų45.639%0.38823%0.23SC..BIsolated β-bridgetrans-108.5141.3177-72.50000110.4N567 W574 T575N567-V569 PolarHBondContact O-N 3.24Å; V569-W574 VanDerWaalsContact CA-O 3.31Å; V569-W574 WeakPolarHBondContact CA-O 3.36Å; V569-T575 HydrophobicContact CG1-CG2 3.56Å
570N88.8Confident87.3Confident11 Ų1145.5 Ų45.56%0.05923%0.23CC..  trans-74.8178.1169.987.4-22.4000111.5G540 N541 F545 D572 G573 W574G540-N570 WeakPolarHBondContact O-CA 3.24Å; N541-N570 VanDerWaalsContact OD1-CB 3.27Å; N541-N570 WeakPolarHBondContact OD1-CB 3.36Å; N541-N570 PolarHBondContact OD1-ND2 3.11Å; F545-N570 HydrophobicContact CE2-CB 4.34Å; N570-D572 PolarHBondContact ND2-OD2 3.36Å; N570-D572 PolarHBondContact O-N 3.48Å; N570-D572 VanDerWaalsContact O-N 3.11Å; N570-D572 WeakPolarHBondContact OD1-CA 3.4Å; N570-D572 WeakPolarHBondContact OD1-CB 3.41Å; N570-D572 PolarHBondContact OD1-N 2.67Å; N570-G573 PolarHBondContact O-N 3.34Å; N570-G573 PolarHBondContact OD1-N 3.05Å; N570-W574 PolarHBondContact N-O 3.45Å; N570-W574 PolarHBondContact OD1-N 3.02Å
571R85.9Confident87.6Confident176 Ų17644.7 Ų44.766%0.66423%0.225SC*.THydrogen-bonded Turntrans-60.3-22.9-179.7-70.9178.7-174.5-176.85.2114E538 C539 G573E538-R571 PolarHBondContact O-NE 2.82Å; E538-R571 PolarHBondContact O-NH1 3.49Å; E538-R571 PolarHBondContact O-NH2 2.86Å; C539-R571 VanDerWaalsContact O-CB 3.3Å; C539-R571 WeakPolarHBondContact O-CB 3.44Å; C539-R571 WeakPolarHBondContact O-CG 3.04Å; C539-R571 PolarHBondContact O-N 3.41Å; R571-G573 VanDerWaalsContact C-N 3.3Å
572D82.4Confident88Confident83 Ų8338.8 Ų38.844%0.44420%0.2SC..THydrogen-bonded Turntrans-88.84.4176.2-42.6-60.1000113.1N570 F1148N570-D572 PolarHBondContact ND2-OD2 3.36Å; N570-D572 PolarHBondContact O-N 3.48Å; N570-D572 VanDerWaalsContact O-N 3.11Å; N570-D572 WeakPolarHBondContact OD1-CA 3.4Å; N570-D572 WeakPolarHBondContact OD1-CB 3.41Å; N570-D572 PolarHBondContact OD1-N 2.67Å; D572-F1148 HydrophobicContact CB-CE1 3.48Å; D572-F1148 VanDerWaalsContact CB-CE1 3.48Å; D572-F1148 HydrophobicContact CB-CZ 3.76Å
573G85.7Confident88.5Confident16 Ų1638.5 Ų38.517%0.16520%0.196CC..SBendtrans76.818.3-179.500000114.9N570 R571 S603N570-G573 PolarHBondContact O-N 3.34Å; N570-G573 PolarHBondContact OD1-N 3.05Å; R571-G573 VanDerWaalsContact C-N 3.3Å; G573-S603 WeakPolarHBondContact O-CA 3.33Å; G573-S603 VanDerWaalsContact O-CB 3.3Å; G573-S603 WeakPolarHBondContact O-CB 3.44Å
574W90.1Very high89.5Confident21 Ų2138.6 Ų38.68%0.0820%0.2CC..  trans-89.3129.5177.1-71.865000111.7F545 V569 N570 R578 V579 H582 F1148F545-W574 HydrophobicContact CE2-CB 3.62Å; F545-W574 VanDerWaalsContact CE2-O 3.31Å; F545-W574 WeakPolarHBondContact CE2-O 3.34Å; F545-W574 HydrophobicContact CZ-CB 3.97Å; V569-W574 VanDerWaalsContact CA-O 3.31Å; V569-W574 WeakPolarHBondContact CA-O 3.36Å; N570-W574 PolarHBondContact N-O 3.45Å; N570-W574 PolarHBondContact OD1-N 3.02Å; W574-R578 HydrophobicContact CD2-CG 4.31Å; W574-R578 HydrophobicContact CE3-CB 4.26Å; W574-R578 HydrophobicContact CE3-CG 3.61Å; W574-R578 HydrophobicContact CZ3-CG 3.88Å; W574-R578 VanDerWaalsContact NE1-NH2 3.1Å; W574-V579 HydrophobicContact CE3-CB 4.15Å; W574-V579 HydrophobicContact CE3-CG2 4.46Å; W574-H582 HydrophobicContact CH2-CB 4.14Å; W574-H582 AromaticContact CH2-CD2 3.69Å; W574-H582 AromaticContact CH2-CG 3.81Å; W574-H582 HydrophobicContact CZ3-CB 3.66Å; W574-H582 AromaticContact CZ3-CD2 3.97Å; W574-H582 AromaticContact CZ3-CG 3.86Å; W574-F1148 AromaticContact CD1-CE1 3.76Å; W574-F1148 AromaticContact CD1-CZ 3.9Å; W574-F1148 AromaticContact CE2-CE1 3.96Å; W574-F1148 HydrophobicContact CZ2-CD1 4.43Å; W574-F1148 HydrophobicContact CZ2-CE1 4.46Å; W574-F1148 AromaticContact NE1-CD1 3.77Å; W574-F1148 AromaticContact NE1-CE1 3.02Å; W574-F1148 AromaticContact NE1-CE2 3.9Å; W574-F1148 AromaticContact NE1-CZ 3.11Å
575T92.3Very high90.9Very high2 Ų233.9 Ų33.91%0.01218%0.178CC..BIsolated β-bridgetrans-80.9159.5168.256.60000112.3V569 L577 R578 V579 C601V569-T575 HydrophobicContact CG1-CG2 3.56Å; T575-L577 PolarHBondContact O-N 3.01Å; T575-R578 PolarHBondContact O-N 2.99Å; T575-R578 VanDerWaalsContact O-N 3.15Å; T575-R578 WeakPolarHBondContact OG1-CB 3.13Å; T575-R578 PolarHBondContact OG1-N 3.47Å; T575-V579 PolarHBondContact O-N 3.23Å; T575-C601 HydrophobicContact CG2-CB 4.02Å; T575-C601 VanDerWaalsContact CG2-SG 3.51Å
576A93.1Very high91.4Very high2 Ų231.2 Ų31.22%0.01717%0.167CC..Hα-helixtrans-53.8-35.3167.900000112.4L544 A548 V579 A580 L592L544-A576 HydrophobicContact CD2-CB 4.4Å; L544-A576 HydrophobicContact CG-CB 4.11Å; A548-A576 HydrophobicContact CB-CB 4.08Å; A576-V579 WeakPolarHBondContact O-CG1 3.38Å; A576-A580 WeakPolarHBondContact O-CB 3.4Å; A576-A580 PolarHBondContact O-N 2.74Å; A576-A580 VanDerWaalsContact O-N 3.1Å; A576-L592 HydrophobicContact CB-CD1 4.17Å; A576-L592 HydrophobicContact CB-CD2 4.06Å; A576-L592 WeakPolarHBondContact O-CD1 3.18Å
577L95.5Very high91.8Very high1 Ų137.7 Ų37.71%0.00520%0.199CC..Hα-helixtrans-66.6-46.9176.3-177.265.8000111.9T575 A580 A581 V589 L592 L593 A597 S598 A609 L625T575-L577 PolarHBondContact O-N 3.01Å; L577-A580 PolarHBondContact O-N 2.85Å; L577-A581 VanDerWaalsContact O-CB 3.25Å; L577-A581 WeakPolarHBondContact O-CB 3.48Å; L577-A581 PolarHBondContact O-N 3.28Å; L577-V589 HydrophobicContact CD1-CB 4.47Å; L577-V589 HydrophobicContact CD1-CG1 3.93Å; L577-L592 HydrophobicContact CB-CD1 4.4Å; L577-L592 HydrophobicContact CD1-CB 4.05Å; L577-L592 HydrophobicContact CD1-CD1 4.43Å; L577-L593 HydrophobicContact CD1-CD1 4.38Å; L577-L593 HydrophobicContact CD1-CD2 4.12Å; L577-L593 HydrophobicContact CD1-CG 3.88Å; L577-L593 HydrophobicContact CD2-CD2 3.8Å; L577-L593 HydrophobicContact CD2-CG 4.48Å; L577-A597 HydrophobicContact CB-CB 4.35Å; L577-A597 HydrophobicContact CD2-CB 4.27Å; L577-S598 WeakPolarHBondContact CD2-O 3.1Å; L577-A609 HydrophobicContact CD2-CB 4.14Å; L577-A609 HydrophobicContact CG-CB 3.94Å; L577-L625 HydrophobicContact CD1-CD2 4.2Å; L577-L625 HydrophobicContact CD2-CD2 4.16Å; L577-L625 HydrophobicContact CG-CD2 4.3Å
578R94.2Very high92.1Very high7 Ų735.4 Ų35.43%0.02619%0.187CC..Hα-helixtrans-66.5-38-179.6-178.7177.1146.5179.8-11.6112.4W574 T575 A581 H582 S603 R607 A609 A612W574-R578 HydrophobicContact CD2-CG 4.31Å; W574-R578 HydrophobicContact CE3-CB 4.26Å; W574-R578 HydrophobicContact CE3-CG 3.61Å; W574-R578 HydrophobicContact CZ3-CG 3.88Å; W574-R578 VanDerWaalsContact NE1-NH2 3.1Å; T575-R578 PolarHBondContact O-N 2.99Å; T575-R578 VanDerWaalsContact O-N 3.15Å; T575-R578 WeakPolarHBondContact OG1-CB 3.13Å; T575-R578 PolarHBondContact OG1-N 3.47Å; R578-A581 PolarHBondContact O-N 3.14Å; R578-H582 WeakPolarHBondContact O-CB 3.43Å; R578-H582 PolarHBondContact O-N 3.06Å; R578-S603 PolarHBondContact NH1-OG 3.4Å; R578-R607 PolarHBondContact NH1-O 3.09Å; R578-A609 HydrophobicContact CB-CB 4.22Å; R578-A612 HydrophobicContact CG-CB 3.71Å
579V93.9Very high92.5Very high2 Ų234.8 Ų34.81%0.01218%0.182CC..Hα-helixtrans-71.5-41176.977.20000111.8F545 A548 K549 W574 T575 A576 A581 H582 S583F545-V579 HydrophobicContact CD1-CG1 4.32Å; F545-V579 HydrophobicContact CD2-CG1 3.92Å; F545-V579 HydrophobicContact CE1-CB 4.35Å; F545-V579 HydrophobicContact CE1-CG1 4.16Å; F545-V579 HydrophobicContact CE1-CG2 4.16Å; F545-V579 HydrophobicContact CE2-CB 3.84Å; F545-V579 HydrophobicContact CE2-CG1 3.72Å; F545-V579 HydrophobicContact CE2-CG2 4.45Å; F545-V579 HydrophobicContact CG-CG1 4.22Å; F545-V579 HydrophobicContact CZ-CB 3.75Å; F545-V579 HydrophobicContact CZ-CG1 3.86Å; F545-V579 HydrophobicContact CZ-CG2 3.85Å; A548-V579 HydrophobicContact CB-CG1 4.15Å; K549-V579 HydrophobicContact CB-CG1 4.15Å; K549-V579 HydrophobicContact CB-CG2 3.71Å; K549-V579 HydrophobicContact CD-CG2 3.86Å; K549-V579 HydrophobicContact CG-CG2 3.77Å; W574-V579 HydrophobicContact CE3-CB 4.15Å; W574-V579 HydrophobicContact CE3-CG2 4.46Å; T575-V579 PolarHBondContact O-N 3.23Å; A576-V579 WeakPolarHBondContact O-CG1 3.38Å; V579-A581 VanDerWaalsContact C-N 3.29Å; V579-A581 PolarHBondContact O-N 3.08Å; V579-H582 PolarHBondContact O-N 3.42Å; V579-S583 WeakPolarHBondContact O-CB 3.33Å; V579-S583 PolarHBondContact O-N 3.41Å; V579-S583 PolarHBondContact O-OG 3.14Å
580A95.9Very high92.8Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-60-39.5172.100000112.4A548 A576 L577 G584 H585 V588 V589 L592A548-A580 HydrophobicContact CB-CB 4.24Å; A576-A580 WeakPolarHBondContact O-CB 3.4Å; A576-A580 PolarHBondContact O-N 2.74Å; A576-A580 VanDerWaalsContact O-N 3.1Å; L577-A580 PolarHBondContact O-N 2.85Å; A580-G584 PolarHBondContact O-N 3.4Å; A580-G584 VanDerWaalsContact O-N 3.14Å; A580-H585 HydrophobicContact CB-CB 4.46Å; A580-H585 PolarHBondContact O-N 3.22Å; A580-V588 HydrophobicContact CB-CB 4.16Å; A580-V588 HydrophobicContact CB-CG1 3.83Å; A580-V589 HydrophobicContact CB-CG2 3.8Å; A580-L592 HydrophobicContact CB-CD1 4.16Å
581A96Very high93.1Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-65.2-42.317600000112.3L577 R578 V579 G584 V589 A609 A613 L625L577-A581 VanDerWaalsContact O-CB 3.25Å; L577-A581 WeakPolarHBondContact O-CB 3.48Å; L577-A581 PolarHBondContact O-N 3.28Å; R578-A581 PolarHBondContact O-N 3.14Å; V579-A581 VanDerWaalsContact C-N 3.29Å; V579-A581 PolarHBondContact O-N 3.08Å; A581-G584 PolarHBondContact O-N 2.75Å; A581-V589 HydrophobicContact CB-CG2 4.2Å; A581-A609 HydrophobicContact CB-CB 4.19Å; A581-A613 HydrophobicContact CB-CB 4.09Å; A581-L625 HydrophobicContact CB-CD1 4.08Å
582H93.8Very high93.5Very high51 Ų5125.7 Ų25.724%0.23615%0.15CC..Hα-helixtrans-73.2-28178.1-167.659.2000113.9W574 R578 V579 A612 Y618W574-H582 HydrophobicContact CH2-CB 4.14Å; W574-H582 AromaticContact CH2-CD2 3.69Å; W574-H582 AromaticContact CH2-CG 3.81Å; W574-H582 HydrophobicContact CZ3-CB 3.66Å; W574-H582 AromaticContact CZ3-CD2 3.97Å; W574-H582 AromaticContact CZ3-CG 3.86Å; R578-H582 WeakPolarHBondContact O-CB 3.43Å; R578-H582 PolarHBondContact O-N 3.06Å; V579-H582 PolarHBondContact O-N 3.42Å; H582-A612 HydrophobicContact CB-CB 4.16Å; H582-A612 PolarHBondContact ND1-O 3.28Å; H582-A612 VanDerWaalsContact ND1-O 3.17Å; H582-Y618 VanDerWaalsContact O-CE2 3.26Å; H582-Y618 WeakPolarHBondContact O-CE2 3.21Å
583S93.3Very high94Very high30 Ų3023.1 Ų23.121%0.2114%0.137CC..THydrogen-bonded Turntrans-90.61.5175.4-590000113.8K549 V579 H585K549-S583 PolarHBondContact O-OG 3.48Å; V579-S583 WeakPolarHBondContact O-CB 3.33Å; V579-S583 PolarHBondContact O-N 3.41Å; V579-S583 PolarHBondContact O-OG 3.14Å; S583-H585 VanDerWaalsContact CB-CD2 3.4Å; S583-H585 WeakPolarHBondContact CB-CD2 3.49Å; S583-H585 VanDerWaalsContact CB-NE2 3.28Å; S583-H585 WeakPolarHBondContact CB-NE2 3.46Å
584G94.5Very high94.3Very high21 Ų2132.9 Ų32.922%0.21617%0.168CC..THydrogen-bonded Turntrans79.612.117400000115.8A580 A581 A586 C621A580-G584 PolarHBondContact O-N 3.4Å; A580-G584 VanDerWaalsContact O-N 3.14Å; A581-G584 PolarHBondContact O-N 2.75Å; G584-A586 VanDerWaalsContact C-N 3.27Å; G584-A586 PolarHBondContact O-N 2.86Å; G584-C621 VanDerWaalsContact C-SG 3.59Å
585H96.1Very high94.3Very high78 Ų7835.5 Ų35.536%0.36118%0.181SC..  trans-81.866.1-172.4-62.2-50.8000112.3A548 K549 F550 G551 A580 S583 L587 V588 V589A548-H585 PolarHBondContact O-CD2 2.8Å; A548-H585 VanDerWaalsContact O-CD2 3.27Å; K549-H585 PolarHBondContact O-CD2 2.92Å; K549-H585 PolarHBondContact O-NE2 2.71Å; F550-H585 WeakPolarHBondContact CA-NE2 3.4Å; G551-H585 VanDerWaalsContact CA-CD2 3.45Å; G551-H585 WeakPolarHBondContact CA-CD2 3.39Å; G551-H585 PolarHBondContact N-CD2 3.29Å; A580-H585 HydrophobicContact CB-CB 4.46Å; A580-H585 PolarHBondContact O-N 3.22Å; S583-H585 VanDerWaalsContact CB-CD2 3.4Å; S583-H585 WeakPolarHBondContact CB-CD2 3.49Å; S583-H585 VanDerWaalsContact CB-NE2 3.28Å; S583-H585 WeakPolarHBondContact CB-NE2 3.46Å; H585-L587 PolarHBondContact O-N 3.2Å; H585-L587 VanDerWaalsContact O-N 3.1Å; H585-V588 HydrophobicContact CB-CB 4.05Å; H585-V588 HydrophobicContact CB-CG2 4.1Å; H585-V588 WeakPolarHBondContact O-CA 3.5Å; H585-V588 WeakPolarHBondContact O-CB 3.38Å; H585-V588 PolarHBondContact O-N 2.73Å; H585-V589 PolarHBondContact O-N 2.86Å
586A95.1Very high94Very high20 Ų2038 Ų3817%0.16521%0.207CC..Hα-helixtrans-50.3-38.1-174.800000114.6G584 V588 V589 A590 Q620 I624G584-A586 VanDerWaalsContact C-N 3.27Å; G584-A586 PolarHBondContact O-N 2.86Å; A586-V588 VanDerWaalsContact C-N 3.33Å; A586-V588 PolarHBondContact O-N 2.87Å; A586-V589 PolarHBondContact O-N 3.47Å; A586-A590 PolarHBondContact O-N 3.46Å; A586-Q620 HydrophobicContact CB-CB 4.13Å; A586-Q620 HydrophobicContact CB-CG 3.67Å; A586-I624 HydrophobicContact CB-CD1 3.88Å; A586-I624 WeakPolarHBondContact O-CD1 3.14Å
587L95.2Very high94Very high144 Ų14438.2 Ų38.275%0.75421%0.209SC*.Hα-helixtrans-64.5-35.5175.2-69.5178.1000112.7H585 L591H585-L587 PolarHBondContact O-N 3.2Å; H585-L587 VanDerWaalsContact O-N 3.1Å; L587-L591 VanDerWaalsContact O-CB 3.24Å; L587-L591 WeakPolarHBondContact O-CB 3.48Å; L587-L591 PolarHBondContact O-N 3.42Å
588V95.3Very high93.9Very high1 Ų141.1 Ų41.11%0.00623%0.23CC..Hα-helixtrans-75.8-39.9175.8178.80000110.9A548 A553 A580 H585 A586 L591 L592A548-V588 HydrophobicContact CB-CG1 4Å; A553-V588 HydrophobicContact CB-CG2 4.08Å; A580-V588 HydrophobicContact CB-CB 4.16Å; A580-V588 HydrophobicContact CB-CG1 3.83Å; H585-V588 HydrophobicContact CB-CB 4.05Å; H585-V588 HydrophobicContact CB-CG2 4.1Å; H585-V588 WeakPolarHBondContact O-CA 3.5Å; H585-V588 WeakPolarHBondContact O-CB 3.38Å; H585-V588 PolarHBondContact O-N 2.73Å; A586-V588 VanDerWaalsContact C-N 3.33Å; A586-V588 PolarHBondContact O-N 2.87Å; V588-L591 PolarHBondContact O-N 3.11Å; V588-L591 VanDerWaalsContact O-N 3.09Å; V588-L592 HydrophobicContact CG1-CD1 3.72Å; V588-L592 HydrophobicContact CG1-CG 4.2Å; V588-L592 WeakPolarHBondContact O-CG 3.33Å; V588-L592 PolarHBondContact O-N 2.84Å
589V96.1Very high93.8Very high0 Ų041.8 Ų41.80%023%0.234CC..Hα-helixtrans-56.7-53.1175.3174.60000110.8L577 A580 A581 H585 A586 L591 L592 L593 I624 L625L577-V589 HydrophobicContact CD1-CB 4.47Å; L577-V589 HydrophobicContact CD1-CG1 3.93Å; A580-V589 HydrophobicContact CB-CG2 3.8Å; A581-V589 HydrophobicContact CB-CG2 4.2Å; H585-V589 PolarHBondContact O-N 2.86Å; A586-V589 PolarHBondContact O-N 3.47Å; V589-L591 PolarHBondContact O-N 3.08Å; V589-L592 PolarHBondContact O-N 3.49Å; V589-L593 HydrophobicContact CG1-CD1 3.94Å; V589-L593 WeakPolarHBondContact O-CD1 3.47Å; V589-L593 VanDerWaalsContact O-CG 3.3Å; V589-L593 WeakPolarHBondContact O-CG 3.2Å; V589-L593 PolarHBondContact O-N 3.42Å; V589-L593 VanDerWaalsContact O-N 3.16Å; V589-I624 HydrophobicContact CG1-CB 4.48Å; V589-I624 HydrophobicContact CG1-CG2 3.94Å; V589-L625 HydrophobicContact CG1-CD1 4.45Å; V589-L625 HydrophobicContact CG1-CD2 4Å; V589-L625 HydrophobicContact CG1-CG 3.93Å
590A95.8Very high93.7Very high43 Ų4343.5 Ų43.536%0.35524%0.243SC..Hα-helixtrans-59.2-32.5176.100000112.9A586 R594 I624A586-A590 PolarHBondContact O-N 3.46Å; A590-R594 WeakPolarHBondContact O-CB 3.16Å; A590-R594 PolarHBondContact O-N 3.19Å; A590-I624 HydrophobicContact CB-CD1 4.26Å; A590-I624 HydrophobicContact CB-CG2 3.92Å
591L94.1Very high93.4Very high17 Ų1745.1 Ų45.19%0.08925%0.254CS..Hα-helixtrans-77.8-40.7-177.1-162.8135.6000112.5C556 R557 L560 L587 V588 V589 R594 H595C556-L591 HydrophobicContact CB-CD2 4.2Å; R557-L591 HydrophobicContact CG-CD1 3.39Å; R557-L591 HydrophobicContact CG-CD2 3.98Å; R557-L591 HydrophobicContact CG-CG 4.28Å; L560-L591 HydrophobicContact CD1-CD2 3.51Å; L587-L591 VanDerWaalsContact O-CB 3.24Å; L587-L591 WeakPolarHBondContact O-CB 3.48Å; L587-L591 PolarHBondContact O-N 3.42Å; V588-L591 PolarHBondContact O-N 3.11Å; V588-L591 VanDerWaalsContact O-N 3.09Å; V589-L591 PolarHBondContact O-N 3.08Å; L591-R594 PolarHBondContact O-N 2.9Å; L591-H595 PolarHBondContact O-N 3.4Å; L591-H595 PolarHBondContact O-ND1 3.31Å
592L94Very high92.8Very high0 Ų047.5 Ų47.50%027%0.27CS..Hα-helixtrans-61.3-48173.6-77.7162.8000111L544 A548 L560 A576 L577 A580 V588 V589 R594 H595 G596 A597L544-L592 HydrophobicContact CD1-CD2 4.2Å; L544-L592 HydrophobicContact CD2-CD2 4.06Å; L544-L592 HydrophobicContact CG-CD2 4.31Å; A548-L592 HydrophobicContact CB-CD1 4.33Å; L560-L592 HydrophobicContact CD1-CD2 3.94Å; L560-L592 HydrophobicContact CD1-CG 4.47Å; L560-L592 HydrophobicContact CD2-CD2 4.24Å; A576-L592 HydrophobicContact CB-CD1 4.17Å; A576-L592 HydrophobicContact CB-CD2 4.06Å; A576-L592 WeakPolarHBondContact O-CD1 3.18Å; L577-L592 HydrophobicContact CB-CD1 4.4Å; L577-L592 HydrophobicContact CD1-CB 4.05Å; L577-L592 HydrophobicContact CD1-CD1 4.43Å; A580-L592 HydrophobicContact CB-CD1 4.16Å; V588-L592 HydrophobicContact CG1-CD1 3.72Å; V588-L592 HydrophobicContact CG1-CG 4.2Å; V588-L592 WeakPolarHBondContact O-CG 3.33Å; V588-L592 PolarHBondContact O-N 2.84Å; V589-L592 PolarHBondContact O-N 3.49Å; L592-R594 VanDerWaalsContact C-N 3.32Å; L592-R594 PolarHBondContact O-N 2.99Å; L592-H595 CarbonylContact O-C 3.55Å; L592-H595 PolarHBondContact O-N 2.91Å; L592-G596 PolarHBondContact O-N 3.03Å; L592-A597 HydrophobicContact CB-CB 3.88Å; L592-A597 VanDerWaalsContact O-CB 3.29Å; L592-A597 WeakPolarHBondContact O-CB 3.29Å; L592-A597 PolarHBondContact O-N 3.28Å; L592-A597 VanDerWaalsContact O-N 3.07Å
593L93.7Very high92.3Very high30 Ų3045.5 Ų45.516%0.15726%0.262CS..Hα-helixtrans-58-43.4176.8-66.9162.3000111.5L577 V589 H595 G596 V599 I624 L625 A628L577-L593 HydrophobicContact CD1-CD1 4.38Å; L577-L593 HydrophobicContact CD1-CD2 4.12Å; L577-L593 HydrophobicContact CD1-CG 3.88Å; L577-L593 HydrophobicContact CD2-CD2 3.8Å; L577-L593 HydrophobicContact CD2-CG 4.48Å; V589-L593 HydrophobicContact CG1-CD1 3.94Å; V589-L593 WeakPolarHBondContact O-CD1 3.47Å; V589-L593 VanDerWaalsContact O-CG 3.3Å; V589-L593 WeakPolarHBondContact O-CG 3.2Å; V589-L593 PolarHBondContact O-N 3.42Å; V589-L593 VanDerWaalsContact O-N 3.16Å; L593-H595 PolarHBondContact O-N 3.4Å; L593-G596 PolarHBondContact O-N 3.17Å; L593-G596 VanDerWaalsContact O-N 3.11Å; L593-V599 HydrophobicContact CD2-CB 3.97Å; L593-V599 HydrophobicContact CD2-CG2 4.04Å; L593-I624 HydrophobicContact CD1-CG2 3.73Å; L593-L625 HydrophobicContact CD1-CD2 4.16Å; L593-L625 HydrophobicContact CD2-CD2 4.47Å; L593-A628 HydrophobicContact CD1-CB 3.83Å; L593-A628 HydrophobicContact CD2-CB 3.99Å; L593-A628 HydrophobicContact CG-CB 4.36Å
594R92.3Very high91.8Very high221 Ų22149.1 Ų49.183%0.83429%0.294SS*.Hα-helixtrans-63.6-19.7176.1-176.1171178179.81.1114.1A590 L591 L592A590-R594 WeakPolarHBondContact O-CB 3.16Å; A590-R594 PolarHBondContact O-N 3.19Å; L591-R594 PolarHBondContact O-N 2.9Å; L592-R594 VanDerWaalsContact C-N 3.32Å; L592-R594 PolarHBondContact O-N 2.99Å
595H89Confident91.3Very high76 Ų7650.3 Ų50.335%0.35230%0.295SS..THydrogen-bonded Turntrans-106.524.4175.8-62.278.2000112.4L560 L591 L592 L593L560-H595 HydrophobicContact CB-CB 4.25Å; L560-H595 HydrophobicContact CD1-CB 4.15Å; L560-H595 HydrophobicContact CD2-CB 3.99Å; L560-H595 HydrophobicContact CG-CB 4.37Å; L591-H595 PolarHBondContact O-N 3.4Å; L591-H595 PolarHBondContact O-ND1 3.31Å; L592-H595 CarbonylContact O-C 3.55Å; L592-H595 PolarHBondContact O-N 2.91Å; L593-H595 PolarHBondContact O-N 3.4Å
596G88Confident90.9Very high53 Ų5347.3 Ų47.355%0.54629%0.285SS..THydrogen-bonded Turntrans84.319170.800000115.7N567 L592 L593 S598N567-G596 PolarHBondContact ND2-O 3.47Å; L592-G596 PolarHBondContact O-N 3.03Å; L593-G596 PolarHBondContact O-N 3.17Å; L593-G596 VanDerWaalsContact O-N 3.11Å; G596-S598 PolarHBondContact O-N 3.48Å
597A91.8Very high90.8Very high8 Ų848 Ų487%0.06628%0.283CS..  trans-64.1127.1165.600000110.1A566 N567 L577 L592 V599A566-A597 HydrophobicContact CB-CB 4.31Å; N567-A597 VanDerWaalsContact OD1-CA 3.32Å; N567-A597 WeakPolarHBondContact OD1-CA 3.48Å; L577-A597 HydrophobicContact CB-CB 4.35Å; L577-A597 HydrophobicContact CD2-CB 4.27Å; L592-A597 HydrophobicContact CB-CB 3.88Å; L592-A597 VanDerWaalsContact O-CB 3.29Å; L592-A597 WeakPolarHBondContact O-CB 3.29Å; L592-A597 PolarHBondContact O-N 3.28Å; L592-A597 VanDerWaalsContact O-N 3.07Å; A597-V599 PolarHBondContact O-N 2.91Å
598S92.9Very high90.7Very high62 Ų6241.1 Ų41.143%0.43425%0.248SC..  trans-73.1121.8178.7178.40000110N567 L577 G596 D600 C601N567-S598 PolarHBondContact OD1-N 3.43Å; L577-S598 WeakPolarHBondContact CD2-O 3.1Å; G596-S598 PolarHBondContact O-N 3.48Å; S598-D600 PolarHBondContact O-N 2.78Å; S598-C601 WeakPolarHBondContact O-CB 3.47Å; S598-C601 PolarHBondContact O-N 2.99Å
599V93.4Very high90.7Very high21 Ų2141.1 Ų41.113%0.12725%0.248CC..THydrogen-bonded Turntrans-64.3-39-167.966.90000113.3L593 A597 L625 A628 A630L593-V599 HydrophobicContact CD2-CB 3.97Å; L593-V599 HydrophobicContact CD2-CG2 4.04Å; A597-V599 PolarHBondContact O-N 2.91Å; V599-L625 HydrophobicContact CG2-CD2 3.93Å; V599-A628 HydrophobicContact CG2-CB 4.24Å; V599-A630 HydrophobicContact CG2-CB 3.57Å
600D91.9Very high90.7Very high38 Ų3841.1 Ų41.120%0.20325%0.248CC..THydrogen-bonded Turntrans-101.118.2-178.2-66.3-34.3000113.5S598 C602 T608 A630 S631S598-D600 PolarHBondContact O-N 2.78Å; D600-C602 PolarHBondContact O-N 3.29Å; D600-T608 HydrophobicContact CB-CG2 4.5Å; D600-A630 WeakPolarHBondContact OD1-CA 3.35Å; D600-S631 VanDerWaalsContact CG-N 3.28Å; D600-S631 PolarHBondContact OD1-N 2.92Å; D600-S631 WeakPolarHBondContact OD2-CB 3.29Å; D600-S631 PolarHBondContact OD2-N 3.46Å
601C88.3Confident90.7Very high33 Ų3340 Ų4022%0.22323%0.234CC..  trans-62.5121.6173.8-168.70000110.4T575 S598T575-C601 HydrophobicContact CG2-CB 4.02Å; T575-C601 VanDerWaalsContact CG2-SG 3.51Å; S598-C601 WeakPolarHBondContact O-CB 3.47Å; S598-C601 PolarHBondContact O-N 2.99Å
602C84.7Confident90.7Very high51 Ų5139.5 Ų39.535%0.34523%0.232SC..  trans-121.3159.2-170.762.60000112.6D600 R607 T608D600-C602 PolarHBondContact O-N 3.29Å; C602-R607 WeakPolarHBondContact CA-O 3.33Å; C602-T608 HydrophobicContact CB-CG2 4.13Å
603S82Confident90.9Very high8 Ų839.5 Ų39.56%0.05623%0.232CC..  trans-76.8176.6172.160.10000111.5G573 R578 D605 G606 R607G573-S603 WeakPolarHBondContact O-CA 3.33Å; G573-S603 VanDerWaalsContact O-CB 3.3Å; G573-S603 WeakPolarHBondContact O-CB 3.44Å; R578-S603 PolarHBondContact NH1-OG 3.4Å; S603-D605 PolarHBondContact O-N 3.36Å; S603-D605 VanDerWaalsContact O-N 3.09Å; S603-G606 PolarHBondContact O-N 2.9Å; S603-R607 PolarHBondContact N-O 3.35Å
604A83Confident91Very high106 Ų10638 Ų3888%0.87623%0.225SC*.THydrogen-bonded Turntrans-49.2-36.4170.200000113.2G606A604-G606 PolarHBondContact O-N 3.32Å; A604-G606 VanDerWaalsContact O-N 3.16Å
605D84.5Confident91.1Very high47 Ų4732.4 Ų32.425%0.25120%0.204SC..THydrogen-bonded Turntrans-68.23.6172.9-51-20.1000115.8S603 R607 D636 C637S603-D605 PolarHBondContact O-N 3.36Å; S603-D605 VanDerWaalsContact O-N 3.09Å; D605-R607 HydrophobicContact CB-CB 4.44Å; D605-R607 HydrophobicContact CB-CG 3.74Å; D605-R607 PolarHBondContact O-N 3.29Å; D605-R607 IonicContact OD2-CZ 3.26Å; D605-R607 VanDerWaalsContact OD2-CZ 3.3Å; D605-R607 IonicContact OD2-NE 3.34Å; D605-R607 IonicContact OD2-NH1 2.67Å; D605-R607 PolarHBondContact OD2-NH1 3.12Å; D605-D636 CarbonylContact O-C 3.53Å; D605-D636 WeakPolarHBondContact O-CA 3.18Å; D605-D636 WeakPolarHBondContact O-CB 3.25Å; D605-C637 PolarHBondContact O-N 2.87Å
606G88.8Confident91.3Very high14 Ų1430.2 Ų30.214%0.14420%0.199CC..  trans67.810.5-173.300000115.2S603 A604 T608 H634S603-G606 PolarHBondContact O-N 2.9Å; A604-G606 PolarHBondContact O-N 3.32Å; A604-G606 VanDerWaalsContact O-N 3.16Å; G606-T608 PolarHBondContact O-N 3.05Å; G606-H634 PolarHBondContact O-CD2 3.25Å
607R91.5Very high91.6Very high34 Ų3428.8 Ų28.813%0.12818%0.184CC..  trans-83.9112.8-172.8-65.1169.1-178.1164.7-6.5111.6R578 C602 S603 D605 D636 E638R578-R607 PolarHBondContact NH1-O 3.09Å; C602-R607 WeakPolarHBondContact CA-O 3.33Å; S603-R607 PolarHBondContact N-O 3.35Å; D605-R607 HydrophobicContact CB-CB 4.44Å; D605-R607 HydrophobicContact CB-CG 3.74Å; D605-R607 PolarHBondContact O-N 3.29Å; D605-R607 IonicContact OD2-CZ 3.26Å; D605-R607 VanDerWaalsContact OD2-CZ 3.3Å; D605-R607 IonicContact OD2-NE 3.34Å; D605-R607 IonicContact OD2-NH1 2.67Å; D605-R607 PolarHBondContact OD2-NH1 3.12Å; R607-D636 HydrophobicContact CG-CB 3.71Å; R607-D636 IonicContact NE-OD2 3.08Å; R607-E638 IonicContact NH2-OE1 3.25Å; R607-E638 PolarHBondContact NH2-OE1 3.09Å; R607-E638 VanDerWaalsContact NH2-OE1 3.11Å
608T94Very high91.9Very high1 Ų133.2 Ų33.21%0.00620%0.199CC..  trans-83.2171.6-179.261.60000114.4D600 C602 G606 R611 A612 H634D600-T608 HydrophobicContact CB-CG2 4.5Å; C602-T608 HydrophobicContact CB-CG2 4.13Å; G606-T608 PolarHBondContact O-N 3.05Å; T608-R611 PolarHBondContact OG1-N 3.15Å; T608-A612 PolarHBondContact O-N 2.72Å; T608-H634 HydrophobicContact CG2-CB 3.85Å; T608-H634 VanDerWaalsContact CG2-CD2 3.41Å; T608-H634 WeakPolarHBondContact CG2-CD2 3.39Å; T608-H634 VanDerWaalsContact CG2-CG 3.42Å
609A95Very high92Very high1 Ų132.4 Ų32.41%0.00819%0.19CC..Hα-helixtrans-63.1-38.5170.200000113L577 R578 A581 A612 A613 L625L577-A609 HydrophobicContact CD2-CB 4.14Å; L577-A609 HydrophobicContact CG-CB 3.94Å; R578-A609 HydrophobicContact CB-CB 4.22Å; A581-A609 HydrophobicContact CB-CB 4.19Å; A609-A612 PolarHBondContact O-N 3.1Å; A609-A613 PolarHBondContact O-N 3.41Å; A609-L625 HydrophobicContact CB-CD1 4.22Å; A609-L625 HydrophobicContact CB-CD2 4.03Å
610L97Very high92.1Very high0 Ų036.2 Ų36.20%021%0.207CC..Hα-helixtrans-61.6-49.4176.9-178.264.4000111A612 A613 S614 C622 L625 L626 A630 A642 L658L610-A612 PolarHBondContact O-N 3.05Å; L610-A613 PolarHBondContact O-N 3.33Å; L610-S614 WeakPolarHBondContact O-CB 3.25Å; L610-S614 PolarHBondContact O-N 2.8Å; L610-S614 PolarHBondContact O-OG 3.42Å; L610-S614 VanDerWaalsContact O-OG 3.07Å; L610-C622 HydrophobicContact CD1-CB 4.07Å; L610-L625 HydrophobicContact CD1-CB 4.18Å; L610-L626 HydrophobicContact CD1-CD2 4.17Å; L610-L626 HydrophobicContact CD1-CG 4.03Å; L610-L626 HydrophobicContact CD2-CD2 3.81Å; L610-A630 HydrophobicContact CB-CB 4.24Å; L610-A630 HydrophobicContact CD2-CB 3.98Å; L610-A642 HydrophobicContact CD2-CB 4.15Å; L610-A642 HydrophobicContact CG-CB 3.96Å; L610-L658 HydrophobicContact CD1-CD2 4.21Å; L610-L658 HydrophobicContact CD2-CD2 4.02Å; L610-L658 HydrophobicContact CG-CD2 4.31Å
611R95Very high92.3Very high19 Ų1934.5 Ų34.57%0.07220%0.197CC..Hα-helixtrans-58.4-33.6175.6-170.1-167.3169.2-66.86.1112.3T608 W615 D636 A642 T645T608-R611 PolarHBondContact OG1-N 3.15Å; R611-W615 WeakPolarHBondContact O-CB 3.24Å; R611-W615 PolarHBondContact O-N 3.41Å; R611-D636 IonicContact CZ-OD2 2.68Å; R611-D636 IonicContact NE-OD2 2.76Å; R611-D636 PolarHBondContact NE-OD2 3.15Å; R611-D636 IonicContact NH2-OD2 2.65Å; R611-D636 PolarHBondContact NH2-OD2 3.29Å; R611-A642 HydrophobicContact CB-CB 4.46Å; R611-T645 HydrophobicContact CG-CG2 3.84Å
612A94.4Very high92.7Very high6 Ų632.9 Ų32.95%0.0519%0.187CC..Hα-helixtrans-75.8-37.9-179.300000113.8R578 H582 T608 A609 L610 A616R578-A612 HydrophobicContact CG-CB 3.71Å; H582-A612 HydrophobicContact CB-CB 4.16Å; H582-A612 PolarHBondContact ND1-O 3.28Å; H582-A612 VanDerWaalsContact ND1-O 3.17Å; T608-A612 PolarHBondContact O-N 2.72Å; A609-A612 PolarHBondContact O-N 3.1Å; L610-A612 PolarHBondContact O-N 3.05Å; A612-A616 PolarHBondContact O-N 3.42Å
613A96.7Very high93.3Very high0 Ų031.6 Ų31.60%018%0.178CC..Hα-helixtrans-68.5-41.3168.800000111.6A581 A609 L610 W615 A616 G617 Y618 C621 C622 L625A581-A613 HydrophobicContact CB-CB 4.09Å; A609-A613 PolarHBondContact O-N 3.41Å; L610-A613 PolarHBondContact O-N 3.33Å; A613-W615 PolarHBondContact O-N 2.95Å; A613-A616 CarbonylContact O-C 3.56Å; A613-A616 PolarHBondContact O-N 3.42Å; A613-A616 VanDerWaalsContact O-N 3.16Å; A613-G617 PolarHBondContact O-N 3.11Å; A613-Y618 PolarHBondContact O-N 3.34Å; A613-C621 HydrophobicContact CB-CB 3.81Å; A613-C622 VanDerWaalsContact CB-SG 3.51Å; A613-L625 HydrophobicContact CB-CD1 4.29Å
614S96.8Very high93.9Very high0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-66.2-36.3179.6-67.10000113.5L610 A616 C622 A642 A646 H651 V654L610-S614 WeakPolarHBondContact O-CB 3.25Å; L610-S614 PolarHBondContact O-N 2.8Å; L610-S614 PolarHBondContact O-OG 3.42Å; L610-S614 VanDerWaalsContact O-OG 3.07Å; S614-A616 VanDerWaalsContact C-N 3.34Å; S614-C622 PolarHBondContact OG-SG 3.22Å; S614-C622 VanDerWaalsContact OG-SG 3.38Å; S614-A642 WeakPolarHBondContact CB-O 3.4Å; S614-A646 WeakPolarHBondContact O-CA 3.4Å; S614-H651 PolarHBondContact O-CD2 3.1Å; S614-H651 VanDerWaalsContact O-CD2 3.26Å; S614-V654 WeakPolarHBondContact OG-CG1 3.43Å
615W94.5Very high94.6Very high103 Ų10327.6 Ų27.639%0.3914%0.141SC..Hα-helixtrans-61.2-41.9170.4178.6-80.9000112.1R611 A613 T645 F648 N649 H651R611-W615 WeakPolarHBondContact O-CB 3.24Å; R611-W615 PolarHBondContact O-N 3.41Å; A613-W615 PolarHBondContact O-N 2.95Å; W615-T645 HydrophobicContact CE3-CG2 3.9Å; W615-T645 HydrophobicContact CZ3-CG2 4.49Å; W615-F648 HydrophobicContact CH2-CD1 4.05Å; W615-F648 AromaticContact CH2-CE1 3.98Å; W615-F648 HydrophobicContact CH2-CE1 3.98Å; W615-F648 HydrophobicContact CZ3-CD1 4.13Å; W615-F648 HydrophobicContact CZ3-CE1 4.47Å; W615-N649 VanDerWaalsContact CD2-ND2 3.33Å; W615-N649 VanDerWaalsContact CE2-ND2 3.34Å; W615-N649 PolarHBondContact O-ND2 2.98Å; W615-H651 PolarHBondContact O-CD2 3.11Å; W615-H651 PolarHBondContact O-NE2 3.28Å
616A93.4Very high95.1Very high30 Ų3026.9 Ų26.925%0.24814%0.137CC..Hα-helixtrans-82.6-20.6-176.700000114A612 A613 S614 Y618A612-A616 PolarHBondContact O-N 3.42Å; A613-A616 CarbonylContact O-C 3.56Å; A613-A616 PolarHBondContact O-N 3.42Å; A613-A616 VanDerWaalsContact O-N 3.16Å; S614-A616 VanDerWaalsContact C-N 3.34Å; A616-Y618 HydrophobicContact CB-CD2 3.52Å; A616-Y618 HydrophobicContact CB-CE2 3.54Å
617G94.5Very high95.4Very high22 Ų2234.3 Ų34.323%0.22717%0.166CC..THydrogen-bonded Turntrans92.914.2177.200000115.2A613 D619 H651A613-G617 PolarHBondContact O-N 3.11Å; G617-D619 PolarHBondContact O-N 2.94Å; G617-H651 VanDerWaalsContact CA-CG 3.5Å; G617-H651 PolarHBondContact N-NE2 2.76Å
618Y96.5Very high95.5Very high101 Ų10134.9 Ų34.940%0.39618%0.178SC..  trans-81.185.4-175.2-66.5-61.6000112.4H582 A613 A616 Q620 C621 C622H582-Y618 VanDerWaalsContact O-CE2 3.26Å; H582-Y618 WeakPolarHBondContact O-CE2 3.21Å; A613-Y618 PolarHBondContact O-N 3.34Å; A616-Y618 HydrophobicContact CB-CD2 3.52Å; A616-Y618 HydrophobicContact CB-CE2 3.54Å; Y618-Q620 VanDerWaalsContact C-N 3.35Å; Y618-Q620 PolarHBondContact O-N 2.83Å; Y618-C621 WeakPolarHBondContact O-CB 3.33Å; Y618-C621 PolarHBondContact O-N 3.49Å; Y618-C622 PolarHBondContact O-N 3.1Å; Y618-C622 VanDerWaalsContact O-N 3.08Å
619D95.4Very high95.5Very high45 Ų4537.5 Ų37.524%0.24120%0.204CC..Hα-helixtrans-51.8-47.1-176.775.4-41.4000113.6G617 C621 C622 S623 R653 V654 M657G617-D619 PolarHBondContact O-N 2.94Å; D619-C621 VanDerWaalsContact C-N 3.28Å; D619-C621 PolarHBondContact O-N 2.92Å; D619-C622 PolarHBondContact O-N 3.25Å; D619-C622 VanDerWaalsContact O-N 3.16Å; D619-S623 PolarHBondContact O-N 3.41Å; D619-R653 HydrophobicContact CB-CG 4.36Å; D619-R653 IonicContact OD2-CZ 2.68Å; D619-R653 IonicContact OD2-NE 2.61Å; D619-R653 PolarHBondContact OD2-NE 3.31Å; D619-R653 IonicContact OD2-NH2 3.84Å; D619-R653 PolarHBondContact OD2-NH2 2.88Å; D619-V654 HydrophobicContact CB-CG2 4.39Å; D619-M657 HydrophobicContact CB-CE 3.64Å; D619-M657 WeakPolarHBondContact O-CE 3.39Å
620Q95.8Very high95.5Very high102 Ų10237.8 Ų37.848%0.47721%0.207SC..Hα-helixtrans-64.2-33.3-179.6-171.863.718.600112A586 Y618 I624A586-Q620 HydrophobicContact CB-CB 4.13Å; A586-Q620 HydrophobicContact CB-CG 3.67Å; Y618-Q620 VanDerWaalsContact C-N 3.35Å; Y618-Q620 PolarHBondContact O-N 2.83Å; Q620-I624 HydrophobicContact CG-CD1 4.13Å; Q620-I624 VanDerWaalsContact O-CD1 3.25Å; Q620-I624 WeakPolarHBondContact O-CD1 3.47Å; Q620-I624 WeakPolarHBondContact O-CG1 3.2Å; Q620-I624 PolarHBondContact O-N 3.39Å
621C96.2Very high95.4Very high1 Ų140.3 Ų40.31%0.00723%0.225CC..Hα-helixtrans-67.8-46.3173-680000111.1G584 A613 Y618 D619 S623 I624 L625G584-C621 VanDerWaalsContact C-SG 3.59Å; A613-C621 HydrophobicContact CB-CB 3.81Å; Y618-C621 WeakPolarHBondContact O-CB 3.33Å; Y618-C621 PolarHBondContact O-N 3.49Å; D619-C621 VanDerWaalsContact C-N 3.28Å; D619-C621 PolarHBondContact O-N 2.92Å; C621-S623 PolarHBondContact O-N 2.94Å; C621-I624 PolarHBondContact O-N 3.03Å; C621-L625 WeakPolarHBondContact O-CG 3.43Å; C621-L625 PolarHBondContact O-N 2.95Å
622C96.6Very high95.5Very high0 Ų040.5 Ų40.50%023%0.228CC..Hα-helixtrans-60.5-44.1176.5-60.60000111.5L610 A613 S614 Y618 D619 I624 L625 L626 V654 M657L610-C622 HydrophobicContact CD1-CB 4.07Å; A613-C622 VanDerWaalsContact CB-SG 3.51Å; S614-C622 PolarHBondContact OG-SG 3.22Å; S614-C622 VanDerWaalsContact OG-SG 3.38Å; Y618-C622 PolarHBondContact O-N 3.1Å; Y618-C622 VanDerWaalsContact O-N 3.08Å; D619-C622 PolarHBondContact O-N 3.25Å; D619-C622 VanDerWaalsContact O-N 3.16Å; C622-I624 VanDerWaalsContact C-N 3.28Å; C622-I624 PolarHBondContact O-N 3.15Å; C622-L625 PolarHBondContact O-N 3.41Å; C622-L626 WeakPolarHBondContact O-CB 3.22Å; C622-L626 VanDerWaalsContact O-CG 3.24Å; C622-L626 WeakPolarHBondContact O-CG 3.43Å; C622-L626 PolarHBondContact O-N 2.91Å; C622-V654 HydrophobicContact CB-CG1 4.43Å; C622-M657 HydrophobicContact CB-CE 4.01Å
623S96.6Very high95.5Very high24 Ų2442.4 Ų42.417%0.16824%0.237CC..Hα-helixtrans-60.4-36.5177.7-163.50000112.8D619 C621 K627D619-S623 PolarHBondContact O-N 3.41Å; C621-S623 PolarHBondContact O-N 2.94Å; S623-K627 WeakPolarHBondContact O-CB 3.49Å; S623-K627 VanDerWaalsContact O-CD 3.3Å; S623-K627 WeakPolarHBondContact O-CD 3.46Å; S623-K627 WeakPolarHBondContact O-CG 3.32Å; S623-K627 PolarHBondContact O-N 2.84Å; S623-K627 PolarHBondContact OG-NZ 3.03Å
624I96.3Very high95.4Very high29 Ų2944.9 Ų44.915%0.14925%0.249CC..Hα-helixtrans-72.8-42.5177.4-69.6163000111.1A586 V589 A590 L593 Q620 C621 C622 K627 A628A586-I624 HydrophobicContact CB-CD1 3.88Å; A586-I624 WeakPolarHBondContact O-CD1 3.14Å; V589-I624 HydrophobicContact CG1-CB 4.48Å; V589-I624 HydrophobicContact CG1-CG2 3.94Å; A590-I624 HydrophobicContact CB-CD1 4.26Å; A590-I624 HydrophobicContact CB-CG2 3.92Å; L593-I624 HydrophobicContact CD1-CG2 3.73Å; Q620-I624 HydrophobicContact CG-CD1 4.13Å; Q620-I624 VanDerWaalsContact O-CD1 3.25Å; Q620-I624 WeakPolarHBondContact O-CD1 3.47Å; Q620-I624 WeakPolarHBondContact O-CG1 3.2Å; Q620-I624 PolarHBondContact O-N 3.39Å; C621-I624 PolarHBondContact O-N 3.03Å; C622-I624 VanDerWaalsContact C-N 3.28Å; C622-I624 PolarHBondContact O-N 3.15Å; I624-K627 PolarHBondContact O-N 2.94Å; I624-A628 WeakPolarHBondContact O-CB 3.32Å; I624-A628 PolarHBondContact O-N 3.47Å; I624-A628 VanDerWaalsContact O-N 3.11Å
625L96.6Very high95.3Very high0 Ų049.6 Ų49.60%027%0.27CS..Hα-helixtrans-65.5-46.1178.5-71.5162.3000111.6L577 A581 V589 L593 V599 A609 L610 A613 C621 C622 K627 A628 G629 A630L577-L625 HydrophobicContact CD1-CD2 4.2Å; L577-L625 HydrophobicContact CD2-CD2 4.16Å; L577-L625 HydrophobicContact CG-CD2 4.3Å; A581-L625 HydrophobicContact CB-CD1 4.08Å; V589-L625 HydrophobicContact CG1-CD1 4.45Å; V589-L625 HydrophobicContact CG1-CD2 4Å; V589-L625 HydrophobicContact CG1-CG 3.93Å; L593-L625 HydrophobicContact CD1-CD2 4.16Å; L593-L625 HydrophobicContact CD2-CD2 4.47Å; V599-L625 HydrophobicContact CG2-CD2 3.93Å; A609-L625 HydrophobicContact CB-CD1 4.22Å; A609-L625 HydrophobicContact CB-CD2 4.03Å; L610-L625 HydrophobicContact CD1-CB 4.18Å; A613-L625 HydrophobicContact CB-CD1 4.29Å; C621-L625 WeakPolarHBondContact O-CG 3.43Å; C621-L625 PolarHBondContact O-N 2.95Å; C622-L625 PolarHBondContact O-N 3.41Å; L625-K627 PolarHBondContact O-N 2.66Å; L625-A628 CarbonylContact O-C 3.58Å; L625-A628 WeakPolarHBondContact O-CA 3.41Å; L625-A628 WeakPolarHBondContact O-CB 3.4Å; L625-A628 PolarHBondContact O-N 3.37Å; L625-G629 PolarHBondContact O-N 3.37Å; L625-A630 HydrophobicContact CB-CB 4.15Å; L625-A630 VanDerWaalsContact O-CB 3.29Å; L625-A630 WeakPolarHBondContact O-CB 3.44Å; L625-A630 PolarHBondContact O-N 3.41Å; L625-A630 VanDerWaalsContact O-N 3.11Å
626L95.7Very high95.3Very high33 Ų3345 Ų4517%0.17325%0.254CS..Hα-helixtrans-60.3-42.9176.1-68.1167000111.6L610 C622 A628 G629 V632 L658 A661L610-L626 HydrophobicContact CD1-CD2 4.17Å; L610-L626 HydrophobicContact CD1-CG 4.03Å; L610-L626 HydrophobicContact CD2-CD2 3.81Å; C622-L626 WeakPolarHBondContact O-CB 3.22Å; C622-L626 VanDerWaalsContact O-CG 3.24Å; C622-L626 WeakPolarHBondContact O-CG 3.43Å; C622-L626 PolarHBondContact O-N 2.91Å; L626-A628 PolarHBondContact O-N 2.68Å; L626-G629 PolarHBondContact O-N 2.87Å; L626-V632 HydrophobicContact CD2-CG1 4.29Å; L626-V632 HydrophobicContact CD2-CG2 3.87Å; L626-L658 HydrophobicContact CD1-CD2 4.29Å; L626-L658 HydrophobicContact CD2-CD2 4.27Å; L626-A661 HydrophobicContact CD1-CB 4.08Å; L626-A661 HydrophobicContact CD2-CB 3.88Å; L626-A661 HydrophobicContact CG-CB 4.47Å
627K95.1Very high95.2Very high170 Ų17045.6 Ų45.674%0.73926%0.255SS*.Hα-helixtrans-66.9-17.5174.3-74.6168.3-176.31490114.1S623 I624 L625S623-K627 WeakPolarHBondContact O-CB 3.49Å; S623-K627 VanDerWaalsContact O-CD 3.3Å; S623-K627 WeakPolarHBondContact O-CD 3.46Å; S623-K627 WeakPolarHBondContact O-CG 3.32Å; S623-K627 PolarHBondContact O-N 2.84Å; S623-K627 PolarHBondContact OG-NZ 3.03Å; I624-K627 PolarHBondContact O-N 2.94Å; L625-K627 PolarHBondContact O-N 2.66Å
628A94Very high95.1Very high46 Ų4646.1 Ų46.138%0.3825%0.252SS..THydrogen-bonded Turntrans-93.17.4172.800000113.2L593 V599 I624 L625 L626L593-A628 HydrophobicContact CD1-CB 3.83Å; L593-A628 HydrophobicContact CD2-CB 3.99Å; L593-A628 HydrophobicContact CG-CB 4.36Å; V599-A628 HydrophobicContact CG2-CB 4.24Å; I624-A628 WeakPolarHBondContact O-CB 3.32Å; I624-A628 PolarHBondContact O-N 3.47Å; I624-A628 VanDerWaalsContact O-N 3.11Å; L625-A628 CarbonylContact O-C 3.58Å; L625-A628 WeakPolarHBondContact O-CA 3.41Å; L625-A628 WeakPolarHBondContact O-CB 3.4Å; L625-A628 PolarHBondContact O-N 3.37Å; L626-A628 PolarHBondContact O-N 2.68Å
629G93.9Very high94.9Very high55 Ų5541.4 Ų41.457%0.56724%0.235SC*.THydrogen-bonded Turntrans85.924.9176.200000115L625 L626 S631L625-G629 PolarHBondContact O-N 3.37Å; L626-G629 PolarHBondContact O-N 2.87Å; G629-S631 PolarHBondContact O-N 3.45Å
630A95Very high94.9Very high7 Ų741.8 Ų41.86%0.05823%0.232CC..  trans-57.1130.6173.700000111.9V599 D600 L610 L625 V632V599-A630 HydrophobicContact CG2-CB 3.57Å; D600-A630 WeakPolarHBondContact OD1-CA 3.35Å; L610-A630 HydrophobicContact CB-CB 4.24Å; L610-A630 HydrophobicContact CD2-CB 3.98Å; L625-A630 HydrophobicContact CB-CB 4.15Å; L625-A630 VanDerWaalsContact O-CB 3.29Å; L625-A630 WeakPolarHBondContact O-CB 3.44Å; L625-A630 PolarHBondContact O-N 3.41Å; L625-A630 VanDerWaalsContact O-N 3.11Å; A630-V632 PolarHBondContact O-N 2.75Å; A630-V632 VanDerWaalsContact O-N 3.13Å
631S95.3Very high94.9Very high54 Ų5436.9 Ų36.938%0.37821%0.21SC..  trans-63.9110.6172.4-179.70000110.1D600 G629 D633 H634D600-S631 VanDerWaalsContact CG-N 3.28Å; D600-S631 PolarHBondContact OD1-N 2.92Å; D600-S631 WeakPolarHBondContact OD2-CB 3.29Å; D600-S631 PolarHBondContact OD2-N 3.46Å; G629-S631 PolarHBondContact O-N 3.45Å; S631-D633 PolarHBondContact O-N 2.72Å; S631-H634 PolarHBondContact O-N 3.18Å
632V95.4Very high94.9Very high23 Ų2336.9 Ų36.914%0.13921%0.21CC..THydrogen-bonded Turntrans-63.8-43.5-170.3-163.50000111.5L626 A630 L658 A661 A663L626-V632 HydrophobicContact CD2-CG1 4.29Å; L626-V632 HydrophobicContact CD2-CG2 3.87Å; A630-V632 PolarHBondContact O-N 2.75Å; A630-V632 VanDerWaalsContact O-N 3.13Å; V632-L658 HydrophobicContact CG1-CB 4.42Å; V632-L658 HydrophobicContact CG1-CD2 3.84Å; V632-A661 HydrophobicContact CG1-CB 4.44Å; V632-A661 HydrophobicContact CG2-CB 4.14Å; V632-A663 HydrophobicContact CG1-CB 3.58Å
633D95.5Very high95Very high45 Ų4537 Ų3724%0.24121%0.21CC..THydrogen-bonded Turntrans-100.626.5-176.5-54-58.4000113.2S631 Q635 T641 A663 D664S631-D633 PolarHBondContact O-N 2.72Å; D633-Q635 PolarHBondContact O-N 2.92Å; D633-Q635 VanDerWaalsContact O-N 3.12Å; D633-T641 HydrophobicContact CB-CG2 4.08Å; D633-A663 WeakPolarHBondContact OD1-CA 3.03Å; D633-D664 VanDerWaalsContact CG-N 3.31Å; D633-D664 PolarHBondContact OD1-N 2.91Å; D633-D664 PolarHBondContact OD2-N 2.88Å
634H94.9Very high94.9Very high53 Ų5335.9 Ų35.925%0.24520%0.203CC..  trans-62.6116.3173.6-160.6115.4000110.3G606 T608 S631G606-H634 PolarHBondContact O-CD2 3.25Å; T608-H634 HydrophobicContact CG2-CB 3.85Å; T608-H634 VanDerWaalsContact CG2-CD2 3.41Å; T608-H634 WeakPolarHBondContact CG2-CD2 3.39Å; T608-H634 VanDerWaalsContact CG2-CG 3.42Å; S631-H634 PolarHBondContact O-N 3.18Å
635Q94.7Very high94.8Very high98 Ų9834.7 Ų34.746%0.45820%0.196SC..  trans-83.8141.8-176.8-67162.137.800111.8D633 T641 H667D633-Q635 PolarHBondContact O-N 2.92Å; D633-Q635 VanDerWaalsContact O-N 3.12Å; Q635-T641 HydrophobicContact CG-CG2 4.36Å; Q635-H667 VanDerWaalsContact CD-NE2 3.33Å; Q635-H667 WeakPolarHBondContact CG-NE2 3.12Å; Q635-H667 PolarHBondContact NE2-CE1 3.46Å; Q635-H667 PolarHBondContact NE2-NE2 3.09Å
636D93.2Very high94.8Very high7 Ų734.7 Ų34.74%0.03720%0.196CC..  trans-79.9179.8164.973.88.2000112.7D605 R607 R611 E638 G639 R640D605-D636 CarbonylContact O-C 3.53Å; D605-D636 WeakPolarHBondContact O-CA 3.18Å; D605-D636 WeakPolarHBondContact O-CB 3.25Å; R607-D636 HydrophobicContact CG-CB 3.71Å; R607-D636 IonicContact NE-OD2 3.08Å; R611-D636 IonicContact CZ-OD2 2.68Å; R611-D636 IonicContact NE-OD2 2.76Å; R611-D636 PolarHBondContact NE-OD2 3.15Å; R611-D636 IonicContact NH2-OD2 2.65Å; R611-D636 PolarHBondContact NH2-OD2 3.29Å; D636-E638 PolarHBondContact O-N 2.72Å; D636-E638 WeakPolarHBondContact OD1-CA 3.48Å; D636-E638 WeakPolarHBondContact OD1-CB 3.48Å; D636-E638 PolarHBondContact OD1-N 3.44Å; D636-G639 PolarHBondContact O-N 2.92Å; D636-G639 PolarHBondContact OD1-N 3.42Å; D636-R640 PolarHBondContact N-O 3.39Å; D636-R640 VanDerWaalsContact N-O 3.1Å; D636-R640 PolarHBondContact OD1-N 2.96Å; D636-R640 IonicContact OD1-NE 3.3Å; D636-R640 IonicContact OD1-NH2 3.49Å; D636-R640 IonicContact OD2-CZ 3Å; D636-R640 IonicContact OD2-NE 2.68Å; D636-R640 PolarHBondContact OD2-NE 3.05Å; D636-R640 IonicContact OD2-NH2 2.77Å; D636-R640 PolarHBondContact OD2-NH2 2.84Å
637C92.8Very high94.8Very high42 Ų4233.1 Ų33.128%0.28419%0.188SC..THydrogen-bonded Turntrans-64.11.2177.165.20000114.6D605 R670D605-C637 PolarHBondContact O-N 2.87Å; C637-R670 PolarHBondContact O-NE 3.02Å; C637-R670 PolarHBondContact O-NH1 3.29Å; C637-R670 PolarHBondContact O-NH2 2.69Å
638E91.4Very high94.8Very high33 Ų3327.6 Ų27.615%0.15416%0.164CC..THydrogen-bonded Turntrans-117.27.3173.5-65.3165.5-104.900111.1R607 D636 R640 R670 H1143R607-E638 IonicContact NH2-OE1 3.25Å; R607-E638 PolarHBondContact NH2-OE1 3.09Å; R607-E638 VanDerWaalsContact NH2-OE1 3.11Å; D636-E638 PolarHBondContact O-N 2.72Å; D636-E638 WeakPolarHBondContact OD1-CA 3.48Å; D636-E638 WeakPolarHBondContact OD1-CB 3.48Å; D636-E638 PolarHBondContact OD1-N 3.44Å; E638-R640 HydrophobicContact CB-CG 4.44Å; E638-R640 VanDerWaalsContact CD-NH1 3.31Å; E638-R640 IonicContact OE1-CZ 2.68Å; E638-R640 IonicContact OE1-NH1 2.75Å; E638-R640 IonicContact OE1-NH2 3.78Å; E638-R640 PolarHBondContact OE1-NH2 3.35Å; E638-R640 IonicContact OE2-CZ 3.21Å; E638-R640 VanDerWaalsContact OE2-CZ 3.24Å; E638-R640 IonicContact OE2-NH1 2.81Å; E638-R640 PolarHBondContact OE2-NH1 2.75Å; E638-R640 IonicContact OE2-NH2 2.88Å; E638-R640 PolarHBondContact OE2-NH2 2.77Å; E638-R670 WeakPolarHBondContact O-CB 3.33Å; E638-R670 WeakPolarHBondContact O-CG 3.4Å; E638-R670 PolarHBondContact O-N 3.47Å; E638-H1143 IonicContact OE2-ND1 3.47Å; E638-H1143 PolarHBondContact OE2-ND1 2.74Å
639G93Very high94.8Very high3 Ų327 Ų273%0.03115%0.154CC..SBendtrans82.89.5179.300000114.4D636D636-G639 PolarHBondContact O-N 2.92Å; D636-G639 PolarHBondContact OD1-N 3.42Å
640R94.9Very high94.8Very high52 Ų5224.5 Ų24.520%0.19613%0.129CC..  trans-95127-169.9-56.8174.2-58.9-139.4-8.2112.7D636 E638 M644 D669D636-R640 PolarHBondContact N-O 3.39Å; D636-R640 VanDerWaalsContact N-O 3.1Å; D636-R640 PolarHBondContact OD1-N 2.96Å; D636-R640 IonicContact OD1-NE 3.3Å; D636-R640 IonicContact OD1-NH2 3.49Å; D636-R640 IonicContact OD2-CZ 3Å; D636-R640 IonicContact OD2-NE 2.68Å; D636-R640 PolarHBondContact OD2-NE 3.05Å; D636-R640 IonicContact OD2-NH2 2.77Å; D636-R640 PolarHBondContact OD2-NH2 2.84Å; E638-R640 HydrophobicContact CB-CG 4.44Å; E638-R640 VanDerWaalsContact CD-NH1 3.31Å; E638-R640 IonicContact OE1-CZ 2.68Å; E638-R640 IonicContact OE1-NH1 2.75Å; E638-R640 IonicContact OE1-NH2 3.78Å; E638-R640 PolarHBondContact OE1-NH2 3.35Å; E638-R640 IonicContact OE2-CZ 3.21Å; E638-R640 VanDerWaalsContact OE2-CZ 3.24Å; E638-R640 IonicContact OE2-NH1 2.81Å; E638-R640 PolarHBondContact OE2-NH1 2.75Å; E638-R640 IonicContact OE2-NH2 2.88Å; E638-R640 PolarHBondContact OE2-NH2 2.77Å; R640-M644 HydrophobicContact CB-CB 4.46Å; R640-M644 HydrophobicContact CB-SD 3.82Å; R640-M644 HydrophobicContact CG-SD 3.93Å; R640-D669 HydrophobicContact CG-CB 3.88Å
641T96.7Very high94.8Very high0 Ų026.3 Ų26.30%014%0.136CC..  trans-79.7173.4176.465.40000112.5D633 Q635 L643 T645 H667D633-T641 HydrophobicContact CB-CG2 4.08Å; Q635-T641 HydrophobicContact CG-CG2 4.36Å; T641-L643 PolarHBondContact O-N 2.92Å; T641-L643 PolarHBondContact OG1-N 2.93Å; T641-T645 PolarHBondContact O-N 3.4Å; T641-H667 HydrophobicContact CG2-CB 4.2Å; T641-H667 VanDerWaalsContact CG2-CD2 3.48Å; T641-H667 WeakPolarHBondContact CG2-CD2 3.44Å
642A96.2Very high94.8Very high1 Ų125.7 Ų25.71%0.00813%0.132CC..Hα-helixtrans-63.2-28.3171.800000113.1L610 R611 S614 T645 A646 L658L610-A642 HydrophobicContact CD2-CB 4.15Å; L610-A642 HydrophobicContact CG-CB 3.96Å; R611-A642 HydrophobicContact CB-CB 4.46Å; S614-A642 WeakPolarHBondContact CB-O 3.4Å; A642-T645 PolarHBondContact O-N 2.83Å; A642-T645 PolarHBondContact O-OG1 3.31Å; A642-A646 PolarHBondContact O-N 2.86Å; A642-A646 VanDerWaalsContact O-N 3.12Å; A642-L658 HydrophobicContact CB-CD1 4.09Å; A642-L658 HydrophobicContact CB-CD2 4.16Å
643L97Very high94.8Very high1 Ų132.1 Ų32.11%0.00515%0.153CC..Hα-helixtrans-70.7-44.3-179.5-171.1151.2000110.9T641 T645 A646 A647 V655 L658 A663 I665 A675 L696T641-L643 PolarHBondContact O-N 2.92Å; T641-L643 PolarHBondContact OG1-N 2.93Å; L643-T645 VanDerWaalsContact C-N 3.3Å; L643-T645 PolarHBondContact O-N 3.01Å; L643-A646 PolarHBondContact O-N 3.37Å; L643-A647 VanDerWaalsContact O-CB 3.3Å; L643-A647 WeakPolarHBondContact O-CB 3.32Å; L643-A647 PolarHBondContact O-N 2.87Å; L643-V655 HydrophobicContact CG-CG1 4.39Å; L643-L658 HydrophobicContact CB-CB 4.49Å; L643-L658 HydrophobicContact CB-CD1 4.13Å; L643-L658 HydrophobicContact CD1-CB 4.3Å; L643-A663 HydrophobicContact CB-CB 4.45Å; L643-A663 HydrophobicContact CD1-CB 3.6Å; L643-I665 HydrophobicContact CD1-CG1 4.08Å; L643-A675 HydrophobicContact CD2-CB 3.39Å; L643-L696 HydrophobicContact CD2-CD2 4.04Å
644M96.1Very high94.8Very high2 Ų230 Ų301%0.0114%0.143CC..Hα-helixtrans-57.4-41.2173.8-67.5177.8176.200112.6R640 A647 F648 H667 D669 R673 A675R640-M644 HydrophobicContact CB-CB 4.46Å; R640-M644 HydrophobicContact CB-SD 3.82Å; R640-M644 HydrophobicContact CG-SD 3.93Å; M644-A647 PolarHBondContact O-N 3.07Å; M644-F648 WeakPolarHBondContact O-CB 3.35Å; M644-F648 PolarHBondContact O-N 3.02Å; M644-H667 HydrophobicContact CE-CB 4.13Å; M644-H667 WeakPolarHBondContact CE-O 3.33Å; M644-D669 HydrophobicContact CE-CB 4.14Å; M644-D669 HydrophobicContact SD-CB 4.1Å; M644-R673 VanDerWaalsContact CE-O 3.29Å; M644-R673 WeakPolarHBondContact CE-O 3.34Å; M644-A675 HydrophobicContact CG-CB 4.17Å
645T94.5Very high94.9Very high3 Ų327.5 Ų27.52%0.01813%0.131CC..Hα-helixtrans-72.8-33-179.760.70000113.3R611 W615 T641 A642 L643R611-T645 HydrophobicContact CG-CG2 3.84Å; W615-T645 HydrophobicContact CE3-CG2 3.9Å; W615-T645 HydrophobicContact CZ3-CG2 4.49Å; T641-T645 PolarHBondContact O-N 3.4Å; A642-T645 PolarHBondContact O-N 2.83Å; A642-T645 PolarHBondContact O-OG1 3.31Å; L643-T645 VanDerWaalsContact C-N 3.3Å; L643-T645 PolarHBondContact O-N 3.01Å
646A96.1Very high95Very high0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-67.6-41.217000000111.6S614 A642 L643 G650 H651 V654 V655 L658S614-A646 WeakPolarHBondContact O-CA 3.4Å; A642-A646 PolarHBondContact O-N 2.86Å; A642-A646 VanDerWaalsContact O-N 3.12Å; L643-A646 PolarHBondContact O-N 3.37Å; A646-G650 PolarHBondContact O-N 3.14Å; A646-G650 VanDerWaalsContact O-N 3.08Å; A646-H651 HydrophobicContact CB-CB 4.36Å; A646-H651 PolarHBondContact O-N 3.28Å; A646-V654 HydrophobicContact CB-CB 4.04Å; A646-V654 HydrophobicContact CB-CG1 3.81Å; A646-V655 HydrophobicContact CB-CG2 3.64Å; A646-L658 HydrophobicContact CB-CD1 4.23Å
647A96Very high95.1Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-65.1-50.7179.800000112L643 M644 N649 G650 V655 A675 V679 M692 L696L643-A647 VanDerWaalsContact O-CB 3.3Å; L643-A647 WeakPolarHBondContact O-CB 3.32Å; L643-A647 PolarHBondContact O-N 2.87Å; M644-A647 PolarHBondContact O-N 3.07Å; A647-N649 VanDerWaalsContact C-N 3.27Å; A647-N649 PolarHBondContact O-N 2.67Å; A647-G650 WeakPolarHBondContact O-CA 3.31Å; A647-G650 PolarHBondContact O-N 2.83Å; A647-V655 HydrophobicContact CB-CG2 4.26Å; A647-A675 HydrophobicContact CB-CB 4.22Å; A647-V679 HydrophobicContact CB-CG2 3.58Å; A647-M692 HydrophobicContact CB-CG 4.45Å; A647-M692 HydrophobicContact CB-SD 4.29Å; A647-L696 HydrophobicContact CB-CD1 4.36Å
648F94.4Very high95.3Very high55 Ų5526.9 Ų26.924%0.24112%0.124CC..Hα-helixtrans-52.9-40.3178.4-175.8-102.5000113.6W615 M644 V678 P683 L684W615-F648 HydrophobicContact CH2-CD1 4.05Å; W615-F648 AromaticContact CH2-CE1 3.98Å; W615-F648 HydrophobicContact CH2-CE1 3.98Å; W615-F648 HydrophobicContact CZ3-CD1 4.13Å; W615-F648 HydrophobicContact CZ3-CE1 4.47Å; M644-F648 WeakPolarHBondContact O-CB 3.35Å; M644-F648 PolarHBondContact O-N 3.02Å; F648-V678 HydrophobicContact CB-CG1 3.85Å; F648-V678 HydrophobicContact CD2-CG1 3.66Å; F648-V678 HydrophobicContact CG-CG1 4.19Å; F648-P683 HydrophobicContact CE1-CG 4.18Å; F648-P683 VanDerWaalsContact CZ-CD 3.47Å; F648-P683 HydrophobicContact CZ-CG 4.33Å; F648-L684 WeakPolarHBondContact O-CD2 3.32Å
649N93.5Very high95.5Very high32 Ų3226.2 Ų26.217%0.17112%0.124CC..THydrogen-bonded Turntrans-91.91.8177.9-70.9-26.8000113.6W615 A647 H651 K688W615-N649 VanDerWaalsContact CD2-ND2 3.33Å; W615-N649 VanDerWaalsContact CE2-ND2 3.34Å; W615-N649 PolarHBondContact O-ND2 2.98Å; A647-N649 VanDerWaalsContact C-N 3.27Å; A647-N649 PolarHBondContact O-N 2.67Å; N649-H651 WeakPolarHBondContact CB-NE2 3.41Å; N649-K688 PolarHBondContact O-NZ 3.45Å
650G93.7Very high95.6Very high3 Ų330.4 Ų30.43%0.03116%0.159CC..THydrogen-bonded Turntrans75.628.1172.700000114.5A646 A647 S652 K688A646-G650 PolarHBondContact O-N 3.14Å; A646-G650 VanDerWaalsContact O-N 3.08Å; A647-G650 WeakPolarHBondContact O-CA 3.31Å; A647-G650 PolarHBondContact O-N 2.83Å; G650-S652 VanDerWaalsContact C-N 3.34Å; G650-S652 PolarHBondContact O-N 3.01Å; G650-S652 VanDerWaalsContact O-N 3.08Å; G650-K688 WeakPolarHBondContact O-CE 3.38Å; G650-K688 PolarHBondContact O-NZ 3.28Å
651H95Very high95.6Very high45 Ų4530.1 Ų30.121%0.20817%0.167CC..  trans-86.268.9-175.1-60.9-52.8000111.9S614 W615 G617 A646 N649 R653 V654 V655S614-H651 PolarHBondContact O-CD2 3.1Å; S614-H651 VanDerWaalsContact O-CD2 3.26Å; W615-H651 PolarHBondContact O-CD2 3.11Å; W615-H651 PolarHBondContact O-NE2 3.28Å; G617-H651 VanDerWaalsContact CA-CG 3.5Å; G617-H651 PolarHBondContact N-NE2 2.76Å; A646-H651 HydrophobicContact CB-CB 4.36Å; A646-H651 PolarHBondContact O-N 3.28Å; N649-H651 WeakPolarHBondContact CB-NE2 3.41Å; H651-R653 VanDerWaalsContact C-N 3.33Å; H651-R653 PolarHBondContact O-N 3.07Å; H651-R653 VanDerWaalsContact O-N 3.17Å; H651-V654 HydrophobicContact CB-CB 4.13Å; H651-V654 HydrophobicContact CB-CG2 4.13Å; H651-V654 WeakPolarHBondContact O-CA 3.43Å; H651-V654 WeakPolarHBondContact O-CB 3.26Å; H651-V654 PolarHBondContact O-N 3.49Å; H651-V655 PolarHBondContact O-N 2.74Å; H651-V655 VanDerWaalsContact O-N 3.11Å
652S95.4Very high95.4Very high41 Ų4132.9 Ų32.929%0.28720%0.195SC..Hα-helixtrans-45.7-49.7-172.1-54.90000114.3G650 V654 V655 E656 L695G650-S652 VanDerWaalsContact C-N 3.34Å; G650-S652 PolarHBondContact O-N 3.01Å; G650-S652 VanDerWaalsContact O-N 3.08Å; S652-V654 VanDerWaalsContact C-N 3.25Å; S652-V654 PolarHBondContact O-N 3.39Å; S652-V655 WeakPolarHBondContact O-CB 3.35Å; S652-V655 PolarHBondContact O-N 2.71Å; S652-V655 VanDerWaalsContact O-N 3.09Å; S652-E656 PolarHBondContact O-N 3.36Å; S652-L695 WeakPolarHBondContact O-CD2 3.27Å
653R95.5Very high95.4Very high158 Ų15833.3 Ų33.360%0.59620%0.199SC*.Hα-helixtrans-65.1-24.2179.9-179.5169.4159.9102-3.6113.9D619 H651 M657D619-R653 HydrophobicContact CB-CG 4.36Å; D619-R653 IonicContact OD2-CZ 2.68Å; D619-R653 IonicContact OD2-NE 2.61Å; D619-R653 PolarHBondContact OD2-NE 3.31Å; D619-R653 IonicContact OD2-NH2 3.84Å; D619-R653 PolarHBondContact OD2-NH2 2.88Å; H651-R653 VanDerWaalsContact C-N 3.33Å; H651-R653 PolarHBondContact O-N 3.07Å; H651-R653 VanDerWaalsContact O-N 3.17Å; R653-M657 WeakPolarHBondContact O-CG 3.37Å; R653-M657 PolarHBondContact O-N 3.12Å
654V96.4Very high95.4Very high2 Ų236.6 Ų36.61%0.01222%0.217CC..Hα-helixtrans-79.4-40.3171.9-1790000110.6S614 D619 C622 A646 H651 S652 M657 L658S614-V654 WeakPolarHBondContact OG-CG1 3.43Å; D619-V654 HydrophobicContact CB-CG2 4.39Å; C622-V654 HydrophobicContact CB-CG1 4.43Å; A646-V654 HydrophobicContact CB-CB 4.04Å; A646-V654 HydrophobicContact CB-CG1 3.81Å; H651-V654 HydrophobicContact CB-CB 4.13Å; H651-V654 HydrophobicContact CB-CG2 4.13Å; H651-V654 WeakPolarHBondContact O-CA 3.43Å; H651-V654 WeakPolarHBondContact O-CB 3.26Å; H651-V654 PolarHBondContact O-N 3.49Å; S652-V654 VanDerWaalsContact C-N 3.25Å; S652-V654 PolarHBondContact O-N 3.39Å; V654-M657 HydrophobicContact CG2-CE 4.41Å; V654-M657 PolarHBondContact O-N 3.22Å; V654-L658 HydrophobicContact CG1-CD1 3.86Å; V654-L658 HydrophobicContact CG1-CG 4.25Å; V654-L658 VanDerWaalsContact O-CG 3.3Å; V654-L658 WeakPolarHBondContact O-CG 3.47Å; V654-L658 PolarHBondContact O-N 2.94Å
655V96.8Very high95.3Very high0 Ų037.9 Ų37.90%022%0.223CC..Hα-helixtrans-60.2-44.8174174.60000111L643 A646 A647 H651 S652 M657 L658 A659 M692 L695 L696 L699L643-V655 HydrophobicContact CG-CG1 4.39Å; A646-V655 HydrophobicContact CB-CG2 3.64Å; A647-V655 HydrophobicContact CB-CG2 4.26Å; H651-V655 PolarHBondContact O-N 2.74Å; H651-V655 VanDerWaalsContact O-N 3.11Å; S652-V655 WeakPolarHBondContact O-CB 3.35Å; S652-V655 PolarHBondContact O-N 2.71Å; S652-V655 VanDerWaalsContact O-N 3.09Å; V655-M657 PolarHBondContact O-N 2.92Å; V655-L658 PolarHBondContact O-N 2.89Å; V655-A659 WeakPolarHBondContact O-CB 3.26Å; V655-A659 PolarHBondContact O-N 3.14Å; V655-M692 HydrophobicContact CB-CE 4.4Å; V655-M692 HydrophobicContact CB-SD 4.28Å; V655-M692 HydrophobicContact CG1-SD 4.33Å; V655-M692 HydrophobicContact CG2-CE 3.72Å; V655-M692 HydrophobicContact CG2-SD 3.83Å; V655-L695 HydrophobicContact CB-CD2 4.09Å; V655-L695 HydrophobicContact CG1-CD2 4.09Å; V655-L695 HydrophobicContact CG1-CG 4.47Å; V655-L696 HydrophobicContact CG1-CD2 3.78Å; V655-L699 HydrophobicContact CG1-CD1 3.92Å
656E96.6Very high95.4Very high92 Ų9239.6 Ų39.643%0.4323%0.232SC..Hα-helixtrans-55.5-45.7173.3-74.3177.415400112.6S652 A660 L695S652-E656 PolarHBondContact O-N 3.36Å; E656-A660 WeakPolarHBondContact O-CB 3.43Å; E656-A660 PolarHBondContact O-N 2.68Å; E656-L695 HydrophobicContact CG-CD1 3.71Å; E656-L695 HydrophobicContact CG-CD2 4.05Å
657M95.3Very high95.3Very high42 Ų4240.9 Ų40.921%0.20724%0.238CC..Hα-helixtrans-70.9-33.5179.3-74.9-170.3-52.700113.8D619 C622 R653 V654 V655 A661D619-M657 HydrophobicContact CB-CE 3.64Å; D619-M657 WeakPolarHBondContact O-CE 3.39Å; C622-M657 HydrophobicContact CB-CE 4.01Å; R653-M657 WeakPolarHBondContact O-CG 3.37Å; R653-M657 PolarHBondContact O-N 3.12Å; V654-M657 HydrophobicContact CG2-CE 4.41Å; V654-M657 PolarHBondContact O-N 3.22Å; V655-M657 PolarHBondContact O-N 2.92Å; M657-A661 WeakPolarHBondContact O-CB 3.24Å; M657-A661 PolarHBondContact O-N 3.24Å
658L96.8Very high95.3Very high0 Ų046.6 Ų46.60%026%0.26CS..Hα-helixtrans-70.3-45.9177-70.6168.6000110.3L610 L626 V632 A642 L643 A646 V654 V655 A660 A661 G662 A663L610-L658 HydrophobicContact CD1-CD2 4.21Å; L610-L658 HydrophobicContact CD2-CD2 4.02Å; L610-L658 HydrophobicContact CG-CD2 4.31Å; L626-L658 HydrophobicContact CD1-CD2 4.29Å; L626-L658 HydrophobicContact CD2-CD2 4.27Å; V632-L658 HydrophobicContact CG1-CB 4.42Å; V632-L658 HydrophobicContact CG1-CD2 3.84Å; A642-L658 HydrophobicContact CB-CD1 4.09Å; A642-L658 HydrophobicContact CB-CD2 4.16Å; L643-L658 HydrophobicContact CB-CB 4.49Å; L643-L658 HydrophobicContact CB-CD1 4.13Å; L643-L658 HydrophobicContact CD1-CB 4.3Å; A646-L658 HydrophobicContact CB-CD1 4.23Å; V654-L658 HydrophobicContact CG1-CD1 3.86Å; V654-L658 HydrophobicContact CG1-CG 4.25Å; V654-L658 VanDerWaalsContact O-CG 3.3Å; V654-L658 WeakPolarHBondContact O-CG 3.47Å; V654-L658 PolarHBondContact O-N 2.94Å; V655-L658 PolarHBondContact O-N 2.89Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.49Å; L658-A661 CarbonylContact O-C 3.43Å; L658-A661 WeakPolarHBondContact O-CA 3.33Å; L658-A661 WeakPolarHBondContact O-CB 3.43Å; L658-A661 PolarHBondContact O-N 3.2Å; L658-G662 PolarHBondContact O-N 3.43Å; L658-A663 HydrophobicContact CB-CB 4.14Å; L658-A663 VanDerWaalsContact O-CB 3.25Å; L658-A663 WeakPolarHBondContact O-CB 3.48Å; L658-A663 PolarHBondContact O-N 3.28Å
659A95.3Very high95.3Very high18 Ų1844.9 Ų44.915%0.14925%0.253CS..Hα-helixtrans-60.7-42.1172.900000111.8V655 A661 G662 I665 L699V655-A659 WeakPolarHBondContact O-CB 3.26Å; V655-A659 PolarHBondContact O-N 3.14Å; A659-A661 PolarHBondContact O-N 2.84Å; A659-G662 PolarHBondContact O-N 3.3Å; A659-I665 HydrophobicContact CB-CD1 4.22Å; A659-L699 HydrophobicContact CB-CD1 3.86Å; A659-L699 HydrophobicContact CB-CD2 3.94Å; A659-L699 HydrophobicContact CB-CG 4.4Å
660A94.9Very high95.4Very high92 Ų9250.4 Ų50.476%0.7627%0.272SS*.Hα-helixtrans-67.2-15.1174.200000114.3E656 L658E656-A660 WeakPolarHBondContact O-CB 3.43Å; E656-A660 PolarHBondContact O-N 2.68Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.49Å
661A94.9Very high95.3Very high45 Ų4552.8 Ų52.837%0.37228%0.284SS..THydrogen-bonded Turntrans-93.31.4170.900000113.3L626 V632 M657 L658 A659L626-A661 HydrophobicContact CD1-CB 4.08Å; L626-A661 HydrophobicContact CD2-CB 3.88Å; L626-A661 HydrophobicContact CG-CB 4.47Å; V632-A661 HydrophobicContact CG1-CB 4.44Å; V632-A661 HydrophobicContact CG2-CB 4.14Å; M657-A661 WeakPolarHBondContact O-CB 3.24Å; M657-A661 PolarHBondContact O-N 3.24Å; L658-A661 CarbonylContact O-C 3.43Å; L658-A661 WeakPolarHBondContact O-CA 3.33Å; L658-A661 WeakPolarHBondContact O-CB 3.43Å; L658-A661 PolarHBondContact O-N 3.2Å; A659-A661 PolarHBondContact O-N 2.84Å
662G94.1Very high95.2Very high58 Ų5851 Ų5160%0.59828%0.278SS*.THydrogen-bonded Turntrans90.923.8177.800000115.5L658 A659L658-G662 PolarHBondContact O-N 3.43Å; A659-G662 PolarHBondContact O-N 3.3Å
663A95.8Very high95.2Very high10 Ų1051.2 Ų51.28%0.08327%0.272CS..  trans-57.1143.5174.200000112.9V632 D633 L643 L658 I665V632-A663 HydrophobicContact CG1-CB 3.58Å; D633-A663 WeakPolarHBondContact OD1-CA 3.03Å; L643-A663 HydrophobicContact CB-CB 4.45Å; L643-A663 HydrophobicContact CD1-CB 3.6Å; L658-A663 HydrophobicContact CB-CB 4.14Å; L658-A663 VanDerWaalsContact O-CB 3.25Å; L658-A663 WeakPolarHBondContact O-CB 3.48Å; L658-A663 PolarHBondContact O-N 3.28Å; A663-I665 PolarHBondContact O-N 3.33Å
664D95.6Very high95.2Very high70 Ų7043.8 Ų43.837%0.37424%0.244SC..  trans-71.9107.1166.3-179.312.2000109.7D633 D666 H667D633-D664 VanDerWaalsContact CG-N 3.31Å; D633-D664 PolarHBondContact OD1-N 2.91Å; D633-D664 PolarHBondContact OD2-N 2.88Å; D664-D666 PolarHBondContact OD1-N 3.02Å; D664-H667 HydrophobicContact CB-CB 4.07Å; D664-H667 WeakPolarHBondContact O-CB 3.45Å; D664-H667 PolarHBondContact OD1-N 3.5Å; D664-H667 VanDerWaalsContact OD1-N 3.15Å; D664-H667 VanDerWaalsContact OD2-CA 3.3Å; D664-H667 WeakPolarHBondContact OD2-CA 3.49Å; D664-H667 WeakPolarHBondContact OD2-CB 3.19Å; D664-H667 IonicContact OD2-CG 2.68Å; D664-H667 IonicContact OD2-ND1 3.11Å; D664-H667 PolarHBondContact OD2-ND1 3.14Å
665I95.3Very high95.1Very high30 Ų3043.7 Ų43.715%0.15424%0.244CC..THydrogen-bonded Turntrans-75.9-34.9-176.2-64.6164.5000111.1L643 A659 A663 H667 L696 L699 A701L643-I665 HydrophobicContact CD1-CG1 4.08Å; A659-I665 HydrophobicContact CB-CD1 4.22Å; A663-I665 PolarHBondContact O-N 3.33Å; I665-H667 VanDerWaalsContact C-N 3.31Å; I665-L696 HydrophobicContact CG2-CD2 4.45Å; I665-L699 HydrophobicContact CD1-CB 3.85Å; I665-L699 WeakPolarHBondContact CD1-O 3.45Å; I665-A701 HydrophobicContact CG2-CB 3.53Å
666D95.2Very high95Very high39 Ų3943.8 Ų43.821%0.20924%0.244CC..THydrogen-bonded Turntrans-96.914.7-177-75.7-12.6000112.3D664 R668 A701 T702 I705D664-D666 PolarHBondContact OD1-N 3.02Å; D666-R668 PolarHBondContact O-N 3.34Å; D666-A701 VanDerWaalsContact OD1-CA 3.28Å; D666-A701 WeakPolarHBondContact OD1-CA 3.45Å; D666-T702 PolarHBondContact OD1-N 3.11Å; D666-T702 WeakPolarHBondContact OD2-CB 3.5Å; D666-T702 VanDerWaalsContact OD2-CG2 3.32Å; D666-T702 WeakPolarHBondContact OD2-CG2 3.3Å; D666-T702 PolarHBondContact OD2-N 2.73Å; D666-T702 VanDerWaalsContact OD2-N 3.11Å; D666-T702 PolarHBondContact OD2-OG1 2.68Å; D666-I705 HydrophobicContact CB-CD1 3.73Å
667H95.8Very high95Very high26 Ų2639.4 Ų39.412%0.1222%0.224CC..  trans-51.7139.7173.7-159.670.9000111.3Q635 T641 M644 D664 I665 T674Q635-H667 VanDerWaalsContact CD-NE2 3.33Å; Q635-H667 WeakPolarHBondContact CG-NE2 3.12Å; Q635-H667 PolarHBondContact NE2-CE1 3.46Å; Q635-H667 PolarHBondContact NE2-NE2 3.09Å; T641-H667 HydrophobicContact CG2-CB 4.2Å; T641-H667 VanDerWaalsContact CG2-CD2 3.48Å; T641-H667 WeakPolarHBondContact CG2-CD2 3.44Å; M644-H667 HydrophobicContact CE-CB 4.13Å; M644-H667 WeakPolarHBondContact CE-O 3.33Å; D664-H667 HydrophobicContact CB-CB 4.07Å; D664-H667 WeakPolarHBondContact O-CB 3.45Å; D664-H667 PolarHBondContact OD1-N 3.5Å; D664-H667 VanDerWaalsContact OD1-N 3.15Å; D664-H667 VanDerWaalsContact OD2-CA 3.3Å; D664-H667 WeakPolarHBondContact OD2-CA 3.49Å; D664-H667 WeakPolarHBondContact OD2-CB 3.19Å; D664-H667 IonicContact OD2-CG 2.68Å; D664-H667 IonicContact OD2-ND1 3.11Å; D664-H667 PolarHBondContact OD2-ND1 3.14Å; I665-H667 VanDerWaalsContact C-N 3.31Å; H667-T674 WeakPolarHBondContact O-CA 3.28Å
668R95.6Very high94.9Very high120 Ų12038.1 Ų38.145%0.45322%0.219SC..  trans-111.2128.8-179.1-61.7-168.4-166.1-155.710.7111.6D666 G672 R673 T674 I705 T706D666-R668 PolarHBondContact O-N 3.34Å; R668-G672 WeakPolarHBondContact CD-O 3.25Å; R668-R673 WeakPolarHBondContact CA-O 3.35Å; R668-T674 HydrophobicContact CG-CG2 4.28Å; R668-I705 HydrophobicContact CG-CG2 4.3Å; R668-T706 PolarHBondContact NH1-O 3.16Å
669D94.8Very high94.8Very high19 Ų1938.1 Ų38.110%0.10222%0.219CC..  trans-72.7-177.117579.22.6000112.2R640 M644 D671 G672 R673R640-D669 HydrophobicContact CG-CB 3.88Å; M644-D669 HydrophobicContact CE-CB 4.14Å; M644-D669 HydrophobicContact SD-CB 4.1Å; D669-D671 PolarHBondContact O-N 2.8Å; D669-D671 WeakPolarHBondContact OD1-CA 3.43Å; D669-D671 WeakPolarHBondContact OD1-CB 3.45Å; D669-D671 PolarHBondContact OD1-N 3.22Å; D669-G672 WeakPolarHBondContact O-CA 3.48Å; D669-G672 PolarHBondContact O-N 3.01Å; D669-G672 PolarHBondContact OD1-N 3.27Å; D669-R673 PolarHBondContact N-O 2.82Å; D669-R673 PolarHBondContact OD1-N 2.97Å
670R94.1Very high94.6Very high148 Ų14837.3 Ų37.356%0.55821%0.212SC*.THydrogen-bonded Turntrans-64.8-17.1179.5-78.7-170.9-174.9-174.72.5114.7C637 E638 K708C637-R670 PolarHBondContact O-NE 3.02Å; C637-R670 PolarHBondContact O-NH1 3.29Å; C637-R670 PolarHBondContact O-NH2 2.69Å; E638-R670 WeakPolarHBondContact O-CB 3.33Å; E638-R670 WeakPolarHBondContact O-CG 3.4Å; E638-R670 PolarHBondContact O-N 3.47Å; R670-K708 WeakPolarHBondContact O-CE 3.32Å; R670-K708 PolarHBondContact O-NZ 3.06Å
671D92.7Very high94.3Very high54 Ų5436.9 Ų36.929%0.28920%0.195SC..THydrogen-bonded Turntrans-93.7-0.9171.7-72.5-4.5000111.8D669 R673 D707 K708D669-D671 PolarHBondContact O-N 2.8Å; D669-D671 WeakPolarHBondContact OD1-CA 3.43Å; D669-D671 WeakPolarHBondContact OD1-CB 3.45Å; D669-D671 PolarHBondContact OD1-N 3.22Å; D671-R673 HydrophobicContact CB-CG 4.26Å; D671-R673 VanDerWaalsContact CB-CZ 3.41Å; D671-R673 IonicContact OD2-CZ 3.49Å; D671-R673 IonicContact OD2-NH1 3.9Å; D671-R673 PolarHBondContact OD2-NH1 3.4Å; D671-R673 IonicContact OD2-NH2 2.85Å; D671-R673 PolarHBondContact OD2-NH2 2.84Å; D671-D707 WeakPolarHBondContact O-CB 3.39Å; D671-K708 WeakPolarHBondContact O-CB 3.15Å; D671-K708 WeakPolarHBondContact O-CG 3.4Å; D671-K708 PolarHBondContact O-N 3.02Å
672G92.9Very high93.8Very high8 Ų834.9 Ų34.98%0.08218%0.179CC..SBendtrans90.63.4-178.900000114.3R668 D669R668-G672 WeakPolarHBondContact CD-O 3.25Å; D669-G672 WeakPolarHBondContact O-CA 3.48Å; D669-G672 PolarHBondContact O-N 3.01Å; D669-G672 PolarHBondContact OD1-N 3.27Å
673R95Very high93.4Very high44 Ų4436.9 Ų36.917%0.16618%0.181CC..  trans-84.4140.3-170.1-56.3-172.8-166.5102.410.7112.3M644 R668 D669 D671 I677 V678 D707M644-R673 VanDerWaalsContact CE-O 3.29Å; M644-R673 WeakPolarHBondContact CE-O 3.34Å; R668-R673 WeakPolarHBondContact CA-O 3.35Å; D669-R673 PolarHBondContact N-O 2.82Å; D669-R673 PolarHBondContact OD1-N 2.97Å; D671-R673 HydrophobicContact CB-CG 4.26Å; D671-R673 VanDerWaalsContact CB-CZ 3.41Å; D671-R673 IonicContact OD2-CZ 3.49Å; D671-R673 IonicContact OD2-NH1 3.9Å; D671-R673 PolarHBondContact OD2-NH1 3.4Å; D671-R673 IonicContact OD2-NH2 2.85Å; D671-R673 PolarHBondContact OD2-NH2 2.84Å; R673-I677 HydrophobicContact CB-CB 4.1Å; R673-I677 HydrophobicContact CB-CD1 4.4Å; R673-I677 HydrophobicContact CB-CG2 3.88Å; R673-I677 HydrophobicContact CG-CG2 3.87Å; R673-V678 HydrophobicContact CB-CG2 4.07Å; R673-D707 HydrophobicContact CG-CB 3.75Å; R673-D707 IonicContact NE-OD2 2.67Å; R673-D707 IonicContact NH2-OD2 3.5Å
674T95.8Very high93.1Very high2 Ų237 Ų371%0.01218%0.181CC..  trans-87.6169.2172.260.40000112.3H667 R668 L676 I677 V678 I705H667-T674 WeakPolarHBondContact O-CA 3.28Å; R668-T674 HydrophobicContact CG-CG2 4.28Å; T674-L676 PolarHBondContact O-N 2.96Å; T674-L676 PolarHBondContact OG1-N 3.36Å; T674-I677 PolarHBondContact O-N 3.37Å; T674-I677 PolarHBondContact OG1-N 3.02Å; T674-V678 WeakPolarHBondContact O-CB 3.38Å; T674-V678 VanDerWaalsContact O-CG2 3.3Å; T674-V678 WeakPolarHBondContact O-CG2 3.46Å; T674-V678 PolarHBondContact O-N 3.12Å; T674-I705 HydrophobicContact CG2-CB 3.92Å; T674-I705 HydrophobicContact CG2-CD1 3.91Å; T674-I705 HydrophobicContact CG2-CG2 3.37Å
675A94.8Very high92.9Very high1 Ų138 Ų381%0.00819%0.191CC..Hα-helixtrans-54.1-35170.100000112.6L643 M644 A647 V678 V679 L696L643-A675 HydrophobicContact CD2-CB 3.39Å; M644-A675 HydrophobicContact CG-CB 4.17Å; A647-A675 HydrophobicContact CB-CB 4.22Å; A675-V678 PolarHBondContact O-N 2.96Å; A675-V679 VanDerWaalsContact O-CG2 3.24Å; A675-V679 WeakPolarHBondContact O-CG2 3.19Å; A675-V679 PolarHBondContact O-N 3.45Å; A675-V679 VanDerWaalsContact O-N 3.09Å; A675-L696 HydrophobicContact CB-CD1 4.26Å; A675-L696 HydrophobicContact CB-CD2 4.36Å
676L94.5Very high92.5Very high1 Ų141.2 Ų41.21%0.00521%0.205CC..Hα-helixtrans-66.4-44178.7-162.576.2000112T674 I693 L696 L697 A701 A703 V713 L729T674-L676 PolarHBondContact O-N 2.96Å; T674-L676 PolarHBondContact OG1-N 3.36Å; L676-I693 HydrophobicContact CD1-CD1 3.8Å; L676-I693 HydrophobicContact CD1-CG2 4.39Å; L676-I693 HydrophobicContact CG-CD1 4.21Å; L676-L696 HydrophobicContact CB-CD1 4.46Å; L676-L696 HydrophobicContact CD1-CB 3.66Å; L676-L696 HydrophobicContact CD1-CD1 4Å; L676-L697 HydrophobicContact CD1-CD2 4.23Å; L676-L697 HydrophobicContact CD1-CG 4.06Å; L676-L697 HydrophobicContact CD2-CD2 4Å; L676-A701 HydrophobicContact CD1-CB 4.47Å; L676-A703 HydrophobicContact CD2-CB 4.37Å; L676-V713 HydrophobicContact CD2-CB 4.26Å; L676-V713 HydrophobicContact CD2-CG1 3.97Å; L676-V713 HydrophobicContact CD2-CG2 4.18Å; L676-V713 HydrophobicContact CG-CG2 4.04Å; L676-L729 HydrophobicContact CD2-CD2 4.18Å
677I95.1Very high92.3Very high0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-62.6-50.5172.2-68.2167.4000110.4R673 T674 V679 T680 M681 V713 F716R673-I677 HydrophobicContact CB-CB 4.1Å; R673-I677 HydrophobicContact CB-CD1 4.4Å; R673-I677 HydrophobicContact CB-CG2 3.88Å; R673-I677 HydrophobicContact CG-CG2 3.87Å; T674-I677 PolarHBondContact O-N 3.37Å; T674-I677 PolarHBondContact OG1-N 3.02Å; I677-V679 PolarHBondContact O-N 2.96Å; I677-V679 VanDerWaalsContact O-N 3.13Å; I677-T680 PolarHBondContact O-N 3.29Å; I677-T680 PolarHBondContact O-OG1 3.48Å; I677-M681 HydrophobicContact CG2-SD 4.32Å; I677-V713 HydrophobicContact CG1-CB 3.98Å; I677-V713 HydrophobicContact CG1-CG2 4.43Å; I677-F716 HydrophobicContact CD1-CE2 4.42Å; I677-F716 HydrophobicContact CG1-CD2 4.34Å; I677-F716 HydrophobicContact CG2-CD1 4.44Å; I677-F716 HydrophobicContact CG2-CD2 3.57Å; I677-F716 HydrophobicContact CG2-CE1 4.48Å; I677-F716 HydrophobicContact CG2-CE2 3.61Å; I677-F716 HydrophobicContact CG2-CG 4.01Å; I677-F716 HydrophobicContact CG2-CZ 4.1Å
678V93.5Very high92.1Very high16 Ų1650.8 Ų50.810%0.09724%0.244CC..Hα-helixtrans-59-29-175.9168.80000112.7F648 R673 T674 A675 G682F648-V678 HydrophobicContact CB-CG1 3.85Å; F648-V678 HydrophobicContact CD2-CG1 3.66Å; F648-V678 HydrophobicContact CG-CG1 4.19Å; R673-V678 HydrophobicContact CB-CG2 4.07Å; T674-V678 WeakPolarHBondContact O-CB 3.38Å; T674-V678 VanDerWaalsContact O-CG2 3.3Å; T674-V678 WeakPolarHBondContact O-CG2 3.46Å; T674-V678 PolarHBondContact O-N 3.12Å; A675-V678 PolarHBondContact O-N 2.96Å; V678-G682 PolarHBondContact O-N 2.95Å
679V94.5Very high92Very high0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-67.6-34.5174.2166.80000113.2A647 A675 I677 G682 L684 R689 M692 I693 L696A647-V679 HydrophobicContact CB-CG2 3.58Å; A675-V679 VanDerWaalsContact O-CG2 3.24Å; A675-V679 WeakPolarHBondContact O-CG2 3.19Å; A675-V679 PolarHBondContact O-N 3.45Å; A675-V679 VanDerWaalsContact O-N 3.09Å; I677-V679 PolarHBondContact O-N 2.96Å; I677-V679 VanDerWaalsContact O-N 3.13Å; V679-G682 PolarHBondContact O-N 3.36Å; V679-L684 HydrophobicContact CG1-CD1 4.18Å; V679-R689 HydrophobicContact CG1-CG 3.77Å; V679-R689 PolarHBondContact O-NE 3.12Å; V679-M692 HydrophobicContact CB-CG 4.45Å; V679-M692 HydrophobicContact CG1-CB 4.11Å; V679-M692 HydrophobicContact CG1-CG 3.97Å; V679-M692 HydrophobicContact CG2-CG 3.55Å; V679-I693 HydrophobicContact CB-CD1 3.96Å; V679-I693 HydrophobicContact CG1-CD1 3.56Å; V679-I693 HydrophobicContact CG1-CG1 3.77Å; V679-L696 HydrophobicContact CG2-CD1 3.91Å
680T92.4Very high92Very high1 Ų148.3 Ų48.31%0.00624%0.236CC..Hα-helixtrans-62.7-48178.165.10000110.8I677 G682 R689 I693 V713 F716 A717 L722 V725I677-T680 PolarHBondContact O-N 3.29Å; I677-T680 PolarHBondContact O-OG1 3.48Å; T680-G682 PolarHBondContact O-N 3Å; T680-R689 PolarHBondContact O-NE 2.73Å; T680-R689 VanDerWaalsContact O-NE 3.1Å; T680-I693 HydrophobicContact CG2-CD1 4.46Å; T680-V713 HydrophobicContact CG2-CG2 3.76Å; T680-F716 VanDerWaalsContact OG1-CB 3.26Å; T680-F716 WeakPolarHBondContact OG1-CB 3.26Å; T680-A717 HydrophobicContact CG2-CB 4.34Å; T680-L722 HydrophobicContact CG2-CD1 4.48Å; T680-V725 HydrophobicContact CG2-CG1 4.48Å
681M88.5Confident92Very high82 Ų8243.3 Ų43.340%0.40423%0.225SC..THydrogen-bonded Turntrans-70.2-7.5177.6-51.1175.581.500114.1I677 F716I677-M681 HydrophobicContact CG2-SD 4.32Å; M681-F716 HydrophobicContact CE-CD1 4.49Å; M681-F716 HydrophobicContact CE-CE1 4.21Å; M681-F716 HydrophobicContact CG-CD1 4.1Å; M681-F716 HydrophobicContact SD-CD1 4.1Å; M681-F716 HydrophobicContact SD-CE1 4.04Å
682G84.3Confident92.1Very high4 Ų440.7 Ų40.74%0.04121%0.212CC..SBendtrans-75151-174.300000113.8V678 V679 T680 L684 R689V678-G682 PolarHBondContact O-N 2.95Å; V679-G682 PolarHBondContact O-N 3.36Å; T680-G682 PolarHBondContact O-N 3Å; G682-L684 PolarHBondContact O-N 3.44Å; G682-R689 PolarHBondContact O-NH2 3.44Å
683P84.5Confident92.2Very high99 Ų9940.3 Ų40.364%0.64321%0.208SC*.  trans-76.543.8179.935-38.3000112.6F648F648-P683 HydrophobicContact CE1-CG 4.18Å; F648-P683 VanDerWaalsContact CZ-CD 3.47Å; F648-P683 HydrophobicContact CZ-CG 4.33Å
684L89.9Confident92.2Very high13 Ų1342.5 Ų42.57%0.06822%0.22CC..  trans-92.5138-173.3-61.1179.8000111.6F648 V679 G682 K688 R689F648-L684 WeakPolarHBondContact O-CD2 3.32Å; V679-L684 HydrophobicContact CG1-CD1 4.18Å; G682-L684 PolarHBondContact O-N 3.44Å; L684-K688 HydrophobicContact CD2-CD 4.2Å; L684-R689 HydrophobicContact CB-CB 3.93Å; L684-R689 HydrophobicContact CD1-CB 4.23Å; L684-R689 HydrophobicContact CD1-CG 4.36Å; L684-R689 PolarHBondContact O-NH1 3.34Å; L684-R689 PolarHBondContact O-NH2 3.21Å
685P90.8Very high92.1Very high90 Ų9043.1 Ų43.158%0.58422%0.223SC*.  trans-57.7141.6160.2-21.633.3000110K687 K688 R689P685-K687 PolarHBondContact O-N 3.14Å; P685-K688 WeakPolarHBondContact O-CA 3.48Å; P685-K688 WeakPolarHBondContact O-CB 3.45Å; P685-K688 PolarHBondContact O-N 3.31Å; P685-R689 PolarHBondContact O-N 3.27Å
686E88.2Confident92.2Very high99 Ų9943 Ų4346%0.46322%0.222SC..Hα-helixtrans-47.4-52.5-172.9-179.5169.5-13700114K688 R689 K690E686-K688 PolarHBondContact O-N 2.86Å; E686-R689 WeakPolarHBondContact O-CB 3.37Å; E686-R689 PolarHBondContact O-N 2.72Å; E686-K690 PolarHBondContact O-N 3Å
687K90.3Very high92.1Very high182 Ų18244.2 Ų44.279%0.79123%0.228SC*.Hα-helixtrans-56.6-33.6177.2-59.4-171.9179.7-173.70113.4P685 A691P685-K687 PolarHBondContact O-N 3.14Å; K687-A691 WeakPolarHBondContact O-CB 3.45Å; K687-A691 PolarHBondContact O-N 3.4Å
688K92.3Very high92Very high83 Ų8351.9 Ų51.936%0.36126%0.262SS..Hα-helixtrans-79.1-35.2177.6-159.5-177.5-171.8-150.10111.7N649 G650 L684 P685 E686 M692N649-K688 PolarHBondContact O-NZ 3.45Å; G650-K688 WeakPolarHBondContact O-CE 3.38Å; G650-K688 PolarHBondContact O-NZ 3.28Å; L684-K688 HydrophobicContact CD2-CD 4.2Å; P685-K688 WeakPolarHBondContact O-CA 3.48Å; P685-K688 WeakPolarHBondContact O-CB 3.45Å; P685-K688 PolarHBondContact O-N 3.31Å; E686-K688 PolarHBondContact O-N 2.86Å; K688-M692 PolarHBondContact O-N 3.44Å
689R94Very high92Very high29 Ų2953.4 Ų53.411%0.10927%0.269CS..Hα-helixtrans-64.1-50.5172.6-167.4-174.8-74.696.15.7110.6V679 T680 G682 L684 P685 E686 A691 M692 I693 L722 V725V679-R689 HydrophobicContact CG1-CG 3.77Å; V679-R689 PolarHBondContact O-NE 3.12Å; T680-R689 PolarHBondContact O-NE 2.73Å; T680-R689 VanDerWaalsContact O-NE 3.1Å; G682-R689 PolarHBondContact O-NH2 3.44Å; L684-R689 HydrophobicContact CB-CB 3.93Å; L684-R689 HydrophobicContact CD1-CB 4.23Å; L684-R689 HydrophobicContact CD1-CG 4.36Å; L684-R689 PolarHBondContact O-NH1 3.34Å; L684-R689 PolarHBondContact O-NH2 3.21Å; P685-R689 PolarHBondContact O-N 3.27Å; E686-R689 WeakPolarHBondContact O-CB 3.37Å; E686-R689 PolarHBondContact O-N 2.72Å; R689-A691 PolarHBondContact O-N 2.99Å; R689-M692 WeakPolarHBondContact O-CB 3.44Å; R689-M692 PolarHBondContact O-N 2.99Å; R689-M692 VanDerWaalsContact O-N 3.1Å; R689-I693 WeakPolarHBondContact O-CG1 3.33Å; R689-I693 PolarHBondContact O-N 3.44Å; R689-L722 VanDerWaalsContact CD-CD1 3.45Å; R689-V725 HydrophobicContact CG-CG2 4.45Å
690K93.1Very high91.8Very high59 Ų5961 Ų6126%0.25731%0.307SS..Hα-helixtrans-53.1-55.1175.8169.1157.2174.4161.60112.4E686 M692 I693 E694 E724 I728E686-K690 PolarHBondContact O-N 3Å; K690-M692 PolarHBondContact O-N 2.88Å; K690-M692 VanDerWaalsContact O-N 3.13Å; K690-I693 PolarHBondContact O-N 3.1Å; K690-I693 VanDerWaalsContact O-N 3.07Å; K690-E694 WeakPolarHBondContact CE-OE1 3.37Å; K690-E694 HydrophobicContact CG-CG 4.3Å; K690-E694 WeakPolarHBondContact CG-OE1 3.29Å; K690-E694 WeakPolarHBondContact O-CG 3.48Å; K690-E694 PolarHBondContact O-N 3.33Å; K690-E724 HydrophobicContact CD-CB 4.24Å; K690-E724 WeakPolarHBondContact CD-OE2 3.49Å; K690-E724 WeakPolarHBondContact CE-OE2 3.26Å; K690-E724 IonicContact NZ-OE2 2.76Å; K690-E724 PolarHBondContact NZ-OE2 2.9Å; K690-I728 HydrophobicContact CD-CD1 3.79Å; K690-I728 HydrophobicContact CG-CD1 3.7Å
691A94.1Very high91.8Very high42 Ų4261.4 Ų61.435%0.34731%0.31SS..Hα-helixtrans-60.6-25.3179.300000113.6K687 R689 L695K687-A691 WeakPolarHBondContact O-CB 3.45Å; K687-A691 PolarHBondContact O-N 3.4Å; R689-A691 PolarHBondContact O-N 2.99Å; A691-L695 VanDerWaalsContact O-CB 3.27Å; A691-L695 WeakPolarHBondContact O-CB 3.41Å; A691-L695 PolarHBondContact O-N 3.42Å
692M95.4Very high91.9Very high0 Ų060.6 Ų60.60%031%0.31CS..Hα-helixtrans-80.2-40.3173.4-176.557.774.500112.5A647 V655 V679 K688 R689 K690 L695 L696A647-M692 HydrophobicContact CB-CG 4.45Å; A647-M692 HydrophobicContact CB-SD 4.29Å; V655-M692 HydrophobicContact CB-CE 4.4Å; V655-M692 HydrophobicContact CB-SD 4.28Å; V655-M692 HydrophobicContact CG1-SD 4.33Å; V655-M692 HydrophobicContact CG2-CE 3.72Å; V655-M692 HydrophobicContact CG2-SD 3.83Å; V679-M692 HydrophobicContact CB-CG 4.45Å; V679-M692 HydrophobicContact CG1-CB 4.11Å; V679-M692 HydrophobicContact CG1-CG 3.97Å; V679-M692 HydrophobicContact CG2-CG 3.55Å; K688-M692 PolarHBondContact O-N 3.44Å; R689-M692 WeakPolarHBondContact O-CB 3.44Å; R689-M692 PolarHBondContact O-N 2.99Å; R689-M692 VanDerWaalsContact O-N 3.1Å; K690-M692 PolarHBondContact O-N 2.88Å; K690-M692 VanDerWaalsContact O-N 3.13Å; M692-L695 PolarHBondContact O-N 2.81Å; M692-L695 HydrophobicContact SD-CD2 4.19Å; M692-L696 HydrophobicContact CG-CD1 4.32Å; M692-L696 WeakPolarHBondContact O-CG 3.34Å; M692-L696 PolarHBondContact O-N 3.37Å; M692-L696 HydrophobicContact SD-CD1 4.49Å; M692-L696 HydrophobicContact SD-CG 4.29Å
693I94.7Very high92.1Very high0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-62-48.1173.1-66.8-65.7000110.6L676 V679 T680 R689 K690 L695 L696 L697 V725 I728L676-I693 HydrophobicContact CD1-CD1 3.8Å; L676-I693 HydrophobicContact CD1-CG2 4.39Å; L676-I693 HydrophobicContact CG-CD1 4.21Å; V679-I693 HydrophobicContact CB-CD1 3.96Å; V679-I693 HydrophobicContact CG1-CD1 3.56Å; V679-I693 HydrophobicContact CG1-CG1 3.77Å; T680-I693 HydrophobicContact CG2-CD1 4.46Å; R689-I693 WeakPolarHBondContact O-CG1 3.33Å; R689-I693 PolarHBondContact O-N 3.44Å; K690-I693 PolarHBondContact O-N 3.1Å; K690-I693 VanDerWaalsContact O-N 3.07Å; I693-L695 VanDerWaalsContact C-N 3.28Å; I693-L695 PolarHBondContact O-N 3.14Å; I693-L696 PolarHBondContact O-N 3.16Å; I693-L697 HydrophobicContact CG2-CD1 3.59Å; I693-L697 HydrophobicContact CG2-CG 4.39Å; I693-L697 WeakPolarHBondContact O-CB 3.49Å; I693-L697 VanDerWaalsContact O-CG 3.3Å; I693-L697 WeakPolarHBondContact O-CG 3.27Å; I693-L697 PolarHBondContact O-N 3.4Å; I693-V725 HydrophobicContact CD1-CG1 4.39Å; I693-V725 HydrophobicContact CG1-CG1 4.01Å; I693-V725 HydrophobicContact CG1-CG2 4.37Å; I693-V725 HydrophobicContact CG2-CG1 4.34Å; I693-I728 HydrophobicContact CG2-CG2 4.08Å
694E94.7Very high92.2Very high89 Ų8960.1 Ų60.142%0.41630%0.302SS..Hα-helixtrans-58-39.7175.4-70.6174.3171.400112.1K690 K698 I728K690-E694 WeakPolarHBondContact CE-OE1 3.37Å; K690-E694 HydrophobicContact CG-CG 4.3Å; K690-E694 WeakPolarHBondContact CG-OE1 3.29Å; K690-E694 WeakPolarHBondContact O-CG 3.48Å; K690-E694 PolarHBondContact O-N 3.33Å; E694-K698 WeakPolarHBondContact O-CB 3.49Å; E694-K698 PolarHBondContact O-N 3.5Å; E694-I728 HydrophobicContact CG-CD1 3.92Å
695L95.5Very high92.3Very high15 Ų1560.5 Ų60.58%0.07930%0.304CS..Hα-helixtrans-66.2-49.1176.1174.261.2000112.1S652 V655 E656 A691 M692 I693 L697 K698 L699S652-L695 WeakPolarHBondContact O-CD2 3.27Å; V655-L695 HydrophobicContact CB-CD2 4.09Å; V655-L695 HydrophobicContact CG1-CD2 4.09Å; V655-L695 HydrophobicContact CG1-CG 4.47Å; E656-L695 HydrophobicContact CG-CD1 3.71Å; E656-L695 HydrophobicContact CG-CD2 4.05Å; A691-L695 VanDerWaalsContact O-CB 3.27Å; A691-L695 WeakPolarHBondContact O-CB 3.41Å; A691-L695 PolarHBondContact O-N 3.42Å; M692-L695 PolarHBondContact O-N 2.81Å; M692-L695 HydrophobicContact SD-CD2 4.19Å; I693-L695 VanDerWaalsContact C-N 3.28Å; I693-L695 PolarHBondContact O-N 3.14Å; L695-L697 PolarHBondContact O-N 3.03Å; L695-K698 WeakPolarHBondContact O-CB 3.26Å; L695-K698 PolarHBondContact O-N 3.34Å; L695-L699 HydrophobicContact CD1-CD1 3.82Å; L695-L699 HydrophobicContact CD1-CG 4.09Å; L695-L699 HydrophobicContact CG-CD1 3.93Å; L695-L699 VanDerWaalsContact O-CG 3.27Å; L695-L699 WeakPolarHBondContact O-CG 3.38Å; L695-L699 PolarHBondContact O-N 3.12Å
696L95Very high92.5Very high0 Ų058.6 Ų58.60%029%0.291CS..Hα-helixtrans-62.1-43.5179.9-72.1172.1000111.5L643 A647 V655 I665 A675 L676 V679 M692 I693 K698 L699 M700 A701L643-L696 HydrophobicContact CD2-CD2 4.04Å; A647-L696 HydrophobicContact CB-CD1 4.36Å; V655-L696 HydrophobicContact CG1-CD2 3.78Å; I665-L696 HydrophobicContact CG2-CD2 4.45Å; A675-L696 HydrophobicContact CB-CD1 4.26Å; A675-L696 HydrophobicContact CB-CD2 4.36Å; L676-L696 HydrophobicContact CB-CD1 4.46Å; L676-L696 HydrophobicContact CD1-CB 3.66Å; L676-L696 HydrophobicContact CD1-CD1 4Å; V679-L696 HydrophobicContact CG2-CD1 3.91Å; M692-L696 HydrophobicContact CG-CD1 4.32Å; M692-L696 WeakPolarHBondContact O-CG 3.34Å; M692-L696 PolarHBondContact O-N 3.37Å; M692-L696 HydrophobicContact SD-CD1 4.49Å; M692-L696 HydrophobicContact SD-CG 4.29Å; I693-L696 PolarHBondContact O-N 3.16Å; L696-K698 VanDerWaalsContact C-N 3.34Å; L696-K698 PolarHBondContact O-N 2.71Å; L696-L699 CarbonylContact O-C 3.59Å; L696-L699 WeakPolarHBondContact O-CA 3.05Å; L696-L699 PolarHBondContact O-N 3.29Å; L696-L699 VanDerWaalsContact O-N 3.08Å; L696-M700 PolarHBondContact O-N 3.1Å; L696-A701 HydrophobicContact CB-CB 4.06Å; L696-A701 VanDerWaalsContact O-CB 3.24Å; L696-A701 WeakPolarHBondContact O-CB 3.36Å; L696-A701 PolarHBondContact O-N 3.07Å
697L92.9Very high92.8Very high25 Ų2554.3 Ų54.313%0.13127%0.271CS..Hα-helixtrans-65.8-35.2175.8-66166.8000112.1L676 I693 L695 L699 M700 I728 L729 K732L676-L697 HydrophobicContact CD1-CD2 4.23Å; L676-L697 HydrophobicContact CD1-CG 4.06Å; L676-L697 HydrophobicContact CD2-CD2 4Å; I693-L697 HydrophobicContact CG2-CD1 3.59Å; I693-L697 HydrophobicContact CG2-CG 4.39Å; I693-L697 WeakPolarHBondContact O-CB 3.49Å; I693-L697 VanDerWaalsContact O-CG 3.3Å; I693-L697 WeakPolarHBondContact O-CG 3.27Å; I693-L697 PolarHBondContact O-N 3.4Å; L695-L697 PolarHBondContact O-N 3.03Å; L697-L699 VanDerWaalsContact C-N 3.27Å; L697-L699 PolarHBondContact O-N 3.2Å; L697-M700 PolarHBondContact O-N 2.92Å; L697-I728 HydrophobicContact CD1-CG2 3.67Å; L697-L729 HydrophobicContact CD1-CD2 4.27Å; L697-K732 HydrophobicContact CD1-CG 4.19Å
698K93.7Very high92.9Very high162 Ų16252.4 Ų52.470%0.70426%0.263SS*.Hα-helixtrans-66.7-27.5171.6178.2-174.7172.1-165.50112.7E694 L695 L696E694-K698 WeakPolarHBondContact O-CB 3.49Å; E694-K698 PolarHBondContact O-N 3.5Å; L695-K698 WeakPolarHBondContact O-CB 3.26Å; L695-K698 PolarHBondContact O-N 3.34Å; L696-K698 VanDerWaalsContact C-N 3.34Å; L696-K698 PolarHBondContact O-N 2.71Å
699L93.2Very high92.8Very high48 Ų4851.1 Ų51.125%0.25126%0.258SS..THydrogen-bonded Turntrans-84.88.1174.3-65.6168.1000112.9V655 A659 I665 L695 L696 L697V655-L699 HydrophobicContact CG1-CD1 3.92Å; A659-L699 HydrophobicContact CB-CD1 3.86Å; A659-L699 HydrophobicContact CB-CD2 3.94Å; A659-L699 HydrophobicContact CB-CG 4.4Å; I665-L699 HydrophobicContact CD1-CB 3.85Å; I665-L699 WeakPolarHBondContact CD1-O 3.45Å; L695-L699 HydrophobicContact CD1-CD1 3.82Å; L695-L699 HydrophobicContact CD1-CG 4.09Å; L695-L699 HydrophobicContact CG-CD1 3.93Å; L695-L699 VanDerWaalsContact O-CG 3.27Å; L695-L699 WeakPolarHBondContact O-CG 3.38Å; L695-L699 PolarHBondContact O-N 3.12Å; L696-L699 CarbonylContact O-C 3.59Å; L696-L699 WeakPolarHBondContact O-CA 3.05Å; L696-L699 PolarHBondContact O-N 3.29Å; L696-L699 VanDerWaalsContact O-N 3.08Å; L697-L699 VanDerWaalsContact C-N 3.27Å; L697-L699 PolarHBondContact O-N 3.2Å
700M90.9Very high92.8Very high159 Ų15950.5 Ų50.578%0.78326%0.26SS*.THydrogen-bonded Turntrans74.425.8-180-51-67.8-64.200115.9L696 L697 T702L696-M700 PolarHBondContact O-N 3.1Å; L697-M700 PolarHBondContact O-N 2.92Å; M700-T702 PolarHBondContact O-N 2.79Å
701A92Very high92.8Very high9 Ų949.6 Ų49.67%0.07426%0.255CS..  trans-59.2133.6168.700000111.6I665 D666 L676 L696I665-A701 HydrophobicContact CG2-CB 3.53Å; D666-A701 VanDerWaalsContact OD1-CA 3.28Å; D666-A701 WeakPolarHBondContact OD1-CA 3.45Å; L676-A701 HydrophobicContact CD1-CB 4.47Å; L696-A701 HydrophobicContact CB-CB 4.06Å; L696-A701 VanDerWaalsContact O-CB 3.24Å; L696-A701 WeakPolarHBondContact O-CB 3.36Å; L696-A701 PolarHBondContact O-N 3.07Å
702T91Very high92.9Very high66 Ų6647.7 Ų47.741%0.40524%0.24SC..  trans-83.3132.1177.253.90000111.8D666 M700 I705D666-T702 PolarHBondContact OD1-N 3.11Å; D666-T702 WeakPolarHBondContact OD2-CB 3.5Å; D666-T702 VanDerWaalsContact OD2-CG2 3.32Å; D666-T702 WeakPolarHBondContact OD2-CG2 3.3Å; D666-T702 PolarHBondContact OD2-N 2.73Å; D666-T702 VanDerWaalsContact OD2-N 3.11Å; D666-T702 PolarHBondContact OD2-OG1 2.68Å; M700-T702 PolarHBondContact O-N 2.79Å; T702-I705 WeakPolarHBondContact OG1-CD1 3.5Å; T702-I705 WeakPolarHBondContact OG1-CG1 3.08Å
703A87.8Confident92.8Very high9 Ų947.8 Ų47.87%0.07424%0.24CC..SBendtrans-79.7-36.7-174.400000112.9L676 I705 V713 L729 A734L676-A703 HydrophobicContact CD2-CB 4.37Å; A703-I705 PolarHBondContact O-N 2.61Å; A703-V713 HydrophobicContact CB-CG1 4.18Å; A703-V713 VanDerWaalsContact O-CG1 3.24Å; A703-V713 WeakPolarHBondContact O-CG1 2.94Å; A703-L729 HydrophobicContact CB-CD2 4.34Å; A703-A734 HydrophobicContact CB-CB 3.72Å
704D86.9Confident92.9Very high84 Ų8447.8 Ų47.845%0.44924%0.24SC..  trans-83.57.2-169.3-45.9-70.5000113.6T706 A734 D735D704-T706 PolarHBondContact O-N 3.13Å; D704-A734 VanDerWaalsContact OD1-CA 3.3Å; D704-A734 WeakPolarHBondContact OD1-CA 3.25Å; D704-D735 PolarHBondContact OD1-N 3.06Å
705I92.4Very high92.9Very high20 Ų2043.6 Ų43.610%0.10322%0.22CC..  trans-64.8123.9168.9-74.6-178.7000109.7D666 R668 T674 T702 A703D666-I705 HydrophobicContact CB-CD1 3.73Å; R668-I705 HydrophobicContact CG-CG2 4.3Å; T674-I705 HydrophobicContact CG2-CB 3.92Å; T674-I705 HydrophobicContact CG2-CD1 3.91Å; T674-I705 HydrophobicContact CG2-CG2 3.37Å; T702-I705 WeakPolarHBondContact OG1-CD1 3.5Å; T702-I705 WeakPolarHBondContact OG1-CG1 3.08Å; A703-I705 PolarHBondContact O-N 2.61Å
706T94.2Very high92.9Very high50 Ų5043.7 Ų43.731%0.30722%0.22SC..  trans-93.1148.1176.152.90000112.7R668 D704 G710 R711R668-T706 PolarHBondContact NH1-O 3.16Å; D704-T706 PolarHBondContact O-N 3.13Å; T706-G710 WeakPolarHBondContact CG2-O 3.46Å; T706-R711 WeakPolarHBondContact CA-O 3.21Å
707D93.9Very high92.9Very high9 Ų943.7 Ų43.75%0.04822%0.22CC..  trans-77.1-178.9165.395.1-25000111.8D671 R673 Q709 G710 R711 F716D671-D707 WeakPolarHBondContact O-CB 3.39Å; R673-D707 HydrophobicContact CG-CB 3.75Å; R673-D707 IonicContact NE-OD2 2.67Å; R673-D707 IonicContact NH2-OD2 3.5Å; D707-Q709 PolarHBondContact O-N 3.16Å; D707-Q709 VanDerWaalsContact O-N 3.11Å; D707-Q709 WeakPolarHBondContact OD1-CA 3.46Å; D707-Q709 PolarHBondContact OD1-N 2.97Å; D707-G710 PolarHBondContact O-N 2.83Å; D707-R711 PolarHBondContact N-O 3.13Å; D707-R711 PolarHBondContact OD1-N 2.9Å; D707-F716 HydrophobicContact CB-CE2 4.41Å; D707-F716 HydrophobicContact CB-CZ 4.46Å; D707-F716 WeakPolarHBondContact OD2-CZ 3.26Å
708K92.9Very high93.1Very high143 Ų14342.5 Ų42.562%0.62221%0.214SC*.THydrogen-bonded Turntrans-64.2-9.1-179.6-81-178.2173.9175.40115.7R670 D671R670-K708 WeakPolarHBondContact O-CE 3.32Å; R670-K708 PolarHBondContact O-NZ 3.06Å; D671-K708 WeakPolarHBondContact O-CB 3.15Å; D671-K708 WeakPolarHBondContact O-CG 3.4Å; D671-K708 PolarHBondContact O-N 3.02Å
709Q91.6Very high93.1Very high56 Ų5637.3 Ų37.326%0.26219%0.194SC..THydrogen-bonded Turntrans-103.213.2173.5-61.2-175.8-5.100111.5D707 R711 D740 E741 L1138D707-Q709 PolarHBondContact O-N 3.16Å; D707-Q709 VanDerWaalsContact O-N 3.11Å; D707-Q709 WeakPolarHBondContact OD1-CA 3.46Å; D707-Q709 PolarHBondContact OD1-N 2.97Å; Q709-R711 VanDerWaalsContact C-N 3.29Å; Q709-R711 PolarHBondContact O-N 2.88Å; Q709-D740 WeakPolarHBondContact O-CB 3.33Å; Q709-E741 PolarHBondContact O-N 3.42Å; Q709-L1138 HydrophobicContact CG-CD2 4.31Å
710G92.6Very high93.1Very high15 Ų1539.2 Ų39.216%0.15520%0.202CC..SBendtrans79.64-176.800000114.3T706 D707 S712T706-G710 WeakPolarHBondContact CG2-O 3.46Å; D707-G710 PolarHBondContact O-N 2.83Å; G710-S712 PolarHBondContact O-N 3.48Å
711R94.3Very high93.2Very high40 Ų4032.8 Ų32.815%0.15118%0.176CC..  trans-84.9115.2-171.8-67.3-169.5-173.9113.722.3112.5T706 D707 Q709 H715 F716 D740T706-R711 WeakPolarHBondContact CA-O 3.21Å; D707-R711 PolarHBondContact N-O 3.13Å; D707-R711 PolarHBondContact OD1-N 2.9Å; Q709-R711 VanDerWaalsContact C-N 3.29Å; Q709-R711 PolarHBondContact O-N 2.88Å; R711-H715 HydrophobicContact CB-CB 3.89Å; R711-H715 HydrophobicContact CG-CB 4.14Å; R711-F716 HydrophobicContact CB-CD2 4.25Å; R711-F716 HydrophobicContact CB-CE2 3.57Å; R711-F716 HydrophobicContact CB-CZ 4.03Å; R711-D740 HydrophobicContact CG-CB 3.65Å; R711-D740 IonicContact CZ-OD2 2.96Å; R711-D740 IonicContact NE-OD2 3.02Å; R711-D740 PolarHBondContact NE-OD2 3.11Å; R711-D740 IonicContact NH2-OD2 2.7Å; R711-D740 PolarHBondContact NH2-OD2 2.94Å
712S94.6Very high93.4Very high3 Ų333.1 Ų33.12%0.02118%0.176CC..  trans-69.5167.3168.370.70000111.8G710 L714 H715 F716G710-S712 PolarHBondContact O-N 3.48Å; S712-L714 PolarHBondContact O-N 2.88Å; S712-L714 VanDerWaalsContact O-N 3.14Å; S712-H715 PolarHBondContact N-ND1 2.96Å; S712-H715 WeakPolarHBondContact O-CB 3.42Å; S712-H715 PolarHBondContact O-N 3.41Å; S712-H715 VanDerWaalsContact O-N 3.08Å; S712-H715 PolarHBondContact OG-ND1 3Å; S712-F716 WeakPolarHBondContact O-CD2 3.28Å
713V95.1Very high93.5Very high1 Ų132.3 Ų32.31%0.00617%0.171CC..Hα-helixtrans-55.1-32.1176.167.30000113.6L676 I677 T680 A703 H715 F716 A717 L729L676-V713 HydrophobicContact CD2-CB 4.26Å; L676-V713 HydrophobicContact CD2-CG1 3.97Å; L676-V713 HydrophobicContact CD2-CG2 4.18Å; L676-V713 HydrophobicContact CG-CG2 4.04Å; I677-V713 HydrophobicContact CG1-CB 3.98Å; I677-V713 HydrophobicContact CG1-CG2 4.43Å; T680-V713 HydrophobicContact CG2-CG2 3.76Å; A703-V713 HydrophobicContact CB-CG1 4.18Å; A703-V713 VanDerWaalsContact O-CG1 3.24Å; A703-V713 WeakPolarHBondContact O-CG1 2.94Å; V713-H715 VanDerWaalsContact C-N 3.32Å; V713-H715 PolarHBondContact O-N 3.13Å; V713-F716 PolarHBondContact O-N 3.5Å; V713-A717 PolarHBondContact O-N 2.84Å; V713-L729 HydrophobicContact CG1-CD1 3.87Å; V713-L729 HydrophobicContact CG1-CD2 3.53Å; V713-L729 HydrophobicContact CG1-CG 4.29Å; V713-L729 HydrophobicContact CG2-CD1 4.03Å; V713-L729 HydrophobicContact CG2-CD2 4.31Å
714L95.7Very high93.8Very high0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-67.6-32.4-179.5-17160.8000111.9S712 A717 A718 C726 L729 I730 D735 L736 P746 L762S712-L714 PolarHBondContact O-N 2.88Å; S712-L714 VanDerWaalsContact O-N 3.14Å; L714-A717 PolarHBondContact O-N 3.3Å; L714-A718 WeakPolarHBondContact O-CB 3.04Å; L714-A718 PolarHBondContact O-N 3.03Å; L714-C726 HydrophobicContact CD1-CB 4.02Å; L714-L729 HydrophobicContact CD1-CB 4.31Å; L714-L729 HydrophobicContact CD1-CD1 4.19Å; L714-I730 HydrophobicContact CD1-CD1 4.41Å; L714-I730 HydrophobicContact CD1-CG1 4.24Å; L714-I730 HydrophobicContact CD2-CG1 4.13Å; L714-D735 WeakPolarHBondContact CD2-O 3.48Å; L714-L736 HydrophobicContact CD2-CD1 4.38Å; L714-P746 HydrophobicContact CB-CG 4.27Å; L714-P746 HydrophobicContact CD2-CB 4.3Å; L714-P746 HydrophobicContact CD2-CG 4.09Å; L714-P746 HydrophobicContact CG-CB 3.99Å; L714-P746 HydrophobicContact CG-CG 4Å; L714-L762 HydrophobicContact CD2-CD2 4.41Å
715H95.7Very high94.1Very high1 Ų131.8 Ų31.81%0.00517%0.165CC..Hα-helixtrans-61-46.9172.4-7082.5000111.8R711 S712 V713 A718 L719 A738 C744 L749R711-H715 HydrophobicContact CB-CB 3.89Å; R711-H715 HydrophobicContact CG-CB 4.14Å; S712-H715 PolarHBondContact N-ND1 2.96Å; S712-H715 WeakPolarHBondContact O-CB 3.42Å; S712-H715 PolarHBondContact O-N 3.41Å; S712-H715 VanDerWaalsContact O-N 3.08Å; S712-H715 PolarHBondContact OG-ND1 3Å; V713-H715 VanDerWaalsContact C-N 3.32Å; V713-H715 PolarHBondContact O-N 3.13Å; H715-A718 PolarHBondContact O-N 3.36Å; H715-L719 VanDerWaalsContact O-CB 3.3Å; H715-L719 WeakPolarHBondContact O-CB 3.48Å; H715-L719 PolarHBondContact O-N 3.17Å; H715-A738 PolarHBondContact CE1-O 3.26Å; H715-A738 PolarHBondContact NE2-O 2.84Å; H715-A738 VanDerWaalsContact NE2-O 3.15Å; H715-C744 PolarHBondContact NE2-O 2.93Å; H715-L749 HydrophobicContact CB-CD1 3.79Å
716F95Very high94.3Very high18 Ų1830.9 Ų30.98%0.07916%0.16CC..Hα-helixtrans-68.3-41.1178.7-68.6-84.4000112I677 T680 M681 D707 R711 S712 V713 A718 L719 E720I677-F716 HydrophobicContact CD1-CE2 4.42Å; I677-F716 HydrophobicContact CG1-CD2 4.34Å; I677-F716 HydrophobicContact CG2-CD1 4.44Å; I677-F716 HydrophobicContact CG2-CD2 3.57Å; I677-F716 HydrophobicContact CG2-CE1 4.48Å; I677-F716 HydrophobicContact CG2-CE2 3.61Å; I677-F716 HydrophobicContact CG2-CG 4.01Å; I677-F716 HydrophobicContact CG2-CZ 4.1Å; T680-F716 VanDerWaalsContact OG1-CB 3.26Å; T680-F716 WeakPolarHBondContact OG1-CB 3.26Å; M681-F716 HydrophobicContact CE-CD1 4.49Å; M681-F716 HydrophobicContact CE-CE1 4.21Å; M681-F716 HydrophobicContact CG-CD1 4.1Å; M681-F716 HydrophobicContact SD-CD1 4.1Å; M681-F716 HydrophobicContact SD-CE1 4.04Å; D707-F716 HydrophobicContact CB-CE2 4.41Å; D707-F716 HydrophobicContact CB-CZ 4.46Å; D707-F716 WeakPolarHBondContact OD2-CZ 3.26Å; R711-F716 HydrophobicContact CB-CD2 4.25Å; R711-F716 HydrophobicContact CB-CE2 3.57Å; R711-F716 HydrophobicContact CB-CZ 4.03Å; S712-F716 WeakPolarHBondContact O-CD2 3.28Å; V713-F716 PolarHBondContact O-N 3.5Å; F716-A718 VanDerWaalsContact C-N 3.3Å; F716-A718 PolarHBondContact O-N 3.36Å; F716-L719 PolarHBondContact O-N 3.46Å; F716-E720 WeakPolarHBondContact O-CB 3.2Å; F716-E720 PolarHBondContact O-N 2.91Å
717A95.3Very high94.3Very high0 Ų032.9 Ų32.90%017%0.166CC..Hα-helixtrans-61.4-40.1174.500000111.8T680 V713 L714 G721 L722 V725 L729T680-A717 HydrophobicContact CG2-CB 4.34Å; V713-A717 PolarHBondContact O-N 2.84Å; L714-A717 PolarHBondContact O-N 3.3Å; A717-G721 PolarHBondContact O-N 2.58Å; A717-G721 VanDerWaalsContact O-N 3.09Å; A717-L722 HydrophobicContact CB-CB 4.48Å; A717-L722 PolarHBondContact O-N 2.89Å; A717-V725 HydrophobicContact CB-CG1 4.01Å; A717-L729 HydrophobicContact CB-CD1 4Å
718A95.8Very high94.3Very high0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-69.4-43.1177.600000113L714 H715 F716 G721 P746 A750 R755 V758L714-A718 WeakPolarHBondContact O-CB 3.04Å; L714-A718 PolarHBondContact O-N 3.03Å; H715-A718 PolarHBondContact O-N 3.36Å; F716-A718 VanDerWaalsContact C-N 3.3Å; F716-A718 PolarHBondContact O-N 3.36Å; A718-G721 PolarHBondContact O-N 3.49Å; A718-P746 HydrophobicContact CB-CB 4.03Å; A718-P746 WeakPolarHBondContact CB-O 3.41Å; A718-A750 HydrophobicContact CB-CB 4.26Å; A718-R755 WeakPolarHBondContact O-CG 3.21Å; A718-V758 HydrophobicContact CB-CG1 4.08Å
719L94.5Very high94.4Very high53 Ų5326.6 Ų26.628%0.27714%0.139SC..Hα-helixtrans-63.1-43.7176.8-178151.9000112.2H715 F716 G721 R755H715-L719 VanDerWaalsContact O-CB 3.3Å; H715-L719 WeakPolarHBondContact O-CB 3.48Å; H715-L719 PolarHBondContact O-N 3.17Å; F716-L719 PolarHBondContact O-N 3.46Å; L719-G721 VanDerWaalsContact C-N 3.28Å; L719-G721 PolarHBondContact O-N 3.1Å; L719-R755 VanDerWaalsContact O-CZ 3.29Å; L719-R755 PolarHBondContact O-NE 3.3Å; L719-R755 PolarHBondContact O-NH2 2.57Å
720E92.9Very high94.5Very high88 Ų8825.3 Ų25.341%0.41113%0.133SC..Hα-helixtrans-75.8-13.5176.9-67.9-64.4168.800113.3F716 L722 R755F716-E720 WeakPolarHBondContact O-CB 3.2Å; F716-E720 PolarHBondContact O-N 2.91Å; E720-L722 HydrophobicContact CB-CD1 3.94Å; E720-L722 HydrophobicContact CB-CG 3.85Å; E720-R755 PolarHBondContact O-NH2 2.98Å
721G93.8Very high94.5Very high23 Ų2328.6 Ų28.624%0.23715%0.154CC..THydrogen-bonded Turntrans83.727.2176.300000114.7A717 A718 L719 V723A717-G721 PolarHBondContact O-N 2.58Å; A717-G721 VanDerWaalsContact O-N 3.09Å; A718-G721 PolarHBondContact O-N 3.49Å; L719-G721 VanDerWaalsContact C-N 3.28Å; L719-G721 PolarHBondContact O-N 3.1Å; G721-V723 PolarHBondContact O-N 2.87Å; G721-V723 VanDerWaalsContact O-N 3.09Å
722L94.4Very high94.3Very high17 Ų1733.6 Ų33.69%0.08918%0.177CC..  trans-8771.6-167.5-60.6173.6000112.7T680 R689 A717 E720 E724 V725 C726T680-L722 HydrophobicContact CG2-CD1 4.48Å; R689-L722 VanDerWaalsContact CD-CD1 3.45Å; A717-L722 HydrophobicContact CB-CB 4.48Å; A717-L722 PolarHBondContact O-N 2.89Å; E720-L722 HydrophobicContact CB-CD1 3.94Å; E720-L722 HydrophobicContact CB-CG 3.85Å; L722-E724 PolarHBondContact O-N 3.29Å; L722-V725 HydrophobicContact CB-CB 3.87Å; L722-V725 HydrophobicContact CB-CG2 4.11Å; L722-V725 WeakPolarHBondContact O-CA 3.38Å; L722-V725 WeakPolarHBondContact O-CB 3.34Å; L722-V725 PolarHBondContact O-N 3.28Å; L722-C726 PolarHBondContact O-N 3.22Å
723V95Very high94Very high49 Ų4936.2 Ų36.230%0.29721%0.205SC..Hα-helixtrans-47.3-54.3-173-171.50000113.6G721 V725 C726 E727 A757 V758 L761G721-V723 PolarHBondContact O-N 2.87Å; G721-V723 VanDerWaalsContact O-N 3.09Å; V723-V725 PolarHBondContact O-N 3.03Å; V723-C726 PolarHBondContact O-N 3.27Å; V723-E727 PolarHBondContact O-N 3.22Å; V723-A757 HydrophobicContact CG2-CB 3.72Å; V723-V758 HydrophobicContact CG2-CG2 3.82Å; V723-L761 HydrophobicContact CG1-CD2 4.07Å; V723-L761 WeakPolarHBondContact O-CD2 3.45Å
724E93.1Very high93.9Very high78 Ų7836.5 Ų36.536%0.36421%0.207SC..Hα-helixtrans-63.6-29.6-179.5-65.8-165.3-160.200112.9K690 L722 I728K690-E724 HydrophobicContact CD-CB 4.24Å; K690-E724 WeakPolarHBondContact CD-OE2 3.49Å; K690-E724 WeakPolarHBondContact CE-OE2 3.26Å; K690-E724 IonicContact NZ-OE2 2.76Å; K690-E724 PolarHBondContact NZ-OE2 2.9Å; L722-E724 PolarHBondContact O-N 3.29Å; E724-I728 VanDerWaalsContact O-CD1 3.29Å; E724-I728 WeakPolarHBondContact O-CD1 3.42Å; E724-I728 VanDerWaalsContact O-CG1 3.25Å; E724-I728 WeakPolarHBondContact O-CG1 3.26Å; E724-I728 PolarHBondContact O-N 3.29Å
725V94Very high93.7Very high4 Ų440.4 Ų40.42%0.02423%0.228CC..Hα-helixtrans-75.6-43.2177.7175.40000110.5T680 R689 I693 A717 L722 V723 E727 I728 L729T680-V725 HydrophobicContact CG2-CG1 4.48Å; R689-V725 HydrophobicContact CG-CG2 4.45Å; I693-V725 HydrophobicContact CD1-CG1 4.39Å; I693-V725 HydrophobicContact CG1-CG1 4.01Å; I693-V725 HydrophobicContact CG1-CG2 4.37Å; I693-V725 HydrophobicContact CG2-CG1 4.34Å; A717-V725 HydrophobicContact CB-CG1 4.01Å; L722-V725 HydrophobicContact CB-CB 3.87Å; L722-V725 HydrophobicContact CB-CG2 4.11Å; L722-V725 WeakPolarHBondContact O-CA 3.38Å; L722-V725 WeakPolarHBondContact O-CB 3.34Å; L722-V725 PolarHBondContact O-N 3.28Å; V723-V725 PolarHBondContact O-N 3.03Å; V725-E727 VanDerWaalsContact C-N 3.31Å; V725-E727 PolarHBondContact O-N 3.27Å; V725-I728 PolarHBondContact O-N 3.04Å; V725-L729 HydrophobicContact CG1-CD1 3.82Å; V725-L729 HydrophobicContact CG1-CG 4.34Å; V725-L729 WeakPolarHBondContact O-CB 3.31Å; V725-L729 WeakPolarHBondContact O-CD1 3.48Å; V725-L729 VanDerWaalsContact O-CG 3.23Å; V725-L729 WeakPolarHBondContact O-CG 3.45Å; V725-L729 PolarHBondContact O-N 3.48Å
726C95.4Very high93.6Very high0 Ų041.4 Ų41.40%023%0.233CC..Hα-helixtrans-56-45.9172.2-68.90000111.1L714 L722 V723 I728 L729 I730 L761L714-C726 HydrophobicContact CD1-CB 4.02Å; L722-C726 PolarHBondContact O-N 3.22Å; V723-C726 PolarHBondContact O-N 3.27Å; C726-I728 PolarHBondContact O-N 3.42Å; C726-L729 PolarHBondContact O-N 3.41Å; C726-I730 WeakPolarHBondContact O-CD1 3.19Å; C726-I730 WeakPolarHBondContact O-CG1 3.4Å; C726-I730 PolarHBondContact O-N 3.16Å; C726-L761 HydrophobicContact CB-CD2 3.57Å
727E95Very high93.5Very high93 Ų9342.3 Ų42.344%0.43524%0.239SC..Hα-helixtrans-64.3-42.2179.6-179.6159.9-125.600112.2V723 V725 S731 L761 K765V723-E727 PolarHBondContact O-N 3.22Å; V725-E727 VanDerWaalsContact C-N 3.31Å; V725-E727 PolarHBondContact O-N 3.27Å; E727-S731 VanDerWaalsContact O-CB 3.29Å; E727-S731 WeakPolarHBondContact O-CB 3.46Å; E727-S731 PolarHBondContact O-N 2.96Å; E727-S731 PolarHBondContact O-OG 3.18Å; E727-L761 HydrophobicContact CB-CD1 4.19Å; E727-L761 HydrophobicContact CB-CD2 3.96Å; E727-K765 IonicContact OE1-NZ 3.52Å; E727-K765 PolarHBondContact OE1-NZ 2.77Å
728I93.9Very high93.5Very high20 Ų2043 Ų4310%0.10325%0.245CC..Hα-helixtrans-60.2-47.3175.5-71.7161.2000111K690 I693 E694 L697 E724 V725 C726 S731 K732K690-I728 HydrophobicContact CD-CD1 3.79Å; K690-I728 HydrophobicContact CG-CD1 3.7Å; I693-I728 HydrophobicContact CG2-CG2 4.08Å; E694-I728 HydrophobicContact CG-CD1 3.92Å; L697-I728 HydrophobicContact CD1-CG2 3.67Å; E724-I728 VanDerWaalsContact O-CD1 3.29Å; E724-I728 WeakPolarHBondContact O-CD1 3.42Å; E724-I728 VanDerWaalsContact O-CG1 3.25Å; E724-I728 WeakPolarHBondContact O-CG1 3.26Å; E724-I728 PolarHBondContact O-N 3.29Å; V725-I728 PolarHBondContact O-N 3.04Å; C726-I728 PolarHBondContact O-N 3.42Å; I728-S731 PolarHBondContact O-N 3.39Å; I728-S731 PolarHBondContact O-OG 2.84Å; I728-K732 WeakPolarHBondContact O-CG 3.38Å; I728-K732 PolarHBondContact O-N 2.95Å
729L94.3Very high93.4Very high0 Ų047.3 Ų47.30%027%0.265CS..Hα-helixtrans-60.9-48.2-179.7-71166.1000111.9L676 L697 A703 V713 L714 A717 V725 C726 S731 K732 G733 A734L676-L729 HydrophobicContact CD2-CD2 4.18Å; L697-L729 HydrophobicContact CD1-CD2 4.27Å; A703-L729 HydrophobicContact CB-CD2 4.34Å; V713-L729 HydrophobicContact CG1-CD1 3.87Å; V713-L729 HydrophobicContact CG1-CD2 3.53Å; V713-L729 HydrophobicContact CG1-CG 4.29Å; V713-L729 HydrophobicContact CG2-CD1 4.03Å; V713-L729 HydrophobicContact CG2-CD2 4.31Å; L714-L729 HydrophobicContact CD1-CB 4.31Å; L714-L729 HydrophobicContact CD1-CD1 4.19Å; A717-L729 HydrophobicContact CB-CD1 4Å; V725-L729 HydrophobicContact CG1-CD1 3.82Å; V725-L729 HydrophobicContact CG1-CG 4.34Å; V725-L729 WeakPolarHBondContact O-CB 3.31Å; V725-L729 WeakPolarHBondContact O-CD1 3.48Å; V725-L729 VanDerWaalsContact O-CG 3.23Å; V725-L729 WeakPolarHBondContact O-CG 3.45Å; V725-L729 PolarHBondContact O-N 3.48Å; C726-L729 PolarHBondContact O-N 3.41Å; L729-S731 VanDerWaalsContact C-N 3.32Å; L729-S731 PolarHBondContact O-N 3.06Å; L729-K732 CarbonylContact O-C 3.53Å; L729-K732 WeakPolarHBondContact O-CA 3.47Å; L729-K732 PolarHBondContact O-N 3.25Å; L729-G733 PolarHBondContact O-N 3.34Å; L729-A734 HydrophobicContact CB-CB 4.05Å; L729-A734 WeakPolarHBondContact O-CB 3.31Å; L729-A734 PolarHBondContact O-N 3.02Å
730I93.7Very high93.3Very high29 Ų2945.2 Ų45.215%0.14925%0.254CS..Hα-helixtrans-63.3-39.5177.7-61.8161000110.3L714 C726 K732 G733 L736 L762 K765L714-I730 HydrophobicContact CD1-CD1 4.41Å; L714-I730 HydrophobicContact CD1-CG1 4.24Å; L714-I730 HydrophobicContact CD2-CG1 4.13Å; C726-I730 WeakPolarHBondContact O-CD1 3.19Å; C726-I730 WeakPolarHBondContact O-CG1 3.4Å; C726-I730 PolarHBondContact O-N 3.16Å; I730-K732 PolarHBondContact O-N 3.29Å; I730-K732 VanDerWaalsContact O-N 3.11Å; I730-G733 PolarHBondContact O-N 3.37Å; I730-L736 HydrophobicContact CD1-CD1 3.73Å; I730-L736 HydrophobicContact CG1-CD1 3.99Å; I730-L762 HydrophobicContact CD1-CD2 3.88Å; I730-K765 HydrophobicContact CD1-CG 4.27Å; I730-K765 HydrophobicContact CG2-CB 4.17Å; I730-K765 HydrophobicContact CG2-CD 4.32Å; I730-K765 HydrophobicContact CG2-CG 4.04Å
731S92.5Very high93.3Very high84 Ų8447 Ų4759%0.58726%0.262SS*.Hα-helixtrans-64.7-13.1174.682.10000114.5E727 I728 L729E727-S731 VanDerWaalsContact O-CB 3.29Å; E727-S731 WeakPolarHBondContact O-CB 3.46Å; E727-S731 PolarHBondContact O-N 2.96Å; E727-S731 PolarHBondContact O-OG 3.18Å; I728-S731 PolarHBondContact O-N 3.39Å; I728-S731 PolarHBondContact O-OG 2.84Å; L729-S731 VanDerWaalsContact C-N 3.32Å; L729-S731 PolarHBondContact O-N 3.06Å
732K89.8Confident93.3Very high144 Ų14449.3 Ų49.363%0.62627%0.267SS*.THydrogen-bonded Turntrans-104.36.4175.1-65.7-56.5-174.9-177.70113.7L697 I728 L729 I730L697-K732 HydrophobicContact CD1-CG 4.19Å; I728-K732 WeakPolarHBondContact O-CG 3.38Å; I728-K732 PolarHBondContact O-N 2.95Å; L729-K732 CarbonylContact O-C 3.53Å; L729-K732 WeakPolarHBondContact O-CA 3.47Å; L729-K732 PolarHBondContact O-N 3.25Å; I730-K732 PolarHBondContact O-N 3.29Å; I730-K732 VanDerWaalsContact O-N 3.11Å
733G89.2Confident93.2Very high59 Ų5952.8 Ų52.861%0.60828%0.281SS*.THydrogen-bonded Turntrans83.418.8175.400000114.7L729 I730L729-G733 PolarHBondContact O-N 3.34Å; I730-G733 PolarHBondContact O-N 3.37Å
734A92.5Very high93.1Very high7 Ų751.3 Ų51.36%0.05827%0.273CS..  trans-60.6136.7169.800000110.3A703 D704 L729 L736A703-A734 HydrophobicContact CB-CB 3.72Å; D704-A734 VanDerWaalsContact OD1-CA 3.3Å; D704-A734 WeakPolarHBondContact OD1-CA 3.25Å; L729-A734 HydrophobicContact CB-CB 4.05Å; L729-A734 WeakPolarHBondContact O-CB 3.31Å; L729-A734 PolarHBondContact O-N 3.02Å; A734-L736 PolarHBondContact O-N 2.73Å
735D92.9Very high93.3Very high81 Ų8147.6 Ų47.643%0.43326%0.256SS..  trans-60.9120-178.2-176.42.5000111.3D704 L714 N737 A738D704-D735 PolarHBondContact OD1-N 3.06Å; L714-D735 WeakPolarHBondContact CD2-O 3.48Å; D735-N737 PolarHBondContact OD1-N 3.3Å; D735-A738 HydrophobicContact CB-CB 4.07Å; D735-A738 PolarHBondContact OD1-N 2.77Å; D735-A738 WeakPolarHBondContact OD2-CA 3.46Å; D735-A738 PolarHBondContact OD2-N 2.93Å
736L92.6Very high93.4Very high23 Ų2347.4 Ų47.412%0.1225%0.254CS..SBendtrans-72.5-31.3-177.2-171.363.3000112.1L714 I730 A734 L762 K765 A767L714-L736 HydrophobicContact CD2-CD1 4.38Å; I730-L736 HydrophobicContact CD1-CD1 3.73Å; I730-L736 HydrophobicContact CG1-CD1 3.99Å; A734-L736 PolarHBondContact O-N 2.73Å; L736-L762 HydrophobicContact CD1-CD2 3.46Å; L736-L762 VanDerWaalsContact CD1-CD2 3.46Å; L736-K765 HydrophobicContact CD1-CB 4.42Å; L736-K765 HydrophobicContact CD2-CB 4.11Å; L736-K765 WeakPolarHBondContact CD2-O 3.42Å; L736-A767 HydrophobicContact CD1-CB 4.33Å; L736-A767 HydrophobicContact CD2-CB 3.99Å; L736-A767 HydrophobicContact CG-CB 3.86Å
737N93.7Very high93.4Very high36 Ų3647.5 Ų47.519%0.19326%0.255CS..SBendtrans-11810.3-166.7-59.6-23.5000112.7D735 E739 A767 D768D735-N737 PolarHBondContact OD1-N 3.3Å; N737-E739 PolarHBondContact O-N 3.28Å; N737-A767 VanDerWaalsContact OD1-CA 3.23Å; N737-A767 WeakPolarHBondContact OD1-CA 3.29Å; N737-D768 HydrophobicContact CB-CB 4.39Å; N737-D768 PolarHBondContact ND2-N 3.25Å; N737-D768 PolarHBondContact ND2-OD1 2.83Å; N737-D768 PolarHBondContact ND2-OD2 2.71Å; N737-D768 PolarHBondContact OD1-N 2.81Å
738A93.8Very high93.4Very high16 Ų1643.1 Ų43.113%0.13223%0.234CC..  trans-48.3134176.100000112.1H715 D735 P746H715-A738 PolarHBondContact CE1-O 3.26Å; H715-A738 PolarHBondContact NE2-O 2.84Å; H715-A738 VanDerWaalsContact NE2-O 3.15Å; D735-A738 HydrophobicContact CB-CB 4.07Å; D735-A738 PolarHBondContact OD1-N 2.77Å; D735-A738 WeakPolarHBondContact OD2-CA 3.46Å; D735-A738 PolarHBondContact OD2-N 2.93Å; A738-P746 WeakPolarHBondContact O-CD 3.21Å
739E94.1Very high93.5Very high90 Ų9043.2 Ų43.242%0.42124%0.235SC..  trans-95.8135.7177.3-74.8-175.4175.500111.3N737 K743N737-E739 PolarHBondContact O-N 3.28Å; E739-K743 VanDerWaalsContact CD-NZ 3.27Å; E739-K743 HydrophobicContact CG-CB 4.44Å; E739-K743 IonicContact OE1-NZ 3.94Å; E739-K743 PolarHBondContact OE1-NZ 3.11Å; E739-K743 WeakPolarHBondContact OE2-CG 3.49Å; E739-K743 IonicContact OE2-NZ 3.51Å; E739-K743 PolarHBondContact OE2-NZ 3Å
740D93.8Very high93.6Very high8 Ų843.2 Ų43.24%0.04324%0.235CC..  trans-80.5178.3166.190.9-11.1000112.7Q709 R711 H742 K743 C744Q709-D740 WeakPolarHBondContact O-CB 3.33Å; R711-D740 HydrophobicContact CG-CB 3.65Å; R711-D740 IonicContact CZ-OD2 2.96Å; R711-D740 IonicContact NE-OD2 3.02Å; R711-D740 PolarHBondContact NE-OD2 3.11Å; R711-D740 IonicContact NH2-OD2 2.7Å; R711-D740 PolarHBondContact NH2-OD2 2.94Å; D740-H742 PolarHBondContact O-N 3.09Å; D740-H742 WeakPolarHBondContact OD1-CA 3.23Å; D740-H742 WeakPolarHBondContact OD1-CB 3.32Å; D740-H742 PolarHBondContact OD1-N 3.5Å; D740-K743 WeakPolarHBondContact O-CA 3.49Å; D740-K743 PolarHBondContact O-N 3.42Å; D740-K743 PolarHBondContact OD1-N 2.79Å; D740-C744 PolarHBondContact N-O 3.3Å; D740-C744 VanDerWaalsContact N-O 3.09Å; D740-C744 WeakPolarHBondContact OD1-CB 3.13Å; D740-C744 PolarHBondContact OD1-N 2.88Å
741E92.7Very high93.6Very high125 Ų12541.9 Ų41.958%0.58423%0.228SC*.THydrogen-bonded Turntrans-58.9-12.7179.6-79.3-170.8143.900114.7Q709Q709-E741 PolarHBondContact O-N 3.42Å
742H92Very high93.6Very high73 Ų7339.4 Ų39.434%0.33821%0.211SC..THydrogen-bonded Turntrans-106.810.6175.5-56.7-28.2000112.6D740 C744 S774D740-H742 PolarHBondContact O-N 3.09Å; D740-H742 WeakPolarHBondContact OD1-CA 3.23Å; D740-H742 WeakPolarHBondContact OD1-CB 3.32Å; D740-H742 PolarHBondContact OD1-N 3.5Å; H742-C744 PolarHBondContact O-N 2.82Å; H742-S774 VanDerWaalsContact O-CB 3.31Å; H742-S774 WeakPolarHBondContact O-CB 3.42Å; H742-S774 PolarHBondContact O-N 3.05Å; H742-S774 PolarHBondContact O-OG 3.33Å
743K92.8Very high93.8Very high90 Ų9034.9 Ų34.939%0.39120%0.196SC..  trans60.123.4-170.2-57.9-178.9142.9-770114.2E739 D740E739-K743 VanDerWaalsContact CD-NZ 3.27Å; E739-K743 HydrophobicContact CG-CB 4.44Å; E739-K743 IonicContact OE1-NZ 3.94Å; E739-K743 PolarHBondContact OE1-NZ 3.11Å; E739-K743 WeakPolarHBondContact OE2-CG 3.49Å; E739-K743 IonicContact OE2-NZ 3.51Å; E739-K743 PolarHBondContact OE2-NZ 3Å; D740-K743 WeakPolarHBondContact O-CA 3.49Å; D740-K743 PolarHBondContact O-N 3.42Å; D740-K743 PolarHBondContact OD1-N 2.79Å
744C94.4Very high94Very high17 Ų1733.5 Ų33.512%0.11518%0.183CC..  trans-80.4126.4174.5-65.50000109.8H715 D740 H742 M748 L749H715-C744 PolarHBondContact NE2-O 2.93Å; D740-C744 PolarHBondContact N-O 3.3Å; D740-C744 VanDerWaalsContact N-O 3.09Å; D740-C744 WeakPolarHBondContact OD1-CB 3.13Å; D740-C744 PolarHBondContact OD1-N 2.88Å; H742-C744 PolarHBondContact O-N 2.82Å; C744-M748 HydrophobicContact CB-SD 4.42Å; C744-L749 HydrophobicContact CB-CD2 4.25Å
745T96.1Very high94.1Very high1 Ų137.4 Ų37.41%0.00620%0.196CC..  trans-88166.9173.464.10000112L747 M748 L749 T771T745-L747 PolarHBondContact O-N 3.22Å; T745-M748 WeakPolarHBondContact O-CB 3.41Å; T745-M748 PolarHBondContact O-N 2.96Å; T745-M748 VanDerWaalsContact O-N 3.12Å; T745-M748 PolarHBondContact OG1-N 3.11Å; T745-L749 PolarHBondContact O-N 3.36Å; T745-L749 VanDerWaalsContact O-N 3.09Å; T745-T771 HydrophobicContact CG2-CG2 4.06Å
746P96Very high94.2Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-56.7-33.2172.5-26.235.4000113.3L714 A718 A738 L749 A750 L762L714-P746 HydrophobicContact CB-CG 4.27Å; L714-P746 HydrophobicContact CD2-CB 4.3Å; L714-P746 HydrophobicContact CD2-CG 4.09Å; L714-P746 HydrophobicContact CG-CB 3.99Å; L714-P746 HydrophobicContact CG-CG 4Å; A718-P746 HydrophobicContact CB-CB 4.03Å; A718-P746 WeakPolarHBondContact CB-O 3.41Å; A738-P746 WeakPolarHBondContact O-CD 3.21Å; P746-L749 PolarHBondContact O-N 3.19Å; P746-A750 WeakPolarHBondContact O-CB 3.32Å; P746-A750 PolarHBondContact O-N 3.45Å; P746-L762 HydrophobicContact CB-CD1 4.29Å
747L95.9Very high94.4Very high2 Ų238.3 Ų38.31%0.0120%0.203CC..Hα-helixtrans-66.1-43.4176.2-177.664.6000111.5T745 L749 A750 A751 V759 L762 L763 A767 V769 V779T745-L747 PolarHBondContact O-N 3.22Å; L747-L749 PolarHBondContact O-N 2.95Å; L747-A750 PolarHBondContact O-N 2.96Å; L747-A751 PolarHBondContact O-N 2.16Å; L747-V759 HydrophobicContact CD1-CG1 4.12Å; L747-L762 HydrophobicContact CB-CD1 4.15Å; L747-L762 HydrophobicContact CD1-CB 3.88Å; L747-L762 HydrophobicContact CD1-CD1 4.22Å; L747-L763 HydrophobicContact CD1-CD2 4.26Å; L747-L763 HydrophobicContact CD1-CG 4.2Å; L747-L763 HydrophobicContact CD2-CD2 4.06Å; L747-A767 HydrophobicContact CB-CB 4.43Å; L747-A767 HydrophobicContact CD2-CB 4.06Å; L747-V769 HydrophobicContact CD2-CG1 4.19Å; L747-V779 HydrophobicContact CD2-CG1 4.15Å; L747-V779 HydrophobicContact CG-CG1 4.41Å; L747-V779 HydrophobicContact CG-CG2 4.24Å
748M95.5Very high94.5Very high1 Ų136.7 Ų36.71%0.00519%0.194CC..Hα-helixtrans-59.4-44.9173.4-72.2-176.5-172.300112.4C744 T745 C752 T771 D773 V779 L782C744-M748 HydrophobicContact CB-SD 4.42Å; T745-M748 WeakPolarHBondContact O-CB 3.41Å; T745-M748 PolarHBondContact O-N 2.96Å; T745-M748 VanDerWaalsContact O-N 3.12Å; T745-M748 PolarHBondContact OG1-N 3.11Å; M748-C752 WeakPolarHBondContact O-CB 3.39Å; M748-C752 PolarHBondContact O-N 3.18Å; M748-T771 WeakPolarHBondContact CE-O 3.35Å; M748-D773 HydrophobicContact SD-CB 4.13Å; M748-V779 HydrophobicContact CG-CB 3.91Å; M748-V779 HydrophobicContact CG-CG2 4.38Å; M748-L782 HydrophobicContact CB-CD1 3.65Å; M748-L782 HydrophobicContact CG-CD1 3.79Å; M748-L782 HydrophobicContact SD-CD1 4.03Å
749L95Very high94.6Very high21 Ų2135.9 Ų35.911%0.1119%0.188CC..Hα-helixtrans-66.4-41.6177.8-63.4-174.6000112.1H715 C744 T745 P746 L747 A751 C752 C753H715-L749 HydrophobicContact CB-CD1 3.79Å; C744-L749 HydrophobicContact CB-CD2 4.25Å; T745-L749 PolarHBondContact O-N 3.36Å; T745-L749 VanDerWaalsContact O-N 3.09Å; P746-L749 PolarHBondContact O-N 3.19Å; L747-L749 PolarHBondContact O-N 2.95Å; L749-A751 PolarHBondContact O-N 3.35Å; L749-C752 PolarHBondContact O-N 2.76Å; L749-C753 VanDerWaalsContact O-CB 3.3Å; L749-C753 WeakPolarHBondContact O-CB 3.4Å; L749-C753 PolarHBondContact O-N 3.43Å
750A95.9Very high94.6Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-59.2-47.1176.200000111.9A718 P746 L747 C753 G754 R755 V758 V759 L762A718-A750 HydrophobicContact CB-CB 4.26Å; P746-A750 WeakPolarHBondContact O-CB 3.32Å; P746-A750 PolarHBondContact O-N 3.45Å; L747-A750 PolarHBondContact O-N 2.96Å; A750-C753 PolarHBondContact O-N 3.02Å; A750-G754 PolarHBondContact O-N 2.87Å; A750-R755 HydrophobicContact CB-CB 4.32Å; A750-R755 WeakPolarHBondContact O-CB 3.22Å; A750-R755 PolarHBondContact O-N 2.66Å; A750-V758 HydrophobicContact CB-CB 4.12Å; A750-V758 HydrophobicContact CB-CG1 3.77Å; A750-V759 HydrophobicContact CB-CG2 3.78Å; A750-L762 HydrophobicContact CB-CD1 4.09Å
751A94.5Very high94.7Very high1 Ų135.3 Ų35.31%0.00819%0.187CC..Hα-helixtrans-66.3-46.917800000112.2L747 L749 C753 G754 V759 V779 A783 I791L747-A751 PolarHBondContact O-N 2.16Å; L749-A751 PolarHBondContact O-N 3.35Å; A751-C753 PolarHBondContact O-N 3.48Å; A751-G754 PolarHBondContact O-N 3.36Å; A751-V759 HydrophobicContact CB-CG2 4.18Å; A751-V779 HydrophobicContact CB-CG2 3.34Å; A751-A783 HydrophobicContact CB-CB 4.32Å; A751-I791 HydrophobicContact CB-CG2 3.96Å
752C93.2Very high94.9Very high33 Ų3329.4 Ų29.422%0.22316%0.159CC..Hα-helixtrans-63.7-27.1179.2-168.90000112.8M748 L749 L782 Q786M748-C752 WeakPolarHBondContact O-CB 3.39Å; M748-C752 PolarHBondContact O-N 3.18Å; L749-C752 PolarHBondContact O-N 2.76Å; C752-L782 HydrophobicContact CB-CB 4.42Å; C752-Q786 WeakPolarHBondContact O-CG 3.22Å; C752-Q786 PolarHBondContact O-NE2 3.46Å; C752-Q786 PolarHBondContact SG-NE2 3.08Å; C752-Q786 VanDerWaalsContact SG-NE2 3.42Å
753C93.5Very high95Very high48 Ų4827.7 Ų27.732%0.32415%0.153SC..THydrogen-bonded Turntrans-96.311.4174.3-68.30000114.2L749 A750 A751 R755L749-C753 VanDerWaalsContact O-CB 3.3Å; L749-C753 WeakPolarHBondContact O-CB 3.4Å; L749-C753 PolarHBondContact O-N 3.43Å; A750-C753 PolarHBondContact O-N 3.02Å; A751-C753 PolarHBondContact O-N 3.48Å; C753-R755 VanDerWaalsContact C-N 3.31Å; C753-R755 HydrophobicContact CB-CG 3.88Å; C753-R755 VanDerWaalsContact O-CD 3.26Å; C753-R755 WeakPolarHBondContact O-CD 3.3Å; C753-R755 PolarHBondContact O-N 3.34Å; C753-R755 PolarHBondContact O-NE 3.22Å
754G93.2Very high95Very high31 Ų3127.5 Ų27.532%0.3216%0.163SC..THydrogen-bonded Turntrans7020.5174.900000115A750 A751 R756 I791A750-G754 PolarHBondContact O-N 2.87Å; A751-G754 PolarHBondContact O-N 3.36Å; G754-R756 VanDerWaalsContact C-N 3.32Å; G754-R756 PolarHBondContact O-N 2.9Å; G754-I791 VanDerWaalsContact C-CD1 3.45Å
755R95.3Very high95Very high89 Ų8931 Ų3134%0.33618%0.176SC..  trans-85.864-169.8-50.5-54.5-164.1175.57.3112.4A718 L719 E720 A750 C753 A757 V758 V759A718-R755 WeakPolarHBondContact O-CG 3.21Å; L719-R755 VanDerWaalsContact O-CZ 3.29Å; L719-R755 PolarHBondContact O-NE 3.3Å; L719-R755 PolarHBondContact O-NH2 2.57Å; E720-R755 PolarHBondContact O-NH2 2.98Å; A750-R755 HydrophobicContact CB-CB 4.32Å; A750-R755 WeakPolarHBondContact O-CB 3.22Å; A750-R755 PolarHBondContact O-N 2.66Å; C753-R755 VanDerWaalsContact C-N 3.31Å; C753-R755 HydrophobicContact CB-CG 3.88Å; C753-R755 VanDerWaalsContact O-CD 3.26Å; C753-R755 WeakPolarHBondContact O-CD 3.3Å; C753-R755 PolarHBondContact O-N 3.34Å; C753-R755 PolarHBondContact O-NE 3.22Å; R755-A757 VanDerWaalsContact C-N 3.34Å; R755-A757 PolarHBondContact O-N 2.89Å; R755-A757 VanDerWaalsContact O-N 3.12Å; R755-V758 HydrophobicContact CB-CB 4.06Å; R755-V758 HydrophobicContact CB-CG2 4.21Å; R755-V758 WeakPolarHBondContact O-CA 3.44Å; R755-V758 WeakPolarHBondContact O-CB 3.43Å; R755-V758 PolarHBondContact O-N 2.98Å; R755-V759 PolarHBondContact O-N 3.45Å
756R94.3Very high94.8Very high71 Ų7133.3 Ų33.327%0.26820%0.2SC..Hα-helixtrans-41.4-52.5-173.1-176.168-167.99013.6114.7G754 V758 V759 D760 D790 I791 A794G754-R756 VanDerWaalsContact C-N 3.32Å; G754-R756 PolarHBondContact O-N 2.9Å; R756-V758 VanDerWaalsContact C-N 3.34Å; R756-V758 PolarHBondContact O-N 2.63Å; R756-V759 WeakPolarHBondContact O-CB 3.4Å; R756-V759 PolarHBondContact O-N 2.96Å; R756-V759 VanDerWaalsContact O-N 3.15Å; R756-D760 VanDerWaalsContact CZ-CG 3.47Å; R756-D760 IonicContact CZ-OD1 2.7Å; R756-D760 IonicContact CZ-OD2 3.96Å; R756-D760 IonicContact NE-OD2 3.6Å; R756-D760 IonicContact NH1-OD1 3.34Å; R756-D760 PolarHBondContact NH1-OD1 3.43Å; R756-D760 IonicContact NH1-OD2 3.47Å; R756-D760 PolarHBondContact NH1-OD2 2.93Å; R756-D760 IonicContact NH2-OD1 3.24Å; R756-D760 PolarHBondContact NH2-OD1 3.21Å; R756-D760 IonicContact NH2-OD2 3.62Å; R756-D760 PolarHBondContact NH2-OD2 3.22Å; R756-D760 PolarHBondContact O-N 2.83Å; R756-D790 HydrophobicContact CG-CB 4.34Å; R756-D790 PolarHBondContact NE-O 2.96Å; R756-I791 HydrophobicContact CB-CD1 4.45Å; R756-I791 HydrophobicContact CB-CG1 4.15Å; R756-I791 HydrophobicContact CG-CG1 4.47Å; R756-A794 VanDerWaalsContact NH1-CB 3.34Å
757A96Very high94.7Very high52 Ų5233.7 Ų33.743%0.4320%0.203SC..Hα-helixtrans-70.9-22.7-178.100000114.5V723 R755 L761V723-A757 HydrophobicContact CG2-CB 3.72Å; R755-A757 VanDerWaalsContact C-N 3.34Å; R755-A757 PolarHBondContact O-N 2.89Å; R755-A757 VanDerWaalsContact O-N 3.12Å; A757-L761 WeakPolarHBondContact O-CB 3.39Å; A757-L761 PolarHBondContact O-N 3.03Å
758V96.3Very high94.4Very high1 Ų138 Ų381%0.00623%0.226CC..Hα-helixtrans-77.3-37.8169.2178.60000110.3A718 V723 A750 R755 R756 L761 L762A718-V758 HydrophobicContact CB-CG1 4.08Å; V723-V758 HydrophobicContact CG2-CG2 3.82Å; A750-V758 HydrophobicContact CB-CB 4.12Å; A750-V758 HydrophobicContact CB-CG1 3.77Å; R755-V758 HydrophobicContact CB-CB 4.06Å; R755-V758 HydrophobicContact CB-CG2 4.21Å; R755-V758 WeakPolarHBondContact O-CA 3.44Å; R755-V758 WeakPolarHBondContact O-CB 3.43Å; R755-V758 PolarHBondContact O-N 2.98Å; R756-V758 VanDerWaalsContact C-N 3.34Å; R756-V758 PolarHBondContact O-N 2.63Å; V758-L761 PolarHBondContact O-N 3.36Å; V758-L762 HydrophobicContact CG1-CD1 3.74Å; V758-L762 HydrophobicContact CG1-CG 4.05Å; V758-L762 WeakPolarHBondContact O-CB 3.11Å; V758-L762 VanDerWaalsContact O-CG 3.3Å; V758-L762 WeakPolarHBondContact O-CG 3.16Å; V758-L762 PolarHBondContact O-N 3.24Å
759V95.8Very high94Very high0 Ų039.2 Ų39.20%023%0.234CC..Hα-helixtrans-59.8-47.5173.1176.10000110.5L747 A750 A751 R755 R756 L761 L762 L763 I791 L795L747-V759 HydrophobicContact CD1-CG1 4.12Å; A750-V759 HydrophobicContact CB-CG2 3.78Å; A751-V759 HydrophobicContact CB-CG2 4.18Å; R755-V759 PolarHBondContact O-N 3.45Å; R756-V759 WeakPolarHBondContact O-CB 3.4Å; R756-V759 PolarHBondContact O-N 2.96Å; R756-V759 VanDerWaalsContact O-N 3.15Å; V759-L761 VanDerWaalsContact C-N 3.33Å; V759-L761 PolarHBondContact O-N 2.99Å; V759-L762 PolarHBondContact O-N 2.96Å; V759-L763 HydrophobicContact CG1-CD1 3.73Å; V759-L763 HydrophobicContact CG1-CG 4.28Å; V759-L763 WeakPolarHBondContact O-CB 3.31Å; V759-L763 VanDerWaalsContact O-CG 3.26Å; V759-L763 WeakPolarHBondContact O-CG 3.35Å; V759-L763 PolarHBondContact O-N 3.14Å; V759-I791 HydrophobicContact CG1-CG2 4.42Å; V759-I791 HydrophobicContact CG2-CD1 4.42Å; V759-I791 HydrophobicContact CG2-CG2 4.31Å; V759-L795 HydrophobicContact CG1-CD2 4.38Å
760D95.1Very high93.5Very high71 Ų7144.4 Ų44.438%0.3826%0.262SS..Hα-helixtrans-56.2-46173.5-73.5-47.6000112.3R756 S764R756-D760 VanDerWaalsContact CZ-CG 3.47Å; R756-D760 IonicContact CZ-OD1 2.7Å; R756-D760 IonicContact CZ-OD2 3.96Å; R756-D760 IonicContact NE-OD2 3.6Å; R756-D760 IonicContact NH1-OD1 3.34Å; R756-D760 PolarHBondContact NH1-OD1 3.43Å; R756-D760 IonicContact NH1-OD2 3.47Å; R756-D760 PolarHBondContact NH1-OD2 2.93Å; R756-D760 IonicContact NH2-OD1 3.24Å; R756-D760 PolarHBondContact NH2-OD1 3.21Å; R756-D760 IonicContact NH2-OD2 3.62Å; R756-D760 PolarHBondContact NH2-OD2 3.22Å; R756-D760 PolarHBondContact O-N 2.83Å; D760-S764 VanDerWaalsContact O-CB 3.24Å; D760-S764 WeakPolarHBondContact O-CB 3.33Å; D760-S764 PolarHBondContact O-N 2.86Å; D760-S764 PolarHBondContact O-OG 3.39Å
761L96.1Very high93.2Very high15 Ų1545.4 Ų45.48%0.07927%0.268CS..Hα-helixtrans-61.2-52.4179.3176.663.5000111V723 C726 E727 A757 V758 V759 L763 S764 K765V723-L761 HydrophobicContact CG1-CD2 4.07Å; V723-L761 WeakPolarHBondContact O-CD2 3.45Å; C726-L761 HydrophobicContact CB-CD2 3.57Å; E727-L761 HydrophobicContact CB-CD1 4.19Å; E727-L761 HydrophobicContact CB-CD2 3.96Å; A757-L761 WeakPolarHBondContact O-CB 3.39Å; A757-L761 PolarHBondContact O-N 3.03Å; V758-L761 PolarHBondContact O-N 3.36Å; V759-L761 VanDerWaalsContact C-N 3.33Å; V759-L761 PolarHBondContact O-N 2.99Å; L761-L763 PolarHBondContact O-N 2.69Å; L761-S764 PolarHBondContact O-N 3.22Å; L761-S764 PolarHBondContact O-OG 3.35Å; L761-K765 VanDerWaalsContact CD1-CE 3.43Å; L761-K765 HydrophobicContact CD1-CG 4.25Å; L761-K765 VanDerWaalsContact O-CG 3.31Å; L761-K765 WeakPolarHBondContact O-CG 3.26Å; L761-K765 PolarHBondContact O-N 3.21Å; L761-K765 VanDerWaalsContact O-N 3.13Å
762L95.6Very high93.2Very high0 Ų048.6 Ų48.60%028%0.284CS..Hα-helixtrans-62-44.4-177.7-68.7172.4000111.8L714 I730 L736 P746 L747 A750 V758 V759 S764 K765 G766 A767L714-L762 HydrophobicContact CD2-CD2 4.41Å; I730-L762 HydrophobicContact CD1-CD2 3.88Å; L736-L762 HydrophobicContact CD1-CD2 3.46Å; L736-L762 VanDerWaalsContact CD1-CD2 3.46Å; P746-L762 HydrophobicContact CB-CD1 4.29Å; L747-L762 HydrophobicContact CB-CD1 4.15Å; L747-L762 HydrophobicContact CD1-CB 3.88Å; L747-L762 HydrophobicContact CD1-CD1 4.22Å; A750-L762 HydrophobicContact CB-CD1 4.09Å; V758-L762 HydrophobicContact CG1-CD1 3.74Å; V758-L762 HydrophobicContact CG1-CG 4.05Å; V758-L762 WeakPolarHBondContact O-CB 3.11Å; V758-L762 VanDerWaalsContact O-CG 3.3Å; V758-L762 WeakPolarHBondContact O-CG 3.16Å; V758-L762 PolarHBondContact O-N 3.24Å; V759-L762 PolarHBondContact O-N 2.96Å; L762-S764 PolarHBondContact O-N 2.81Å; L762-K765 PolarHBondContact O-N 3.19Å; L762-G766 PolarHBondContact O-N 2.99Å; L762-A767 HydrophobicContact CB-CB 4.11Å; L762-A767 WeakPolarHBondContact O-CB 2.97Å; L762-A767 PolarHBondContact O-N 3.26Å; L762-A767 VanDerWaalsContact O-N 3.14Å
763L93.6Very high93.2Very high37 Ų3747.2 Ų47.219%0.19428%0.275CS..Hα-helixtrans-60.7-43.5173.7-67.3172.2000111.4L747 V759 L761 K765 G766 V769 L795 A798L747-L763 HydrophobicContact CD1-CD2 4.26Å; L747-L763 HydrophobicContact CD1-CG 4.2Å; L747-L763 HydrophobicContact CD2-CD2 4.06Å; V759-L763 HydrophobicContact CG1-CD1 3.73Å; V759-L763 HydrophobicContact CG1-CG 4.28Å; V759-L763 WeakPolarHBondContact O-CB 3.31Å; V759-L763 VanDerWaalsContact O-CG 3.26Å; V759-L763 WeakPolarHBondContact O-CG 3.35Å; V759-L763 PolarHBondContact O-N 3.14Å; L761-L763 PolarHBondContact O-N 2.69Å; L763-K765 PolarHBondContact O-N 2.92Å; L763-G766 PolarHBondContact O-N 3.21Å; L763-V769 HydrophobicContact CD2-CG1 3.57Å; L763-L795 HydrophobicContact CD1-CD2 4.2Å; L763-L795 HydrophobicContact CD2-CD2 4.32Å; L763-A798 HydrophobicContact CD1-CB 4.34Å; L763-A798 HydrophobicContact CD2-CB 4.17Å
764S93.8Very high93.1Very high87 Ų8748.2 Ų48.261%0.60828%0.282SS*.Hα-helixtrans-67-15.3179.177.40000114.7D760 L761 L762D760-S764 VanDerWaalsContact O-CB 3.24Å; D760-S764 WeakPolarHBondContact O-CB 3.33Å; D760-S764 PolarHBondContact O-N 2.86Å; D760-S764 PolarHBondContact O-OG 3.39Å; L761-S764 PolarHBondContact O-N 3.22Å; L761-S764 PolarHBondContact O-OG 3.35Å; L762-S764 PolarHBondContact O-N 2.81Å
765K94.7Very high93.1Very high90 Ų9048.7 Ų48.739%0.39128%0.279SS..THydrogen-bonded Turntrans-100-0.5174.4-55.2-67.1179.6-178.60112.8E727 I730 L736 L761 L762 L763E727-K765 IonicContact OE1-NZ 3.52Å; E727-K765 PolarHBondContact OE1-NZ 2.77Å; I730-K765 HydrophobicContact CD1-CG 4.27Å; I730-K765 HydrophobicContact CG2-CB 4.17Å; I730-K765 HydrophobicContact CG2-CD 4.32Å; I730-K765 HydrophobicContact CG2-CG 4.04Å; L736-K765 HydrophobicContact CD1-CB 4.42Å; L736-K765 HydrophobicContact CD2-CB 4.11Å; L736-K765 WeakPolarHBondContact CD2-O 3.42Å; L761-K765 VanDerWaalsContact CD1-CE 3.43Å; L761-K765 HydrophobicContact CD1-CG 4.25Å; L761-K765 VanDerWaalsContact O-CG 3.31Å; L761-K765 WeakPolarHBondContact O-CG 3.26Å; L761-K765 PolarHBondContact O-N 3.21Å; L761-K765 VanDerWaalsContact O-N 3.13Å; L762-K765 PolarHBondContact O-N 3.19Å; L763-K765 PolarHBondContact O-N 2.92Å
766G91.4Very high92.9Very high50 Ų5044.8 Ų44.852%0.51527%0.266SS..THydrogen-bonded Turntrans8642.7176.300000114.8L762 L763L762-G766 PolarHBondContact O-N 2.99Å; L763-G766 PolarHBondContact O-N 3.21Å
767A93.4Very high92.9Very high8 Ų844.3 Ų44.37%0.06626%0.264CS..  trans-69.5141.4175.100000112.1L736 N737 L747 L762 V769L736-A767 HydrophobicContact CD1-CB 4.33Å; L736-A767 HydrophobicContact CD2-CB 3.99Å; L736-A767 HydrophobicContact CG-CB 3.86Å; N737-A767 VanDerWaalsContact OD1-CA 3.23Å; N737-A767 WeakPolarHBondContact OD1-CA 3.29Å; L747-A767 HydrophobicContact CB-CB 4.43Å; L747-A767 HydrophobicContact CD2-CB 4.06Å; L762-A767 HydrophobicContact CB-CB 4.11Å; L762-A767 WeakPolarHBondContact O-CB 2.97Å; L762-A767 PolarHBondContact O-N 3.26Å; L762-A767 VanDerWaalsContact O-N 3.14Å; A767-V769 WeakPolarHBondContact O-CG1 3.14Å; A767-V769 PolarHBondContact O-N 2.88Å; A767-V769 VanDerWaalsContact O-N 3.11Å
768D89.5Confident92.8Very high91 Ų9142.1 Ų42.149%0.48725%0.246SC..  trans-72.6105.2-173.7-72.9-23.5000111.6N737 T771N737-D768 HydrophobicContact CB-CB 4.39Å; N737-D768 PolarHBondContact ND2-N 3.25Å; N737-D768 PolarHBondContact ND2-OD1 2.83Å; N737-D768 PolarHBondContact ND2-OD2 2.71Å; N737-D768 PolarHBondContact OD1-N 2.81Å; D768-T771 HydrophobicContact CB-CG2 3.87Å; D768-T771 WeakPolarHBondContact O-CG2 3.01Å; D768-T771 PolarHBondContact O-OG1 2.81Å
769V87.7Confident92.7Very high27 Ų2742.1 Ų42.116%0.16425%0.246CC..THydrogen-bonded Turntrans-76.8-26.8-172.9-63.90000114.4L747 L763 A767 T771 L800L747-V769 HydrophobicContact CD2-CG1 4.19Å; L763-V769 HydrophobicContact CD2-CG1 3.57Å; A767-V769 WeakPolarHBondContact O-CG1 3.14Å; A767-V769 PolarHBondContact O-N 2.88Å; A767-V769 VanDerWaalsContact O-N 3.11Å; V769-T771 PolarHBondContact O-N 3.31Å; V769-L800 HydrophobicContact CB-CD1 3.63Å; V769-L800 HydrophobicContact CB-CD2 4.04Å; V769-L800 HydrophobicContact CB-CG 3.73Å; V769-L800 HydrophobicContact CG1-CD1 3.77Å; V769-L800 HydrophobicContact CG1-CG 4.43Å; V769-L800 HydrophobicContact CG2-CD1 4.14Å; V769-L800 HydrophobicContact CG2-CG 4.15Å
770D85Confident92.6Very high130 Ų13042.1 Ų42.170%0.69525%0.246SC*.THydrogen-bonded Turntrans-80.65.8-178.5-57.7-44000113.2
771T90.3Very high92.6Very high21 Ų2138.8 Ų38.813%0.12923%0.228CC..  trans-67142.1176.848.60000111.2T745 M748 D768 V769T745-T771 HydrophobicContact CG2-CG2 4.06Å; M748-T771 WeakPolarHBondContact CE-O 3.35Å; D768-T771 HydrophobicContact CB-CG2 3.87Å; D768-T771 WeakPolarHBondContact O-CG2 3.01Å; D768-T771 PolarHBondContact O-OG1 2.81Å; V769-T771 PolarHBondContact O-N 3.31Å
772I93.2Very high92.5Very high68 Ų6838.5 Ų38.535%0.34923%0.227SC..BIsolated β-bridgetrans-126.6137.9179.358172000111.5R777 T778I772-R777 WeakPolarHBondContact CA-O 3.49Å; I772-T778 HydrophobicContact CG2-CG2 3.89Å
773D93.2Very high92.5Very high5 Ų538.6 Ų38.63%0.02723%0.227CC..  trans-72.2173176.9805000112.3M748 T775 G776 R777M748-D773 HydrophobicContact SD-CB 4.13Å; D773-T775 VanDerWaalsContact CG-OG1 3.28Å; D773-T775 PolarHBondContact O-N 2.92Å; D773-T775 VanDerWaalsContact OD1-CA 3.31Å; D773-T775 WeakPolarHBondContact OD1-CA 3.24Å; D773-T775 WeakPolarHBondContact OD1-CB 3.21Å; D773-T775 PolarHBondContact OD1-N 3.45Å; D773-T775 PolarHBondContact OD1-OG1 3.2Å; D773-T775 PolarHBondContact OD2-OG1 3.05Å; D773-G776 PolarHBondContact O-N 3.09Å; D773-G776 PolarHBondContact OD1-N 3.4Å; D773-G776 VanDerWaalsContact OD1-N 3.14Å; D773-R777 PolarHBondContact N-O 3.15Å; D773-R777 PolarHBondContact OD1-N 3.18Å; D773-R777 IonicContact OD1-NE 3.4Å; D773-R777 IonicContact OD2-CZ 3.59Å; D773-R777 IonicContact OD2-NE 3.98Å; D773-R777 PolarHBondContact OD2-NE 2.82Å; D773-R777 IonicContact OD2-NH2 3.12Å; D773-R777 PolarHBondContact OD2-NH2 2.93Å
774S92.6Very high92.5Very high69 Ų6936.8 Ų36.848%0.48322%0.218SC..THydrogen-bonded Turntrans-55.2-12175.553.60000115.9H742H742-S774 VanDerWaalsContact O-CB 3.31Å; H742-S774 WeakPolarHBondContact O-CB 3.42Å; H742-S774 PolarHBondContact O-N 3.05Å; H742-S774 PolarHBondContact O-OG 3.33Å
775T91.6Very high92.6Very high41 Ų4134 Ų3425%0.25220%0.198SC..THydrogen-bonded Turntrans-104.30.1173.653.60000113.9D773 R777 D806 N807D773-T775 VanDerWaalsContact CG-OG1 3.28Å; D773-T775 PolarHBondContact O-N 2.92Å; D773-T775 VanDerWaalsContact OD1-CA 3.31Å; D773-T775 WeakPolarHBondContact OD1-CA 3.24Å; D773-T775 WeakPolarHBondContact OD1-CB 3.21Å; D773-T775 PolarHBondContact OD1-N 3.45Å; D773-T775 PolarHBondContact OD1-OG1 3.2Å; D773-T775 PolarHBondContact OD2-OG1 3.05Å; T775-R777 PolarHBondContact OG1-NE 2.86Å; T775-D806 WeakPolarHBondContact O-CB 3.44Å; T775-N807 WeakPolarHBondContact O-CB 3.38Å; T775-N807 PolarHBondContact O-N 3.36Å; T775-N807 PolarHBondContact O-ND2 3.35Å
776G92Very high92.5Very high7 Ų734.1 Ų34.17%0.07220%0.2CC..SBendtrans86.619.2-178.400000114D773 D806D773-G776 PolarHBondContact O-N 3.09Å; D773-G776 PolarHBondContact OD1-N 3.4Å; D773-G776 VanDerWaalsContact OD1-N 3.14Å; G776-D806 VanDerWaalsContact O-CA 3.32Å; G776-D806 WeakPolarHBondContact O-CA 3.29Å
777R93.8Very high92.5Very high60 Ų6032.5 Ų32.523%0.22618%0.184CC..  trans-95.5128.8-177.3-57.9177.7-56.6-170.7-2.1111.1I772 D773 T775 L782 D806 Y815I772-R777 WeakPolarHBondContact CA-O 3.49Å; D773-R777 PolarHBondContact N-O 3.15Å; D773-R777 PolarHBondContact OD1-N 3.18Å; D773-R777 IonicContact OD1-NE 3.4Å; D773-R777 IonicContact OD2-CZ 3.59Å; D773-R777 IonicContact OD2-NE 3.98Å; D773-R777 PolarHBondContact OD2-NE 2.82Å; D773-R777 IonicContact OD2-NH2 3.12Å; D773-R777 PolarHBondContact OD2-NH2 2.93Å; T775-R777 PolarHBondContact OG1-NE 2.86Å; R777-L782 HydrophobicContact CB-CD2 4.49Å; R777-D806 HydrophobicContact CG-CB 3.8Å; R777-Y815 VanDerWaalsContact CD-OH 3.31Å; R777-Y815 WeakPolarHBondContact CD-OH 3.43Å; R777-Y815 HydrophobicContact CG-CE2 4.48Å
778T93.9Very high92.4Very high7 Ų734 Ų344%0.04319%0.19CC..BIsolated β-bridgetrans-70.7165166.261.40000111.1I772 L780 S781 L782 H804I772-T778 HydrophobicContact CG2-CG2 3.89Å; T778-L780 PolarHBondContact O-N 3.38Å; T778-S781 PolarHBondContact O-N 2.91Å; T778-S781 VanDerWaalsContact O-N 3.14Å; T778-S781 PolarHBondContact OG1-N 3.02Å; T778-L782 PolarHBondContact O-N 3.5Å; T778-H804 HydrophobicContact CG2-CB 3.87Å
779V94.8Very high92.6Very high0 Ų032.1 Ų32.10%018%0.183CC..Hα-helixtrans-60.5-28.7171.461.10000113L747 M748 A751 L782 A783 L795 L800L747-V779 HydrophobicContact CD2-CG1 4.15Å; L747-V779 HydrophobicContact CG-CG1 4.41Å; L747-V779 HydrophobicContact CG-CG2 4.24Å; M748-V779 HydrophobicContact CG-CB 3.91Å; M748-V779 HydrophobicContact CG-CG2 4.38Å; A751-V779 HydrophobicContact CB-CG2 3.34Å; V779-L782 PolarHBondContact O-N 3.36Å; V779-A783 WeakPolarHBondContact O-CB 3.13Å; V779-A783 PolarHBondContact O-N 3.1Å; V779-L795 HydrophobicContact CG1-CD1 4.39Å; V779-L795 HydrophobicContact CG1-CD2 3.95Å; V779-L795 HydrophobicContact CG2-CD1 4.09Å; V779-L795 HydrophobicContact CG2-CD2 4.49Å; V779-L800 HydrophobicContact CG1-CD2 3.38Å
780L94.3Very high92.9Very high0 Ų035.8 Ų35.80%020%0.202CC..Hα-helixtrans-65.8-41.1174-176.658.9000112T778 L782 A783 A784 V792 L795 L796 L800 E802 P812 L828T778-L780 PolarHBondContact O-N 3.38Å; L780-L782 VanDerWaalsContact C-N 3.31Å; L780-L782 PolarHBondContact O-N 3.07Å; L780-A783 PolarHBondContact O-N 2.85Å; L780-A784 VanDerWaalsContact O-CB 3.24Å; L780-A784 WeakPolarHBondContact O-CB 3.24Å; L780-A784 PolarHBondContact O-N 3.11Å; L780-V792 HydrophobicContact CD1-CG1 4.19Å; L780-L795 HydrophobicContact CD1-CB 3.96Å; L780-L795 HydrophobicContact CD1-CD1 4.38Å; L780-L796 HydrophobicContact CD1-CG 4.31Å; L780-L796 HydrophobicContact CD2-CD2 3.87Å; L780-L796 HydrophobicContact CD2-CG 4.5Å; L780-L800 HydrophobicContact CB-CB 4.35Å; L780-L800 HydrophobicContact CB-CD2 3.99Å; L780-L800 HydrophobicContact CD2-CB 4.13Å; L780-E802 HydrophobicContact CD2-CB 3.87Å; L780-P812 HydrophobicContact CB-CG 4.23Å; L780-P812 HydrophobicContact CD2-CB 4.49Å; L780-P812 HydrophobicContact CD2-CG 4.02Å; L780-P812 HydrophobicContact CG-CB 4.02Å; L780-P812 HydrophobicContact CG-CG 3.78Å; L780-L828 HydrophobicContact CD1-CD2 4.34Å; L780-L828 HydrophobicContact CD2-CD2 4.27Å; L780-L828 HydrophobicContact CG-CD2 4.42Å
781S94.1Very high93.4Very high1 Ų129.6 Ų29.61%0.00717%0.169CC..Hα-helixtrans-62.1-37.9172.8-71.60000112.3T778 S785 P812T778-S781 PolarHBondContact O-N 2.91Å; T778-S781 VanDerWaalsContact O-N 3.14Å; T778-S781 PolarHBondContact OG1-N 3.02Å; S781-S785 VanDerWaalsContact O-CB 3.32Å; S781-S785 WeakPolarHBondContact O-CB 3.35Å; S781-S785 PolarHBondContact O-N 3.41Å; S781-P812 WeakPolarHBondContact OG-CD 3.5Å; S781-P812 WeakPolarHBondContact OG-CG 3.31Å
782L94.1Very high93.6Very high10 Ų1028.6 Ų28.65%0.05216%0.163CC..Hα-helixtrans-68-42.5175.5-63176.1000112.2M748 C752 R777 T778 V779 L780 S785 Q786M748-L782 HydrophobicContact CB-CD1 3.65Å; M748-L782 HydrophobicContact CG-CD1 3.79Å; M748-L782 HydrophobicContact SD-CD1 4.03Å; C752-L782 HydrophobicContact CB-CB 4.42Å; R777-L782 HydrophobicContact CB-CD2 4.49Å; T778-L782 PolarHBondContact O-N 3.5Å; V779-L782 PolarHBondContact O-N 3.36Å; L780-L782 VanDerWaalsContact C-N 3.31Å; L780-L782 PolarHBondContact O-N 3.07Å; L782-S785 PolarHBondContact O-N 3.15Å; L782-Q786 WeakPolarHBondContact O-CG 3.42Å; L782-Q786 PolarHBondContact O-N 2.88Å
783A95Very high93.5Very high1 Ų126 Ų261%0.00815%0.153CC..Hα-helixtrans-64-44.8175.600000112.2A751 V779 L780 S785 Q786 G787 I791 V792 L795A751-A783 HydrophobicContact CB-CB 4.32Å; V779-A783 WeakPolarHBondContact O-CB 3.13Å; V779-A783 PolarHBondContact O-N 3.1Å; L780-A783 PolarHBondContact O-N 2.85Å; A783-S785 VanDerWaalsContact C-N 3.34Å; A783-S785 PolarHBondContact O-N 3.15Å; A783-Q786 PolarHBondContact O-N 2.97Å; A783-Q786 VanDerWaalsContact O-N 3.17Å; A783-G787 PolarHBondContact O-N 3.31Å; A783-I791 HydrophobicContact CB-CG2 3.73Å; A783-V792 HydrophobicContact CB-CG2 3.9Å; A783-L795 HydrophobicContact CB-CD1 3.68Å
784A94.4Very high93.5Very high0 Ų026.4 Ų26.40%016%0.156CC..Hα-helixtrans-63-38.6178.100000112.1L780 Q786 G787 V792 P812 A816 H821 L828L780-A784 VanDerWaalsContact O-CB 3.24Å; L780-A784 WeakPolarHBondContact O-CB 3.24Å; L780-A784 PolarHBondContact O-N 3.11Å; A784-Q786 VanDerWaalsContact C-N 3.29Å; A784-Q786 PolarHBondContact O-N 2.84Å; A784-G787 PolarHBondContact O-N 2.77Å; A784-V792 HydrophobicContact CB-CG2 4.48Å; A784-P812 HydrophobicContact CB-CB 3.87Å; A784-P812 WeakPolarHBondContact CB-O 3.19Å; A784-A816 HydrophobicContact CB-CB 4.23Å; A784-H821 PolarHBondContact O-CD2 3.05Å; A784-H821 VanDerWaalsContact O-CD2 3.27Å; A784-L828 HydrophobicContact CB-CD1 4.1Å
785S94.9Very high93.5Very high27 Ų2723.1 Ų23.119%0.18913%0.133CC..Hα-helixtrans-62.6-32.3174.1-170.20000113.2S781 L782 A783 N819 H821S781-S785 VanDerWaalsContact O-CB 3.32Å; S781-S785 WeakPolarHBondContact O-CB 3.35Å; S781-S785 PolarHBondContact O-N 3.41Å; L782-S785 PolarHBondContact O-N 3.15Å; A783-S785 VanDerWaalsContact C-N 3.34Å; A783-S785 PolarHBondContact O-N 3.15Å; S785-N819 PolarHBondContact O-ND2 3.01Å; S785-N819 PolarHBondContact OG-ND2 2.91Å; S785-H821 PolarHBondContact O-CD2 3.26Å; S785-H821 PolarHBondContact O-NE2 2.86Å
786Q93.6Very high93.4Very high93 Ų9321.7 Ų21.744%0.43512%0.124SC..Hα-helixtrans-88.7-13.8177.8-62.3-70-0.300114C752 L782 A783 A784 N788C752-Q786 WeakPolarHBondContact O-CG 3.22Å; C752-Q786 PolarHBondContact O-NE2 3.46Å; C752-Q786 PolarHBondContact SG-NE2 3.08Å; C752-Q786 VanDerWaalsContact SG-NE2 3.42Å; L782-Q786 WeakPolarHBondContact O-CG 3.42Å; L782-Q786 PolarHBondContact O-N 2.88Å; A783-Q786 PolarHBondContact O-N 2.97Å; A783-Q786 VanDerWaalsContact O-N 3.17Å; A784-Q786 VanDerWaalsContact C-N 3.29Å; A784-Q786 PolarHBondContact O-N 2.84Å; Q786-N788 PolarHBondContact O-N 2.87Å
787G91.2Very high93.3Very high17 Ų1728.3 Ų28.318%0.17516%0.157CC..THydrogen-bonded Turntrans7519.1171.500000116.4A783 A784 P789 H821A783-G787 PolarHBondContact O-N 3.31Å; A784-G787 PolarHBondContact O-N 2.77Å; G787-P789 WeakPolarHBondContact O-CD 3.36Å; G787-H821 WeakPolarHBondContact CA-CD2 3.29Å; G787-H821 PolarHBondContact N-CD2 3.29Å; G787-H821 PolarHBondContact N-NE2 3.05Å
788N92.1Very high93Very high39 Ų3927.8 Ų27.821%0.20917%0.166CC..  trans-83.4105.7176.4-175.4-48.3000110.3Q786 D790 I791 V792Q786-N788 PolarHBondContact O-N 2.87Å; N788-D790 VanDerWaalsContact C-N 3.34Å; N788-D790 PolarHBondContact O-N 3.22Å; N788-D790 PolarHBondContact OD1-N 3.19Å; N788-D790 VanDerWaalsContact OD1-N 3.16Å; N788-I791 HydrophobicContact CB-CB 4.24Å; N788-I791 HydrophobicContact CB-CD1 4.12Å; N788-I791 HydrophobicContact CB-CG1 4.35Å; N788-I791 PolarHBondContact O-N 3.29Å; N788-I791 PolarHBondContact OD1-N 3.36Å; N788-V792 WeakPolarHBondContact O-CG2 3.34Å; N788-V792 PolarHBondContact O-N 3.47Å
789P92.9Very high92.5Very high52 Ų5230.3 Ų30.334%0.33819%0.193SC..Hα-helixtrans-67.5-34.4-174.329-35.5000112.3G787 I791 V792 G793 L827G787-P789 WeakPolarHBondContact O-CD 3.36Å; P789-I791 VanDerWaalsContact C-N 3.29Å; P789-I791 PolarHBondContact O-N 2.89Å; P789-V792 PolarHBondContact O-N 3.18Å; P789-G793 PolarHBondContact O-N 3.1Å; P789-L827 HydrophobicContact CB-CD1 3.68Å; P789-L827 WeakPolarHBondContact O-CD1 3.38Å
790D93.9Very high92.1Very high104 Ų10430.6 Ų30.656%0.55620%0.195SC*.Hα-helixtrans-64.7-36.1-179.3-56.6-29.6000111.4R756 N788 A794R756-D790 HydrophobicContact CG-CB 4.34Å; R756-D790 PolarHBondContact NE-O 2.96Å; N788-D790 VanDerWaalsContact C-N 3.34Å; N788-D790 PolarHBondContact O-N 3.22Å; N788-D790 PolarHBondContact OD1-N 3.19Å; N788-D790 VanDerWaalsContact OD1-N 3.16Å; D790-A794 VanDerWaalsContact O-CB 3.3Å; D790-A794 WeakPolarHBondContact O-CB 3.19Å; D790-A794 PolarHBondContact O-N 2.79Å
791I95.2Very high91.7Very high0 Ų034.1 Ų34.10%021%0.214CC..Hα-helixtrans-75.7-44.1175.5-66.4174.3000110.8A751 G754 R756 V759 A783 N788 P789 G793 A794 L795A751-I791 HydrophobicContact CB-CG2 3.96Å; G754-I791 VanDerWaalsContact C-CD1 3.45Å; R756-I791 HydrophobicContact CB-CD1 4.45Å; R756-I791 HydrophobicContact CB-CG1 4.15Å; R756-I791 HydrophobicContact CG-CG1 4.47Å; V759-I791 HydrophobicContact CG1-CG2 4.42Å; V759-I791 HydrophobicContact CG2-CD1 4.42Å; V759-I791 HydrophobicContact CG2-CG2 4.31Å; A783-I791 HydrophobicContact CB-CG2 3.73Å; N788-I791 HydrophobicContact CB-CB 4.24Å; N788-I791 HydrophobicContact CB-CD1 4.12Å; N788-I791 HydrophobicContact CB-CG1 4.35Å; N788-I791 PolarHBondContact O-N 3.29Å; N788-I791 PolarHBondContact OD1-N 3.36Å; P789-I791 VanDerWaalsContact C-N 3.29Å; P789-I791 PolarHBondContact O-N 2.89Å; I791-G793 PolarHBondContact O-N 3.46Å; I791-A794 PolarHBondContact O-N 3.1Å; I791-L795 HydrophobicContact CG2-CD1 3.88Å; I791-L795 HydrophobicContact CG2-CG 4.43Å; I791-L795 WeakPolarHBondContact O-CG 3.26Å; I791-L795 PolarHBondContact O-N 3.09Å
792V94.5Very high91.4Very high0 Ų034.9 Ų34.90%022%0.217CC..Hα-helixtrans-58.8-48.4177.21680000110.6L780 A783 A784 N788 P789 A794 L795 L796 A824 L827 L828L780-V792 HydrophobicContact CD1-CG1 4.19Å; A783-V792 HydrophobicContact CB-CG2 3.9Å; A784-V792 HydrophobicContact CB-CG2 4.48Å; N788-V792 WeakPolarHBondContact O-CG2 3.34Å; N788-V792 PolarHBondContact O-N 3.47Å; P789-V792 PolarHBondContact O-N 3.18Å; V792-A794 PolarHBondContact O-N 3.42Å; V792-L795 PolarHBondContact O-N 3.32Å; V792-L796 HydrophobicContact CG1-CD1 3.9Å; V792-L796 WeakPolarHBondContact O-CG 3.14Å; V792-L796 PolarHBondContact O-N 2.87Å; V792-A824 HydrophobicContact CG2-CB 4.11Å; V792-L827 HydrophobicContact CB-CD1 4.48Å; V792-L827 HydrophobicContact CG1-CB 4.17Å; V792-L827 HydrophobicContact CG1-CD1 4.37Å; V792-L828 HydrophobicContact CG1-CD2 4.33Å; V792-L828 HydrophobicContact CG1-CG 4.11Å
793G92.6Very high91.1Very high13 Ų1337.2 Ų37.213%0.13423%0.229CC..Hα-helixtrans-63.2-37.2177.100000113.3P789 I791 L796 L797P789-G793 PolarHBondContact O-N 3.1Å; I791-G793 PolarHBondContact O-N 3.46Å; G793-L796 PolarHBondContact O-N 2.87Å; G793-L797 WeakPolarHBondContact O-CB 3.35Å; G793-L797 VanDerWaalsContact O-CG 3.25Å; G793-L797 WeakPolarHBondContact O-CG 3.44Å; G793-L797 PolarHBondContact O-N 2.95Å
794A91.6Very high90.9Very high13 Ų1339.7 Ų39.711%0.10724%0.24CC..Hα-helixtrans-69.2-35.4176.700000113.4R756 D790 I791 V792 A798R756-A794 VanDerWaalsContact NH1-CB 3.34Å; D790-A794 VanDerWaalsContact O-CB 3.3Å; D790-A794 WeakPolarHBondContact O-CB 3.19Å; D790-A794 PolarHBondContact O-N 2.79Å; I791-A794 PolarHBondContact O-N 3.1Å; V792-A794 PolarHBondContact O-N 3.42Å; A794-A798 PolarHBondContact O-N 3.47Å; A794-A798 VanDerWaalsContact O-N 3.08Å
795L92.8Very high90.8Very high0 Ų044.6 Ų44.60%026%0.258CS..Hα-helixtrans-70.6-41.7173.7-70.1170.1000111.1V759 L763 V779 L780 A783 I791 V792 L797 A798 G799 L800V759-L795 HydrophobicContact CG1-CD2 4.38Å; L763-L795 HydrophobicContact CD1-CD2 4.2Å; L763-L795 HydrophobicContact CD2-CD2 4.32Å; V779-L795 HydrophobicContact CG1-CD1 4.39Å; V779-L795 HydrophobicContact CG1-CD2 3.95Å; V779-L795 HydrophobicContact CG2-CD1 4.09Å; V779-L795 HydrophobicContact CG2-CD2 4.49Å; L780-L795 HydrophobicContact CD1-CB 3.96Å; L780-L795 HydrophobicContact CD1-CD1 4.38Å; A783-L795 HydrophobicContact CB-CD1 3.68Å; I791-L795 HydrophobicContact CG2-CD1 3.88Å; I791-L795 HydrophobicContact CG2-CG 4.43Å; I791-L795 WeakPolarHBondContact O-CG 3.26Å; I791-L795 PolarHBondContact O-N 3.09Å; V792-L795 PolarHBondContact O-N 3.32Å; L795-L797 VanDerWaalsContact C-N 3.32Å; L795-L797 PolarHBondContact O-N 2.71Å; L795-A798 WeakPolarHBondContact O-CA 3.31Å; L795-A798 WeakPolarHBondContact O-CB 3.34Å; L795-A798 PolarHBondContact O-N 3.38Å; L795-G799 PolarHBondContact O-N 2.95Å; L795-L800 HydrophobicContact CB-CD1 4.05Å; L795-L800 HydrophobicContact CB-CD2 4.5Å; L795-L800 HydrophobicContact CD2-CD1 3.92Å; L795-L800 HydrophobicContact CD2-CD2 4.18Å; L795-L800 WeakPolarHBondContact O-CD1 3.27Å; L795-L800 PolarHBondContact O-N 3.1Å
796L91Very high90.7Very high11 Ų1143.7 Ų43.76%0.05825%0.251CS..Hα-helixtrans-61.2-39.2172.7-70.4168000112.1L780 V792 G793 A798 G799 E802 L827 L828L780-L796 HydrophobicContact CD1-CG 4.31Å; L780-L796 HydrophobicContact CD2-CD2 3.87Å; L780-L796 HydrophobicContact CD2-CG 4.5Å; V792-L796 HydrophobicContact CG1-CD1 3.9Å; V792-L796 WeakPolarHBondContact O-CG 3.14Å; V792-L796 PolarHBondContact O-N 2.87Å; G793-L796 PolarHBondContact O-N 2.87Å; L796-A798 VanDerWaalsContact C-N 3.26Å; L796-A798 PolarHBondContact O-N 3.38Å; L796-G799 PolarHBondContact O-N 2.92Å; L796-G799 VanDerWaalsContact O-N 3.11Å; L796-E802 HydrophobicContact CD2-CB 3.86Å; L796-E802 HydrophobicContact CD2-CG 4.41Å; L796-L827 HydrophobicContact CD1-CB 4.18Å; L796-L828 HydrophobicContact CD1-CD2 4.21Å; L796-L828 HydrophobicContact CD2-CD2 4.18Å
797L88.6Confident90.6Very high147 Ų14744.5 Ų44.577%0.7726%0.259SS*.Hα-helixtrans-69.2-19.9173.1-73.3170.2000113.9G793 L795 G799G793-L797 WeakPolarHBondContact O-CB 3.35Å; G793-L797 VanDerWaalsContact O-CG 3.25Å; G793-L797 WeakPolarHBondContact O-CG 3.44Å; G793-L797 PolarHBondContact O-N 2.95Å; L795-L797 VanDerWaalsContact C-N 3.32Å; L795-L797 PolarHBondContact O-N 2.71Å; L797-G799 VanDerWaalsContact C-N 3.31Å
798A86.9Confident90.6Very high48 Ų4848.1 Ų48.140%0.39727%0.274SS..THydrogen-bonded Turntrans-83.8-5.1170.900000113.2L763 A794 L795 L796 L800L763-A798 HydrophobicContact CD1-CB 4.34Å; L763-A798 HydrophobicContact CD2-CB 4.17Å; A794-A798 PolarHBondContact O-N 3.47Å; A794-A798 VanDerWaalsContact O-N 3.08Å; L795-A798 WeakPolarHBondContact O-CA 3.31Å; L795-A798 WeakPolarHBondContact O-CB 3.34Å; L795-A798 PolarHBondContact O-N 3.38Å; L796-A798 VanDerWaalsContact C-N 3.26Å; L796-A798 PolarHBondContact O-N 3.38Å; A798-L800 HydrophobicContact CB-CD1 3.89Å
799G84.3Confident90.6Very high61 Ų6146.4 Ų46.463%0.62927%0.265SS*.THydrogen-bonded Turntrans8723.517400000115.6L795 L796 L797L795-G799 PolarHBondContact O-N 2.95Å; L796-G799 PolarHBondContact O-N 2.92Å; L796-G799 VanDerWaalsContact O-N 3.11Å; L797-G799 VanDerWaalsContact C-N 3.31Å
800L87.2Confident90.7Very high6 Ų645.6 Ų45.63%0.03126%0.255CS..  trans-69.6136.2175.2-78.786.6000112.2V769 V779 L780 L795 A798 E802V769-L800 HydrophobicContact CB-CD1 3.63Å; V769-L800 HydrophobicContact CB-CD2 4.04Å; V769-L800 HydrophobicContact CB-CG 3.73Å; V769-L800 HydrophobicContact CG1-CD1 3.77Å; V769-L800 HydrophobicContact CG1-CG 4.43Å; V769-L800 HydrophobicContact CG2-CD1 4.14Å; V769-L800 HydrophobicContact CG2-CG 4.15Å; V779-L800 HydrophobicContact CG1-CD2 3.38Å; L780-L800 HydrophobicContact CB-CB 4.35Å; L780-L800 HydrophobicContact CB-CD2 3.99Å; L780-L800 HydrophobicContact CD2-CB 4.13Å; L795-L800 HydrophobicContact CB-CD1 4.05Å; L795-L800 HydrophobicContact CB-CD2 4.5Å; L795-L800 HydrophobicContact CD2-CD1 3.92Å; L795-L800 HydrophobicContact CD2-CD2 4.18Å; L795-L800 WeakPolarHBondContact O-CD1 3.27Å; L795-L800 PolarHBondContact O-N 3.1Å; A798-L800 HydrophobicContact CB-CD1 3.89Å; L800-E802 PolarHBondContact O-N 2.81Å; L800-E802 VanDerWaalsContact O-N 3.12Å
801D85.9Confident90.7Very high74 Ų7440.6 Ų40.640%0.39623%0.229SC..  trans-58.3107.1174.2175.817.2000112.3M803 H804D801-M803 PolarHBondContact O-N 3.41Å; D801-M803 VanDerWaalsContact OD1-CA 3.32Å; D801-M803 WeakPolarHBondContact OD1-CA 3.49Å; D801-M803 VanDerWaalsContact OD1-CB 3.22Å; D801-M803 WeakPolarHBondContact OD1-CB 3.22Å; D801-M803 PolarHBondContact OD1-N 3.39Å; D801-H804 HydrophobicContact CB-CB 4.32Å; D801-H804 PolarHBondContact OD1-N 2.97Å; D801-H804 WeakPolarHBondContact OD2-CA 3.41Å; D801-H804 WeakPolarHBondContact OD2-CB 3.44Å; D801-H804 PolarHBondContact OD2-N 3.28Å; D801-H804 IonicContact OD2-ND1 3.26Å
802E86Confident90.7Very high17 Ų1740.6 Ų40.68%0.07923%0.229CC..THydrogen-bonded Turntrans-78.5-5.2175.172.9-94.9-129.400114.4L780 L796 L800 P812 L828 H831 H832 T835L780-E802 HydrophobicContact CD2-CB 3.87Å; L796-E802 HydrophobicContact CD2-CB 3.86Å; L796-E802 HydrophobicContact CD2-CG 4.41Å; L800-E802 PolarHBondContact O-N 2.81Å; L800-E802 VanDerWaalsContact O-N 3.12Å; E802-P812 WeakPolarHBondContact O-CD 3.38Å; E802-L828 HydrophobicContact CB-CD2 3.95Å; E802-H831 WeakPolarHBondContact OE1-CB 3.34Å; E802-H832 IonicContact OE1-CD2 2.81Å; E802-H832 PolarHBondContact OE1-CD2 2.95Å; E802-H832 IonicContact OE1-CG 3.83Å; E802-T835 HydrophobicContact CG-CG2 3.43Å; E802-T835 VanDerWaalsContact CG-CG2 3.43Å
803M88.5Confident90.7Very high59 Ų5940.7 Ų40.729%0.29123%0.229SC..THydrogen-bonded Turntrans-95.1-12.7176.6-51.5-70.7-90.300112.6D801 R805 E834 T835 L838D801-M803 PolarHBondContact O-N 3.41Å; D801-M803 VanDerWaalsContact OD1-CA 3.32Å; D801-M803 WeakPolarHBondContact OD1-CA 3.49Å; D801-M803 VanDerWaalsContact OD1-CB 3.22Å; D801-M803 WeakPolarHBondContact OD1-CB 3.22Å; D801-M803 PolarHBondContact OD1-N 3.39Å; M803-R805 WeakPolarHBondContact O-CG 3.22Å; M803-R805 PolarHBondContact O-N 3.23Å; M803-E834 HydrophobicContact CE-CB 4.24Å; M803-T835 HydrophobicContact SD-CG2 3.49Å; M803-T835 WeakPolarHBondContact SD-CG2 3.29Å; M803-L838 HydrophobicContact CE-CD1 4.47Å; M803-L838 HydrophobicContact CE-CD2 3.82Å; M803-L838 HydrophobicContact CE-CG 4.25Å; M803-L838 HydrophobicContact SD-CD1 3.79Å; M803-L838 HydrophobicContact SD-CD2 4.18Å; M803-L838 HydrophobicContact SD-CG 4.19Å
804H91.1Very high90.8Very high53 Ų5340 Ų4025%0.24522%0.223CC..  trans-54.2133.4-175.4-167.694.6000112.3T778 D801 A811T778-H804 HydrophobicContact CG2-CB 3.87Å; D801-H804 HydrophobicContact CB-CB 4.32Å; D801-H804 PolarHBondContact OD1-N 2.97Å; D801-H804 WeakPolarHBondContact OD2-CA 3.41Å; D801-H804 WeakPolarHBondContact OD2-CB 3.44Å; D801-H804 PolarHBondContact OD2-N 3.28Å; D801-H804 IonicContact OD2-ND1 3.26Å; H804-A811 VanDerWaalsContact O-CA 3.23Å; H804-A811 WeakPolarHBondContact O-CA 3.2Å
805R92.1Very high91Very high102 Ų10240.5 Ų40.539%0.38522%0.222SC..  trans-113.3131.5-174.5-62.2-175.9179.8-148.6-5.9112.7M803 S839M803-R805 WeakPolarHBondContact O-CG 3.22Å; M803-R805 PolarHBondContact O-N 3.23Å; R805-S839 VanDerWaalsContact CZ-O 3.25Å; R805-S839 PolarHBondContact NH1-O 3.04Å; R805-S839 PolarHBondContact NH2-O 2.84Å
806D93.3Very high91.1Very high8 Ų840.5 Ų40.54%0.04322%0.222CC..  trans-73.3-178.6172.182.80.1000113.2T775 G776 R777 N808 G809 W810 Y815T775-D806 WeakPolarHBondContact O-CB 3.44Å; G776-D806 VanDerWaalsContact O-CA 3.32Å; G776-D806 WeakPolarHBondContact O-CA 3.29Å; R777-D806 HydrophobicContact CG-CB 3.8Å; D806-N808 PolarHBondContact O-N 2.95Å; D806-N808 WeakPolarHBondContact OD1-CA 3.28Å; D806-N808 WeakPolarHBondContact OD1-CB 3.28Å; D806-N808 PolarHBondContact OD1-N 2.64Å; D806-G809 WeakPolarHBondContact O-CA 3.36Å; D806-G809 PolarHBondContact O-N 3.3Å; D806-G809 PolarHBondContact OD1-N 2.98Å; D806-W810 PolarHBondContact N-O 2.8Å; D806-W810 WeakPolarHBondContact OD1-CB 3.36Å; D806-W810 PolarHBondContact OD1-N 3.07Å; D806-Y815 PolarHBondContact OD2-OH 3.5Å
807N91.9Very high91.4Very high111 Ų11140 Ų4059%0.59422%0.219SC*.THydrogen-bonded Turntrans-59.7-16.7-179.5-68.6-19.2000114.6T775 N841T775-N807 WeakPolarHBondContact O-CB 3.38Å; T775-N807 PolarHBondContact O-N 3.36Å; T775-N807 PolarHBondContact O-ND2 3.35Å; N807-N841 PolarHBondContact O-ND2 3.37Å
808N90.3Very high91.7Very high93 Ų9333.9 Ų33.950%0.49719%0.189SC..THydrogen-bonded Turntrans-971.1174.6-52.6-67.7000112.9D806 W810 N841D806-N808 PolarHBondContact O-N 2.95Å; D806-N808 WeakPolarHBondContact OD1-CA 3.28Å; D806-N808 WeakPolarHBondContact OD1-CB 3.28Å; D806-N808 PolarHBondContact OD1-N 2.64Å; N808-W810 VanDerWaalsContact C-N 3.35Å; N808-N841 WeakPolarHBondContact O-CB 3.37Å; N808-N841 PolarHBondContact O-N 3.48Å; N808-N841 PolarHBondContact O-ND2 3.16Å
809G92.3Very high92.1Very high2 Ų234.3 Ų34.32%0.02118%0.184CC..SBendtrans83.38.2-173.200000113.8D806 N841D806-G809 WeakPolarHBondContact O-CA 3.36Å; D806-G809 PolarHBondContact O-N 3.3Å; D806-G809 PolarHBondContact OD1-N 2.98Å; G809-N841 WeakPolarHBondContact CA-OD1 3.43Å; G809-N841 PolarHBondContact N-ND2 3.19Å
810W94.9Very high92.7Very high35 Ų3532.5 Ų32.513%0.13317%0.166CC..  trans-84.5123-174.1-78.637.9000111.8D806 N808 H814 Y815 C818 D840 L849D806-W810 PolarHBondContact N-O 2.8Å; D806-W810 WeakPolarHBondContact OD1-CB 3.36Å; D806-W810 PolarHBondContact OD1-N 3.07Å; N808-W810 VanDerWaalsContact C-N 3.35Å; W810-H814 HydrophobicContact CB-CB 4.18Å; W810-H814 HydrophobicContact CD2-CB 3.78Å; W810-H814 HydrophobicContact CE3-CB 3.75Å; W810-H814 HydrophobicContact CG-CB 4Å; W810-H814 HydrophobicContact CZ3-CB 4.38Å; W810-Y815 HydrophobicContact CB-CD2 4.19Å; W810-Y815 HydrophobicContact CB-CE2 3.65Å; W810-Y815 HydrophobicContact CE3-CD1 4.08Å; W810-Y815 HydrophobicContact CE3-CD2 4.08Å; W810-Y815 HydrophobicContact CE3-CE1 4.04Å; W810-Y815 HydrophobicContact CE3-CE2 4.03Å; W810-Y815 HydrophobicContact CE3-CG 4.09Å; W810-Y815 HydrophobicContact CG-CE2 4.5Å; W810-Y815 HydrophobicContact CZ3-CD1 4.35Å; W810-Y815 HydrophobicContact CZ3-CE1 4.47Å; W810-C818 HydrophobicContact CH2-CB 3.84Å; W810-C818 HydrophobicContact CZ3-CB 3.84Å; W810-D840 VanDerWaalsContact CD1-CB 3.43Å; W810-D840 PolarHBondContact NE1-OD2 3.03Å; W810-D840 VanDerWaalsContact NE1-OD2 3.07Å; W810-L849 HydrophobicContact CH2-CD1 3.67Å; W810-L849 HydrophobicContact CH2-CD2 4.27Å; W810-L849 HydrophobicContact CZ2-CD1 3.58Å; W810-L849 HydrophobicContact CZ2-CD2 3.9Å; W810-L849 HydrophobicContact CZ2-CG 4.42Å; W810-L849 HydrophobicContact CZ3-CD1 4.18Å
811A93.8Very high93.1Very high0 Ų034.6 Ų34.60%018%0.175CC..  trans-90.4163.7168.200000112.4H804 L813 H814 Y815 L838H804-A811 VanDerWaalsContact O-CA 3.23Å; H804-A811 WeakPolarHBondContact O-CA 3.2Å; A811-L813 PolarHBondContact O-N 3.28Å; A811-H814 PolarHBondContact N-ND1 3.43Å; A811-H814 VanDerWaalsContact N-ND1 3.15Å; A811-H814 WeakPolarHBondContact O-CB 3.49Å; A811-H814 PolarHBondContact O-N 2.84Å; A811-Y815 PolarHBondContact O-N 2.92Å; A811-L838 HydrophobicContact CB-CD1 3.62Å
812P94.2Very high93.6Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-46.5-37.7178.3-29.331.7000114.9L780 S781 A784 E802 H814 Y815 A816 L828L780-P812 HydrophobicContact CB-CG 4.23Å; L780-P812 HydrophobicContact CD2-CB 4.49Å; L780-P812 HydrophobicContact CD2-CG 4.02Å; L780-P812 HydrophobicContact CG-CB 4.02Å; L780-P812 HydrophobicContact CG-CG 3.78Å; S781-P812 WeakPolarHBondContact OG-CD 3.5Å; S781-P812 WeakPolarHBondContact OG-CG 3.31Å; A784-P812 HydrophobicContact CB-CB 3.87Å; A784-P812 WeakPolarHBondContact CB-O 3.19Å; E802-P812 WeakPolarHBondContact O-CD 3.38Å; P812-H814 PolarHBondContact O-N 3.37Å; P812-Y815 WeakPolarHBondContact O-CB 3.4Å; P812-Y815 PolarHBondContact O-N 3.25Å; P812-A816 PolarHBondContact O-N 3.28Å; P812-L828 HydrophobicContact CB-CD1 4.07Å; P812-L828 HydrophobicContact CB-CD2 3.94Å
813L95Very high94Very high1 Ų135.7 Ų35.71%0.00519%0.19CC..Hα-helixtrans-67.5-30.5179.3-172.458.9000113.5A811 S817 C825 L828 C829 P846 L862A811-L813 PolarHBondContact O-N 3.28Å; L813-S817 WeakPolarHBondContact O-CB 3.36Å; L813-S817 PolarHBondContact O-N 3.02Å; L813-S817 PolarHBondContact O-OG 3.45Å; L813-C825 HydrophobicContact CD1-CB 4.08Å; L813-L828 HydrophobicContact CB-CD1 4.31Å; L813-L828 HydrophobicContact CD1-CB 4.04Å; L813-L828 HydrophobicContact CD1-CD1 4.22Å; L813-C829 VanDerWaalsContact CD2-SG 3.56Å; L813-P846 HydrophobicContact CB-CG 4.24Å; L813-P846 HydrophobicContact CD2-CB 4.26Å; L813-P846 HydrophobicContact CD2-CG 3.98Å; L813-P846 HydrophobicContact CG-CB 3.88Å; L813-P846 HydrophobicContact CG-CG 3.83Å; L813-L862 HydrophobicContact CD1-CD2 4.11Å; L813-L862 HydrophobicContact CD2-CD2 4.15Å; L813-L862 HydrophobicContact CG-CD2 4.37Å
814H95.6Very high94.3Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-65.5-43.9171.6-62.787.5000110.9W810 A811 P812 S817 C818 D840 R844 L849W810-H814 HydrophobicContact CB-CB 4.18Å; W810-H814 HydrophobicContact CD2-CB 3.78Å; W810-H814 HydrophobicContact CE3-CB 3.75Å; W810-H814 HydrophobicContact CG-CB 4Å; W810-H814 HydrophobicContact CZ3-CB 4.38Å; A811-H814 PolarHBondContact N-ND1 3.43Å; A811-H814 VanDerWaalsContact N-ND1 3.15Å; A811-H814 WeakPolarHBondContact O-CB 3.49Å; A811-H814 PolarHBondContact O-N 2.84Å; P812-H814 PolarHBondContact O-N 3.37Å; H814-S817 PolarHBondContact O-N 2.69Å; H814-C818 WeakPolarHBondContact O-CB 3.49Å; H814-C818 PolarHBondContact O-N 2.83Å; H814-D840 PolarHBondContact NE2-N 3.15Å; H814-R844 PolarHBondContact NE2-O 2.91Å; H814-L849 HydrophobicContact CB-CD1 3.71Å
815Y95.2Very high94.4Very high22 Ų2230.4 Ų30.49%0.08616%0.164CC..Hα-helixtrans-62.1-47.7177.1-81.6-76.4000112.5R777 D806 W810 A811 P812 S817 N819R777-Y815 VanDerWaalsContact CD-OH 3.31Å; R777-Y815 WeakPolarHBondContact CD-OH 3.43Å; R777-Y815 HydrophobicContact CG-CE2 4.48Å; D806-Y815 PolarHBondContact OD2-OH 3.5Å; W810-Y815 HydrophobicContact CB-CD2 4.19Å; W810-Y815 HydrophobicContact CB-CE2 3.65Å; W810-Y815 HydrophobicContact CE3-CD1 4.08Å; W810-Y815 HydrophobicContact CE3-CD2 4.08Å; W810-Y815 HydrophobicContact CE3-CE1 4.04Å; W810-Y815 HydrophobicContact CE3-CE2 4.03Å; W810-Y815 HydrophobicContact CE3-CG 4.09Å; W810-Y815 HydrophobicContact CG-CE2 4.5Å; W810-Y815 HydrophobicContact CZ3-CD1 4.35Å; W810-Y815 HydrophobicContact CZ3-CE1 4.47Å; A811-Y815 PolarHBondContact O-N 2.92Å; P812-Y815 WeakPolarHBondContact O-CB 3.4Å; P812-Y815 PolarHBondContact O-N 3.25Å; Y815-S817 VanDerWaalsContact C-N 3.33Å; Y815-S817 PolarHBondContact O-N 2.85Å; Y815-N819 WeakPolarHBondContact O-CB 3.12Å; Y815-N819 PolarHBondContact O-N 2.93Å
816A96Very high94.5Very high0 Ų027.1 Ų27.10%016%0.159CC..Hα-helixtrans-62.6-40.5175.900000112A784 P812 G820 H821 A824 C825 L828A784-A816 HydrophobicContact CB-CB 4.23Å; P812-A816 PolarHBondContact O-N 3.28Å; A816-G820 PolarHBondContact O-N 3.3Å; A816-H821 HydrophobicContact CB-CB 4.33Å; A816-H821 PolarHBondContact O-N 2.63Å; A816-A824 HydrophobicContact CB-CB 3.86Å; A816-C825 VanDerWaalsContact C-SG 3.54Å; A816-C825 VanDerWaalsContact CB-SG 3.53Å; A816-L828 HydrophobicContact CB-CD1 4.07Å
817S96Very high94.5Very high0 Ų029.1 Ų29.10%017%0.169CC..Hα-helixtrans-78.1-36.3-173.3-53.60000113.4L813 H814 Y815 N819 G820 C825 P846 H855L813-S817 WeakPolarHBondContact O-CB 3.36Å; L813-S817 PolarHBondContact O-N 3.02Å; L813-S817 PolarHBondContact O-OG 3.45Å; H814-S817 PolarHBondContact O-N 2.69Å; Y815-S817 VanDerWaalsContact C-N 3.33Å; Y815-S817 PolarHBondContact O-N 2.85Å; S817-N819 VanDerWaalsContact C-N 3.33Å; S817-G820 PolarHBondContact O-N 3.47Å; S817-C825 PolarHBondContact OG-SG 3.2Å; S817-C825 VanDerWaalsContact OG-SG 3.34Å; S817-P846 WeakPolarHBondContact CB-O 3.43Å; S817-H855 PolarHBondContact O-CD2 3Å
818C95.8Very high94.5Very high20 Ų2023.8 Ų23.814%0.13514%0.141CC..Hα-helixtrans-64.1-36.6172.1-1750000112.3W810 H814 L849 H855W810-C818 HydrophobicContact CH2-CB 3.84Å; W810-C818 HydrophobicContact CZ3-CB 3.84Å; H814-C818 WeakPolarHBondContact O-CB 3.49Å; H814-C818 PolarHBondContact O-N 2.83Å; C818-L849 HydrophobicContact CB-CB 4.24Å; C818-L849 HydrophobicContact CB-CD1 4.34Å; C818-H855 PolarHBondContact O-CD2 3.12Å; C818-H855 PolarHBondContact O-NE2 3.42Å
819N95.5Very high94.5Very high56 Ų5619.5 Ų19.530%0.29912%0.118SC..THydrogen-bonded Turntrans-912.1-177.8-66.8-10.5000114S785 Y815 S817 H821S785-N819 PolarHBondContact O-ND2 3.01Å; S785-N819 PolarHBondContact OG-ND2 2.91Å; Y815-N819 WeakPolarHBondContact O-CB 3.12Å; Y815-N819 PolarHBondContact O-N 2.93Å; S817-N819 VanDerWaalsContact C-N 3.33Å; N819-H821 VanDerWaalsContact CB-CD2 3.4Å; N819-H821 WeakPolarHBondContact CB-CD2 3.46Å; N819-H821 WeakPolarHBondContact CB-NE2 3.33Å
820G95.4Very high94.2Very high23 Ų2322.6 Ų22.624%0.23714%0.14CC..THydrogen-bonded Turntrans8015.6175.700000115.6A816 S817 L822 H855A816-G820 PolarHBondContact O-N 3.3Å; S817-G820 PolarHBondContact O-N 3.47Å; G820-L822 PolarHBondContact O-N 3.19Å; G820-H855 VanDerWaalsContact CA-CG 3.48Å; G820-H855 PolarHBondContact N-CD2 3.04Å
821H97Very high93.3Very high51 Ų5124.5 Ų24.524%0.23615%0.15CC..  trans-83.570.3-167.9-65.1-47000113.6A784 S785 G787 A816 N819 G823 A824 C825A784-H821 PolarHBondContact O-CD2 3.05Å; A784-H821 VanDerWaalsContact O-CD2 3.27Å; S785-H821 PolarHBondContact O-CD2 3.26Å; S785-H821 PolarHBondContact O-NE2 2.86Å; G787-H821 WeakPolarHBondContact CA-CD2 3.29Å; G787-H821 PolarHBondContact N-CD2 3.29Å; G787-H821 PolarHBondContact N-NE2 3.05Å; A816-H821 HydrophobicContact CB-CB 4.33Å; A816-H821 PolarHBondContact O-N 2.63Å; N819-H821 VanDerWaalsContact CB-CD2 3.4Å; N819-H821 WeakPolarHBondContact CB-CD2 3.46Å; N819-H821 WeakPolarHBondContact CB-NE2 3.33Å; H821-G823 VanDerWaalsContact C-N 3.28Å; H821-G823 PolarHBondContact O-N 3.24Å; H821-G823 VanDerWaalsContact O-N 3.08Å; H821-A824 HydrophobicContact CB-CB 4.07Å; H821-A824 PolarHBondContact O-N 3.46Å; H821-C825 PolarHBondContact O-N 2.77Å
822L95.8Very high92Very high79 Ų7930.3 Ų30.341%0.41418%0.176SC..Hα-helixtrans-41.7-47.5-177.9177.360.6000114.7G820 A824 C825 A826 D857 V858 C861G820-L822 PolarHBondContact O-N 3.19Å; L822-A824 PolarHBondContact O-N 3.44Å; L822-C825 PolarHBondContact O-N 3.31Å; L822-A826 WeakPolarHBondContact O-CB 3.38Å; L822-A826 PolarHBondContact O-N 3.24Å; L822-D857 WeakPolarHBondContact CD1-O 3.01Å; L822-D857 HydrophobicContact CD2-CB 4.25Å; L822-V858 HydrophobicContact CB-CG2 4.33Å; L822-C861 HydrophobicContact CD1-CB 3.54Å
823G94.3Very high90.5Very high35 Ų3533.1 Ų33.136%0.36121%0.205SC..Hα-helixtrans-66.4-34.8-179.400000113.9H821 L827H821-G823 VanDerWaalsContact C-N 3.28Å; H821-G823 PolarHBondContact O-N 3.24Å; H821-G823 VanDerWaalsContact O-N 3.08Å; G823-L827 WeakPolarHBondContact O-CG 3.49Å; G823-L827 PolarHBondContact O-N 3.02Å
824A94.4Very high89.3Confident0 Ų040.9 Ų40.90%024%0.242CC..Hα-helixtrans-73.9-42.5174.500000111.2V792 A816 H821 L822 A826 L827 L828V792-A824 HydrophobicContact CG2-CB 4.11Å; A816-A824 HydrophobicContact CB-CB 3.86Å; H821-A824 HydrophobicContact CB-CB 4.07Å; H821-A824 PolarHBondContact O-N 3.46Å; L822-A824 PolarHBondContact O-N 3.44Å; A824-A826 PolarHBondContact O-N 2.96Å; A824-L827 PolarHBondContact O-N 2.99Å; A824-L828 WeakPolarHBondContact O-CB 3.47Å; A824-L828 WeakPolarHBondContact O-CD1 3.21Å; A824-L828 VanDerWaalsContact O-CG 3.26Å; A824-L828 WeakPolarHBondContact O-CG 3.4Å; A824-L828 PolarHBondContact O-N 3.35Å
825C94.4Very high88.3Confident0 Ų040.9 Ų40.90%024%0.242CC..Hα-helixtrans-57.8-47.9174.1-63.50000111.7L813 A816 S817 H821 L822 L827 L828 C829 V858L813-C825 HydrophobicContact CD1-CB 4.08Å; A816-C825 VanDerWaalsContact C-SG 3.54Å; A816-C825 VanDerWaalsContact CB-SG 3.53Å; S817-C825 PolarHBondContact OG-SG 3.2Å; S817-C825 VanDerWaalsContact OG-SG 3.34Å; H821-C825 PolarHBondContact O-N 2.77Å; L822-C825 PolarHBondContact O-N 3.31Å; C825-L827 VanDerWaalsContact C-N 3.34Å; C825-L827 PolarHBondContact O-N 3.47Å; C825-L828 PolarHBondContact O-N 3.14Å; C825-C829 WeakPolarHBondContact O-CB 3.32Å; C825-C829 PolarHBondContact O-N 3.05Å; C825-C829 PolarHBondContact O-SG 3.04Å; C825-V858 HydrophobicContact CB-CG1 4.41Å
826A93.4Very high87.8Confident33 Ų3340 Ų4027%0.27324%0.239SC..Hα-helixtrans-60.7-41.3-179.800000112.5L822 A824 S830L822-A826 WeakPolarHBondContact O-CB 3.38Å; L822-A826 PolarHBondContact O-N 3.24Å; A824-A826 PolarHBondContact O-N 2.96Å; A826-S830 WeakPolarHBondContact O-CB 3.49Å; A826-S830 PolarHBondContact O-N 3.25Å; A826-S830 VanDerWaalsContact O-N 3.1Å; A826-S830 PolarHBondContact O-OG 3.47Å
827L92.6Very high87.5Confident50 Ų5042 Ų4226%0.26225%0.25SC..Hα-helixtrans-65.6-50.7175.9-74169.3000111.9P789 V792 L796 G823 A824 C825 C829 S830 H831P789-L827 HydrophobicContact CB-CD1 3.68Å; P789-L827 WeakPolarHBondContact O-CD1 3.38Å; V792-L827 HydrophobicContact CB-CD1 4.48Å; V792-L827 HydrophobicContact CG1-CB 4.17Å; V792-L827 HydrophobicContact CG1-CD1 4.37Å; L796-L827 HydrophobicContact CD1-CB 4.18Å; G823-L827 WeakPolarHBondContact O-CG 3.49Å; G823-L827 PolarHBondContact O-N 3.02Å; A824-L827 PolarHBondContact O-N 2.99Å; C825-L827 VanDerWaalsContact C-N 3.34Å; C825-L827 PolarHBondContact O-N 3.47Å; L827-C829 PolarHBondContact O-N 3.34Å; L827-S830 PolarHBondContact O-N 3.42Å; L827-S830 PolarHBondContact O-OG 3.04Å; L827-H831 PolarHBondContact O-N 3.12Å
828L92.7Very high87.2Confident0 Ų042.8 Ų42.80%025%0.253CS..Hα-helixtrans-58.2-44.8-180-71.3164.5000112.2L780 A784 V792 L796 E802 P812 L813 A816 A824 C825 S830L780-L828 HydrophobicContact CD1-CD2 4.34Å; L780-L828 HydrophobicContact CD2-CD2 4.27Å; L780-L828 HydrophobicContact CG-CD2 4.42Å; A784-L828 HydrophobicContact CB-CD1 4.1Å; V792-L828 HydrophobicContact CG1-CD2 4.33Å; V792-L828 HydrophobicContact CG1-CG 4.11Å; L796-L828 HydrophobicContact CD1-CD2 4.21Å; L796-L828 HydrophobicContact CD2-CD2 4.18Å; E802-L828 HydrophobicContact CB-CD2 3.95Å; P812-L828 HydrophobicContact CB-CD1 4.07Å; P812-L828 HydrophobicContact CB-CD2 3.94Å; L813-L828 HydrophobicContact CB-CD1 4.31Å; L813-L828 HydrophobicContact CD1-CB 4.04Å; L813-L828 HydrophobicContact CD1-CD1 4.22Å; A816-L828 HydrophobicContact CB-CD1 4.07Å; A824-L828 WeakPolarHBondContact O-CB 3.47Å; A824-L828 WeakPolarHBondContact O-CD1 3.21Å; A824-L828 VanDerWaalsContact O-CG 3.26Å; A824-L828 WeakPolarHBondContact O-CG 3.4Å; A824-L828 PolarHBondContact O-N 3.35Å; C825-L828 PolarHBondContact O-N 3.14Å; L828-S830 VanDerWaalsContact C-N 3.3Å; L828-S830 PolarHBondContact O-N 2.82Å
829C90.6Very high87Confident3 Ų343.1 Ų43.12%0.0226%0.256CS..Hα-helixtrans-71.4-22.5176.5-61.20000113.8L813 C825 L827 V836 F865L813-C829 VanDerWaalsContact CD2-SG 3.56Å; C825-C829 WeakPolarHBondContact O-CB 3.32Å; C825-C829 PolarHBondContact O-N 3.05Å; C825-C829 PolarHBondContact O-SG 3.04Å; L827-C829 PolarHBondContact O-N 3.34Å; C829-V836 HydrophobicContact CB-CG2 4.16Å; C829-F865 HydrophobicContact CB-CB 3.81Å; C829-F865 HydrophobicContact CB-CD1 3.83Å; C829-F865 HydrophobicContact CB-CD2 3.46Å; C829-F865 VanDerWaalsContact CB-CD2 3.46Å; C829-F865 HydrophobicContact CB-CE1 4.25Å; C829-F865 HydrophobicContact CB-CE2 3.93Å; C829-F865 HydrophobicContact CB-CG 3.42Å; C829-F865 VanDerWaalsContact CB-CG 3.42Å; C829-F865 HydrophobicContact CB-CZ 4.3Å
830S86.3Confident86.9Confident67 Ų6741 Ų4147%0.46925%0.245SC..Hα-helixtrans-80.3-23.7-178.271.60000114.4A826 L827 L828A826-S830 WeakPolarHBondContact O-CB 3.49Å; A826-S830 PolarHBondContact O-N 3.25Å; A826-S830 VanDerWaalsContact O-N 3.1Å; A826-S830 PolarHBondContact O-OG 3.47Å; L827-S830 PolarHBondContact O-N 3.42Å; L827-S830 PolarHBondContact O-OG 3.04Å; L828-S830 VanDerWaalsContact C-N 3.3Å; L828-S830 PolarHBondContact O-N 2.82Å
831H74.4Confident86.6Confident75 Ų7544.9 Ų44.935%0.34726%0.26SS..Hα-helixtrans-76.2-56178-85.4-116.1000111.4E802 L827E802-H831 WeakPolarHBondContact OE1-CB 3.34Å; L827-H831 PolarHBondContact O-N 3.12Å
832H67.7Low86.3Confident121 Ų12144 Ų4456%0.5627%0.265SS*.  trans-133.8120.4175.2-73.6-29.6000112.9E802 E834 T835E802-H832 IonicContact OE1-CD2 2.81Å; E802-H832 PolarHBondContact OE1-CD2 2.95Å; E802-H832 IonicContact OE1-CG 3.83Å; H832-E834 PolarHBondContact O-N 2.87Å; H832-T835 HydrophobicContact CB-CG2 4.27Å; H832-T835 WeakPolarHBondContact O-CB 3.5Å; H832-T835 WeakPolarHBondContact O-CG2 3.25Å; H832-T835 PolarHBondContact O-N 2.94Å; H832-T835 PolarHBondContact O-OG1 3.45Å
833G62.4Low86.2Confident59 Ų5940.8 Ų40.861%0.60825%0.251SS*.G310 helixtrans-69.9-9.5-177.700000115.5T835 V836G833-T835 VanDerWaalsContact C-N 3.28Å; G833-V836 WeakPolarHBondContact O-CG2 3.28Å
834E69.4Low86.1Confident165 Ų16542.5 Ų42.577%0.77125%0.246SC*.G310 helixtrans-78.6-13174.1-62-172.5-177.300112.7M803 H832 V836M803-E834 HydrophobicContact CE-CB 4.24Å; H832-E834 PolarHBondContact O-N 2.87Å; E834-V836 VanDerWaalsContact C-N 3.28Å; E834-V836 PolarHBondContact O-N 2.96Å
835T74Confident86.1Confident0 Ų042.6 Ų42.60%025%0.247CC..G310 helixtrans-63-30.4177.356.20000114E802 M803 H832 G833 D837 L838E802-T835 HydrophobicContact CG-CG2 3.43Å; E802-T835 VanDerWaalsContact CG-CG2 3.43Å; M803-T835 HydrophobicContact SD-CG2 3.49Å; M803-T835 WeakPolarHBondContact SD-CG2 3.29Å; H832-T835 HydrophobicContact CB-CG2 4.27Å; H832-T835 WeakPolarHBondContact O-CB 3.5Å; H832-T835 WeakPolarHBondContact O-CG2 3.25Å; H832-T835 PolarHBondContact O-N 2.94Å; H832-T835 PolarHBondContact O-OG1 3.45Å; G833-T835 VanDerWaalsContact C-N 3.28Å; T835-D837 PolarHBondContact O-N 3.33Å; T835-L838 WeakPolarHBondContact O-CB 3.37Å; T835-L838 WeakPolarHBondContact O-CD1 3.04Å; T835-L838 WeakPolarHBondContact O-CG 3.48Å; T835-L838 PolarHBondContact O-N 3.14Å
836V86.2Confident86.1Confident3 Ų342.6 Ų42.62%0.01825%0.247CC..THydrogen-bonded Turntrans-69.4-36.4-157.5-167.30000112.4C829 G833 E834 L862 F865 A867C829-V836 HydrophobicContact CB-CG2 4.16Å; G833-V836 WeakPolarHBondContact O-CG2 3.28Å; E834-V836 VanDerWaalsContact C-N 3.28Å; E834-V836 PolarHBondContact O-N 2.96Å; V836-L862 HydrophobicContact CG1-CD2 4.08Å; V836-F865 HydrophobicContact CG1-CB 4.48Å; V836-F865 HydrophobicContact CG2-CB 4.02Å; V836-A867 HydrophobicContact CG1-CB 3.55Å
837D88.7Confident86.2Confident43 Ų4341 Ų4123%0.2323%0.234CC..THydrogen-bonded Turntrans-10222.7179.6-88.3-5.6000113T835 S868 K871T835-D837 PolarHBondContact O-N 3.33Å; D837-S868 PolarHBondContact OD1-N 3.27Å; D837-S868 WeakPolarHBondContact OD2-CB 3.22Å; D837-S868 PolarHBondContact OD2-N 3.13Å; D837-K871 HydrophobicContact CB-CD 4.29Å; D837-K871 PolarHBondContact O-NZ 3.37Å
838L89.6Confident86.3Confident15 Ų1538.7 Ų38.78%0.07922%0.222CC..  trans-52.8154.4165.7-75.3170.8000110.8M803 A811 T835 T845 P846M803-L838 HydrophobicContact CE-CD1 4.47Å; M803-L838 HydrophobicContact CE-CD2 3.82Å; M803-L838 HydrophobicContact CE-CG 4.25Å; M803-L838 HydrophobicContact SD-CD1 3.79Å; M803-L838 HydrophobicContact SD-CD2 4.18Å; M803-L838 HydrophobicContact SD-CG 4.19Å; A811-L838 HydrophobicContact CB-CD1 3.62Å; T835-L838 WeakPolarHBondContact O-CB 3.37Å; T835-L838 WeakPolarHBondContact O-CD1 3.04Å; T835-L838 WeakPolarHBondContact O-CG 3.48Å; T835-L838 PolarHBondContact O-N 3.14Å; L838-T845 VanDerWaalsContact O-CA 3.31Å; L838-T845 WeakPolarHBondContact O-CA 3.46Å; L838-P846 WeakPolarHBondContact O-CD 3.21Å
839S91.7Very high86.4Confident28 Ų2838.9 Ų38.920%0.19622%0.222CC..  trans-137.1129.8-174.962.30000111.8R805 R844R805-S839 VanDerWaalsContact CZ-O 3.25Å; R805-S839 PolarHBondContact NH1-O 3.04Å; R805-S839 PolarHBondContact NH2-O 2.84Å; S839-R844 CarbonylContact C-O 3.59Å; S839-R844 VanDerWaalsContact CA-O 3.3Å; S839-R844 WeakPolarHBondContact CA-O 3.42Å
840D92.9Very high86.7Confident11 Ų1138.7 Ų38.76%0.05922%0.221CC..  trans-66.8-179.4176.578.5-1.3000113.2W810 H814 G842 G843 R844W810-D840 VanDerWaalsContact CD1-CB 3.43Å; W810-D840 PolarHBondContact NE1-OD2 3.03Å; W810-D840 VanDerWaalsContact NE1-OD2 3.07Å; H814-D840 PolarHBondContact NE2-N 3.15Å; D840-G842 PolarHBondContact O-N 3.44Å; D840-G842 VanDerWaalsContact O-N 3.13Å; D840-G842 VanDerWaalsContact OD1-CA 3.24Å; D840-G842 WeakPolarHBondContact OD1-CA 3.05Å; D840-G842 PolarHBondContact OD1-N 3.05Å; D840-G843 WeakPolarHBondContact O-CA 3.4Å; D840-G843 PolarHBondContact O-N 2.83Å; D840-G843 PolarHBondContact OD1-N 3.42Å; D840-R844 PolarHBondContact N-O 3.29Å; D840-R844 WeakPolarHBondContact OD1-CB 3.34Å; D840-R844 PolarHBondContact OD1-N 3.38Å; D840-R844 IonicContact OD1-NE 2.74Å; D840-R844 IonicContact OD2-CZ 3.78Å; D840-R844 IonicContact OD2-NE 3.93Å; D840-R844 PolarHBondContact OD2-NE 3.42Å; D840-R844 VanDerWaalsContact OD2-NE 3.08Å; D840-R844 IonicContact OD2-NH2 3.17Å; D840-R844 PolarHBondContact OD2-NH2 3.02Å
841N90.9Very high87.1Confident105 Ų10535.5 Ų35.556%0.56120%0.199SC*.THydrogen-bonded Turntrans-64.1-13.5177.9-70.5-9.1000113.6N807 N808 G809 L874N807-N841 PolarHBondContact O-ND2 3.37Å; N808-N841 WeakPolarHBondContact O-CB 3.37Å; N808-N841 PolarHBondContact O-N 3.48Å; N808-N841 PolarHBondContact O-ND2 3.16Å; G809-N841 WeakPolarHBondContact CA-OD1 3.43Å; G809-N841 PolarHBondContact N-ND2 3.19Å; N841-L874 WeakPolarHBondContact O-CD1 3.27Å
842G90.6Very high88Confident32 Ų3236.3 Ų36.333%0.3320%0.203SC..THydrogen-bonded Turntrans-93.54.2169.300000113.8D840 R844 L874D840-G842 PolarHBondContact O-N 3.44Å; D840-G842 VanDerWaalsContact O-N 3.13Å; D840-G842 VanDerWaalsContact OD1-CA 3.24Å; D840-G842 WeakPolarHBondContact OD1-CA 3.05Å; D840-G842 PolarHBondContact OD1-N 3.05Å; G842-R844 VanDerWaalsContact C-N 3.29Å; G842-R844 PolarHBondContact O-N 3.3Å; G842-L874 WeakPolarHBondContact O-CG 3.36Å; G842-L874 PolarHBondContact O-N 2.99Å
843G91.9Very high89.3Confident12 Ų1235.9 Ų35.912%0.12420%0.201CC..  trans784.7-175.700000114.5D840D840-G843 WeakPolarHBondContact O-CA 3.4Å; D840-G843 PolarHBondContact O-N 2.83Å; D840-G843 PolarHBondContact OD1-N 3.42Å
844R93.8Very high90.8Very high71 Ų7135.1 Ų35.127%0.26819%0.193SC..  trans-80.4137.4-173.4-59.1-178-60.8162.91.2112H814 S839 D840 G842 M848 E852H814-R844 PolarHBondContact NE2-O 2.91Å; S839-R844 CarbonylContact C-O 3.59Å; S839-R844 VanDerWaalsContact CA-O 3.3Å; S839-R844 WeakPolarHBondContact CA-O 3.42Å; D840-R844 PolarHBondContact N-O 3.29Å; D840-R844 WeakPolarHBondContact OD1-CB 3.34Å; D840-R844 PolarHBondContact OD1-N 3.38Å; D840-R844 IonicContact OD1-NE 2.74Å; D840-R844 IonicContact OD2-CZ 3.78Å; D840-R844 IonicContact OD2-NE 3.93Å; D840-R844 PolarHBondContact OD2-NE 3.42Å; D840-R844 VanDerWaalsContact OD2-NE 3.08Å; D840-R844 IonicContact OD2-NH2 3.17Å; D840-R844 PolarHBondContact OD2-NH2 3.02Å; G842-R844 VanDerWaalsContact C-N 3.29Å; G842-R844 PolarHBondContact O-N 3.3Å; R844-M848 VanDerWaalsContact CA-SD 3.57Å; R844-M848 HydrophobicContact CB-CB 4.3Å; R844-M848 HydrophobicContact CB-SD 3.85Å; R844-M848 HydrophobicContact CG-SD 4.03Å; R844-E852 IonicContact NH1-OE2 2.7Å; R844-E852 PolarHBondContact NH1-OE2 2.84Å
845T94.4Very high92Very high1 Ų130.8 Ų30.81%0.00617%0.173CC..  trans-87.9162.1177.864.90000112.7L838 L847 M848 L849 K871L838-T845 VanDerWaalsContact O-CA 3.31Å; L838-T845 WeakPolarHBondContact O-CA 3.46Å; T845-L847 PolarHBondContact O-N 3.05Å; T845-M848 WeakPolarHBondContact O-CB 3.42Å; T845-M848 PolarHBondContact O-N 3.41Å; T845-M848 PolarHBondContact OG1-N 2.88Å; T845-L849 PolarHBondContact O-N 3.46Å; T845-L849 VanDerWaalsContact O-N 3.16Å; T845-K871 HydrophobicContact CG2-CB 4.37Å; T845-K871 HydrophobicContact CG2-CD 3.81Å; T845-K871 HydrophobicContact CG2-CG 4.19Å
846P94.9Very high93Very high0 Ų032.3 Ų32.30%018%0.181CC..Hα-helixtrans-52.9-33.9169.5-27.834.6000113.6L813 S817 L838 L849 A850 L862L813-P846 HydrophobicContact CB-CG 4.24Å; L813-P846 HydrophobicContact CD2-CB 4.26Å; L813-P846 HydrophobicContact CD2-CG 3.98Å; L813-P846 HydrophobicContact CG-CB 3.88Å; L813-P846 HydrophobicContact CG-CG 3.83Å; S817-P846 WeakPolarHBondContact CB-O 3.43Å; L838-P846 WeakPolarHBondContact O-CD 3.21Å; P846-L849 PolarHBondContact O-N 3.22Å; P846-A850 WeakPolarHBondContact O-CB 3.38Å; P846-A850 PolarHBondContact O-N 3.28Å; P846-L862 HydrophobicContact CB-CD1 4.25Å; P846-L862 HydrophobicContact CB-CD2 4.41Å
847L95Very high93.5Very high0 Ų036.4 Ų36.40%020%0.202CC..Hα-helixtrans-66.1-39.4174.6178.863.4000112T845 A850 V851 A859 L862 L863 A867 P869 A879 L895T845-L847 PolarHBondContact O-N 3.05Å; L847-A850 PolarHBondContact O-N 3.2Å; L847-V851 HydrophobicContact CD1-CG2 4.17Å; L847-V851 WeakPolarHBondContact O-CB 3.44Å; L847-V851 VanDerWaalsContact O-CG2 3.22Å; L847-V851 WeakPolarHBondContact O-CG2 3.41Å; L847-V851 PolarHBondContact O-N 3.41Å; L847-A859 HydrophobicContact CD1-CB 3.9Å; L847-L862 HydrophobicContact CB-CD1 4.12Å; L847-L862 HydrophobicContact CD1-CB 4.27Å; L847-L862 HydrophobicContact CD1-CD1 4.35Å; L847-L863 HydrophobicContact CD1-CG 4.27Å; L847-L863 HydrophobicContact CD2-CD2 3.87Å; L847-L863 HydrophobicContact CD2-CG 4.36Å; L847-A867 HydrophobicContact CB-CB 4.19Å; L847-A867 HydrophobicContact CD2-CB 3.84Å; L847-P869 HydrophobicContact CD2-CB 4.27Å; L847-A879 HydrophobicContact CD2-CB 4.12Å; L847-A879 HydrophobicContact CG-CB 4.08Å; L847-L895 HydrophobicContact CD2-CD2 4.13Å
848M94.8Very high93.8Very high2 Ų234.5 Ų34.51%0.0119%0.192CC..Hα-helixtrans-61.2-44.1173.3-70.5-177.6-164.300111.8R844 T845 V851 E852 K871 R877 A879 L882R844-M848 VanDerWaalsContact CA-SD 3.57Å; R844-M848 HydrophobicContact CB-CB 4.3Å; R844-M848 HydrophobicContact CB-SD 3.85Å; R844-M848 HydrophobicContact CG-SD 4.03Å; T845-M848 WeakPolarHBondContact O-CB 3.42Å; T845-M848 PolarHBondContact O-N 3.41Å; T845-M848 PolarHBondContact OG1-N 2.88Å; M848-V851 PolarHBondContact O-N 3.25Å; M848-E852 VanDerWaalsContact O-CB 3.28Å; M848-E852 WeakPolarHBondContact O-CB 3.16Å; M848-E852 PolarHBondContact O-N 2.74Å; M848-K871 WeakPolarHBondContact CE-O 3.4Å; M848-R877 WeakPolarHBondContact CE-O 3.46Å; M848-A879 HydrophobicContact CG-CB 4.41Å; M848-L882 HydrophobicContact CB-CD1 3.57Å; M848-L882 HydrophobicContact CG-CD1 3.81Å; M848-L882 HydrophobicContact SD-CD1 4.29Å
849L94.8Very high94.1Very high3 Ų333.8 Ų33.82%0.01619%0.189CC..Hα-helixtrans-64.8-43178.8-60178.1000111.9W810 H814 C818 T845 P846 V851 E852 E853W810-L849 HydrophobicContact CH2-CD1 3.67Å; W810-L849 HydrophobicContact CH2-CD2 4.27Å; W810-L849 HydrophobicContact CZ2-CD1 3.58Å; W810-L849 HydrophobicContact CZ2-CD2 3.9Å; W810-L849 HydrophobicContact CZ2-CG 4.42Å; W810-L849 HydrophobicContact CZ3-CD1 4.18Å; H814-L849 HydrophobicContact CB-CD1 3.71Å; C818-L849 HydrophobicContact CB-CB 4.24Å; C818-L849 HydrophobicContact CB-CD1 4.34Å; T845-L849 PolarHBondContact O-N 3.46Å; T845-L849 VanDerWaalsContact O-N 3.16Å; P846-L849 PolarHBondContact O-N 3.22Å; L849-V851 VanDerWaalsContact C-N 3.27Å; L849-V851 PolarHBondContact O-N 2.67Å; L849-E852 PolarHBondContact O-N 3.21Å; L849-E853 PolarHBondContact O-N 3.4Å; L849-E853 VanDerWaalsContact O-N 3.1Å
850A95.9Very high94.2Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-62-34.8174.500000112.3P846 L847 G854 H855 V858 L862P846-A850 WeakPolarHBondContact O-CB 3.38Å; P846-A850 PolarHBondContact O-N 3.28Å; L847-A850 PolarHBondContact O-N 3.2Å; A850-G854 CarbonylContact O-C 3.6Å; A850-G854 PolarHBondContact O-N 3.17Å; A850-H855 HydrophobicContact CB-CB 4.41Å; A850-H855 PolarHBondContact O-N 2.88Å; A850-V858 HydrophobicContact CB-CB 4.16Å; A850-V858 HydrophobicContact CB-CG1 3.69Å; A850-L862 HydrophobicContact CB-CD1 4.11Å
851V95.2Very high94.2Very high0 Ų035.8 Ų35.80%019%0.194CC..Hα-helixtrans-77.4-38.7177.61680000112.5L847 M848 L849 G854 A859 A879 L882 A883 L891 L895L847-V851 HydrophobicContact CD1-CG2 4.17Å; L847-V851 WeakPolarHBondContact O-CB 3.44Å; L847-V851 VanDerWaalsContact O-CG2 3.22Å; L847-V851 WeakPolarHBondContact O-CG2 3.41Å; L847-V851 PolarHBondContact O-N 3.41Å; M848-V851 PolarHBondContact O-N 3.25Å; L849-V851 VanDerWaalsContact C-N 3.27Å; L849-V851 PolarHBondContact O-N 2.67Å; V851-G854 PolarHBondContact O-N 2.83Å; V851-A859 HydrophobicContact CG2-CB 4.36Å; V851-A879 WeakPolarHBondContact CG1-O 3.26Å; V851-A879 HydrophobicContact CG2-CB 4.46Å; V851-L882 HydrophobicContact CG1-CB 3.94Å; V851-A883 HydrophobicContact CG1-CB 3.7Å; V851-L891 HydrophobicContact CB-CD1 4.44Å; V851-L891 HydrophobicContact CG1-CD1 4.25Å; V851-L891 HydrophobicContact CG2-CD1 4.42Å; V851-L891 HydrophobicContact CG2-CD2 4.18Å; V851-L895 HydrophobicContact CG2-CD1 4.28Å
852E93.5Very high94.4Very high92 Ų9230.8 Ų30.843%0.4317%0.167SC..Hα-helixtrans-64.4-40.7178.9-171.7170-165.100111.4R844 M848 L849R844-E852 IonicContact NH1-OE2 2.7Å; R844-E852 PolarHBondContact NH1-OE2 2.84Å; M848-E852 VanDerWaalsContact O-CB 3.28Å; M848-E852 WeakPolarHBondContact O-CB 3.16Å; M848-E852 PolarHBondContact O-N 2.74Å; L849-E852 PolarHBondContact O-N 3.21Å
853E94.5Very high94.4Very high112 Ų11230 Ų3052%0.52316%0.156SC..THydrogen-bonded Turntrans-90.20.2176.3-62.3-66.3158.400114L849 H855L849-E853 PolarHBondContact O-N 3.4Å; L849-E853 VanDerWaalsContact O-N 3.1Å; E853-H855 VanDerWaalsContact CB-NE2 3.28Å; E853-H855 WeakPolarHBondContact CB-NE2 3.45Å
854G93.3Very high94.3Very high42 Ų4236.9 Ų36.943%0.43318%0.184SC..THydrogen-bonded Turntrans80.717.3171.800000116.7A850 V851 L856A850-G854 CarbonylContact O-C 3.6Å; A850-G854 PolarHBondContact O-N 3.17Å; V851-G854 PolarHBondContact O-N 2.83Å; G854-L856 VanDerWaalsContact C-N 3.33Å; G854-L856 PolarHBondContact O-N 3.37Å
855H95.9Very high94.1Very high75 Ų7536.9 Ų36.935%0.34719%0.187SC..  trans-78.373-176.5-61.5-49.7000113S817 C818 G820 A850 E853 D857 V858 A859S817-H855 PolarHBondContact O-CD2 3Å; C818-H855 PolarHBondContact O-CD2 3.12Å; C818-H855 PolarHBondContact O-NE2 3.42Å; G820-H855 VanDerWaalsContact CA-CG 3.48Å; G820-H855 PolarHBondContact N-CD2 3.04Å; A850-H855 HydrophobicContact CB-CB 4.41Å; A850-H855 PolarHBondContact O-N 2.88Å; E853-H855 VanDerWaalsContact CB-NE2 3.28Å; E853-H855 WeakPolarHBondContact CB-NE2 3.45Å; H855-D857 PolarHBondContact O-N 3.4Å; H855-V858 HydrophobicContact CB-CB 4Å; H855-V858 HydrophobicContact CB-CG2 4.14Å; H855-V858 WeakPolarHBondContact O-CB 3.3Å; H855-V858 PolarHBondContact O-N 2.99Å; H855-V858 VanDerWaalsContact O-N 3.11Å; H855-A859 PolarHBondContact O-N 3.36Å
856L94.8Very high93.8Very high31 Ų3147.5 Ų47.516%0.16223%0.226CC..Hα-helixtrans-46.7-48.3-177.5178.865.8000114.6G854 A859 K860 E890 L891 L894G854-L856 VanDerWaalsContact C-N 3.33Å; G854-L856 PolarHBondContact O-N 3.37Å; L856-A859 WeakPolarHBondContact O-CB 3.19Å; L856-A859 PolarHBondContact O-N 3.05Å; L856-K860 WeakPolarHBondContact O-CG 3.47Å; L856-K860 PolarHBondContact O-N 3.01Å; L856-E890 HydrophobicContact CD1-CB 4.28Å; L856-E890 HydrophobicContact CD2-CB 4.43Å; L856-E890 WeakPolarHBondContact CD2-OE2 3.45Å; L856-L891 HydrophobicContact CD1-CD2 3.8Å; L856-L891 HydrophobicContact CD1-CG 4.21Å; L856-L894 HydrophobicContact CD1-CD2 3.92Å
857D95.9Very high93.5Very high89 Ų8947.8 Ų47.848%0.47623%0.229SC..Hα-helixtrans-74.7-27.7-175.5-63.8-37.1000112.9L822 H855 K860 C861L822-D857 WeakPolarHBondContact CD1-O 3.01Å; L822-D857 HydrophobicContact CD2-CB 4.25Å; H855-D857 PolarHBondContact O-N 3.4Å; D857-K860 WeakPolarHBondContact OD1-CD 3.46Å; D857-K860 IonicContact OD1-NZ 3.64Å; D857-K860 PolarHBondContact OD1-NZ 3.3Å; D857-C861 WeakPolarHBondContact O-CB 3.48Å; D857-C861 PolarHBondContact O-N 2.62Å
858V96Very high93Very high3 Ų349.8 Ų49.82%0.01824%0.243CC..Hα-helixtrans-67.8-43.6167.8174.70000110.2L822 C825 A850 H855 K860 C861 L862L822-V858 HydrophobicContact CB-CG2 4.33Å; C825-V858 HydrophobicContact CB-CG1 4.41Å; A850-V858 HydrophobicContact CB-CB 4.16Å; A850-V858 HydrophobicContact CB-CG1 3.69Å; H855-V858 HydrophobicContact CB-CB 4Å; H855-V858 HydrophobicContact CB-CG2 4.14Å; H855-V858 WeakPolarHBondContact O-CB 3.3Å; H855-V858 PolarHBondContact O-N 2.99Å; H855-V858 VanDerWaalsContact O-N 3.11Å; V858-K860 VanDerWaalsContact C-N 3.33Å; V858-K860 PolarHBondContact O-N 2.74Å; V858-C861 WeakPolarHBondContact O-CB 3.49Å; V858-C861 PolarHBondContact O-N 3.44Å; V858-C861 VanDerWaalsContact O-N 3.14Å; V858-L862 HydrophobicContact CG1-CD1 3.81Å; V858-L862 HydrophobicContact CG1-CG 4.18Å; V858-L862 WeakPolarHBondContact O-CG 3.44Å; V858-L862 PolarHBondContact O-N 3.3Å
859A94.8Very high92.4Very high0 Ų050.2 Ų50.20%025%0.246CC..Hα-helixtrans-60.4-41.8175.700000111.8L847 V851 H855 L856 C861 L862 L863 L891 L894L847-A859 HydrophobicContact CD1-CB 3.9Å; V851-A859 HydrophobicContact CG2-CB 4.36Å; H855-A859 PolarHBondContact O-N 3.36Å; L856-A859 WeakPolarHBondContact O-CB 3.19Å; L856-A859 PolarHBondContact O-N 3.05Å; A859-C861 PolarHBondContact O-N 2.88Å; A859-L862 PolarHBondContact O-N 3.48Å; A859-L863 WeakPolarHBondContact O-CB 3.41Å; A859-L863 WeakPolarHBondContact O-CD1 3.29Å; A859-L863 VanDerWaalsContact O-CG 3.26Å; A859-L863 WeakPolarHBondContact O-CG 3.3Å; A859-L863 PolarHBondContact O-N 3.39Å; A859-L891 HydrophobicContact CB-CD2 3.62Å; A859-L894 HydrophobicContact CB-CD2 4.05Å
860K94.1Very high91.7Very high74 Ų7451 Ų5132%0.32225%0.249SC..Hα-helixtrans-57.9-47.1171.7-69.5171.2-167.8151.70111.6L856 D857 V858 L863 Q864 L894L856-K860 WeakPolarHBondContact O-CG 3.47Å; L856-K860 PolarHBondContact O-N 3.01Å; D857-K860 WeakPolarHBondContact OD1-CD 3.46Å; D857-K860 IonicContact OD1-NZ 3.64Å; D857-K860 PolarHBondContact OD1-NZ 3.3Å; V858-K860 VanDerWaalsContact C-N 3.33Å; V858-K860 PolarHBondContact O-N 2.74Å; K860-L863 PolarHBondContact O-N 3.29Å; K860-Q864 VanDerWaalsContact O-CG 3.27Å; K860-Q864 WeakPolarHBondContact O-CG 3.42Å; K860-Q864 PolarHBondContact O-N 3.08Å; K860-L894 HydrophobicContact CB-CD2 4.38Å; K860-L894 HydrophobicContact CG-CD1 3.92Å; K860-L894 HydrophobicContact CG-CD2 3.56Å; K860-L894 HydrophobicContact CG-CG 4.41Å
861C93.8Very high91.3Very high7 Ų754.2 Ų54.25%0.04726%0.263CS..Hα-helixtrans-60.1-51.7178.9-174.80000111.8L822 D857 V858 A859 L863 Q864 F865L822-C861 HydrophobicContact CD1-CB 3.54Å; D857-C861 WeakPolarHBondContact O-CB 3.48Å; D857-C861 PolarHBondContact O-N 2.62Å; V858-C861 WeakPolarHBondContact O-CB 3.49Å; V858-C861 PolarHBondContact O-N 3.44Å; V858-C861 VanDerWaalsContact O-N 3.14Å; A859-C861 PolarHBondContact O-N 2.88Å; C861-L863 VanDerWaalsContact C-N 3.33Å; C861-L863 PolarHBondContact O-N 3.42Å; C861-Q864 WeakPolarHBondContact O-CB 3.49Å; C861-Q864 PolarHBondContact O-N 3.45Å; C861-Q864 VanDerWaalsContact O-N 3.12Å; C861-F865 VanDerWaalsContact O-CD2 3.26Å; C861-F865 WeakPolarHBondContact O-CD2 3.34Å; C861-F865 PolarHBondContact O-N 2.98Å
862L93.6Very high91Very high0 Ų057.6 Ų57.60%029%0.285CS..Hα-helixtrans-59.1-42.1178.9-68.8171.4000111.9L813 V836 P846 L847 A850 V858 A859 F865 R866 A867L813-L862 HydrophobicContact CD1-CD2 4.11Å; L813-L862 HydrophobicContact CD2-CD2 4.15Å; L813-L862 HydrophobicContact CG-CD2 4.37Å; V836-L862 HydrophobicContact CG1-CD2 4.08Å; P846-L862 HydrophobicContact CB-CD1 4.25Å; P846-L862 HydrophobicContact CB-CD2 4.41Å; L847-L862 HydrophobicContact CB-CD1 4.12Å; L847-L862 HydrophobicContact CD1-CB 4.27Å; L847-L862 HydrophobicContact CD1-CD1 4.35Å; A850-L862 HydrophobicContact CB-CD1 4.11Å; V858-L862 HydrophobicContact CG1-CD1 3.81Å; V858-L862 HydrophobicContact CG1-CG 4.18Å; V858-L862 WeakPolarHBondContact O-CG 3.44Å; V858-L862 PolarHBondContact O-N 3.3Å; A859-L862 PolarHBondContact O-N 3.48Å; L862-F865 CarbonylContact O-C 3.59Å; L862-F865 PolarHBondContact O-N 3.02Å; L862-R866 PolarHBondContact O-N 3.15Å; L862-A867 HydrophobicContact CB-CB 3.98Å; L862-A867 VanDerWaalsContact O-CB 3.25Å; L862-A867 WeakPolarHBondContact O-CB 3.49Å; L862-A867 PolarHBondContact O-N 2.88Å
863L91.3Very high91Very high17 Ų1753.9 Ų53.99%0.08927%0.269CS..Hα-helixtrans-67.2-36.2175.9-70166000112.7L847 A859 K860 C861 F865 R866 P869 L894 L895 Q898L847-L863 HydrophobicContact CD1-CG 4.27Å; L847-L863 HydrophobicContact CD2-CD2 3.87Å; L847-L863 HydrophobicContact CD2-CG 4.36Å; A859-L863 WeakPolarHBondContact O-CB 3.41Å; A859-L863 WeakPolarHBondContact O-CD1 3.29Å; A859-L863 VanDerWaalsContact O-CG 3.26Å; A859-L863 WeakPolarHBondContact O-CG 3.3Å; A859-L863 PolarHBondContact O-N 3.39Å; K860-L863 PolarHBondContact O-N 3.29Å; C861-L863 VanDerWaalsContact C-N 3.33Å; C861-L863 PolarHBondContact O-N 3.42Å; L863-F865 VanDerWaalsContact C-N 3.27Å; L863-F865 PolarHBondContact O-N 3.37Å; L863-R866 WeakPolarHBondContact O-CA 3.48Å; L863-R866 PolarHBondContact O-N 3.02Å; L863-P869 HydrophobicContact CD2-CB 4.28Å; L863-P869 HydrophobicContact CD2-CG 4.35Å; L863-L894 HydrophobicContact CD1-CD1 4.19Å; L863-L894 HydrophobicContact CD1-CD2 3.93Å; L863-L894 HydrophobicContact CD1-CG 3.67Å; L863-L895 HydrophobicContact CD1-CD2 4.11Å; L863-L895 HydrophobicContact CD2-CD2 4.39Å; L863-Q898 HydrophobicContact CD1-CG 4.43Å
864Q90.2Very high90.8Very high155 Ų15554.6 Ų54.672%0.72428%0.276SS*.Hα-helixtrans-62.7-34.7171.8-73.7169.33.300112K860 C861 R866K860-Q864 VanDerWaalsContact O-CG 3.27Å; K860-Q864 WeakPolarHBondContact O-CG 3.42Å; K860-Q864 PolarHBondContact O-N 3.08Å; C861-Q864 WeakPolarHBondContact O-CB 3.49Å; C861-Q864 PolarHBondContact O-N 3.45Å; C861-Q864 VanDerWaalsContact O-N 3.12Å; Q864-R866 PolarHBondContact O-N 2.92Å
865F89Confident90.6Very high72 Ų7256.7 Ų56.732%0.31628%0.277SS..THydrogen-bonded Turntrans-82.613.7170.3-71.1-73.7000114.2C829 V836 C861 L862 L863C829-F865 HydrophobicContact CB-CB 3.81Å; C829-F865 HydrophobicContact CB-CD1 3.83Å; C829-F865 HydrophobicContact CB-CD2 3.46Å; C829-F865 VanDerWaalsContact CB-CD2 3.46Å; C829-F865 HydrophobicContact CB-CE1 4.25Å; C829-F865 HydrophobicContact CB-CE2 3.93Å; C829-F865 HydrophobicContact CB-CG 3.42Å; C829-F865 VanDerWaalsContact CB-CG 3.42Å; C829-F865 HydrophobicContact CB-CZ 4.3Å; V836-F865 HydrophobicContact CG1-CB 4.48Å; V836-F865 HydrophobicContact CG2-CB 4.02Å; C861-F865 VanDerWaalsContact O-CD2 3.26Å; C861-F865 WeakPolarHBondContact O-CD2 3.34Å; C861-F865 PolarHBondContact O-N 2.98Å; L862-F865 CarbonylContact O-C 3.59Å; L862-F865 PolarHBondContact O-N 3.02Å; L863-F865 VanDerWaalsContact C-N 3.27Å; L863-F865 PolarHBondContact O-N 3.37Å
866R87.6Confident90.3Very high223 Ų22353.7 Ų53.784%0.84227%0.267SS*.THydrogen-bonded Turntrans67.733.3175-50.5179.1176.3-178.2-1.4116.2L862 L863 Q864L862-R866 PolarHBondContact O-N 3.15Å; L863-R866 WeakPolarHBondContact O-CA 3.48Å; L863-R866 PolarHBondContact O-N 3.02Å; Q864-R866 PolarHBondContact O-N 2.92Å
867A89.3Confident90.2Very high6 Ų655.2 Ų55.25%0.0527%0.27CS..  trans-51140163.400000111.2V836 L847 L862 P869V836-A867 HydrophobicContact CG1-CB 3.55Å; L847-A867 HydrophobicContact CB-CB 4.19Å; L847-A867 HydrophobicContact CD2-CB 3.84Å; L862-A867 HydrophobicContact CB-CB 3.98Å; L862-A867 VanDerWaalsContact O-CB 3.25Å; L862-A867 WeakPolarHBondContact O-CB 3.49Å; L862-A867 PolarHBondContact O-N 2.88Å; A867-P869 WeakPolarHBondContact O-CD 3.28Å
868S85.7Confident90.1Very high42 Ų4251 Ų5129%0.29425%0.247SC..  trans-85.3109.5176.9-178.50000111.1D837 F870 K871D837-S868 PolarHBondContact OD1-N 3.27Å; D837-S868 WeakPolarHBondContact OD2-CB 3.22Å; D837-S868 PolarHBondContact OD2-N 3.13Å; S868-F870 PolarHBondContact O-N 3.24Å; S868-K871 PolarHBondContact O-N 3.17Å; S868-K871 PolarHBondContact OG-N 3.32Å
869P81.7Confident90Very high11 Ų1150.9 Ų50.97%0.07125%0.247CC..THydrogen-bonded Turntrans-68-17.8-179.727.2-33.8000113.5L847 L863 A867 T878 A879 L895L847-P869 HydrophobicContact CD2-CB 4.27Å; L863-P869 HydrophobicContact CD2-CB 4.28Å; L863-P869 HydrophobicContact CD2-CG 4.35Å; A867-P869 WeakPolarHBondContact O-CD 3.28Å; P869-T878 WeakPolarHBondContact O-CB 3.49Å; P869-A879 WeakPolarHBondContact O-CB 3.49Å; P869-A879 PolarHBondContact O-N 3.03Å; P869-L895 HydrophobicContact CB-CD2 3.62Å
870F80Confident89.9Confident21 Ų2150.9 Ų50.99%0.09225%0.247CC..THydrogen-bonded Turntrans-108.65.9-176.7-58.5-74.6000114.7S868 P872 T878 L880 S899 I902 V904 V906S868-F870 PolarHBondContact O-N 3.24Å; F870-P872 WeakPolarHBondContact O-CD 3.42Å; F870-T878 HydrophobicContact CB-CG2 4.48Å; F870-T878 WeakPolarHBondContact O-CG2 3.08Å; F870-L880 HydrophobicContact CE1-CD2 4.3Å; F870-S899 WeakPolarHBondContact CE2-OG 3.27Å; F870-S899 WeakPolarHBondContact CZ-OG 3.45Å; F870-I902 HydrophobicContact CD2-CB 3.97Å; F870-I902 HydrophobicContact CD2-CD1 3.99Å; F870-I902 HydrophobicContact CD2-CG2 3.36Å; F870-I902 HydrophobicContact CE2-CB 3.72Å; F870-I902 HydrophobicContact CE2-CD1 4.04Å; F870-I902 HydrophobicContact CE2-CG1 4.47Å; F870-I902 HydrophobicContact CE2-CG2 3.61Å; F870-I902 HydrophobicContact CG-CG2 4.04Å; F870-I902 HydrophobicContact CZ-CG2 4.48Å; F870-V904 HydrophobicContact CZ-CG2 4.48Å; F870-V906 HydrophobicContact CB-CG2 4.45Å; F870-V906 HydrophobicContact CD1-CG2 3.85Å; F870-V906 HydrophobicContact CG-CG2 4.48Å
871K86.9Confident89.9Confident67 Ų6747.4 Ų47.429%0.29123%0.232SC..  trans-61.3125.6168.7-175.6163.8177.6175.80108.6D837 T845 M848 S868D837-K871 HydrophobicContact CB-CD 4.29Å; D837-K871 PolarHBondContact O-NZ 3.37Å; T845-K871 HydrophobicContact CG2-CB 4.37Å; T845-K871 HydrophobicContact CG2-CD 3.81Å; T845-K871 HydrophobicContact CG2-CG 4.19Å; M848-K871 WeakPolarHBondContact CE-O 3.4Å; S868-K871 PolarHBondContact O-N 3.17Å; S868-K871 PolarHBondContact OG-N 3.32Å
872P90.1Very high89.9Confident70 Ų7048.1 Ų48.146%0.45524%0.235SC..  trans-84.7150.6-179.332.4-34.1000112.2F870 G876 R877F870-P872 WeakPolarHBondContact O-CD 3.42Å; P872-G876 WeakPolarHBondContact CB-O 3.2Å; P872-R877 CarbonylContact C-O 3.54Å; P872-R877 WeakPolarHBondContact CA-O 3.45Å
873S92.3Very high89.9Confident14 Ų1448.1 Ų48.110%0.09824%0.235CC..  trans-75.5-179.5164.173.40000111.1D875 G876 R877S873-D875 PolarHBondContact O-N 3.12Å; S873-D875 PolarHBondContact OG-N 3.14Å; S873-G876 PolarHBondContact O-N 3.09Å; S873-R877 PolarHBondContact N-O 2.95Å; S873-R877 PolarHBondContact OG-N 3Å
874L90.5Very high90Very high128 Ų12847.3 Ų47.367%0.6723%0.231SC*.THydrogen-bonded Turntrans-61.7-25.1172.3-67.5-179.4000113.1N841 G842 G876N841-L874 WeakPolarHBondContact O-CD1 3.27Å; G842-L874 WeakPolarHBondContact O-CG 3.36Å; G842-L874 PolarHBondContact O-N 2.99Å; L874-G876 PolarHBondContact O-N 2.86Å
875D89Confident90.2Very high86 Ų8641.4 Ų41.446%0.4621%0.207SC..THydrogen-bonded Turntrans-84.37.4172.9-55-43.2000112.8S873 R877 D908 I909S873-D875 PolarHBondContact O-N 3.12Å; S873-D875 PolarHBondContact OG-N 3.14Å; D875-R877 HydrophobicContact CB-CG 4.44Å; D875-R877 PolarHBondContact O-N 3.36Å; D875-R877 VanDerWaalsContact O-N 3.16Å; D875-D908 WeakPolarHBondContact O-CB 3.39Å; D875-I909 HydrophobicContact CB-CD1 4.38Å; D875-I909 WeakPolarHBondContact O-CG1 3.27Å; D875-I909 PolarHBondContact O-N 3.25Å; D875-I909 VanDerWaalsContact O-N 3.08Å
876G90.6Very high90.3Very high12 Ų1239.5 Ų39.512%0.12420%0.203CC..SBendtrans75.7-8.9-176.800000114.9P872 S873 L874P872-G876 WeakPolarHBondContact CB-O 3.2Å; S873-G876 PolarHBondContact O-N 3.09Å; L874-G876 PolarHBondContact O-N 2.86Å
877R92.8Very high90.5Very high62 Ų6230.5 Ų30.523%0.23418%0.179CC..  trans-68133.3-177.3-68.6179.4172.3175.9-1.1111.5M848 P872 S873 D875 H881 D908 Y917M848-R877 WeakPolarHBondContact CE-O 3.46Å; P872-R877 CarbonylContact C-O 3.54Å; P872-R877 WeakPolarHBondContact CA-O 3.45Å; S873-R877 PolarHBondContact N-O 2.95Å; S873-R877 PolarHBondContact OG-N 3Å; D875-R877 HydrophobicContact CB-CG 4.44Å; D875-R877 PolarHBondContact O-N 3.36Å; D875-R877 VanDerWaalsContact O-N 3.16Å; R877-H881 HydrophobicContact CB-CB 4.2Å; R877-H881 HydrophobicContact CG-CB 4.41Å; R877-D908 HydrophobicContact CG-CB 4.14Å; R877-Y917 VanDerWaalsContact CZ-OH 3.28Å; R877-Y917 PolarHBondContact NE-OH 3.17Å; R877-Y917 PolarHBondContact NH2-OH 3.11Å
878T92.8Very high90.6Very high0 Ų031.8 Ų31.80%019%0.187CC..  trans-96173.8172.570.50000111.4P869 F870 L880 H881 L882 V906P869-T878 WeakPolarHBondContact O-CB 3.49Å; F870-T878 HydrophobicContact CB-CG2 4.48Å; F870-T878 WeakPolarHBondContact O-CG2 3.08Å; T878-L880 PolarHBondContact O-N 3.21Å; T878-L880 PolarHBondContact OG1-N 2.87Å; T878-H881 PolarHBondContact N-ND1 3.04Å; T878-H881 WeakPolarHBondContact O-CB 3.21Å; T878-H881 PolarHBondContact O-N 3.38Å; T878-H881 VanDerWaalsContact O-N 3.15Å; T878-H881 PolarHBondContact OG1-ND1 2.76Å; T878-L882 PolarHBondContact O-N 3.46Å; T878-V906 HydrophobicContact CG2-CB 4.08Å; T878-V906 HydrophobicContact CG2-CG1 3.71Å; T878-V906 HydrophobicContact CG2-CG2 4.44Å
879A93.4Very high91Very high1 Ų131.4 Ų31.41%0.00819%0.185CC..Hα-helixtrans-58.4-35.4174.300000112.1L847 M848 V851 P869 H881 L882 A883 L895L847-A879 HydrophobicContact CD2-CB 4.12Å; L847-A879 HydrophobicContact CG-CB 4.08Å; M848-A879 HydrophobicContact CG-CB 4.41Å; V851-A879 WeakPolarHBondContact CG1-O 3.26Å; V851-A879 HydrophobicContact CG2-CB 4.46Å; P869-A879 WeakPolarHBondContact O-CB 3.49Å; P869-A879 PolarHBondContact O-N 3.03Å; A879-H881 VanDerWaalsContact C-N 3.35Å; A879-H881 PolarHBondContact O-N 2.96Å; A879-L882 PolarHBondContact O-N 2.9Å; A879-A883 PolarHBondContact O-N 3.34Å; A879-L895 HydrophobicContact CB-CD1 4.25Å; A879-L895 HydrophobicContact CB-CD2 4.09Å
880L93.2Very high91.5Very high1 Ų137.1 Ų37.11%0.00521%0.211CC..Hα-helixtrans-66.8-33.3178.1-17263.2000113.2F870 T878 L882 A883 A884 C892 L895 V896 V904 L930F870-L880 HydrophobicContact CE1-CD2 4.3Å; T878-L880 PolarHBondContact O-N 3.21Å; T878-L880 PolarHBondContact OG1-N 2.87Å; L880-L882 VanDerWaalsContact C-N 3.29Å; L880-L882 PolarHBondContact O-N 3.32Å; L880-A883 PolarHBondContact O-N 2.86Å; L880-A884 VanDerWaalsContact O-CB 3.27Å; L880-A884 WeakPolarHBondContact O-CB 3.49Å; L880-A884 PolarHBondContact O-N 3.44Å; L880-C892 HydrophobicContact CD1-CB 4.29Å; L880-L895 HydrophobicContact CB-CD1 4.4Å; L880-L895 HydrophobicContact CD1-CB 4.1Å; L880-L895 HydrophobicContact CD1-CD1 4.18Å; L880-V896 HydrophobicContact CD1-CG2 3.78Å; L880-V896 HydrophobicContact CD2-CG2 3.81Å; L880-V896 HydrophobicContact CG-CG2 4.48Å; L880-V904 HydrophobicContact CD2-CG1 3.34Å; L880-L930 HydrophobicContact CD1-CD2 4.44Å; L880-L930 HydrophobicContact CD2-CD2 4.16Å
881H93.4Very high92.2Very high1 Ų136.1 Ų36.11%0.00521%0.206CC..Hα-helixtrans-63.2-39173.8-70.584.1000111.4R877 T878 A879 S885 V906 R912 T913 S914 Y917R877-H881 HydrophobicContact CB-CB 4.2Å; R877-H881 HydrophobicContact CG-CB 4.41Å; T878-H881 PolarHBondContact N-ND1 3.04Å; T878-H881 WeakPolarHBondContact O-CB 3.21Å; T878-H881 PolarHBondContact O-N 3.38Å; T878-H881 VanDerWaalsContact O-N 3.15Å; T878-H881 PolarHBondContact OG1-ND1 2.76Å; A879-H881 VanDerWaalsContact C-N 3.35Å; A879-H881 PolarHBondContact O-N 2.96Å; H881-S885 VanDerWaalsContact O-CB 3.27Å; H881-S885 WeakPolarHBondContact O-CB 2.89Å; H881-S885 PolarHBondContact O-N 3.37Å; H881-V906 PolarHBondContact CE1-O 2.91Å; H881-V906 PolarHBondContact NE2-O 3.25Å; H881-R912 PolarHBondContact NE2-O 3.37Å; H881-T913 VanDerWaalsContact NE2-C 3.3Å; H881-S914 WeakPolarHBondContact CA-OG 3.1Å; H881-S914 PolarHBondContact CD2-OG 2.87Å; H881-S914 PolarHBondContact CE1-OG 3.19Å; H881-S914 VanDerWaalsContact CG-OG 3.3Å; H881-S914 PolarHBondContact N-OG 3.05Å; H881-S914 PolarHBondContact ND1-OG 3.25Å; H881-S914 PolarHBondContact NE2-N 3.31Å; H881-S914 VanDerWaalsContact NE2-N 3.16Å; H881-S914 PolarHBondContact NE2-OG 3.32Å; H881-Y917 AromaticContact CD2-CD2 3.67Å; H881-Y917 AromaticContact CD2-CE2 3.71Å
882L94Very high92.5Very high22 Ų2233 Ų3312%0.11519%0.192CC..Hα-helixtrans-71.3-39.8177.8-59.5176.2000111.6M848 V851 T878 A879 L880 S885 S886M848-L882 HydrophobicContact CB-CD1 3.57Å; M848-L882 HydrophobicContact CG-CD1 3.81Å; M848-L882 HydrophobicContact SD-CD1 4.29Å; V851-L882 HydrophobicContact CG1-CB 3.94Å; T878-L882 PolarHBondContact O-N 3.46Å; A879-L882 PolarHBondContact O-N 2.9Å; L880-L882 VanDerWaalsContact C-N 3.29Å; L880-L882 PolarHBondContact O-N 3.32Å; L882-S885 PolarHBondContact O-N 3Å; L882-S886 VanDerWaalsContact O-CB 3.27Å; L882-S886 WeakPolarHBondContact O-CB 3.3Å; L882-S886 PolarHBondContact O-N 3.07Å; L882-S886 PolarHBondContact O-OG 3.37Å
883A94.4Very high92.6Very high0 Ų035.9 Ų35.90%020%0.195CC..Hα-helixtrans-63.4-43.9173.800000112.2V851 A879 L880 S885 S886 G887 S888 L891 C892 L895V851-A883 HydrophobicContact CG1-CB 3.7Å; A879-A883 PolarHBondContact O-N 3.34Å; L880-A883 PolarHBondContact O-N 2.86Å; A883-S885 VanDerWaalsContact C-N 3.31Å; A883-S885 PolarHBondContact O-N 2.9Å; A883-S886 PolarHBondContact O-N 3.29Å; A883-S886 PolarHBondContact O-OG 2.99Å; A883-S886 VanDerWaalsContact O-OG 3.09Å; A883-G887 PolarHBondContact O-N 3.45Å; A883-S888 PolarHBondContact O-N 3.2Å; A883-L891 HydrophobicContact CB-CB 3.97Å; A883-C892 VanDerWaalsContact C-SG 3.56Å; A883-C892 VanDerWaalsContact CB-SG 3.58Å; A883-L895 HydrophobicContact CB-CD1 3.77Å
884A94Very high92.6Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-67.1-29.8177.700000113.1L880 S914 A918 H923 I926L880-A884 VanDerWaalsContact O-CB 3.27Å; L880-A884 WeakPolarHBondContact O-CB 3.49Å; L880-A884 PolarHBondContact O-N 3.44Å; A884-S914 WeakPolarHBondContact CB-O 3.35Å; A884-A918 HydrophobicContact CB-CB 4.28Å; A884-H923 PolarHBondContact O-CD2 3.23Å; A884-I926 HydrophobicContact CB-CG2 4.42Å
885S93.5Very high92.6Very high30 Ų3030.3 Ų30.321%0.2117%0.165CC..Hα-helixtrans-88.1-18.8175.5-175.80000113.8H881 L882 A883H881-S885 VanDerWaalsContact O-CB 3.27Å; H881-S885 WeakPolarHBondContact O-CB 2.89Å; H881-S885 PolarHBondContact O-N 3.37Å; L882-S885 PolarHBondContact O-N 3Å; A883-S885 VanDerWaalsContact C-N 3.31Å; A883-S885 PolarHBondContact O-N 2.9Å
886S91.2Very high92.6Very high33 Ų3326.7 Ų26.723%0.23115%0.146CC..Hα-helixtrans-82.6-29.217871.90000112.8L882 A883 R1211L882-S886 VanDerWaalsContact O-CB 3.27Å; L882-S886 WeakPolarHBondContact O-CB 3.3Å; L882-S886 PolarHBondContact O-N 3.07Å; L882-S886 PolarHBondContact O-OG 3.37Å; A883-S886 PolarHBondContact O-N 3.29Å; A883-S886 PolarHBondContact O-OG 2.99Å; A883-S886 VanDerWaalsContact O-OG 3.09Å; S886-R1211 PolarHBondContact O-NH1 3.26Å
887G91.6Very high92.3Very high33 Ų3328.3 Ų28.334%0.3416%0.155SC..THydrogen-bonded Turntrans93.521.8-175.900000114.1A883 H923A883-G887 PolarHBondContact O-N 3.45Å; G887-H923 WeakPolarHBondContact CA-CD2 3.45Å; G887-H923 VanDerWaalsContact CA-NE2 3.26Å; G887-H923 WeakPolarHBondContact CA-NE2 3.24Å
888S92.4Very high91.4Very high33 Ų3331 Ų3123%0.23117%0.17CC..  trans-9990.7-178.4-173.60000111.8A883 E890 L891 C892A883-S888 PolarHBondContact O-N 3.2Å; S888-E890 VanDerWaalsContact C-N 3.26Å; S888-E890 PolarHBondContact O-N 3.42Å; S888-L891 PolarHBondContact O-N 3.39Å; S888-L891 VanDerWaalsContact O-N 3.1Å; S888-L891 WeakPolarHBondContact OG-CB 3.32Å; S888-L891 WeakPolarHBondContact OG-CG 3.34Å; S888-L891 PolarHBondContact OG-N 3.15Å; S888-C892 PolarHBondContact O-N 3.44Å
889S92.7Very high90.1Very high34 Ų3431.2 Ų31.224%0.23817%0.172CC..Hα-helixtrans-61.4-30.7175.931.70000113.2C892 Y893 D925 M929S889-C892 PolarHBondContact O-N 3.2Å; S889-Y893 VanDerWaalsContact O-CB 3.31Å; S889-Y893 WeakPolarHBondContact O-CB 2.98Å; S889-Y893 PolarHBondContact O-N 3.27Å; S889-D925 WeakPolarHBondContact CB-OD2 3.48Å; S889-D925 PolarHBondContact OG-OD2 3.12Å; S889-M929 WeakPolarHBondContact O-CE 3.46Å
890E93.9Very high88.6Confident132 Ų13236 Ų3662%0.61721%0.212SC*.Hα-helixtrans-65.7-37.8172.2-66.2-170.8-174.200112.8L856 S888 L894L856-E890 HydrophobicContact CD1-CB 4.28Å; L856-E890 HydrophobicContact CD2-CB 4.43Å; L856-E890 WeakPolarHBondContact CD2-OE2 3.45Å; S888-E890 VanDerWaalsContact C-N 3.26Å; S888-E890 PolarHBondContact O-N 3.42Å; E890-L894 VanDerWaalsContact O-CB 3.26Å; E890-L894 WeakPolarHBondContact O-CB 3.47Å; E890-L894 PolarHBondContact O-N 2.98Å
891L93.9Very high87.3Confident0 Ų040.2 Ų40.20%026%0.255CS..Hα-helixtrans-72.7-39.9174.3-76.9172.3000112V851 L856 A859 A883 S888 L894 L895V851-L891 HydrophobicContact CB-CD1 4.44Å; V851-L891 HydrophobicContact CG1-CD1 4.25Å; V851-L891 HydrophobicContact CG2-CD1 4.42Å; V851-L891 HydrophobicContact CG2-CD2 4.18Å; L856-L891 HydrophobicContact CD1-CD2 3.8Å; L856-L891 HydrophobicContact CD1-CG 4.21Å; A859-L891 HydrophobicContact CB-CD2 3.62Å; A883-L891 HydrophobicContact CB-CB 3.97Å; S888-L891 PolarHBondContact O-N 3.39Å; S888-L891 VanDerWaalsContact O-N 3.1Å; S888-L891 WeakPolarHBondContact OG-CB 3.32Å; S888-L891 WeakPolarHBondContact OG-CG 3.34Å; S888-L891 PolarHBondContact OG-N 3.15Å; L891-L894 HydrophobicContact CD2-CD2 4.32Å; L891-L894 PolarHBondContact O-N 3.47Å; L891-L895 WeakPolarHBondContact O-CB 3.31Å; L891-L895 WeakPolarHBondContact O-CD1 3.38Å; L891-L895 WeakPolarHBondContact O-CG 3.4Å; L891-L895 PolarHBondContact O-N 3.08Å
892C92.9Very high86Confident0 Ų044.4 Ų44.40%028%0.277CS..Hα-helixtrans-58.4-48.4171.7-71.30000111.3L880 A883 S888 S889 L894 L895 V896 I926 M929L880-C892 HydrophobicContact CD1-CB 4.29Å; A883-C892 VanDerWaalsContact C-SG 3.56Å; A883-C892 VanDerWaalsContact CB-SG 3.58Å; S888-C892 PolarHBondContact O-N 3.44Å; S889-C892 PolarHBondContact O-N 3.2Å; C892-L894 PolarHBondContact O-N 2.89Å; C892-L895 PolarHBondContact O-N 2.8Å; C892-V896 WeakPolarHBondContact O-CB 3.48Å; C892-V896 WeakPolarHBondContact O-CG2 3.37Å; C892-V896 PolarHBondContact O-N 3.2Å; C892-I926 HydrophobicContact CB-CG2 4.26Å; C892-M929 HydrophobicContact CB-SD 4Å
893Y92.3Very high85.2Confident131 Ų13148.1 Ų48.151%0.51430%0.296SS..Hα-helixtrans-61-44.9177.4-174-92.8000111.9S889 S897 M929 F933S889-Y893 VanDerWaalsContact O-CB 3.31Å; S889-Y893 WeakPolarHBondContact O-CB 2.98Å; S889-Y893 PolarHBondContact O-N 3.27Å; Y893-S897 WeakPolarHBondContact O-CB 3.34Å; Y893-S897 PolarHBondContact O-N 3.36Å; Y893-S897 PolarHBondContact O-OG 2.93Å; Y893-M929 HydrophobicContact CD2-CE 4.38Å; Y893-M929 HydrophobicContact CD2-SD 4.21Å; Y893-M929 HydrophobicContact CG-SD 4.49Å; Y893-M929 PolarHBondContact N-SD 3.01Å; Y893-F933 HydrophobicContact CD2-CE2 4.04Å; Y893-F933 HydrophobicContact CD2-CZ 4.06Å; Y893-F933 HydrophobicContact CE2-CE2 4.27Å; Y893-F933 AromaticContact CE2-CZ 3.87Å; Y893-F933 HydrophobicContact CE2-CZ 3.87Å
894L92Very high84.6Confident25 Ų2549 Ų4913%0.13130%0.302CS..Hα-helixtrans-59.7-49.2177.4176.464.1000111.6L856 A859 K860 L863 E890 L891 C892 S897 Q898L856-L894 HydrophobicContact CD1-CD2 3.92Å; A859-L894 HydrophobicContact CB-CD2 4.05Å; K860-L894 HydrophobicContact CB-CD2 4.38Å; K860-L894 HydrophobicContact CG-CD1 3.92Å; K860-L894 HydrophobicContact CG-CD2 3.56Å; K860-L894 HydrophobicContact CG-CG 4.41Å; L863-L894 HydrophobicContact CD1-CD1 4.19Å; L863-L894 HydrophobicContact CD1-CD2 3.93Å; L863-L894 HydrophobicContact CD1-CG 3.67Å; E890-L894 VanDerWaalsContact O-CB 3.26Å; E890-L894 WeakPolarHBondContact O-CB 3.47Å; E890-L894 PolarHBondContact O-N 2.98Å; L891-L894 HydrophobicContact CD2-CD2 4.32Å; L891-L894 PolarHBondContact O-N 3.47Å; C892-L894 PolarHBondContact O-N 2.89Å; L894-S897 PolarHBondContact O-OG 3.44Å; L894-Q898 WeakPolarHBondContact O-CG 3.37Å; L894-Q898 PolarHBondContact O-N 3.03Å
895L91Very high84.3Confident1 Ų149.6 Ų49.61%0.00531%0.305CS..Hα-helixtrans-63.4-50.4-179.5-69.2164.6000110.9L847 V851 L863 P869 A879 L880 A883 L891 C892 Q898 S899L847-L895 HydrophobicContact CD2-CD2 4.13Å; V851-L895 HydrophobicContact CG2-CD1 4.28Å; L863-L895 HydrophobicContact CD1-CD2 4.11Å; L863-L895 HydrophobicContact CD2-CD2 4.39Å; P869-L895 HydrophobicContact CB-CD2 3.62Å; A879-L895 HydrophobicContact CB-CD1 4.25Å; A879-L895 HydrophobicContact CB-CD2 4.09Å; L880-L895 HydrophobicContact CB-CD1 4.4Å; L880-L895 HydrophobicContact CD1-CB 4.1Å; L880-L895 HydrophobicContact CD1-CD1 4.18Å; A883-L895 HydrophobicContact CB-CD1 3.77Å; L891-L895 WeakPolarHBondContact O-CB 3.31Å; L891-L895 WeakPolarHBondContact O-CD1 3.38Å; L891-L895 WeakPolarHBondContact O-CG 3.4Å; L891-L895 PolarHBondContact O-N 3.08Å; C892-L895 PolarHBondContact O-N 2.8Å; L895-Q898 PolarHBondContact O-N 2.98Å; L895-S899 PolarHBondContact O-N 2.86Å; L895-S899 PolarHBondContact O-OG 3.13Å
896V88.4Confident84.1Confident10 Ų1049.8 Ų49.86%0.06131%0.305CS..Hα-helixtrans-70.2-37.5-176.4-178.20000112.2L880 C892 Q898 S899 V904 L930 F933L880-V896 HydrophobicContact CD1-CG2 3.78Å; L880-V896 HydrophobicContact CD2-CG2 3.81Å; L880-V896 HydrophobicContact CG-CG2 4.48Å; C892-V896 WeakPolarHBondContact O-CB 3.48Å; C892-V896 WeakPolarHBondContact O-CG2 3.37Å; C892-V896 PolarHBondContact O-N 3.2Å; V896-Q898 VanDerWaalsContact C-N 3.25Å; V896-Q898 PolarHBondContact O-N 2.91Å; V896-S899 VanDerWaalsContact O-CB 3.28Å; V896-S899 WeakPolarHBondContact O-CB 3.44Å; V896-S899 PolarHBondContact O-N 3.18Å; V896-V904 HydrophobicContact CG2-CG1 4.29Å; V896-L930 HydrophobicContact CG2-CD2 3.97Å; V896-F933 HydrophobicContact CB-CD2 4.1Å; V896-F933 HydrophobicContact CB-CE2 4.26Å; V896-F933 HydrophobicContact CB-CG 4.45Å; V896-F933 HydrophobicContact CG1-CB 3.66Å; V896-F933 HydrophobicContact CG1-CD1 3.79Å; V896-F933 HydrophobicContact CG1-CD2 3.48Å; V896-F933 VanDerWaalsContact CG1-CD2 3.48Å; V896-F933 HydrophobicContact CG1-CE1 4.25Å; V896-F933 HydrophobicContact CG1-CE2 3.99Å; V896-F933 HydrophobicContact CG1-CG 3.37Å; V896-F933 HydrophobicContact CG1-CZ 4.34Å
897S85.3Confident84.1Confident45 Ų4552.6 Ų52.632%0.31531%0.313SS..Hα-helixtrans-66.1-23.3177.162.90000114.2Y893 L894Y893-S897 WeakPolarHBondContact O-CB 3.34Å; Y893-S897 PolarHBondContact O-N 3.36Å; Y893-S897 PolarHBondContact O-OG 2.93Å; L894-S897 PolarHBondContact O-OG 3.44Å
898Q74Confident84.2Confident118 Ų11851.5 Ų51.555%0.55130%0.299SS*.THydrogen-bonded Turntrans-85.2-5.2170.6-62.2-53.6-74.900113.6L863 L894 L895 V896 A900L863-Q898 HydrophobicContact CD1-CG 4.43Å; L894-Q898 WeakPolarHBondContact O-CG 3.37Å; L894-Q898 PolarHBondContact O-N 3.03Å; L895-Q898 PolarHBondContact O-N 2.98Å; V896-Q898 VanDerWaalsContact C-N 3.25Å; V896-Q898 PolarHBondContact O-N 2.91Å; Q898-A900 PolarHBondContact O-N 3.42Å
899S65.7Low84.1Confident6 Ų654.9 Ų54.94%0.04231%0.314CS..  trans-94.624.6-167.4-62.80000114.9F870 L895 V896 G901 I902F870-S899 WeakPolarHBondContact CE2-OG 3.27Å; F870-S899 WeakPolarHBondContact CZ-OG 3.45Å; L895-S899 PolarHBondContact O-N 2.86Å; L895-S899 PolarHBondContact O-OG 3.13Å; V896-S899 VanDerWaalsContact O-CB 3.28Å; V896-S899 WeakPolarHBondContact O-CB 3.44Å; V896-S899 PolarHBondContact O-N 3.18Å; S899-G901 PolarHBondContact O-N 3.44Å; S899-I902 PolarHBondContact O-N 3.21Å
900A61.2Low84.1Confident102 Ų10257.4 Ų57.484%0.84332%0.322SS*.THydrogen-bonded Turntrans-59102.5-173.800000112.8Q898Q898-A900 PolarHBondContact O-N 3.42Å
901G64.7Low84Confident88 Ų8851.7 Ų51.791%0.90730%0.298SS*.THydrogen-bonded Turntrans99.56.6-179.500000115.8S899S899-G901 PolarHBondContact O-N 3.44Å
902I67.8Low84Confident90 Ų9053 Ų5346%0.46230%0.303SS..SBendtrans-106142.9175.7-47.7173.8000109.8F870 S899 V904F870-I902 HydrophobicContact CD2-CB 3.97Å; F870-I902 HydrophobicContact CD2-CD1 3.99Å; F870-I902 HydrophobicContact CD2-CG2 3.36Å; F870-I902 HydrophobicContact CE2-CB 3.72Å; F870-I902 HydrophobicContact CE2-CD1 4.04Å; F870-I902 HydrophobicContact CE2-CG1 4.47Å; F870-I902 HydrophobicContact CE2-CG2 3.61Å; F870-I902 HydrophobicContact CG-CG2 4.04Å; F870-I902 HydrophobicContact CZ-CG2 4.48Å; S899-I902 PolarHBondContact O-N 3.21Å; I902-V904 PolarHBondContact O-N 3.35Å
903N76Confident84.1Confident99 Ų9953 Ų5353%0.52930%0.304SS..  trans-65.6121.6175.1-179.727.2000110.8D905 V906N903-D905 PolarHBondContact ND2-O 3.21Å; N903-D905 PolarHBondContact OD1-N 3.18Å; N903-V906 WeakPolarHBondContact O-CG2 3.39Å
904V82.9Confident84.1Confident19 Ų1946.9 Ų46.912%0.11528%0.28CS..SBendtrans-81-30177.8-169.40000111.3F870 L880 V896 I902 V906 L930 C935F870-V904 HydrophobicContact CZ-CG2 4.48Å; L880-V904 HydrophobicContact CD2-CG1 3.34Å; V896-V904 HydrophobicContact CG2-CG1 4.29Å; I902-V904 PolarHBondContact O-N 3.35Å; V904-V906 PolarHBondContact O-N 2.7Å; V904-L930 HydrophobicContact CG1-CD2 4.46Å; V904-C935 WeakPolarHBondContact CG1-SG 3.44Å
905D87.4Confident84.3Confident13 Ų1345.7 Ų45.77%0.0727%0.273CS..  trans-83.761.9-179.2-61.9-43000111.3N903 T913 C935 D936 M939N903-D905 PolarHBondContact ND2-O 3.21Å; N903-D905 PolarHBondContact OD1-N 3.18Å; D905-T913 HydrophobicContact CB-CG2 4.23Å; D905-C935 WeakPolarHBondContact OD1-CB 3.47Å; D905-C935 PolarHBondContact OD1-SG 3.19Å; D905-C935 WeakPolarHBondContact OD2-CA 3.48Å; D905-D936 PolarHBondContact OD2-N 3.49Å; D905-M939 HydrophobicContact CB-CE 3.68Å; D905-M939 HydrophobicContact CB-CG 4.39Å
906V89Confident84.5Confident34 Ų3446.5 Ų46.521%0.20628%0.277CS..  trans-79.1144.6167.8-176.60000109.1F870 T878 H881 N903 V904 T913F870-V906 HydrophobicContact CB-CG2 4.45Å; F870-V906 HydrophobicContact CD1-CG2 3.85Å; F870-V906 HydrophobicContact CG-CG2 4.48Å; T878-V906 HydrophobicContact CG2-CB 4.08Å; T878-V906 HydrophobicContact CG2-CG1 3.71Å; T878-V906 HydrophobicContact CG2-CG2 4.44Å; H881-V906 PolarHBondContact CE1-O 2.91Å; H881-V906 PolarHBondContact NE2-O 3.25Å; N903-V906 WeakPolarHBondContact O-CG2 3.39Å; V904-V906 PolarHBondContact O-N 2.7Å; V906-T913 WeakPolarHBondContact O-CA 3.32Å
907F91.6Very high84.8Confident92 Ų9246.3 Ų46.340%0.40428%0.275SS..  trans-101.4143.4178.3-66.1-63.6000112.8G911 R912 T913 M939F907-G911 WeakPolarHBondContact CD1-O 3.5Å; F907-G911 WeakPolarHBondContact CE1-O 3.4Å; F907-R912 WeakPolarHBondContact CA-O 3.43Å; F907-T913 HydrophobicContact CD1-CG2 3.65Å; F907-T913 HydrophobicContact CE1-CG2 3.56Å; F907-T913 HydrophobicContact CZ-CG2 4.48Å; F907-M939 HydrophobicContact CE1-CB 4.22Å; F907-M939 HydrophobicContact CE1-CE 4.22Å; F907-M939 HydrophobicContact CE1-SD 4.34Å; F907-M939 HydrophobicContact CE2-CE 3.83Å; F907-M939 HydrophobicContact CE2-SD 4.48Å; F907-M939 HydrophobicContact CZ-CB 4.44Å; F907-M939 HydrophobicContact CZ-CE 3.45Å; F907-M939 VanDerWaalsContact CZ-CE 3.45Å; F907-M939 HydrophobicContact CZ-SD 3.65Å
908D92.5Very high85.3Confident9 Ų944.2 Ų44.25%0.04826%0.26CS..  trans-81.6179.616380.7-1.9000112.7D875 R877 E910 G911 R912 Y917D875-D908 WeakPolarHBondContact O-CB 3.39Å; R877-D908 HydrophobicContact CG-CB 4.14Å; D908-E910 PolarHBondContact O-N 3.28Å; D908-E910 VanDerWaalsContact O-N 3.09Å; D908-E910 WeakPolarHBondContact OD1-CA 3.36Å; D908-E910 PolarHBondContact OD1-N 2.71Å; D908-G911 PolarHBondContact O-N 3.14Å; D908-G911 PolarHBondContact OD1-N 3.31Å; D908-G911 VanDerWaalsContact OD1-N 3.13Å; D908-R912 PolarHBondContact N-O 3.45Å; D908-R912 WeakPolarHBondContact OD1-CB 3.31Å; D908-R912 PolarHBondContact OD1-N 2.96Å; D908-R912 IonicContact OD1-NE 3.05Å; D908-R912 IonicContact OD1-NH2 3.55Å; D908-R912 IonicContact OD2-CZ 2.68Å; D908-R912 VanDerWaalsContact OD2-CZ 3.23Å; D908-R912 IonicContact OD2-NE 2.74Å; D908-R912 PolarHBondContact OD2-NE 3.34Å; D908-R912 IonicContact OD2-NH2 2.72Å; D908-R912 PolarHBondContact OD2-NH2 3.47Å; D908-Y917 WeakPolarHBondContact OD2-CE2 3.43Å; D908-Y917 PolarHBondContact OD2-OH 3.03Å
909I92Very high86.4Confident104 Ų10438.6 Ų38.653%0.53323%0.234SC..THydrogen-bonded Turntrans-63-13.2179.659.1169.6000115D875 L942D875-I909 HydrophobicContact CB-CD1 4.38Å; D875-I909 WeakPolarHBondContact O-CG1 3.27Å; D875-I909 PolarHBondContact O-N 3.25Å; D875-I909 VanDerWaalsContact O-N 3.08Å; I909-L942 WeakPolarHBondContact O-CD1 3.45Å
910E91.3Very high87.8Confident87 Ų8741 Ų4141%0.40725%0.246SC..THydrogen-bonded Turntrans-1026.2174.6-72.3177.2-110.800112.4D908 R912 L942D908-E910 PolarHBondContact O-N 3.28Å; D908-E910 VanDerWaalsContact O-N 3.09Å; D908-E910 WeakPolarHBondContact OD1-CA 3.36Å; D908-E910 PolarHBondContact OD1-N 2.71Å; E910-R912 HydrophobicContact CB-CG 4.39Å; E910-R912 IonicContact OE1-CZ 3.37Å; E910-R912 IonicContact OE1-NH1 3.17Å; E910-R912 PolarHBondContact OE1-NH1 3.13Å; E910-R912 IonicContact OE1-NH2 3.18Å; E910-R912 PolarHBondContact OE1-NH2 2.79Å; E910-R912 IonicContact OE2-CZ 3.74Å; E910-R912 IonicContact OE2-NH1 3.29Å; E910-R912 PolarHBondContact OE2-NH1 3.25Å; E910-R912 IonicContact OE2-NH2 2.75Å; E910-L942 WeakPolarHBondContact O-CB 3.29Å; E910-L942 WeakPolarHBondContact O-CG 3.5Å; E910-L942 PolarHBondContact O-N 3.09Å
911G91.4Very high89.4Confident12 Ų1240.2 Ų40.212%0.12423%0.225CC..SBendtrans77.418-179.900000113.9F907 D908 D941F907-G911 WeakPolarHBondContact CD1-O 3.5Å; F907-G911 WeakPolarHBondContact CE1-O 3.4Å; D908-G911 PolarHBondContact O-N 3.14Å; D908-G911 PolarHBondContact OD1-N 3.31Å; D908-G911 VanDerWaalsContact OD1-N 3.13Å; G911-D941 WeakPolarHBondContact O-CA 3.46Å
912R94.4Very high90.9Very high27 Ų2740.3 Ų40.310%0.10220%0.202CC..  trans-91139.1-179.9-59.4175-65.9-134.5-7.2110.6H881 F907 D908 E910 Y916 Y917 D941H881-R912 PolarHBondContact NE2-O 3.37Å; F907-R912 WeakPolarHBondContact CA-O 3.43Å; D908-R912 PolarHBondContact N-O 3.45Å; D908-R912 WeakPolarHBondContact OD1-CB 3.31Å; D908-R912 PolarHBondContact OD1-N 2.96Å; D908-R912 IonicContact OD1-NE 3.05Å; D908-R912 IonicContact OD1-NH2 3.55Å; D908-R912 IonicContact OD2-CZ 2.68Å; D908-R912 VanDerWaalsContact OD2-CZ 3.23Å; D908-R912 IonicContact OD2-NE 2.74Å; D908-R912 PolarHBondContact OD2-NE 3.34Å; D908-R912 IonicContact OD2-NH2 2.72Å; D908-R912 PolarHBondContact OD2-NH2 3.47Å; E910-R912 HydrophobicContact CB-CG 4.39Å; E910-R912 IonicContact OE1-CZ 3.37Å; E910-R912 IonicContact OE1-NH1 3.17Å; E910-R912 PolarHBondContact OE1-NH1 3.13Å; E910-R912 IonicContact OE1-NH2 3.18Å; E910-R912 PolarHBondContact OE1-NH2 2.79Å; E910-R912 IonicContact OE2-CZ 3.74Å; E910-R912 IonicContact OE2-NH1 3.29Å; E910-R912 PolarHBondContact OE2-NH1 3.25Å; E910-R912 IonicContact OE2-NH2 2.75Å; R912-Y916 HydrophobicContact CB-CD1 3.89Å; R912-Y916 HydrophobicContact CB-CE1 4.49Å; R912-Y916 HydrophobicContact CB-CG 4.01Å; R912-Y916 HydrophobicContact CG-CD1 3.64Å; R912-Y916 HydrophobicContact CG-CD2 4.46Å; R912-Y916 HydrophobicContact CG-CE1 3.73Å; R912-Y916 HydrophobicContact CG-CG 4.03Å; R912-Y917 HydrophobicContact CB-CD2 4.25Å; R912-Y917 HydrophobicContact CB-CE2 3.77Å; R912-Y917 PolarHBondContact NE-OH 3.26Å; R912-Y917 PolarHBondContact NH2-OH 2.91Å; R912-D941 HydrophobicContact CG-CB 4.25Å
913T94.3Very high92.2Very high2 Ų238.1 Ų38.11%0.01219%0.189CC..  trans-93.5169.5171.964.10000111.7H881 D905 V906 F907 L915 Y916 Y917 M939H881-T913 VanDerWaalsContact NE2-C 3.3Å; D905-T913 HydrophobicContact CB-CG2 4.23Å; V906-T913 WeakPolarHBondContact O-CA 3.32Å; F907-T913 HydrophobicContact CD1-CG2 3.65Å; F907-T913 HydrophobicContact CE1-CG2 3.56Å; F907-T913 HydrophobicContact CZ-CG2 4.48Å; T913-L915 PolarHBondContact O-N 3.48Å; T913-Y916 WeakPolarHBondContact O-CA 3.35Å; T913-Y916 VanDerWaalsContact O-CB 3.26Å; T913-Y916 WeakPolarHBondContact O-CB 3.23Å; T913-Y916 PolarHBondContact O-N 2.95Å; T913-Y916 PolarHBondContact OG1-N 3.22Å; T913-Y917 WeakPolarHBondContact O-CD2 3.37Å; T913-Y917 PolarHBondContact O-N 3.38Å; T913-M939 HydrophobicContact CG2-CB 3.79Å; T913-M939 HydrophobicContact CG2-CG 4.28Å
914S93.7Very high93.1Very high1 Ų135 Ų351%0.00718%0.177CC..Hα-helixtrans-61.3-32.4176.1-61.80000112.8H881 A884 Y917 A918H881-S914 WeakPolarHBondContact CA-OG 3.1Å; H881-S914 PolarHBondContact CD2-OG 2.87Å; H881-S914 PolarHBondContact CE1-OG 3.19Å; H881-S914 VanDerWaalsContact CG-OG 3.3Å; H881-S914 PolarHBondContact N-OG 3.05Å; H881-S914 PolarHBondContact ND1-OG 3.25Å; H881-S914 PolarHBondContact NE2-N 3.31Å; H881-S914 VanDerWaalsContact NE2-N 3.16Å; H881-S914 PolarHBondContact NE2-OG 3.32Å; A884-S914 WeakPolarHBondContact CB-O 3.35Å; S914-Y917 PolarHBondContact O-N 2.78Å; S914-A918 PolarHBondContact O-N 3.29Å
915L95.6Very high93.7Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-62.4-39.8171177.463.4000112.1T913 Y917 A918 V919 V927 L930 L931 C935 P937 P947 L963T913-L915 PolarHBondContact O-N 3.48Å; L915-Y917 VanDerWaalsContact C-N 3.32Å; L915-Y917 PolarHBondContact O-N 3.29Å; L915-A918 PolarHBondContact O-N 3.4Å; L915-V919 HydrophobicContact CD1-CG2 4.45Å; L915-V919 WeakPolarHBondContact O-CG2 3.47Å; L915-V919 PolarHBondContact O-N 3.13Å; L915-V927 HydrophobicContact CD1-CB 4.47Å; L915-V927 HydrophobicContact CD1-CG1 4.12Å; L915-V927 HydrophobicContact CD1-CG2 4.35Å; L915-L930 HydrophobicContact CB-CD1 4.33Å; L915-L930 HydrophobicContact CD1-CB 4.29Å; L915-L930 HydrophobicContact CD1-CD1 4.48Å; L915-L931 HydrophobicContact CD1-CD2 4.25Å; L915-L931 HydrophobicContact CD1-CG 4.18Å; L915-L931 HydrophobicContact CD2-CD2 3.76Å; L915-C935 HydrophobicContact CD2-CB 4.3Å; L915-P937 HydrophobicContact CD2-CB 4.43Å; L915-P947 HydrophobicContact CD2-CG 4.13Å; L915-P947 HydrophobicContact CG-CG 4.16Å; L915-L963 HydrophobicContact CD2-CD2 4.4Å
916Y95.8Very high94.1Very high19 Ų1937.6 Ų37.68%0.07519%0.19CC..Hα-helixtrans-60.6-40.7175.8-169-74.6000111.5R912 T913 V919 L920 D941 V950R912-Y916 HydrophobicContact CB-CD1 3.89Å; R912-Y916 HydrophobicContact CB-CE1 4.49Å; R912-Y916 HydrophobicContact CB-CG 4.01Å; R912-Y916 HydrophobicContact CG-CD1 3.64Å; R912-Y916 HydrophobicContact CG-CD2 4.46Å; R912-Y916 HydrophobicContact CG-CE1 3.73Å; R912-Y916 HydrophobicContact CG-CG 4.03Å; T913-Y916 WeakPolarHBondContact O-CA 3.35Å; T913-Y916 VanDerWaalsContact O-CB 3.26Å; T913-Y916 WeakPolarHBondContact O-CB 3.23Å; T913-Y916 PolarHBondContact O-N 2.95Å; T913-Y916 PolarHBondContact OG1-N 3.22Å; Y916-V919 PolarHBondContact O-N 3.34Å; Y916-L920 VanDerWaalsContact O-CB 3.31Å; Y916-L920 WeakPolarHBondContact O-CB 3.43Å; Y916-L920 PolarHBondContact O-N 2.76Å; Y916-D941 HydrophobicContact CE2-CB 4Å; Y916-D941 PolarHBondContact OH-OD2 2.99Å; Y916-V950 HydrophobicContact CD2-CG2 4.12Å; Y916-V950 HydrophobicContact CE1-CG2 4.05Å; Y916-V950 HydrophobicContact CE2-CG2 3.44Å; Y916-V950 VanDerWaalsContact CE2-CG2 3.44Å; Y916-V950 WeakPolarHBondContact OH-CG2 3.49Å
917Y94.7Very high94.4Very high6 Ų636 Ų362%0.02418%0.18CC..Hα-helixtrans-67-43.7175.3-80.6-92.9000112.7R877 H881 D908 R912 T913 S914 L915 V919 L920 E921R877-Y917 VanDerWaalsContact CZ-OH 3.28Å; R877-Y917 PolarHBondContact NE-OH 3.17Å; R877-Y917 PolarHBondContact NH2-OH 3.11Å; H881-Y917 AromaticContact CD2-CD2 3.67Å; H881-Y917 AromaticContact CD2-CE2 3.71Å; D908-Y917 WeakPolarHBondContact OD2-CE2 3.43Å; D908-Y917 PolarHBondContact OD2-OH 3.03Å; R912-Y917 HydrophobicContact CB-CD2 4.25Å; R912-Y917 HydrophobicContact CB-CE2 3.77Å; R912-Y917 PolarHBondContact NE-OH 3.26Å; R912-Y917 PolarHBondContact NH2-OH 2.91Å; T913-Y917 WeakPolarHBondContact O-CD2 3.37Å; T913-Y917 PolarHBondContact O-N 3.38Å; S914-Y917 PolarHBondContact O-N 2.78Å; L915-Y917 VanDerWaalsContact C-N 3.32Å; L915-Y917 PolarHBondContact O-N 3.29Å; Y917-V919 PolarHBondContact O-N 2.86Å; Y917-L920 PolarHBondContact O-N 2.67Å; Y917-L920 VanDerWaalsContact O-N 3.12Å; Y917-E921 PolarHBondContact O-N 3.33Å
918A96Very high94.6Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-60.1-35.6176.200000112.4A884 S914 L915 E922 H923 I926 V927 L930A884-A918 HydrophobicContact CB-CB 4.28Å; S914-A918 PolarHBondContact O-N 3.29Å; L915-A918 PolarHBondContact O-N 3.4Å; A918-E922 PolarHBondContact O-N 3.42Å; A918-H923 PolarHBondContact O-N 2.86Å; A918-I926 HydrophobicContact CB-CB 4.16Å; A918-I926 HydrophobicContact CB-CG2 3.69Å; A918-V927 HydrophobicContact CB-CG2 3.82Å; A918-L930 HydrophobicContact CB-CD1 4.16Å
919V96.7Very high94.7Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-72.7-39.4173.1171.40000112.3L915 Y916 Y917 E922 V927 P947 V950 A951 L954 I959 L963L915-V919 HydrophobicContact CD1-CG2 4.45Å; L915-V919 WeakPolarHBondContact O-CG2 3.47Å; L915-V919 PolarHBondContact O-N 3.13Å; Y916-V919 PolarHBondContact O-N 3.34Å; Y917-V919 PolarHBondContact O-N 2.86Å; V919-E922 PolarHBondContact O-N 3.19Å; V919-V927 HydrophobicContact CG2-CG1 4.42Å; V919-V927 HydrophobicContact CG2-CG2 3.6Å; V919-P947 HydrophobicContact CG2-CB 4.13Å; V919-V950 HydrophobicContact CG1-CB 3.87Å; V919-V950 HydrophobicContact CG1-CG1 3.94Å; V919-A951 HydrophobicContact CG1-CB 3.9Å; V919-L954 WeakPolarHBondContact O-CD1 3.47Å; V919-I959 HydrophobicContact CB-CG2 4.39Å; V919-I959 HydrophobicContact CG1-CG2 4.01Å; V919-I959 HydrophobicContact CG2-CG2 3.75Å; V919-L963 HydrophobicContact CG2-CD1 4.3Å
920L94.8Very high94.7Very high56 Ų5631.2 Ų31.229%0.29316%0.16SC..Hα-helixtrans-65.9-37.5-178.5-175.664.2000112.9Y916 Y917 E922 V950Y916-L920 VanDerWaalsContact O-CB 3.31Å; Y916-L920 WeakPolarHBondContact O-CB 3.43Å; Y916-L920 PolarHBondContact O-N 2.76Å; Y917-L920 PolarHBondContact O-N 2.67Å; Y917-L920 VanDerWaalsContact O-N 3.12Å; L920-E922 VanDerWaalsContact C-N 3.32Å; L920-V950 HydrophobicContact CB-CG1 4.44Å; L920-V950 HydrophobicContact CD1-CG1 4Å
921E95.7Very high94.8Very high86 Ų8627.5 Ų27.540%0.40214%0.142SC..THydrogen-bonded Turntrans-90.68.1175.5-56.1-67.1155.100112.8Y917 H923Y917-E921 PolarHBondContact O-N 3.33Å; E921-H923 PolarHBondContact O-CE1 3.24Å; E921-H923 PolarHBondContact O-N 2.92Å; E921-H923 PolarHBondContact O-ND1 3.07Å
922E95.7Very high94.8Very high91 Ų9130.9 Ų30.943%0.42516%0.164SC..THydrogen-bonded Turntrans61.129.4176.1-58.5-165.1-115.300116A918 V919 L920 A924 L954 N956 I959A918-E922 PolarHBondContact O-N 3.42Å; V919-E922 PolarHBondContact O-N 3.19Å; L920-E922 VanDerWaalsContact C-N 3.32Å; E922-A924 PolarHBondContact O-N 3.36Å; E922-A924 VanDerWaalsContact O-N 3.09Å; E922-L954 HydrophobicContact CG-CD1 3.82Å; E922-N956 WeakPolarHBondContact OE2-CB 3.49Å; E922-N956 PolarHBondContact OE2-ND2 2.84Å; E922-I959 HydrophobicContact CB-CD1 4.46Å
923H95.7Very high94.5Very high44 Ų4433.9 Ų33.920%0.20418%0.178CC..  trans-84.676.6-178.3-60.8-15.9000112.5A884 G887 A918 E921 D925 I926 V927A884-H923 PolarHBondContact O-CD2 3.23Å; G887-H923 WeakPolarHBondContact CA-CD2 3.45Å; G887-H923 VanDerWaalsContact CA-NE2 3.26Å; G887-H923 WeakPolarHBondContact CA-NE2 3.24Å; A918-H923 PolarHBondContact O-N 2.86Å; E921-H923 PolarHBondContact O-CE1 3.24Å; E921-H923 PolarHBondContact O-N 2.92Å; E921-H923 PolarHBondContact O-ND1 3.07Å; H923-D925 VanDerWaalsContact C-N 3.27Å; H923-D925 PolarHBondContact O-N 3.35Å; H923-I926 HydrophobicContact CB-CB 4.07Å; H923-I926 HydrophobicContact CB-CD1 3.99Å; H923-I926 HydrophobicContact CB-CG1 4.18Å; H923-I926 PolarHBondContact O-N 3.46Å; H923-I926 VanDerWaalsContact O-N 3.11Å; H923-V927 WeakPolarHBondContact O-CG2 3.39Å; H923-V927 PolarHBondContact O-N 3.01Å
924A94.5Very high94.2Very high32 Ų3236.7 Ų36.726%0.26421%0.208SC..Hα-helixtrans-59.2-29.4-173.800000115.1E922 D928 I959 L962E922-A924 PolarHBondContact O-N 3.36Å; E922-A924 VanDerWaalsContact O-N 3.09Å; A924-D928 PolarHBondContact O-N 3.32Å; A924-I959 HydrophobicContact CB-CD1 4.16Å; A924-I959 HydrophobicContact CB-CG1 3.74Å; A924-L962 HydrophobicContact CB-CD1 4.39Å; A924-L962 WeakPolarHBondContact O-CD1 3.35Å
925D94.9Very high94Very high87 Ų8737 Ų3747%0.46521%0.21SC..Hα-helixtrans-71.6-39.8175.465.1-43.4000112.2S889 H923 M929S889-D925 WeakPolarHBondContact CB-OD2 3.48Å; S889-D925 PolarHBondContact OG-OD2 3.12Å; H923-D925 VanDerWaalsContact C-N 3.27Å; H923-D925 PolarHBondContact O-N 3.35Å; D925-M929 VanDerWaalsContact O-CB 3.29Å; D925-M929 WeakPolarHBondContact O-CB 3.48Å; D925-M929 PolarHBondContact O-N 2.93Å
926I95.5Very high93.9Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-68.7-37.2173.1-60.9178.7000110.4A884 C892 A918 H923 M929 L930A884-I926 HydrophobicContact CB-CG2 4.42Å; C892-I926 HydrophobicContact CB-CG2 4.26Å; A918-I926 HydrophobicContact CB-CB 4.16Å; A918-I926 HydrophobicContact CB-CG2 3.69Å; H923-I926 HydrophobicContact CB-CB 4.07Å; H923-I926 HydrophobicContact CB-CD1 3.99Å; H923-I926 HydrophobicContact CB-CG1 4.18Å; H923-I926 PolarHBondContact O-N 3.46Å; H923-I926 VanDerWaalsContact O-N 3.11Å; I926-M929 PolarHBondContact O-N 3.02Å; I926-L930 HydrophobicContact CG2-CD1 3.87Å; I926-L930 HydrophobicContact CG2-CG 4.2Å; I926-L930 WeakPolarHBondContact O-CB 3.43Å; I926-L930 VanDerWaalsContact O-CG 3.28Å; I926-L930 WeakPolarHBondContact O-CG 3.38Å; I926-L930 PolarHBondContact O-N 3.31Å
927V96.3Very high93.9Very high0 Ų039.4 Ų39.40%023%0.225CC..Hα-helixtrans-61.3-52.1174170.50000111.2L915 A918 V919 H923 M929 L930 L931 I959 L962L915-V927 HydrophobicContact CD1-CB 4.47Å; L915-V927 HydrophobicContact CD1-CG1 4.12Å; L915-V927 HydrophobicContact CD1-CG2 4.35Å; A918-V927 HydrophobicContact CB-CG2 3.82Å; V919-V927 HydrophobicContact CG2-CG1 4.42Å; V919-V927 HydrophobicContact CG2-CG2 3.6Å; H923-V927 WeakPolarHBondContact O-CG2 3.39Å; H923-V927 PolarHBondContact O-N 3.01Å; V927-M929 VanDerWaalsContact C-N 3.28Å; V927-M929 PolarHBondContact O-N 3.48Å; V927-L930 PolarHBondContact O-N 3.06Å; V927-L931 HydrophobicContact CG1-CD1 3.66Å; V927-L931 HydrophobicContact CG1-CG 4.38Å; V927-L931 WeakPolarHBondContact O-CB 3.39Å; V927-L931 VanDerWaalsContact O-CG 3.23Å; V927-L931 WeakPolarHBondContact O-CG 3.46Å; V927-L931 PolarHBondContact O-N 3.43Å; V927-I959 HydrophobicContact CG1-CG2 4.35Å; V927-I959 HydrophobicContact CG2-CD1 4.34Å; V927-I959 HydrophobicContact CG2-CG1 4.47Å; V927-L962 HydrophobicContact CG1-CB 4.36Å; V927-L962 HydrophobicContact CG1-CD1 4.39Å
928D95.2Very high93.9Very high69 Ų6941.6 Ų41.637%0.36924%0.237SC..Hα-helixtrans-60.1-39.6178.6-166.234.3000111.7A924 S932 L962 H966A924-D928 PolarHBondContact O-N 3.32Å; D928-S932 WeakPolarHBondContact O-CB 3.36Å; D928-S932 PolarHBondContact O-N 3.3Å; D928-S932 PolarHBondContact O-OG 2.87Å; D928-L962 HydrophobicContact CB-CD1 4Å; D928-L962 HydrophobicContact CB-CD2 4.03Å; D928-L962 VanDerWaalsContact OD1-CD2 3.3Å; D928-L962 WeakPolarHBondContact OD1-CD2 3.45Å; D928-H966 IonicContact OD1-CE1 3.86Å
929M93.6Very high93.8Very high37 Ų3743.9 Ų43.918%0.18225%0.248CC..Hα-helixtrans-62.6-51.6174.8-177.3-173.5-60.100112.8S889 C892 Y893 D925 I926 V927 L931 S932 F933S889-M929 WeakPolarHBondContact O-CE 3.46Å; C892-M929 HydrophobicContact CB-SD 4Å; Y893-M929 HydrophobicContact CD2-CE 4.38Å; Y893-M929 HydrophobicContact CD2-SD 4.21Å; Y893-M929 HydrophobicContact CG-SD 4.49Å; Y893-M929 PolarHBondContact N-SD 3.01Å; D925-M929 VanDerWaalsContact O-CB 3.29Å; D925-M929 WeakPolarHBondContact O-CB 3.48Å; D925-M929 PolarHBondContact O-N 2.93Å; I926-M929 PolarHBondContact O-N 3.02Å; V927-M929 VanDerWaalsContact C-N 3.28Å; V927-M929 PolarHBondContact O-N 3.48Å; M929-L931 VanDerWaalsContact C-N 3.35Å; M929-L931 PolarHBondContact O-N 3.29Å; M929-S932 WeakPolarHBondContact O-CB 3.29Å; M929-S932 PolarHBondContact O-N 3.25Å; M929-F933 HydrophobicContact CG-CD2 3.93Å; M929-F933 HydrophobicContact CG-CE2 3.78Å; M929-F933 WeakPolarHBondContact O-CD2 3.27Å; M929-F933 PolarHBondContact O-N 3.22Å; M929-F933 VanDerWaalsContact O-N 3.07Å
930L93.3Very high93.7Very high0 Ų045.8 Ų45.80%026%0.263CS..Hα-helixtrans-63.8-40.4-178.5-72.7173.8000111.8L880 V896 V904 L915 A918 I926 V927 F933 G934 C935L880-L930 HydrophobicContact CD1-CD2 4.44Å; L880-L930 HydrophobicContact CD2-CD2 4.16Å; V896-L930 HydrophobicContact CG2-CD2 3.97Å; V904-L930 HydrophobicContact CG1-CD2 4.46Å; L915-L930 HydrophobicContact CB-CD1 4.33Å; L915-L930 HydrophobicContact CD1-CB 4.29Å; L915-L930 HydrophobicContact CD1-CD1 4.48Å; A918-L930 HydrophobicContact CB-CD1 4.16Å; I926-L930 HydrophobicContact CG2-CD1 3.87Å; I926-L930 HydrophobicContact CG2-CG 4.2Å; I926-L930 WeakPolarHBondContact O-CB 3.43Å; I926-L930 VanDerWaalsContact O-CG 3.28Å; I926-L930 WeakPolarHBondContact O-CG 3.38Å; I926-L930 PolarHBondContact O-N 3.31Å; V927-L930 PolarHBondContact O-N 3.06Å; L930-F933 PolarHBondContact O-N 2.95Å; L930-G934 PolarHBondContact O-N 3.19Å; L930-C935 HydrophobicContact CB-CB 4.47Å; L930-C935 WeakPolarHBondContact O-CB 3.49Å; L930-C935 PolarHBondContact O-N 3.35Å
931L93.7Very high93.6Very high8 Ų843.8 Ų43.84%0.04225%0.253CS..Hα-helixtrans-66.1-40174.6-66.1170.9000111.8L915 V927 M929 F933 G934 P937 L962 L963 H966L915-L931 HydrophobicContact CD1-CD2 4.25Å; L915-L931 HydrophobicContact CD1-CG 4.18Å; L915-L931 HydrophobicContact CD2-CD2 3.76Å; V927-L931 HydrophobicContact CG1-CD1 3.66Å; V927-L931 HydrophobicContact CG1-CG 4.38Å; V927-L931 WeakPolarHBondContact O-CB 3.39Å; V927-L931 VanDerWaalsContact O-CG 3.23Å; V927-L931 WeakPolarHBondContact O-CG 3.46Å; V927-L931 PolarHBondContact O-N 3.43Å; M929-L931 VanDerWaalsContact C-N 3.35Å; M929-L931 PolarHBondContact O-N 3.29Å; L931-F933 PolarHBondContact O-N 3.3Å; L931-G934 PolarHBondContact O-N 3.5Å; L931-P937 HydrophobicContact CD2-CB 3.92Å; L931-P937 HydrophobicContact CD2-CG 4.36Å; L931-L962 HydrophobicContact CD1-CB 4.32Å; L931-L963 HydrophobicContact CD1-CD2 4.09Å; L931-L963 HydrophobicContact CD2-CD2 4.27Å; L931-H966 HydrophobicContact CB-CB 4.12Å; L931-H966 HydrophobicContact CD1-CB 4.16Å; L931-H966 HydrophobicContact CD2-CB 4.08Å; L931-H966 HydrophobicContact CG-CB 4.35Å
932S91Very high93.5Very high84 Ų8444 Ų4459%0.58726%0.256SS*.Hα-helixtrans-63.3-24.9174.1-66.30000113.6D928 M929D928-S932 WeakPolarHBondContact O-CB 3.36Å; D928-S932 PolarHBondContact O-N 3.3Å; D928-S932 PolarHBondContact O-OG 2.87Å; M929-S932 WeakPolarHBondContact O-CB 3.29Å; M929-S932 PolarHBondContact O-N 3.25Å
933F87.9Confident93.4Very high89 Ų8943.3 Ų43.339%0.3925%0.253SS..THydrogen-bonded Turntrans-87.5-2171.8-77.6-66.1000114.1Y893 V896 M929 L930 L931Y893-F933 HydrophobicContact CD2-CE2 4.04Å; Y893-F933 HydrophobicContact CD2-CZ 4.06Å; Y893-F933 HydrophobicContact CE2-CE2 4.27Å; Y893-F933 AromaticContact CE2-CZ 3.87Å; Y893-F933 HydrophobicContact CE2-CZ 3.87Å; V896-F933 HydrophobicContact CB-CD2 4.1Å; V896-F933 HydrophobicContact CB-CE2 4.26Å; V896-F933 HydrophobicContact CB-CG 4.45Å; V896-F933 HydrophobicContact CG1-CB 3.66Å; V896-F933 HydrophobicContact CG1-CD1 3.79Å; V896-F933 HydrophobicContact CG1-CD2 3.48Å; V896-F933 VanDerWaalsContact CG1-CD2 3.48Å; V896-F933 HydrophobicContact CG1-CE1 4.25Å; V896-F933 HydrophobicContact CG1-CE2 3.99Å; V896-F933 HydrophobicContact CG1-CG 3.37Å; V896-F933 HydrophobicContact CG1-CZ 4.34Å; M929-F933 HydrophobicContact CG-CD2 3.93Å; M929-F933 HydrophobicContact CG-CE2 3.78Å; M929-F933 WeakPolarHBondContact O-CD2 3.27Å; M929-F933 PolarHBondContact O-N 3.22Å; M929-F933 VanDerWaalsContact O-N 3.07Å; L930-F933 PolarHBondContact O-N 2.95Å; L931-F933 PolarHBondContact O-N 3.3Å
934G87.2Confident93.2Very high62 Ų6242.1 Ų42.164%0.63925%0.252SS*.THydrogen-bonded Turntrans93.719.5171.500000116.4L930 L931L930-G934 PolarHBondContact O-N 3.19Å; L931-G934 PolarHBondContact O-N 3.5Å
935C91Very high93.3Very high6 Ų643 Ų434%0.04125%0.249CC..  trans-57.8137.8167-80.80000111.6V904 D905 L915 L930 P937V904-C935 WeakPolarHBondContact CG1-SG 3.44Å; D905-C935 WeakPolarHBondContact OD1-CB 3.47Å; D905-C935 PolarHBondContact OD1-SG 3.19Å; D905-C935 WeakPolarHBondContact OD2-CA 3.48Å; L915-C935 HydrophobicContact CD2-CB 4.3Å; L930-C935 HydrophobicContact CB-CB 4.47Å; L930-C935 WeakPolarHBondContact O-CB 3.49Å; L930-C935 PolarHBondContact O-N 3.35Å; C935-P937 VanDerWaalsContact O-CD 3.28Å; C935-P937 WeakPolarHBondContact O-CD 3.47Å
936D93.1Very high93.4Very high64 Ų6439.2 Ų39.234%0.34223%0.229SC..  trans-76.4114.5178.2179.112000111.7D905 N938 M939D905-D936 PolarHBondContact OD2-N 3.49Å; D936-N938 PolarHBondContact O-N 3.29Å; D936-N938 VanDerWaalsContact O-N 3.11Å; D936-N938 VanDerWaalsContact OD1-CB 3.25Å; D936-N938 WeakPolarHBondContact OD1-CB 3.36Å; D936-N938 PolarHBondContact OD1-N 3.24Å; D936-N938 PolarHBondContact OD1-ND2 2.85Å; D936-M939 HydrophobicContact CB-CG 3.95Å; D936-M939 PolarHBondContact O-N 3.16Å
937P95Very high93.4Very high7 Ų739.2 Ų39.25%0.04523%0.229CC..THydrogen-bonded Turntrans-69.2-5178.330.5-36.6000114.3L915 L931 C935 P947 L963 A968L915-P937 HydrophobicContact CD2-CB 4.43Å; L931-P937 HydrophobicContact CD2-CB 3.92Å; L931-P937 HydrophobicContact CD2-CG 4.36Å; C935-P937 VanDerWaalsContact O-CD 3.28Å; C935-P937 WeakPolarHBondContact O-CD 3.47Å; P937-P947 WeakPolarHBondContact O-CD 3.37Å; P937-L963 HydrophobicContact CB-CD2 3.77Å; P937-A968 HydrophobicContact CB-CB 3.95Å; P937-A968 HydrophobicContact CG-CB 4.18Å
938N95.3Very high93.5Very high52 Ų5239.2 Ų39.228%0.27823%0.229SC..THydrogen-bonded Turntrans-95.5-6.2-177.9-57.1-78.7000114D936 A940 T946 G967 N969D936-N938 PolarHBondContact O-N 3.29Å; D936-N938 VanDerWaalsContact O-N 3.11Å; D936-N938 VanDerWaalsContact OD1-CB 3.25Å; D936-N938 WeakPolarHBondContact OD1-CB 3.36Å; D936-N938 PolarHBondContact OD1-N 3.24Å; D936-N938 PolarHBondContact OD1-ND2 2.85Å; N938-A940 PolarHBondContact O-N 3.19Å; N938-T946 VanDerWaalsContact O-CG2 3.31Å; N938-T946 WeakPolarHBondContact O-CG2 3.47Å; N938-G967 PolarHBondContact ND2-O 3.16Å; N938-N969 VanDerWaalsContact OD1-CB 3.25Å; N938-N969 WeakPolarHBondContact OD1-CB 3.23Å; N938-N969 PolarHBondContact OD1-N 3.45Å
939M94.2Very high93.6Very high48 Ų4836.1 Ų36.124%0.23621%0.212CC..  trans-61.3134.1178.3-69.2-69.2-117.100111.4D905 F907 T913 D936 P947D905-M939 HydrophobicContact CB-CE 3.68Å; D905-M939 HydrophobicContact CB-CG 4.39Å; F907-M939 HydrophobicContact CE1-CB 4.22Å; F907-M939 HydrophobicContact CE1-CE 4.22Å; F907-M939 HydrophobicContact CE1-SD 4.34Å; F907-M939 HydrophobicContact CE2-CE 3.83Å; F907-M939 HydrophobicContact CE2-SD 4.48Å; F907-M939 HydrophobicContact CZ-CB 4.44Å; F907-M939 HydrophobicContact CZ-CE 3.45Å; F907-M939 VanDerWaalsContact CZ-CE 3.45Å; F907-M939 HydrophobicContact CZ-SD 3.65Å; T913-M939 HydrophobicContact CG2-CB 3.79Å; T913-M939 HydrophobicContact CG2-CG 4.28Å; D936-M939 HydrophobicContact CB-CG 3.95Å; D936-M939 PolarHBondContact O-N 3.16Å; M939-P947 WeakPolarHBondContact O-CD 3.44Å
940A93.6Very high93.7Very high39 Ų3934.9 Ų34.932%0.32221%0.207SC..  trans-124.6144.2-165.900000113.9N938 R945 T946N938-A940 PolarHBondContact O-N 3.19Å; A940-R945 WeakPolarHBondContact CA-O 3.5Å; A940-T946 HydrophobicContact CB-CG2 4.24Å
941D94.1Very high93.8Very high14 Ų1434.9 Ų34.98%0.07521%0.207CC..  trans-69.1177.3178.579.8-13.9000113.8G911 R912 Y916 H943 G944 R945G911-D941 WeakPolarHBondContact O-CA 3.46Å; R912-D941 HydrophobicContact CG-CB 4.25Å; Y916-D941 HydrophobicContact CE2-CB 4Å; Y916-D941 PolarHBondContact OH-OD2 2.99Å; D941-H943 VanDerWaalsContact CG-N 3.34Å; D941-H943 PolarHBondContact O-N 2.93Å; D941-H943 WeakPolarHBondContact OD1-CA 3.29Å; D941-H943 VanDerWaalsContact OD1-CB 3.31Å; D941-H943 WeakPolarHBondContact OD1-CB 3.42Å; D941-H943 PolarHBondContact OD1-N 2.87Å; D941-H943 IonicContact OD2-CD2 3.94Å; D941-H943 IonicContact OD2-CG 3.32Å; D941-G944 PolarHBondContact O-N 2.99Å; D941-G944 PolarHBondContact OD1-N 3.25Å; D941-R945 PolarHBondContact N-O 2.93Å; D941-R945 VanDerWaalsContact N-O 3.07Å; D941-R945 WeakPolarHBondContact OD1-CB 3.26Å; D941-R945 PolarHBondContact OD1-N 3.25Å; D941-R945 IonicContact OD2-NH1 2.75Å
942L93Very high94Very high90 Ų9034.5 Ų34.547%0.47121%0.205SC..THydrogen-bonded Turntrans-65.18.6170.9-72.2-176.3000114.6I909 E910 R975I909-L942 WeakPolarHBondContact O-CD1 3.45Å; E910-L942 WeakPolarHBondContact O-CB 3.29Å; E910-L942 WeakPolarHBondContact O-CG 3.5Å; E910-L942 PolarHBondContact O-N 3.09Å; L942-R975 PolarHBondContact O-NE 3.27Å; L942-R975 PolarHBondContact O-NH1 3.3Å; L942-R975 PolarHBondContact O-NH2 3.01Å; L942-R975 VanDerWaalsContact O-NH2 3.17Å
943H92.5Very high94.2Very high78 Ų7835.4 Ų35.436%0.36120%0.195SC..THydrogen-bonded Turntrans-116.23.8166.7-60-72.3000113.3D941 R945 R975D941-H943 VanDerWaalsContact CG-N 3.34Å; D941-H943 PolarHBondContact O-N 2.93Å; D941-H943 WeakPolarHBondContact OD1-CA 3.29Å; D941-H943 VanDerWaalsContact OD1-CB 3.31Å; D941-H943 WeakPolarHBondContact OD1-CB 3.42Å; D941-H943 PolarHBondContact OD1-N 2.87Å; D941-H943 IonicContact OD2-CD2 3.94Å; D941-H943 IonicContact OD2-CG 3.32Å; H943-R945 VanDerWaalsContact C-N 3.33Å; H943-R945 HydrophobicContact CB-CG 4.19Å; H943-R975 VanDerWaalsContact O-CB 3.3Å; H943-R975 WeakPolarHBondContact O-CB 3.31Å; H943-R975 WeakPolarHBondContact O-CG 3.28Å; H943-R975 PolarHBondContact O-N 3.46Å
944G92.9Very high94.5Very high18 Ų1833.2 Ų33.219%0.18619%0.188CC..SBendtrans79.910.3-177.800000114.3D941D941-G944 PolarHBondContact O-N 2.99Å; D941-G944 PolarHBondContact OD1-N 3.25Å
945R95.4Very high94.9Very high51 Ų5131.3 Ų31.319%0.19217%0.167CC..  trans-86.1118.5-176.7-59.5169.3-179.9146.3-1.8110.1A940 D941 H943 H949 D974A940-R945 WeakPolarHBondContact CA-O 3.5Å; D941-R945 PolarHBondContact N-O 2.93Å; D941-R945 VanDerWaalsContact N-O 3.07Å; D941-R945 WeakPolarHBondContact OD1-CB 3.26Å; D941-R945 PolarHBondContact OD1-N 3.25Å; D941-R945 IonicContact OD2-NH1 2.75Å; H943-R945 VanDerWaalsContact C-N 3.33Å; H943-R945 HydrophobicContact CB-CG 4.19Å; R945-H949 HydrophobicContact CB-CB 4.1Å; R945-D974 HydrophobicContact CG-CB 4.1Å
946T96.7Very high95.1Very high7 Ų732.2 Ų32.24%0.04317%0.172CC..  trans-77.7162.2168.970.80000111N938 A940 L948 H949 V950 A972N938-T946 VanDerWaalsContact O-CG2 3.31Å; N938-T946 WeakPolarHBondContact O-CG2 3.47Å; A940-T946 HydrophobicContact CB-CG2 4.24Å; T946-L948 PolarHBondContact O-N 3.09Å; T946-L948 PolarHBondContact OG1-N 2.69Å; T946-H949 PolarHBondContact N-ND1 2.81Å; T946-H949 WeakPolarHBondContact O-CB 3.45Å; T946-H949 PolarHBondContact O-N 3.45Å; T946-H949 PolarHBondContact OG1-ND1 2.94Å; T946-V950 PolarHBondContact O-N 3.5Å; T946-A972 HydrophobicContact CG2-CB 4.17Å
947P96.6Very high95.2Very high0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-44-36.5167.8-33.133.8000114.6L915 V919 P937 M939 H949 V950 A951 L963L915-P947 HydrophobicContact CD2-CG 4.13Å; L915-P947 HydrophobicContact CG-CG 4.16Å; V919-P947 HydrophobicContact CG2-CB 4.13Å; P937-P947 WeakPolarHBondContact O-CD 3.37Å; M939-P947 WeakPolarHBondContact O-CD 3.44Å; P947-H949 VanDerWaalsContact C-N 3.32Å; P947-H949 PolarHBondContact O-N 2.85Å; P947-V950 PolarHBondContact O-N 3.15Å; P947-A951 WeakPolarHBondContact O-CB 3.48Å; P947-A951 PolarHBondContact O-N 2.99Å; P947-L963 HydrophobicContact CB-CD1 4.03Å; P947-L963 HydrophobicContact CB-CD2 3.89Å
948L97.6Very high95.2Very high1 Ų134.6 Ų34.61%0.00519%0.188CC..Hα-helixtrans-64.6-32.8178-171.365.4000113.1T946 S952 V960 L963 L964 A968 A980 L996T946-L948 PolarHBondContact O-N 3.09Å; T946-L948 PolarHBondContact OG1-N 2.69Å; L948-S952 VanDerWaalsContact O-CB 3.24Å; L948-S952 WeakPolarHBondContact O-CB 3.49Å; L948-S952 PolarHBondContact O-N 2.89Å; L948-S952 PolarHBondContact O-OG 3.28Å; L948-V960 HydrophobicContact CD1-CG1 4.04Å; L948-V960 HydrophobicContact CD1-CG2 4.48Å; L948-L963 HydrophobicContact CB-CD1 4.47Å; L948-L963 HydrophobicContact CD1-CB 4.24Å; L948-L963 HydrophobicContact CD1-CD1 4.38Å; L948-L964 HydrophobicContact CD1-CD2 4.25Å; L948-L964 HydrophobicContact CD1-CG 4.15Å; L948-L964 HydrophobicContact CD2-CD2 3.97Å; L948-A968 HydrophobicContact CB-CB 4.36Å; L948-A968 HydrophobicContact CD2-CB 4.14Å; L948-A980 HydrophobicContact CD2-CB 3.99Å; L948-A980 HydrophobicContact CG-CB 3.87Å; L948-L996 HydrophobicContact CD1-CD2 4.25Å; L948-L996 HydrophobicContact CD2-CD2 4.15Å; L948-L996 HydrophobicContact CG-CD2 4.41Å
949H96.8Very high95.3Very high3 Ų332.1 Ų32.11%0.01418%0.175CC..Hα-helixtrans-66.5-41.8173.4-65.973.3000111.1R945 T946 P947 S952 W953 A972 D974 R978 I983R945-H949 HydrophobicContact CB-CB 4.1Å; T946-H949 PolarHBondContact N-ND1 2.81Å; T946-H949 WeakPolarHBondContact O-CB 3.45Å; T946-H949 PolarHBondContact O-N 3.45Å; T946-H949 PolarHBondContact OG1-ND1 2.94Å; P947-H949 VanDerWaalsContact C-N 3.32Å; P947-H949 PolarHBondContact O-N 2.85Å; H949-S952 PolarHBondContact O-N 3.07Å; H949-W953 WeakPolarHBondContact O-CB 3.25Å; H949-W953 PolarHBondContact O-N 2.85Å; H949-A972 PolarHBondContact CE1-O 2.9Å; H949-A972 PolarHBondContact NE2-O 2.93Å; H949-D974 PolarHBondContact NE2-N 3.01Å; H949-R978 PolarHBondContact NE2-O 3.42Å; H949-R978 VanDerWaalsContact NE2-O 3.12Å; H949-I983 HydrophobicContact CB-CD1 3.91Å
950V95.9Very high95.5Very high11 Ų1129.9 Ų29.97%0.06716%0.164CC..Hα-helixtrans-66.8-49.7178.8-173.30000110.6Y916 V919 L920 T946 P947 S952 W953 L954Y916-V950 HydrophobicContact CD2-CG2 4.12Å; Y916-V950 HydrophobicContact CE1-CG2 4.05Å; Y916-V950 HydrophobicContact CE2-CG2 3.44Å; Y916-V950 VanDerWaalsContact CE2-CG2 3.44Å; Y916-V950 WeakPolarHBondContact OH-CG2 3.49Å; V919-V950 HydrophobicContact CG1-CB 3.87Å; V919-V950 HydrophobicContact CG1-CG1 3.94Å; L920-V950 HydrophobicContact CB-CG1 4.44Å; L920-V950 HydrophobicContact CD1-CG1 4Å; T946-V950 PolarHBondContact O-N 3.5Å; P947-V950 PolarHBondContact O-N 3.15Å; V950-S952 PolarHBondContact O-N 3.27Å; V950-W953 WeakPolarHBondContact O-CB 3.39Å; V950-W953 PolarHBondContact O-N 2.99Å; V950-L954 HydrophobicContact CG1-CD1 3.94Å; V950-L954 HydrophobicContact CG1-CG 4.49Å; V950-L954 WeakPolarHBondContact O-CG 3.37Å; V950-L954 PolarHBondContact O-N 3.12Å
951A97Very high95.6Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-57.6-38.1176.500000112V919 P947 G955 N956 I959 V960 L963V919-A951 HydrophobicContact CG1-CB 3.9Å; P947-A951 WeakPolarHBondContact O-CB 3.48Å; P947-A951 PolarHBondContact O-N 2.99Å; A951-G955 WeakPolarHBondContact O-CA 3.26Å; A951-G955 PolarHBondContact O-N 3.29Å; A951-N956 PolarHBondContact O-N 3Å; A951-N956 VanDerWaalsContact O-N 3.09Å; A951-I959 HydrophobicContact CB-CB 4.44Å; A951-I959 HydrophobicContact CB-CG2 3.68Å; A951-V960 HydrophobicContact CB-CG2 3.65Å; A951-L963 HydrophobicContact CB-CD1 3.86Å
952S96.4Very high95.7Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-72.2-33.6175.7-58.60000113.5L948 H949 V950 G955L948-S952 VanDerWaalsContact O-CB 3.24Å; L948-S952 WeakPolarHBondContact O-CB 3.49Å; L948-S952 PolarHBondContact O-N 2.89Å; L948-S952 PolarHBondContact O-OG 3.28Å; H949-S952 PolarHBondContact O-N 3.07Å; V950-S952 PolarHBondContact O-N 3.27Å; S952-G955 PolarHBondContact O-N 3.48Å
953W95.5Very high96Very high103 Ų10326.9 Ų26.939%0.3914%0.141SC..Hα-helixtrans-68.7-42.9176.4176.5-90.1000112.8H949 V950 I983 W986 R987H949-W953 WeakPolarHBondContact O-CB 3.25Å; H949-W953 PolarHBondContact O-N 2.85Å; V950-W953 WeakPolarHBondContact O-CB 3.39Å; V950-W953 PolarHBondContact O-N 2.99Å; W953-I983 HydrophobicContact CB-CG2 3.8Å; W953-I983 HydrophobicContact CE3-CG2 4.05Å; W953-W986 HydrophobicContact CH2-CZ3 4.1Å; W953-W986 AromaticContact CZ3-CE3 3.81Å; W953-W986 HydrophobicContact CZ3-CE3 3.81Å; W953-W986 HydrophobicContact CZ3-CH2 4.5Å; W953-W986 AromaticContact CZ3-CZ3 3.63Å; W953-W986 HydrophobicContact CZ3-CZ3 3.63Å; W953-R987 HydrophobicContact CD2-CG 4.1Å; W953-R987 HydrophobicContact CE3-CG 3.76Å; W953-R987 HydrophobicContact CZ3-CG 4.09Å; W953-R987 PolarHBondContact O-NE 2.97Å; W953-R987 VanDerWaalsContact O-NE 3.1Å
954L95.1Very high96.1Very high44 Ų4424 Ų2423%0.2313%0.128CC..Hα-helixtrans-69.4-38.5172.9-63.1170.7000110.2V919 E922 V950 K989V919-L954 WeakPolarHBondContact O-CD1 3.47Å; E922-L954 HydrophobicContact CG-CD1 3.82Å; V950-L954 HydrophobicContact CG1-CD1 3.94Å; V950-L954 HydrophobicContact CG1-CG 4.49Å; V950-L954 WeakPolarHBondContact O-CG 3.37Å; V950-L954 PolarHBondContact O-N 3.12Å; L954-K989 VanDerWaalsContact O-CE 3.29Å; L954-K989 WeakPolarHBondContact O-CE 3.43Å; L954-K989 PolarHBondContact O-NZ 3.49Å
955G94.8Very high96.2Very high21 Ų2131.2 Ų31.222%0.21615%0.15CC..THydrogen-bonded Turntrans85.426.5-178.200000113.6A951 S952 L957A951-G955 WeakPolarHBondContact O-CA 3.26Å; A951-G955 PolarHBondContact O-N 3.29Å; S952-G955 PolarHBondContact O-N 3.48Å; G955-L957 PolarHBondContact O-N 3.29Å; G955-L957 VanDerWaalsContact O-N 3.15Å
956N94.9Very high96.2Very high26 Ų2632.4 Ų32.414%0.13916%0.157CC..  trans-79.793.5-177.4-170.3-56.2000109.9E922 A951 P958 I959 V960E922-N956 WeakPolarHBondContact OE2-CB 3.49Å; E922-N956 PolarHBondContact OE2-ND2 2.84Å; A951-N956 PolarHBondContact O-N 3Å; A951-N956 VanDerWaalsContact O-N 3.09Å; N956-P958 WeakPolarHBondContact OD1-CD 3.28Å; N956-I959 HydrophobicContact CB-CB 4.2Å; N956-I959 HydrophobicContact CB-CD1 4.35Å; N956-I959 PolarHBondContact O-N 3.38Å; N956-I959 WeakPolarHBondContact OD1-CB 3.5Å; N956-I959 VanDerWaalsContact OD1-CG1 3.31Å; N956-I959 WeakPolarHBondContact OD1-CG1 3.48Å; N956-I959 PolarHBondContact OD1-N 2.9Å; N956-I959 VanDerWaalsContact OD1-N 3.07Å; N956-V960 WeakPolarHBondContact O-CG2 3.47Å; N956-V960 PolarHBondContact O-N 3Å
957L95.4Very high96.1Very high43 Ų4334.4 Ų34.423%0.22518%0.179CC..Hα-helixtrans-58.3-44.6-174.3-168.671.6000113.5G955 I959 V960 E961 N991 V992 V995G955-L957 PolarHBondContact O-N 3.29Å; G955-L957 VanDerWaalsContact O-N 3.15Å; L957-I959 PolarHBondContact O-N 3.42Å; L957-V960 PolarHBondContact O-N 3.25Å; L957-E961 PolarHBondContact O-N 2.91Å; L957-N991 HydrophobicContact CD1-CB 4.1Å; L957-N991 HydrophobicContact CD2-CB 4.01Å; L957-V992 HydrophobicContact CB-CG2 4.44Å; L957-V992 HydrophobicContact CD1-CB 4.49Å; L957-V992 HydrophobicContact CD1-CG2 3.83Å; L957-V995 HydrophobicContact CD1-CB 4.11Å; L957-V995 HydrophobicContact CD1-CG2 3.82Å
958P96.4Very high96.1Very high77 Ų7734.8 Ų34.850%0.518%0.183SC..Hα-helixtrans-56.1-45.5174.2-27.135.8000113.6N956 E961 L962N956-P958 WeakPolarHBondContact OD1-CD 3.28Å; P958-E961 PolarHBondContact O-N 2.97Å; P958-L962 WeakPolarHBondContact O-CB 3.44Å; P958-L962 VanDerWaalsContact O-CG 3.29Å; P958-L962 WeakPolarHBondContact O-CG 3.22Å; P958-L962 PolarHBondContact O-N 3.17Å
959I97.6Very high96Very high1 Ų138.6 Ų38.61%0.00520%0.203CC..Hα-helixtrans-67.4-38.6179.2-70.2176.4000111.4V919 E922 A924 V927 A951 N956 L957 L962 L963V919-I959 HydrophobicContact CB-CG2 4.39Å; V919-I959 HydrophobicContact CG1-CG2 4.01Å; V919-I959 HydrophobicContact CG2-CG2 3.75Å; E922-I959 HydrophobicContact CB-CD1 4.46Å; A924-I959 HydrophobicContact CB-CD1 4.16Å; A924-I959 HydrophobicContact CB-CG1 3.74Å; V927-I959 HydrophobicContact CG1-CG2 4.35Å; V927-I959 HydrophobicContact CG2-CD1 4.34Å; V927-I959 HydrophobicContact CG2-CG1 4.47Å; A951-I959 HydrophobicContact CB-CB 4.44Å; A951-I959 HydrophobicContact CB-CG2 3.68Å; N956-I959 HydrophobicContact CB-CB 4.2Å; N956-I959 HydrophobicContact CB-CD1 4.35Å; N956-I959 PolarHBondContact O-N 3.38Å; N956-I959 WeakPolarHBondContact OD1-CB 3.5Å; N956-I959 VanDerWaalsContact OD1-CG1 3.31Å; N956-I959 WeakPolarHBondContact OD1-CG1 3.48Å; N956-I959 PolarHBondContact OD1-N 2.9Å; N956-I959 VanDerWaalsContact OD1-N 3.07Å; L957-I959 PolarHBondContact O-N 3.42Å; I959-L962 PolarHBondContact O-N 2.68Å; I959-L963 HydrophobicContact CG2-CD1 3.86Å; I959-L963 HydrophobicContact CG2-CG 4.37Å; I959-L963 WeakPolarHBondContact O-CB 3.33Å; I959-L963 VanDerWaalsContact O-CG 3.29Å; I959-L963 WeakPolarHBondContact O-CG 3.25Å; I959-L963 PolarHBondContact O-N 2.76Å
960V97.6Very high96Very high0 Ų039.3 Ų39.30%021%0.207CC..Hα-helixtrans-60.3-46.7173.31700000111L948 A951 N956 L957 L962 L963 L964 V992 V995 L996L948-V960 HydrophobicContact CD1-CG1 4.04Å; L948-V960 HydrophobicContact CD1-CG2 4.48Å; A951-V960 HydrophobicContact CB-CG2 3.65Å; N956-V960 WeakPolarHBondContact O-CG2 3.47Å; N956-V960 PolarHBondContact O-N 3Å; L957-V960 PolarHBondContact O-N 3.25Å; V960-L962 PolarHBondContact O-N 3.03Å; V960-L963 PolarHBondContact O-N 3.24Å; V960-L964 HydrophobicContact CG1-CD1 3.66Å; V960-L964 HydrophobicContact CG1-CG 4.36Å; V960-L964 WeakPolarHBondContact O-CB 3.24Å; V960-L964 VanDerWaalsContact O-CG 3.27Å; V960-L964 WeakPolarHBondContact O-CG 3.42Å; V960-L964 PolarHBondContact O-N 2.54Å; V960-V992 HydrophobicContact CG1-CG1 4.26Å; V960-V992 HydrophobicContact CG2-CG1 3.94Å; V960-V992 HydrophobicContact CG2-CG2 4.28Å; V960-V995 HydrophobicContact CG1-CG1 4.32Å; V960-L996 HydrophobicContact CG1-CD2 4.35Å
961E96.7Very high95.9Very high56 Ų5641.8 Ų41.826%0.26222%0.22SC..Hα-helixtrans-62.7-41.3176.6-74.8-173.3-135.500112.4L957 P958 L964 R965 V995L957-E961 PolarHBondContact O-N 2.91Å; P958-E961 PolarHBondContact O-N 2.97Å; E961-L964 PolarHBondContact O-N 2.98Å; E961-R965 WeakPolarHBondContact O-CB 3.31Å; E961-R965 WeakPolarHBondContact O-CD 3.06Å; E961-R965 WeakPolarHBondContact O-CG 3.46Å; E961-R965 PolarHBondContact O-N 2.91Å; E961-R965 IonicContact OE2-CZ 2.73Å; E961-R965 IonicContact OE2-NE 3.44Å; E961-R965 IonicContact OE2-NH2 2.78Å; E961-R965 PolarHBondContact OE2-NH2 3.13Å; E961-V995 HydrophobicContact CG-CG1 4.01Å
962L96.2Very high95.9Very high24 Ų2442.5 Ų42.513%0.12623%0.227CC..Hα-helixtrans-61.3-45.7176.7-74.6171.2000112.3A924 V927 D928 L931 P958 I959 V960 H966A924-L962 HydrophobicContact CB-CD1 4.39Å; A924-L962 WeakPolarHBondContact O-CD1 3.35Å; V927-L962 HydrophobicContact CG1-CB 4.36Å; V927-L962 HydrophobicContact CG1-CD1 4.39Å; D928-L962 HydrophobicContact CB-CD1 4Å; D928-L962 HydrophobicContact CB-CD2 4.03Å; D928-L962 VanDerWaalsContact OD1-CD2 3.3Å; D928-L962 WeakPolarHBondContact OD1-CD2 3.45Å; L931-L962 HydrophobicContact CD1-CB 4.32Å; P958-L962 WeakPolarHBondContact O-CB 3.44Å; P958-L962 VanDerWaalsContact O-CG 3.29Å; P958-L962 WeakPolarHBondContact O-CG 3.22Å; P958-L962 PolarHBondContact O-N 3.17Å; I959-L962 PolarHBondContact O-N 2.68Å; V960-L962 PolarHBondContact O-N 3.03Å; L962-H966 PolarHBondContact O-N 2.76Å; L962-H966 PolarHBondContact O-ND1 3.02Å
963L97.3Very high95.7Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-63.7-45.7177.9-72.8167.2000111.8L915 V919 L931 P937 P947 L948 A951 I959 V960 H966 G967 A968L915-L963 HydrophobicContact CD2-CD2 4.4Å; V919-L963 HydrophobicContact CG2-CD1 4.3Å; L931-L963 HydrophobicContact CD1-CD2 4.09Å; L931-L963 HydrophobicContact CD2-CD2 4.27Å; P937-L963 HydrophobicContact CB-CD2 3.77Å; P947-L963 HydrophobicContact CB-CD1 4.03Å; P947-L963 HydrophobicContact CB-CD2 3.89Å; L948-L963 HydrophobicContact CB-CD1 4.47Å; L948-L963 HydrophobicContact CD1-CB 4.24Å; L948-L963 HydrophobicContact CD1-CD1 4.38Å; A951-L963 HydrophobicContact CB-CD1 3.86Å; I959-L963 HydrophobicContact CG2-CD1 3.86Å; I959-L963 HydrophobicContact CG2-CG 4.37Å; I959-L963 WeakPolarHBondContact O-CB 3.33Å; I959-L963 VanDerWaalsContact O-CG 3.29Å; I959-L963 WeakPolarHBondContact O-CG 3.25Å; I959-L963 PolarHBondContact O-N 2.76Å; V960-L963 PolarHBondContact O-N 3.24Å; L963-H966 CarbonylContact O-C 3.48Å; L963-H966 PolarHBondContact O-N 2.86Å; L963-G967 PolarHBondContact O-N 3.43Å; L963-A968 HydrophobicContact CB-CB 3.96Å; L963-A968 VanDerWaalsContact O-CB 3.23Å; L963-A968 WeakPolarHBondContact O-CB 3.17Å; L963-A968 PolarHBondContact O-N 2.86Å
964L96.3Very high95.7Very high18 Ų1839.5 Ų39.59%0.09423%0.226CC..Hα-helixtrans-64.8-41.2178.9-69.5168.1000112.1L948 V960 E961 H966 G967 V970 V995 L996 H999L948-L964 HydrophobicContact CD1-CD2 4.25Å; L948-L964 HydrophobicContact CD1-CG 4.15Å; L948-L964 HydrophobicContact CD2-CD2 3.97Å; V960-L964 HydrophobicContact CG1-CD1 3.66Å; V960-L964 HydrophobicContact CG1-CG 4.36Å; V960-L964 WeakPolarHBondContact O-CB 3.24Å; V960-L964 VanDerWaalsContact O-CG 3.27Å; V960-L964 WeakPolarHBondContact O-CG 3.42Å; V960-L964 PolarHBondContact O-N 2.54Å; E961-L964 PolarHBondContact O-N 2.98Å; L964-H966 PolarHBondContact O-N 3.08Å; L964-G967 PolarHBondContact O-N 2.9Å; L964-G967 VanDerWaalsContact O-N 3.12Å; L964-V970 HydrophobicContact CD2-CB 4.1Å; L964-V970 HydrophobicContact CD2-CG2 4.03Å; L964-V995 HydrophobicContact CD1-CG1 3.83Å; L964-L996 HydrophobicContact CD1-CD2 4.16Å; L964-L996 HydrophobicContact CD2-CD2 4.33Å; L964-H999 HydrophobicContact CD1-CB 4.28Å; L964-H999 HydrophobicContact CD2-CB 4.45Å
965R95Very high95.6Very high169 Ų16945.1 Ų45.164%0.63824%0.244SC*.Hα-helixtrans-61.4-29.5175.6-71.6165.9-167.5-1687.6113E961E961-R965 WeakPolarHBondContact O-CB 3.31Å; E961-R965 WeakPolarHBondContact O-CD 3.06Å; E961-R965 WeakPolarHBondContact O-CG 3.46Å; E961-R965 PolarHBondContact O-N 2.91Å; E961-R965 IonicContact OE2-CZ 2.73Å; E961-R965 IonicContact OE2-NE 3.44Å; E961-R965 IonicContact OE2-NH2 2.78Å; E961-R965 PolarHBondContact OE2-NH2 3.13Å
966H95Very high95.5Very high76 Ų7648.5 Ų48.535%0.35225%0.254SS..THydrogen-bonded Turntrans-9512.7177.3-68.796.5000114D928 L931 L962 L963 L964D928-H966 IonicContact OD1-CE1 3.86Å; L931-H966 HydrophobicContact CB-CB 4.12Å; L931-H966 HydrophobicContact CD1-CB 4.16Å; L931-H966 HydrophobicContact CD2-CB 4.08Å; L931-H966 HydrophobicContact CG-CB 4.35Å; L962-H966 PolarHBondContact O-N 2.76Å; L962-H966 PolarHBondContact O-ND1 3.02Å; L963-H966 CarbonylContact O-C 3.48Å; L963-H966 PolarHBondContact O-N 2.86Å; L964-H966 PolarHBondContact O-N 3.08Å
967G93.7Very high95.5Very high49 Ų4950.3 Ų50.351%0.50526%0.264SS..THydrogen-bonded Turntrans88.326.8170.700000115.6N938 L963 L964 N969N938-G967 PolarHBondContact ND2-O 3.16Å; L963-G967 PolarHBondContact O-N 3.43Å; L964-G967 PolarHBondContact O-N 2.9Å; L964-G967 VanDerWaalsContact O-N 3.12Å; G967-N969 PolarHBondContact O-N 3.17Å
968A96.4Very high95.4Very high8 Ų850.6 Ų50.67%0.06626%0.262CS..  trans-60.2126.2164.800000110.8P937 L948 L963 V970P937-A968 HydrophobicContact CB-CB 3.95Å; P937-A968 HydrophobicContact CG-CB 4.18Å; L948-A968 HydrophobicContact CB-CB 4.36Å; L948-A968 HydrophobicContact CD2-CB 4.14Å; L963-A968 HydrophobicContact CB-CB 3.96Å; L963-A968 VanDerWaalsContact O-CB 3.23Å; L963-A968 WeakPolarHBondContact O-CB 3.17Å; L963-A968 PolarHBondContact O-N 2.86Å; A968-V970 PolarHBondContact O-N 3.05Å; A968-V970 VanDerWaalsContact O-N 3.14Å
969N96Very high95.5Very high82 Ų8247.1 Ų47.144%0.43924%0.239SC..  trans-66.3111.7175.4177.813.5000110.1N938 G967 D971 A972N938-N969 VanDerWaalsContact OD1-CB 3.25Å; N938-N969 WeakPolarHBondContact OD1-CB 3.23Å; N938-N969 PolarHBondContact OD1-N 3.45Å; G967-N969 PolarHBondContact O-N 3.17Å; N969-D971 VanDerWaalsContact C-N 3.27Å; N969-D971 PolarHBondContact O-N 2.87Å; N969-D971 PolarHBondContact OD1-N 3.38Å; N969-A972 HydrophobicContact CB-CB 4.17Å; N969-A972 WeakPolarHBondContact O-CB 3.38Å; N969-A972 PolarHBondContact O-N 3.35Å
970V96.2Very high95.4Very high17 Ų1747.1 Ų47.110%0.10324%0.239CC..THydrogen-bonded Turntrans-65.7-30-175.973.30000112.9L964 A968 L996 A1001L964-V970 HydrophobicContact CD2-CB 4.1Å; L964-V970 HydrophobicContact CD2-CG2 4.03Å; A968-V970 PolarHBondContact O-N 3.05Å; A968-V970 VanDerWaalsContact O-N 3.14Å; V970-L996 HydrophobicContact CG2-CB 4.19Å; V970-L996 HydrophobicContact CG2-CD2 3.65Å; V970-A1001 HydrophobicContact CG1-CB 4.42Å; V970-A1001 HydrophobicContact CG2-CB 3.67Å
971D95.3Very high95.4Very high63 Ų6347.2 Ų47.234%0.33724%0.239SC..THydrogen-bonded Turntrans-10114.5-179.2-59.9-51.4000112.9N969 G973 A1001 D1002N969-D971 VanDerWaalsContact C-N 3.27Å; N969-D971 PolarHBondContact O-N 2.87Å; N969-D971 PolarHBondContact OD1-N 3.38Å; D971-G973 PolarHBondContact O-N 3.37Å; D971-A1001 WeakPolarHBondContact OD1-CA 3.49Å; D971-D1002 PolarHBondContact OD1-N 3.35Å
972A95.4Very high95.4Very high16 Ų1644.7 Ų44.713%0.13223%0.228CC..  trans-59.3130.9169.400000109.8T946 H949 N969 T979T946-A972 HydrophobicContact CG2-CB 4.17Å; H949-A972 PolarHBondContact CE1-O 2.9Å; H949-A972 PolarHBondContact NE2-O 2.93Å; N969-A972 HydrophobicContact CB-CB 4.17Å; N969-A972 WeakPolarHBondContact O-CB 3.38Å; N969-A972 PolarHBondContact O-N 3.35Å; A972-T979 WeakPolarHBondContact O-CA 3.46Å
973G94Very high95.3Very high31 Ų3144.1 Ų44.132%0.3223%0.225SC..BIsolated β-bridgetrans-109.6142.6177.300000112.4D971 R978D971-G973 PolarHBondContact O-N 3.37Å; G973-R978 WeakPolarHBondContact CA-O 3.25Å
974D94Very high95.3Very high9 Ų944.1 Ų44.15%0.04823%0.225CC..  trans-74.2-173.4173.779.1-2.3000113.3R945 H949 E976 N977 R978R945-D974 HydrophobicContact CG-CB 4.1Å; H949-D974 PolarHBondContact NE2-N 3.01Å; D974-E976 PolarHBondContact O-N 3.38Å; D974-E976 WeakPolarHBondContact OD1-CA 3.39Å; D974-E976 PolarHBondContact OD1-N 2.8Å; D974-N977 WeakPolarHBondContact O-CA 3.12Å; D974-N977 PolarHBondContact O-N 3.48Å; D974-N977 PolarHBondContact OD1-N 3.13Å; D974-R978 PolarHBondContact N-O 3.15Å; D974-R978 WeakPolarHBondContact OD1-CB 3.42Å; D974-R978 PolarHBondContact OD1-N 3.35Å; D974-R978 IonicContact OD1-NE 2.99Å; D974-R978 IonicContact OD1-NH2 3.55Å; D974-R978 IonicContact OD2-CZ 2.69Å; D974-R978 IonicContact OD2-NE 2.72Å; D974-R978 PolarHBondContact OD2-NE 2.97Å; D974-R978 IonicContact OD2-NH2 2.73Å; D974-R978 PolarHBondContact OD2-NH2 2.8Å
975R93.9Very high95.3Very high161 Ų16143.2 Ų43.261%0.60822%0.22SC*.THydrogen-bonded Turntrans-63.7-4.4178-78.5-174.1-173.4-1785.4115.6L942 H943 F1008L942-R975 PolarHBondContact O-NE 3.27Å; L942-R975 PolarHBondContact O-NH1 3.3Å; L942-R975 PolarHBondContact O-NH2 3.01Å; L942-R975 VanDerWaalsContact O-NH2 3.17Å; H943-R975 VanDerWaalsContact O-CB 3.3Å; H943-R975 WeakPolarHBondContact O-CB 3.31Å; H943-R975 WeakPolarHBondContact O-CG 3.28Å; H943-R975 PolarHBondContact O-N 3.46Å; R975-F1008 VanDerWaalsContact O-CE2 3.3Å; R975-F1008 WeakPolarHBondContact O-CE2 3.41Å
976E92.3Very high95.3Very high92 Ų9240.7 Ų40.743%0.4321%0.211SC..THydrogen-bonded Turntrans-109.810.4169.7-69.2169.7-115.100111.8D974 R978 C1007 F1008D974-E976 PolarHBondContact O-N 3.38Å; D974-E976 WeakPolarHBondContact OD1-CA 3.39Å; D974-E976 PolarHBondContact OD1-N 2.8Å; E976-R978 HydrophobicContact CB-CG 4.18Å; E976-R978 PolarHBondContact O-N 2.89Å; E976-R978 IonicContact OE1-CZ 2.68Å; E976-R978 IonicContact OE1-NH1 2.8Å; E976-R978 PolarHBondContact OE1-NH1 3.31Å; E976-R978 IonicContact OE1-NH2 3.44Å; E976-R978 PolarHBondContact OE1-NH2 2.77Å; E976-R978 IonicContact OE2-CZ 3.7Å; E976-R978 IonicContact OE2-NH1 3.16Å; E976-R978 PolarHBondContact OE2-NH1 3.1Å; E976-R978 IonicContact OE2-NH2 2.81Å; E976-C1007 WeakPolarHBondContact O-CA 3.45Å; E976-C1007 WeakPolarHBondContact O-CB 3.19Å; E976-F1008 PolarHBondContact O-N 3.28Å
977N94Very high95.3Very high65 Ų6542 Ų4235%0.34821%0.212SC..  trans56.632.6-170.6-155.866.5000113.5D974 Y1006 C1007 F1008D974-N977 WeakPolarHBondContact O-CA 3.12Å; D974-N977 PolarHBondContact O-N 3.48Å; D974-N977 PolarHBondContact OD1-N 3.13Å; N977-Y1006 PolarHBondContact ND2-O 3.22Å; N977-C1007 WeakPolarHBondContact O-CA 3.47Å; N977-F1008 HydrophobicContact CB-CD1 3.76Å; N977-F1008 HydrophobicContact CB-CE1 3.58Å; N977-F1008 HydrophobicContact CB-CE2 4.49Å; N977-F1008 HydrophobicContact CB-CG 4.29Å; N977-F1008 HydrophobicContact CB-CZ 3.98Å
978R95.1Very high95.4Very high49 Ų4943.6 Ų43.619%0.18521%0.209CC..  trans-84.6125.9172.9-61.3179.1-67.9-126.2-11.9110H949 G973 D974 E976 M982 C1007H949-R978 PolarHBondContact NE2-O 3.42Å; H949-R978 VanDerWaalsContact NE2-O 3.12Å; G973-R978 WeakPolarHBondContact CA-O 3.25Å; D974-R978 PolarHBondContact N-O 3.15Å; D974-R978 WeakPolarHBondContact OD1-CB 3.42Å; D974-R978 PolarHBondContact OD1-N 3.35Å; D974-R978 IonicContact OD1-NE 2.99Å; D974-R978 IonicContact OD1-NH2 3.55Å; D974-R978 IonicContact OD2-CZ 2.69Å; D974-R978 IonicContact OD2-NE 2.72Å; D974-R978 PolarHBondContact OD2-NE 2.97Å; D974-R978 IonicContact OD2-NH2 2.73Å; D974-R978 PolarHBondContact OD2-NH2 2.8Å; E976-R978 HydrophobicContact CB-CG 4.18Å; E976-R978 PolarHBondContact O-N 2.89Å; E976-R978 IonicContact OE1-CZ 2.68Å; E976-R978 IonicContact OE1-NH1 2.8Å; E976-R978 PolarHBondContact OE1-NH1 3.31Å; E976-R978 IonicContact OE1-NH2 3.44Å; E976-R978 PolarHBondContact OE1-NH2 2.77Å; E976-R978 IonicContact OE2-CZ 3.7Å; E976-R978 IonicContact OE2-NH1 3.16Å; E976-R978 PolarHBondContact OE2-NH1 3.1Å; E976-R978 IonicContact OE2-NH2 2.81Å; R978-M982 HydrophobicContact CB-SD 4.16Å; R978-M982 HydrophobicContact CG-SD 4.41Å; R978-C1007 HydrophobicContact CG-CB 4.02Å
979T96.8Very high95.4Very high4 Ų446.1 Ų46.13%0.02522%0.219CC..BIsolated β-bridgetrans-83.7165.9175.165.10000112.5A972 L981 M982 I983 A1005A972-T979 WeakPolarHBondContact O-CA 3.46Å; T979-L981 PolarHBondContact O-N 2.71Å; T979-M982 HydrophobicContact CG2-CE 4.48Å; T979-M982 PolarHBondContact O-N 3.44Å; T979-M982 VanDerWaalsContact O-N 3.12Å; T979-I983 PolarHBondContact O-N 3.03Å; T979-I983 VanDerWaalsContact O-N 3.17Å; T979-A1005 HydrophobicContact CG2-CB 4.07Å
980A96.5Very high95.4Very high1 Ų146.2 Ų46.21%0.00821%0.214CC..Hα-helixtrans-53.1-36.6171.600000112.8L948 I983 A984 L996L948-A980 HydrophobicContact CD2-CB 3.99Å; L948-A980 HydrophobicContact CG-CB 3.87Å; A980-I983 PolarHBondContact O-N 3.17Å; A980-A984 WeakPolarHBondContact O-CB 3.39Å; A980-A984 PolarHBondContact O-N 2.93Å; A980-L996 HydrophobicContact CB-CD1 4.11Å; A980-L996 HydrophobicContact CB-CD2 4.15Å
981L97.3Very high95.4Very high1 Ų150.2 Ų50.21%0.00523%0.234CC..Hα-helixtrans-64.2-44.8176.817861.9000112T979 I983 A984 V985 A993 L996 L997 A1001 A1013 L1029T979-L981 PolarHBondContact O-N 2.71Å; L981-I983 VanDerWaalsContact C-N 3.3Å; L981-I983 PolarHBondContact O-N 3.02Å; L981-A984 PolarHBondContact O-N 2.78Å; L981-V985 HydrophobicContact CD1-CG2 4.18Å; L981-V985 WeakPolarHBondContact O-CB 3.37Å; L981-V985 VanDerWaalsContact O-CG2 3.31Å; L981-V985 WeakPolarHBondContact O-CG2 3.42Å; L981-V985 PolarHBondContact O-N 3.14Å; L981-A993 HydrophobicContact CD1-CB 3.91Å; L981-L996 HydrophobicContact CB-CD1 4.38Å; L981-L996 HydrophobicContact CD1-CB 4.47Å; L981-L997 HydrophobicContact CD1-CD1 4.31Å; L981-L997 HydrophobicContact CD1-CD2 4.41Å; L981-L997 HydrophobicContact CD1-CG 4.02Å; L981-L997 HydrophobicContact CD2-CD2 3.74Å; L981-L997 HydrophobicContact CD2-CG 4.26Å; L981-A1001 HydrophobicContact CB-CB 4.31Å; L981-A1001 HydrophobicContact CD2-CB 4.07Å; L981-A1013 HydrophobicContact CD2-CB 4.06Å; L981-A1013 HydrophobicContact CG-CB 4.09Å; L981-L1029 HydrophobicContact CD2-CD2 4.18Å
982M96.3Very high95.5Very high4 Ų447.3 Ų47.32%0.0222%0.219CC..Hα-helixtrans-60.7-41.4176.3-65.1177.7-166.100111.7R978 T979 V985 W986 A1005 C1007 I1016R978-M982 HydrophobicContact CB-SD 4.16Å; R978-M982 HydrophobicContact CG-SD 4.41Å; T979-M982 HydrophobicContact CG2-CE 4.48Å; T979-M982 PolarHBondContact O-N 3.44Å; T979-M982 VanDerWaalsContact O-N 3.12Å; M982-V985 PolarHBondContact O-N 2.9Å; M982-W986 VanDerWaalsContact O-CB 3.31Å; M982-W986 WeakPolarHBondContact O-CB 3.45Å; M982-W986 PolarHBondContact O-N 3.43Å; M982-A1005 HydrophobicContact CE-CB 4.18Å; M982-A1005 WeakPolarHBondContact CE-O 3.46Å; M982-C1007 HydrophobicContact SD-CB 4.08Å; M982-I1016 HydrophobicContact CB-CD1 3.78Å; M982-I1016 HydrophobicContact CG-CD1 3.95Å; M982-I1016 HydrophobicContact SD-CD1 4.35Å
983I95.5Very high95.6Very high11 Ų1146.5 Ų46.56%0.05621%0.213CC..Hα-helixtrans-63.7-47.3175.9-72.1-179.9000110.9H949 W953 T979 A980 L981 V985 W986 R987H949-I983 HydrophobicContact CB-CD1 3.91Å; W953-I983 HydrophobicContact CB-CG2 3.8Å; W953-I983 HydrophobicContact CE3-CG2 4.05Å; T979-I983 PolarHBondContact O-N 3.03Å; T979-I983 VanDerWaalsContact O-N 3.17Å; A980-I983 PolarHBondContact O-N 3.17Å; L981-I983 VanDerWaalsContact C-N 3.3Å; L981-I983 PolarHBondContact O-N 3.02Å; I983-V985 VanDerWaalsContact C-N 3.31Å; I983-V985 PolarHBondContact O-N 3.41Å; I983-W986 PolarHBondContact O-N 3.46Å; I983-R987 HydrophobicContact CG2-CG 4.36Å; I983-R987 VanDerWaalsContact O-CB 3.28Å; I983-R987 WeakPolarHBondContact O-CB 3.27Å; I983-R987 VanDerWaalsContact O-CG 3.22Å; I983-R987 WeakPolarHBondContact O-CG 3.46Å; I983-R987 PolarHBondContact O-N 3.36Å
984A96.4Very high95.7Very high0 Ų049.1 Ų49.10%022%0.215CC..Hα-helixtrans-59.8-42178.100000111.7A980 L981 R987 N988 K989 V992 A993 L996A980-A984 WeakPolarHBondContact O-CB 3.39Å; A980-A984 PolarHBondContact O-N 2.93Å; L981-A984 PolarHBondContact O-N 2.78Å; A984-R987 CarbonylContact O-C 3.49Å; A984-N988 PolarHBondContact O-N 2.79Å; A984-K989 HydrophobicContact CB-CB 4.31Å; A984-K989 PolarHBondContact O-N 3.11Å; A984-V992 HydrophobicContact CB-CB 4.28Å; A984-V992 HydrophobicContact CB-CG1 3.78Å; A984-A993 HydrophobicContact CB-CB 4.11Å; A984-L996 HydrophobicContact CB-CD1 4Å
985V96.3Very high95.8Very high0 Ų049.8 Ų49.80%022%0.219CC..Hα-helixtrans-65.6-49.7176.3169.60000111.4L981 M982 I983 R987 N988 A993 A1013 I1016 A1017 L1025 L1029L981-V985 HydrophobicContact CD1-CG2 4.18Å; L981-V985 WeakPolarHBondContact O-CB 3.37Å; L981-V985 VanDerWaalsContact O-CG2 3.31Å; L981-V985 WeakPolarHBondContact O-CG2 3.42Å; L981-V985 PolarHBondContact O-N 3.14Å; M982-V985 PolarHBondContact O-N 2.9Å; I983-V985 VanDerWaalsContact C-N 3.31Å; I983-V985 PolarHBondContact O-N 3.41Å; V985-R987 PolarHBondContact O-N 3.06Å; V985-N988 PolarHBondContact O-N 3.3Å; V985-A993 HydrophobicContact CG2-CB 4.21Å; V985-A1013 HydrophobicContact CG2-CB 4.39Å; V985-I1016 HydrophobicContact CG1-CB 4.26Å; V985-I1016 HydrophobicContact CG1-CG2 4Å; V985-A1017 HydrophobicContact CG1-CB 3.7Å; V985-L1025 HydrophobicContact CB-CD1 4.48Å; V985-L1025 HydrophobicContact CG1-CD1 4.29Å; V985-L1025 HydrophobicContact CG2-CD2 4.28Å; V985-L1029 HydrophobicContact CG2-CD1 4.19Å
986W94.3Very high96Very high116 Ų11642.1 Ų42.144%0.43919%0.19SC..Hα-helixtrans-59.7-34.4178.9-170.133.1000112.4W953 M982 I983 N988 I1016 E1020W953-W986 HydrophobicContact CH2-CZ3 4.1Å; W953-W986 AromaticContact CZ3-CE3 3.81Å; W953-W986 HydrophobicContact CZ3-CE3 3.81Å; W953-W986 HydrophobicContact CZ3-CH2 4.5Å; W953-W986 AromaticContact CZ3-CZ3 3.63Å; W953-W986 HydrophobicContact CZ3-CZ3 3.63Å; M982-W986 VanDerWaalsContact O-CB 3.31Å; M982-W986 WeakPolarHBondContact O-CB 3.45Å; M982-W986 PolarHBondContact O-N 3.43Å; I983-W986 PolarHBondContact O-N 3.46Å; W986-N988 VanDerWaalsContact C-N 3.32Å; W986-I1016 HydrophobicContact CB-CG2 3.83Å; W986-I1016 HydrophobicContact CG-CG2 4.28Å; W986-E1020 VanDerWaalsContact CD1-OE1 3.22Å; W986-E1020 PolarHBondContact NE1-OE1 3.05Å
987R95.3Very high96.2Very high103 Ų10338 Ų3839%0.38917%0.171SC..THydrogen-bonded Turntrans-88.47.9178-62.4-71.9-71.8161.8-1.8113.9W953 I983 A984 V985 K989W953-R987 HydrophobicContact CD2-CG 4.1Å; W953-R987 HydrophobicContact CE3-CG 3.76Å; W953-R987 HydrophobicContact CZ3-CG 4.09Å; W953-R987 PolarHBondContact O-NE 2.97Å; W953-R987 VanDerWaalsContact O-NE 3.1Å; I983-R987 HydrophobicContact CG2-CG 4.36Å; I983-R987 VanDerWaalsContact O-CB 3.28Å; I983-R987 WeakPolarHBondContact O-CB 3.27Å; I983-R987 VanDerWaalsContact O-CG 3.22Å; I983-R987 WeakPolarHBondContact O-CG 3.46Å; I983-R987 PolarHBondContact O-N 3.36Å; A984-R987 CarbonylContact O-C 3.49Å; V985-R987 PolarHBondContact O-N 3.06Å; R987-K989 VanDerWaalsContact C-N 3.33Å; R987-K989 HydrophobicContact CB-CG 3.86Å; R987-K989 PolarHBondContact O-N 2.91Å
988N95.2Very high96.3Very high82 Ų8239 Ų3944%0.43918%0.177SC..THydrogen-bonded Turntrans51.842.9-178.1-167.624.9000114.4A984 V985 W986 Y990 K1022A984-N988 PolarHBondContact O-N 2.79Å; V985-N988 PolarHBondContact O-N 3.3Å; W986-N988 VanDerWaalsContact C-N 3.32Å; N988-Y990 PolarHBondContact O-N 2.96Å; N988-K1022 HydrophobicContact CB-CD 3.99Å
989K96.4Very high96.3Very high62 Ų6240.7 Ų40.727%0.2719%0.186SC..  trans-96.766-177.6-56.2-58.8-172.8156.30110.9L954 A984 R987 N991 V992 A993L954-K989 VanDerWaalsContact O-CE 3.29Å; L954-K989 WeakPolarHBondContact O-CE 3.43Å; L954-K989 PolarHBondContact O-NZ 3.49Å; A984-K989 HydrophobicContact CB-CB 4.31Å; A984-K989 PolarHBondContact O-N 3.11Å; R987-K989 VanDerWaalsContact C-N 3.33Å; R987-K989 HydrophobicContact CB-CG 3.86Å; R987-K989 PolarHBondContact O-N 2.91Å; K989-N991 VanDerWaalsContact C-N 3.33Å; K989-N991 PolarHBondContact O-N 3.36Å; K989-V992 HydrophobicContact CB-CB 3.96Å; K989-V992 HydrophobicContact CB-CG2 4.29Å; K989-V992 PolarHBondContact O-N 3.07Å; K989-A993 PolarHBondContact O-N 2.79Å
990Y96.1Very high96.1Very high84 Ų8449.1 Ų49.133%0.32922%0.223SC..Hα-helixtrans-44.5-50.5-175.6-179.9-88.2000114.2N988 V992 A993 K994 T1024 L1025 L1028N988-Y990 PolarHBondContact O-N 2.96Å; Y990-V992 VanDerWaalsContact C-N 3.33Å; Y990-V992 PolarHBondContact O-N 2.89Å; Y990-A993 PolarHBondContact O-N 3.09Å; Y990-K994 WeakPolarHBondContact O-CB 3.47Å; Y990-K994 PolarHBondContact O-N 3.07Å; Y990-T1024 WeakPolarHBondContact CE2-O 3.48Å; Y990-L1025 HydrophobicContact CD2-CD2 4.09Å; Y990-L1025 HydrophobicContact CD2-CG 4.39Å; Y990-L1028 HydrophobicContact CD2-CD2 4.14Å; Y990-L1028 HydrophobicContact CE2-CB 3.97Å; Y990-L1028 HydrophobicContact CE2-CD2 3.88Å; Y990-L1028 HydrophobicContact CE2-CG 4.35Å
991N96.9Very high96.1Very high100 Ų10049.3 Ų49.354%0.53522%0.224SC..Hα-helixtrans-63.3-36.9-179.5-65-9.3000112.9L957 K989 V995L957-N991 HydrophobicContact CD1-CB 4.1Å; L957-N991 HydrophobicContact CD2-CB 4.01Å; K989-N991 VanDerWaalsContact C-N 3.33Å; K989-N991 PolarHBondContact O-N 3.36Å; N991-V995 WeakPolarHBondContact O-CG2 3.34Å; N991-V995 PolarHBondContact O-N 2.67Å
992V97.2Very high96Very high2 Ų252.6 Ų52.61%0.01224%0.242CC..Hα-helixtrans-72.6-46.8177.8171.30000110.4L957 V960 A984 K989 Y990 K994 V995 L996L957-V992 HydrophobicContact CB-CG2 4.44Å; L957-V992 HydrophobicContact CD1-CB 4.49Å; L957-V992 HydrophobicContact CD1-CG2 3.83Å; V960-V992 HydrophobicContact CG1-CG1 4.26Å; V960-V992 HydrophobicContact CG2-CG1 3.94Å; V960-V992 HydrophobicContact CG2-CG2 4.28Å; A984-V992 HydrophobicContact CB-CB 4.28Å; A984-V992 HydrophobicContact CB-CG1 3.78Å; K989-V992 HydrophobicContact CB-CB 3.96Å; K989-V992 HydrophobicContact CB-CG2 4.29Å; K989-V992 PolarHBondContact O-N 3.07Å; Y990-V992 VanDerWaalsContact C-N 3.33Å; Y990-V992 PolarHBondContact O-N 2.89Å; V992-K994 PolarHBondContact O-N 3.36Å; V992-V995 PolarHBondContact O-N 2.99Å; V992-V995 VanDerWaalsContact O-N 3.15Å; V992-L996 HydrophobicContact CG1-CD1 3.81Å; V992-L996 HydrophobicContact CG1-CG 4.28Å; V992-L996 VanDerWaalsContact O-CG 3.26Å; V992-L996 WeakPolarHBondContact O-CG 3.31Å; V992-L996 PolarHBondContact O-N 3.19Å
993A96.8Very high95.9Very high0 Ų053 Ų530%025%0.245CC..Hα-helixtrans-56.6-41.317500000111.2L981 A984 V985 K989 Y990 L997 L1025 L1028L981-A993 HydrophobicContact CD1-CB 3.91Å; A984-A993 HydrophobicContact CB-CB 4.11Å; V985-A993 HydrophobicContact CG2-CB 4.21Å; K989-A993 PolarHBondContact O-N 2.79Å; Y990-A993 PolarHBondContact O-N 3.09Å; A993-L997 WeakPolarHBondContact O-CD1 3.34Å; A993-L997 VanDerWaalsContact O-CG 3.27Å; A993-L997 WeakPolarHBondContact O-CG 3.36Å; A993-L997 PolarHBondContact O-N 3.25Å; A993-L1025 HydrophobicContact CB-CD2 3.66Å; A993-L1028 HydrophobicContact CB-CD2 4.34Å
994K96.8Very high95.9Very high86 Ų8655.1 Ų55.137%0.37426%0.256SS..Hα-helixtrans-62.3-51.2173.2-178.9176.4174.6-176.20112.2Y990 V992 L996 L997 D998 L1028Y990-K994 WeakPolarHBondContact O-CB 3.47Å; Y990-K994 PolarHBondContact O-N 3.07Å; V992-K994 PolarHBondContact O-N 3.36Å; K994-L996 VanDerWaalsContact C-N 3.28Å; K994-L996 PolarHBondContact O-N 2.87Å; K994-L997 PolarHBondContact O-N 3.15Å; K994-L997 VanDerWaalsContact O-N 3.13Å; K994-D998 VanDerWaalsContact CE-OD2 3.25Å; K994-D998 WeakPolarHBondContact CE-OD2 3.36Å; K994-D998 WeakPolarHBondContact CG-OD2 3.31Å; K994-D998 PolarHBondContact O-N 3.06Å; K994-L1028 HydrophobicContact CB-CD1 4.26Å; K994-L1028 HydrophobicContact CB-CD2 3.89Å; K994-L1028 HydrophobicContact CG-CD1 4.21Å
995V97Very high95.8Very high22 Ų2256 Ų5613%0.13326%0.263CS..Hα-helixtrans-62.2-35.7-179.6163.50000112L957 V960 E961 L964 N991 V992 D998 H999L957-V995 HydrophobicContact CD1-CB 4.11Å; L957-V995 HydrophobicContact CD1-CG2 3.82Å; V960-V995 HydrophobicContact CG1-CG1 4.32Å; E961-V995 HydrophobicContact CG-CG1 4.01Å; L964-V995 HydrophobicContact CD1-CG1 3.83Å; N991-V995 WeakPolarHBondContact O-CG2 3.34Å; N991-V995 PolarHBondContact O-N 2.67Å; V992-V995 PolarHBondContact O-N 2.99Å; V992-V995 VanDerWaalsContact O-N 3.15Å; V995-D998 PolarHBondContact O-N 2.9Å; V995-H999 WeakPolarHBondContact O-CB 3.17Å; V995-H999 PolarHBondContact O-N 3.41Å; V995-H999 PolarHBondContact O-ND1 3.27Å
996L97.3Very high95.6Very high0 Ų062.3 Ų62.30%029%0.288CS..Hα-helixtrans-63.2-44.7173-67.5166.3000111.5L948 V960 L964 V970 A980 L981 A984 V992 K994 H999 K1000 A1001L948-L996 HydrophobicContact CD1-CD2 4.25Å; L948-L996 HydrophobicContact CD2-CD2 4.15Å; L948-L996 HydrophobicContact CG-CD2 4.41Å; V960-L996 HydrophobicContact CG1-CD2 4.35Å; L964-L996 HydrophobicContact CD1-CD2 4.16Å; L964-L996 HydrophobicContact CD2-CD2 4.33Å; V970-L996 HydrophobicContact CG2-CB 4.19Å; V970-L996 HydrophobicContact CG2-CD2 3.65Å; A980-L996 HydrophobicContact CB-CD1 4.11Å; A980-L996 HydrophobicContact CB-CD2 4.15Å; L981-L996 HydrophobicContact CB-CD1 4.38Å; L981-L996 HydrophobicContact CD1-CB 4.47Å; A984-L996 HydrophobicContact CB-CD1 4Å; V992-L996 HydrophobicContact CG1-CD1 3.81Å; V992-L996 HydrophobicContact CG1-CG 4.28Å; V992-L996 VanDerWaalsContact O-CG 3.26Å; V992-L996 WeakPolarHBondContact O-CG 3.31Å; V992-L996 PolarHBondContact O-N 3.19Å; K994-L996 VanDerWaalsContact C-N 3.28Å; K994-L996 PolarHBondContact O-N 2.87Å; L996-H999 CarbonylContact O-C 3.41Å; L996-H999 WeakPolarHBondContact O-CA 3.31Å; L996-H999 PolarHBondContact O-N 3.45Å; L996-K1000 PolarHBondContact O-N 2.91Å; L996-A1001 HydrophobicContact CB-CB 4.14Å; L996-A1001 WeakPolarHBondContact O-CB 3.36Å; L996-A1001 PolarHBondContact O-N 2.94Å
997L96.5Very high95.6Very high5 Ų557.4 Ų57.43%0.02627%0.271CS..Hα-helixtrans-66.5-40.2175.8-71.2166.5000112.7L981 A993 K994 H999 K1000 P1003 L1028 L1029 F1032L981-L997 HydrophobicContact CD1-CD1 4.31Å; L981-L997 HydrophobicContact CD1-CD2 4.41Å; L981-L997 HydrophobicContact CD1-CG 4.02Å; L981-L997 HydrophobicContact CD2-CD2 3.74Å; L981-L997 HydrophobicContact CD2-CG 4.26Å; A993-L997 WeakPolarHBondContact O-CD1 3.34Å; A993-L997 VanDerWaalsContact O-CG 3.27Å; A993-L997 WeakPolarHBondContact O-CG 3.36Å; A993-L997 PolarHBondContact O-N 3.25Å; K994-L997 PolarHBondContact O-N 3.15Å; K994-L997 VanDerWaalsContact O-N 3.13Å; L997-H999 PolarHBondContact O-N 2.92Å; L997-K1000 WeakPolarHBondContact O-CA 3.43Å; L997-K1000 PolarHBondContact O-N 3.29Å; L997-P1003 HydrophobicContact CD2-CB 4.12Å; L997-L1028 HydrophobicContact CD1-CD2 4.02Å; L997-L1028 HydrophobicContact CD1-CG 3.85Å; L997-L1029 HydrophobicContact CD1-CD2 4.1Å; L997-L1029 HydrophobicContact CD2-CD2 4.44Å; L997-F1032 HydrophobicContact CB-CD1 3.74Å; L997-F1032 HydrophobicContact CB-CD2 4.09Å; L997-F1032 HydrophobicContact CB-CE1 3.78Å; L997-F1032 HydrophobicContact CB-CE2 4.13Å; L997-F1032 HydrophobicContact CB-CG 3.89Å; L997-F1032 HydrophobicContact CB-CZ 3.98Å; L997-F1032 HydrophobicContact CD1-CB 4.37Å; L997-F1032 HydrophobicContact CD1-CD2 4Å; L997-F1032 HydrophobicContact CD1-CG 4.16Å; L997-F1032 HydrophobicContact CD2-CB 3.99Å; L997-F1032 HydrophobicContact CD2-CD1 4.4Å; L997-F1032 HydrophobicContact CD2-CG 4.17Å; L997-F1032 HydrophobicContact CG-CG 4.3Å; L997-F1032 WeakPolarHBondContact O-CE1 3.19Å
998D95.5Very high95.4Very high87 Ų8759.6 Ų59.647%0.46528%0.284SS..Hα-helixtrans-60.5-29.7171.9-73.1-36.1000111.2K994 V995 K1000 F1032K994-D998 VanDerWaalsContact CE-OD2 3.25Å; K994-D998 WeakPolarHBondContact CE-OD2 3.36Å; K994-D998 WeakPolarHBondContact CG-OD2 3.31Å; K994-D998 PolarHBondContact O-N 3.06Å; V995-D998 PolarHBondContact O-N 2.9Å; D998-K1000 VanDerWaalsContact C-N 3.33Å; D998-F1032 WeakPolarHBondContact OD1-CZ 3.3Å
999H95.2Very high95.1Very high84 Ų8460.5 Ų60.539%0.38929%0.285SS..THydrogen-bonded Turntrans-89.914.9172.3-70.276.4000114.1L964 V995 L996 L997L964-H999 HydrophobicContact CD1-CB 4.28Å; L964-H999 HydrophobicContact CD2-CB 4.45Å; V995-H999 WeakPolarHBondContact O-CB 3.17Å; V995-H999 PolarHBondContact O-N 3.41Å; V995-H999 PolarHBondContact O-ND1 3.27Å; L996-H999 CarbonylContact O-C 3.41Å; L996-H999 WeakPolarHBondContact O-CA 3.31Å; L996-H999 PolarHBondContact O-N 3.45Å; L997-H999 PolarHBondContact O-N 2.92Å
1000K93.3Very high94.8Very high182 Ų18257.9 Ų57.979%0.79128%0.276SS*.THydrogen-bonded Turntrans70.330.7175-46176.7-176.8174.10116.7L996 L997 D998 D1002L996-K1000 PolarHBondContact O-N 2.91Å; L997-K1000 WeakPolarHBondContact O-CA 3.43Å; L997-K1000 PolarHBondContact O-N 3.29Å; D998-K1000 VanDerWaalsContact C-N 3.33Å; K1000-D1002 PolarHBondContact O-N 3.41Å
1001A95.9Very high94.6Very high5 Ų554.3 Ų54.34%0.04126%0.263CS..  trans-52.3136.1163.200000110.9V970 D971 L981 L996 P1003V970-A1001 HydrophobicContact CG1-CB 4.42Å; V970-A1001 HydrophobicContact CG2-CB 3.67Å; D971-A1001 WeakPolarHBondContact OD1-CA 3.49Å; L981-A1001 HydrophobicContact CB-CB 4.31Å; L981-A1001 HydrophobicContact CD2-CB 4.07Å; L996-A1001 HydrophobicContact CB-CB 4.14Å; L996-A1001 WeakPolarHBondContact O-CB 3.36Å; L996-A1001 PolarHBondContact O-N 2.94Å; A1001-P1003 VanDerWaalsContact O-CD 3.23Å; A1001-P1003 WeakPolarHBondContact O-CD 3.28Å
1002D95.5Very high94.5Very high69 Ų6949.8 Ų49.837%0.36924%0.24SC..  trans-73113.5175.3-17913.1000110.5D971 K1000 N1004 A1005D971-D1002 PolarHBondContact OD1-N 3.35Å; K1000-D1002 PolarHBondContact O-N 3.41Å; D1002-N1004 PolarHBondContact O-N 2.88Å; D1002-N1004 WeakPolarHBondContact OD1-CA 3.26Å; D1002-N1004 VanDerWaalsContact OD1-CB 3.32Å; D1002-N1004 WeakPolarHBondContact OD1-CB 3.45Å; D1002-N1004 PolarHBondContact OD1-N 3.44Å; D1002-N1004 PolarHBondContact OD1-ND2 3.12Å; D1002-A1005 HydrophobicContact CB-CB 4.3Å; D1002-A1005 PolarHBondContact O-N 2.98Å; D1002-A1005 PolarHBondContact OD2-N 3.25Å
1003P94.3Very high94.4Very high12 Ų1249.8 Ų49.88%0.07824%0.24CC..THydrogen-bonded Turntrans-68.8-14.6176.630.3-35.2000113L997 A1001 L1029 A1034L997-P1003 HydrophobicContact CD2-CB 4.12Å; A1001-P1003 VanDerWaalsContact O-CD 3.23Å; A1001-P1003 WeakPolarHBondContact O-CD 3.28Å; P1003-L1029 HydrophobicContact CB-CD2 4.14Å; P1003-A1034 HydrophobicContact CB-CB 4.01Å
1004N94.7Very high94.4Very high56 Ų5649.9 Ų49.930%0.29924%0.24SC..THydrogen-bonded Turntrans-99.3-2.4-177.1-53.4-62.6000113.5D1002 A1034 D1035D1002-N1004 PolarHBondContact O-N 2.88Å; D1002-N1004 WeakPolarHBondContact OD1-CA 3.26Å; D1002-N1004 VanDerWaalsContact OD1-CB 3.32Å; D1002-N1004 WeakPolarHBondContact OD1-CB 3.45Å; D1002-N1004 PolarHBondContact OD1-N 3.44Å; D1002-N1004 PolarHBondContact OD1-ND2 3.12Å; N1004-A1034 WeakPolarHBondContact OD1-CA 3.28Å; N1004-D1035 PolarHBondContact OD1-N 3.23Å
1005A94.3Very high94.3Very high18 Ų1846 Ų4615%0.14922%0.224CC..  trans-55.1142167.900000110.1T979 M982 D1002 T1012T979-A1005 HydrophobicContact CG2-CB 4.07Å; M982-A1005 HydrophobicContact CE-CB 4.18Å; M982-A1005 WeakPolarHBondContact CE-O 3.46Å; D1002-A1005 HydrophobicContact CB-CB 4.3Å; D1002-A1005 PolarHBondContact O-N 2.98Å; D1002-A1005 PolarHBondContact OD2-N 3.25Å; A1005-T1012 WeakPolarHBondContact O-CA 3.42Å
1006Y93.8Very high94.1Very high134 Ų13446 Ų4653%0.52522%0.223SC..BIsolated β-bridgetrans-132143.6-177.159.4-92.4000112.8N977 S1011N977-Y1006 PolarHBondContact ND2-O 3.22Å; Y1006-S1011 VanDerWaalsContact CA-O 3.26Å; Y1006-S1011 WeakPolarHBondContact CA-O 3.31Å
1007C93.1Very high94Very high12 Ų1246 Ų468%0.08122%0.223CC..  trans-77.4175.217673.20000111.8E976 N977 R978 M982 E1009 G1010 S1011E976-C1007 WeakPolarHBondContact O-CA 3.45Å; E976-C1007 WeakPolarHBondContact O-CB 3.19Å; N977-C1007 WeakPolarHBondContact O-CA 3.47Å; R978-C1007 HydrophobicContact CG-CB 4.02Å; M982-C1007 HydrophobicContact SD-CB 4.08Å; C1007-E1009 PolarHBondContact O-N 3.36Å; C1007-E1009 VanDerWaalsContact O-N 3.14Å; C1007-E1009 PolarHBondContact SG-N 2.98Å; C1007-G1010 WeakPolarHBondContact O-CA 3.42Å; C1007-G1010 PolarHBondContact O-N 3.17Å; C1007-S1011 PolarHBondContact N-O 3.15Å
1008F91.2Very high94Very high150 Ų15045.8 Ų45.866%0.65822%0.222SC*.THydrogen-bonded Turntrans-64-15.7178-65-28.6000115R975 E976 N977 G1010R975-F1008 VanDerWaalsContact O-CE2 3.3Å; R975-F1008 WeakPolarHBondContact O-CE2 3.41Å; E976-F1008 PolarHBondContact O-N 3.28Å; N977-F1008 HydrophobicContact CB-CD1 3.76Å; N977-F1008 HydrophobicContact CB-CE1 3.58Å; N977-F1008 HydrophobicContact CB-CE2 4.49Å; N977-F1008 HydrophobicContact CB-CG 4.29Å; N977-F1008 HydrophobicContact CB-CZ 3.98Å; F1008-G1010 VanDerWaalsContact C-N 3.25Å
1009E88.4Confident93.9Very high100 Ų10045.4 Ų45.447%0.46722%0.217SC..THydrogen-bonded Turntrans-82.80.5169.1-61-170.1153.600112.8C1007 S1011 S1041 R1221C1007-E1009 PolarHBondContact O-N 3.36Å; C1007-E1009 VanDerWaalsContact O-N 3.14Å; C1007-E1009 PolarHBondContact SG-N 2.98Å; E1009-S1011 VanDerWaalsContact C-N 3.32Å; E1009-S1041 WeakPolarHBondContact O-CB 3.41Å; E1009-S1041 PolarHBondContact O-N 3.37Å; E1009-S1041 PolarHBondContact O-OG 3.17Å; E1009-R1221 IonicContact OE1-NH2 3.53Å; E1009-R1221 PolarHBondContact OE1-NH2 3.18Å
1010G90.5Very high93.8Very high7 Ų742.4 Ų42.47%0.07220%0.203CC..SBendtrans82.11.7-179.300000114.7C1007 F1008 H1038C1007-G1010 WeakPolarHBondContact O-CA 3.42Å; C1007-G1010 PolarHBondContact O-N 3.17Å; F1008-G1010 VanDerWaalsContact C-N 3.25Å; G1010-H1038 PolarHBondContact O-NE2 2.9Å
1011S92.3Very high93.8Very high9 Ų934.4 Ų34.46%0.06317%0.173CC..  trans-80.5134.6-178.6-75.50000112.8Y1006 C1007 E1009 S1015Y1006-S1011 VanDerWaalsContact CA-O 3.26Å; Y1006-S1011 WeakPolarHBondContact CA-O 3.31Å; C1007-S1011 PolarHBondContact N-O 3.15Å; E1009-S1011 VanDerWaalsContact C-N 3.32Å; S1011-S1015 VanDerWaalsContact CA-OG 3.28Å; S1011-S1015 WeakPolarHBondContact CA-OG 3.44Å; S1011-S1015 WeakPolarHBondContact CB-OG 3.45Å; S1011-S1015 PolarHBondContact OG-OG 2.78Å
1012T95.4Very high93.7Very high6 Ų636.4 Ų36.44%0.03718%0.18CC..BIsolated β-bridgetrans-94.5174.1172.558.10000111.2A1005 L1014 S1015 I1016 H1038A1005-T1012 WeakPolarHBondContact O-CA 3.42Å; T1012-L1014 PolarHBondContact O-N 3.12Å; T1012-L1014 PolarHBondContact OG1-N 3.49Å; T1012-S1015 PolarHBondContact N-OG 2.94Å; T1012-S1015 VanDerWaalsContact N-OG 3.08Å; T1012-S1015 PolarHBondContact O-N 2.88Å; T1012-S1015 PolarHBondContact O-OG 2.88Å; T1012-S1015 PolarHBondContact OG1-N 3.27Å; T1012-I1016 WeakPolarHBondContact O-CG1 3.25Å; T1012-I1016 PolarHBondContact O-N 2.93Å; T1012-H1038 WeakPolarHBondContact CG2-CD2 3.26Å
1013A95.4Very high93.5Very high2 Ų237 Ų372%0.01718%0.183CC..Hα-helixtrans-54.6-36.7169.500000112.3L981 V985 I1016 A1017 L1029L981-A1013 HydrophobicContact CD2-CB 4.06Å; L981-A1013 HydrophobicContact CG-CB 4.09Å; V985-A1013 HydrophobicContact CG2-CB 4.39Å; A1013-I1016 PolarHBondContact O-N 2.79Å; A1013-A1017 WeakPolarHBondContact O-CB 3.4Å; A1013-A1017 PolarHBondContact O-N 3.29Å; A1013-L1029 HydrophobicContact CB-CD1 3.97Å; A1013-L1029 HydrophobicContact CB-CD2 3.72Å; A1013-L1029 WeakPolarHBondContact O-CD1 3.38Å
1014L95.9Very high93.6Very high1 Ų139.7 Ų39.71%0.00520%0.2CC..Hα-helixtrans-68.8-41.8179.8-17562.9000112.7T1012 I1016 A1017 A1018 V1026 L1029 L1030 A1034 A1046 L1062T1012-L1014 PolarHBondContact O-N 3.12Å; T1012-L1014 PolarHBondContact OG1-N 3.49Å; L1014-I1016 VanDerWaalsContact C-N 3.33Å; L1014-I1016 PolarHBondContact O-N 2.93Å; L1014-A1017 PolarHBondContact O-N 3.04Å; L1014-A1018 WeakPolarHBondContact O-CB 3.49Å; L1014-A1018 PolarHBondContact O-N 3.27Å; L1014-V1026 HydrophobicContact CD1-CB 4.5Å; L1014-V1026 HydrophobicContact CD1-CG1 4.04Å; L1014-V1026 HydrophobicContact CD1-CG2 4.46Å; L1014-L1029 HydrophobicContact CD1-CB 4.3Å; L1014-L1030 HydrophobicContact CD1-CD2 4.46Å; L1014-L1030 HydrophobicContact CD1-CG 4.4Å; L1014-L1030 HydrophobicContact CD2-CD2 4.33Å; L1014-A1034 HydrophobicContact CB-CB 4.22Å; L1014-A1034 HydrophobicContact CD2-CB 4.1Å; L1014-A1046 HydrophobicContact CD2-CB 4.32Å; L1014-A1046 HydrophobicContact CG-CB 4.07Å; L1014-L1062 HydrophobicContact CD1-CD2 4.42Å
1015S93.9Very high93.6Very high5 Ų537 Ų374%0.03519%0.186CC..Hα-helixtrans-68.6-32.8177.468.30000112.3S1011 T1012 A1018 Q1019S1011-S1015 VanDerWaalsContact CA-OG 3.28Å; S1011-S1015 WeakPolarHBondContact CA-OG 3.44Å; S1011-S1015 WeakPolarHBondContact CB-OG 3.45Å; S1011-S1015 PolarHBondContact OG-OG 2.78Å; T1012-S1015 PolarHBondContact N-OG 2.94Å; T1012-S1015 VanDerWaalsContact N-OG 3.08Å; T1012-S1015 PolarHBondContact O-N 2.88Å; T1012-S1015 PolarHBondContact O-OG 2.88Å; T1012-S1015 PolarHBondContact OG1-N 3.27Å; S1015-A1018 PolarHBondContact O-N 2.97Å; S1015-Q1019 VanDerWaalsContact O-CB 3.31Å; S1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; S1015-Q1019 PolarHBondContact O-N 3.36Å
1016I93.9Very high93.7Very high22 Ų2236.2 Ų36.211%0.11318%0.179CC..Hα-helixtrans-66.9-45.1172.9-62.4167.3000110.7M982 V985 W986 T1012 A1013 L1014 A1018 Q1019 E1020M982-I1016 HydrophobicContact CB-CD1 3.78Å; M982-I1016 HydrophobicContact CG-CD1 3.95Å; M982-I1016 HydrophobicContact SD-CD1 4.35Å; V985-I1016 HydrophobicContact CG1-CB 4.26Å; V985-I1016 HydrophobicContact CG1-CG2 4Å; W986-I1016 HydrophobicContact CB-CG2 3.83Å; W986-I1016 HydrophobicContact CG-CG2 4.28Å; T1012-I1016 WeakPolarHBondContact O-CG1 3.25Å; T1012-I1016 PolarHBondContact O-N 2.93Å; A1013-I1016 PolarHBondContact O-N 2.79Å; L1014-I1016 VanDerWaalsContact C-N 3.33Å; L1014-I1016 PolarHBondContact O-N 2.93Å; I1016-A1018 VanDerWaalsContact C-N 3.29Å; I1016-A1018 PolarHBondContact O-N 3.17Å; I1016-Q1019 PolarHBondContact O-N 2.94Å; I1016-E1020 HydrophobicContact CG2-CG 4.42Å; I1016-E1020 WeakPolarHBondContact O-CB 3.36Å; I1016-E1020 WeakPolarHBondContact O-CG 3.23Å; I1016-E1020 PolarHBondContact O-N 2.88Å
1017A95.7Very high93.7Very high0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-61.7-37.2176.800000112.4V985 A1013 L1014 G1021 K1022 L1025 V1026 L1029V985-A1017 HydrophobicContact CG1-CB 3.7Å; A1013-A1017 WeakPolarHBondContact O-CB 3.4Å; A1013-A1017 PolarHBondContact O-N 3.29Å; L1014-A1017 PolarHBondContact O-N 3.04Å; A1017-G1021 PolarHBondContact O-N 2.87Å; A1017-K1022 HydrophobicContact CB-CB 4.5Å; A1017-K1022 PolarHBondContact O-N 3.28Å; A1017-L1025 HydrophobicContact CB-CB 4.22Å; A1017-V1026 HydrophobicContact CB-CG2 3.64Å; A1017-L1029 HydrophobicContact CB-CD1 3.9Å
1018A94.8Very high93.8Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-68.9-43.1174.200000112.8L1014 S1015 I1016 G1021 A1046 A1050 H1055 I1058 L1062L1014-A1018 WeakPolarHBondContact O-CB 3.49Å; L1014-A1018 PolarHBondContact O-N 3.27Å; S1015-A1018 PolarHBondContact O-N 2.97Å; I1016-A1018 VanDerWaalsContact C-N 3.29Å; I1016-A1018 PolarHBondContact O-N 3.17Å; A1018-G1021 PolarHBondContact O-N 3.29Å; A1018-A1046 HydrophobicContact CB-CB 4.19Å; A1018-A1046 WeakPolarHBondContact CB-O 3.46Å; A1018-A1050 HydrophobicContact CB-CB 4.13Å; A1018-H1055 PolarHBondContact O-CD2 2.98Å; A1018-I1058 HydrophobicContact CB-CG2 4.41Å; A1018-L1062 HydrophobicContact CB-CD1 4.39Å
1019Q93.6Very high94Very high80 Ų8026.9 Ų26.937%0.37414%0.141SC..Hα-helixtrans-66.7-34.5178.1-168.7176.7-10.900113.1S1015 I1016 I1049S1015-Q1019 VanDerWaalsContact O-CB 3.31Å; S1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; S1015-Q1019 PolarHBondContact O-N 3.36Å; I1016-Q1019 PolarHBondContact O-N 2.94Å; Q1019-I1049 HydrophobicContact CB-CG2 3.55Å; Q1019-I1049 HydrophobicContact CG-CG2 3.98Å
1020E94Very high94.2Very high21 Ų2123.9 Ų23.910%0.09813%0.128CC..Hα-helixtrans-85.8-11.4-178.9-72.5-63156.600113.7W986 I1016 K1022 R1222W986-E1020 VanDerWaalsContact CD1-OE1 3.22Å; W986-E1020 PolarHBondContact NE1-OE1 3.05Å; I1016-E1020 HydrophobicContact CG2-CG 4.42Å; I1016-E1020 WeakPolarHBondContact O-CB 3.36Å; I1016-E1020 WeakPolarHBondContact O-CG 3.23Å; I1016-E1020 PolarHBondContact O-N 2.88Å; E1020-K1022 HydrophobicContact CB-CG 3.65Å; E1020-K1022 PolarHBondContact O-NZ 3.47Å; E1020-R1222 IonicContact OE1-CZ 3.81Å; E1020-R1222 IonicContact OE1-NH1 2.71Å; E1020-R1222 PolarHBondContact OE1-NH1 3.48Å; E1020-R1222 IonicContact OE1-NH2 3.62Å; E1020-R1222 PolarHBondContact OE1-NH2 3.3Å; E1020-R1222 IonicContact OE2-CZ 2.84Å; E1020-R1222 IonicContact OE2-NH1 2.74Å; E1020-R1222 PolarHBondContact OE2-NH1 2.99Å; E1020-R1222 IonicContact OE2-NH2 3.12Å; E1020-R1222 PolarHBondContact OE2-NH2 3.46Å
1021G93Very high94.3Very high14 Ų1430.1 Ų30.114%0.14416%0.155CC..THydrogen-bonded Turntrans70.465.9-175.600000111.5A1017 A1018 H1055A1017-G1021 PolarHBondContact O-N 2.87Å; A1018-G1021 PolarHBondContact O-N 3.29Å; G1021-H1055 WeakPolarHBondContact CA-CD2 3.06Å; G1021-H1055 WeakPolarHBondContact CA-NE2 3.35Å; G1021-H1055 PolarHBondContact N-CD2 3.35Å; G1021-H1055 VanDerWaalsContact N-CD2 3.28Å; G1021-H1055 PolarHBondContact N-NE2 3.48Å
1022K93.3Very high94.4Very high47 Ų4733 Ų3320%0.20417%0.166CC..  trans-132.262.4-170.5-58.4-70.4163.2-77.50111.7N988 A1017 E1020 T1024 L1025 V1026N988-K1022 HydrophobicContact CB-CD 3.99Å; A1017-K1022 HydrophobicContact CB-CB 4.5Å; A1017-K1022 PolarHBondContact O-N 3.28Å; E1020-K1022 HydrophobicContact CB-CG 3.65Å; E1020-K1022 PolarHBondContact O-NZ 3.47Å; K1022-T1024 VanDerWaalsContact C-N 3.27Å; K1022-T1024 PolarHBondContact O-N 3.14Å; K1022-T1024 VanDerWaalsContact O-N 3.15Å; K1022-L1025 HydrophobicContact CB-CB 4.03Å; K1022-L1025 HydrophobicContact CB-CD1 4.08Å; K1022-L1025 HydrophobicContact CG-CD1 4.46Å; K1022-L1025 CarbonylContact O-C 3.56Å; K1022-L1025 WeakPolarHBondContact O-CA 3.42Å; K1022-L1025 WeakPolarHBondContact O-CB 3.39Å; K1022-L1025 PolarHBondContact O-N 3.35Å; K1022-V1026 PolarHBondContact O-N 3.32Å
1023D92.9Very high94.1Very high80 Ų8037.1 Ų37.143%0.42820%0.196SC..Hα-helixtrans-47.1-41.6-176.65.2-64.7000113.9V1026 Q1027 I1058D1023-V1026 PolarHBondContact O-N 3.18Å; D1023-Q1027 WeakPolarHBondContact O-CB 3.32Å; D1023-Q1027 VanDerWaalsContact O-CG 3.28Å; D1023-Q1027 WeakPolarHBondContact O-CG 3.5Å; D1023-Q1027 PolarHBondContact O-N 3.41Å; D1023-I1058 HydrophobicContact CB-CD1 4.41Å; D1023-I1058 HydrophobicContact CB-CG1 4.32Å; D1023-I1058 WeakPolarHBondContact OD1-CD1 3.37Å
1024T94.9Very high93.9Very high70 Ų7037.4 Ų37.443%0.42920%0.198SC..Hα-helixtrans-68.1-33.2176.355.20000113.7Y990 K1022 L1028Y990-T1024 WeakPolarHBondContact CE2-O 3.48Å; K1022-T1024 VanDerWaalsContact C-N 3.27Å; K1022-T1024 PolarHBondContact O-N 3.14Å; K1022-T1024 VanDerWaalsContact O-N 3.15Å; T1024-L1028 WeakPolarHBondContact O-CB 3.44Å; T1024-L1028 PolarHBondContact O-N 2.89Å; T1024-L1028 VanDerWaalsContact O-N 3.07Å
1025L96Very high93.7Very high0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-77-35.4173.1-78.2169.5000111.7V985 Y990 A993 A1017 K1022 L1028 L1029V985-L1025 HydrophobicContact CB-CD1 4.48Å; V985-L1025 HydrophobicContact CG1-CD1 4.29Å; V985-L1025 HydrophobicContact CG2-CD2 4.28Å; Y990-L1025 HydrophobicContact CD2-CD2 4.09Å; Y990-L1025 HydrophobicContact CD2-CG 4.39Å; A993-L1025 HydrophobicContact CB-CD2 3.66Å; A1017-L1025 HydrophobicContact CB-CB 4.22Å; K1022-L1025 HydrophobicContact CB-CB 4.03Å; K1022-L1025 HydrophobicContact CB-CD1 4.08Å; K1022-L1025 HydrophobicContact CG-CD1 4.46Å; K1022-L1025 CarbonylContact O-C 3.56Å; K1022-L1025 WeakPolarHBondContact O-CA 3.42Å; K1022-L1025 WeakPolarHBondContact O-CB 3.39Å; K1022-L1025 PolarHBondContact O-N 3.35Å; L1025-L1028 HydrophobicContact CD2-CD2 4.11Å; L1025-L1028 PolarHBondContact O-N 3.35Å; L1025-L1029 WeakPolarHBondContact O-CB 3.33Å; L1025-L1029 WeakPolarHBondContact O-CD1 3.37Å; L1025-L1029 VanDerWaalsContact O-CG 3.25Å; L1025-L1029 WeakPolarHBondContact O-CG 3.48Å; L1025-L1029 PolarHBondContact O-N 2.95Å
1026V95Very high93.6Very high0 Ų042.1 Ų42.10%022%0.223CC..Hα-helixtrans-59.5-51.4170.4171.50000109.8L1014 A1017 K1022 D1023 L1028 L1029 L1030 I1058 L1062L1014-V1026 HydrophobicContact CD1-CB 4.5Å; L1014-V1026 HydrophobicContact CD1-CG1 4.04Å; L1014-V1026 HydrophobicContact CD1-CG2 4.46Å; A1017-V1026 HydrophobicContact CB-CG2 3.64Å; K1022-V1026 PolarHBondContact O-N 3.32Å; D1023-V1026 PolarHBondContact O-N 3.18Å; V1026-L1028 VanDerWaalsContact C-N 3.32Å; V1026-L1028 PolarHBondContact O-N 3Å; V1026-L1029 PolarHBondContact O-N 3.23Å; V1026-L1030 HydrophobicContact CG1-CD1 3.7Å; V1026-L1030 HydrophobicContact CG1-CG 4.39Å; V1026-L1030 WeakPolarHBondContact O-CB 3.43Å; V1026-L1030 WeakPolarHBondContact O-CD1 3.26Å; V1026-L1030 WeakPolarHBondContact O-CG 3.48Å; V1026-L1030 PolarHBondContact O-N 3.17Å; V1026-I1058 HydrophobicContact CG1-CG2 4.27Å; V1026-I1058 HydrophobicContact CG2-CD1 4.43Å; V1026-I1058 HydrophobicContact CG2-CG2 3.96Å; V1026-L1062 HydrophobicContact CG1-CD2 4.12Å
1027Q94Very high93.3Very high97 Ų9742.7 Ų42.745%0.45323%0.234SC..Hα-helixtrans-58.7-40.6176.4-72.2172.616.900112.6D1023 Q1031D1023-Q1027 WeakPolarHBondContact O-CB 3.32Å; D1023-Q1027 VanDerWaalsContact O-CG 3.28Å; D1023-Q1027 WeakPolarHBondContact O-CG 3.5Å; D1023-Q1027 PolarHBondContact O-N 3.41Å; Q1027-Q1031 VanDerWaalsContact O-CG 3.26Å; Q1027-Q1031 WeakPolarHBondContact O-CG 3.31Å; Q1027-Q1031 PolarHBondContact O-N 3.04Å
1028L95.8Very high93.1Very high3 Ų345.2 Ų45.22%0.01625%0.245CC..Hα-helixtrans-64.1-48.1175.9179.368.3000112Y990 A993 K994 L997 T1024 L1025 V1026 L1030 Q1031 F1032Y990-L1028 HydrophobicContact CD2-CD2 4.14Å; Y990-L1028 HydrophobicContact CE2-CB 3.97Å; Y990-L1028 HydrophobicContact CE2-CD2 3.88Å; Y990-L1028 HydrophobicContact CE2-CG 4.35Å; A993-L1028 HydrophobicContact CB-CD2 4.34Å; K994-L1028 HydrophobicContact CB-CD1 4.26Å; K994-L1028 HydrophobicContact CB-CD2 3.89Å; K994-L1028 HydrophobicContact CG-CD1 4.21Å; L997-L1028 HydrophobicContact CD1-CD2 4.02Å; L997-L1028 HydrophobicContact CD1-CG 3.85Å; T1024-L1028 WeakPolarHBondContact O-CB 3.44Å; T1024-L1028 PolarHBondContact O-N 2.89Å; T1024-L1028 VanDerWaalsContact O-N 3.07Å; L1025-L1028 HydrophobicContact CD2-CD2 4.11Å; L1025-L1028 PolarHBondContact O-N 3.35Å; V1026-L1028 VanDerWaalsContact C-N 3.32Å; V1026-L1028 PolarHBondContact O-N 3Å; L1028-L1030 VanDerWaalsContact C-N 3.31Å; L1028-L1030 PolarHBondContact O-N 3.39Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.32Å; L1028-Q1031 PolarHBondContact O-N 2.69Å; L1028-Q1031 VanDerWaalsContact O-N 3.17Å; L1028-F1032 HydrophobicContact CD1-CD2 4.14Å; L1028-F1032 HydrophobicContact CD1-CE2 3.89Å; L1028-F1032 WeakPolarHBondContact O-CD2 3.48Å; L1028-F1032 PolarHBondContact O-N 3.44Å
1029L95.4Very high92.9Very high1 Ų151.6 Ų51.61%0.00527%0.27CS..Hα-helixtrans-63-38.8179.6-72.4163.7000111.7L981 V985 L997 P1003 A1013 L1014 A1017 L1025 V1026 F1032 S1033 A1034L981-L1029 HydrophobicContact CD2-CD2 4.18Å; V985-L1029 HydrophobicContact CG2-CD1 4.19Å; L997-L1029 HydrophobicContact CD1-CD2 4.1Å; L997-L1029 HydrophobicContact CD2-CD2 4.44Å; P1003-L1029 HydrophobicContact CB-CD2 4.14Å; A1013-L1029 HydrophobicContact CB-CD1 3.97Å; A1013-L1029 HydrophobicContact CB-CD2 3.72Å; A1013-L1029 WeakPolarHBondContact O-CD1 3.38Å; L1014-L1029 HydrophobicContact CD1-CB 4.3Å; A1017-L1029 HydrophobicContact CB-CD1 3.9Å; L1025-L1029 WeakPolarHBondContact O-CB 3.33Å; L1025-L1029 WeakPolarHBondContact O-CD1 3.37Å; L1025-L1029 VanDerWaalsContact O-CG 3.25Å; L1025-L1029 WeakPolarHBondContact O-CG 3.48Å; L1025-L1029 PolarHBondContact O-N 2.95Å; V1026-L1029 PolarHBondContact O-N 3.23Å; L1029-F1032 CarbonylContact O-C 3.57Å; L1029-F1032 PolarHBondContact O-N 2.84Å; L1029-S1033 PolarHBondContact O-N 3.01Å; L1029-A1034 HydrophobicContact CB-CB 3.97Å; L1029-A1034 VanDerWaalsContact O-CB 3.26Å; L1029-A1034 WeakPolarHBondContact O-CB 3.45Å; L1029-A1034 PolarHBondContact O-N 3.27Å
1030L92.7Very high92.6Very high37 Ų3748.3 Ų48.319%0.19426%0.255CS..Hα-helixtrans-64.9-37.6174.1-67.1167.6000112.4L1014 V1026 L1028 F1032 S1033 I1036 L1062 L1065L1014-L1030 HydrophobicContact CD1-CD2 4.46Å; L1014-L1030 HydrophobicContact CD1-CG 4.4Å; L1014-L1030 HydrophobicContact CD2-CD2 4.33Å; V1026-L1030 HydrophobicContact CG1-CD1 3.7Å; V1026-L1030 HydrophobicContact CG1-CG 4.39Å; V1026-L1030 WeakPolarHBondContact O-CB 3.43Å; V1026-L1030 WeakPolarHBondContact O-CD1 3.26Å; V1026-L1030 WeakPolarHBondContact O-CG 3.48Å; V1026-L1030 PolarHBondContact O-N 3.17Å; L1028-L1030 VanDerWaalsContact C-N 3.31Å; L1028-L1030 PolarHBondContact O-N 3.39Å; L1030-F1032 PolarHBondContact O-N 2.89Å; L1030-S1033 PolarHBondContact O-N 2.83Å; L1030-S1033 VanDerWaalsContact O-N 3.14Å; L1030-I1036 HydrophobicContact CD2-CD1 3.79Å; L1030-I1036 HydrophobicContact CD2-CG1 3.6Å; L1030-L1062 HydrophobicContact CD1-CD2 4.11Å; L1030-L1062 HydrophobicContact CD2-CD2 4.23Å; L1030-L1065 HydrophobicContact CD1-CD1 3.73Å
1031Q92.8Very high92.5Very high137 Ų13751.5 Ų51.564%0.6428%0.279SS*.Hα-helixtrans-61.7-29.6173.2-74.5166.613.600112.6Q1027 L1028Q1027-Q1031 VanDerWaalsContact O-CG 3.26Å; Q1027-Q1031 WeakPolarHBondContact O-CG 3.31Å; Q1027-Q1031 PolarHBondContact O-N 3.04Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.32Å; L1028-Q1031 PolarHBondContact O-N 2.69Å; L1028-Q1031 VanDerWaalsContact O-N 3.17Å
1032F93.9Very high92.2Very high69 Ų6957.4 Ų57.430%0.30330%0.303SS..THydrogen-bonded Turntrans-94.416.7176.7-78.4-96.9000113.8L997 D998 L1028 L1029 L1030L997-F1032 HydrophobicContact CB-CD1 3.74Å; L997-F1032 HydrophobicContact CB-CD2 4.09Å; L997-F1032 HydrophobicContact CB-CE1 3.78Å; L997-F1032 HydrophobicContact CB-CE2 4.13Å; L997-F1032 HydrophobicContact CB-CG 3.89Å; L997-F1032 HydrophobicContact CB-CZ 3.98Å; L997-F1032 HydrophobicContact CD1-CB 4.37Å; L997-F1032 HydrophobicContact CD1-CD2 4Å; L997-F1032 HydrophobicContact CD1-CG 4.16Å; L997-F1032 HydrophobicContact CD2-CB 3.99Å; L997-F1032 HydrophobicContact CD2-CD1 4.4Å; L997-F1032 HydrophobicContact CD2-CG 4.17Å; L997-F1032 HydrophobicContact CG-CG 4.3Å; L997-F1032 WeakPolarHBondContact O-CE1 3.19Å; D998-F1032 WeakPolarHBondContact OD1-CZ 3.3Å; L1028-F1032 HydrophobicContact CD1-CD2 4.14Å; L1028-F1032 HydrophobicContact CD1-CE2 3.89Å; L1028-F1032 WeakPolarHBondContact O-CD2 3.48Å; L1028-F1032 PolarHBondContact O-N 3.44Å; L1029-F1032 CarbonylContact O-C 3.57Å; L1029-F1032 PolarHBondContact O-N 2.84Å; L1030-F1032 PolarHBondContact O-N 2.89Å
1033S89.5Confident91.9Very high94 Ų9456.9 Ų56.966%0.65731%0.31SS*.THydrogen-bonded Turntrans65.341.7176.8-44.90000115.2L1029 L1030L1029-S1033 PolarHBondContact O-N 3.01Å; L1030-S1033 PolarHBondContact O-N 2.83Å; L1030-S1033 VanDerWaalsContact O-N 3.14Å
1034A91.9Very high91.8Very high8 Ų856.8 Ų56.87%0.06630%0.304CS..  trans-62.4132.9162.900000111.5P1003 N1004 L1014 L1029 I1036P1003-A1034 HydrophobicContact CB-CB 4.01Å; N1004-A1034 WeakPolarHBondContact OD1-CA 3.28Å; L1014-A1034 HydrophobicContact CB-CB 4.22Å; L1014-A1034 HydrophobicContact CD2-CB 4.1Å; L1029-A1034 HydrophobicContact CB-CB 3.97Å; L1029-A1034 VanDerWaalsContact O-CB 3.26Å; L1029-A1034 WeakPolarHBondContact O-CB 3.45Å; L1029-A1034 PolarHBondContact O-N 3.27Å; A1034-I1036 PolarHBondContact O-N 3.4Å
1035D91.5Very high91.7Very high86 Ų8654.1 Ų54.146%0.4629%0.287SS..  trans-74.4116.9179.5-176.419.1000111.9N1004 G1037 H1038N1004-D1035 PolarHBondContact OD1-N 3.23Å; D1035-G1037 VanDerWaalsContact C-N 3.29Å; D1035-G1037 WeakPolarHBondContact OD1-CA 3.4Å; D1035-G1037 PolarHBondContact OD1-N 2.98Å; D1035-H1038 HydrophobicContact CB-CB 4.45Å; D1035-H1038 PolarHBondContact OD2-N 2.72Å
1036I91.1Very high91.5Very high19 Ų1954.5 Ų54.510%0.09729%0.29CS..THydrogen-bonded Turntrans-70.9-27.8175.2-51.6173.3000110.8L1030 A1034 L1062 L1065 Q1066L1030-I1036 HydrophobicContact CD2-CD1 3.79Å; L1030-I1036 HydrophobicContact CD2-CG1 3.6Å; A1034-I1036 PolarHBondContact O-N 3.4Å; I1036-L1062 HydrophobicContact CG2-CB 4.49Å; I1036-L1062 HydrophobicContact CG2-CD2 4.32Å; I1036-L1065 HydrophobicContact CD1-CB 3.77Å; I1036-Q1066 HydrophobicContact CG2-CB 4.11Å
1037G87.2Confident91.4Very high33 Ų3354.6 Ų54.634%0.3429%0.291SS..THydrogen-bonded Turntrans-81-10.6-176.300000115.3D1035 L1045D1035-G1037 VanDerWaalsContact C-N 3.29Å; D1035-G1037 WeakPolarHBondContact OD1-CA 3.4Å; D1035-G1037 PolarHBondContact OD1-N 2.98Å; G1037-L1045 WeakPolarHBondContact O-CD2 3.49Å
1038H90.7Very high91.3Very high53 Ų5352.9 Ų52.925%0.24529%0.285CS..  trans-63.9141.7179.8-179.272.9000112G1010 T1012 D1035G1010-H1038 PolarHBondContact O-NE2 2.9Å; T1012-H1038 WeakPolarHBondContact CG2-CD2 3.26Å; D1035-H1038 HydrophobicContact CB-CB 4.45Å; D1035-H1038 PolarHBondContact OD2-N 2.72Å
1039R91Very high91.1Very high135 Ų13552.8 Ų52.851%0.50929%0.285SS..  trans-120.7136.9-178.6-69.9179.1-177.5-90.9-4.2111.2G1043 R1044 L1045R1039-G1043 WeakPolarHBondContact CD-O 3.48Å; R1039-G1043 PolarHBondContact NH1-O 2.88Å; R1039-R1044 VanDerWaalsContact CA-O 3.32Å; R1039-R1044 WeakPolarHBondContact CA-O 3.43Å; R1039-L1045 HydrophobicContact CG-CD2 3.71Å; R1039-L1045 HydrophobicContact CG-CG 4.24Å
1040D89Confident91Very high11 Ų1152.8 Ų52.86%0.05928%0.284CS..  trans-70177.7175.686.1-29000112.6H1042 G1043 R1044 I1049D1040-H1042 PolarHBondContact O-N 3Å; D1040-H1042 WeakPolarHBondContact OD1-CA 3.41Å; D1040-H1042 WeakPolarHBondContact OD1-CB 3.32Å; D1040-H1042 PolarHBondContact OD1-N 3.42Å; D1040-H1042 IonicContact OD1-ND1 3.98Å; D1040-H1042 IonicContact OD2-CE1 3.93Å; D1040-H1042 IonicContact OD2-CG 3.62Å; D1040-H1042 IonicContact OD2-ND1 2.84Å; D1040-H1042 PolarHBondContact OD2-ND1 3.35Å; D1040-G1043 PolarHBondContact O-N 3.39Å; D1040-G1043 PolarHBondContact OD1-N 2.83Å; D1040-G1043 VanDerWaalsContact OD1-N 3.08Å; D1040-R1044 PolarHBondContact N-O 2.7Å; D1040-R1044 WeakPolarHBondContact OD1-CB 3.26Å; D1040-R1044 PolarHBondContact OD1-N 3.01Å; D1040-R1044 IonicContact OD1-NE 3.48Å; D1040-R1044 IonicContact OD2-CZ 3.63Å; D1040-R1044 VanDerWaalsContact OD2-CZ 3.24Å; D1040-R1044 IonicContact OD2-NE 2.79Å; D1040-R1044 PolarHBondContact OD2-NE 2.7Å; D1040-R1044 IonicContact OD2-NH2 2.68Å; D1040-R1044 PolarHBondContact OD2-NH2 3.02Å; D1040-I1049 HydrophobicContact CB-CD1 4.49Å
1041S89.9Confident91Very high88 Ų8855.6 Ų55.662%0.61529%0.293SS*.THydrogen-bonded Turntrans-64.3-5.1177.8-64.90000114.7E1009E1009-S1041 WeakPolarHBondContact O-CB 3.41Å; E1009-S1041 PolarHBondContact O-N 3.37Å; E1009-S1041 PolarHBondContact O-OG 3.17Å
1042H88.4Confident91Very high138 Ų13854.8 Ų54.864%0.63929%0.292SS*.THydrogen-bonded Turntrans-103.62.6172.2-49.687.9000112.4D1040 R1044D1040-H1042 PolarHBondContact O-N 3Å; D1040-H1042 WeakPolarHBondContact OD1-CA 3.41Å; D1040-H1042 WeakPolarHBondContact OD1-CB 3.32Å; D1040-H1042 PolarHBondContact OD1-N 3.42Å; D1040-H1042 IonicContact OD1-ND1 3.98Å; D1040-H1042 IonicContact OD2-CE1 3.93Å; D1040-H1042 IonicContact OD2-CG 3.62Å; D1040-H1042 IonicContact OD2-ND1 2.84Å; D1040-H1042 PolarHBondContact OD2-ND1 3.35Å; H1042-R1044 HydrophobicContact CB-CG 4.14Å
1043G87Confident90.9Very high35 Ų3553.3 Ų53.336%0.36129%0.29SS..SBendtrans80.611.4-179.100000114.8R1039 D1040R1039-G1043 WeakPolarHBondContact CD-O 3.48Å; R1039-G1043 PolarHBondContact NH1-O 2.88Å; D1040-G1043 PolarHBondContact O-N 3.39Å; D1040-G1043 PolarHBondContact OD1-N 2.83Å; D1040-G1043 VanDerWaalsContact OD1-N 3.08Å
1044R91Very high91Very high78 Ų7857.1 Ų57.129%0.29430%0.295SS..  trans-88.5138.1-174.7-56.7176.5-65.41743.1111.5R1039 D1040 H1042 D1048 I1049R1039-R1044 VanDerWaalsContact CA-O 3.32Å; R1039-R1044 WeakPolarHBondContact CA-O 3.43Å; D1040-R1044 PolarHBondContact N-O 2.7Å; D1040-R1044 WeakPolarHBondContact OD1-CB 3.26Å; D1040-R1044 PolarHBondContact OD1-N 3.01Å; D1040-R1044 IonicContact OD1-NE 3.48Å; D1040-R1044 IonicContact OD2-CZ 3.63Å; D1040-R1044 VanDerWaalsContact OD2-CZ 3.24Å; D1040-R1044 IonicContact OD2-NE 2.79Å; D1040-R1044 PolarHBondContact OD2-NE 2.7Å; D1040-R1044 IonicContact OD2-NH2 2.68Å; D1040-R1044 PolarHBondContact OD2-NH2 3.02Å; H1042-R1044 HydrophobicContact CB-CG 4.14Å; R1044-D1048 HydrophobicContact CB-CB 4.06Å; R1044-I1049 HydrophobicContact CB-CD1 4.1Å; R1044-I1049 HydrophobicContact CB-CG1 3.89Å
1045L92.6Very high91.1Very high15 Ų1559.6 Ų59.68%0.07931%0.305CS..  trans-77.5165.2168.6-64.9168.5000110.9G1037 R1039 A1047 D1048 I1049G1037-L1045 WeakPolarHBondContact O-CD2 3.49Å; R1039-L1045 HydrophobicContact CG-CD2 3.71Å; R1039-L1045 HydrophobicContact CG-CG 4.24Å; L1045-A1047 PolarHBondContact O-N 3.17Å; L1045-D1048 WeakPolarHBondContact CB-OD2 3.37Å; L1045-D1048 PolarHBondContact N-OD2 3.06Å; L1045-D1048 WeakPolarHBondContact O-CB 3.48Å; L1045-D1048 PolarHBondContact O-N 3.08Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.36Å; L1045-I1049 PolarHBondContact O-N 2.98Å; L1045-I1049 VanDerWaalsContact O-N 3.11Å
1046A91.2Very high91.1Very high7 Ų759.4 Ų59.46%0.05830%0.304CS..Hα-helixtrans-58.6-34.7172.900000112.6L1014 A1018 I1049 A1050 L1062L1014-A1046 HydrophobicContact CD2-CB 4.32Å; L1014-A1046 HydrophobicContact CG-CB 4.07Å; A1018-A1046 HydrophobicContact CB-CB 4.19Å; A1018-A1046 WeakPolarHBondContact CB-O 3.46Å; A1046-I1049 PolarHBondContact O-N 3.31Å; A1046-A1050 PolarHBondContact O-N 3.16Å; A1046-L1062 HydrophobicContact CB-CD1 3.82Å
1047A91.9Very high91.1Very high3 Ų366.7 Ų66.73%0.02534%0.338CS..Hα-helixtrans-65-43.6174.200000113L1045 I1049 A1050 R1051 L1062 E1063L1045-A1047 PolarHBondContact O-N 3.17Å; A1047-I1049 VanDerWaalsContact C-N 3.25Å; A1047-I1049 PolarHBondContact O-N 3.45Å; A1047-A1050 PolarHBondContact O-N 3.41Å; A1047-R1051 PolarHBondContact O-N 3.26Å; A1047-L1062 HydrophobicContact CB-CB 3.96Å; A1047-E1063 HydrophobicContact CB-CG 3.93Å
1048D92.4Very high91.3Very high60 Ų6065.2 Ų65.232%0.32132%0.322SS..Hα-helixtrans-58.1-42.1174.4-63.8-48.6000110.6R1044 L1045 R1051 L1052R1044-D1048 HydrophobicContact CB-CB 4.06Å; L1045-D1048 WeakPolarHBondContact CB-OD2 3.37Å; L1045-D1048 PolarHBondContact N-OD2 3.06Å; L1045-D1048 WeakPolarHBondContact O-CB 3.48Å; L1045-D1048 PolarHBondContact O-N 3.08Å; D1048-R1051 PolarHBondContact O-N 2.88Å; D1048-L1052 WeakPolarHBondContact O-CB 3.3Å; D1048-L1052 VanDerWaalsContact O-CG 3.23Å; D1048-L1052 WeakPolarHBondContact O-CG 3.3Å; D1048-L1052 PolarHBondContact O-N 3.43Å
1049I92Very high91.4Very high2 Ų262.7 Ų62.71%0.0131%0.31CS..Hα-helixtrans-70.2-39.1-178.8-67167.8000111.4Q1019 D1040 R1044 L1045 A1046 A1047 S1053Q1019-I1049 HydrophobicContact CB-CG2 3.55Å; Q1019-I1049 HydrophobicContact CG-CG2 3.98Å; D1040-I1049 HydrophobicContact CB-CD1 4.49Å; R1044-I1049 HydrophobicContact CB-CD1 4.1Å; R1044-I1049 HydrophobicContact CB-CG1 3.89Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.36Å; L1045-I1049 PolarHBondContact O-N 2.98Å; L1045-I1049 VanDerWaalsContact O-N 3.11Å; A1046-I1049 PolarHBondContact O-N 3.31Å; A1047-I1049 VanDerWaalsContact C-N 3.25Å; A1047-I1049 PolarHBondContact O-N 3.45Å; I1049-S1053 VanDerWaalsContact O-CB 3.32Å; I1049-S1053 WeakPolarHBondContact O-CB 3.23Å; I1049-S1053 PolarHBondContact O-N 3.24Å; I1049-S1053 VanDerWaalsContact O-N 3.07Å; I1049-S1053 PolarHBondContact O-OG 3.5Å
1050A93.4Very high91.4Very high0 Ų060.1 Ų60.10%031%0.307CS..Hα-helixtrans-60.4-49.517100000111.6A1018 A1046 A1047 L1052 S1053 K1054 H1055 I1058 A1059A1018-A1050 HydrophobicContact CB-CB 4.13Å; A1046-A1050 PolarHBondContact O-N 3.16Å; A1047-A1050 PolarHBondContact O-N 3.41Å; A1050-L1052 PolarHBondContact O-N 2.99Å; A1050-S1053 CarbonylContact O-C 3.45Å; A1050-S1053 WeakPolarHBondContact O-CA 3.44Å; A1050-S1053 PolarHBondContact O-N 2.88Å; A1050-K1054 PolarHBondContact O-N 3.02Å; A1050-H1055 HydrophobicContact CB-CB 4.26Å; A1050-H1055 PolarHBondContact O-N 3.37Å; A1050-I1058 HydrophobicContact CB-CB 4.12Å; A1050-I1058 HydrophobicContact CB-CG2 4.08Å; A1050-A1059 HydrophobicContact CB-CB 3.99Å
1051R93.1Very high91.5Very high97 Ų9762.2 Ų62.237%0.36632%0.318SS..Hα-helixtrans-66.4-38.6-178.7-165.5168.3-76.2144.3-4.4112.4A1047 D1048 S1053 K1054 A1059 D1060 E1063A1047-R1051 PolarHBondContact O-N 3.26Å; D1048-R1051 PolarHBondContact O-N 2.88Å; R1051-S1053 PolarHBondContact O-N 3.18Å; R1051-K1054 PolarHBondContact O-N 2.7Å; R1051-A1059 HydrophobicContact CB-CB 3.97Å; R1051-D1060 IonicContact CZ-OD1 2.98Å; R1051-D1060 IonicContact NH2-OD1 3.24Å; R1051-D1060 PolarHBondContact NH2-OD1 3.18Å; R1051-E1063 IonicContact CZ-OE1 3.5Å; R1051-E1063 IonicContact CZ-OE2 3.46Å; R1051-E1063 VanDerWaalsContact NH1-CD 3.33Å; R1051-E1063 IonicContact NH1-OE1 2.68Å; R1051-E1063 PolarHBondContact NH1-OE1 2.84Å; R1051-E1063 IonicContact NH1-OE2 3.28Å; R1051-E1063 PolarHBondContact NH1-OE2 3.14Å; R1051-E1063 IonicContact NH2-OE1 3.38Å; R1051-E1063 IonicContact NH2-OE2 3.68Å; R1051-E1063 PolarHBondContact NH2-OE2 3.03Å
1052L91.8Very high91.5Very high119 Ų11958 Ų5862%0.62329%0.288SS*.Hα-helixtrans-61.2-31169.8-75.9170.2000113D1048 A1050D1048-L1052 WeakPolarHBondContact O-CB 3.3Å; D1048-L1052 VanDerWaalsContact O-CG 3.23Å; D1048-L1052 WeakPolarHBondContact O-CG 3.3Å; D1048-L1052 PolarHBondContact O-N 3.43Å; A1050-L1052 PolarHBondContact O-N 2.99Å
1053S91.8Very high91.5Very high39 Ų3954.7 Ų54.727%0.27327%0.273SS..THydrogen-bonded Turntrans-89.2-1179-50.90000113.4I1049 A1050 R1051I1049-S1053 VanDerWaalsContact O-CB 3.32Å; I1049-S1053 WeakPolarHBondContact O-CB 3.23Å; I1049-S1053 PolarHBondContact O-N 3.24Å; I1049-S1053 VanDerWaalsContact O-N 3.07Å; I1049-S1053 PolarHBondContact O-OG 3.5Å; A1050-S1053 CarbonylContact O-C 3.45Å; A1050-S1053 WeakPolarHBondContact O-CA 3.44Å; A1050-S1053 PolarHBondContact O-N 2.88Å; R1051-S1053 PolarHBondContact O-N 3.18Å
1054K92Very high91.6Very high173 Ų17356.6 Ų56.675%0.75228%0.278SS*.THydrogen-bonded Turntrans65.140.5-175.7-49176.8-174.21740113.8A1050 R1051A1050-K1054 PolarHBondContact O-N 3.02Å; R1051-K1054 PolarHBondContact O-N 2.7Å
1055H93.9Very high91.3Very high60 Ų6055.8 Ų55.828%0.27828%0.279SS..  trans-109.960.6172.5-60.9-45.1000109.8A1018 G1021 A1050 E1057 I1058 A1059A1018-H1055 PolarHBondContact O-CD2 2.98Å; G1021-H1055 WeakPolarHBondContact CA-CD2 3.06Å; G1021-H1055 WeakPolarHBondContact CA-NE2 3.35Å; G1021-H1055 PolarHBondContact N-CD2 3.35Å; G1021-H1055 VanDerWaalsContact N-CD2 3.28Å; G1021-H1055 PolarHBondContact N-NE2 3.48Å; A1050-H1055 HydrophobicContact CB-CB 4.26Å; A1050-H1055 PolarHBondContact O-N 3.37Å; H1055-E1057 VanDerWaalsContact C-N 3.31Å; H1055-E1057 PolarHBondContact O-N 3.18Å; H1055-I1058 HydrophobicContact CB-CB 4.33Å; H1055-I1058 HydrophobicContact CB-CD1 4.09Å; H1055-I1058 HydrophobicContact CB-CG1 4.29Å; H1055-I1058 WeakPolarHBondContact O-CB 3.34Å; H1055-I1058 PolarHBondContact O-N 3.48Å; H1055-A1059 PolarHBondContact O-N 2.89Å
1056D91.3Very high90.7Very high82 Ų8257.6 Ų57.644%0.43929%0.287SS..Hα-helixtrans-60.2-38.1-170-58.3-52.8000112.5I1058 A1059 D1060D1056-I1058 PolarHBondContact O-N 3.41Å; D1056-A1059 WeakPolarHBondContact O-CB 3.23Å; D1056-A1059 PolarHBondContact O-N 2.79Å; D1056-A1059 VanDerWaalsContact O-N 3.08Å; D1056-D1060 PolarHBondContact O-N 3.48Å
1057E91.2Very high90Very high173 Ų17362.9 Ų62.981%0.80831%0.314SS*.Hα-helixtrans-59.9-31.5174.8-62.4-177.5-16900113.2H1055 L1061H1055-E1057 VanDerWaalsContact C-N 3.31Å; H1055-E1057 PolarHBondContact O-N 3.18Å; E1057-L1061 WeakPolarHBondContact O-CB 3.45Å; E1057-L1061 PolarHBondContact O-N 3.08Å
1058I92.3Very high89.2Confident2 Ų268 Ų681%0.0134%0.341CS..Hα-helixtrans-78.3-39.9174.2-58-177.6000110.6A1018 D1023 V1026 A1050 H1055 D1056 L1061 L1062A1018-I1058 HydrophobicContact CB-CG2 4.41Å; D1023-I1058 HydrophobicContact CB-CD1 4.41Å; D1023-I1058 HydrophobicContact CB-CG1 4.32Å; D1023-I1058 WeakPolarHBondContact OD1-CD1 3.37Å; V1026-I1058 HydrophobicContact CG1-CG2 4.27Å; V1026-I1058 HydrophobicContact CG2-CD1 4.43Å; V1026-I1058 HydrophobicContact CG2-CG2 3.96Å; A1050-I1058 HydrophobicContact CB-CB 4.12Å; A1050-I1058 HydrophobicContact CB-CG2 4.08Å; H1055-I1058 HydrophobicContact CB-CB 4.33Å; H1055-I1058 HydrophobicContact CB-CD1 4.09Å; H1055-I1058 HydrophobicContact CB-CG1 4.29Å; H1055-I1058 WeakPolarHBondContact O-CB 3.34Å; H1055-I1058 PolarHBondContact O-N 3.48Å; D1056-I1058 PolarHBondContact O-N 3.41Å; I1058-L1061 PolarHBondContact O-N 3.32Å; I1058-L1062 HydrophobicContact CG2-CD1 3.89Å; I1058-L1062 HydrophobicContact CG2-CG 4.36Å; I1058-L1062 WeakPolarHBondContact O-CB 3.41Å; I1058-L1062 WeakPolarHBondContact O-CG 3.34Å; I1058-L1062 PolarHBondContact O-N 3.29Å
1059A91.9Very high87.9Confident0 Ų070.3 Ų70.30%035%0.353CS..Hα-helixtrans-60.4-49177.600000110.8A1050 R1051 H1055 D1056 L1061 L1062 E1063A1050-A1059 HydrophobicContact CB-CB 3.99Å; R1051-A1059 HydrophobicContact CB-CB 3.97Å; H1055-A1059 PolarHBondContact O-N 2.89Å; D1056-A1059 WeakPolarHBondContact O-CB 3.23Å; D1056-A1059 PolarHBondContact O-N 2.79Å; D1056-A1059 VanDerWaalsContact O-N 3.08Å; A1059-L1061 VanDerWaalsContact C-N 3.35Å; A1059-L1061 PolarHBondContact O-N 3.45Å; A1059-L1062 PolarHBondContact O-N 3.31Å; A1059-E1063 WeakPolarHBondContact O-CG 3.49Å; A1059-E1063 PolarHBondContact O-N 2.87Å
1060D91.7Very high86.3Confident81 Ų8174.4 Ų74.443%0.43338%0.378SS..Hα-helixtrans-66.7-34.8-179.6-64.81.9000111.7R1051 D1056 T1064R1051-D1060 IonicContact CZ-OD1 2.98Å; R1051-D1060 IonicContact NH2-OD1 3.24Å; R1051-D1060 PolarHBondContact NH2-OD1 3.18Å; D1056-D1060 PolarHBondContact O-N 3.48Å; D1060-T1064 WeakPolarHBondContact O-CB 3.32Å; D1060-T1064 VanDerWaalsContact O-CG2 3.3Å; D1060-T1064 WeakPolarHBondContact O-CG2 3.36Å; D1060-T1064 PolarHBondContact O-N 3.32Å; D1060-T1064 PolarHBondContact O-OG1 2.93Å
1061L90.8Very high84.4Confident55 Ų5576.1 Ų76.129%0.28840%0.396SS..Hα-helixtrans-63.5-42.8171.4177.263.7000112.2E1057 I1058 A1059 T1064 L1065E1057-L1061 WeakPolarHBondContact O-CB 3.45Å; E1057-L1061 PolarHBondContact O-N 3.08Å; I1058-L1061 PolarHBondContact O-N 3.32Å; A1059-L1061 VanDerWaalsContact C-N 3.35Å; A1059-L1061 PolarHBondContact O-N 3.45Å; L1061-T1064 PolarHBondContact O-OG1 3.25Å; L1061-L1065 HydrophobicContact CD1-CD1 4.16Å; L1061-L1065 HydrophobicContact CG-CD1 4.28Å; L1061-L1065 WeakPolarHBondContact O-CB 3.39Å; L1061-L1065 VanDerWaalsContact O-CG 3.26Å; L1061-L1065 WeakPolarHBondContact O-CG 3.48Å; L1061-L1065 PolarHBondContact O-N 3.38Å; L1061-L1065 VanDerWaalsContact O-N 3.16Å
1062L90.2Very high82.1Confident0 Ų078.8 Ų78.80%041%0.414CS..Hα-helixtrans-72.3-40.8179.9-70.9171.2000111.9L1014 A1018 V1026 L1030 I1036 A1046 A1047 I1058 A1059 L1065 Q1066L1014-L1062 HydrophobicContact CD1-CD2 4.42Å; A1018-L1062 HydrophobicContact CB-CD1 4.39Å; V1026-L1062 HydrophobicContact CG1-CD2 4.12Å; L1030-L1062 HydrophobicContact CD1-CD2 4.11Å; L1030-L1062 HydrophobicContact CD2-CD2 4.23Å; I1036-L1062 HydrophobicContact CG2-CB 4.49Å; I1036-L1062 HydrophobicContact CG2-CD2 4.32Å; A1046-L1062 HydrophobicContact CB-CD1 3.82Å; A1047-L1062 HydrophobicContact CB-CB 3.96Å; I1058-L1062 HydrophobicContact CG2-CD1 3.89Å; I1058-L1062 HydrophobicContact CG2-CG 4.36Å; I1058-L1062 WeakPolarHBondContact O-CB 3.41Å; I1058-L1062 WeakPolarHBondContact O-CG 3.34Å; I1058-L1062 PolarHBondContact O-N 3.29Å; A1059-L1062 PolarHBondContact O-N 3.31Å; L1062-L1065 PolarHBondContact O-N 2.81Å; L1062-Q1066 PolarHBondContact O-N 3.41Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.48Å
1063E89Confident79.8Confident67 Ų6778 Ų7831%0.31342%0.417SS..Hα-helixtrans-63.5-46.9175.7-73.8-178.7164.600111.6A1047 R1051 A1059 L1065 Q1066 D1067A1047-E1063 HydrophobicContact CB-CG 3.93Å; R1051-E1063 IonicContact CZ-OE1 3.5Å; R1051-E1063 IonicContact CZ-OE2 3.46Å; R1051-E1063 VanDerWaalsContact NH1-CD 3.33Å; R1051-E1063 IonicContact NH1-OE1 2.68Å; R1051-E1063 PolarHBondContact NH1-OE1 2.84Å; R1051-E1063 IonicContact NH1-OE2 3.28Å; R1051-E1063 PolarHBondContact NH1-OE2 3.14Å; R1051-E1063 IonicContact NH2-OE1 3.38Å; R1051-E1063 IonicContact NH2-OE2 3.68Å; R1051-E1063 PolarHBondContact NH2-OE2 3.03Å; A1059-E1063 WeakPolarHBondContact O-CG 3.49Å; A1059-E1063 PolarHBondContact O-N 2.87Å; E1063-L1065 PolarHBondContact O-N 2.75Å; E1063-L1065 VanDerWaalsContact C-N 3.31Å; E1063-Q1066 PolarHBondContact O-N 2.97Å; E1063-Q1066 VanDerWaalsContact O-N 3.15Å; E1063-D1067 PolarHBondContact O-N 3.49Å
1064T88.1Confident77.4Confident76 Ų7680.5 Ų80.547%0.46643%0.432SS..Hα-helixtrans-64.3-33.3177.850.90000112.9D1060 L1061 N1068D1060-T1064 WeakPolarHBondContact O-CB 3.32Å; D1060-T1064 VanDerWaalsContact O-CG2 3.3Å; D1060-T1064 WeakPolarHBondContact O-CG2 3.36Å; D1060-T1064 PolarHBondContact O-N 3.32Å; D1060-T1064 PolarHBondContact O-OG1 2.93Å; L1061-T1064 PolarHBondContact O-OG1 3.25Å; T1064-N1068 PolarHBondContact O-N 2.85Å; T1064-N1068 PolarHBondContact O-ND2 3.18Å
1065L84.9Confident74.7Confident61 Ų6178.8 Ų78.832%0.31943%0.431SS..Hα-helixtrans-70.3-40.4171.8-72.4171.1000112.1L1030 I1036 L1061 L1062 E1063 N1068 L1069L1030-L1065 HydrophobicContact CD1-CD1 3.73Å; I1036-L1065 HydrophobicContact CD1-CB 3.77Å; L1061-L1065 HydrophobicContact CD1-CD1 4.16Å; L1061-L1065 HydrophobicContact CG-CD1 4.28Å; L1061-L1065 WeakPolarHBondContact O-CB 3.39Å; L1061-L1065 VanDerWaalsContact O-CG 3.26Å; L1061-L1065 WeakPolarHBondContact O-CG 3.48Å; L1061-L1065 PolarHBondContact O-N 3.38Å; L1061-L1065 VanDerWaalsContact O-N 3.16Å; L1062-L1065 PolarHBondContact O-N 2.81Å; E1063-L1065 PolarHBondContact O-N 2.75Å; E1063-L1065 VanDerWaalsContact C-N 3.31Å; L1065-N1068 PolarHBondContact O-N 3Å; L1065-L1069 PolarHBondContact O-N 3.36Å; L1065-L1069 WeakPolarHBondContact O-CD1 3.34Å; L1065-L1069 VanDerWaalsContact O-CD1 3.23Å
1066Q80.1Confident72Confident52 Ų5283.6 Ų83.624%0.24346%0.458CS..Hα-helixtrans-63.1-45.2178-171.6168.98.500112.1I1036 L1062 E1063 N1068 L1069 V1070I1036-Q1066 HydrophobicContact CG2-CB 4.11Å; L1062-Q1066 PolarHBondContact O-N 3.41Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.48Å; E1063-Q1066 PolarHBondContact O-N 2.97Å; E1063-Q1066 VanDerWaalsContact O-N 3.15Å; Q1066-N1068 VanDerWaalsContact C-N 3.3Å; Q1066-N1068 PolarHBondContact O-N 2.88Å; Q1066-L1069 PolarHBondContact O-N 2.73Å; Q1066-V1070 WeakPolarHBondContact O-CG2 3.38Å; Q1066-V1070 PolarHBondContact O-N 2.93Å; Q1066-V1070 VanDerWaalsContact O-N 3.12Å
1067D77.3Confident69Low118 Ų11885.1 Ų85.163%0.63148%0.475SS*.Hα-helixtrans-60.8-37.4175.7-87-11.7000112.3E1063 V1070 G1071E1063-D1067 PolarHBondContact O-N 3.49Å; D1067-V1070 PolarHBondContact O-N 2.72Å; D1067-G1071 PolarHBondContact O-N 3.33Å
1068N73.7Confident66.1Low111 Ų11179.8 Ų79.859%0.59447%0.466SS*.Hα-helixtrans-65.5-38.2176.3-84.2-65.6000112.6T1064 L1065 Q1066 G1071 M1072T1064-N1068 PolarHBondContact O-N 2.85Å; T1064-N1068 PolarHBondContact O-ND2 3.18Å; L1065-N1068 PolarHBondContact O-N 3Å; Q1066-N1068 VanDerWaalsContact C-N 3.3Å; Q1066-N1068 PolarHBondContact O-N 2.88Å; N1068-G1071 PolarHBondContact O-N 3.21Å; N1068-M1072 VanDerWaalsContact O-N 3.1Å; N1068-M1072 PolarHBondContact O-N 2.96Å
1069L64.9Low63.4Low108 Ų10885.4 Ų85.457%0.56551%0.505SS*.Hα-helixtrans-64.2-44.5173.1-90.580.5000111.5L1065 Q1066 G1071 M1072 C1073L1065-L1069 PolarHBondContact O-N 3.36Å; L1065-L1069 WeakPolarHBondContact O-CD1 3.34Å; L1065-L1069 VanDerWaalsContact O-CD1 3.23Å; Q1066-L1069 PolarHBondContact O-N 2.73Å; L1069-G1071 VanDerWaalsContact C-N 3.32Å; L1069-G1071 PolarHBondContact O-N 3.18Å; L1069-M1072 PolarHBondContact O-N 3.29Å; L1069-C1073 PolarHBondContact O-N 3.35Å; L1069-C1073 PolarHBondContact O-SG 3.34Å
1070V59.1Low60.6Low88 Ų8890.8 Ų90.853%0.53354%0.543SS..Hα-helixtrans-64.2-39.1177.2177.80000111Q1066 D1067 M1072 C1073 T1074Q1066-V1070 WeakPolarHBondContact O-CG2 3.38Å; Q1066-V1070 PolarHBondContact O-N 2.93Å; Q1066-V1070 VanDerWaalsContact O-N 3.12Å; D1067-V1070 PolarHBondContact O-N 2.72Å; V1070-M1072 PolarHBondContact O-N 3.36Å; V1070-C1073 PolarHBondContact O-N 2.9Å; V1070-T1074 PolarHBondContact O-N 3.45Å
1071G53Low57.8Low37 Ų3796.6 Ų96.638%0.38156%0.564SS.*Hα-helixtrans-61.3-38.1175.600000114D1067 N1068 L1069 T1074 N1075D1067-G1071 PolarHBondContact O-N 3.33Å; N1068-G1071 PolarHBondContact O-N 3.21Å; L1069-G1071 VanDerWaalsContact C-N 3.32Å; L1069-G1071 PolarHBondContact O-N 3.18Å; G1071-T1074 PolarHBondContact O-OG1 3.07Å; G1071-N1075 PolarHBondContact O-ND2 2.82Å
1072M46.1Very low55.2Low152 Ų152103.5 Ų103.575%0.74959%0.592SS**Hα-helixtrans-68.5-42.2173.6-74.7-164.8166.900112.4N1068 L1069 V1070 T1074 N1075N1068-M1072 VanDerWaalsContact O-N 3.1Å; N1068-M1072 PolarHBondContact O-N 2.96Å; L1069-M1072 PolarHBondContact O-N 3.29Å; V1070-M1072 PolarHBondContact O-N 3.36Å; M1072-T1074 VanDerWaalsContact C-N 3.26Å; M1072-T1074 PolarHBondContact O-N 3.29Å; M1072-N1075 PolarHBondContact O-N 2.93Å
1073C42.5Very low52.5Low102 Ų102108.5 Ų108.569%0.68963%0.627SS**Hα-helixtrans-65-23.1-178.1-72.60000114.5L1069 V1070 N1075L1069-C1073 PolarHBondContact O-N 3.35Å; L1069-C1073 PolarHBondContact O-SG 3.34Å; V1070-C1073 PolarHBondContact O-N 2.9Å; C1073-N1075 VanDerWaalsContact C-N 3.34Å; C1073-N1075 PolarHBondContact O-N 3.11Å
1074T41.4Very low49.7Very low93 Ų93110 Ų11057%0.57165%0.65SS**THydrogen-bonded Turntrans-75.5-17.8179.152.70000114.5V1070 G1071 M1072V1070-T1074 PolarHBondContact O-N 3.45Å; G1071-T1074 PolarHBondContact O-OG1 3.07Å; M1072-T1074 VanDerWaalsContact C-N 3.26Å; M1072-T1074 PolarHBondContact O-N 3.29Å
1075N35.7Very low47Very low137 Ų137115.1 Ų115.173%0.73367%0.669SS**THydrogen-bonded Turntrans-91.74.5-176.2-76.9-69.5000115.2G1071 M1072 C1073G1071-N1075 PolarHBondContact O-ND2 2.82Å; M1072-N1075 PolarHBondContact O-N 2.93Å; C1073-N1075 VanDerWaalsContact C-N 3.34Å; C1073-N1075 PolarHBondContact O-N 3.11Å
1076L36.3Very low44.4Very low161 Ų161116.9 Ų116.984%0.84369%0.687SS**  trans-123.342.6-178.8-80.8165.4000113.4G1078L1076-G1078 PolarHBondContact O-N 2.98Å
1077S29.5Very low42.2Very low114 Ų114123.7 Ų123.780%0.79772%0.716SS**  trans-98.666.5179.749.60000113.2
1078G30.6Very low39.8Very low60 Ų60123.3 Ų123.362%0.61972%0.722SS**  trans-15097.5-174.600000116.6L1076L1076-G1078 PolarHBondContact O-N 2.98Å
1079S34.3Very low37.8Very low120 Ų120123.9 Ų123.984%0.83974%0.735SS**  trans69.2149.5174.994.10000114.9
1080S32.9Very low36.1Very low114 Ų114124.3 Ų124.380%0.79775%0.747SS**  cis-137.51531.4-78.60000111.9
1081K33.4Very low34.9Very low202 Ų202123.5 Ų123.588%0.87876%0.756SS**  trans-88.8146.6176.9-61.2171.4177.5175.50112.1
1082K35.5Very low33.9Very low201 Ų201131.1 Ų131.187%0.87478%0.775SS**  trans-175.4149.7133.4-105.3163.9-176.8-178.90113.2
1083S34.9Very low33.3Very low104 Ų104132 Ų13273%0.72778%0.777SS**  trans24.7116.7158.552.50000118.3
1084A30.7Very low32.9Very low98 Ų98132.3 Ų132.381%0.8178%0.78SS**  cis59.9104.332.500000115.3
1085E31.2Very low32.5Very low184 Ų184135.7 Ų135.786%0.8679%0.794SS**  -166171.3128.2-114-175.7-141.700110.9
1086S28.9Very low32.2Very low98 Ų98136 Ų13669%0.68580%0.795SS**  trans-131.2153.4-172.760.60000112.5
1087K34Very low32.1Very low196 Ų196135.7 Ų135.785%0.85279%0.794SS**  trans-178.9158.3146.5-97.3140.8-156.8157.20113.2
1088S26.5Very low32.2Very low110 Ų110134.8 Ų134.877%0.76978%0.784SS**  trans-104.8143.4174.553.70000111.9
1089S32.1Very low32.4Very low123 Ų123138.5 Ų138.586%0.8679%0.79SS**  trans-171.4158.6145.853.70000114
1090S30.7Very low32.3Very low116 Ų116139.5 Ų139.581%0.81179%0.786SS**  trans-72.2167.8178.747.60000116
1091G32.6Very low32.4Very low71 Ų71139.1 Ų139.173%0.73278%0.783SS**  trans-176.375.6173.200000119.9
1092Y32.9Very low32.3Very low198 Ų198136.5 Ų136.578%0.77678%0.784SS**  trans42.6112.3141.3-78-92.9000125.3
1093Q32.3Very low32.3Very low170 Ų170131 Ų13179%0.79479%0.785SS**  65.5149.1118.2-78.1-169.8-21.300126.3
1094S34.2Very low32Very low108 Ų108131.8 Ų131.876%0.75579%0.79SS**  trans107.7142.7150.880.80000116.1
1095L33.6Very low32.2Very low165 Ų165132.1 Ų132.186%0.86479%0.793SS**  cis-128.6175.810.2-80.2168.4000113.6
1096L29.1Very low32Very low142 Ų142132 Ų13274%0.74379%0.79SS**  trans-105.6161.8177.8-62.594.4000113.4
1097N33.9Very low32.1Very low155 Ų155133.8 Ų133.883%0.82980%0.796SS**  trans-178.2110.9130.2-86.1-12.6000107.6
1098T32.3Very low31.8Very low96 Ų96130.7 Ų130.759%0.58979%0.789SS**  75.797.760.1680000115.3
1099N33.9Very low31.8Very low138 Ų138129.7 Ų129.774%0.73879%0.788SS**  177.7123.3107.5-87.15.6000115
1100D33.1Very low31.8Very low141 Ų141129.9 Ų129.975%0.75478%0.784SS**  trans62.9142.4131.1-55.2-21.2000126.7
1101S34.7Very low31.5Very low106 Ų106131.3 Ų131.374%0.74178%0.781SS**  trans96.179.9157.473.70000118
1102T31.9Very low31.3Very low146 Ų146136.4 Ų136.490%0.89679%0.786SS**  73.4116.276.763.70000116
1103G34.1Very low30.9Very low87 Ų87132.5 Ų132.590%0.89778%0.783SS**  trans168.576.1171.200000113.5
1104S29.9Very low30.8Very low120 Ų120131.5 Ų131.584%0.83979%0.788SS**  trans-117.4144.1-17160.60000114.5
1105A33.7Very low30.6Very low105 Ų105137.7 Ų137.787%0.86880%0.795SS**  trans-144.1128.4155.500000111.3
1106K27.3Very low30.5Very low181 Ų181135.5 Ų135.579%0.78779%0.791SS**  trans-129.9147.6168.8-75.8-175.2173.4-170.80108.7
1107V31.9Very low30.7Very low136 Ų136133.6 Ų133.682%0.82479%0.787SS**  trans-160.4109.5141-179.20000103.6
1108D27.6Very low30.3Very low130 Ų130133.2 Ų133.270%0.69578%0.784SS**  81.2138.466.2-64.9-46.5000115.5
1109A26.5Very low30.1Very low90 Ų90135.1 Ų135.174%0.74479%0.791SS**  trans-1.9149.5167.900000120.9
1110T31Very low29.6Very low127 Ų127133 Ų13378%0.77979%0.787SS**  -154.4151.15539.30000112.3
1111L25.9Very low29.3Very low146 Ų146133.4 Ų133.476%0.76479%0.787SS**  78.3100.763.5-135.5173.5000114.5
1112E28.3Very low28.7Very low178 Ų178133 Ų13383%0.83278%0.784SS**  trans152100.7153.4-88.5-177.4-171.600109.6
1113T24.8Very low28.2Very low116 Ų116131.9 Ų131.971%0.71278%0.782SS**  6489.673.4660000117.4
1114T29.7Very low27.7Very low148 Ų148132 Ų13291%0.90877%0.774SS**  trans-158121137.64.10000113.5
1115R29.6Very low27.4Very low238 Ų238131.1 Ų131.190%0.89877%0.768SS**  trans-121.9167.1158.6-91.9-175.6177.7-175.5-0105
1116P32.2Very low26.9Very low120 Ų120133.6 Ų133.678%0.77977%0.766SS**  cis-144.4-137.441.832.9-4.2000113.6
1117P32.7Very low26.8Very low101 Ų101129.6 Ų129.666%0.65676%0.761SS**  -129.7-169.2-89.442.8-26.3000115.1
1118L25.8Very low26.4Very low147 Ų147127.8 Ų127.877%0.7775%0.754SS**  trans23.3128.4140.9-62.4163000118
1119D27.5Very low26.3Very low137 Ų137129.6 Ų129.673%0.73376%0.758SS**  -164.1137.264.5-92.5-43.1000110
1120S24.2Very low26.3Very low92 Ų92131.5 Ų131.564%0.64376%0.756SS**  95.8158.374.895.90000115.1
1121I26.5Very low26.1Very low150 Ų150132 Ų13277%0.76975%0.754SS**  trans79.594.1166.7-60.4163.4000119.9
1122S22.5Very low26.3Very low97 Ų97132.3 Ų132.368%0.67876%0.756SS**  trans57.1124.6131.581.10000125.1
1123C21.2Very low26.1Very low124 Ų124128.2 Ų128.284%0.83875%0.747SS**  58.5114.2122.3-61.10000123.1
1124A24.1Very low26.1Very low90 Ų90127.8 Ų127.874%0.74475%0.749SS**  103.7142.5118.500000121.8
1125S23.5Very low25.8Very low101 Ų101127.6 Ų127.671%0.70675%0.748SS**  trans76.3111.7151.226.50000122.5
1126L23.2Very low25.6Very low157 Ų157120.6 Ų120.682%0.82274%0.741SS**  79.5117.4121.5-66.4170.5000122.4
1127S23.4Very low25.1Very low97 Ų97123.1 Ų123.168%0.67874%0.74SS**  75.3154.5129.960.50000122.2
1128S24.4Very low24.8Very low97 Ų97123.5 Ų123.568%0.67874%0.736SS**  trans66.6144.2164.931.90000117.1
1129E25.4Very low24.7Very low168 Ų168123.5 Ų123.579%0.78573%0.732SS**  cis-164.4-178.5-18.9-125.3155-177.800109.4
1130D27.7Very low24.5Very low131 Ų131124.3 Ų124.370%0.70173%0.731SS**  trans68.7112.3154.6-56.9-14.2000124.1
1131D25.8Very low24.5Very low138 Ų138122.5 Ų122.574%0.73872%0.722SS**  84.3146.9120.9-78.5-13.3000126.4
1132N29.1Very low24.4Very low151 Ų151123.5 Ų123.581%0.80773%0.729SS**  trans78.6135.2170.9-54.8-70.4000117.5
1133S26Very low24.5Very low93 Ų93122.7 Ų122.765%0.6571%0.714SS**  cis-168.1144.3-12.8510000110.9
1134S24.1Very low24.6Very low106 Ų106121.9 Ų121.974%0.74171%0.708SS**  trans38.6104.6157.659.20000117.8
1135T23.4Very low24.6Very low144 Ų144123.4 Ų123.488%0.88371%0.707SS**  -166.6167.182.332.60000111.7
1136A24.8Very low24.6Very low91 Ų91121 Ų12175%0.75270%0.698SS**  cis-146.5-110.6-13.800000110.6
1137F22.9Very low24.7Very low173 Ų173119.4 Ų119.476%0.75970%0.695SS**  trans-127.3138.4-174.9-81.9-107.7000112.6Q1139F1137-Q1139 HydrophobicContact CD1-CG 4.38Å
1138L25.7Very low24.8Very low110 Ų110118.9 Ų118.958%0.57668%0.681SS**  -150.9115.5121.7-100.8-176.8000108Q709Q709-L1138 HydrophobicContact CG-CD2 4.31Å
1139Q24Very low24.8Very low147 Ų147119.7 Ų119.769%0.68769%0.687SS**  trans-89109-180-77.4177-73.400110.5F1137 A1141F1137-Q1139 HydrophobicContact CD1-CG 4.38Å; Q1139-A1141 PolarHBondContact O-N 3.35Å
1140E22.5Very low24.8Very low153 Ų153114.9 Ų114.972%0.71567%0.666SS**  trans-68.579.1152.6-80.6-172.9163.800108.2D1142 R1202E1140-D1142 PolarHBondContact O-N 2.84Å; E1140-R1202 PolarHBondContact OE2-NH2 3.47Å; E1140-R1202 IonicContact OE2-NH2 3.12Å; E1140-R1202 PolarHBondContact OE1-NH2 3.12Å; E1140-R1202 IonicContact OE1-NE 3.15Å; E1140-R1202 IonicContact OE1-NH2 2.79Å; E1140-R1202 IonicContact OE1-CZ 2.77Å
1141A25.3Very low24.7Very low55 Ų55116.6 Ų116.646%0.45568%0.675SS.*  trans-72.6109.5176.500000109.4Q1139 H1143Q1139-A1141 PolarHBondContact O-N 3.35Å; A1141-H1143 PolarHBondContact O-N 2.68Å
1142D23.2Very low24.8Very low171 Ų171114.8 Ų114.891%0.91467%0.673SS**  trans-66.971.2172.1-129.9-4.7000109.2E1140E1140-D1142 PolarHBondContact O-N 2.84Å
1143H25Very low24.7Very low80 Ų80111.6 Ų111.637%0.3768%0.677SS.*  trans-60.8129.4-177.7-96-106.7000109.9E638 A1141 V1145E638-H1143 IonicContact OE2-ND1 3.47Å; E638-H1143 PolarHBondContact OE2-ND1 2.74Å; A1141-H1143 PolarHBondContact O-N 2.68Å; H1143-V1145 PolarHBondContact O-N 2.85Å
1144P22.3Very low24.7Very low107 Ų107119 Ų11970%0.69569%0.69SS**  trans-70.5100.3-177.628.4-33.8000109.6G1146P1144-G1146 PolarHBondContact O-N 3.2Å
1145V25.1Very low24.7Very low122 Ų122118.5 Ų118.574%0.73969%0.687SS**  trans-68.279.3167.7179.50000108.4H1143 T1147H1143-V1145 PolarHBondContact O-N 2.85Å; V1145-T1147 HydrophobicContact CG1-CG2 3.78Å; V1145-T1147 PolarHBondContact O-N 3.25Å
1146G22.9Very low24.8Very low50 Ų50118 Ų11852%0.51568%0.683SS.*  trans-72.369.7170.400000110.4P1144 F1148P1144-G1146 PolarHBondContact O-N 3.2Å; G1146-F1148 PolarHBondContact O-N 2.83Å
1147T25.5Very low24.7Very low123 Ų123121.6 Ų121.676%0.75568%0.684SS**  trans-6998.2168.837.10000109.4V1145 S1149V1145-T1147 HydrophobicContact CG1-CG2 3.78Å; V1145-T1147 PolarHBondContact O-N 3.25Å; T1147-S1149 PolarHBondContact O-N 3.34Å
1148F25.9Very low25Very low87 Ų87119.6 Ų119.638%0.38269%0.686SS.*  trans-53.7131.6170.1-89.6-95.9000111.5D572 W574 G1146 D1150D572-F1148 HydrophobicContact CB-CE1 3.48Å; D572-F1148 VanDerWaalsContact CB-CE1 3.48Å; D572-F1148 HydrophobicContact CB-CZ 3.76Å; W574-F1148 AromaticContact CD1-CE1 3.76Å; W574-F1148 AromaticContact CD1-CZ 3.9Å; W574-F1148 AromaticContact CE2-CE1 3.96Å; W574-F1148 HydrophobicContact CZ2-CD1 4.43Å; W574-F1148 HydrophobicContact CZ2-CE1 4.46Å; W574-F1148 AromaticContact NE1-CD1 3.77Å; W574-F1148 AromaticContact NE1-CE1 3.02Å; W574-F1148 AromaticContact NE1-CE2 3.9Å; W574-F1148 AromaticContact NE1-CZ 3.11Å; G1146-F1148 PolarHBondContact O-N 2.83Å; F1148-D1150 PolarHBondContact O-N 3.39Å
1149S23.6Very low25Very low114 Ų114117.9 Ų117.980%0.79769%0.688SS**  trans-78.865.7174.6470000111.5T1147 N1151T1147-S1149 PolarHBondContact O-N 3.34Å; S1149-N1151 VanDerWaalsContact C-N 3.32Å; S1149-N1151 PolarHBondContact O-N 3.31Å
1150D26.8Very low25Very low67 Ų67119.2 Ų119.236%0.35870%0.699SS.*  trans-80.881.8175.1-137.4-37.8000111.8K549 F1148 S1152K549-D1150 IonicContact NZ-OD1 3.19Å; K549-D1150 PolarHBondContact NZ-OD1 3.29Å; K549-D1150 IonicContact NZ-OD2 3.75Å; K549-D1150 PolarHBondContact NZ-OD2 2.9Å; F1148-D1150 PolarHBondContact O-N 3.39Å; D1150-S1152 VanDerWaalsContact C-N 3.33Å; D1150-S1152 PolarHBondContact O-N 2.91Å
1151N24.8Very low25.2Very low166 Ų166120.7 Ų120.789%0.88870%0.702SS**  trans-61.491.2167.2-97-26.6000110.1S1149S1149-N1151 VanDerWaalsContact C-N 3.32Å; S1149-N1151 PolarHBondContact O-N 3.31Å
1152S28.6Very low25.2Very low100 Ų100124.4 Ų124.470%0.69972%0.72SS**  trans-127.3118161.561.60000109.4D1150D1150-S1152 VanDerWaalsContact C-N 3.33Å; D1150-S1152 PolarHBondContact O-N 2.91Å
1153G25.4Very low25.5Very low85 Ų85123.9 Ų123.988%0.87672%0.717SS**  trans-76.8130.9-169.300000112.9
1154R26.5Very low25.7Very low247 Ų247124.6 Ų124.693%0.93273%0.731SS**  trans-124106.3153.4-112.9-179.5177174.3-0.2110.4V1156R1154-V1156 PolarHBondContact O-N 3.15Å
1155S23.4Very low26Very low97 Ų97127.2 Ų127.268%0.67874%0.739SS**  trans-54.2126.2174.21410000111.2
1156V26.1Very low26.2Very low132 Ų132124.7 Ų124.780%0.874%0.737SS**  trans-124.2106147.4-178.70000106.7R1154 V1158R1154-V1156 PolarHBondContact O-N 3.15Å; V1156-V1158 PolarHBondContact O-N 3.28Å
1157H24Very low26.5Very low168 Ų168127.8 Ų127.878%0.77875%0.752SS**  trans-68.1122.9172.8-83.4-93000110
1158V27.3Very low26.6Very low130 Ų130126.5 Ų126.579%0.78875%0.747SS**  trans-118.295153.1-178.50000106.8V1156 L1160V1156-V1158 PolarHBondContact O-N 3.28Å; V1158-L1160 PolarHBondContact O-N 2.68Å
1159A27.2Very low26.8Very low75 Ų75129.2 Ų129.262%0.6276%0.764SS**  trans-82.1111-177.600000110.4K1161A1159-K1161 PolarHBondContact O-N 3.28Å
1160L23.6Very low27Very low175 Ų175128.6 Ų128.692%0.91676%0.76SS**  trans-69.180.3163.4-74.7170.8000109.4V1158 T1162V1158-L1160 PolarHBondContact O-N 2.68Å; L1160-T1162 PolarHBondContact O-N 3.22Å
1161K27.3Very low27.2Very low183 Ų183130.4 Ų130.480%0.79677%0.774SS**  trans-74.3109.7166.6-86.4-167.9172.8-174.60109.3A1159A1159-K1161 PolarHBondContact O-N 3.28Å
1162T24.4Very low27.5Very low133 Ų133129.9 Ų129.982%0.81677%0.766SS**  trans-57.4138.4147.343.80000108.8L1160L1160-T1162 PolarHBondContact O-N 3.22Å
1163N30.1Very low27.8Very low160 Ų160133 Ų13386%0.85677%0.769SS**  trans-152.9118.1163.2-127.526.5000108.5
1164S28.7Very low28.2Very low95 Ų95134.7 Ų134.766%0.66476%0.758SS**  trans-96.5154.5176.345.20000110.9
1165N29.1Very low28.7Very low163 Ų163129.5 Ų129.587%0.87275%0.748SS**  trans70.4123.5160.9-53.1-16.1000119.1
1166G29.9Very low29.1Very low68 Ų68129.5 Ų129.570%0.70175%0.749SS**  trans112.8115.7131.400000118.1
1167S29.4Very low29.5Very low116 Ų116129.4 Ų129.481%0.81175%0.748SS**  trans34.4138.2134.556.10000120.7
1168S26.7Very low30Very low95 Ų95125.8 Ų125.866%0.66474%0.742SS**  cis177.9-175.80.745.80000108.4
1169I30.3Very low30.3Very low144 Ų144125.3 Ų125.374%0.73874%0.74SS**  trans71.695.6164.9-62.9167000112.6
1170S27.5Very low30.5Very low101 Ų101128 Ų12871%0.70675%0.748SS**  62.8139.786.273.80000114
1171T32Very low31.1Very low105 Ų105124.7 Ų124.764%0.64474%0.737SS**  cis-135158.836.249.60000113.3
1172Q30.4Very low31.4Very low155 Ų155123.1 Ų123.172%0.72474%0.737SS**  46.4142.3105.6-45.9175-106.200115.4
1173E35.1Very low31.8Very low166 Ų166120.7 Ų120.778%0.77673%0.726SS**  cis-137.5133.225.9-66.3172.9152.400108.9
1174D33.8Very low31.9Very low121 Ų121119.9 Ų119.965%0.64772%0.721SS**  98150.683.2-73.95.2000112.5
1175L35.7Very low32Very low137 Ų137120 Ų12072%0.71773%0.728SS**  cis-160.2148.6-6-119166.4000110.9
1176S33.4Very low32.1Very low98 Ų98117.2 Ų117.269%0.68572%0.722SS**  trans63.9151.1148.171.20000119.6
1177T34.4Very low32.1Very low130 Ų130122.2 Ų122.280%0.79873%0.731SS**  cis-167.7161.5-9.715.90000107.2
1178S33.5Very low31.9Very low91 Ų91122.8 Ų122.864%0.63674%0.735SS**  cis-165.3163.63.145.20000111.5
1179T33.5Very low31.9Very low121 Ų121121.8 Ų121.874%0.74274%0.74SS**  trans54.9113.2153.249.80000119.4
1180V31.7Very low31.6Very low130 Ų130121 Ų12179%0.78875%0.747SS**  cis71.8137.916.2-168.20000115
1181P36.8Very low31.5Very low107 Ų107123.9 Ų123.970%0.69575%0.754SS**  cis-112.8-166.9-16.141.5-27000111.4
1182D32.8Very low31.1Very low149 Ų149124.5 Ų124.580%0.79776%0.762SS**  cis-160.8-177.815.4-130.2-34.5000107.5
1183S33.7Very low30.9Very low82 Ų82122.7 Ų122.757%0.57376%0.762SS**  cis-153-168.3-0.665.40000111.6
1184D31.8Very low30.4Very low143 Ų143120.2 Ų120.277%0.76576%0.763SS**  trans48.5103.8155.2-59.9-52000122.2
1185A31.4Very low29.9Very low98 Ų98120.7 Ų120.781%0.8177%0.765SS**  trans37.5132.8131.200000121.9
1186S29.9Very low29.3Very low105 Ų105120 Ų12073%0.73477%0.772SS**  cis-161.9134.8-0.751.70000114.6
1187L30.3Very low28.9Very low173 Ų173119.3 Ų119.391%0.90677%0.767SS**  trans41.388.1144.3-65.4167.6000118.9
1188S25.1Very low28.4Very low127 Ų127125 Ų12589%0.88877%0.774SS**  trans-74.2139.6145.252.50000110.1
1189G27.3Very low28Very low75 Ų75126.5 Ų126.577%0.77378%0.779SS**  trans-141.2127.1-174.200000112.3
1190S24Very low27.6Very low126 Ų126125 Ų12588%0.88177%0.773SS**  trans-73.1136.9-173.550.30000113.7
1191L25.7Very low27.3Very low163 Ų163123.6 Ų123.685%0.85377%0.768SS**  trans-144.8124.9157.5-105.3171.5000110.1
1192S22.8Very low26.7Very low117 Ų117126.2 Ų126.282%0.81876%0.764SS**  trans-77.2122.5-177.153.70000112
1193V26.2Very low26.4Very low118 Ų118127.9 Ų127.972%0.71577%0.767SS**  trans-107.8114171.6-178.80000109.9N1195V1193-N1195 PolarHBondContact O-N 3.3Å; V1193-N1195 VanDerWaalsContact O-N 3.09Å
1194S23.7Very low25.9Very low113 Ų113128.4 Ų128.479%0.7977%0.771SS**  trans-78.585.3176.155.90000111.1S1196S1194-S1196 PolarHBondContact O-N 3.24Å
1195N24.6Very low25.6Very low131 Ų131126.5 Ų126.570%0.70177%0.768SS**  trans-73.185176.8-85.9-10000112.1V1193 S1197V1193-N1195 PolarHBondContact O-N 3.3Å; V1193-N1195 VanDerWaalsContact O-N 3.09Å; N1195-S1197 VanDerWaalsContact O-N 3.08Å; N1195-S1197 PolarHBondContact O-N 3.47Å
1196S23.4Very low25.3Very low122 Ų122130.6 Ų130.685%0.85377%0.77SS**  trans-81.959.7167.565.10000111.4S1194S1194-S1196 PolarHBondContact O-N 3.24Å
1197S24.9Very low25Very low84 Ų84136.7 Ų136.759%0.58778%0.776SS**  trans-98.699176.952.80000110.7N1195 V1199N1195-S1197 VanDerWaalsContact O-N 3.08Å; N1195-S1197 PolarHBondContact O-N 3.47Å; S1197-V1199 PolarHBondContact O-N 3.34Å; S1197-V1199 VanDerWaalsContact O-N 3.14Å
1198R24.2Very low24.8Very low250 Ų250133.4 Ų133.494%0.94377%0.768SS**  trans-63.6111.2164.3-82.2-178.8167174.2-6108.5S1200R1198-S1200 PolarHBondContact O-N 3.1Å
1199V25.4Very low24.9Very low123 Ų123132 Ų13275%0.74576%0.758SS**  trans-74.1107175.7178.50000108.4S1197S1197-V1199 PolarHBondContact O-N 3.34Å; S1197-V1199 VanDerWaalsContact O-N 3.14Å
1200S24.4Very low24.8Very low88 Ų88138.4 Ų138.462%0.61577%0.765SS**  trans-82.5114.1164510000108.8R1198 R1202R1198-S1200 PolarHBondContact O-N 3.1Å; S1200-R1202 PolarHBondContact O-N 3.47Å
1201C24Very low24.8Very low102 Ų102140.1 Ų140.169%0.68975%0.752SS**  trans-7076174.2-66.50000110.7
1202R24.7Very low24.8Very low162 Ų162138 Ų13861%0.61175%0.746SS**  trans-82.3122.7167.6-74.7-169.8172.5-164.2-0.2109.3E1140 S1200 S1204E1140-R1202 PolarHBondContact OE2-NH2 3.47Å; E1140-R1202 IonicContact OE2-NH2 3.12Å; E1140-R1202 PolarHBondContact OE1-NH2 3.12Å; E1140-R1202 IonicContact OE1-NE 3.15Å; E1140-R1202 IonicContact OE1-NH2 2.79Å; E1140-R1202 IonicContact OE1-CZ 2.77Å; S1200-R1202 PolarHBondContact O-N 3.47Å; R1202-S1204 PolarHBondContact O-N 3.42Å; R1202-S1204 VanDerWaalsContact O-N 3.14Å
1203Q26.3Very low24.9Very low183 Ų183139 Ų13986%0.85574%0.741SS**  trans-52116.5171.2-65.9158.2-37.300109.5
1204S23.8Very low25Very low93 Ų93139.7 Ų139.765%0.6574%0.74SS**  trans-129.317.4-173.957.20000114.7R1202 H1206R1202-S1204 PolarHBondContact O-N 3.42Å; R1202-S1204 VanDerWaalsContact O-N 3.14Å; S1204-H1206 PolarHBondContact O-N 3.21Å
1205C25.7Very low25.2Very low104 Ų104140 Ų14070%0.70374%0.737SS**  trans-86.331.3174.7-56.20000113.5
1206H25.3Very low25.4Very low184 Ų184137.9 Ų137.985%0.85273%0.728SS**  trans-126.147.7166.7-89.47.6000110.8S1204S1204-H1206 PolarHBondContact O-N 3.21Å
1207R24.1Very low25.6Very low232 Ų232137.9 Ų137.988%0.87572%0.719SS**  trans-9567.8151.6-79.6-172.8169.3-173.6-1.1109.3S1209R1207-S1209 PolarHBondContact O-N 2.81Å
1208S25.1Very low25.7Very low104 Ų104137.3 Ų137.373%0.72771%0.713SS**  trans-57.3114.6157.5420000107.3K1210S1208-K1210 PolarHBondContact O-N 3.05Å
1209S26.7Very low25.9Very low97 Ų97132.5 Ų132.568%0.67870%0.701SS**  trans-67.8112-166.5-157.40000109.4R1207 R1211R1207-S1209 PolarHBondContact O-N 2.81Å; S1209-R1211 PolarHBondContact O-N 2.75Å
1210K24.9Very low26.1Very low210 Ų210137.5 Ų137.591%0.91371%0.708SS**  trans-74.749.3168.1-71-170.6175.1-175.20111.1S1208S1208-K1210 PolarHBondContact O-N 3.05Å
1211R25.6Very low26.4Very low162 Ų162143.3 Ų143.361%0.61172%0.717SS**  trans-62.3137.9144.6-79.9-169.7174.4-169.81.1106.2S886 S1209 L1213S886-R1211 PolarHBondContact O-NH1 3.26Å; S1209-R1211 PolarHBondContact O-N 2.75Å; R1211-L1213 PolarHBondContact O-N 2.83Å
1212T25.1Very low26.6Very low119 Ų119146.6 Ų146.673%0.7371%0.714SS**  trans-72.299.1-173.2-51.80000109.1I1214T1212-I1214 VanDerWaalsContact C-N 3.27Å; T1212-I1214 PolarHBondContact O-N 3.08Å; T1212-I1214 HydrophobicContact CG2-CG1 4.03Å
1213L25.4Very low27Very low138 Ų138146.8 Ų146.872%0.72373%0.728SS**  trans-59.297.5160.2-94.8167.2000107.5R1211 V1215R1211-L1213 PolarHBondContact O-N 2.83Å; L1213-V1215 HydrophobicContact CB-CG2 4.49Å; L1213-V1215 PolarHBondContact O-N 2.86Å
1214I26.9Very low27.5Very low133 Ų133142 Ų14268%0.68272%0.72SS**  trans-73.380.2170.2-57.2-179.4000106.1T1212 T1216T1212-I1214 VanDerWaalsContact C-N 3.27Å; T1212-I1214 PolarHBondContact O-N 3.08Å; T1212-I1214 HydrophobicContact CG2-CG1 4.03Å; I1214-T1216 VanDerWaalsContact C-N 3.31Å; I1214-T1216 HydrophobicContact CG2-CG2 4.1Å; I1214-T1216 PolarHBondContact O-N 2.96Å
1215V28.6Very low28Very low120 Ų120147.1 Ų147.173%0.72775%0.75SS**  trans-62.199.4166.2178.20000106.2L1213 N1217L1213-V1215 HydrophobicContact CB-CG2 4.49Å; L1213-V1215 PolarHBondContact O-N 2.86Å; V1215-N1217 PolarHBondContact O-N 2.98Å
1216T28.9Very low28.1Very low85 Ų85149.3 Ų149.352%0.52175%0.753SS.*  trans-71.174.3-177.549.10000110.2I1214 P1218I1214-T1216 VanDerWaalsContact C-N 3.31Å; I1214-T1216 HydrophobicContact CG2-CG2 4.1Å; I1214-T1216 PolarHBondContact O-N 2.96Å; T1216-P1218 WeakPolarHBondContact O-CD 3.34Å; T1216-P1218 VanDerWaalsContact O-N 3.1Å
1217N26.7Very low28.3Very low122 Ų122147.4 Ų147.465%0.65275%0.748SS**  trans-61.7108.1178.2-174.8-7.8000109.5V1215 H1219V1215-N1217 PolarHBondContact O-N 2.98Å; N1217-H1219 PolarHBondContact O-N 3.27Å
1218P27.8Very low28.5Very low73 Ų73142.7 Ų142.747%0.47474%0.74SS.*  trans-87.637.9-163.536.9-35.4000112.5T1216T1216-P1218 WeakPolarHBondContact O-CD 3.34Å; T1216-P1218 VanDerWaalsContact O-N 3.1Å
1219H27.8Very low28.7Very low149 Ų149145 Ų14569%0.6974%0.741SS**  trans-139.384.3-175.9-78.7-42.2000113N1217N1217-H1219 PolarHBondContact O-N 3.27Å
1220Y30.8Very low28.8Very low227 Ų227148 Ų14889%0.8975%0.745SS**  trans-142.792150.2-106.7-77.6000110.6
1221R30.4Very low29.1Very low211 Ų211143.9 Ų143.980%0.79673%0.734SS**  trans-64.3140161.6-86.9-176.9162.7175.7-7.5108.5E1009E1009-R1221 IonicContact OE1-NH2 3.53Å; E1009-R1221 PolarHBondContact OE1-NH2 3.18Å
1222R29Very low29.3Very low170 Ų170142.6 Ų142.664%0.64274%0.743SS**  trans-63.2138159.7-76.2-174.9178.8151.27.5109.3E1020E1020-R1222 IonicContact OE1-CZ 3.81Å; E1020-R1222 IonicContact OE1-NH1 2.71Å; E1020-R1222 PolarHBondContact OE1-NH1 3.48Å; E1020-R1222 IonicContact OE1-NH2 3.62Å; E1020-R1222 PolarHBondContact OE1-NH2 3.3Å; E1020-R1222 IonicContact OE2-CZ 2.84Å; E1020-R1222 IonicContact OE2-NH1 2.74Å; E1020-R1222 PolarHBondContact OE2-NH1 2.99Å; E1020-R1222 IonicContact OE2-NH2 3.12Å; E1020-R1222 PolarHBondContact OE2-NH2 3.46Å
1223N32.8Very low29.6Very low167 Ų167144.4 Ų144.489%0.89374%0.744SS**  trans-148.7120.5133.6-96.9-21.4000106.5
1224A35.9Very low30Very low83 Ų83144.9 Ų144.969%0.68675%0.746SS**  trans-90175.9174.400000109.2
1225P34.3Very low30.3Very low199 Ų199146 Ų146100%1.29275%0.751SS**  cis-66012.428.6-36.7000114.7

Retrieved 1,225 of 1,225 residues in 885.5 ms (Link to these results)

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