A0A087Y3I1_POEFO Loading...

Arachidonate 5-lipoxygenase-activating protein

Required for leukotriene biosynthesis by ALOX5 (5-lipoxygenase). Anchors ALOX5 to the membrane. Binds arachidonic acid, and could play an essential role in the transfer of arachidonic acid to ALOX5. Binds to MK-886, a compound that blocks the biosynthesis of leukotrienes.

AlphaFold DB , UniProt , Accession A0A087Y3I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 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
1M59.5Low78.6Confident197 Ų197114.5 Ų114.597%0.9759%0.591SS**  0-35.80-157.6159.769.800112.3
2E61.3Low79.9Confident166 Ų166111.3 Ų111.378%0.77658%0.575SS**Hα-helixtrans-67.4-36.8176.8-65.1-168150.200114.7C4 K5 V6E2-C4 VanDerWaalsContact C-N 3.3Å; E2-C4 PolarHBondContact O-N 3.5Å; E2-K5 PolarHBondContact O-N 3.35Å; E2-K5 VanDerWaalsContact O-N 3.16Å; E2-V6 PolarHBondContact O-N 3.31Å
3S63.9Low81.1Confident95 Ų95102.8 Ų102.866%0.66453%0.531SS*.Hα-helixtrans-60.6-35.3177.2-60.70000113.6K5 V6 V7S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.49Å; S3-V6 PolarHBondContact O-N 3.43Å; S3-V7 VanDerWaalsContact O-CG2 3.26Å; S3-V7 WeakPolarHBondContact O-CG2 3.49Å; S3-V7 PolarHBondContact O-N 2.91Å; S3-V7 VanDerWaalsContact O-N 3.09Å
4C71.3Confident82.1Confident83 Ų83100.1 Ų100.156%0.56152%0.521SS*.Hα-helixtrans-62.5-41.6176.1-78.20000111.7E2 V6 V7 E8E2-C4 VanDerWaalsContact C-N 3.3Å; E2-C4 PolarHBondContact O-N 3.5Å; C4-V6 PolarHBondContact O-N 3.48Å; C4-V7 PolarHBondContact O-N 2.7Å; C4-E8 WeakPolarHBondContact O-CG 3.48Å; C4-E8 PolarHBondContact O-N 2.88Å
5K78.9Confident83.1Confident131 Ų13197.1 Ų97.157%0.5751%0.509SS*.Hα-helixtrans-65.5-38.4179.8-67.2-176.5175.6-178.80112.5E2 S3 N9E2-K5 PolarHBondContact O-N 3.35Å; E2-K5 VanDerWaalsContact O-N 3.16Å; S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.49Å; K5-N9 PolarHBondContact O-N 3.23Å; K5-N9 PolarHBondContact O-ND2 3.11Å
6V82.1Confident84Confident91 Ų9191.3 Ų91.355%0.55248%0.479SS*.Hα-helixtrans-66.8-42.7176.1178.20000110.6E2 S3 C4 E8 N9 I10E2-V6 PolarHBondContact O-N 3.31Å; S3-V6 PolarHBondContact O-N 3.43Å; C4-V6 PolarHBondContact O-N 3.48Å; V6-E8 PolarHBondContact O-N 3.35Å; V6-N9 PolarHBondContact O-N 3.23Å; V6-I10 PolarHBondContact O-N 2.7Å
7V85.1Confident84.7Confident74 Ų7487.6 Ų87.645%0.44846%0.461SS..Hα-helixtrans-62.3-42.4178.8172.50000111.2S3 C4 N9 I10 Y11S3-V7 VanDerWaalsContact O-CG2 3.26Å; S3-V7 WeakPolarHBondContact O-CG2 3.49Å; S3-V7 PolarHBondContact O-N 2.91Å; S3-V7 VanDerWaalsContact O-N 3.09Å; C4-V7 PolarHBondContact O-N 2.7Å; V7-N9 VanDerWaalsContact C-N 3.27Å; V7-N9 PolarHBondContact O-N 2.9Å; V7-I10 WeakPolarHBondContact O-CG1 3.32Å; V7-I10 PolarHBondContact O-N 3.47Å; V7-I10 VanDerWaalsContact O-N 3.09Å; V7-Y11 HydrophobicContact CG1-CD2 4.35Å; V7-Y11 WeakPolarHBondContact O-CB 3.33Å; V7-Y11 PolarHBondContact O-N 3.42Å
8E86.9Confident85.4Confident126 Ų12688.7 Ų88.759%0.58947%0.466SS*.Hα-helixtrans-54.2-44.2175.8-75.5167.7-17500111.7C4 V6 I10 Y11 Q75C4-E8 WeakPolarHBondContact O-CG 3.48Å; C4-E8 PolarHBondContact O-N 2.88Å; V6-E8 PolarHBondContact O-N 3.35Å; E8-I10 PolarHBondContact O-N 2.88Å; E8-Y11 PolarHBondContact O-N 3.02Å; E8-Q75 PolarHBondContact O-NE2 3.37Å; E8-Q75 PolarHBondContact O-OE1 3.37Å
9N88.4Confident86.1Confident105 Ų10587.9 Ų87.956%0.56146%0.462SS*.Hα-helixtrans-71-12.1-179.3-66.7-28.1000114.8K5 V6 V7 Q75K5-N9 PolarHBondContact O-N 3.23Å; K5-N9 PolarHBondContact O-ND2 3.11Å; V6-N9 PolarHBondContact O-N 3.23Å; V7-N9 VanDerWaalsContact C-N 3.27Å; V7-N9 PolarHBondContact O-N 2.9Å; N9-Q75 VanDerWaalsContact C-NE2 3.28Å; N9-Q75 WeakPolarHBondContact O-CG 3.47Å; N9-Q75 PolarHBondContact O-NE2 3.43Å; N9-Q75 PolarHBondContact O-OE1 3.49Å
10I93.6Very high86.6Confident48 Ų4883.6 Ų83.625%0.24644%0.439CS..Hα-helixtrans-117.9-10.8177.265.7172.8000113.2V6 V7 E8 L12 L13 V14 W67 Q75V6-I10 PolarHBondContact O-N 2.7Å; V7-I10 WeakPolarHBondContact O-CG1 3.32Å; V7-I10 PolarHBondContact O-N 3.47Å; V7-I10 VanDerWaalsContact O-N 3.09Å; E8-I10 PolarHBondContact O-N 2.88Å; I10-L12 PolarHBondContact O-N 3.43Å; I10-L13 WeakPolarHBondContact O-CB 3.28Å; I10-L13 PolarHBondContact O-N 3.01Å; I10-V14 HydrophobicContact CD1-CG2 4.46Å; I10-V14 HydrophobicContact CG1-CG2 4.36Å; I10-V14 PolarHBondContact O-N 3.27Å; I10-W67 HydrophobicContact CB-CZ3 4.29Å; I10-W67 HydrophobicContact CG2-CZ3 4.41Å; I10-Q75 VanDerWaalsContact C-NE2 3.28Å
11Y93.5Very high87.1Confident144 Ų14482.7 Ų82.757%0.56544%0.437SS*.Hα-helixtrans-52.7-46.7-171.9-166.5-100.2000113.8V7 E8 L13 V14 V15V7-Y11 HydrophobicContact CG1-CD2 4.35Å; V7-Y11 WeakPolarHBondContact O-CB 3.33Å; V7-Y11 PolarHBondContact O-N 3.42Å; E8-Y11 PolarHBondContact O-N 3.02Å; Y11-L13 PolarHBondContact O-N 2.82Å; Y11-V14 WeakPolarHBondContact O-CB 3.22Å; Y11-V14 PolarHBondContact O-N 2.96Å; Y11-V15 HydrophobicContact CD1-CG2 4.11Å; Y11-V15 HydrophobicContact CE1-CG2 3.84Å; Y11-V15 WeakPolarHBondContact O-CG2 3.34Å; Y11-V15 PolarHBondContact O-N 3.49Å
12L94.1Very high88.8Confident76 Ų7678.6 Ų78.640%0.39842%0.418SS..Hα-helixtrans-60.2-41.1176.3-60.8175.7000112.6I10 V14 V15 V16 Q75 A76 A79I10-L12 PolarHBondContact O-N 3.43Å; L12-V14 VanDerWaalsContact C-N 3.32Å; L12-V14 PolarHBondContact O-N 3.48Å; L12-V15 PolarHBondContact O-N 3.39Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.09Å; L12-Q75 HydrophobicContact CB-CG 4.02Å; L12-Q75 HydrophobicContact CD1-CG 4.2Å; L12-Q75 HydrophobicContact CG-CG 4.42Å; L12-A76 HydrophobicContact CD1-CB 4.49Å; L12-A79 HydrophobicContact CB-CB 3.66Å
13L95.6Very high90.4Very high0 Ų071.6 Ų71.60%039%0.386CS..Hα-helixtrans-65.1-38.8177-81.975.7000111.3I10 Y11 V15 V16 T17 W67 Q75I10-L13 WeakPolarHBondContact O-CB 3.28Å; I10-L13 PolarHBondContact O-N 3.01Å; Y11-L13 PolarHBondContact O-N 2.82Å; L13-V15 VanDerWaalsContact C-N 3.35Å; L13-V16 PolarHBondContact O-N 3.42Å; L13-T17 WeakPolarHBondContact O-CB 3.29Å; L13-T17 PolarHBondContact O-N 3.49Å; L13-T17 PolarHBondContact O-OG1 3.37Å; L13-W67 HydrophobicContact CB-CH2 4.42Å; L13-W67 HydrophobicContact CB-CZ2 4.27Å; L13-W67 HydrophobicContact CD2-CB 4.47Å; L13-W67 HydrophobicContact CD2-CD2 3.94Å; L13-W67 HydrophobicContact CD2-CE3 3.92Å; L13-W67 HydrophobicContact CD2-CG 4.2Å; L13-W67 HydrophobicContact CD2-CZ3 4.48Å; L13-Q75 HydrophobicContact CD1-CB 4.11Å; L13-Q75 HydrophobicContact CD1-CG 3.33Å
14V96Very high91.9Very high65 Ų6568 Ų6839%0.39436%0.359SS..Hα-helixtrans-62-45.1175.3176.20000110.2I10 Y11 L12 V16 T17 L18 W67I10-V14 HydrophobicContact CD1-CG2 4.46Å; I10-V14 HydrophobicContact CG1-CG2 4.36Å; I10-V14 PolarHBondContact O-N 3.27Å; Y11-V14 WeakPolarHBondContact O-CB 3.22Å; Y11-V14 PolarHBondContact O-N 2.96Å; L12-V14 VanDerWaalsContact C-N 3.32Å; L12-V14 PolarHBondContact O-N 3.48Å; V14-V16 PolarHBondContact O-N 3.21Å; V14-T17 PolarHBondContact O-N 2.97Å; V14-L18 PolarHBondContact O-N 3.3Å; V14-W67 HydrophobicContact CG2-CH2 3.85Å; V14-W67 HydrophobicContact CG2-CZ2 4.22Å
15V96.1Very high92.9Very high56 Ų5667.6 Ų67.634%0.33935%0.354SS..Hα-helixtrans-59.1-48.4175.9171.50000111Y11 L12 L13 T17 L18 I19Y11-V15 HydrophobicContact CD1-CG2 4.11Å; Y11-V15 HydrophobicContact CE1-CG2 3.84Å; Y11-V15 WeakPolarHBondContact O-CG2 3.34Å; Y11-V15 PolarHBondContact O-N 3.49Å; L12-V15 PolarHBondContact O-N 3.39Å; L13-V15 VanDerWaalsContact C-N 3.35Å; V15-T17 VanDerWaalsContact C-N 3.31Å; V15-T17 PolarHBondContact O-N 2.99Å; V15-L18 PolarHBondContact O-N 3.02Å; V15-I19 HydrophobicContact CG1-CD1 3.92Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.33Å; V15-I19 PolarHBondContact O-N 3.31Å
16V97.2Very high93.6Very high4 Ų465.9 Ų65.92%0.02435%0.346CS..Hα-helixtrans-61.4-41.4177.4-179.40000111.4L12 L13 V14 L18 I19 S20 F62 M66 A79 I83 L86L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.09Å; L13-V16 PolarHBondContact O-N 3.42Å; V14-V16 PolarHBondContact O-N 3.21Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.47Å; V16-I19 PolarHBondContact O-N 3.48Å; V16-S20 PolarHBondContact O-N 3.27Å; V16-F62 HydrophobicContact CG1-CZ 4.44Å; V16-M66 HydrophobicContact CB-CE 4.49Å; V16-M66 HydrophobicContact CB-SD 4.02Å; V16-M66 HydrophobicContact CG1-CE 4.32Å; V16-M66 HydrophobicContact CG1-SD 3.54Å; V16-M66 VanDerWaalsContact CG1-SD 3.54Å; V16-A79 HydrophobicContact CG2-CB 3.99Å; V16-I83 HydrophobicContact CG1-CD1 4.4Å; V16-I83 HydrophobicContact CG2-CD1 3.77Å; V16-I83 HydrophobicContact CG2-CG1 3.86Å; V16-L86 HydrophobicContact CG1-CD1 3.93Å
17T97.3Very high94Very high28 Ų2861.5 Ų61.517%0.17232%0.32CS..Hα-helixtrans-63.2-40.3177.6-56.30000111.4L13 V14 V15 S20 V21 L63 M66 W67L13-T17 WeakPolarHBondContact O-CB 3.29Å; L13-T17 PolarHBondContact O-N 3.49Å; L13-T17 PolarHBondContact O-OG1 3.37Å; V14-T17 PolarHBondContact O-N 2.97Å; V15-T17 VanDerWaalsContact C-N 3.31Å; V15-T17 PolarHBondContact O-N 2.99Å; T17-S20 WeakPolarHBondContact CA-OG 3.43Å; T17-S20 PolarHBondContact O-N 3.46Å; T17-S20 PolarHBondContact O-OG 3.22Å; T17-V21 WeakPolarHBondContact O-CG2 3.45Å; T17-V21 PolarHBondContact O-N 3.17Å; T17-L63 HydrophobicContact CG2-CD1 3.84Å; T17-M66 WeakPolarHBondContact OG1-CE 3.28Å; T17-W67 PolarHBondContact OG1-NE1 3.3Å; T17-W67 VanDerWaalsContact OG1-NE1 3.1Å
18L97.3Very high94.3Very high108 Ų10860.2 Ų60.257%0.56532%0.317SS*.Hα-helixtrans-65.6-43.5177-175.262.6000111.3V14 V15 V16 S20 V21 L22V14-L18 PolarHBondContact O-N 3.3Å; V15-L18 PolarHBondContact O-N 3.02Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.47Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.24Å; L18-V21 PolarHBondContact O-N 3.16Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.19Å
19I97.1Very high94.4Very high74 Ų7458.4 Ų58.438%0.37931%0.308SS..Hα-helixtrans-61.1-40.3175.5-63.1165.6000110.4V15 V16 V21 L22 Q23 I83 L86V15-I19 HydrophobicContact CG1-CD1 3.92Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.33Å; V15-I19 PolarHBondContact O-N 3.31Å; V16-I19 PolarHBondContact O-N 3.48Å; I19-V21 PolarHBondContact O-N 2.93Å; I19-L22 PolarHBondContact O-N 3.18Å; I19-Q23 PolarHBondContact O-N 2.98Å; I19-I83 HydrophobicContact CD1-CD1 3.9Å; I19-L86 HydrophobicContact CB-CD1 4.06Å; I19-L86 HydrophobicContact CG2-CD1 3.76Å
20S96.3Very high94.4Very high0 Ų056.3 Ų56.30%029%0.294CS..Hα-helixtrans-68.3-34.1179.172.80000113.1V16 T17 L18 Q23 N24 Y59 L86V16-S20 PolarHBondContact O-N 3.27Å; T17-S20 WeakPolarHBondContact CA-OG 3.43Å; T17-S20 PolarHBondContact O-N 3.46Å; T17-S20 PolarHBondContact O-OG 3.22Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.24Å; S20-Q23 PolarHBondContact O-N 3.42Å; S20-N24 VanDerWaalsContact O-CG 3.3Å; S20-N24 PolarHBondContact O-N 3.46Å; S20-N24 PolarHBondContact O-OD1 3.3Å; S20-Y59 WeakPolarHBondContact OG-CE2 3.26Å; S20-Y59 PolarHBondContact OG-OH 3.4Å; S20-L86 VanDerWaalsContact CB-CD2 3.4Å
21V96.8Very high94.1Very high65 Ų6555 Ų5539%0.39429%0.289SS..Hα-helixtrans-64.2-46171.3170.40000110.9T17 L18 I19 Q23 N24 V25T17-V21 WeakPolarHBondContact O-CG2 3.45Å; T17-V21 PolarHBondContact O-N 3.17Å; L18-V21 PolarHBondContact O-N 3.16Å; I19-V21 PolarHBondContact O-N 2.93Å; V21-Q23 VanDerWaalsContact C-N 3.28Å; V21-Q23 PolarHBondContact O-N 3.44Å; V21-N24 WeakPolarHBondContact O-CB 3.36Å; V21-N24 PolarHBondContact O-N 3.24Å; V21-N24 VanDerWaalsContact O-N 3.11Å; V21-V25 WeakPolarHBondContact O-CG2 3.33Å; V21-V25 PolarHBondContact O-N 2.83Å
22L96.3Very high93.7Very high112 Ų11252.8 Ų52.859%0.58628%0.283SS*.Hα-helixtrans-60-40.2175.7-67.4174.2000111.6L18 I19 N24 V25 F26L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.19Å; I19-L22 PolarHBondContact O-N 3.18Å; L22-N24 PolarHBondContact O-N 3.5Å; L22-V25 PolarHBondContact O-N 3.09Å; L22-F26 PolarHBondContact O-N 3.25Å
23Q95.1Very high93.3Very high19 Ų1956.7 Ų56.79%0.08929%0.293CS..Hα-helixtrans-62.6-40.4174.4-171.2-178.551.500112.3I19 S20 V21 F26 F27 L86I19-Q23 PolarHBondContact O-N 2.98Å; S20-Q23 PolarHBondContact O-N 3.42Å; V21-Q23 VanDerWaalsContact C-N 3.28Å; V21-Q23 PolarHBondContact O-N 3.44Å; Q23-F26 PolarHBondContact O-N 2.94Å; Q23-F27 HydrophobicContact CG-CD2 4.36Å; Q23-F27 HydrophobicContact CG-CE1 3.98Å; Q23-F27 HydrophobicContact CG-CE2 3.74Å; Q23-F27 HydrophobicContact CG-CZ 3.51Å; Q23-F27 WeakPolarHBondContact O-CG 3.41Å; Q23-F27 PolarHBondContact O-N 3.02Å; Q23-L86 PolarHBondContact NE2-O 2.77Å
24N94Very high92.6Very high20 Ų2058.1 Ų58.111%0.10730%0.299CS..Hα-helixtrans-61.6-44.1175.7-75.9-5.8000112.2S20 V21 L22 F26 F27 A28 M56 Y59 R89S20-N24 VanDerWaalsContact O-CG 3.3Å; S20-N24 PolarHBondContact O-N 3.46Å; S20-N24 PolarHBondContact O-OD1 3.3Å; V21-N24 WeakPolarHBondContact O-CB 3.36Å; V21-N24 PolarHBondContact O-N 3.24Å; V21-N24 VanDerWaalsContact O-N 3.11Å; L22-N24 PolarHBondContact O-N 3.5Å; N24-F26 VanDerWaalsContact C-N 3.33Å; N24-F27 PolarHBondContact O-N 3.19Å; N24-A28 PolarHBondContact O-N 3.23Å; N24-M56 HydrophobicContact CB-CE 3.85Å; N24-Y59 VanDerWaalsContact ND2-CE1 3.33Å; N24-Y59 WeakPolarHBondContact ND2-CE1 3.45Å; N24-R89 PolarHBondContact OD1-NH1 3.03Å; N24-R89 PolarHBondContact OD1-NH2 2.96Å
25V94.3Very high91.7Very high74 Ų7458.8 Ų58.845%0.44831%0.306SS..Hα-helixtrans-62.3-43.7176.2174.70000110.4V21 L22 F27 A28 Q29V21-V25 WeakPolarHBondContact O-CG2 3.33Å; V21-V25 PolarHBondContact O-N 2.83Å; L22-V25 PolarHBondContact O-N 3.09Å; V25-F27 PolarHBondContact O-N 3.31Å; V25-A28 PolarHBondContact O-N 3.41Å; V25-Q29 HydrophobicContact CG1-CG 4.33Å; V25-Q29 WeakPolarHBondContact O-CB 3.4Å; V25-Q29 WeakPolarHBondContact O-CG 3.4Å; V25-Q29 PolarHBondContact O-N 3.04Å
26F92.6Very high90.8Very high94 Ų9463 Ų6341%0.41232%0.319SS..Hα-helixtrans-59.6-44.2177.1176.3-99.5000112.4L22 Q23 N24 Q29 K30L22-F26 PolarHBondContact O-N 3.25Å; Q23-F26 PolarHBondContact O-N 2.94Å; N24-F26 VanDerWaalsContact C-N 3.33Å; F26-Q29 PolarHBondContact O-N 2.94Å; F26-K30 WeakPolarHBondContact O-CB 3.17Å; F26-K30 PolarHBondContact O-N 3.46Å
27F91.5Very high89.7Confident0 Ų067.3 Ų67.30%034%0.343CS..Hα-helixtrans-64.2-44.2176.8-64.9-19.3000112.4Q23 N24 V25 Q29 K30 V31 N52 C55 R89 F93Q23-F27 HydrophobicContact CG-CD2 4.36Å; Q23-F27 HydrophobicContact CG-CE1 3.98Å; Q23-F27 HydrophobicContact CG-CE2 3.74Å; Q23-F27 HydrophobicContact CG-CZ 3.51Å; Q23-F27 WeakPolarHBondContact O-CG 3.41Å; Q23-F27 PolarHBondContact O-N 3.02Å; N24-F27 PolarHBondContact O-N 3.19Å; V25-F27 PolarHBondContact O-N 3.31Å; F27-Q29 PolarHBondContact O-N 2.91Å; F27-K30 PolarHBondContact O-N 3.43Å; F27-V31 VanDerWaalsContact O-CG2 3.29Å; F27-V31 WeakPolarHBondContact O-CG2 3.38Å; F27-V31 PolarHBondContact O-N 3.4Å; F27-N52 WeakPolarHBondContact CB-OD1 3.38Å; F27-C55 HydrophobicContact CD2-CB 4.38Å; F27-C55 HydrophobicContact CE2-CB 4.38Å; F27-R89 HydrophobicContact CE2-CG 3.98Å; F27-R89 HydrophobicContact CZ-CG 4.34Å; F27-F93 HydrophobicContact CB-CD2 4.49Å; F27-F93 HydrophobicContact CB-CE2 3.99Å; F27-F93 HydrophobicContact CB-CZ 4.09Å; F27-F93 HydrophobicContact CD1-CB 4.32Å; F27-F93 AromaticContact CD1-CD1 3.55Å; F27-F93 HydrophobicContact CD1-CD1 3.55Å; F27-F93 AromaticContact CD1-CD2 3.85Å; F27-F93 HydrophobicContact CD1-CD2 3.85Å; F27-F93 AromaticContact CD1-CE1 3.67Å; F27-F93 HydrophobicContact CD1-CE1 3.67Å; F27-F93 AromaticContact CD1-CE2 3.97Å; F27-F93 HydrophobicContact CD1-CE2 3.97Å; F27-F93 AromaticContact CD1-CG 3.63Å; F27-F93 HydrophobicContact CD1-CG 3.63Å; F27-F93 AromaticContact CD1-CZ 3.88Å; F27-F93 HydrophobicContact CD1-CZ 3.88Å; F27-F93 HydrophobicContact CD2-CD2 4.23Å; F27-F93 HydrophobicContact CE1-CB 3.67Å; F27-F93 AromaticContact CE1-CD1 3.54Å; F27-F93 HydrophobicContact CE1-CD1 3.54Å; F27-F93 HydrophobicContact CE1-CD2 4.06Å; F27-F93 HydrophobicContact CE1-CE1 4.15Å; F27-F93 AromaticContact CE1-CG 3.48Å; F27-F93 HydrophobicContact CE1-CG 3.48Å; F27-F93 VanDerWaalsContact CE1-CG 3.48Å; F27-F93 HydrophobicContact CE2-CB 4.36Å; F27-F93 HydrophobicContact CE2-CD2 4.4Å; F27-F93 HydrophobicContact CE2-CG 4.42Å; F27-F93 HydrophobicContact CG-CD1 4.44Å; F27-F93 AromaticContact CG-CD2 3.95Å; F27-F93 HydrophobicContact CG-CD2 3.95Å; F27-F93 HydrophobicContact CG-CE1 4.41Å; F27-F93 AromaticContact CG-CE2 3.94Å; F27-F93 HydrophobicContact CG-CE2 3.94Å; F27-F93 HydrophobicContact CG-CG 4.21Å; F27-F93 HydrophobicContact CG-CZ 4.17Å; F27-F93 HydrophobicContact CZ-CB 3.69Å; F27-F93 HydrophobicContact CZ-CD1 4.41Å; F27-F93 HydrophobicContact CZ-CD2 4.33Å; F27-F93 AromaticContact CZ-CG 3.91Å; F27-F93 HydrophobicContact CZ-CG 3.91Å
28A90.1Very high87.7Confident46 Ų4677.8 Ų77.838%0.3838%0.379SS..Hα-helixtrans-60.8-46.417700000111.8N24 V25 K30 V31 E32N24-A28 PolarHBondContact O-N 3.23Å; V25-A28 PolarHBondContact O-N 3.41Å; A28-K30 VanDerWaalsContact C-N 3.28Å; A28-K30 PolarHBondContact O-N 3.31Å; A28-V31 PolarHBondContact O-N 3.22Å; A28-E32 PolarHBondContact O-N 3.16Å
29Q90.1Very high85.7Confident89 Ų8980.6 Ų80.642%0.41640%0.395SS..Hα-helixtrans-60.7-37.8175.6-74-179.5-12.300112V25 F26 F27 E32 R33V25-Q29 HydrophobicContact CG1-CG 4.33Å; V25-Q29 WeakPolarHBondContact O-CB 3.4Å; V25-Q29 WeakPolarHBondContact O-CG 3.4Å; V25-Q29 PolarHBondContact O-N 3.04Å; F26-Q29 PolarHBondContact O-N 2.94Å; F27-Q29 PolarHBondContact O-N 2.91Å; Q29-E32 PolarHBondContact O-N 3.45Å; Q29-R33 WeakPolarHBondContact O-CG 3.39Å; Q29-R33 PolarHBondContact O-N 3.32Å
30K87.4Confident83.7Confident61 Ų6179.3 Ų79.327%0.26539%0.39SS..Hα-helixtrans-67.4-42.4177.8-170.357169.7150.40111.4F26 F27 A28 E32 R33 E34 F93F26-K30 WeakPolarHBondContact O-CB 3.17Å; F26-K30 PolarHBondContact O-N 3.46Å; F27-K30 PolarHBondContact O-N 3.43Å; A28-K30 VanDerWaalsContact C-N 3.28Å; A28-K30 PolarHBondContact O-N 3.31Å; K30-E32 VanDerWaalsContact C-N 3.33Å; K30-E32 PolarHBondContact O-N 3.32Å; K30-R33 PolarHBondContact O-N 3.5Å; K30-E34 IonicContact NZ-OE1 3.8Å; K30-E34 PolarHBondContact NZ-OE1 2.97Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 2.97Å; K30-F93 HydrophobicContact CB-CE1 4.21Å; K30-F93 HydrophobicContact CB-CZ 4.22Å; K30-F93 HydrophobicContact CG-CE1 3.98Å; K30-F93 HydrophobicContact CG-CZ 4.25Å
31V86.9Confident82Confident21 Ų2183.1 Ų83.113%0.12742%0.417CS..Hα-helixtrans-59.1-44.8173.2176.30000110.9F27 A28 R33 E34 C35 F45 V48 N52F27-V31 VanDerWaalsContact O-CG2 3.29Å; F27-V31 WeakPolarHBondContact O-CG2 3.38Å; F27-V31 PolarHBondContact O-N 3.4Å; A28-V31 PolarHBondContact O-N 3.22Å; V31-R33 PolarHBondContact O-N 3.46Å; V31-E34 PolarHBondContact O-N 3.46Å; V31-C35 PolarHBondContact O-N 3.48Å; V31-F45 HydrophobicContact CG1-CE2 4.05Å; V31-V48 HydrophobicContact CB-CG1 4.39Å; V31-V48 HydrophobicContact CG2-CG1 3.74Å; V31-N52 HydrophobicContact CG2-CB 3.55Å
32E86.6Confident80.6Confident96 Ų9682.5 Ų82.545%0.44942%0.424SS..Hα-helixtrans-63.5-41.3-179.7-169.3-171.7166.900112.3A28 Q29 K30 C35 K36A28-E32 PolarHBondContact O-N 3.16Å; Q29-E32 PolarHBondContact O-N 3.45Å; K30-E32 VanDerWaalsContact C-N 3.33Å; K30-E32 PolarHBondContact O-N 3.32Å; E32-C35 WeakPolarHBondContact O-CB 3.32Å; E32-C35 PolarHBondContact O-N 2.93Å; E32-K36 PolarHBondContact O-N 2.99Å; E32-K36 WeakPolarHBondContact OE1-CE 3.49Å; E32-K36 IonicContact OE1-NZ 2.76Å; E32-K36 PolarHBondContact OE1-NZ 3.35Å
33R85.3Confident79.4Confident158 Ų15880 Ų8060%0.59642%0.415SS*.Hα-helixtrans-62.2-44.2176.4-73.2-178.2-156.9-165.56.8112.1Q29 K30 V31 C35 K36 N37Q29-R33 WeakPolarHBondContact O-CG 3.39Å; Q29-R33 PolarHBondContact O-N 3.32Å; K30-R33 PolarHBondContact O-N 3.5Å; V31-R33 PolarHBondContact O-N 3.46Å; R33-C35 VanDerWaalsContact C-N 3.26Å; R33-C35 PolarHBondContact O-N 2.93Å; R33-K36 PolarHBondContact O-N 3.42Å; R33-N37 PolarHBondContact O-N 2.95Å; R33-N37 VanDerWaalsContact O-N 3.13Å
34E81.3Confident78.4Confident31 Ų3180.5 Ų80.515%0.14542%0.423CS..Hα-helixtrans-67.9-27.2177-60-53.7154.900112.1K30 V31 F45 V48K30-E34 IonicContact NZ-OE1 3.8Å; K30-E34 PolarHBondContact NZ-OE1 2.97Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 2.97Å; V31-E34 PolarHBondContact O-N 3.46Å; E34-F45 HydrophobicContact CB-CD2 4.41Å; E34-V48 HydrophobicContact CG-CG2 4.36Å
35C76.1Confident77.8Confident78 Ų7882.9 Ų82.953%0.52743%0.433SS..Hα-helixtrans-69.2-42.8172.6-169.90000112.5V31 E32 R33 N37 F45V31-C35 PolarHBondContact O-N 3.48Å; E32-C35 WeakPolarHBondContact O-CB 3.32Å; E32-C35 PolarHBondContact O-N 2.93Å; R33-C35 VanDerWaalsContact C-N 3.26Å; R33-C35 PolarHBondContact O-N 2.93Å; C35-N37 VanDerWaalsContact C-N 3.35Å; C35-F45 HydrophobicContact CB-CD2 4Å; C35-F45 HydrophobicContact CB-CE2 3.56Å; C35-F45 HydrophobicContact CB-CZ 4.3Å
36K77.2Confident77.2Confident144 Ų14486 Ų8663%0.62644%0.442SS*.Hα-helixtrans-72.3-27.7-179-72.5-179.5-176.3172.20113E32 R33 R38E32-K36 PolarHBondContact O-N 2.99Å; E32-K36 WeakPolarHBondContact OE1-CE 3.49Å; E32-K36 IonicContact OE1-NZ 2.76Å; E32-K36 PolarHBondContact OE1-NZ 3.35Å; R33-K36 PolarHBondContact O-N 3.42Å; K36-R38 PolarHBondContact O-N 2.9Å
37N73.8Confident76.6Confident96 Ų9686.6 Ų86.651%0.51344%0.442SS..  trans-70.891.3174.3-78.5-13.9000110.3R33 C35 N39 T40R33-N37 PolarHBondContact O-N 2.95Å; R33-N37 VanDerWaalsContact O-N 3.13Å; C35-N37 VanDerWaalsContact C-N 3.35Å; N37-N39 PolarHBondContact O-N 3.1Å; N37-T40 WeakPolarHBondContact CB-OG1 3.37Å; N37-T40 PolarHBondContact O-N 2.85Å; N37-T40 PolarHBondContact O-OG1 3.24Å
38R54.7Low76.2Confident247 Ų24786.8 Ų86.893%0.93244%0.443SS*.THydrogen-bonded Turntrans-60-9.2178.6-72.3-176.8172.7-171-2.2115.2K36K36-R38 PolarHBondContact O-N 2.9Å
39N55.5Low75.9Confident168 Ų16886.5 Ų86.590%0.89844%0.438SS*.THydrogen-bonded Turntrans-97.9-0.1-179.1-72.5-15.9000114.1N37N37-N39 PolarHBondContact O-N 3.1Å
40T56.8Low75.7Confident46 Ų4684.7 Ų84.728%0.28244%0.435SS..SBendtrans-82.5124.4179.3-13.50000109.5N37 G42 A44N37-T40 WeakPolarHBondContact CB-OG1 3.37Å; N37-T40 PolarHBondContact O-N 2.85Å; N37-T40 PolarHBondContact O-OG1 3.24Å; T40-G42 PolarHBondContact O-N 3.38Å; T40-A44 HydrophobicContact CG2-CB 3.68Å
41S60.6Low75.6Confident80 Ų8081.9 Ų81.956%0.55942%0.423SS*.  trans-49.5131.7168.348.90000109S43 A44S41-S43 PolarHBondContact O-N 3.49Å; S41-S43 PolarHBondContact OG-OG 2.98Å; S41-A44 PolarHBondContact O-N 3.23Å
42G65.4Low75.6Confident53 Ų5382.1 Ų82.155%0.54642%0.423SS..Hα-helixtrans-52.4-20.2-172.800000114.6T40 Q46T40-G42 PolarHBondContact O-N 3.38Å; G42-Q46 VanDerWaalsContact O-CB 3.26Å; G42-Q46 WeakPolarHBondContact O-CB 3.29Å; G42-Q46 PolarHBondContact O-N 3.28Å
43S72.7Confident75.7Confident58 Ų5885.5 Ų85.541%0.40643%0.432SS..Hα-helixtrans-65-35.2174.4630000114.5S41 R47S41-S43 PolarHBondContact O-N 3.49Å; S41-S43 PolarHBondContact OG-OG 2.98Å; S43-R47 WeakPolarHBondContact O-CB 3.49Å; S43-R47 WeakPolarHBondContact O-CD 3.3Å; S43-R47 WeakPolarHBondContact O-CG 3.28Å; S43-R47 PolarHBondContact O-N 2.73Å; S43-R47 VanDerWaalsContact O-N 3.12Å
44A74.4Confident75.8Confident30 Ų3080.6 Ų80.625%0.24842%0.417CS..Hα-helixtrans-73.1-46.9179.700000111.5T40 S41 Q46 R47 V48T40-A44 HydrophobicContact CG2-CB 3.68Å; S41-A44 PolarHBondContact O-N 3.23Å; A44-Q46 PolarHBondContact O-N 3.48Å; A44-R47 PolarHBondContact O-N 3.4Å; A44-V48 WeakPolarHBondContact O-CG2 3.49Å; A44-V48 PolarHBondContact O-N 3.02Å; A44-V48 VanDerWaalsContact O-N 3.13Å
45F80.1Confident76.2Confident70 Ų7079.3 Ų79.331%0.30741%0.412SS..Hα-helixtrans-59.1-45.7174.1170.6-107.2000111.7V31 E34 C35 R47 V48 S49V31-F45 HydrophobicContact CG1-CE2 4.05Å; E34-F45 HydrophobicContact CB-CD2 4.41Å; C35-F45 HydrophobicContact CB-CD2 4Å; C35-F45 HydrophobicContact CB-CE2 3.56Å; C35-F45 HydrophobicContact CB-CZ 4.3Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.87Å; F45-V48 PolarHBondContact O-N 2.89Å; F45-S49 VanDerWaalsContact O-CB 3.31Å; F45-S49 WeakPolarHBondContact O-CB 3.45Å; F45-S49 PolarHBondContact O-N 2.99Å
46Q81.4Confident76.8Confident139 Ų13978.7 Ų78.765%0.6540%0.402SS*.Hα-helixtrans-61.7-38.3179-170.9177.90.400112.2G42 A44 C50G42-Q46 VanDerWaalsContact O-CB 3.26Å; G42-Q46 WeakPolarHBondContact O-CB 3.29Å; G42-Q46 PolarHBondContact O-N 3.28Å; A44-Q46 PolarHBondContact O-N 3.48Å; Q46-C50 WeakPolarHBondContact O-CB 3.4Å; Q46-C50 PolarHBondContact O-N 3.34Å
47R80.8Confident77.4Confident108 Ų10877 Ų7741%0.40840%0.4SS..Hα-helixtrans-63.2-46.2175.4-75.7168.6-175.6-1663112.2S43 A44 F45 C50 A51S43-R47 WeakPolarHBondContact O-CB 3.49Å; S43-R47 WeakPolarHBondContact O-CD 3.3Å; S43-R47 WeakPolarHBondContact O-CG 3.28Å; S43-R47 PolarHBondContact O-N 2.73Å; S43-R47 VanDerWaalsContact O-N 3.12Å; A44-R47 PolarHBondContact O-N 3.4Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.87Å; R47-C50 PolarHBondContact O-N 2.97Å; R47-A51 WeakPolarHBondContact O-CB 3.36Å; R47-A51 PolarHBondContact O-N 3.11Å
48V83.3Confident78.2Confident4 Ų473.8 Ų73.82%0.02439%0.387CS..Hα-helixtrans-69.2-41.4-178.9179.80000111.4V31 E34 A44 F45 A51 N52 F93 L97V31-V48 HydrophobicContact CB-CG1 4.39Å; V31-V48 HydrophobicContact CG2-CG1 3.74Å; E34-V48 HydrophobicContact CG-CG2 4.36Å; A44-V48 WeakPolarHBondContact O-CG2 3.49Å; A44-V48 PolarHBondContact O-N 3.02Å; A44-V48 VanDerWaalsContact O-N 3.13Å; F45-V48 PolarHBondContact O-N 2.89Å; V48-A51 PolarHBondContact O-N 3.16Å; V48-N52 WeakPolarHBondContact O-CB 3.34Å; V48-N52 PolarHBondContact O-N 3.39Å; V48-F93 HydrophobicContact CG1-CE2 4.29Å; V48-F93 HydrophobicContact CG1-CZ 3.77Å; V48-L97 HydrophobicContact CG2-CD2 3.19Å; V48-L97 HydrophobicContact CG2-CG 3.97Å
49S83.9Confident80Confident39 Ų3963.3 Ų63.327%0.27335%0.348SS..Hα-helixtrans-63.5-42.8175-174.70000111.7F45 N52 R53F45-S49 VanDerWaalsContact O-CB 3.31Å; F45-S49 WeakPolarHBondContact O-CB 3.45Å; F45-S49 PolarHBondContact O-N 2.99Å; S49-N52 PolarHBondContact O-N 3.43Å; S49-R53 PolarHBondContact O-N 3.25Å
50C85.1Confident81.9Confident52 Ų5259.2 Ų59.235%0.35133%0.33SS..Hα-helixtrans-63.6-45.8174.6179.50000112Q46 R47 N52 R53 N54Q46-C50 WeakPolarHBondContact O-CB 3.4Å; Q46-C50 PolarHBondContact O-N 3.34Å; R47-C50 PolarHBondContact O-N 2.97Å; C50-N52 VanDerWaalsContact C-N 3.33Å; C50-N52 PolarHBondContact O-N 3.49Å; C50-R53 PolarHBondContact O-N 2.85Å; C50-N54 VanDerWaalsContact O-CG 3.24Å; C50-N54 PolarHBondContact O-N 3.07Å; C50-N54 PolarHBondContact O-ND2 3.47Å; C50-N54 PolarHBondContact O-OD1 3.19Å
51A85.4Confident83.7Confident1 Ų160.7 Ų60.71%0.00834%0.339CS..Hα-helixtrans-60.3-42.9176.800000111.9R47 V48 C55 F93 Y96R47-A51 WeakPolarHBondContact O-CB 3.36Å; R47-A51 PolarHBondContact O-N 3.11Å; V48-A51 PolarHBondContact O-N 3.16Å; A51-C55 WeakPolarHBondContact O-CB 3.44Å; A51-C55 PolarHBondContact O-N 3.35Å; A51-C55 PolarHBondContact O-SG 2.89Å; A51-F93 HydrophobicContact CB-CD2 3.94Å; A51-F93 HydrophobicContact CB-CE2 4.23Å; A51-Y96 HydrophobicContact CB-CD1 3.89Å; A51-Y96 HydrophobicContact CB-CD2 4.25Å; A51-Y96 HydrophobicContact CB-CG 3.66Å
52N87.9Confident85.3Confident27 Ų2756.9 Ų56.914%0.14431%0.312CS..Hα-helixtrans-63.1-43.7175.3-174.656000111.6F27 V31 V48 S49 C50 C55 M56 F93F27-N52 WeakPolarHBondContact CB-OD1 3.38Å; V31-N52 HydrophobicContact CG2-CB 3.55Å; V48-N52 WeakPolarHBondContact O-CB 3.34Å; V48-N52 PolarHBondContact O-N 3.39Å; S49-N52 PolarHBondContact O-N 3.43Å; C50-N52 VanDerWaalsContact C-N 3.33Å; C50-N52 PolarHBondContact O-N 3.49Å; N52-C55 WeakPolarHBondContact O-CB 3.3Å; N52-C55 PolarHBondContact O-N 3.23Å; N52-M56 WeakPolarHBondContact O-CG 3.36Å; N52-M56 PolarHBondContact O-N 2.95Å; N52-F93 HydrophobicContact CB-CE2 4.18Å
53R87.8Confident86.8Confident167 Ų16756.7 Ų56.763%0.6330%0.299SS*.Hα-helixtrans-61.6-49177.6-171.5130.675.3-163.47.6111.8S49 C50 C55 M56 D57S49-R53 PolarHBondContact O-N 3.25Å; C50-R53 PolarHBondContact O-N 2.85Å; R53-C55 PolarHBondContact O-N 3.37Å; R53-M56 CarbonylContact O-C 3.59Å; R53-M56 WeakPolarHBondContact O-CA 3.36Å; R53-M56 PolarHBondContact O-N 2.9Å; R53-D57 VanDerWaalsContact O-CG 3.28Å; R53-D57 PolarHBondContact O-N 3.41Å
54N88.4Confident87.9Confident54 Ų5456.5 Ų56.529%0.28930%0.3SS..Hα-helixtrans-57.4-39.3175.9-63.9-14.4000111.9C50 M56 A58 Y92C50-N54 VanDerWaalsContact O-CG 3.24Å; C50-N54 PolarHBondContact O-N 3.07Å; C50-N54 PolarHBondContact O-ND2 3.47Å; C50-N54 PolarHBondContact O-OD1 3.19Å; N54-M56 VanDerWaalsContact C-N 3.32Å; N54-A58 PolarHBondContact O-N 3.46Å; N54-Y92 HydrophobicContact CB-CE1 4.43Å; N54-Y92 PolarHBondContact ND2-OH 3.49Å
55C88.1Confident89Confident5 Ų556 Ų563%0.03429%0.294CS..Hα-helixtrans-68.3-29.3176.1-74.70000113.2F27 A51 N52 R53 Y59 R89F27-C55 HydrophobicContact CD2-CB 4.38Å; F27-C55 HydrophobicContact CE2-CB 4.38Å; A51-C55 WeakPolarHBondContact O-CB 3.44Å; A51-C55 PolarHBondContact O-N 3.35Å; A51-C55 PolarHBondContact O-SG 2.89Å; N52-C55 WeakPolarHBondContact O-CB 3.3Å; N52-C55 PolarHBondContact O-N 3.23Å; R53-C55 PolarHBondContact O-N 3.37Å; C55-Y59 WeakPolarHBondContact O-CB 3.46Å; C55-R89 PolarHBondContact O-NH2 2.92Å
56M89.8Confident89.8Confident64 Ų6452.7 Ų52.732%0.31528%0.28SS..Hα-helixtrans-81-37.3176.2-71.9-63.9173.700111.6N24 N52 R53 N54 A58 Y59 P60N24-M56 HydrophobicContact CB-CE 3.85Å; N52-M56 WeakPolarHBondContact O-CG 3.36Å; N52-M56 PolarHBondContact O-N 2.95Å; R53-M56 CarbonylContact O-C 3.59Å; R53-M56 WeakPolarHBondContact O-CA 3.36Å; R53-M56 PolarHBondContact O-N 2.9Å; N54-M56 VanDerWaalsContact C-N 3.32Å; M56-A58 VanDerWaalsContact C-N 3.31Å; M56-A58 PolarHBondContact O-N 3.28Å; M56-Y59 PolarHBondContact O-N 3.49Å; M56-P60 WeakPolarHBondContact O-CD 3.34Å
57D90.2Very high90.5Very high108 Ų10849.7 Ų49.758%0.57826%0.263SS*.Hα-helixtrans-65-36.1178.3-64.3-22.5000111.7R53R53-D57 VanDerWaalsContact O-CG 3.28Å; R53-D57 PolarHBondContact O-N 3.41Å
58A89.8Confident91.2Very high29 Ų2947.6 Ų47.624%0.2426%0.264CS..SBendtrans-82-16.5177.400000114.3N54 M56 T61 F62N54-A58 PolarHBondContact O-N 3.46Å; M56-A58 VanDerWaalsContact C-N 3.31Å; M56-A58 PolarHBondContact O-N 3.28Å; A58-T61 PolarHBondContact O-N 3.29Å; A58-F62 PolarHBondContact O-N 3.35Å
59Y92.8Very high91.8Very high28 Ų2847.4 Ų47.411%0.1126%0.262CS..Hα-helixtrans-67.4-45.6-171.2-179.9-109.4000113.9S20 N24 C55 M56 T61 F62 L63S20-Y59 WeakPolarHBondContact OG-CE2 3.26Å; S20-Y59 PolarHBondContact OG-OH 3.4Å; N24-Y59 VanDerWaalsContact ND2-CE1 3.33Å; N24-Y59 WeakPolarHBondContact ND2-CE1 3.45Å; C55-Y59 WeakPolarHBondContact O-CB 3.46Å; M56-Y59 PolarHBondContact O-N 3.49Å; Y59-T61 VanDerWaalsContact C-N 3.31Å; Y59-T61 PolarHBondContact O-N 2.96Å; Y59-F62 HydrophobicContact CD2-CD1 4.09Å; Y59-F62 HydrophobicContact CE2-CD1 4.2Å; Y59-F62 HydrophobicContact CE2-CE1 4.44Å; Y59-F62 PolarHBondContact O-N 2.87Å; Y59-L63 HydrophobicContact CE1-CD2 4.49Å; Y59-L63 WeakPolarHBondContact O-CB 3.3Å; Y59-L63 PolarHBondContact O-N 3.49Å
60P95.4Very high92.3Very high81 Ų8145.9 Ų45.953%0.52625%0.253SS..Hα-helixtrans-58.3-42.7175.7-25.633.8000112.5M56 L63 A64M56-P60 WeakPolarHBondContact O-CD 3.34Å; P60-L63 PolarHBondContact O-N 3.03Å; P60-A64 WeakPolarHBondContact O-CB 3.21Å; P60-A64 PolarHBondContact O-N 3.45Å
61T94.4Very high92.7Very high77 Ų7748 Ų4847%0.47226%0.264SS..Hα-helixtrans-61.9-47.9177.9-53.70000111A58 Y59 L63 A64 V65 I114A58-T61 PolarHBondContact O-N 3.29Å; Y59-T61 VanDerWaalsContact C-N 3.31Å; Y59-T61 PolarHBondContact O-N 2.96Å; T61-L63 PolarHBondContact O-N 3.41Å; T61-A64 PolarHBondContact O-N 2.94Å; T61-V65 WeakPolarHBondContact O-CG2 3.11Å; T61-V65 PolarHBondContact O-N 2.98Å; T61-I114 HydrophobicContact CG2-CG2 4.21Å
62F95.3Very high93Very high0 Ų050.7 Ų50.70%028%0.282CS..Hα-helixtrans-56.7-49.7175.3159.7-106.6000112V16 A58 Y59 A64 V65 M66 Y85 L86 L117V16-F62 HydrophobicContact CG1-CZ 4.44Å; A58-F62 PolarHBondContact O-N 3.35Å; Y59-F62 HydrophobicContact CD2-CD1 4.09Å; Y59-F62 HydrophobicContact CE2-CD1 4.2Å; Y59-F62 HydrophobicContact CE2-CE1 4.44Å; Y59-F62 PolarHBondContact O-N 2.87Å; F62-A64 VanDerWaalsContact C-N 3.34Å; F62-A64 PolarHBondContact O-N 2.88Å; F62-V65 WeakPolarHBondContact O-CG2 3.45Å; F62-V65 PolarHBondContact O-N 3.46Å; F62-M66 HydrophobicContact CE1-CE 4.46Å; F62-M66 HydrophobicContact CE1-SD 4.26Å; F62-M66 HydrophobicContact CE2-CB 4.18Å; F62-M66 HydrophobicContact CE2-SD 4.06Å; F62-M66 HydrophobicContact CZ-CB 4.43Å; F62-M66 HydrophobicContact CZ-CE 4.3Å; F62-M66 HydrophobicContact CZ-SD 3.53Å; F62-M66 VanDerWaalsContact CZ-SD 3.53Å; F62-M66 VanDerWaalsContact O-CB 3.31Å; F62-M66 WeakPolarHBondContact O-CB 3.37Å; F62-M66 PolarHBondContact O-N 3.29Å; F62-Y85 HydrophobicContact CB-CD1 4.38Å; F62-Y85 HydrophobicContact CB-CE1 3.76Å; F62-Y85 HydrophobicContact CB-CE2 4.29Å; F62-Y85 AromaticContact CD1-CD1 3.83Å; F62-Y85 HydrophobicContact CD1-CD1 3.83Å; F62-Y85 AromaticContact CD1-CE1 3.61Å; F62-Y85 HydrophobicContact CD1-CE1 3.61Å; F62-Y85 AromaticContact CD2-CD1 3.33Å; F62-Y85 HydrophobicContact CD2-CD1 3.33Å; F62-Y85 HydrophobicContact CD2-CD2 4Å; F62-Y85 AromaticContact CD2-CE1 3.61Å; F62-Y85 HydrophobicContact CD2-CE1 3.61Å; F62-Y85 HydrophobicContact CD2-CE2 4.24Å; F62-Y85 AromaticContact CD2-CG 3.55Å; F62-Y85 HydrophobicContact CD2-CG 3.55Å; F62-Y85 AromaticContact CE1-CD1 3.89Å; F62-Y85 HydrophobicContact CE1-CD1 3.89Å; F62-Y85 HydrophobicContact CE1-CE1 4.1Å; F62-Y85 AromaticContact CE2-CD1 3.4Å; F62-Y85 HydrophobicContact CE2-CD1 3.4Å; F62-Y85 VanDerWaalsContact CE2-CD1 3.4Å; F62-Y85 HydrophobicContact CE2-CD2 4.48Å; F62-Y85 HydrophobicContact CE2-CE1 4.11Å; F62-Y85 AromaticContact CE2-CG 3.63Å; F62-Y85 HydrophobicContact CE2-CG 3.63Å; F62-Y85 AromaticContact CG-CD1 3.55Å; F62-Y85 HydrophobicContact CG-CD1 3.55Å; F62-Y85 AromaticContact CG-CE1 3.32Å; F62-Y85 HydrophobicContact CG-CE1 3.32Å; F62-Y85 HydrophobicContact CG-CE2 4.38Å; F62-Y85 HydrophobicContact CG-CG 4.17Å; F62-Y85 AromaticContact CG-CZ 3.78Å; F62-Y85 AromaticContact CZ-CD1 3.68Å; F62-Y85 HydrophobicContact CZ-CD1 3.68Å; F62-Y85 HydrophobicContact CZ-CE1 4.32Å; F62-Y85 HydrophobicContact CZ-CG 4.31Å; F62-L86 HydrophobicContact CE1-CD2 4.26Å; F62-L86 HydrophobicContact CZ-CD2 4.45Å; F62-L117 HydrophobicContact CD2-CD1 4.26Å; F62-L117 HydrophobicContact CE2-CD1 4.25Å
63L95.9Very high93.2Very high49 Ų4953 Ų5326%0.25729%0.294SS..Hα-helixtrans-61.6-45.1-177.6-169.868.4000110.6T17 Y59 P60 T61 M66 W67T17-L63 HydrophobicContact CG2-CD1 3.84Å; Y59-L63 HydrophobicContact CE1-CD2 4.49Å; Y59-L63 WeakPolarHBondContact O-CB 3.3Å; Y59-L63 PolarHBondContact O-N 3.49Å; P60-L63 PolarHBondContact O-N 3.03Å; T61-L63 PolarHBondContact O-N 3.41Å; L63-M66 HydrophobicContact CD1-CE 3.98Å; L63-M66 PolarHBondContact O-N 2.91Å; L63-W67 WeakPolarHBondContact O-CB 3.11Å; L63-W67 VanDerWaalsContact O-CD1 3.26Å; L63-W67 PolarHBondContact O-N 3.44Å
64A96.6Very high93.4Very high54 Ų5447.5 Ų47.545%0.44628%0.282SS..Hα-helixtrans-59-51.5177.700000111.9P60 T61 F62 M66 W67 C68P60-A64 WeakPolarHBondContact O-CB 3.21Å; P60-A64 PolarHBondContact O-N 3.45Å; T61-A64 PolarHBondContact O-N 2.94Å; F62-A64 VanDerWaalsContact C-N 3.34Å; F62-A64 PolarHBondContact O-N 2.88Å; A64-M66 PolarHBondContact O-N 3.26Å; A64-W67 PolarHBondContact O-N 3.49Å; A64-C68 WeakPolarHBondContact O-CB 3.36Å; A64-C68 PolarHBondContact O-N 2.91Å; A64-C68 PolarHBondContact O-SG 3.29Å
65V96.4Very high93.7Very high20 Ų2046.5 Ų46.512%0.12128%0.275CS..Hα-helixtrans-70.8-33-177-58.70000112.7T61 F62 A69 I114 L117 C121T61-V65 WeakPolarHBondContact O-CG2 3.11Å; T61-V65 PolarHBondContact O-N 2.98Å; F62-V65 WeakPolarHBondContact O-CG2 3.45Å; F62-V65 PolarHBondContact O-N 3.46Å; V65-A69 WeakPolarHBondContact O-CB 3.4Å; V65-A69 PolarHBondContact O-N 2.94Å; V65-I114 HydrophobicContact CG2-CG2 4.28Å; V65-L117 HydrophobicContact CB-CB 4Å; V65-L117 HydrophobicContact CG2-CB 3.62Å; V65-L117 HydrophobicContact CG2-CD1 3.96Å; V65-L117 HydrophobicContact CG2-CG 4.45Å; V65-C121 PolarHBondContact O-SG 3.02Å; V65-C121 VanDerWaalsContact O-SG 3.32Å
66M96.6Very high94Very high0 Ų048.9 Ų48.90%030%0.295CS..Hα-helixtrans-64.4-45.9175.6-179.2-174.669.800111.2V16 T17 F62 L63 A64 A69 G70 L117V16-M66 HydrophobicContact CB-CE 4.49Å; V16-M66 HydrophobicContact CB-SD 4.02Å; V16-M66 HydrophobicContact CG1-CE 4.32Å; V16-M66 HydrophobicContact CG1-SD 3.54Å; V16-M66 VanDerWaalsContact CG1-SD 3.54Å; T17-M66 WeakPolarHBondContact OG1-CE 3.28Å; F62-M66 HydrophobicContact CE1-CE 4.46Å; F62-M66 HydrophobicContact CE1-SD 4.26Å; F62-M66 HydrophobicContact CE2-CB 4.18Å; F62-M66 HydrophobicContact CE2-SD 4.06Å; F62-M66 HydrophobicContact CZ-CB 4.43Å; F62-M66 HydrophobicContact CZ-CE 4.3Å; F62-M66 HydrophobicContact CZ-SD 3.53Å; F62-M66 VanDerWaalsContact CZ-SD 3.53Å; F62-M66 VanDerWaalsContact O-CB 3.31Å; F62-M66 WeakPolarHBondContact O-CB 3.37Å; F62-M66 PolarHBondContact O-N 3.29Å; L63-M66 HydrophobicContact CD1-CE 3.98Å; L63-M66 PolarHBondContact O-N 2.91Å; A64-M66 PolarHBondContact O-N 3.26Å; M66-A69 PolarHBondContact O-N 3.4Å; M66-G70 PolarHBondContact O-N 3.48Å; M66-L117 HydrophobicContact CB-CD1 4.28Å
67W97.2Very high94.2Very high77 Ų7748.2 Ų48.229%0.29230%0.296SS..Hα-helixtrans-66.6-47.1178.7-84.888.5000112.3I10 L13 V14 T17 L63 A64 A69 G70 V71I10-W67 HydrophobicContact CB-CZ3 4.29Å; I10-W67 HydrophobicContact CG2-CZ3 4.41Å; L13-W67 HydrophobicContact CB-CH2 4.42Å; L13-W67 HydrophobicContact CB-CZ2 4.27Å; L13-W67 HydrophobicContact CD2-CB 4.47Å; L13-W67 HydrophobicContact CD2-CD2 3.94Å; L13-W67 HydrophobicContact CD2-CE3 3.92Å; L13-W67 HydrophobicContact CD2-CG 4.2Å; L13-W67 HydrophobicContact CD2-CZ3 4.48Å; V14-W67 HydrophobicContact CG2-CH2 3.85Å; V14-W67 HydrophobicContact CG2-CZ2 4.22Å; T17-W67 PolarHBondContact OG1-NE1 3.3Å; T17-W67 VanDerWaalsContact OG1-NE1 3.1Å; L63-W67 WeakPolarHBondContact O-CB 3.11Å; L63-W67 VanDerWaalsContact O-CD1 3.26Å; L63-W67 PolarHBondContact O-N 3.44Å; A64-W67 PolarHBondContact O-N 3.49Å; W67-A69 VanDerWaalsContact C-N 3.35Å; W67-A69 PolarHBondContact O-N 2.99Å; W67-G70 PolarHBondContact O-N 3.1Å; W67-V71 HydrophobicContact CE3-CG2 4.37Å; W67-V71 WeakPolarHBondContact O-CB 3.44Å; W67-V71 WeakPolarHBondContact O-CG2 3.45Å; W67-V71 PolarHBondContact O-N 3.48Å
68C95.4Very high94.4Very high63 Ų6343.1 Ų43.143%0.42627%0.268SS..Hα-helixtrans-59.5-44.5175.3-700000111.6A64 G70 C72 C121A64-C68 WeakPolarHBondContact O-CB 3.36Å; A64-C68 PolarHBondContact O-N 2.91Å; A64-C68 PolarHBondContact O-SG 3.29Å; C68-G70 PolarHBondContact O-N 3.07Å; C68-C72 WeakPolarHBondContact O-CB 3.45Å; C68-C72 PolarHBondContact O-N 3.19Å; C68-C72 PolarHBondContact O-SG 3.47Å; C68-C121 HydrophobicContact CB-CB 4.27Å; C68-C121 WeakPolarHBondContact CB-SG 3.34Å
69A95.1Very high94.7Very high0 Ų042 Ų420%026%0.259CS..Hα-helixtrans-65.3-40.8179.800000112.5V65 M66 W67 L73 S74 A78 L117 M120 C121V65-A69 WeakPolarHBondContact O-CB 3.4Å; V65-A69 PolarHBondContact O-N 2.94Å; M66-A69 PolarHBondContact O-N 3.4Å; W67-A69 VanDerWaalsContact C-N 3.35Å; W67-A69 PolarHBondContact O-N 2.99Å; A69-L73 PolarHBondContact O-N 2.82Å; A69-L73 VanDerWaalsContact O-N 3.11Å; A69-S74 PolarHBondContact O-N 2.88Å; A69-A78 HydrophobicContact CB-CB 4.07Å; A69-L117 HydrophobicContact CB-CD2 4.01Å; A69-M120 HydrophobicContact CB-CB 3.77Å; A69-M120 HydrophobicContact CB-CE 4.4Å; A69-M120 HydrophobicContact CB-SD 4.48Å; A69-C121 PolarHBondContact N-SG 3.32Å
70G94.8Very high94.9Very high7 Ų747.4 Ų47.47%0.07228%0.284CS..Hα-helixtrans-69.8-38.6-179.400000113.3M66 W67 C68 S74 Q75M66-G70 PolarHBondContact O-N 3.48Å; W67-G70 PolarHBondContact O-N 3.1Å; C68-G70 PolarHBondContact O-N 3.07Å; G70-S74 CarbonylContact O-C 3.59Å; G70-Q75 PolarHBondContact O-N 2.9Å
71V94.4Very high94.9Very high97 Ų9743.9 Ų43.959%0.58826%0.261SS*.Hα-helixtrans-80.3-42.4179.6175.50000111.8W67W67-V71 HydrophobicContact CE3-CG2 4.37Å; W67-V71 WeakPolarHBondContact O-CB 3.44Å; W67-V71 WeakPolarHBondContact O-CG2 3.45Å; W67-V71 PolarHBondContact O-N 3.48Å
72C91Very high95Very high57 Ų5740.2 Ų40.239%0.38524%0.239SC..Hα-helixtrans-82-24.5-174.3-61.80000113.9C68 G124C68-C72 WeakPolarHBondContact O-CB 3.45Å; C68-C72 PolarHBondContact O-N 3.19Å; C68-C72 PolarHBondContact O-SG 3.47Å; C72-G124 WeakPolarHBondContact O-CA 3.38Å
73L91.4Very high95Very high75 Ų7543.1 Ų43.139%0.39325%0.254SS..THydrogen-bonded Turntrans-127.2-67.6-176.2-173.264.7000112.7A69 M120 V123A69-L73 PolarHBondContact O-N 2.82Å; A69-L73 VanDerWaalsContact O-N 3.11Å; L73-M120 HydrophobicContact CD2-CB 3.87Å; L73-M120 HydrophobicContact CD2-CE 3.98Å; L73-M120 HydrophobicContact CD2-CG 3.99Å; L73-V123 HydrophobicContact CD1-CG1 4.05Å; L73-V123 HydrophobicContact CD2-CB 4.34Å; L73-V123 HydrophobicContact CD2-CG1 4.2Å
74S92.9Very high95Very high53 Ų5343.2 Ų43.237%0.37125%0.254SS..  trans-164130.4-178.7-173.40000113A69 G70 P77 A78A69-S74 PolarHBondContact O-N 2.88Å; G70-S74 CarbonylContact O-C 3.59Å; S74-P77 VanDerWaalsContact OG-CD 3.28Å; S74-P77 WeakPolarHBondContact OG-CD 3.36Å; S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.04Å
75Q94.3Very high94.9Very high33 Ų3341.2 Ų41.215%0.15424%0.235CC..Hα-helixtrans-60.9-49.1-177.7-170.3-166.87.200113.6E8 N9 I10 L12 L13 G70 A78 A79E8-Q75 PolarHBondContact O-NE2 3.37Å; E8-Q75 PolarHBondContact O-OE1 3.37Å; N9-Q75 VanDerWaalsContact C-NE2 3.28Å; N9-Q75 WeakPolarHBondContact O-CG 3.47Å; N9-Q75 PolarHBondContact O-NE2 3.43Å; N9-Q75 PolarHBondContact O-OE1 3.49Å; I10-Q75 VanDerWaalsContact C-NE2 3.28Å; L12-Q75 HydrophobicContact CB-CG 4.02Å; L12-Q75 HydrophobicContact CD1-CG 4.2Å; L12-Q75 HydrophobicContact CG-CG 4.42Å; L13-Q75 HydrophobicContact CD1-CB 4.11Å; L13-Q75 HydrophobicContact CD1-CG 3.33Å; G70-Q75 PolarHBondContact O-N 2.9Å; Q75-A78 PolarHBondContact O-N 3.25Å; Q75-A79 VanDerWaalsContact O-CB 3.32Å; Q75-A79 WeakPolarHBondContact O-CB 3.4Å; Q75-A79 PolarHBondContact O-N 2.97Å
76A94.1Very high94.8Very high55 Ų5540.6 Ų40.646%0.45523%0.231SC..Hα-helixtrans-63.1-52.8-172.200000114L12 A78 A79 F80L12-A76 HydrophobicContact CD1-CB 4.49Å; A76-A78 VanDerWaalsContact C-N 3.34Å; A76-A78 PolarHBondContact O-N 2.93Å; A76-A79 PolarHBondContact O-N 3.29Å; A76-F80 WeakPolarHBondContact O-CB 3.13Å; A76-F80 PolarHBondContact O-N 3.32Å
77P93.9Very high94.6Very high50 Ų5045.8 Ų45.833%0.32526%0.258SS..Hα-helixtrans-66.3-33.7177.122.7-31.1000112.9S74 A81 M120S74-P77 VanDerWaalsContact OG-CD 3.28Å; S74-P77 WeakPolarHBondContact OG-CD 3.36Å; P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.37Å; P77-A81 PolarHBondContact O-N 3.25Å; P77-M120 HydrophobicContact CB-CE 3.9Å; P77-M120 HydrophobicContact CB-SD 4.42Å; P77-M120 HydrophobicContact CG-CE 3.62Å
78A95.8Very high94.3Very high0 Ų043 Ų430%025%0.25CC..Hα-helixtrans-65.4-45.1175.400000111.6A69 S74 Q75 A76 G82 L117 M120A69-A78 HydrophobicContact CB-CB 4.07Å; S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.04Å; Q75-A78 PolarHBondContact O-N 3.25Å; A76-A78 VanDerWaalsContact C-N 3.34Å; A76-A78 PolarHBondContact O-N 2.93Å; A78-G82 PolarHBondContact O-N 3.04Å; A78-L117 HydrophobicContact CB-CD2 4.29Å; A78-M120 HydrophobicContact CB-CE 4.31Å
79A96.1Very high94.1Very high7 Ų740.4 Ų40.46%0.05823%0.231CC..Hα-helixtrans-65.1-42.6176.200000111.9L12 V16 Q75 A76 G82 I83L12-A79 HydrophobicContact CB-CB 3.66Å; V16-A79 HydrophobicContact CG2-CB 3.99Å; Q75-A79 VanDerWaalsContact O-CB 3.32Å; Q75-A79 WeakPolarHBondContact O-CB 3.4Å; Q75-A79 PolarHBondContact O-N 2.97Å; A76-A79 PolarHBondContact O-N 3.29Å; A79-G82 CarbonylContact O-C 3.43Å; A79-G82 WeakPolarHBondContact O-CA 3.31Å; A79-G82 PolarHBondContact O-N 2.98Å; A79-G82 VanDerWaalsContact O-N 3.16Å; A79-I83 PolarHBondContact O-N 3.29Å
80F95.7Very high93.9Very high141 Ų14142.9 Ų42.962%0.61824%0.242SC*.Hα-helixtrans-61-48.2176.5-179.7-107.7000112A76 G82 I83 I84A76-F80 WeakPolarHBondContact O-CB 3.13Å; A76-F80 PolarHBondContact O-N 3.32Å; F80-G82 VanDerWaalsContact C-N 3.25Å; F80-G82 PolarHBondContact O-N 3.46Å; F80-I83 PolarHBondContact O-N 2.89Å; F80-I84 HydrophobicContact CD1-CD1 3.9Å; F80-I84 HydrophobicContact CE1-CD1 3.39Å; F80-I84 HydrophobicContact CE1-CG1 4.43Å; F80-I84 HydrophobicContact CE2-CD1 4.36Å; F80-I84 HydrophobicContact CZ-CD1 3.66Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 WeakPolarHBondContact O-CG1 3.39Å; F80-I84 PolarHBondContact O-N 3.47Å; F80-I84 VanDerWaalsContact O-N 3.07Å
81A95.1Very high93.6Very high7 Ų750.2 Ų50.26%0.05827%0.272CS..Hα-helixtrans-59.7-38.1173.500000111.7P77 I84 Y85 I113 F116 L117P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.37Å; P77-A81 PolarHBondContact O-N 3.25Å; A81-I84 PolarHBondContact O-N 3.49Å; A81-Y85 PolarHBondContact O-N 3.19Å; A81-I113 HydrophobicContact CB-CG2 4.18Å; A81-I113 WeakPolarHBondContact O-CG2 3.31Å; A81-F116 HydrophobicContact CB-CD1 4.05Å; A81-F116 HydrophobicContact CB-CE1 4.03Å; A81-L117 HydrophobicContact CB-CD2 3.88Å; A81-L117 HydrophobicContact CB-CG 4.24Å
82G96.1Very high93.2Very high0 Ų046.4 Ų46.40%025%0.248CC..Hα-helixtrans-60.1-46.3173.700000113.6A78 A79 F80 I84 Y85 L86A78-G82 PolarHBondContact O-N 3.04Å; A79-G82 CarbonylContact O-C 3.43Å; A79-G82 WeakPolarHBondContact O-CA 3.31Å; A79-G82 PolarHBondContact O-N 2.98Å; A79-G82 VanDerWaalsContact O-N 3.16Å; F80-G82 VanDerWaalsContact C-N 3.25Å; F80-G82 PolarHBondContact O-N 3.46Å; G82-I84 PolarHBondContact O-N 3.43Å; G82-Y85 WeakPolarHBondContact O-CB 3.45Å; G82-Y85 PolarHBondContact O-N 3.15Å; G82-L86 WeakPolarHBondContact O-CG 3.46Å; G82-L86 PolarHBondContact O-N 3.36Å
83I96.6Very high93Very high61 Ų6143.8 Ų43.831%0.31323%0.229SC..Hα-helixtrans-60.5-45.8174.7-67.4-63.7000111.1V16 I19 A79 F80 Y85 L86 L87V16-I83 HydrophobicContact CG1-CD1 4.4Å; V16-I83 HydrophobicContact CG2-CD1 3.77Å; V16-I83 HydrophobicContact CG2-CG1 3.86Å; I19-I83 HydrophobicContact CD1-CD1 3.9Å; A79-I83 PolarHBondContact O-N 3.29Å; F80-I83 PolarHBondContact O-N 2.89Å; I83-Y85 VanDerWaalsContact C-N 3.27Å; I83-Y85 PolarHBondContact O-N 2.9Å; I83-L86 PolarHBondContact O-N 3.38Å; I83-L86 VanDerWaalsContact O-N 3.15Å; I83-L87 HydrophobicContact CG2-CD1 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.48Å; I83-L87 PolarHBondContact O-N 3.01Å
84I95.1Very high92.6Very high50 Ų5044.7 Ų44.726%0.25623%0.234SC..Hα-helixtrans-59.4-41.8176.8-64.2175.7000110.4F80 A81 G82 L86 L87 V88 F109 I113F80-I84 HydrophobicContact CD1-CD1 3.9Å; F80-I84 HydrophobicContact CE1-CD1 3.39Å; F80-I84 HydrophobicContact CE1-CG1 4.43Å; F80-I84 HydrophobicContact CE2-CD1 4.36Å; F80-I84 HydrophobicContact CZ-CD1 3.66Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 WeakPolarHBondContact O-CG1 3.39Å; F80-I84 PolarHBondContact O-N 3.47Å; F80-I84 VanDerWaalsContact O-N 3.07Å; A81-I84 PolarHBondContact O-N 3.49Å; G82-I84 PolarHBondContact O-N 3.43Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.21Å; I84-L87 PolarHBondContact O-N 3.31Å; I84-V88 HydrophobicContact CG2-CG2 4.22Å; I84-V88 WeakPolarHBondContact O-CG2 3.16Å; I84-V88 PolarHBondContact O-N 3.22Å; I84-F109 HydrophobicContact CG2-CE1 3.83Å; I84-I113 HydrophobicContact CB-CD1 4.33Å; I84-I113 HydrophobicContact CG2-CD1 3.66Å; I84-I113 HydrophobicContact CG2-CG1 4.49Å
85Y94.6Very high92.2Very high12 Ų1242.6 Ų42.65%0.04722%0.22CC..Hα-helixtrans-57.8-45.6176.1176.8-93.8000111.7F62 A81 G82 I83 L87 V88 R89 I113 I114F62-Y85 HydrophobicContact CB-CD1 4.38Å; F62-Y85 HydrophobicContact CB-CE1 3.76Å; F62-Y85 HydrophobicContact CB-CE2 4.29Å; F62-Y85 AromaticContact CD1-CD1 3.83Å; F62-Y85 HydrophobicContact CD1-CD1 3.83Å; F62-Y85 AromaticContact CD1-CE1 3.61Å; F62-Y85 HydrophobicContact CD1-CE1 3.61Å; F62-Y85 AromaticContact CD2-CD1 3.33Å; F62-Y85 HydrophobicContact CD2-CD1 3.33Å; F62-Y85 HydrophobicContact CD2-CD2 4Å; F62-Y85 AromaticContact CD2-CE1 3.61Å; F62-Y85 HydrophobicContact CD2-CE1 3.61Å; F62-Y85 HydrophobicContact CD2-CE2 4.24Å; F62-Y85 AromaticContact CD2-CG 3.55Å; F62-Y85 HydrophobicContact CD2-CG 3.55Å; F62-Y85 AromaticContact CE1-CD1 3.89Å; F62-Y85 HydrophobicContact CE1-CD1 3.89Å; F62-Y85 HydrophobicContact CE1-CE1 4.1Å; F62-Y85 AromaticContact CE2-CD1 3.4Å; F62-Y85 HydrophobicContact CE2-CD1 3.4Å; F62-Y85 VanDerWaalsContact CE2-CD1 3.4Å; F62-Y85 HydrophobicContact CE2-CD2 4.48Å; F62-Y85 HydrophobicContact CE2-CE1 4.11Å; F62-Y85 AromaticContact CE2-CG 3.63Å; F62-Y85 HydrophobicContact CE2-CG 3.63Å; F62-Y85 AromaticContact CG-CD1 3.55Å; F62-Y85 HydrophobicContact CG-CD1 3.55Å; F62-Y85 AromaticContact CG-CE1 3.32Å; F62-Y85 HydrophobicContact CG-CE1 3.32Å; F62-Y85 HydrophobicContact CG-CE2 4.38Å; F62-Y85 HydrophobicContact CG-CG 4.17Å; F62-Y85 AromaticContact CG-CZ 3.78Å; F62-Y85 AromaticContact CZ-CD1 3.68Å; F62-Y85 HydrophobicContact CZ-CD1 3.68Å; F62-Y85 HydrophobicContact CZ-CE1 4.32Å; F62-Y85 HydrophobicContact CZ-CG 4.31Å; A81-Y85 PolarHBondContact O-N 3.19Å; G82-Y85 WeakPolarHBondContact O-CB 3.45Å; G82-Y85 PolarHBondContact O-N 3.15Å; I83-Y85 VanDerWaalsContact C-N 3.27Å; I83-Y85 PolarHBondContact O-N 2.9Å; Y85-L87 PolarHBondContact O-N 2.93Å; Y85-V88 PolarHBondContact O-N 3.24Å; Y85-R89 VanDerWaalsContact O-CB 3.27Å; Y85-R89 WeakPolarHBondContact O-CB 3.35Å; Y85-R89 PolarHBondContact O-N 3.41Å; Y85-I113 HydrophobicContact CD2-CB 4.49Å; Y85-I114 HydrophobicContact CD2-CG1 4.3Å; Y85-I114 HydrophobicContact CE2-CD1 3.84Å; Y85-I114 HydrophobicContact CE2-CG1 3.93Å
86L94.6Very high91.3Very high8 Ų843.3 Ų43.34%0.04222%0.222CC..Hα-helixtrans-63.9-39.1178.2-60.5179.6000112.5V16 I19 S20 Q23 F62 G82 I83 I84 R89 Q90V16-L86 HydrophobicContact CG1-CD1 3.93Å; I19-L86 HydrophobicContact CB-CD1 4.06Å; I19-L86 HydrophobicContact CG2-CD1 3.76Å; S20-L86 VanDerWaalsContact CB-CD2 3.4Å; Q23-L86 PolarHBondContact NE2-O 2.77Å; F62-L86 HydrophobicContact CE1-CD2 4.26Å; F62-L86 HydrophobicContact CZ-CD2 4.45Å; G82-L86 WeakPolarHBondContact O-CG 3.46Å; G82-L86 PolarHBondContact O-N 3.36Å; I83-L86 PolarHBondContact O-N 3.38Å; I83-L86 VanDerWaalsContact O-N 3.15Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.21Å; L86-R89 PolarHBondContact O-N 3.17Å; L86-Q90 PolarHBondContact O-N 3.05Å
87L92.6Very high90.3Very high109 Ų10943.8 Ų43.857%0.57122%0.217SC*.Hα-helixtrans-63.7-42.9175.7-67.3176.6000111.9I83 I84 Y85 R89 Q90 K91I83-L87 HydrophobicContact CG2-CD1 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.48Å; I83-L87 PolarHBondContact O-N 3.01Å; I84-L87 PolarHBondContact O-N 3.31Å; Y85-L87 PolarHBondContact O-N 2.93Å; L87-R89 VanDerWaalsContact C-N 3.35Å; L87-Q90 WeakPolarHBondContact O-CB 3.5Å; L87-Q90 PolarHBondContact O-N 3.09Å; L87-K91 PolarHBondContact O-N 3.3Å
88V91.7Very high89.1Confident18 Ų1844.1 Ų44.111%0.10923%0.229CC..Hα-helixtrans-67.2-40.61791720000110.5I84 Y85 Q90 K91 Y92 G106 F109 I113I84-V88 HydrophobicContact CG2-CG2 4.22Å; I84-V88 WeakPolarHBondContact O-CG2 3.16Å; I84-V88 PolarHBondContact O-N 3.22Å; Y85-V88 PolarHBondContact O-N 3.24Å; V88-Q90 VanDerWaalsContact C-N 3.34Å; V88-Q90 PolarHBondContact O-N 3.02Å; V88-K91 PolarHBondContact O-N 2.99Å; V88-Y92 WeakPolarHBondContact O-CB 3.4Å; V88-Y92 PolarHBondContact O-N 3.42Å; V88-G106 WeakPolarHBondContact CG1-O 3.36Å; V88-F109 HydrophobicContact CB-CD1 4.25Å; V88-F109 HydrophobicContact CG1-CB 4.14Å; V88-F109 HydrophobicContact CG1-CD1 4Å; V88-F109 HydrophobicContact CG2-CD1 3.3Å; V88-F109 HydrophobicContact CG2-CE1 3.64Å; V88-F109 HydrophobicContact CG2-CG 4.4Å; V88-I113 HydrophobicContact CG2-CD1 4.12Å
89R90.9Very high87.6Confident9 Ų950.2 Ų50.23%0.03426%0.258CS..Hα-helixtrans-61.9-39.9173.9-172.5174.4-178.2-116.27.8112N24 F27 C55 Y85 L86 L87 Y92 F93N24-R89 PolarHBondContact OD1-NH1 3.03Å; N24-R89 PolarHBondContact OD1-NH2 2.96Å; F27-R89 HydrophobicContact CE2-CG 3.98Å; F27-R89 HydrophobicContact CZ-CG 4.34Å; C55-R89 PolarHBondContact O-NH2 2.92Å; Y85-R89 VanDerWaalsContact O-CB 3.27Å; Y85-R89 WeakPolarHBondContact O-CB 3.35Å; Y85-R89 PolarHBondContact O-N 3.41Å; L86-R89 PolarHBondContact O-N 3.17Å; L87-R89 VanDerWaalsContact C-N 3.35Å; R89-Y92 WeakPolarHBondContact O-CB 3.27Å; R89-Y92 PolarHBondContact O-N 3.01Å; R89-F93 PolarHBondContact O-N 3.19Å
90Q89.8Confident85.8Confident52 Ų5253.2 Ų53.224%0.24328%0.278CS..Hα-helixtrans-62.9-47.6174.1-165.769.2500111.4L86 L87 V88 Y92 F93 I94L86-Q90 PolarHBondContact O-N 3.05Å; L87-Q90 WeakPolarHBondContact O-CB 3.5Å; L87-Q90 PolarHBondContact O-N 3.09Å; V88-Q90 VanDerWaalsContact C-N 3.34Å; V88-Q90 PolarHBondContact O-N 3.02Å; Q90-Y92 VanDerWaalsContact C-N 3.32Å; Q90-Y92 PolarHBondContact O-N 3.36Å; Q90-F93 PolarHBondContact O-N 3.11Å; Q90-I94 HydrophobicContact CG-CD1 3.95Å; Q90-I94 WeakPolarHBondContact O-CG1 3.47Å; Q90-I94 PolarHBondContact O-N 3.37Å
91K88.8Confident84Confident161 Ų16151 Ų5170%0.728%0.281SS*.Hα-helixtrans-62.4-39.5177.1-73.6-173.6177.5-176.50112L87 V88 G95L87-K91 PolarHBondContact O-N 3.3Å; V88-K91 PolarHBondContact O-N 2.99Å; K91-G95 PolarHBondContact O-N 3.35Å
92Y86.6Confident82.3Confident17 Ų1757 Ų577%0.06731%0.307CS..Hα-helixtrans-59.5-48.7174.8172.4-95.2000111.5N54 V88 R89 Q90 G95 Y96 S103 Y107N54-Y92 HydrophobicContact CB-CE1 4.43Å; N54-Y92 PolarHBondContact ND2-OH 3.49Å; V88-Y92 WeakPolarHBondContact O-CB 3.4Å; V88-Y92 PolarHBondContact O-N 3.42Å; R89-Y92 WeakPolarHBondContact O-CB 3.27Å; R89-Y92 PolarHBondContact O-N 3.01Å; Q90-Y92 VanDerWaalsContact C-N 3.32Å; Q90-Y92 PolarHBondContact O-N 3.36Å; Y92-G95 PolarHBondContact O-N 2.93Å; Y92-Y96 HydrophobicContact CD1-CD2 4.38Å; Y92-Y96 HydrophobicContact CD2-CD2 4.24Å; Y92-Y96 HydrophobicContact CD2-CE2 4.17Å; Y92-Y96 AromaticContact CE1-CD2 3.95Å; Y92-Y96 HydrophobicContact CE1-CD2 3.95Å; Y92-Y96 HydrophobicContact CE1-CE2 4.01Å; Y92-Y96 AromaticContact CE2-CD2 3.79Å; Y92-Y96 HydrophobicContact CE2-CD2 3.79Å; Y92-Y96 AromaticContact CE2-CE2 3.33Å; Y92-Y96 HydrophobicContact CE2-CE2 3.33Å; Y92-Y96 AromaticContact CZ-CD2 3.64Å; Y92-Y96 AromaticContact CZ-CE2 3.23Å; Y92-Y96 PolarHBondContact O-N 3Å; Y92-Y96 WeakPolarHBondContact OH-CE2 3.33Å; Y92-S103 VanDerWaalsContact CD2-O 3.32Å; Y92-S103 WeakPolarHBondContact CD2-O 3.44Å; Y92-Y107 HydrophobicContact CE2-CD2 4.31Å; Y92-Y107 HydrophobicContact CE2-CG 4.4Å
93F86.1Confident80.7Confident1 Ų157.2 Ų57.20%0.00431%0.309CS..Hα-helixtrans-64.4-44.2-179.9-172.5-94.8000112.4F27 K30 V48 A51 N52 R89 Q90 Y96 L97F27-F93 HydrophobicContact CB-CD2 4.49Å; F27-F93 HydrophobicContact CB-CE2 3.99Å; F27-F93 HydrophobicContact CB-CZ 4.09Å; F27-F93 HydrophobicContact CD1-CB 4.32Å; F27-F93 AromaticContact CD1-CD1 3.55Å; F27-F93 HydrophobicContact CD1-CD1 3.55Å; F27-F93 AromaticContact CD1-CD2 3.85Å; F27-F93 HydrophobicContact CD1-CD2 3.85Å; F27-F93 AromaticContact CD1-CE1 3.67Å; F27-F93 HydrophobicContact CD1-CE1 3.67Å; F27-F93 AromaticContact CD1-CE2 3.97Å; F27-F93 HydrophobicContact CD1-CE2 3.97Å; F27-F93 AromaticContact CD1-CG 3.63Å; F27-F93 HydrophobicContact CD1-CG 3.63Å; F27-F93 AromaticContact CD1-CZ 3.88Å; F27-F93 HydrophobicContact CD1-CZ 3.88Å; F27-F93 HydrophobicContact CD2-CD2 4.23Å; F27-F93 HydrophobicContact CE1-CB 3.67Å; F27-F93 AromaticContact CE1-CD1 3.54Å; F27-F93 HydrophobicContact CE1-CD1 3.54Å; F27-F93 HydrophobicContact CE1-CD2 4.06Å; F27-F93 HydrophobicContact CE1-CE1 4.15Å; F27-F93 AromaticContact CE1-CG 3.48Å; F27-F93 HydrophobicContact CE1-CG 3.48Å; F27-F93 VanDerWaalsContact CE1-CG 3.48Å; F27-F93 HydrophobicContact CE2-CB 4.36Å; F27-F93 HydrophobicContact CE2-CD2 4.4Å; F27-F93 HydrophobicContact CE2-CG 4.42Å; F27-F93 HydrophobicContact CG-CD1 4.44Å; F27-F93 AromaticContact CG-CD2 3.95Å; F27-F93 HydrophobicContact CG-CD2 3.95Å; F27-F93 HydrophobicContact CG-CE1 4.41Å; F27-F93 AromaticContact CG-CE2 3.94Å; F27-F93 HydrophobicContact CG-CE2 3.94Å; F27-F93 HydrophobicContact CG-CG 4.21Å; F27-F93 HydrophobicContact CG-CZ 4.17Å; F27-F93 HydrophobicContact CZ-CB 3.69Å; F27-F93 HydrophobicContact CZ-CD1 4.41Å; F27-F93 HydrophobicContact CZ-CD2 4.33Å; F27-F93 AromaticContact CZ-CG 3.91Å; F27-F93 HydrophobicContact CZ-CG 3.91Å; K30-F93 HydrophobicContact CB-CE1 4.21Å; K30-F93 HydrophobicContact CB-CZ 4.22Å; K30-F93 HydrophobicContact CG-CE1 3.98Å; K30-F93 HydrophobicContact CG-CZ 4.25Å; V48-F93 HydrophobicContact CG1-CE2 4.29Å; V48-F93 HydrophobicContact CG1-CZ 3.77Å; A51-F93 HydrophobicContact CB-CD2 3.94Å; A51-F93 HydrophobicContact CB-CE2 4.23Å; N52-F93 HydrophobicContact CB-CE2 4.18Å; R89-F93 PolarHBondContact O-N 3.19Å; Q90-F93 PolarHBondContact O-N 3.11Å; F93-Y96 WeakPolarHBondContact O-CB 3.47Å; F93-Y96 PolarHBondContact O-N 3.41Å; F93-L97 HydrophobicContact CD1-CD1 3.97Å; F93-L97 HydrophobicContact CE1-CD1 3.81Å; F93-L97 PolarHBondContact O-N 2.72Å
94I84.1Confident79.1Confident94 Ų9458.1 Ų58.148%0.48232%0.317SS..Hα-helixtrans-66.8-38.3176.4-64.7169.8000111.3Q90 Y96 L97 G98Q90-I94 HydrophobicContact CG-CD1 3.95Å; Q90-I94 WeakPolarHBondContact O-CG1 3.47Å; Q90-I94 PolarHBondContact O-N 3.37Å; I94-Y96 VanDerWaalsContact C-N 3.3Å; I94-Y96 PolarHBondContact O-N 2.74Å; I94-L97 WeakPolarHBondContact O-CB 3.5Å; I94-L97 PolarHBondContact O-N 2.96Å; I94-L97 VanDerWaalsContact O-N 3.12Å; I94-G98 PolarHBondContact O-N 3.39Å
95G82.8Confident77.7Confident9 Ų959.9 Ų59.99%0.09333%0.332CS..Hα-helixtrans-59.8-40.7174.500000112.2K91 Y92 L97 G98 Q99K91-G95 PolarHBondContact O-N 3.35Å; Y92-G95 PolarHBondContact O-N 2.93Å; G95-L97 VanDerWaalsContact C-N 3.29Å; G95-L97 PolarHBondContact O-N 3.42Å; G95-G98 PolarHBondContact O-N 3.45Å; G95-Q99 CarbonylContact O-C 3.53Å; G95-Q99 PolarHBondContact O-N 2.89Å; G95-Q99 VanDerWaalsContact O-N 3.08Å
96Y75.7Confident76.5Confident49 Ų4960 Ų6019%0.19234%0.336CS..Hα-helixtrans-63.6-30.3174.8-103.8-93.1000113.9A51 Y92 F93 I94 S103A51-Y96 HydrophobicContact CB-CD1 3.89Å; A51-Y96 HydrophobicContact CB-CD2 4.25Å; A51-Y96 HydrophobicContact CB-CG 3.66Å; Y92-Y96 HydrophobicContact CD1-CD2 4.38Å; Y92-Y96 HydrophobicContact CD2-CD2 4.24Å; Y92-Y96 HydrophobicContact CD2-CE2 4.17Å; Y92-Y96 AromaticContact CE1-CD2 3.95Å; Y92-Y96 HydrophobicContact CE1-CD2 3.95Å; Y92-Y96 HydrophobicContact CE1-CE2 4.01Å; Y92-Y96 AromaticContact CE2-CD2 3.79Å; Y92-Y96 HydrophobicContact CE2-CD2 3.79Å; Y92-Y96 AromaticContact CE2-CE2 3.33Å; Y92-Y96 HydrophobicContact CE2-CE2 3.33Å; Y92-Y96 AromaticContact CZ-CD2 3.64Å; Y92-Y96 AromaticContact CZ-CE2 3.23Å; Y92-Y96 PolarHBondContact O-N 3Å; Y92-Y96 WeakPolarHBondContact OH-CE2 3.33Å; F93-Y96 WeakPolarHBondContact O-CB 3.47Å; F93-Y96 PolarHBondContact O-N 3.41Å; I94-Y96 VanDerWaalsContact C-N 3.3Å; I94-Y96 PolarHBondContact O-N 2.74Å; Y96-S103 WeakPolarHBondContact CD2-OG 3.37Å; Y96-S103 WeakPolarHBondContact CE2-OG 3.38Å
97L73.6Confident75.4Confident65 Ų6566.2 Ų66.234%0.3436%0.36SS..Hα-helixtrans-70.9-37.4175.5-80.1159000112.3V48 F93 I94 G95V48-L97 HydrophobicContact CG2-CD2 3.19Å; V48-L97 HydrophobicContact CG2-CG 3.97Å; F93-L97 HydrophobicContact CD1-CD1 3.97Å; F93-L97 HydrophobicContact CE1-CD1 3.81Å; F93-L97 PolarHBondContact O-N 2.72Å; I94-L97 WeakPolarHBondContact O-CB 3.5Å; I94-L97 PolarHBondContact O-N 2.96Å; I94-L97 VanDerWaalsContact O-N 3.12Å; G95-L97 VanDerWaalsContact C-N 3.29Å; G95-L97 PolarHBondContact O-N 3.42Å
98G69.9Low74.6Confident57 Ų5765.5 Ų65.559%0.58836%0.356SS*.Hα-helixtrans-81.7-65.3-178.600000113.7I94 G95I94-G98 PolarHBondContact O-N 3.39Å; G95-G98 PolarHBondContact O-N 3.45Å
99Q62.6Low73.9Confident127 Ų12769.2 Ų69.259%0.59337%0.371SS*.  trans-154.4132.4-175.1-89.2172.2-17.200110.3G95 S101 Q102G95-Q99 CarbonylContact O-C 3.53Å; G95-Q99 PolarHBondContact O-N 2.89Å; G95-Q99 VanDerWaalsContact O-N 3.08Å; Q99-S101 PolarHBondContact O-N 2.91Å; Q99-S101 VanDerWaalsContact O-N 3.08Å; Q99-Q102 PolarHBondContact O-N 3.5Å
100S58.2Low73.6Confident71 Ų7169.2 Ų69.250%0.49737%0.374SS..G310 helixtrans-56.5-31.7-174.259.20000114.2Q102 S103S100-Q102 VanDerWaalsContact C-N 3.33Å; S100-Q102 PolarHBondContact O-N 3.38Å; S100-S103 PolarHBondContact O-N 3.28Å; S100-S103 PolarHBondContact O-OG 3.39Å
101S58Low73.5Confident95 Ų9573.3 Ų73.366%0.66439%0.391SS*.G310 helixtrans-66.6-29.3-177.3-168.20000113.7Q99 S103Q99-S101 PolarHBondContact O-N 2.91Å; Q99-S101 VanDerWaalsContact O-N 3.08Å; S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 3.05Å
102Q60.9Low73.6Confident133 Ų13374.3 Ų74.362%0.62139%0.39SS*.G310 helixtrans-79.5-6.9-177.1-70.6-157.5-0.600114.5Q99 S100 P105Q99-Q102 PolarHBondContact O-N 3.5Å; S100-Q102 VanDerWaalsContact C-N 3.33Å; S100-Q102 PolarHBondContact O-N 3.38Å; Q102-P105 WeakPolarHBondContact O-CD 3.33Å
103S61.2Low73.9Confident4 Ų474.2 Ų74.23%0.02839%0.391CS..G310 helixtrans-87.5-23.1-176.767.20000114.9Y92 Y96 S100 S101 P105 G106 Y107Y92-S103 VanDerWaalsContact CD2-O 3.32Å; Y92-S103 WeakPolarHBondContact CD2-O 3.44Å; Y96-S103 WeakPolarHBondContact CD2-OG 3.37Å; Y96-S103 WeakPolarHBondContact CE2-OG 3.38Å; S100-S103 PolarHBondContact O-N 3.28Å; S100-S103 PolarHBondContact O-OG 3.39Å; S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 3.05Å; S103-P105 VanDerWaalsContact C-CD 3.49Å; S103-G106 PolarHBondContact O-N 3.07Å; S103-Y107 PolarHBondContact O-N 3.3Å
104T64.5Low74.2Confident80 Ų8075.7 Ų75.749%0.49140%0.399SS..Hα-helixtrans-59.5-42.1-178.2-36.30000113.4G106 Y107 L108T104-G106 PolarHBondContact O-N 3.01Å; T104-Y107 PolarHBondContact O-N 3.46Å; T104-L108 PolarHBondContact O-N 3.31Å
105P64.8Low74.6Confident86 Ų8674.9 Ų74.956%0.55840%0.402SS*.Hα-helixtrans-63.3-39.7177.4-2132.9000112.9Q102 S103 F109Q102-P105 WeakPolarHBondContact O-CD 3.33Å; S103-P105 VanDerWaalsContact C-CD 3.49Å; P105-F109 WeakPolarHBondContact O-CB 3.38Å; P105-F109 PolarHBondContact O-N 3.49Å; P105-F109 VanDerWaalsContact O-N 3.1Å
106G69.4Low75.2Confident14 Ų1479.4 Ų79.414%0.14442%0.419CS..Hα-helixtrans-65.3-41.2179.500000112.6V88 S103 T104 F109 G110V88-G106 WeakPolarHBondContact CG1-O 3.36Å; S103-G106 PolarHBondContact O-N 3.07Å; T104-G106 PolarHBondContact O-N 3.01Å; G106-F109 PolarHBondContact O-N 3.29Å; G106-G110 PolarHBondContact O-N 2.99Å
107Y71.1Confident76.1Confident140 Ų14077.1 Ų77.155%0.54941%0.41SS..Hα-helixtrans-64.1-46.6177.9-177.9-110.3000112.7Y92 S103 T104 F109 G110 K111Y92-Y107 HydrophobicContact CE2-CD2 4.31Å; Y92-Y107 HydrophobicContact CE2-CG 4.4Å; S103-Y107 PolarHBondContact O-N 3.3Å; T104-Y107 PolarHBondContact O-N 3.46Å; Y107-F109 VanDerWaalsContact C-N 3.29Å; Y107-F109 PolarHBondContact O-N 2.91Å; Y107-G110 PolarHBondContact O-N 3.41Å; Y107-K111 PolarHBondContact O-N 2.86Å
108L75.4Confident77.1Confident93 Ų9376 Ų7649%0.48741%0.408SS..Hα-helixtrans-62.8-38.7178.4-72.6172.3000111.8T104 K111 R112T104-L108 PolarHBondContact O-N 3.31Å; L108-K111 PolarHBondContact O-N 2.83Å; L108-R112 PolarHBondContact O-N 3.08Å
109F78.5Confident78.3Confident96 Ų9678.2 Ų78.242%0.42141%0.405SS..Hα-helixtrans-69.8-40.2177.8-163.5-91.2000111.8I84 V88 P105 G106 Y107 K111 R112 I113I84-F109 HydrophobicContact CG2-CE1 3.83Å; V88-F109 HydrophobicContact CB-CD1 4.25Å; V88-F109 HydrophobicContact CG1-CB 4.14Å; V88-F109 HydrophobicContact CG1-CD1 4Å; V88-F109 HydrophobicContact CG2-CD1 3.3Å; V88-F109 HydrophobicContact CG2-CE1 3.64Å; V88-F109 HydrophobicContact CG2-CG 4.4Å; P105-F109 WeakPolarHBondContact O-CB 3.38Å; P105-F109 PolarHBondContact O-N 3.49Å; P105-F109 VanDerWaalsContact O-N 3.1Å; G106-F109 PolarHBondContact O-N 3.29Å; Y107-F109 VanDerWaalsContact C-N 3.29Å; Y107-F109 PolarHBondContact O-N 2.91Å; F109-K111 VanDerWaalsContact C-N 3.3Å; F109-K111 PolarHBondContact O-N 3.48Å; F109-R112 WeakPolarHBondContact O-CB 3.39Å; F109-R112 PolarHBondContact O-N 3Å; F109-R112 VanDerWaalsContact O-N 3.13Å; F109-I113 HydrophobicContact CD1-CD1 3.82Å; F109-I113 HydrophobicContact CD1-CG1 4.31Å; F109-I113 HydrophobicContact CE1-CD1 3.81Å; F109-I113 HydrophobicContact CE1-CG1 4.22Å; F109-I113 WeakPolarHBondContact O-CG1 3.5Å; F109-I113 PolarHBondContact O-N 3.4Å
110G84.4Confident79.8Confident9 Ų972.7 Ų72.79%0.09338%0.38CS..Hα-helixtrans-58.1-41.5173.100000112.7G106 Y107 R112 I113 I114G106-G110 PolarHBondContact O-N 2.99Å; Y107-G110 PolarHBondContact O-N 3.41Å; G110-R112 VanDerWaalsContact C-N 3.33Å; G110-R112 PolarHBondContact O-N 3.07Å; G110-I113 PolarHBondContact O-N 3.4Å; G110-I114 PolarHBondContact O-N 3.38Å; G110-I114 VanDerWaalsContact O-N 3.08Å
111K87.3Confident81.5Confident138 Ų13870 Ų7060%0.636%0.36SS*.Hα-helixtrans-61.7-37.6175.2178.1175.5151.5173.60112.8Y107 L108 F109 I113 I114 S115Y107-K111 PolarHBondContact O-N 2.86Å; L108-K111 PolarHBondContact O-N 2.83Å; F109-K111 VanDerWaalsContact C-N 3.3Å; F109-K111 PolarHBondContact O-N 3.48Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I114 PolarHBondContact O-N 3.05Å; K111-S115 WeakPolarHBondContact O-CB 3.35Å; K111-S115 PolarHBondContact O-N 3.3Å
112R90.6Very high83.3Confident182 Ų18271 Ų7169%0.68736%0.357SS*.Hα-helixtrans-63.9-39.2175.3-69.4177.8-179.4-174.8-0.4111.9L108 F109 G110 S115 F116L108-R112 PolarHBondContact O-N 3.08Å; F109-R112 WeakPolarHBondContact O-CB 3.39Å; F109-R112 PolarHBondContact O-N 3Å; F109-R112 VanDerWaalsContact O-N 3.13Å; G110-R112 VanDerWaalsContact C-N 3.33Å; G110-R112 PolarHBondContact O-N 3.07Å; R112-S115 WeakPolarHBondContact O-CB 3.47Å; R112-S115 PolarHBondContact O-N 3.21Å; R112-F116 WeakPolarHBondContact O-CB 3.27Å; R112-F116 PolarHBondContact O-N 3.41Å
113I92.1Very high84.9Confident15 Ų1567.8 Ų67.88%0.07735%0.347CS..Hα-helixtrans-67.3-44.7178.5-59.2164.7000111A81 I84 Y85 V88 F109 G110 K111 S115 F116 L117A81-I113 HydrophobicContact CB-CG2 4.18Å; A81-I113 WeakPolarHBondContact O-CG2 3.31Å; I84-I113 HydrophobicContact CB-CD1 4.33Å; I84-I113 HydrophobicContact CG2-CD1 3.66Å; I84-I113 HydrophobicContact CG2-CG1 4.49Å; Y85-I113 HydrophobicContact CD2-CB 4.49Å; V88-I113 HydrophobicContact CG2-CD1 4.12Å; F109-I113 HydrophobicContact CD1-CD1 3.82Å; F109-I113 HydrophobicContact CD1-CG1 4.31Å; F109-I113 HydrophobicContact CE1-CD1 3.81Å; F109-I113 HydrophobicContact CE1-CG1 4.22Å; F109-I113 WeakPolarHBondContact O-CG1 3.5Å; F109-I113 PolarHBondContact O-N 3.4Å; G110-I113 PolarHBondContact O-N 3.4Å; K111-I113 VanDerWaalsContact C-N 3.34Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 2.96Å; I113-F116 WeakPolarHBondContact O-CB 3.36Å; I113-F116 PolarHBondContact O-N 3.41Å; I113-F116 VanDerWaalsContact O-N 3.17Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 WeakPolarHBondContact O-CG 3.07Å; I113-L117 PolarHBondContact O-N 2.98Å
114I92.8Very high86.4Confident32 Ų3267.7 Ų67.716%0.16435%0.346CS..Hα-helixtrans-58.9-44.3174.5-67.3175.5000110.1T61 V65 Y85 G110 K111 F116 L117 S118T61-I114 HydrophobicContact CG2-CG2 4.21Å; V65-I114 HydrophobicContact CG2-CG2 4.28Å; Y85-I114 HydrophobicContact CD2-CG1 4.3Å; Y85-I114 HydrophobicContact CE2-CD1 3.84Å; Y85-I114 HydrophobicContact CE2-CG1 3.93Å; G110-I114 PolarHBondContact O-N 3.38Å; G110-I114 VanDerWaalsContact O-N 3.08Å; K111-I114 PolarHBondContact O-N 3.05Å; I114-F116 VanDerWaalsContact C-N 3.32Å; I114-F116 PolarHBondContact O-N 3.44Å; I114-L117 PolarHBondContact O-N 3.2Å; I114-S118 PolarHBondContact O-N 2.91Å; I114-S118 PolarHBondContact O-OG 3.31Å; I114-S118 VanDerWaalsContact O-OG 3.07Å
115S92.8Very high87.8Confident78 Ų7868.1 Ų68.155%0.54534%0.344SS..Hα-helixtrans-60.4-40.2176.3-171.50000112.8K111 R112 I113 S118 L119K111-S115 WeakPolarHBondContact O-CB 3.35Å; K111-S115 PolarHBondContact O-N 3.3Å; R112-S115 WeakPolarHBondContact O-CB 3.47Å; R112-S115 PolarHBondContact O-N 3.21Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 2.96Å; S115-S118 PolarHBondContact O-N 3.5Å; S115-L119 PolarHBondContact O-N 3.13Å
116F94.6Very high89.2Confident104 Ų10470 Ų7046%0.45634%0.344SS..Hα-helixtrans-64.5-46.6176.6170.9-99.8000111.6A81 R112 I113 I114 S118 L119 M120A81-F116 HydrophobicContact CB-CD1 4.05Å; A81-F116 HydrophobicContact CB-CE1 4.03Å; R112-F116 WeakPolarHBondContact O-CB 3.27Å; R112-F116 PolarHBondContact O-N 3.41Å; I113-F116 WeakPolarHBondContact O-CB 3.36Å; I113-F116 PolarHBondContact O-N 3.41Å; I113-F116 VanDerWaalsContact O-N 3.17Å; I114-F116 VanDerWaalsContact C-N 3.32Å; I114-F116 PolarHBondContact O-N 3.44Å; F116-S118 VanDerWaalsContact C-N 3.35Å; F116-S118 PolarHBondContact O-N 3.47Å; F116-L119 PolarHBondContact O-N 3.1Å; F116-M120 HydrophobicContact CD1-SD 4.11Å; F116-M120 HydrophobicContact CE1-CG 4.21Å; F116-M120 HydrophobicContact CE1-SD 3.36Å; F116-M120 WeakPolarHBondContact CE1-SD 3.42Å; F116-M120 HydrophobicContact CZ-CG 4.13Å; F116-M120 HydrophobicContact CZ-SD 3.62Å; F116-M120 PolarHBondContact O-N 3.34Å
117L94.5Very high90.3Very high0 Ų074.2 Ų74.20%036%0.363CS..Hα-helixtrans-60.9-42.9175.7-72169.6000111.5F62 V65 M66 A69 A78 A81 I113 I114 L119 M120 C121F62-L117 HydrophobicContact CD2-CD1 4.26Å; F62-L117 HydrophobicContact CE2-CD1 4.25Å; V65-L117 HydrophobicContact CB-CB 4Å; V65-L117 HydrophobicContact CG2-CB 3.62Å; V65-L117 HydrophobicContact CG2-CD1 3.96Å; V65-L117 HydrophobicContact CG2-CG 4.45Å; M66-L117 HydrophobicContact CB-CD1 4.28Å; A69-L117 HydrophobicContact CB-CD2 4.01Å; A78-L117 HydrophobicContact CB-CD2 4.29Å; A81-L117 HydrophobicContact CB-CD2 3.88Å; A81-L117 HydrophobicContact CB-CG 4.24Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 WeakPolarHBondContact O-CG 3.07Å; I113-L117 PolarHBondContact O-N 2.98Å; I114-L117 PolarHBondContact O-N 3.2Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.42Å; L117-M120 HydrophobicContact CD2-SD 4.48Å; L117-M120 WeakPolarHBondContact O-CB 3.45Å; L117-M120 PolarHBondContact O-N 3.23Å; L117-C121 PolarHBondContact O-N 3.03Å; L117-C121 PolarHBondContact O-SG 3.42Å
118S94.4Very high91.2Very high42 Ų4274.7 Ų74.729%0.29437%0.365SS..Hα-helixtrans-59.8-40.2174.8-62.70000112.7I114 S115 F116 C121 I122I114-S118 PolarHBondContact O-N 2.91Å; I114-S118 PolarHBondContact O-OG 3.31Å; I114-S118 VanDerWaalsContact O-OG 3.07Å; S115-S118 PolarHBondContact O-N 3.5Å; F116-S118 VanDerWaalsContact C-N 3.35Å; F116-S118 PolarHBondContact O-N 3.47Å; S118-C121 WeakPolarHBondContact O-CB 3.46Å; S118-C121 PolarHBondContact O-N 3.44Å; S118-I122 WeakPolarHBondContact O-CG1 3.37Å; S118-I122 PolarHBondContact O-N 2.96Å; S118-I122 VanDerWaalsContact O-N 3.09Å
119L95.3Very high92Very high104 Ų10473.8 Ų73.855%0.54536%0.36SS..Hα-helixtrans-65.4-40.7176.8-172.2143.3000111.2S115 F116 L117 C121 I122 V123S115-L119 PolarHBondContact O-N 3.13Å; F116-L119 PolarHBondContact O-N 3.1Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.42Å; L119-C121 VanDerWaalsContact C-N 3.3Å; L119-C121 PolarHBondContact O-N 3.19Å; L119-I122 PolarHBondContact O-N 3.03Å; L119-V123 HydrophobicContact CD2-CG2 4.01Å; L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 2.96Å
120M95.1Very high92.5Very high11 Ų1172.2 Ų72.25%0.05436%0.356CS..Hα-helixtrans-58.9-40.9172.4-72.7-178.366.900112.3A69 L73 P77 A78 F116 L117 V123 G124A69-M120 HydrophobicContact CB-CB 3.77Å; A69-M120 HydrophobicContact CB-CE 4.4Å; A69-M120 HydrophobicContact CB-SD 4.48Å; L73-M120 HydrophobicContact CD2-CB 3.87Å; L73-M120 HydrophobicContact CD2-CE 3.98Å; L73-M120 HydrophobicContact CD2-CG 3.99Å; P77-M120 HydrophobicContact CB-CE 3.9Å; P77-M120 HydrophobicContact CB-SD 4.42Å; P77-M120 HydrophobicContact CG-CE 3.62Å; A78-M120 HydrophobicContact CB-CE 4.31Å; F116-M120 HydrophobicContact CD1-SD 4.11Å; F116-M120 HydrophobicContact CE1-CG 4.21Å; F116-M120 HydrophobicContact CE1-SD 3.36Å; F116-M120 WeakPolarHBondContact CE1-SD 3.42Å; F116-M120 HydrophobicContact CZ-CG 4.13Å; F116-M120 HydrophobicContact CZ-SD 3.62Å; F116-M120 PolarHBondContact O-N 3.34Å; L117-M120 HydrophobicContact CD2-SD 4.48Å; L117-M120 WeakPolarHBondContact O-CB 3.45Å; L117-M120 PolarHBondContact O-N 3.23Å; M120-V123 PolarHBondContact O-N 3.36Å; M120-G124 PolarHBondContact O-N 3.41Å
121C93.8Very high92.7Very high13 Ų1381.4 Ų81.49%0.08839%0.388CS..Hα-helixtrans-58.8-48.2174.7-59.40000111.6V65 C68 A69 L117 S118 L119 V123 G124 I125V65-C121 PolarHBondContact O-SG 3.02Å; V65-C121 VanDerWaalsContact O-SG 3.32Å; C68-C121 HydrophobicContact CB-CB 4.27Å; C68-C121 WeakPolarHBondContact CB-SG 3.34Å; A69-C121 PolarHBondContact N-SG 3.32Å; L117-C121 PolarHBondContact O-N 3.03Å; L117-C121 PolarHBondContact O-SG 3.42Å; S118-C121 WeakPolarHBondContact O-CB 3.46Å; S118-C121 PolarHBondContact O-N 3.44Å; L119-C121 VanDerWaalsContact C-N 3.3Å; L119-C121 PolarHBondContact O-N 3.19Å; C121-V123 VanDerWaalsContact C-N 3.34Å; C121-V123 PolarHBondContact O-N 3.24Å; C121-G124 PolarHBondContact O-N 2.76Å; C121-I125 VanDerWaalsContact O-CG1 3.31Å; C121-I125 WeakPolarHBondContact O-CG1 3.46Å; C121-I125 PolarHBondContact O-N 3.15Å
122I95.4Very high92.7Very high116 Ų11681.7 Ų81.760%0.59539%0.385SS*.Hα-helixtrans-60.3-46.7-179.5-66.5165.5000110.2S118 L119 G124 I125 F126S118-I122 WeakPolarHBondContact O-CG1 3.37Å; S118-I122 PolarHBondContact O-N 2.96Å; S118-I122 VanDerWaalsContact O-N 3.09Å; L119-I122 PolarHBondContact O-N 3.03Å; I122-G124 PolarHBondContact O-N 2.91Å; I122-I125 PolarHBondContact O-N 3.26Å; I122-F126 VanDerWaalsContact O-CB 3.27Å; I122-F126 WeakPolarHBondContact O-CB 3.47Å; I122-F126 PolarHBondContact O-N 2.94Å
123V95.4Very high92.5Very high67 Ų6779.3 Ų79.341%0.40638%0.38SS..Hα-helixtrans-62.2-43.4178.3173.10000111.2L73 L119 M120 C121 F126 N127L73-V123 HydrophobicContact CD1-CG1 4.05Å; L73-V123 HydrophobicContact CD2-CB 4.34Å; L73-V123 HydrophobicContact CD2-CG1 4.2Å; L119-V123 HydrophobicContact CD2-CG2 4.01Å; L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 2.96Å; M120-V123 PolarHBondContact O-N 3.36Å; C121-V123 VanDerWaalsContact C-N 3.34Å; C121-V123 PolarHBondContact O-N 3.24Å; V123-F126 PolarHBondContact O-N 2.92Å; V123-N127 VanDerWaalsContact O-CB 3.3Å; V123-N127 WeakPolarHBondContact O-CB 3.29Å; V123-N127 PolarHBondContact O-N 3.23Å
124G92.8Very high91.9Very high1 Ų186.3 Ų86.31%0.0141%0.407CS..Hα-helixtrans-62.4-46.8177.800000112.9C72 M120 C121 I122 F126 N127 Y128C72-G124 WeakPolarHBondContact O-CA 3.38Å; M120-G124 PolarHBondContact O-N 3.41Å; C121-G124 PolarHBondContact O-N 2.76Å; I122-G124 PolarHBondContact O-N 2.91Å; G124-F126 PolarHBondContact O-N 3.47Å; G124-N127 PolarHBondContact O-N 3.12Å; G124-Y128 PolarHBondContact O-N 2.83Å
125I93.4Very high91.3Very high89 Ų8986.4 Ų86.446%0.45642%0.415SS..Hα-helixtrans-62-45.8176.5-66.9166000110.5C121 I122 N127 Y128 L129C121-I125 VanDerWaalsContact O-CG1 3.31Å; C121-I125 WeakPolarHBondContact O-CG1 3.46Å; C121-I125 PolarHBondContact O-N 3.15Å; I122-I125 PolarHBondContact O-N 3.26Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.41Å; I125-Y128 PolarHBondContact O-N 3.32Å; I125-L129 HydrophobicContact CG2-CD1 4.05Å; I125-L129 HydrophobicContact CG2-CG 4.43Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 3.35Å
126F93.9Very high90.6Very high126 Ų12685 Ų8555%0.55341%0.406SS*.Hα-helixtrans-62.3-42.7179.3-171.4-109.7000111.6I122 V123 G124 Y128 L129 L130I122-F126 VanDerWaalsContact O-CB 3.27Å; I122-F126 WeakPolarHBondContact O-CB 3.47Å; I122-F126 PolarHBondContact O-N 2.94Å; V123-F126 PolarHBondContact O-N 2.92Å; G124-F126 PolarHBondContact O-N 3.47Å; F126-Y128 PolarHBondContact O-N 3.27Å; F126-L129 PolarHBondContact O-N 3.23Å; F126-L130 HydrophobicContact CD1-CD1 3.56Å; F126-L130 HydrophobicContact CD1-CG 4.06Å; F126-L130 HydrophobicContact CE1-CD1 3.32Å; F126-L130 HydrophobicContact CE1-CD2 4.13Å; F126-L130 HydrophobicContact CE1-CG 3.84Å; F126-L130 HydrophobicContact CE2-CD2 4.47Å; F126-L130 HydrophobicContact CE2-CG 4.47Å; F126-L130 HydrophobicContact CG-CD1 4.43Å; F126-L130 HydrophobicContact CG-CG 4.5Å; F126-L130 HydrophobicContact CZ-CD1 4Å; F126-L130 HydrophobicContact CZ-CD2 3.93Å; F126-L130 HydrophobicContact CZ-CG 4.04Å; F126-L130 WeakPolarHBondContact O-CB 3.04Å; F126-L130 VanDerWaalsContact O-CG 3.28Å; F126-L130 WeakPolarHBondContact O-CG 3.42Å; F126-L130 PolarHBondContact O-N 3.45Å
127N92.1Very high89.9Confident102 Ų10284.6 Ų84.655%0.54541%0.408SS..Hα-helixtrans-59.7-44.8176-173.8-87.5000111.9V123 G124 I125 L130 W131V123-N127 VanDerWaalsContact O-CB 3.3Å; V123-N127 WeakPolarHBondContact O-CB 3.29Å; V123-N127 PolarHBondContact O-N 3.23Å; G124-N127 PolarHBondContact O-N 3.12Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.41Å; N127-L130 PolarHBondContact O-N 3.34Å; N127-W131 WeakPolarHBondContact O-CB 3.44Å; N127-W131 PolarHBondContact O-N 3.25Å
128Y90.9Very high89.1Confident150 Ų15092.4 Ų92.459%0.58844%0.439SS*.Hα-helixtrans-61.3-45.6176.2175-100.5000112.4G124 I125 F126 W131 R132G124-Y128 PolarHBondContact O-N 2.83Å; I125-Y128 PolarHBondContact O-N 3.32Å; F126-Y128 PolarHBondContact O-N 3.27Å; Y128-W131 PolarHBondContact O-N 3.05Å; Y128-R132 WeakPolarHBondContact O-CB 3.32Å; Y128-R132 PolarHBondContact O-N 3.43Å
129L90.8Very high88.5Confident75 Ų7596.7 Ų96.739%0.39345%0.452SS..Hα-helixtrans-63.8-45.4178.2-68.7175.7000111.4I125 F126 W131 R132 F133I125-L129 HydrophobicContact CG2-CD1 4.05Å; I125-L129 HydrophobicContact CG2-CG 4.43Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 3.35Å; F126-L129 PolarHBondContact O-N 3.23Å; L129-W131 PolarHBondContact O-N 3.46Å; L129-R132 PolarHBondContact O-N 2.64Å; L129-R132 VanDerWaalsContact O-N 3.16Å; L129-F133 HydrophobicContact CB-CD2 4.36Å; L129-F133 HydrophobicContact CB-CE2 4.32Å; L129-F133 HydrophobicContact CD2-CE2 4.23Å; L129-F133 WeakPolarHBondContact O-CD2 3.49Å; L129-F133 PolarHBondContact O-N 3.21Å
130L89.4Confident88Confident62 Ų6297.6 Ų97.633%0.32545%0.453SS..Hα-helixtrans-56.5-50.7175.9-74.2175.6000111.2F126 N127 R132 F133 Y134F126-L130 HydrophobicContact CD1-CD1 3.56Å; F126-L130 HydrophobicContact CD1-CG 4.06Å; F126-L130 HydrophobicContact CE1-CD1 3.32Å; F126-L130 HydrophobicContact CE1-CD2 4.13Å; F126-L130 HydrophobicContact CE1-CG 3.84Å; F126-L130 HydrophobicContact CE2-CD2 4.47Å; F126-L130 HydrophobicContact CE2-CG 4.47Å; F126-L130 HydrophobicContact CG-CD1 4.43Å; F126-L130 HydrophobicContact CG-CG 4.5Å; F126-L130 HydrophobicContact CZ-CD1 4Å; F126-L130 HydrophobicContact CZ-CD2 3.93Å; F126-L130 HydrophobicContact CZ-CG 4.04Å; F126-L130 WeakPolarHBondContact O-CB 3.04Å; F126-L130 VanDerWaalsContact O-CG 3.28Å; F126-L130 WeakPolarHBondContact O-CG 3.42Å; F126-L130 PolarHBondContact O-N 3.45Å; N127-L130 PolarHBondContact O-N 3.34Å; L130-R132 VanDerWaalsContact C-N 3.25Å; L130-R132 PolarHBondContact O-N 3.49Å; L130-F133 PolarHBondContact O-N 3.01Å; L130-Y134 HydrophobicContact CB-CD2 4.31Å; L130-Y134 HydrophobicContact CD2-CD2 3.98Å; L130-Y134 HydrophobicContact CD2-CE2 3.56Å; L130-Y134 WeakPolarHBondContact O-CB 3.44Å; L130-Y134 WeakPolarHBondContact O-CD2 3.47Å; L130-Y134 PolarHBondContact O-N 3.48Å
131W88.8Confident87.6Confident203 Ų203104.4 Ų104.477%0.76948%0.48SS*.Hα-helixtrans-57.7-41.6177.8-178.6-100.4000111.8N127 Y128 L129 G135N127-W131 WeakPolarHBondContact O-CB 3.44Å; N127-W131 PolarHBondContact O-N 3.25Å; Y128-W131 PolarHBondContact O-N 3.05Å; L129-W131 PolarHBondContact O-N 3.46Å; W131-G135 WeakPolarHBondContact O-CA 3.33Å; W131-G135 PolarHBondContact O-N 3.25Å
132R87Confident87.4Confident144 Ų144106.4 Ų106.454%0.54349%0.492SS..Hα-helixtrans-68.4-39.2-177.9-176.362.1-178.289.3-2113.4Y128 L129 L130 S136Y128-R132 WeakPolarHBondContact O-CB 3.32Å; Y128-R132 PolarHBondContact O-N 3.43Å; L129-R132 PolarHBondContact O-N 2.64Å; L129-R132 VanDerWaalsContact O-N 3.16Å; L130-R132 VanDerWaalsContact C-N 3.25Å; L130-R132 PolarHBondContact O-N 3.49Å; R132-S136 WeakPolarHBondContact O-CB 3.36Å; R132-S136 PolarHBondContact O-N 3.39Å
133F86.1Confident87.1Confident132 Ų132105.6 Ų105.658%0.57949%0.485SS*.Hα-helixtrans-78.9-55.4179.2-72.3-65.6000111.3L129 L130 G135 S136 D137L129-F133 HydrophobicContact CB-CD2 4.36Å; L129-F133 HydrophobicContact CB-CE2 4.32Å; L129-F133 HydrophobicContact CD2-CE2 4.23Å; L129-F133 WeakPolarHBondContact O-CD2 3.49Å; L129-F133 PolarHBondContact O-N 3.21Å; L130-F133 PolarHBondContact O-N 3.01Å; F133-G135 VanDerWaalsContact C-N 3.3Å; F133-G135 PolarHBondContact O-N 2.96Å; F133-S136 WeakPolarHBondContact O-CA 3.32Å; F133-S136 VanDerWaalsContact O-CB 3.29Å; F133-S136 WeakPolarHBondContact O-CB 3.14Å; F133-S136 PolarHBondContact O-N 3.25Å; F133-D137 PolarHBondContact O-N 3.19Å; F133-D137 VanDerWaalsContact O-N 3.1Å
134Y81.3Confident86.9Confident162 Ų162106.5 Ų106.564%0.63549%0.491SS*.Hα-helixtrans-63.5-33.8179.8-77.7-78.1000113.2L130 S136 Y138L130-Y134 HydrophobicContact CB-CD2 4.31Å; L130-Y134 HydrophobicContact CD2-CD2 3.98Å; L130-Y134 HydrophobicContact CD2-CE2 3.56Å; L130-Y134 WeakPolarHBondContact O-CB 3.44Å; L130-Y134 WeakPolarHBondContact O-CD2 3.47Å; L130-Y134 PolarHBondContact O-N 3.48Å; Y134-S136 VanDerWaalsContact C-N 3.3Å; Y134-S136 PolarHBondContact O-N 3.36Å; Y134-Y138 WeakPolarHBondContact O-CB 3.35Å; Y134-Y138 PolarHBondContact O-N 3.01Å
135G79Confident86.8Confident33 Ų33110.4 Ų110.434%0.3451%0.511SS..Hα-helixtrans-67.6-30.5173.900000113W131 F133 K139W131-G135 WeakPolarHBondContact O-CA 3.33Å; W131-G135 PolarHBondContact O-N 3.25Å; F133-G135 VanDerWaalsContact C-N 3.3Å; F133-G135 PolarHBondContact O-N 2.96Å; G135-K139 WeakPolarHBondContact O-CB 3.45Å; G135-K139 PolarHBondContact O-N 3.23Å
136S77.6Confident86.8Confident49 Ų49109.5 Ų109.534%0.34351%0.51SS..Hα-helixtrans-69.5-48.3175.1-160.30000110.7R132 F133 Y134 Y138 K139 E140R132-S136 WeakPolarHBondContact O-CB 3.36Å; R132-S136 PolarHBondContact O-N 3.39Å; F133-S136 WeakPolarHBondContact O-CA 3.32Å; F133-S136 VanDerWaalsContact O-CB 3.29Å; F133-S136 WeakPolarHBondContact O-CB 3.14Å; F133-S136 PolarHBondContact O-N 3.25Å; Y134-S136 VanDerWaalsContact C-N 3.3Å; Y134-S136 PolarHBondContact O-N 3.36Å; S136-Y138 VanDerWaalsContact C-N 3.32Å; S136-Y138 PolarHBondContact O-N 3.41Å; S136-K139 PolarHBondContact O-N 3.01Å; S136-E140 PolarHBondContact O-N 3.36Å
137D81Confident86.5Confident95 Ų95108.8 Ų108.851%0.50851%0.511SS..Hα-helixtrans-62.2-41.2-180-60.1-27000111.3F133 K139 E140 Y141F133-D137 PolarHBondContact O-N 3.19Å; F133-D137 VanDerWaalsContact O-N 3.1Å; D137-K139 PolarHBondContact O-N 3.24Å; D137-E140 PolarHBondContact O-N 2.92Å; D137-Y141 WeakPolarHBondContact O-CB 3.33Å; D137-Y141 PolarHBondContact O-N 3.42Å
138Y78.4Confident86.4Confident165 Ų165106.5 Ų106.565%0.64751%0.507SS*.Hα-helixtrans-62.4-43.7176.1-178.6-99.6000112Y134 S136 Y141 V142Y134-Y138 WeakPolarHBondContact O-CB 3.35Å; Y134-Y138 PolarHBondContact O-N 3.01Å; S136-Y138 VanDerWaalsContact C-N 3.32Å; S136-Y138 PolarHBondContact O-N 3.41Å; Y138-Y141 PolarHBondContact O-N 2.92Å; Y138-V142 HydrophobicContact CD1-CG2 4.2Å; Y138-V142 HydrophobicContact CD2-CG2 4.45Å; Y138-V142 HydrophobicContact CE1-CG2 3.74Å; Y138-V142 HydrophobicContact CE2-CG2 4.01Å; Y138-V142 WeakPolarHBondContact O-CG2 3.39Å; Y138-V142 PolarHBondContact O-N 3.41Å
139K80.8Confident86.3Confident131 Ų131101.3 Ų101.357%0.5750%0.495SS*.Hα-helixtrans-63.1-45.6179.5-170.6-174.9177.1-161.90111.3G135 S136 D137 Y141 V142 E143G135-K139 WeakPolarHBondContact O-CB 3.45Å; G135-K139 PolarHBondContact O-N 3.23Å; S136-K139 PolarHBondContact O-N 3.01Å; D137-K139 PolarHBondContact O-N 3.24Å; K139-Y141 VanDerWaalsContact C-N 3.34Å; K139-Y141 PolarHBondContact O-N 2.94Å; K139-V142 PolarHBondContact O-N 3.21Å; K139-E143 VanDerWaalsContact CE-OE1 3.22Å; K139-E143 WeakPolarHBondContact CE-OE1 3.37Å; K139-E143 IonicContact NZ-OE1 2.64Å; K139-E143 PolarHBondContact O-N 2.85Å
140E84.7Confident86.1Confident123 Ų123100.4 Ų100.458%0.57550%0.495SS*.Hα-helixtrans-63.4-40.3178.4-171.7172.3178.700111.8S136 D137 E143 T144S136-E140 PolarHBondContact O-N 3.36Å; D137-E140 PolarHBondContact O-N 2.92Å; E140-E143 PolarHBondContact O-N 3.29Å; E140-T144 WeakPolarHBondContact O-CB 3.4Å; E140-T144 PolarHBondContact O-N 3.39Å; E140-T144 PolarHBondContact O-OG1 3.42Å
141Y87.9Confident86Confident154 Ų154100.3 Ų100.360%0.60450%0.503SS*.Hα-helixtrans-63.3-46.1175.6-177.2-105.1000112.6D137 Y138 K139 T144 I145D137-Y141 WeakPolarHBondContact O-CB 3.33Å; D137-Y141 PolarHBondContact O-N 3.42Å; Y138-Y141 PolarHBondContact O-N 2.92Å; K139-Y141 VanDerWaalsContact C-N 3.34Å; K139-Y141 PolarHBondContact O-N 2.94Å; Y141-T144 PolarHBondContact O-N 3Å; Y141-I145 HydrophobicContact CD1-CD1 3.88Å; Y141-I145 HydrophobicContact CE1-CD1 3.26Å; Y141-I145 HydrophobicContact CE1-CG1 4.39Å; Y141-I145 HydrophobicContact CE2-CD1 4.07Å; Y141-I145 PolarHBondContact O-N 2.9Å
142V87.7Confident85.8Confident56 Ų5696.4 Ų96.434%0.33950%0.497SS..Hα-helixtrans-65.7-41178.4173.20000111.4Y138 K139 T144 I145 T146Y138-V142 HydrophobicContact CD1-CG2 4.2Å; Y138-V142 HydrophobicContact CD2-CG2 4.45Å; Y138-V142 HydrophobicContact CE1-CG2 3.74Å; Y138-V142 HydrophobicContact CE2-CG2 4.01Å; Y138-V142 WeakPolarHBondContact O-CG2 3.39Å; Y138-V142 PolarHBondContact O-N 3.41Å; K139-V142 PolarHBondContact O-N 3.21Å; V142-T144 VanDerWaalsContact C-N 3.33Å; V142-T144 PolarHBondContact O-N 3.48Å; V142-I145 PolarHBondContact O-N 3.47Å; V142-T146 VanDerWaalsContact O-CB 3.28Å; V142-T146 WeakPolarHBondContact O-CB 3.19Å; V142-T146 PolarHBondContact O-N 3.08Å; V142-T146 PolarHBondContact O-OG1 3.38Å
143E90.3Very high85.7Confident98 Ų9896.6 Ų96.646%0.45851%0.508SS..Hα-helixtrans-61.1-42.5174.5-79.7178.5-175.300111.3K139 E140 T146 N147K139-E143 VanDerWaalsContact CE-OE1 3.22Å; K139-E143 WeakPolarHBondContact CE-OE1 3.37Å; K139-E143 IonicContact NZ-OE1 2.64Å; K139-E143 PolarHBondContact O-N 2.85Å; E140-E143 PolarHBondContact O-N 3.29Å; E143-T146 PolarHBondContact O-N 3.08Å; E143-N147 WeakPolarHBondContact O-CB 3.39Å; E143-N147 PolarHBondContact O-N 3.13Å; E143-N147 PolarHBondContact O-ND2 2.75Å
144T91.9Very high85.7Confident86 Ų8697.3 Ų97.353%0.52852%0.517SS..Hα-helixtrans-61.9-47.5178-56.80000111.8E140 Y141 V142 N147 A148E140-T144 WeakPolarHBondContact O-CB 3.4Å; E140-T144 PolarHBondContact O-N 3.39Å; E140-T144 PolarHBondContact O-OG1 3.42Å; Y141-T144 PolarHBondContact O-N 3Å; V142-T144 VanDerWaalsContact C-N 3.33Å; V142-T144 PolarHBondContact O-N 3.48Å; T144-N147 PolarHBondContact O-N 2.94Å; T144-A148 WeakPolarHBondContact O-CB 3.47Å; T144-A148 PolarHBondContact O-N 3.21Å
145I90.6Very high85.4Confident83 Ų8395.4 Ų95.443%0.42652%0.517SS..Hα-helixtrans-64.1-44.3176.9-69.6176.7000111Y141 V142 N147 A148 A149Y141-I145 HydrophobicContact CD1-CD1 3.88Å; Y141-I145 HydrophobicContact CE1-CD1 3.26Å; Y141-I145 HydrophobicContact CE1-CG1 4.39Å; Y141-I145 HydrophobicContact CE2-CD1 4.07Å; Y141-I145 PolarHBondContact O-N 2.9Å; V142-I145 PolarHBondContact O-N 3.47Å; I145-N147 VanDerWaalsContact C-N 3.31Å; I145-N147 PolarHBondContact O-N 3.31Å; I145-A148 PolarHBondContact O-N 3Å; I145-A149 VanDerWaalsContact O-CB 3.29Å; I145-A149 WeakPolarHBondContact O-CB 3.31Å; I145-A149 PolarHBondContact O-N 3.18Å
146T91.7Very high84.7Confident71 Ų71103.1 Ų103.144%0.43656%0.561SS.*Hα-helixtrans-62.3-41.6-178.6-570000110.8V142 E143 S150V142-T146 VanDerWaalsContact O-CB 3.28Å; V142-T146 WeakPolarHBondContact O-CB 3.19Å; V142-T146 PolarHBondContact O-N 3.08Å; V142-T146 PolarHBondContact O-OG1 3.38Å; E143-T146 PolarHBondContact O-N 3.08Å; T146-S150 VanDerWaalsContact O-CB 3.3Å; T146-S150 WeakPolarHBondContact O-CB 2.99Å; T146-S150 PolarHBondContact O-N 2.74Å; T146-S150 PolarHBondContact O-OG 3.13Å
147N88.2Confident85Confident110 Ų110105.9 Ų105.959%0.58857%0.572SS**Hα-helixtrans-66-43.9176.3-71.3-22.7000111.8E143 T144 I145 S150 A151E143-N147 WeakPolarHBondContact O-CB 3.39Å; E143-N147 PolarHBondContact O-N 3.13Å; E143-N147 PolarHBondContact O-ND2 2.75Å; T144-N147 PolarHBondContact O-N 2.94Å; I145-N147 VanDerWaalsContact C-N 3.31Å; I145-N147 PolarHBondContact O-N 3.31Å; N147-S150 PolarHBondContact O-N 3.07Å; N147-A151 PolarHBondContact O-N 3.28Å
148A90.1Very high85.3Confident54 Ų54106.4 Ų106.445%0.44658%0.576SS.*Hα-helixtrans-63.8-43.317700000112.1T144 I145 A151 L152T144-A148 WeakPolarHBondContact O-CB 3.47Å; T144-A148 PolarHBondContact O-N 3.21Å; I145-A148 PolarHBondContact O-N 3Å; A148-A151 PolarHBondContact O-N 2.92Å; A148-L152 PolarHBondContact O-N 3.45Å; A148-L152 VanDerWaalsContact O-N 3.11Å
149A88.4Confident85.6Confident42 Ų42103.2 Ų103.235%0.34757%0.572SS.*Hα-helixtrans-65.6-39.7176.300000111.9I145 A151 L152 L153I145-A149 VanDerWaalsContact O-CB 3.29Å; I145-A149 WeakPolarHBondContact O-CB 3.31Å; I145-A149 PolarHBondContact O-N 3.18Å; A149-A151 VanDerWaalsContact C-N 3.33Å; A149-A151 PolarHBondContact O-N 3.46Å; A149-L152 PolarHBondContact O-N 2.9Å; A149-L153 WeakPolarHBondContact O-CB 3.15Å; A149-L153 WeakPolarHBondContact O-CG 3.41Å; A149-L153 PolarHBondContact O-N 3.27Å
150S88.3Confident85.9Confident55 Ų55101.5 Ų101.539%0.38557%0.572SS.*Hα-helixtrans-62.5-40.8175.8-59.90000111.6T146 N147 L152 L153 L154T146-S150 VanDerWaalsContact O-CB 3.3Å; T146-S150 WeakPolarHBondContact O-CB 2.99Å; T146-S150 PolarHBondContact O-N 2.74Å; T146-S150 PolarHBondContact O-OG 3.13Å; N147-S150 PolarHBondContact O-N 3.07Å; S150-L152 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.89Å; S150-L153 PolarHBondContact O-N 3.37Å; S150-L154 WeakPolarHBondContact O-CD1 3.49Å; S150-L154 VanDerWaalsContact O-CG 3.32Å; S150-L154 WeakPolarHBondContact O-CG 3.16Å; S150-L154 PolarHBondContact O-N 3.12Å
151A86.3Confident86Confident61 Ų61100.2 Ų100.250%0.50457%0.572SS.*Hα-helixtrans-64.2-38175.100000112.5N147 A148 A149 L154N147-A151 PolarHBondContact O-N 3.28Å; A148-A151 PolarHBondContact O-N 2.92Å; A149-A151 VanDerWaalsContact C-N 3.33Å; A149-A151 PolarHBondContact O-N 3.46Å; A151-L154 PolarHBondContact O-N 3.3Å
152L84.9Confident85.9Confident121 Ų12196.6 Ų96.663%0.63457%0.569SS**Hα-helixtrans-70.1-38176.5-77.3161.7000112.9A148 A149 S150 L154 L155A148-L152 PolarHBondContact O-N 3.45Å; A148-L152 VanDerWaalsContact O-N 3.11Å; A149-L152 PolarHBondContact O-N 2.9Å; S150-L152 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.89Å; L152-L154 PolarHBondContact O-N 2.81Å; L152-L155 HydrophobicContact CD2-CD1 4.11Å; L152-L155 WeakPolarHBondContact O-CB 3.26Å; L152-L155 PolarHBondContact O-N 3.44Å
153L84.8Confident85.7Confident147 Ų14799.5 Ų99.577%0.7759%0.586SS**Hα-helixtrans-69-15.6177.7-75169.3000113.7A149 S150A149-L153 WeakPolarHBondContact O-CB 3.15Å; A149-L153 WeakPolarHBondContact O-CG 3.41Å; A149-L153 PolarHBondContact O-N 3.27Å; S150-L153 PolarHBondContact O-N 3.37Å
154L85.5Confident85.4Confident148 Ų14899.6 Ų99.678%0.77560%0.596SS**THydrogen-bonded Turntrans-88-3.6176.1-71.5167.1000113.2S150 A151 L152S150-L154 WeakPolarHBondContact O-CD1 3.49Å; S150-L154 VanDerWaalsContact O-CG 3.32Å; S150-L154 WeakPolarHBondContact O-CG 3.16Å; S150-L154 PolarHBondContact O-N 3.12Å; A151-L154 PolarHBondContact O-N 3.3Å; L152-L154 PolarHBondContact O-N 2.81Å
155L74.8Confident84.8Confident121 Ų121100.8 Ų100.863%0.63460%0.601SS**  trans-77.5131.4173.1-66.6168.7000109.6L152L152-L155 HydrophobicContact CD2-CD1 4.11Å; L152-L155 WeakPolarHBondContact O-CB 3.26Å; L152-L155 PolarHBondContact O-N 3.44Å
156P64.7Low84.3Confident196 Ų196102.4 Ų102.4100%1.27362%0.617SS**  trans-70.50-173.829.5-35.7000114.4

Retrieved 156 of 156 residues in 212.7 ms (Link to these results)

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