A0A087WRW7_MOUSE Loading...

Adenosine receptor A1

Receptor for adenosine. The activity of this receptor is mediated by G proteins which inhibit adenylyl cyclase.

AlphaFold DB , UniProt , Accession A0A087WRW7, Species MOUSE (Mus musculus, Mouse), Gene Adora1, Length 178 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 low72Confident224 Ų224110.5 Ų110.5100%1.10361%0.614SS**  0128.90-72.5162.1-166.400106.8
2P47.7Very low73Confident105 Ų105108.2 Ų108.268%0.68259%0.589SS**  trans-58.5140.1176.725.7-31.7000108.7Y4P2-Y4 PolarHBondContact O-N 2.97Å; P2-Y4 VanDerWaalsContact O-N 3.13Å
3P58Low74.1Confident99 Ų99102.5 Ų102.564%0.64356%0.558SS**  trans-59121.2177.623.6-30.7000108.2I5P3-I5 VanDerWaalsContact C-N 3.34Å; P3-I5 PolarHBondContact O-N 3.17Å
4Y63.8Low75.2Confident222 Ų22298.1 Ų98.187%0.87155%0.549SS*.  trans-67.695.8172.6-81.7-90.7000107.9P2 S6P2-Y4 PolarHBondContact O-N 2.97Å; P2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-S6 PolarHBondContact O-N 2.92Å
5I72.4Confident75.9Confident92 Ų9298.3 Ų98.347%0.47255%0.547SS..  trans-67116.1173.2-59.6177.9000107P3 Q9 A10P3-I5 VanDerWaalsContact C-N 3.34Å; P3-I5 PolarHBondContact O-N 3.17Å; I5-Q9 HydrophobicContact CG2-CB 3.85Å; I5-Q9 HydrophobicContact CG2-CG 4.05Å; I5-A10 HydrophobicContact CG2-CB 3.96Å
6S84.6Confident76.3Confident59 Ų5994.6 Ų94.641%0.41352%0.524SS..  trans-65.7154.2175.971.30000110.7Y4 F8 Q9 A10Y4-S6 PolarHBondContact O-N 2.92Å; S6-F8 PolarHBondContact O-N 3.29Å; S6-Q9 WeakPolarHBondContact O-CA 3.35Å; S6-Q9 WeakPolarHBondContact O-CB 3.28Å; S6-Q9 PolarHBondContact O-N 2.84Å; S6-Q9 VanDerWaalsContact OG-CB 3.31Å; S6-Q9 WeakPolarHBondContact OG-CB 3.08Å; S6-Q9 PolarHBondContact OG-N 3.09Å; S6-Q9 VanDerWaalsContact OG-N 3.16Å; S6-A10 PolarHBondContact O-N 2.96Å
7A85.7Confident77.1Confident84 Ų8492.8 Ų92.869%0.69452%0.516SS*.Hα-helixtrans-56.3-36.2177.300000112.3A10 A11A7-A10 PolarHBondContact O-N 3.47Å; A7-A11 WeakPolarHBondContact O-CB 3.35Å; A7-A11 PolarHBondContact O-N 3.21Å
8F82.8Confident77.7Confident183 Ų18393.7 Ų93.780%0.80352%0.519SS*.Hα-helixtrans-63.8-41.3174-68.2-72.7000112.4S6 A11 Y12S6-F8 PolarHBondContact O-N 3.29Å; F8-A11 PolarHBondContact O-N 2.99Å; F8-Y12 WeakPolarHBondContact O-CB 3.34Å; F8-Y12 PolarHBondContact O-N 2.86Å
9Q83.7Confident78Confident42 Ų4293.3 Ų93.320%0.19652%0.515CS..Hα-helixtrans-68.8-41.7178-166.9175.21.200111.8I5 S6 A11 Y12 I13 N70I5-Q9 HydrophobicContact CG2-CB 3.85Å; I5-Q9 HydrophobicContact CG2-CG 4.05Å; S6-Q9 WeakPolarHBondContact O-CA 3.35Å; S6-Q9 WeakPolarHBondContact O-CB 3.28Å; S6-Q9 PolarHBondContact O-N 2.84Å; S6-Q9 VanDerWaalsContact OG-CB 3.31Å; S6-Q9 WeakPolarHBondContact OG-CB 3.08Å; S6-Q9 PolarHBondContact OG-N 3.09Å; S6-Q9 VanDerWaalsContact OG-N 3.16Å; Q9-A11 VanDerWaalsContact C-N 3.32Å; Q9-A11 PolarHBondContact O-N 3.16Å; Q9-Y12 PolarHBondContact O-N 3.24Å; Q9-I13 HydrophobicContact CG-CD1 4.2Å; Q9-I13 VanDerWaalsContact O-CG1 3.25Å; Q9-I13 WeakPolarHBondContact O-CG1 3.37Å; Q9-I13 PolarHBondContact O-N 3.39Å; Q9-N70 WeakPolarHBondContact CG-OD1 3.35Å; Q9-N70 PolarHBondContact NE2-O 3Å; Q9-N70 VanDerWaalsContact NE2-O 3.08Å; Q9-N70 PolarHBondContact NE2-OD1 3.48Å
10A86.8Confident78.4Confident53 Ų5389.5 Ų89.544%0.43850%0.496SS..Hα-helixtrans-62.1-40.5173.900000111.7I5 S6 A7 G14I5-A10 HydrophobicContact CG2-CB 3.96Å; S6-A10 PolarHBondContact O-N 2.96Å; A7-A10 PolarHBondContact O-N 3.47Å; A10-G14 PolarHBondContact O-N 2.85Å
11A87.9Confident78.9Confident53 Ų5390.8 Ų90.844%0.43850%0.502SS..Hα-helixtrans-64.4-44.8174.900000112A7 F8 Q9 G14 I15A7-A11 WeakPolarHBondContact O-CB 3.35Å; A7-A11 PolarHBondContact O-N 3.21Å; F8-A11 PolarHBondContact O-N 2.99Å; Q9-A11 VanDerWaalsContact C-N 3.32Å; Q9-A11 PolarHBondContact O-N 3.16Å; A11-G14 PolarHBondContact O-N 2.89Å; A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.42Å; A11-I15 PolarHBondContact O-N 3.29Å
12Y84.4Confident81.1Confident82 Ų8284.9 Ų84.932%0.32248%0.478SS..Hα-helixtrans-56.6-51.9174.8172.4-104.6000111.4F8 Q9 G14 I15 E16 N70F8-Y12 WeakPolarHBondContact O-CB 3.34Å; F8-Y12 PolarHBondContact O-N 2.86Å; Q9-Y12 PolarHBondContact O-N 3.24Å; Y12-G14 VanDerWaalsContact C-N 3.32Å; Y12-G14 PolarHBondContact O-N 3.4Å; Y12-I15 PolarHBondContact O-N 3.27Å; Y12-E16 HydrophobicContact CD1-CG 4.46Å; Y12-E16 HydrophobicContact CD2-CG 4.17Å; Y12-E16 HydrophobicContact CE1-CG 3.99Å; Y12-E16 HydrophobicContact CE2-CG 3.64Å; Y12-E16 VanDerWaalsContact CE2-OE1 3.27Å; Y12-E16 WeakPolarHBondContact CE2-OE1 3.45Å; Y12-E16 VanDerWaalsContact CZ-OE1 3.27Å; Y12-E16 WeakPolarHBondContact O-CB 3.47Å; Y12-E16 WeakPolarHBondContact O-CG 3.45Å; Y12-E16 PolarHBondContact O-N 3.5Å; Y12-E16 PolarHBondContact OH-OE1 2.89Å; Y12-N70 HydrophobicContact CD1-CB 4.26Å; Y12-N70 HydrophobicContact CE1-CB 3.79Å
13I87.4Confident82.7Confident34 Ų3481.3 Ų81.317%0.17446%0.455CS..Hα-helixtrans-59.7-44.2178.2-65.2168000110.7Q9 I15 E16 V17 I67 I71Q9-I13 HydrophobicContact CG-CD1 4.2Å; Q9-I13 VanDerWaalsContact O-CG1 3.25Å; Q9-I13 WeakPolarHBondContact O-CG1 3.37Å; Q9-I13 PolarHBondContact O-N 3.39Å; I13-I15 PolarHBondContact O-N 3.27Å; I13-E16 PolarHBondContact O-N 3.39Å; I13-V17 HydrophobicContact CG2-CG2 4.31Å; I13-V17 WeakPolarHBondContact O-CB 3.45Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.33Å; I13-V17 PolarHBondContact O-N 2.85Å; I13-I67 HydrophobicContact CD1-CG2 4.41Å; I13-I67 HydrophobicContact CG1-CG2 4.12Å; I13-I67 HydrophobicContact CG2-CD1 4.28Å; I13-I67 HydrophobicContact CG2-CG1 4.44Å; I13-I67 HydrophobicContact CG2-CG2 4.15Å; I13-I71 HydrophobicContact CD1-CG1 4.36Å
14G88.6Confident84.1Confident42 Ų4278.5 Ų78.543%0.43344%0.436SS..Hα-helixtrans-61.2-42178.500000113.1A10 A11 Y12 L18A10-G14 PolarHBondContact O-N 2.85Å; A11-G14 PolarHBondContact O-N 2.89Å; Y12-G14 VanDerWaalsContact C-N 3.32Å; Y12-G14 PolarHBondContact O-N 3.4Å; G14-L18 WeakPolarHBondContact O-CB 3.48Å; G14-L18 PolarHBondContact O-N 3.04Å
15I85.6Confident85.3Confident101 Ų10171.6 Ų71.652%0.51842%0.419SS..Hα-helixtrans-66.9-46.9177.3-69.2165.4000110.6A11 Y12 I13 V17 L18 I19A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.42Å; A11-I15 PolarHBondContact O-N 3.29Å; Y12-I15 PolarHBondContact O-N 3.27Å; I13-I15 PolarHBondContact O-N 3.27Å; I15-V17 PolarHBondContact O-N 3.34Å; I15-L18 WeakPolarHBondContact O-CB 3.34Å; I15-L18 PolarHBondContact O-N 3.39Å; I15-I19 HydrophobicContact CG2-CD1 3.8Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.28Å; I15-I19 PolarHBondContact O-N 3.08Å
16E83.3Confident85.9Confident39 Ų3968.9 Ų68.918%0.18241%0.413CS..Hα-helixtrans-58-47177.1-76.7-72.7-174.200111.6Y12 I13 L18 I19 A20 I63 I67Y12-E16 HydrophobicContact CD1-CG 4.46Å; Y12-E16 HydrophobicContact CD2-CG 4.17Å; Y12-E16 HydrophobicContact CE1-CG 3.99Å; Y12-E16 HydrophobicContact CE2-CG 3.64Å; Y12-E16 VanDerWaalsContact CE2-OE1 3.27Å; Y12-E16 WeakPolarHBondContact CE2-OE1 3.45Å; Y12-E16 VanDerWaalsContact CZ-OE1 3.27Å; Y12-E16 WeakPolarHBondContact O-CB 3.47Å; Y12-E16 WeakPolarHBondContact O-CG 3.45Å; Y12-E16 PolarHBondContact O-N 3.5Å; Y12-E16 PolarHBondContact OH-OE1 2.89Å; I13-E16 PolarHBondContact O-N 3.39Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 2.99Å; E16-I19 WeakPolarHBondContact O-CB 3.41Å; E16-I19 PolarHBondContact O-N 3.36Å; E16-A20 PolarHBondContact O-N 3.19Å; E16-I63 HydrophobicContact CB-CG2 3.88Å; E16-I63 WeakPolarHBondContact O-CG2 3.48Å; E16-I67 HydrophobicContact CB-CD1 4.16Å; E16-I67 HydrophobicContact CB-CG1 4.21Å
17V88.9Confident86Confident64 Ų6467.3 Ų67.339%0.38840%0.4SS..Hα-helixtrans-61.1-41.61761710000111.4I13 I15 I19 A20 L21 I67I13-V17 HydrophobicContact CG2-CG2 4.31Å; I13-V17 WeakPolarHBondContact O-CB 3.45Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.33Å; I13-V17 PolarHBondContact O-N 2.85Å; I15-V17 PolarHBondContact O-N 3.34Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 3.47Å; V17-A20 PolarHBondContact O-N 3.48Å; V17-L21 HydrophobicContact CG1-CD1 3.93Å; V17-L21 HydrophobicContact CG1-CG 4.32Å; V17-L21 WeakPolarHBondContact O-CB 3.43Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.6Å; V17-I67 HydrophobicContact CG2-CD1 3.79Å
18L89.4Confident86.1Confident108 Ų10866.5 Ų66.557%0.56539%0.386SS*.Hα-helixtrans-62.3-42.3176.1-176.665.9000111.5G14 I15 E16 L21 V22G14-L18 WeakPolarHBondContact O-CB 3.48Å; G14-L18 PolarHBondContact O-N 3.04Å; I15-L18 WeakPolarHBondContact O-CB 3.34Å; I15-L18 PolarHBondContact O-N 3.39Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 2.99Å; L18-L21 PolarHBondContact O-N 3.09Å; L18-V22 HydrophobicContact CD1-CG2 4.5Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 3.34Å
19I83.3Confident86.4Confident86 Ų8663.7 Ų63.744%0.44138%0.379SS..Hα-helixtrans-61.2-45.4175.9-67.1165.1000110.2I15 E16 V17 L21 V22 S23 I63I15-I19 HydrophobicContact CG2-CD1 3.8Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.28Å; I15-I19 PolarHBondContact O-N 3.08Å; E16-I19 WeakPolarHBondContact O-CB 3.41Å; E16-I19 PolarHBondContact O-N 3.36Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 3.47Å; I19-L21 PolarHBondContact O-N 3.16Å; I19-V22 PolarHBondContact O-N 3.18Å; I19-S23 WeakPolarHBondContact O-CB 3.5Å; I19-S23 PolarHBondContact O-N 3Å; I19-I63 HydrophobicContact CB-CD1 4.27Å; I19-I63 HydrophobicContact CG2-CD1 3.88Å
20A84.8Confident86.5Confident17 Ų1764.1 Ų64.114%0.1438%0.384CS..Hα-helixtrans-59.5-46.8176.200000112.2E16 V17 V22 S23 V24 I63E16-A20 PolarHBondContact O-N 3.19Å; V17-A20 PolarHBondContact O-N 3.48Å; A20-V22 VanDerWaalsContact C-N 3.27Å; A20-V22 PolarHBondContact O-N 2.91Å; A20-S23 PolarHBondContact O-N 2.9Å; A20-V24 WeakPolarHBondContact O-CG2 3.31Å; A20-V24 PolarHBondContact O-N 3.4Å; A20-I63 HydrophobicContact CB-CB 4.18Å; A20-I63 HydrophobicContact CB-CD1 3.69Å; A20-I63 HydrophobicContact CB-CG2 3.96Å
21L88.9Confident86.4Confident118 Ų11863.1 Ų63.162%0.61837%0.371SS*.Hα-helixtrans-65.6-27.4-178.3-75175.1000113.3V17 L18 I19 P25V17-L21 HydrophobicContact CG1-CD1 3.93Å; V17-L21 HydrophobicContact CG1-CG 4.32Å; V17-L21 WeakPolarHBondContact O-CB 3.43Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.6Å; L18-L21 PolarHBondContact O-N 3.09Å; I19-L21 PolarHBondContact O-N 3.16Å; L21-P25 WeakPolarHBondContact O-CD 3.47Å; L21-P25 WeakPolarHBondContact O-CG 3.22Å
22V84.6Confident86.3Confident100 Ų10069.1 Ų69.161%0.60638%0.383SS*.Hα-helixtrans-87.9-42.7175.41750000111L18 I19 A20 G26L18-V22 HydrophobicContact CD1-CG2 4.5Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 3.34Å; I19-V22 PolarHBondContact O-N 3.18Å; A20-V22 VanDerWaalsContact C-N 3.27Å; A20-V22 PolarHBondContact O-N 2.91Å; V22-G26 PolarHBondContact O-N 2.91Å
23S82.6Confident86.4Confident30 Ų3067.6 Ų67.621%0.2139%0.387CS..Hα-helixtrans-66.1-47.3-175-1780000112.6I19 A20 G26 N27I19-S23 WeakPolarHBondContact O-CB 3.5Å; I19-S23 PolarHBondContact O-N 3Å; A20-S23 PolarHBondContact O-N 2.9Å; S23-G26 PolarHBondContact O-N 2.87Å; S23-N27 WeakPolarHBondContact O-CB 3.34Å; S23-N27 PolarHBondContact O-N 3.44Å; S23-N27 PolarHBondContact O-ND2 3.44Å; S23-N27 PolarHBondContact OG-ND2 2.99Å
24V86.9Confident86Confident40 Ų4067.2 Ų67.224%0.24239%0.387CS..Hα-helixtrans-63.9-52.9-175.4175.40000111.5A20 G26 N27 V28 V56 A60A20-V24 WeakPolarHBondContact O-CG2 3.31Å; A20-V24 PolarHBondContact O-N 3.4Å; V24-G26 VanDerWaalsContact C-N 3.35Å; V24-G26 PolarHBondContact O-N 3.2Å; V24-N27 PolarHBondContact O-N 3.43Å; V24-V28 HydrophobicContact CG1-CG2 4.34Å; V24-V28 WeakPolarHBondContact O-CB 3.3Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.49Å; V24-V28 PolarHBondContact O-N 3.36Å; V24-V56 HydrophobicContact CG1-CG1 4.43Å; V24-A60 HydrophobicContact CG2-CB 4.43Å
25P88.7Confident85.5Confident77 Ų7773.2 Ų73.250%0.540%0.401SS..Hα-helixtrans-63.8-38.8178.7-22.736.4000112.8L21 N27 V28 L29L21-P25 WeakPolarHBondContact O-CD 3.47Å; L21-P25 WeakPolarHBondContact O-CG 3.22Å; P25-N27 PolarHBondContact O-N 2.89Å; P25-V28 PolarHBondContact O-N 3.46Å; P25-L29 WeakPolarHBondContact O-CB 3.27Å; P25-L29 PolarHBondContact O-N 2.89Å
26G85.4Confident85.3Confident34 Ų3473.3 Ų73.335%0.35141%0.406SS..Hα-helixtrans-59.4-47.9178.200000112.1V22 S23 V24 L29 V30V22-G26 PolarHBondContact O-N 2.91Å; S23-G26 PolarHBondContact O-N 2.87Å; V24-G26 VanDerWaalsContact C-N 3.35Å; V24-G26 PolarHBondContact O-N 3.2Å; G26-L29 WeakPolarHBondContact O-CB 3.5Å; G26-L29 PolarHBondContact O-N 3.23Å; G26-V30 WeakPolarHBondContact O-CG2 3.33Å; G26-V30 PolarHBondContact O-N 2.89Å
27N86.1Confident85Confident26 Ų2675.2 Ų75.214%0.13942%0.417CS..Hα-helixtrans-73.9-33.6-179.7-74-64.6000113.1S23 V24 P25 L29 V30 I31 A52 D55 V56S23-N27 WeakPolarHBondContact O-CB 3.34Å; S23-N27 PolarHBondContact O-N 3.44Å; S23-N27 PolarHBondContact O-ND2 3.44Å; S23-N27 PolarHBondContact OG-ND2 2.99Å; V24-N27 PolarHBondContact O-N 3.43Å; P25-N27 PolarHBondContact O-N 2.89Å; N27-L29 VanDerWaalsContact C-N 3.31Å; N27-L29 PolarHBondContact O-N 3.41Å; N27-V30 PolarHBondContact O-N 3.42Å; N27-I31 WeakPolarHBondContact O-CG1 3.4Å; N27-I31 PolarHBondContact O-N 3.34Å; N27-A52 HydrophobicContact CB-CB 4.08Å; N27-D55 HydrophobicContact CB-CB 4.26Å; N27-D55 VanDerWaalsContact CG-CB 3.44Å; N27-D55 WeakPolarHBondContact ND2-CB 3.48Å; N27-D55 PolarHBondContact OD1-OD2 3.27Å; N27-V56 HydrophobicContact CB-CG2 3.62Å
28V88.2Confident83.7Confident67 Ų6779 Ų7941%0.40643%0.43SS..Hα-helixtrans-61.6-41.2169.9171.10000111V24 P25 V30 I31 W32 V56V24-V28 HydrophobicContact CG1-CG2 4.34Å; V24-V28 WeakPolarHBondContact O-CB 3.3Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.49Å; V24-V28 PolarHBondContact O-N 3.36Å; P25-V28 PolarHBondContact O-N 3.46Å; V28-V30 VanDerWaalsContact C-N 3.34Å; V28-V30 PolarHBondContact O-N 3.49Å; V28-I31 PolarHBondContact O-N 3.32Å; V28-W32 WeakPolarHBondContact O-CB 3.5Å; V28-W32 PolarHBondContact O-N 2.87Å; V28-V56 HydrophobicContact CG2-CG2 3.85Å
29L89.3Confident82.3Confident125 Ų12578.3 Ų78.365%0.65444%0.44SS*.Hα-helixtrans-63.8-39.3176.4-163101.9000111.6P25 G26 N27 W32 A33P25-L29 WeakPolarHBondContact O-CB 3.27Å; P25-L29 PolarHBondContact O-N 2.89Å; G26-L29 WeakPolarHBondContact O-CB 3.5Å; G26-L29 PolarHBondContact O-N 3.23Å; N27-L29 VanDerWaalsContact C-N 3.31Å; N27-L29 PolarHBondContact O-N 3.41Å; L29-W32 PolarHBondContact O-N 3.31Å; L29-A33 WeakPolarHBondContact O-CB 2.99Å; L29-A33 PolarHBondContact O-N 3.03Å
30V85.1Confident80.9Confident50 Ų5076.9 Ų76.930%0.30343%0.433SS..Hα-helixtrans-60.7-47174170.20000110.9G26 N27 V28 W32 A33 V34 I48 A52G26-V30 WeakPolarHBondContact O-CG2 3.33Å; G26-V30 PolarHBondContact O-N 2.89Å; N27-V30 PolarHBondContact O-N 3.42Å; V28-V30 VanDerWaalsContact C-N 3.34Å; V28-V30 PolarHBondContact O-N 3.49Å; V30-W32 VanDerWaalsContact C-N 3.31Å; V30-W32 PolarHBondContact O-N 2.9Å; V30-A33 PolarHBondContact O-N 2.93Å; V30-V34 WeakPolarHBondContact O-CG2 3.47Å; V30-V34 PolarHBondContact O-N 2.92Å; V30-V34 VanDerWaalsContact O-N 3.12Å; V30-I48 HydrophobicContact CG1-CG2 3.41Å; V30-I48 VanDerWaalsContact CG1-CG2 3.41Å; V30-A52 HydrophobicContact CB-CB 4.27Å; V30-A52 HydrophobicContact CG1-CB 4.02Å
31I84.7Confident79.6Confident32 Ų3284.4 Ų84.416%0.16446%0.458CS..Hα-helixtrans-60.3-43.8176.3-64.8165.7000110.5N27 V28 K35 A52 V53N27-I31 WeakPolarHBondContact O-CG1 3.4Å; N27-I31 PolarHBondContact O-N 3.34Å; V28-I31 PolarHBondContact O-N 3.32Å; I31-K35 PolarHBondContact O-N 3.15Å; I31-A52 HydrophobicContact CD1-CB 4.04Å; I31-A52 HydrophobicContact CG1-CB 3.62Å; I31-V53 HydrophobicContact CD1-CG2 3.79Å
32W86.8Confident78.5Confident179 Ų17982.6 Ų82.668%0.67845%0.449SS*.Hα-helixtrans-61.4-50.3177.9-173.2-57.1000111.5V28 L29 V30 V34 K35 V36V28-W32 WeakPolarHBondContact O-CB 3.5Å; V28-W32 PolarHBondContact O-N 2.87Å; L29-W32 PolarHBondContact O-N 3.31Å; V30-W32 VanDerWaalsContact C-N 3.31Å; V30-W32 PolarHBondContact O-N 2.9Å; W32-V34 VanDerWaalsContact C-N 3.29Å; W32-V34 PolarHBondContact O-N 2.96Å; W32-K35 PolarHBondContact O-N 2.67Å; W32-K35 VanDerWaalsContact O-N 3.07Å; W32-V36 VanDerWaalsContact CD1-CG2 3.45Å; W32-V36 VanDerWaalsContact NE1-CG2 3.32Å; W32-V36 PolarHBondContact O-N 3.02Å
33A85.5Confident77.2Confident51 Ų5178.5 Ų78.542%0.42143%0.426SS..Hα-helixtrans-59.4-40.8-177.400000111.9L29 V30 N37L29-A33 WeakPolarHBondContact O-CB 2.99Å; L29-A33 PolarHBondContact O-N 3.03Å; V30-A33 PolarHBondContact O-N 2.93Å; A33-N37 WeakPolarHBondContact O-CB 3.4Å; A33-N37 PolarHBondContact O-N 2.91Å
34V80.1Confident76.2Confident26 Ų2678.9 Ų78.916%0.15843%0.427CS..Hα-helixtrans-69.2-36.5175.9177.90000111.7V30 W32 F45 V49V30-V34 WeakPolarHBondContact O-CG2 3.47Å; V30-V34 PolarHBondContact O-N 2.92Å; V30-V34 VanDerWaalsContact O-N 3.12Å; W32-V34 VanDerWaalsContact C-N 3.29Å; W32-V34 PolarHBondContact O-N 2.96Å; V34-F45 HydrophobicContact CG1-CB 4.01Å; V34-F45 HydrophobicContact CG2-CD1 3.95Å; V34-V49 HydrophobicContact CB-CG2 3.82Å; V34-V49 HydrophobicContact CG1-CG2 3.58Å; V34-V49 HydrophobicContact CG2-CG2 4.13Å
35K77.4Confident75.4Confident167 Ų16779.4 Ų79.473%0.72643%0.426SS*.Hα-helixtrans-66.8-39.7176.4-84.6-172.3175.4-178.30113I31 W32I31-K35 PolarHBondContact O-N 3.15Å; W32-K35 PolarHBondContact O-N 2.67Å; W32-K35 VanDerWaalsContact O-N 3.07Å
36V81.9Confident74.3Confident103 Ų10378.4 Ų78.462%0.62442%0.42SS*.Hα-helixtrans-71.4-36.1-178.3168.10000111.8W32 Q38W32-V36 VanDerWaalsContact CD1-CG2 3.45Å; W32-V36 VanDerWaalsContact NE1-CG2 3.32Å; W32-V36 PolarHBondContact O-N 3.02Å; V36-Q38 PolarHBondContact O-N 3.36Å
37N76.2Confident73.3Confident79 Ų7978.9 Ų78.942%0.42241%0.413SS..  trans-100.597.1-168.3-146.8-15.1000112.3A33 A39 L40A33-N37 WeakPolarHBondContact O-CB 3.4Å; A33-N37 PolarHBondContact O-N 2.91Å; N37-A39 PolarHBondContact O-N 2.96Å; N37-L40 HydrophobicContact CB-CD1 3.74Å; N37-L40 HydrophobicContact CB-CG 4.06Å; N37-L40 PolarHBondContact O-N 3.42Å; N37-L40 VanDerWaalsContact O-N 3.11Å
38Q61.6Low72.6Confident143 Ų14380.5 Ų80.567%0.66842%0.421SS*.G310 helixtrans-64.4-20.9179.5-68.8-172.9-9.600113.7V36 L40V36-Q38 PolarHBondContact O-N 3.36Å; Q38-L40 PolarHBondContact O-N 3.01Å
39A59.4Low71.9Confident94 Ų9479.3 Ų79.378%0.77741%0.414SS*.G310 helixtrans-68.9-14.217500000113.5N37N37-A39 PolarHBondContact O-N 2.96Å
40L55.4Low71Confident56 Ų5674.7 Ų74.729%0.29339%0.392SS..G310 helixtrans-102.828-178.9-57.8174.4000112.2N37 Q38 D42 F45N37-L40 HydrophobicContact CB-CD1 3.74Å; N37-L40 HydrophobicContact CB-CG 4.06Å; N37-L40 PolarHBondContact O-N 3.42Å; N37-L40 VanDerWaalsContact O-N 3.11Å; Q38-L40 PolarHBondContact O-N 3.01Å; L40-D42 VanDerWaalsContact C-N 3.25Å; L40-D42 PolarHBondContact O-N 3.08Å; L40-F45 HydrophobicContact CB-CD1 4Å; L40-F45 HydrophobicContact CB-CD2 4.04Å; L40-F45 HydrophobicContact CB-CE1 3.78Å; L40-F45 HydrophobicContact CB-CE2 3.79Å; L40-F45 HydrophobicContact CB-CG 4.13Å; L40-F45 HydrophobicContact CB-CZ 3.68Å; L40-F45 HydrophobicContact CD1-CE1 4.1Å; L40-F45 HydrophobicContact CD1-CZ 4.37Å; L40-F45 HydrophobicContact CD2-CE1 3.95Å; L40-F45 HydrophobicContact CD2-CE2 3.98Å; L40-F45 HydrophobicContact CD2-CZ 3.38Å; L40-F45 HydrophobicContact CG-CE1 4.15Å; L40-F45 HydrophobicContact CG-CE2 4.46Å; L40-F45 HydrophobicContact CG-CZ 3.97Å; L40-F45 WeakPolarHBondContact O-CB 3.47Å; L40-F45 WeakPolarHBondContact O-CD2 3.37Å; L40-F45 WeakPolarHBondContact O-CE2 3.26Å; L40-F45 WeakPolarHBondContact O-CG 3.39Å
41R57.6Low70.3Confident176 Ų17675 Ų7566%0.66439%0.392SS*.  trans-87.338.2179.3-76.8-177.7169.5177.7-2.4114.2Q121R41-Q121 PolarHBondContact O-NE2 3.49Å
42D64.3Low70.1Confident80 Ų8073.6 Ų73.643%0.42838%0.384SS..SBendtrans-89.6164.8176.4-142.2-24.2000111.8L40 T44 F45 K116L40-D42 VanDerWaalsContact C-N 3.25Å; L40-D42 PolarHBondContact O-N 3.08Å; D42-T44 PolarHBondContact O-N 3.2Å; D42-T44 VanDerWaalsContact O-N 3.08Å; D42-F45 HydrophobicContact CB-CD2 4.08Å; D42-F45 HydrophobicContact CB-CE2 4.31Å; D42-F45 PolarHBondContact O-N 2.81Å; D42-K116 IonicContact OD2-NZ 3.69Å
43A56.9Low69.6Low13 Ų1368.7 Ų68.711%0.10737%0.374CS..Hα-helixtrans-58.5-26.4-17400000115F45 Q121A43-F45 VanDerWaalsContact C-N 3.3Å; A43-F45 PolarHBondContact O-N 3.4Å; A43-Q121 VanDerWaalsContact CA-CG 3.46Å; A43-Q121 HydrophobicContact CB-CG 3.74Å
44T62.3Low69Low38 Ų3866.7 Ų66.723%0.23336%0.357CS..Hα-helixtrans-65.7-30.6176.7-51.60000112.5D42 F47 I48 R108D42-T44 PolarHBondContact O-N 3.2Å; D42-T44 VanDerWaalsContact O-N 3.08Å; T44-F47 PolarHBondContact O-N 3.21Å; T44-I48 HydrophobicContact CG2-CD1 4.15Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 3.5Å; T44-I48 VanDerWaalsContact O-N 3.17Å; T44-R108 PolarHBondContact OG1-NH2 3.33Å
45F70.3Confident68.9Low51 Ų5167.6 Ų67.622%0.22436%0.361CS..Hα-helixtrans-79.3-24.7-175-67.3-81.5000113.7V34 L40 D42 A43 F47 I48 V49V34-F45 HydrophobicContact CG1-CB 4.01Å; V34-F45 HydrophobicContact CG2-CD1 3.95Å; L40-F45 HydrophobicContact CB-CD1 4Å; L40-F45 HydrophobicContact CB-CD2 4.04Å; L40-F45 HydrophobicContact CB-CE1 3.78Å; L40-F45 HydrophobicContact CB-CE2 3.79Å; L40-F45 HydrophobicContact CB-CG 4.13Å; L40-F45 HydrophobicContact CB-CZ 3.68Å; L40-F45 HydrophobicContact CD1-CE1 4.1Å; L40-F45 HydrophobicContact CD1-CZ 4.37Å; L40-F45 HydrophobicContact CD2-CE1 3.95Å; L40-F45 HydrophobicContact CD2-CE2 3.98Å; L40-F45 HydrophobicContact CD2-CZ 3.38Å; L40-F45 HydrophobicContact CG-CE1 4.15Å; L40-F45 HydrophobicContact CG-CE2 4.46Å; L40-F45 HydrophobicContact CG-CZ 3.97Å; L40-F45 WeakPolarHBondContact O-CB 3.47Å; L40-F45 WeakPolarHBondContact O-CD2 3.37Å; L40-F45 WeakPolarHBondContact O-CE2 3.26Å; L40-F45 WeakPolarHBondContact O-CG 3.39Å; D42-F45 HydrophobicContact CB-CD2 4.08Å; D42-F45 HydrophobicContact CB-CE2 4.31Å; D42-F45 PolarHBondContact O-N 2.81Å; A43-F45 VanDerWaalsContact C-N 3.3Å; A43-F45 PolarHBondContact O-N 3.4Å; F45-F47 VanDerWaalsContact C-N 3.34Å; F45-I48 HydrophobicContact CD1-CD1 3.98Å; F45-I48 HydrophobicContact CE1-CD1 4.24Å; F45-I48 PolarHBondContact O-N 3.02Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.36Å; F45-V49 PolarHBondContact O-N 2.93Å
46C65.1Low69Low57 Ų5761.3 Ų61.339%0.38534%0.337SS..Hα-helixtrans-64.2-40.2168.7-85.80000111.7V49 S50C46-V49 PolarHBondContact O-N 3.45Å; C46-S50 WeakPolarHBondContact O-CB 3.47Å; C46-S50 PolarHBondContact O-N 3.17Å
47F64.3Low68.8Low43 Ų4357.6 Ų57.619%0.18932%0.317CS..Hα-helixtrans-63.3-43.7173.8-77.3-70.5000111.7T44 F45 S50 L51 V119 A124 I128T44-F47 PolarHBondContact O-N 3.21Å; F45-F47 VanDerWaalsContact C-N 3.34Å; F47-S50 PolarHBondContact O-N 3.02Å; F47-L51 WeakPolarHBondContact O-CB 3.18Å; F47-L51 PolarHBondContact O-N 3.37Å; F47-V119 HydrophobicContact CE2-CG1 3.92Å; F47-V119 HydrophobicContact CZ-CG1 4.49Å; F47-A124 HydrophobicContact CD1-CB 4.11Å; F47-A124 HydrophobicContact CD2-CB 3.66Å; F47-A124 HydrophobicContact CE1-CB 3.58Å; F47-A124 HydrophobicContact CE2-CB 3.1Å; F47-A124 HydrophobicContact CG-CB 4.16Å; F47-A124 HydrophobicContact CZ-CB 3.07Å; F47-I128 HydrophobicContact CD1-CD1 3.54Å; F47-I128 HydrophobicContact CD1-CG1 4.01Å; F47-I128 HydrophobicContact CE1-CD1 4.02Å; F47-I128 HydrophobicContact CE1-CG1 4.18Å; F47-I128 HydrophobicContact CG-CD1 4.37Å
48I71.4Confident68.6Low60 Ų6055.4 Ų55.431%0.30831%0.306SS..Hα-helixtrans-62.2-44177.8-67.4168.9000111.3V30 T44 F45 L51 A52V30-I48 HydrophobicContact CG1-CG2 3.41Å; V30-I48 VanDerWaalsContact CG1-CG2 3.41Å; T44-I48 HydrophobicContact CG2-CD1 4.15Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 3.5Å; T44-I48 VanDerWaalsContact O-N 3.17Å; F45-I48 HydrophobicContact CD1-CD1 3.98Å; F45-I48 HydrophobicContact CE1-CD1 4.24Å; F45-I48 PolarHBondContact O-N 3.02Å; I48-L51 PolarHBondContact O-N 2.94Å; I48-A52 WeakPolarHBondContact O-CB 3.25Å; I48-A52 PolarHBondContact O-N 2.84Å
49V75.1Confident69.4Low43 Ų4348.7 Ų48.726%0.26128%0.276SS..Hα-helixtrans-65.5-42.3177.8170.40000111.2V34 F45 C46 L51 A52 V53V34-V49 HydrophobicContact CB-CG2 3.82Å; V34-V49 HydrophobicContact CG1-CG2 3.58Å; V34-V49 HydrophobicContact CG2-CG2 4.13Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.36Å; F45-V49 PolarHBondContact O-N 2.93Å; C46-V49 PolarHBondContact O-N 3.45Å; V49-L51 VanDerWaalsContact C-N 3.35Å; V49-A52 PolarHBondContact O-N 3.42Å; V49-V53 WeakPolarHBondContact O-CG2 3.36Å; V49-V53 PolarHBondContact O-N 3.4Å
50S69.4Low70.6Confident28 Ų2846.7 Ų46.720%0.19626%0.259CS..Hα-helixtrans-64.9-39.4176.7-178.70000112.9C46 F47 A52 V53 A54 I128C46-S50 WeakPolarHBondContact O-CB 3.47Å; C46-S50 PolarHBondContact O-N 3.17Å; F47-S50 PolarHBondContact O-N 3.02Å; S50-A52 VanDerWaalsContact C-N 3.35Å; S50-V53 PolarHBondContact O-N 2.97Å; S50-A54 PolarHBondContact O-N 3.39Å; S50-I128 WeakPolarHBondContact OG-CG2 3.49Å
51L70.4Confident71.6Confident57 Ų5749.1 Ų49.130%0.29827%0.272SS..Hα-helixtrans-63-45.6175.4-175.466.2000110.1F47 I48 V49 V53 A54 D55 A97 I101F47-L51 WeakPolarHBondContact O-CB 3.18Å; F47-L51 PolarHBondContact O-N 3.37Å; I48-L51 PolarHBondContact O-N 2.94Å; V49-L51 VanDerWaalsContact C-N 3.35Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 3.05Å; L51-A54 WeakPolarHBondContact O-CB 3.33Å; L51-A54 PolarHBondContact O-N 3.47Å; L51-A54 VanDerWaalsContact O-N 3.09Å; L51-D55 PolarHBondContact O-N 3.22Å; L51-A97 HydrophobicContact CD1-CB 4.08Å; L51-I101 HydrophobicContact CD1-CD1 4.02Å; L51-I101 HydrophobicContact CD2-CD1 3.65Å; L51-I101 HydrophobicContact CG-CD1 4.48Å
52A80.3Confident72.5Confident1 Ų141.5 Ų41.51%0.00825%0.245CC..Hα-helixtrans-62.1-38.1177.500000112.7N27 V30 I31 I48 V49 S50 D55 V56N27-A52 HydrophobicContact CB-CB 4.08Å; V30-A52 HydrophobicContact CB-CB 4.27Å; V30-A52 HydrophobicContact CG1-CB 4.02Å; I31-A52 HydrophobicContact CD1-CB 4.04Å; I31-A52 HydrophobicContact CG1-CB 3.62Å; I48-A52 WeakPolarHBondContact O-CB 3.25Å; I48-A52 PolarHBondContact O-N 2.84Å; V49-A52 PolarHBondContact O-N 3.42Å; S50-A52 VanDerWaalsContact C-N 3.35Å; A52-D55 PolarHBondContact O-N 3.07Å; A52-V56 VanDerWaalsContact O-CG2 3.27Å; A52-V56 WeakPolarHBondContact O-CG2 3.17Å; A52-V56 PolarHBondContact O-N 3.41Å
53V77.6Confident73.3Confident77 Ų7738.1 Ų38.147%0.46723%0.226SC..Hα-helixtrans-64.4-41.1173.6171.50000111.3I31 V49 S50 L51 A57I31-V53 HydrophobicContact CD1-CG2 3.79Å; V49-V53 WeakPolarHBondContact O-CG2 3.36Å; V49-V53 PolarHBondContact O-N 3.4Å; S50-V53 PolarHBondContact O-N 2.97Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 3.05Å; V53-A57 PolarHBondContact O-N 3.37Å; V53-A57 VanDerWaalsContact O-N 3.07Å
54A71.8Confident74.5Confident8 Ų840.7 Ų40.77%0.06624%0.242CC..Hα-helixtrans-62.6-46.3175.500000111.5S50 L51 V56 A57 V58 W132S50-A54 PolarHBondContact O-N 3.39Å; L51-A54 WeakPolarHBondContact O-CB 3.33Å; L51-A54 PolarHBondContact O-N 3.47Å; L51-A54 VanDerWaalsContact O-N 3.09Å; A54-V56 PolarHBondContact O-N 3.3Å; A54-A57 WeakPolarHBondContact O-CB 3.38Å; A54-A57 PolarHBondContact O-N 3.34Å; A54-A57 VanDerWaalsContact O-N 3.1Å; A54-V58 WeakPolarHBondContact O-CG2 3.35Å; A54-V58 PolarHBondContact O-N 2.87Å; A54-W132 HydrophobicContact CB-CH2 4.4Å; A54-W132 HydrophobicContact CB-CZ2 3.67Å
55D77.3Confident75.5Confident46 Ų4640.9 Ų40.925%0.24624%0.241CC..Hα-helixtrans-68.2-33.5-178.8-68.2-25.3000112.5N27 L51 A52 V58 G59N27-D55 HydrophobicContact CB-CB 4.26Å; N27-D55 VanDerWaalsContact CG-CB 3.44Å; N27-D55 WeakPolarHBondContact ND2-CB 3.48Å; N27-D55 PolarHBondContact OD1-OD2 3.27Å; L51-D55 PolarHBondContact O-N 3.22Å; A52-D55 PolarHBondContact O-N 3.07Å; D55-V58 PolarHBondContact O-N 3.25Å; D55-G59 PolarHBondContact O-N 3.45Å
56V81.1Confident76Confident35 Ų3539.2 Ų39.221%0.21224%0.237CC..Hα-helixtrans-62.4-44.4169.1169.10000110.7V24 N27 V28 A52 A54 V58 G59 A60V24-V56 HydrophobicContact CG1-CG1 4.43Å; N27-V56 HydrophobicContact CB-CG2 3.62Å; V28-V56 HydrophobicContact CG2-CG2 3.85Å; A52-V56 VanDerWaalsContact O-CG2 3.27Å; A52-V56 WeakPolarHBondContact O-CG2 3.17Å; A52-V56 PolarHBondContact O-N 3.41Å; A54-V56 PolarHBondContact O-N 3.3Å; V56-V58 VanDerWaalsContact C-N 3.32Å; V56-V58 PolarHBondContact O-N 2.89Å; V56-G59 PolarHBondContact O-N 3.44Å; V56-A60 WeakPolarHBondContact O-CB 3.28Å; V56-A60 PolarHBondContact O-N 2.91Å
57A76.1Confident76.9Confident24 Ų2437.7 Ų37.720%0.19823%0.225CC..Hα-helixtrans-63.5-38.5177.100000111.9V53 A54 L61V53-A57 PolarHBondContact O-N 3.37Å; V53-A57 VanDerWaalsContact O-N 3.07Å; A54-A57 WeakPolarHBondContact O-CB 3.38Å; A54-A57 PolarHBondContact O-N 3.34Å; A54-A57 VanDerWaalsContact O-N 3.1Å; A57-L61 WeakPolarHBondContact O-CB 3.49Å; A57-L61 PolarHBondContact O-N 2.87Å
58V72.8Confident77.8Confident33 Ų3339.2 Ų39.220%0.223%0.234CC..Iπ-helixtrans-61.1-53.3173.6173.30000110.5A54 D55 V56 A60 V62 I63 L90A54-V58 WeakPolarHBondContact O-CG2 3.35Å; A54-V58 PolarHBondContact O-N 2.87Å; D55-V58 PolarHBondContact O-N 3.25Å; V56-V58 VanDerWaalsContact C-N 3.32Å; V56-V58 PolarHBondContact O-N 2.89Å; V58-A60 VanDerWaalsContact C-N 3.34Å; V58-A60 PolarHBondContact O-N 2.71Å; V58-V62 HydrophobicContact CB-CG2 4.3Å; V58-V62 HydrophobicContact CG1-CB 4.19Å; V58-V62 HydrophobicContact CG1-CG2 4.31Å; V58-V62 HydrophobicContact CG2-CG2 4.3Å; V58-V62 WeakPolarHBondContact O-CA 3.31Å; V58-V62 VanDerWaalsContact O-CB 3.26Å; V58-V62 WeakPolarHBondContact O-CB 3.18Å; V58-V62 PolarHBondContact O-N 3.16Å; V58-I63 PolarHBondContact O-N 2.85Å; V58-I63 VanDerWaalsContact O-N 3.16Å; V58-L90 HydrophobicContact CG2-CB 4.41Å; V58-L90 HydrophobicContact CG2-CD2 4.34Å
59G79.4Confident78.4Confident3 Ų337.4 Ų37.43%0.03123%0.225CC..Iπ-helixtrans-64.4-35.7-178.400000113.9D55 V56D55-G59 PolarHBondContact O-N 3.45Å; V56-G59 PolarHBondContact O-N 3.44Å
60A82.8Confident78.8Confident51 Ų5138.6 Ų38.642%0.42123%0.23SC..Iπ-helixtrans-87.9-29.5-174.800000114.3V24 V56 V58 P64V24-A60 HydrophobicContact CG2-CB 4.43Å; V56-A60 WeakPolarHBondContact O-CB 3.28Å; V56-A60 PolarHBondContact O-N 2.91Å; V58-A60 VanDerWaalsContact C-N 3.34Å; V58-A60 PolarHBondContact O-N 2.71Å; A60-P64 WeakPolarHBondContact O-CG 3.15Å
61L77.3Confident79.5Confident107 Ų10740.6 Ų40.656%0.5624%0.238SC*.Iπ-helixtrans-117.8-45.4-174.6-60.6174.5000112.7A57 L65A57-L61 WeakPolarHBondContact O-CB 3.49Å; A57-L61 PolarHBondContact O-N 2.87Å; L61-L65 WeakPolarHBondContact O-CB 2.77Å; L61-L65 WeakPolarHBondContact O-CD1 3.34Å; L61-L65 WeakPolarHBondContact O-CG 3.1Å; L61-L65 PolarHBondContact O-N 2.9Å
62V76.2Confident80.2Confident16 Ų1638.3 Ų38.310%0.09723%0.228CC..Iπ-helixtrans-68.8-49.6-175.6-1780000111.1V58 L65 A66 L90V58-V62 HydrophobicContact CB-CG2 4.3Å; V58-V62 HydrophobicContact CG1-CB 4.19Å; V58-V62 HydrophobicContact CG1-CG2 4.31Å; V58-V62 HydrophobicContact CG2-CG2 4.3Å; V58-V62 WeakPolarHBondContact O-CA 3.31Å; V58-V62 VanDerWaalsContact O-CB 3.26Å; V58-V62 WeakPolarHBondContact O-CB 3.18Å; V58-V62 PolarHBondContact O-N 3.16Å; V62-L65 CarbonylContact O-C 3.57Å; V62-L65 PolarHBondContact O-N 3.39Å; V62-L65 VanDerWaalsContact O-N 3.08Å; V62-A66 WeakPolarHBondContact O-CB 3.38Å; V62-A66 PolarHBondContact O-N 3.35Å; V62-L90 HydrophobicContact CG2-CB 3.38Å; V62-L90 HydrophobicContact CG2-CD1 3.07Å; V62-L90 HydrophobicContact CG2-CD2 4.48Å; V62-L90 HydrophobicContact CG2-CG 3.7Å
63I80.9Confident80.4Confident9 Ų940.2 Ų40.25%0.04624%0.24CC..Hα-helixtrans-60-46.8-174-65.8-179000111.2E16 I19 A20 V58 L65 A66 I67E16-I63 HydrophobicContact CB-CG2 3.88Å; E16-I63 WeakPolarHBondContact O-CG2 3.48Å; I19-I63 HydrophobicContact CB-CD1 4.27Å; I19-I63 HydrophobicContact CG2-CD1 3.88Å; A20-I63 HydrophobicContact CB-CB 4.18Å; A20-I63 HydrophobicContact CB-CD1 3.69Å; A20-I63 HydrophobicContact CB-CG2 3.96Å; V58-I63 PolarHBondContact O-N 2.85Å; V58-I63 VanDerWaalsContact O-N 3.16Å; I63-L65 VanDerWaalsContact C-N 3.34Å; I63-L65 PolarHBondContact O-N 3.43Å; I63-A66 PolarHBondContact O-N 2.99Å; I63-I67 HydrophobicContact CG2-CD1 3.98Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 2.91Å; I63-I67 PolarHBondContact O-N 3.47Å
64P82.8Confident80.9Confident67 Ų6743.1 Ų43.144%0.43525%0.249SC..Hα-helixtrans-59.3-39.4172.8-26.936.2000114.3A60 L68A60-P64 WeakPolarHBondContact O-CG 3.15Å; P64-L68 PolarHBondContact O-N 2.9Å
65L82.2Confident81.7Confident42 Ų4244.1 Ų44.122%0.2225%0.254CS..Hα-helixtrans-71.1-37.9178.8-67.6170000112L61 V62 I63 L68 I69 V83 P86L61-L65 WeakPolarHBondContact O-CB 2.77Å; L61-L65 WeakPolarHBondContact O-CD1 3.34Å; L61-L65 WeakPolarHBondContact O-CG 3.1Å; L61-L65 PolarHBondContact O-N 2.9Å; V62-L65 CarbonylContact O-C 3.57Å; V62-L65 PolarHBondContact O-N 3.39Å; V62-L65 VanDerWaalsContact O-N 3.08Å; I63-L65 VanDerWaalsContact C-N 3.34Å; I63-L65 PolarHBondContact O-N 3.43Å; L65-L68 WeakPolarHBondContact O-CB 3.15Å; L65-L68 PolarHBondContact O-N 3.06Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-I69 WeakPolarHBondContact O-CG1 3.23Å; L65-I69 PolarHBondContact O-N 3.3Å; L65-V83 HydrophobicContact CB-CG1 4.39Å; L65-V83 HydrophobicContact CD2-CG1 3.98Å; L65-V83 HydrophobicContact CD2-CG2 4.43Å; L65-P86 HydrophobicContact CD1-CB 3.69Å; L65-P86 HydrophobicContact CD1-CG 3.98Å
66A80.9Confident82.4Confident16 Ų1647.7 Ų47.713%0.13227%0.265CS..Hα-helixtrans-63.5-42175.200000111.2V62 I63 L68 I69 N70V62-A66 WeakPolarHBondContact O-CB 3.38Å; V62-A66 PolarHBondContact O-N 3.35Å; I63-A66 PolarHBondContact O-N 2.99Å; A66-L68 VanDerWaalsContact C-N 3.31Å; A66-L68 PolarHBondContact O-N 2.91Å; A66-I69 PolarHBondContact O-N 3.11Å; A66-N70 VanDerWaalsContact O-CB 3.26Å; A66-N70 WeakPolarHBondContact O-CB 3.36Å; A66-N70 PolarHBondContact O-N 3.21Å
67I84.4Confident82.7Confident25 Ų2546.1 Ų46.113%0.12826%0.255CS..Hα-helixtrans-60.3-42.7172-68.2164.2000110.4I13 E16 V17 I63 N70 I71I13-I67 HydrophobicContact CD1-CG2 4.41Å; I13-I67 HydrophobicContact CG1-CG2 4.12Å; I13-I67 HydrophobicContact CG2-CD1 4.28Å; I13-I67 HydrophobicContact CG2-CG1 4.44Å; I13-I67 HydrophobicContact CG2-CG2 4.15Å; E16-I67 HydrophobicContact CB-CD1 4.16Å; E16-I67 HydrophobicContact CB-CG1 4.21Å; V17-I67 HydrophobicContact CG2-CD1 3.79Å; I63-I67 HydrophobicContact CG2-CD1 3.98Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 2.91Å; I63-I67 PolarHBondContact O-N 3.47Å; I67-N70 PolarHBondContact O-N 3.49Å; I67-I71 HydrophobicContact CG2-CD1 3.86Å; I67-I71 HydrophobicContact CG2-CG1 4.5Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.29Å; I67-I71 PolarHBondContact O-N 3.13Å
68L84.2Confident83.3Confident75 Ų7549.3 Ų49.339%0.39327%0.266SS..Hα-helixtrans-62.7-44.8178.5-172.866.2000112.4P64 L65 A66 N70 I71 G72 P73 V83P64-L68 PolarHBondContact O-N 2.9Å; L65-L68 WeakPolarHBondContact O-CB 3.15Å; L65-L68 PolarHBondContact O-N 3.06Å; L65-L68 VanDerWaalsContact O-N 3.15Å; A66-L68 VanDerWaalsContact C-N 3.31Å; A66-L68 PolarHBondContact O-N 2.91Å; L68-N70 VanDerWaalsContact C-N 3.33Å; L68-I71 PolarHBondContact O-N 3.37Å; L68-G72 PolarHBondContact O-N 3.33Å; L68-P73 HydrophobicContact CD1-CG 4.13Å; L68-P73 HydrophobicContact CG-CG 4.47Å; L68-P73 WeakPolarHBondContact O-CD 3.5Å; L68-V83 HydrophobicContact CD2-CG1 4.14Å; L68-V83 HydrophobicContact CD2-CG2 4.27Å
69I82.8Confident84.1Confident23 Ų2350.4 Ų50.412%0.11827%0.273CS..Hα-helixtrans-63.9-41175.2-63.7171000110.4L65 A66 I71 G72 V83 A84 V87L65-I69 WeakPolarHBondContact O-CG1 3.23Å; L65-I69 PolarHBondContact O-N 3.3Å; A66-I69 PolarHBondContact O-N 3.11Å; I69-I71 VanDerWaalsContact C-N 3.33Å; I69-I71 PolarHBondContact O-N 3.49Å; I69-G72 WeakPolarHBondContact O-CA 2.98Å; I69-G72 PolarHBondContact O-N 3.46Å; I69-V83 HydrophobicContact CD1-CG1 3.98Å; I69-V83 HydrophobicContact CG1-CG1 3.58Å; I69-A84 HydrophobicContact CD1-CB 4.32Å; I69-V87 HydrophobicContact CD1-CG2 3.81Å
70N83.3Confident84.6Confident67 Ų6750.3 Ų50.336%0.35827%0.272SS..Hα-helixtrans-65.2-35.4179.8-175.6-88.4000112.8Q9 Y12 A66 I67 L68 G72Q9-N70 WeakPolarHBondContact CG-OD1 3.35Å; Q9-N70 PolarHBondContact NE2-O 3Å; Q9-N70 VanDerWaalsContact NE2-O 3.08Å; Q9-N70 PolarHBondContact NE2-OD1 3.48Å; Y12-N70 HydrophobicContact CD1-CB 4.26Å; Y12-N70 HydrophobicContact CE1-CB 3.79Å; A66-N70 VanDerWaalsContact O-CB 3.26Å; A66-N70 WeakPolarHBondContact O-CB 3.36Å; A66-N70 PolarHBondContact O-N 3.21Å; I67-N70 PolarHBondContact O-N 3.49Å; L68-N70 VanDerWaalsContact C-N 3.33Å; N70-G72 PolarHBondContact O-N 2.91Å
71I84.9Confident84.8Confident71 Ų7148.2 Ų48.236%0.36425%0.253SS..Hα-helixtrans-65.7-31.7171.6-68.7165.5000110.8I13 I67 L68 I69I13-I71 HydrophobicContact CD1-CG1 4.36Å; I67-I71 HydrophobicContact CG2-CD1 3.86Å; I67-I71 HydrophobicContact CG2-CG1 4.5Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.29Å; I67-I71 PolarHBondContact O-N 3.13Å; L68-I71 PolarHBondContact O-N 3.37Å; I69-I71 VanDerWaalsContact C-N 3.33Å; I69-I71 PolarHBondContact O-N 3.49Å
72G84.4Confident85.4Confident8 Ų848.2 Ų48.28%0.08225%0.252CS..  trans61.356.7175.700000113.8L68 I69 N70 K168 C169L68-G72 PolarHBondContact O-N 3.33Å; I69-G72 WeakPolarHBondContact O-CA 2.98Å; I69-G72 PolarHBondContact O-N 3.46Å; N70-G72 PolarHBondContact O-N 2.91Å; G72-K168 WeakPolarHBondContact O-CG 3.25Å; G72-C169 WeakPolarHBondContact CA-O 3.44Å
73P86.1Confident85.9Confident42 Ų4248.5 Ų48.527%0.27325%0.253SS..  trans-62.7152175.528.4-34.5000111.3L68 T75 C169L68-P73 HydrophobicContact CD1-CG 4.13Å; L68-P73 HydrophobicContact CG-CG 4.47Å; L68-P73 WeakPolarHBondContact O-CD 3.5Å; P73-T75 HydrophobicContact CB-CG2 4.15Å; P73-T75 HydrophobicContact CG-CG2 3.98Å; P73-T75 PolarHBondContact O-N 3.46Å; P73-C169 WeakPolarHBondContact O-CB 3.24Å; P73-C169 PolarHBondContact O-N 2.91Å
74Q87.3Confident86.2Confident137 Ų13748.1 Ų48.164%0.6425%0.252SS*.EExtended strand (participates in β ladder)trans-69.5115.2168.5-71.3-95.2-17.600108.2V166 I167Q74-V166 HydrophobicContact CB-CG1 4.19Å; Q74-I167 WeakPolarHBondContact CA-O 3.19Å
75T89.7Confident86.4Confident30 Ų3045 Ų4518%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-141.8163.6-178.159.90000110.1P73 I167P73-T75 HydrophobicContact CB-CG2 4.15Å; P73-T75 HydrophobicContact CG-CG2 3.98Å; P73-T75 PolarHBondContact O-N 3.46Å; T75-I167 PolarHBondContact N-O 3.29Å; T75-I167 PolarHBondContact O-N 2.92Å; T75-I167 VanDerWaalsContact O-O 3.05Å
76Y90.9Very high86.5Confident121 Ų12144.7 Ų44.748%0.47523%0.232SC..EExtended strand (participates in β ladder)trans-62.2147.8169.4-59.6-73.5000110.6H78 T79 C80 E164 V166Y76-H78 VanDerWaalsContact C-N 3.28Å; Y76-H78 PolarHBondContact O-N 2.78Å; Y76-T79 WeakPolarHBondContact O-CB 3.27Å; Y76-T79 PolarHBondContact O-N 3.27Å; Y76-C80 PolarHBondContact O-N 3.35Å; Y76-C80 VanDerWaalsContact O-N 3.08Å; Y76-E164 HydrophobicContact CD1-CB 3.84Å; Y76-E164 WeakPolarHBondContact CD1-OE2 3.29Å; Y76-E164 HydrophobicContact CE1-CB 4.16Å; Y76-V166 HydrophobicContact CD1-CG2 4.06Å; Y76-V166 HydrophobicContact CE1-CG2 3.95Å
77F88.4Confident86.6Confident2 Ų245 Ų451%0.00923%0.232CC..Hα-helixtrans-49.9-48.3179.1-177.8-83.7000112.4T79 C80 L81 N147 L149 V152 P165 I167 V174F77-T79 VanDerWaalsContact C-N 3.34Å; F77-T79 PolarHBondContact O-N 3.34Å; F77-C80 PolarHBondContact O-N 2.92Å; F77-L81 HydrophobicContact CE1-CB 4.47Å; F77-L81 HydrophobicContact CE1-CD2 4.14Å; F77-L81 WeakPolarHBondContact O-CB 3.27Å; F77-L81 PolarHBondContact O-N 3.05Å; F77-N147 HydrophobicContact CE1-CB 4.31Å; F77-N147 HydrophobicContact CZ-CB 4.03Å; F77-L149 HydrophobicContact CB-CD1 4.17Å; F77-L149 HydrophobicContact CD1-CB 4.13Å; F77-L149 HydrophobicContact CD1-CD1 3.55Å; F77-L149 HydrophobicContact CD1-CG 4.32Å; F77-L149 HydrophobicContact CD2-CD1 4.24Å; F77-L149 HydrophobicContact CE1-CB 3.59Å; F77-L149 HydrophobicContact CE1-CD1 3.95Å; F77-L149 HydrophobicContact CE1-CG 4.25Å; F77-L149 HydrophobicContact CE2-CB 4.32Å; F77-L149 HydrophobicContact CG-CD1 3.72Å; F77-L149 HydrophobicContact CZ-CB 3.71Å; F77-L149 HydrophobicContact CZ-CD1 4.46Å; F77-L149 VanDerWaalsContact CZ-N 3.34Å; F77-V152 HydrophobicContact CD2-CB 4.29Å; F77-V152 HydrophobicContact CD2-CG1 4.21Å; F77-V152 HydrophobicContact CD2-CG2 4.23Å; F77-V152 HydrophobicContact CE2-CB 4.44Å; F77-V152 HydrophobicContact CE2-CG2 4.1Å; F77-P165 HydrophobicContact CB-CG 4.22Å; F77-P165 PolarHBondContact N-O 2.9Å; F77-I167 HydrophobicContact CB-CD1 4.47Å; F77-I167 HydrophobicContact CD2-CD1 3.81Å; F77-I167 HydrophobicContact CG-CD1 4.48Å; F77-V174 HydrophobicContact CD2-CG1 4.1Å; F77-V174 HydrophobicContact CE2-CB 4.27Å; F77-V174 HydrophobicContact CE2-CG1 3.9Å; F77-V174 HydrophobicContact CZ-CB 4.3Å; F77-V174 HydrophobicContact CZ-CG1 4.28Å
78H88.1Confident86.6Confident91 Ų9146 Ų4642%0.42124%0.237SC..Hα-helixtrans-64.3-36.1-179.5-68.4-59.9000113.3Y76 L81 M82Y76-H78 VanDerWaalsContact C-N 3.28Å; Y76-H78 PolarHBondContact O-N 2.78Å; H78-L81 PolarHBondContact O-N 3.45Å; H78-M82 WeakPolarHBondContact O-CG 3.47Å; H78-M82 PolarHBondContact O-N 2.94Å
79T89.3Confident86.7Confident56 Ų5643.2 Ų43.234%0.34422%0.223SC..Hα-helixtrans-64.6-45.7175.5-55.50000110.7Y76 F77 L81 M82 V83Y76-T79 WeakPolarHBondContact O-CB 3.27Å; Y76-T79 PolarHBondContact O-N 3.27Å; F77-T79 VanDerWaalsContact C-N 3.34Å; F77-T79 PolarHBondContact O-N 3.34Å; T79-L81 VanDerWaalsContact C-N 3.35Å; T79-L81 PolarHBondContact O-N 3.01Å; T79-M82 PolarHBondContact O-N 3.03Å; T79-V83 WeakPolarHBondContact O-CG2 3.3Å; T79-V83 PolarHBondContact O-N 3.38Å; T79-V83 VanDerWaalsContact O-N 3.12Å
80C89.1Confident86.3Confident1 Ų142.9 Ų42.91%0.00722%0.221CC..Hα-helixtrans-64.2-40.9176.8-172.40000112Y76 F77 M82 V83 A84 C169 V174Y76-C80 PolarHBondContact O-N 3.35Å; Y76-C80 VanDerWaalsContact O-N 3.08Å; F77-C80 PolarHBondContact O-N 2.92Å; C80-M82 PolarHBondContact O-N 3.28Å; C80-V83 PolarHBondContact O-N 3.2Å; C80-V83 VanDerWaalsContact O-N 3.14Å; C80-A84 WeakPolarHBondContact O-CB 3.37Å; C80-A84 PolarHBondContact O-N 3.01Å; C80-C169 WeakPolarHBondContact CA-SG 3.48Å; C80-C169 HydrophobicContact CB-CB 3.72Å; C80-C169 WeakPolarHBondContact CB-SG 3.31Å; C80-C169 WeakPolarHBondContact SG-CA 3.49Å; C80-C169 WeakPolarHBondContact SG-CB 3.44Å; C80-C169 CovalentContact SG-SG 2.04Å; C80-C169 PolarHBondContact SG-SG 3.26Å; C80-V174 HydrophobicContact CB-CG1 3.91Å
81L88.8Confident86.2Confident6 Ų643.3 Ų43.33%0.03123%0.226CC..Hα-helixtrans-59.8-45.2176.1-170.969.1000111.7F77 H78 T79 V83 A84 C85 P142 M143 N147 V174F77-L81 HydrophobicContact CE1-CB 4.47Å; F77-L81 HydrophobicContact CE1-CD2 4.14Å; F77-L81 WeakPolarHBondContact O-CB 3.27Å; F77-L81 PolarHBondContact O-N 3.05Å; H78-L81 PolarHBondContact O-N 3.45Å; T79-L81 VanDerWaalsContact C-N 3.35Å; T79-L81 PolarHBondContact O-N 3.01Å; L81-V83 VanDerWaalsContact C-N 3.26Å; L81-V83 PolarHBondContact O-N 3.11Å; L81-A84 PolarHBondContact O-N 3.15Å; L81-C85 PolarHBondContact O-N 3.26Å; L81-C85 PolarHBondContact O-SG 3.37Å; L81-P142 HydrophobicContact CD1-CB 3.81Å; L81-M143 HydrophobicContact CD2-CG 4.46Å; L81-N147 HydrophobicContact CD1-CB 4.12Å; L81-N147 HydrophobicContact CD2-CB 4.49Å; L81-V174 HydrophobicContact CD1-CB 4.15Å
82M88Confident86.3Confident107 Ų10742.3 Ų42.353%0.52722%0.22SC..Hα-helixtrans-63.8-29.9176.1-74.4-168.2-57.500113.2H78 T79 C80 P86 M143H78-M82 WeakPolarHBondContact O-CG 3.47Å; H78-M82 PolarHBondContact O-N 2.94Å; T79-M82 PolarHBondContact O-N 3.03Å; C80-M82 PolarHBondContact O-N 3.28Å; M82-P86 WeakPolarHBondContact O-CD 3.39Å; M82-P86 WeakPolarHBondContact O-CG 3.33Å; M82-M143 HydrophobicContact CG-CE 4.21Å
83V87.3Confident86Confident22 Ų2242.2 Ų42.213%0.13322%0.218CC..Hα-helixtrans-78.2-34.3175.9171.10000111.2L65 L68 I69 T79 C80 L81 P86L65-V83 HydrophobicContact CB-CG1 4.39Å; L65-V83 HydrophobicContact CD2-CG1 3.98Å; L65-V83 HydrophobicContact CD2-CG2 4.43Å; L68-V83 HydrophobicContact CD2-CG1 4.14Å; L68-V83 HydrophobicContact CD2-CG2 4.27Å; I69-V83 HydrophobicContact CD1-CG1 3.98Å; I69-V83 HydrophobicContact CG1-CG1 3.58Å; T79-V83 WeakPolarHBondContact O-CG2 3.3Å; T79-V83 PolarHBondContact O-N 3.38Å; T79-V83 VanDerWaalsContact O-N 3.12Å; C80-V83 PolarHBondContact O-N 3.2Å; C80-V83 VanDerWaalsContact O-N 3.14Å; L81-V83 VanDerWaalsContact C-N 3.26Å; L81-V83 PolarHBondContact O-N 3.11Å; V83-P86 WeakPolarHBondContact O-CD 3.49Å
84A86.9Confident85.5Confident1 Ų142.4 Ų42.41%0.00822%0.22CC..Hα-helixtrans-75-35.4179.500000113.6I69 C80 L81 V87 L88 F171 V174 I175I69-A84 HydrophobicContact CD1-CB 4.32Å; C80-A84 WeakPolarHBondContact O-CB 3.37Å; C80-A84 PolarHBondContact O-N 3.01Å; L81-A84 PolarHBondContact O-N 3.15Å; A84-V87 WeakPolarHBondContact O-CB 3.38Å; A84-V87 PolarHBondContact O-N 3.33Å; A84-V87 VanDerWaalsContact O-N 3.13Å; A84-L88 PolarHBondContact O-N 3.49Å; A84-F171 HydrophobicContact CB-CD2 4.47Å; A84-V174 HydrophobicContact CB-CG2 4.04Å; A84-I175 HydrophobicContact CB-CD1 4.05Å
85C87.9Confident85.4Confident2 Ų240.4 Ų40.41%0.01421%0.213CC..Hα-helixtrans-59.6-44.2-178.2-67.60000113.9L81 V87 L88 I89 M143L81-C85 PolarHBondContact O-N 3.26Å; L81-C85 PolarHBondContact O-SG 3.37Å; C85-V87 PolarHBondContact O-N 3.09Å; C85-L88 WeakPolarHBondContact O-CB 3.34Å; C85-L88 PolarHBondContact O-N 3.07Å; C85-L88 VanDerWaalsContact O-N 3.15Å; C85-I89 VanDerWaalsContact O-CG1 3.27Å; C85-I89 WeakPolarHBondContact O-CG1 3.27Å; C85-I89 PolarHBondContact O-N 2.93Å; C85-M143 HydrophobicContact CB-SD 4.48Å; C85-M143 WeakPolarHBondContact SG-CG 3.35Å
86P84.1Confident85.1Confident35 Ų3540 Ų4023%0.22721%0.21CC..Hα-helixtrans-55.5-36.8173.6-28.734.7000113.9L65 M82 V83 L90L65-P86 HydrophobicContact CD1-CB 3.69Å; L65-P86 HydrophobicContact CD1-CG 3.98Å; M82-P86 WeakPolarHBondContact O-CD 3.39Å; M82-P86 WeakPolarHBondContact O-CG 3.33Å; V83-P86 WeakPolarHBondContact O-CD 3.49Å; P86-L90 WeakPolarHBondContact O-CB 3.36Å; P86-L90 WeakPolarHBondContact O-CD1 3.45Å; P86-L90 WeakPolarHBondContact O-CG 3.37Å; P86-L90 PolarHBondContact O-N 3.29Å
87V81.9Confident84.3Confident24 Ų2435.3 Ų35.315%0.14520%0.196CC..Hα-helixtrans-63.6-48.8176.8-178.60000109.8I69 A84 C85 I89 L90 T91I69-V87 HydrophobicContact CD1-CG2 3.81Å; A84-V87 WeakPolarHBondContact O-CB 3.38Å; A84-V87 PolarHBondContact O-N 3.33Å; A84-V87 VanDerWaalsContact O-N 3.13Å; C85-V87 PolarHBondContact O-N 3.09Å; V87-I89 PolarHBondContact O-N 2.95Å; V87-L90 PolarHBondContact O-N 3.02Å; V87-T91 WeakPolarHBondContact O-CB 3.18Å; V87-T91 PolarHBondContact O-N 3.07Å; V87-T91 PolarHBondContact O-OG1 2.95Å
88L85.4Confident83.7Confident44 Ų4440.8 Ų40.823%0.2323%0.225CC..Hα-helixtrans-58.1-49.1175.9-74.2175.9000113.1A84 C85 L90 Q92 P142 F171 I175A84-L88 PolarHBondContact O-N 3.49Å; C85-L88 WeakPolarHBondContact O-CB 3.34Å; C85-L88 PolarHBondContact O-N 3.07Å; C85-L88 VanDerWaalsContact O-N 3.15Å; L88-L90 PolarHBondContact O-N 3.06Å; L88-Q92 WeakPolarHBondContact O-CB 3.33Å; L88-Q92 PolarHBondContact O-N 3.34Å; L88-P142 HydrophobicContact CD1-CG 3.72Å; L88-F171 HydrophobicContact CD2-CE2 3.81Å; L88-F171 HydrophobicContact CD2-CZ 3.57Å; L88-F171 HydrophobicContact CG-CE2 3.97Å; L88-F171 HydrophobicContact CG-CZ 4.2Å; L88-I175 HydrophobicContact CD1-CD1 3.63Å; L88-I175 HydrophobicContact CD1-CG1 4.28Å; L88-I175 HydrophobicContact CG-CD1 4.12Å
89I85.6Confident83.5Confident17 Ų1741.3 Ų41.39%0.08723%0.23CC..Hα-helixtrans-55.4-46.6179.2-65.7162.2000109.5C85 V87 Q92 S93 S135 L136 L140C85-I89 VanDerWaalsContact O-CG1 3.27Å; C85-I89 WeakPolarHBondContact O-CG1 3.27Å; C85-I89 PolarHBondContact O-N 2.93Å; V87-I89 PolarHBondContact O-N 2.95Å; I89-Q92 PolarHBondContact O-N 3.44Å; I89-S93 WeakPolarHBondContact O-CB 3.4Å; I89-S93 PolarHBondContact O-N 3.34Å; I89-S135 WeakPolarHBondContact O-CB 3.47Å; I89-L136 HydrophobicContact CD1-CD2 3.92Å; I89-L136 HydrophobicContact CG1-CD2 4.39Å; I89-L136 HydrophobicContact CG2-CD2 3.91Å; I89-L136 HydrophobicContact CG2-CG 4.36Å; I89-L140 HydrophobicContact CD1-CD2 4.04Å; I89-L140 HydrophobicContact CD1-CG 4.17Å
90L74.2Confident82.9Confident16 Ų1640 Ų408%0.08423%0.225CC..Hα-helixtrans-81.4-34.7-169.7-70.6159.1000112.1V58 V62 P86 V87 L88 Q92 S93 S94 W132V58-L90 HydrophobicContact CG2-CB 4.41Å; V58-L90 HydrophobicContact CG2-CD2 4.34Å; V62-L90 HydrophobicContact CG2-CB 3.38Å; V62-L90 HydrophobicContact CG2-CD1 3.07Å; V62-L90 HydrophobicContact CG2-CD2 4.48Å; V62-L90 HydrophobicContact CG2-CG 3.7Å; P86-L90 WeakPolarHBondContact O-CB 3.36Å; P86-L90 WeakPolarHBondContact O-CD1 3.45Å; P86-L90 WeakPolarHBondContact O-CG 3.37Å; P86-L90 PolarHBondContact O-N 3.29Å; V87-L90 PolarHBondContact O-N 3.02Å; L88-L90 PolarHBondContact O-N 3.06Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 3.09Å; L90-S93 PolarHBondContact O-N 3.34Å; L90-S94 PolarHBondContact O-N 2.92Å; L90-S94 PolarHBondContact O-OG 3.18Å; L90-W132 HydrophobicContact CD2-CH2 3.97Å; L90-W132 HydrophobicContact CD2-CZ3 3.99Å
91T81.2Confident82.3Confident76 Ų7642.9 Ų42.947%0.46624%0.24SC..Hα-helixtrans-59.1-45.3167.4-57.20000111.2V87 S93 S94 I95V87-T91 WeakPolarHBondContact O-CB 3.18Å; V87-T91 PolarHBondContact O-N 3.07Å; V87-T91 PolarHBondContact O-OG1 2.95Å; T91-S93 VanDerWaalsContact C-N 3.33Å; T91-S93 PolarHBondContact O-N 3.34Å; T91-S94 PolarHBondContact O-N 3.12Å; T91-I95 HydrophobicContact CG2-CD1 4.29Å; T91-I95 WeakPolarHBondContact O-CG1 3.39Å; T91-I95 PolarHBondContact O-N 3.23Å; T91-I95 VanDerWaalsContact O-N 3.13Å
92Q87Confident81.8Confident51 Ų5145.2 Ų45.224%0.23826%0.259CS..Hα-helixtrans-64-40177.4-174.357.885.400111.9L88 I89 L90 I95 L96 V138L88-Q92 WeakPolarHBondContact O-CB 3.33Å; L88-Q92 PolarHBondContact O-N 3.34Å; I89-Q92 PolarHBondContact O-N 3.44Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 3.09Å; Q92-I95 PolarHBondContact O-N 3.05Å; Q92-L96 HydrophobicContact CG-CD1 4.2Å; Q92-L96 WeakPolarHBondContact O-CG 3.22Å; Q92-L96 PolarHBondContact O-N 3.45Å; Q92-V138 HydrophobicContact CG-CB 4.22Å; Q92-V138 HydrophobicContact CG-CG1 4.24Å
93S79.2Confident81.5Confident6 Ų643.4 Ų43.44%0.04226%0.255CS..Hα-helixtrans-62-43.9176-178.80000111.8I89 L90 T91 I95 L96 A97 S135I89-S93 WeakPolarHBondContact O-CB 3.4Å; I89-S93 PolarHBondContact O-N 3.34Å; L90-S93 PolarHBondContact O-N 3.34Å; T91-S93 VanDerWaalsContact C-N 3.33Å; T91-S93 PolarHBondContact O-N 3.34Å; S93-I95 PolarHBondContact O-N 3.01Å; S93-L96 PolarHBondContact O-N 3.47Å; S93-A97 VanDerWaalsContact O-CB 3.23Å; S93-A97 WeakPolarHBondContact O-CB 3.49Å; S93-A97 PolarHBondContact O-N 3.49Å; S93-S135 WeakPolarHBondContact CA-OG 3.48Å; S93-S135 PolarHBondContact N-OG 3.39Å; S93-S135 VanDerWaalsContact N-OG 3.16Å
94S76.1Confident80.9Confident45 Ų4543.4 Ų43.432%0.31525%0.254SS..Hα-helixtrans-61.3-42.4176.2-64.40000112.2L90 T91 A97 L98L90-S94 PolarHBondContact O-N 2.92Å; L90-S94 PolarHBondContact O-OG 3.18Å; T91-S94 PolarHBondContact O-N 3.12Å; S94-A97 PolarHBondContact O-N 2.96Å; S94-L98 WeakPolarHBondContact O-CB 3.34Å; S94-L98 VanDerWaalsContact O-CG 3.29Å; S94-L98 WeakPolarHBondContact O-CG 3.32Å; S94-L98 PolarHBondContact O-N 3.4Å
95I84.9Confident80.6Confident95 Ų9552 Ų5249%0.48729%0.286SS..Hα-helixtrans-61.8-47.9176.7-65.6166000110.7T91 Q92 S93 A97 L98 L99T91-I95 HydrophobicContact CG2-CD1 4.29Å; T91-I95 WeakPolarHBondContact O-CG1 3.39Å; T91-I95 PolarHBondContact O-N 3.23Å; T91-I95 VanDerWaalsContact O-N 3.13Å; Q92-I95 PolarHBondContact O-N 3.05Å; S93-I95 PolarHBondContact O-N 3.01Å; I95-A97 VanDerWaalsContact C-N 3.35Å; I95-A97 PolarHBondContact O-N 2.94Å; I95-L98 PolarHBondContact O-N 2.87Å; I95-L99 WeakPolarHBondContact O-CB 2.91Å; I95-L99 PolarHBondContact O-N 2.89Å
96L82.3Confident80.4Confident23 Ų2358.7 Ų58.712%0.1231%0.312CS..Hα-helixtrans-67.6-35.4179.9-68.6173.8000112.2Q92 S93 L99 A100 C131 L134Q92-L96 HydrophobicContact CG-CD1 4.2Å; Q92-L96 WeakPolarHBondContact O-CG 3.22Å; Q92-L96 PolarHBondContact O-N 3.45Å; S93-L96 PolarHBondContact O-N 3.47Å; L96-L99 PolarHBondContact O-N 3.27Å; L96-A100 WeakPolarHBondContact O-CB 3.4Å; L96-A100 PolarHBondContact O-N 3.45Å; L96-C131 HydrophobicContact CB-CB 3.91Å; L96-C131 HydrophobicContact CD1-CB 4.3Å; L96-C131 WeakPolarHBondContact CD1-O 3.04Å; L96-L134 HydrophobicContact CD1-CB 4.05Å; L96-L134 HydrophobicContact CD1-CD2 3.81Å; L96-L134 HydrophobicContact CD1-CG 4.08Å; L96-L134 HydrophobicContact CD2-CD2 4.21Å
97A74.4Confident80.2Confident22 Ų2259.3 Ų59.318%0.18231%0.313CS..Hα-helixtrans-65-45.5174.700000111.5L51 S93 S94 I95 L99 A100 I101L51-A97 HydrophobicContact CD1-CB 4.08Å; S93-A97 VanDerWaalsContact O-CB 3.23Å; S93-A97 WeakPolarHBondContact O-CB 3.49Å; S93-A97 PolarHBondContact O-N 3.49Å; S94-A97 PolarHBondContact O-N 2.96Å; I95-A97 VanDerWaalsContact C-N 3.35Å; I95-A97 PolarHBondContact O-N 2.94Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 3.37Å; A97-A100 PolarHBondContact O-N 3.46Å; A97-I101 VanDerWaalsContact O-CG1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.43Å; A97-I101 PolarHBondContact O-N 3.46Å
98L75.8Confident80.1Confident116 Ų11663.4 Ų63.461%0.60733%0.326SS*.Hα-helixtrans-61.6-41.4175.1-72.2166.9000111.4S94 I95 I101 A102S94-L98 WeakPolarHBondContact O-CB 3.34Å; S94-L98 VanDerWaalsContact O-CG 3.29Å; S94-L98 WeakPolarHBondContact O-CG 3.32Å; S94-L98 PolarHBondContact O-N 3.4Å; I95-L98 PolarHBondContact O-N 2.87Å; L98-I101 PolarHBondContact O-N 3.46Å; L98-A102 WeakPolarHBondContact O-CB 3.29Å; L98-A102 PolarHBondContact O-N 2.82Å
99L84.6Confident80.2Confident103 Ų10367.3 Ų67.354%0.53935%0.351SS..Hα-helixtrans-61.7-45173.9-179.962.5000111.5I95 L96 A97 I101 A102 V103I95-L99 WeakPolarHBondContact O-CB 2.91Å; I95-L99 PolarHBondContact O-N 2.89Å; L96-L99 PolarHBondContact O-N 3.27Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 3.37Å; L99-I101 VanDerWaalsContact C-N 3.33Å; L99-I101 PolarHBondContact O-N 2.93Å; L99-A102 WeakPolarHBondContact O-CB 3.26Å; L99-A102 PolarHBondContact O-N 2.9Å; L99-V103 HydrophobicContact CD1-CG2 4.36Å; L99-V103 WeakPolarHBondContact O-CG2 3.47Å; L99-V103 PolarHBondContact O-N 3.33Å
100A75.7Confident80.4Confident28 Ų2873 Ų7323%0.23138%0.375CS..Hα-helixtrans-61.4-41.2177.500000111.9L96 A97 V103 D104L96-A100 WeakPolarHBondContact O-CB 3.4Å; L96-A100 PolarHBondContact O-N 3.45Å; A97-A100 PolarHBondContact O-N 3.46Å; A100-V103 PolarHBondContact O-N 3.45Å; A100-D104 PolarHBondContact O-N 3.04Å
101I76.5Confident81.1Confident62 Ų6274.7 Ų74.732%0.31838%0.384SS..Hα-helixtrans-63.7-43.1174.4-65.3162.4000110.9L51 A97 L98 L99 D104 R105L51-I101 HydrophobicContact CD1-CD1 4.02Å; L51-I101 HydrophobicContact CD2-CD1 3.65Å; L51-I101 HydrophobicContact CG-CD1 4.48Å; A97-I101 VanDerWaalsContact O-CG1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.43Å; A97-I101 PolarHBondContact O-N 3.46Å; L98-I101 PolarHBondContact O-N 3.46Å; L99-I101 VanDerWaalsContact C-N 3.33Å; L99-I101 PolarHBondContact O-N 2.93Å; I101-D104 PolarHBondContact O-N 3.01Å; I101-R105 WeakPolarHBondContact O-CG 3.44Å; I101-R105 PolarHBondContact O-N 3.23Å
102A78Confident81.1Confident54 Ų5475.4 Ų75.445%0.44639%0.39SS..Hα-helixtrans-62.4-43.2177.400000111.5L98 L99 R105 Y106L98-A102 WeakPolarHBondContact O-CB 3.29Å; L98-A102 PolarHBondContact O-N 2.82Å; L99-A102 WeakPolarHBondContact O-CB 3.26Å; L99-A102 PolarHBondContact O-N 2.9Å; A102-R105 PolarHBondContact O-N 3.36Å; A102-Y106 WeakPolarHBondContact O-CB 3.45Å; A102-Y106 PolarHBondContact O-N 2.89Å
103V81.6Confident81Confident70 Ų7081 Ų8142%0.42442%0.421SS..Hα-helixtrans-64.5-42.7175.61720000111.4L99 A100 R105 Y106 L107L99-V103 HydrophobicContact CD1-CG2 4.36Å; L99-V103 WeakPolarHBondContact O-CG2 3.47Å; L99-V103 PolarHBondContact O-N 3.33Å; A100-V103 PolarHBondContact O-N 3.45Å; V103-R105 PolarHBondContact O-N 3.25Å; V103-Y106 WeakPolarHBondContact O-CB 3.4Å; V103-Y106 PolarHBondContact O-N 2.89Å; V103-L107 HydrophobicContact CG1-CD1 4.02Å; V103-L107 HydrophobicContact CG1-CG 4.35Å; V103-L107 WeakPolarHBondContact O-CG 3.34Å; V103-L107 PolarHBondContact O-N 3.1Å
104D75.9Confident81.2Confident22 Ų2289.4 Ų89.412%0.11845%0.452CS..Hα-helixtrans-59.5-48175.8-179.672.3000111.7A100 I101 Y106 L107 R108 Y115A100-D104 PolarHBondContact O-N 3.04Å; I101-D104 PolarHBondContact O-N 3.01Å; D104-Y106 VanDerWaalsContact C-N 3.32Å; D104-Y106 PolarHBondContact O-N 3.14Å; D104-L107 PolarHBondContact O-N 2.87Å; D104-R108 PolarHBondContact O-N 3.47Å; D104-R108 IonicContact OD2-NH2 3.8Å; D104-Y115 VanDerWaalsContact CG-OH 3.25Å; D104-Y115 PolarHBondContact OD1-OH 3.04Å; D104-Y115 PolarHBondContact OD2-OH 3.29Å
105R80.8Confident81.2Confident182 Ų18288.3 Ų88.369%0.68744%0.441SS*.Hα-helixtrans-60.2-42.5176-76.1-176.4175.9-114.32.4111.7I101 A102 V103 R108 V109I101-R105 WeakPolarHBondContact O-CG 3.44Å; I101-R105 PolarHBondContact O-N 3.23Å; A102-R105 PolarHBondContact O-N 3.36Å; V103-R105 PolarHBondContact O-N 3.25Å; R105-R108 PolarHBondContact O-N 3.49Å; R105-V109 PolarHBondContact O-N 2.9Å
106Y83.4Confident80.6Confident141 Ų14191.1 Ų91.155%0.55345%0.449SS*.Hα-helixtrans-60.7-48.1176.5175.4-98.5000111.8A102 V103 D104 R108 V109 K110A102-Y106 WeakPolarHBondContact O-CB 3.45Å; A102-Y106 PolarHBondContact O-N 2.89Å; V103-Y106 WeakPolarHBondContact O-CB 3.4Å; V103-Y106 PolarHBondContact O-N 2.89Å; D104-Y106 VanDerWaalsContact C-N 3.32Å; D104-Y106 PolarHBondContact O-N 3.14Å; Y106-R108 VanDerWaalsContact C-N 3.32Å; Y106-R108 PolarHBondContact O-N 3.25Å; Y106-V109 PolarHBondContact O-N 3.13Å; Y106-K110 HydrophobicContact CE1-CB 4.15Å; Y106-K110 HydrophobicContact CE1-CG 4.19Å; Y106-K110 VanDerWaalsContact O-CB 3.28Å; Y106-K110 WeakPolarHBondContact O-CB 3.41Å; Y106-K110 PolarHBondContact O-N 2.93Å
107L80.6Confident80.3Confident48 Ų4895.2 Ų95.225%0.25148%0.475SS..Hα-helixtrans-62.7-38.4179.2-71.6172.7000112V103 D104 V109 K110 I111 Y115 V119V103-L107 HydrophobicContact CG1-CD1 4.02Å; V103-L107 HydrophobicContact CG1-CG 4.35Å; V103-L107 WeakPolarHBondContact O-CG 3.34Å; V103-L107 PolarHBondContact O-N 3.1Å; D104-L107 PolarHBondContact O-N 2.87Å; L107-V109 VanDerWaalsContact C-N 3.3Å; L107-V109 PolarHBondContact O-N 2.82Å; L107-K110 PolarHBondContact O-N 3.36Å; L107-I111 HydrophobicContact CB-CG1 4.49Å; L107-I111 HydrophobicContact CD2-CD1 4.12Å; L107-I111 HydrophobicContact CD2-CG1 4.42Å; L107-I111 WeakPolarHBondContact O-CG1 3.16Å; L107-I111 PolarHBondContact O-N 3.37Å; L107-Y115 HydrophobicContact CB-CD2 4.15Å; L107-Y115 HydrophobicContact CB-CE2 4.31Å; L107-V119 HydrophobicContact CD1-CG2 3.91Å
108R78.8Confident80.5Confident111 Ų11196.7 Ų96.742%0.41948%0.482SS..Hα-helixtrans-60.2-39.6177.2-168.6-179.8-65.8-141.4-3.6112.3T44 D104 R105 Y106 Y115T44-R108 PolarHBondContact OG1-NH2 3.33Å; D104-R108 PolarHBondContact O-N 3.47Å; D104-R108 IonicContact OD2-NH2 3.8Å; R105-R108 PolarHBondContact O-N 3.49Å; Y106-R108 VanDerWaalsContact C-N 3.32Å; Y106-R108 PolarHBondContact O-N 3.25Å; R108-Y115 HydrophobicContact CB-CD2 4.06Å; R108-Y115 HydrophobicContact CB-CE2 3.91Å; R108-Y115 PolarHBondContact NH2-OH 3.01Å; R108-Y115 VanDerWaalsContact NH2-OH 3.09Å
109V87.9Confident80.3Confident126 Ų12691.9 Ų91.976%0.76446%0.458SS*.Hα-helixtrans-78.4-39.9177.61770000111.6R105 Y106 L107R105-V109 PolarHBondContact O-N 2.9Å; Y106-V109 PolarHBondContact O-N 3.13Å; L107-V109 VanDerWaalsContact C-N 3.3Å; L107-V109 PolarHBondContact O-N 2.82Å
110K89.4Confident79.9Confident135 Ų13589.3 Ų89.359%0.58745%0.446SS*.Hα-helixtrans-74.4-36.7-173.6-174.561.8176.3-178.50113.4Y106 L107Y106-K110 HydrophobicContact CE1-CB 4.15Å; Y106-K110 HydrophobicContact CE1-CG 4.19Å; Y106-K110 VanDerWaalsContact O-CB 3.28Å; Y106-K110 WeakPolarHBondContact O-CB 3.41Å; Y106-K110 PolarHBondContact O-N 2.93Å; L107-K110 PolarHBondContact O-N 3.36Å
111I88.6Confident79.4Confident52 Ų5292.1 Ų92.127%0.26746%0.455SS..  trans-134.258.3-173.953.6165.1000112.7L107 L113 R114 Y115 V118L107-I111 HydrophobicContact CB-CG1 4.49Å; L107-I111 HydrophobicContact CD2-CD1 4.12Å; L107-I111 HydrophobicContact CD2-CG1 4.42Å; L107-I111 WeakPolarHBondContact O-CG1 3.16Å; L107-I111 PolarHBondContact O-N 3.37Å; I111-L113 VanDerWaalsContact C-N 3.31Å; I111-L113 PolarHBondContact O-N 3.3Å; I111-L113 VanDerWaalsContact O-N 3.16Å; I111-R114 PolarHBondContact O-N 3.43Å; I111-R114 VanDerWaalsContact O-N 3.09Å; I111-Y115 WeakPolarHBondContact O-CB 3.46Å; I111-Y115 PolarHBondContact O-N 3.3Å; I111-V118 HydrophobicContact CD1-CB 4.05Å; I111-V118 HydrophobicContact CD1-CG1 4.04Å; I111-V118 HydrophobicContact CD1-CG2 3.94Å
112P81.9Confident79Confident92 Ų9299.3 Ų99.360%0.59748%0.478SS*.THydrogen-bonded Turntrans-57.3-39-170.622.9-34.3000113.8
113L84.9Confident79Confident169 Ų169104.1 Ų104.189%0.88548%0.484SS*.THydrogen-bonded Turntrans-74.2-28.3-178.4-62.8174.9000113.7I111I111-L113 VanDerWaalsContact C-N 3.31Å; I111-L113 PolarHBondContact O-N 3.3Å; I111-L113 VanDerWaalsContact O-N 3.16Å
114R83.7Confident78.4Confident182 Ų182100.9 Ų100.969%0.68747%0.465SS*.THydrogen-bonded Turntrans-103.8-8.9-177.6-64.6-177.1-179.5-1790.4112.9I111 K116 T117 V118I111-R114 PolarHBondContact O-N 3.43Å; I111-R114 VanDerWaalsContact O-N 3.09Å; R114-K116 VanDerWaalsContact C-N 3.34Å; R114-K116 PolarHBondContact O-N 3.29Å; R114-T117 PolarHBondContact O-N 3.16Å; R114-V118 HydrophobicContact CB-CG2 4.21Å; R114-V118 WeakPolarHBondContact O-CG2 3.45Å; R114-V118 PolarHBondContact O-N 2.91Å
115Y76.6Confident78.2Confident22 Ų22102.3 Ų102.39%0.08648%0.48CS..Hα-helixtrans-53-47.7-175.1174.6-98.6000112.4D104 L107 R108 I111 T117 V118 V119D104-Y115 VanDerWaalsContact CG-OH 3.25Å; D104-Y115 PolarHBondContact OD1-OH 3.04Å; D104-Y115 PolarHBondContact OD2-OH 3.29Å; L107-Y115 HydrophobicContact CB-CD2 4.15Å; L107-Y115 HydrophobicContact CB-CE2 4.31Å; R108-Y115 HydrophobicContact CB-CD2 4.06Å; R108-Y115 HydrophobicContact CB-CE2 3.91Å; R108-Y115 PolarHBondContact NH2-OH 3.01Å; R108-Y115 VanDerWaalsContact NH2-OH 3.09Å; I111-Y115 WeakPolarHBondContact O-CB 3.46Å; I111-Y115 PolarHBondContact O-N 3.3Å; Y115-T117 PolarHBondContact O-N 3.38Å; Y115-V118 PolarHBondContact O-N 3.38Å; Y115-V118 VanDerWaalsContact O-N 3.17Å; Y115-V119 HydrophobicContact CD2-CB 4.3Å; Y115-V119 HydrophobicContact CD2-CG2 3.86Å; Y115-V119 HydrophobicContact CE2-CB 3.98Å; Y115-V119 HydrophobicContact CE2-CG1 4.36Å; Y115-V119 HydrophobicContact CE2-CG2 3.68Å; Y115-V119 PolarHBondContact O-N 2.87Å
116K70.4Confident78.1Confident153 Ų15398.3 Ų98.367%0.66548%0.476SS*.Hα-helixtrans-62.1-26.9179-69.4-158.2175.9-155.60113.9D42 R114D42-K116 IonicContact OD2-NZ 3.69Å; R114-K116 VanDerWaalsContact C-N 3.34Å; R114-K116 PolarHBondContact O-N 3.29Å
117T77.3Confident77.8Confident109 Ų10994 Ų9467%0.66947%0.469SS*.Hα-helixtrans-87.7-31.8177.9-35.80000111.8R114 Y115R114-T117 PolarHBondContact O-N 3.16Å; Y115-T117 PolarHBondContact O-N 3.38Å
118V77.1Confident77.6Confident54 Ų5493.1 Ų93.133%0.32746%0.464SS..Hα-helixtrans-82-46.1-177.2173.10000111.7I111 R114 Y115 R123I111-V118 HydrophobicContact CD1-CB 4.05Å; I111-V118 HydrophobicContact CD1-CG1 4.04Å; I111-V118 HydrophobicContact CD1-CG2 3.94Å; R114-V118 HydrophobicContact CB-CG2 4.21Å; R114-V118 WeakPolarHBondContact O-CG2 3.45Å; R114-V118 PolarHBondContact O-N 2.91Å; Y115-V118 PolarHBondContact O-N 3.38Å; Y115-V118 VanDerWaalsContact O-N 3.17Å; V118-R123 WeakPolarHBondContact O-CD 3.48Å; V118-R123 PolarHBondContact O-NH1 3.47Å
119V73.3Confident77.6Confident15 Ų1590 Ų909%0.09146%0.462CS..SBendtrans-100.692.7-178.3-176.40000109F47 L107 Y115F47-V119 HydrophobicContact CE2-CG1 3.92Å; F47-V119 HydrophobicContact CZ-CG1 4.49Å; L107-V119 HydrophobicContact CD1-CG2 3.91Å; Y115-V119 HydrophobicContact CD2-CB 4.3Å; Y115-V119 HydrophobicContact CD2-CG2 3.86Å; Y115-V119 HydrophobicContact CE2-CB 3.98Å; Y115-V119 HydrophobicContact CE2-CG1 4.36Å; Y115-V119 HydrophobicContact CE2-CG2 3.68Å; Y115-V119 PolarHBondContact O-N 2.87Å
120T75.2Confident77.5Confident49 Ų4985.8 Ų85.830%0.30144%0.444SS..  trans-100.7156.6177.6640000111.2R122 R123 A124T120-R122 PolarHBondContact O-N 3.45Å; T120-R123 PolarHBondContact O-N 3.04Å; T120-R123 VanDerWaalsContact O-N 3.08Å; T120-R123 WeakPolarHBondContact OG1-CG 3.26Å; T120-R123 PolarHBondContact OG1-N 3.32Å; T120-A124 WeakPolarHBondContact O-CB 3.42Å; T120-A124 PolarHBondContact O-N 3.31Å
121Q64.6Low77.2Confident87 Ų8780.6 Ų80.641%0.40742%0.424SS..Hα-helixtrans-51.6-40.3176.4-78177.2-6.600113R41 A43 A124 A125R41-Q121 PolarHBondContact O-NE2 3.49Å; A43-Q121 VanDerWaalsContact CA-CG 3.46Å; A43-Q121 HydrophobicContact CB-CG 3.74Å; Q121-A124 WeakPolarHBondContact O-CB 3.4Å; Q121-A124 PolarHBondContact O-N 3Å; Q121-A125 WeakPolarHBondContact O-CB 3.41Å; Q121-A125 PolarHBondContact O-N 3.42Å
122R69.8Low77Confident212 Ų21281.6 Ų81.680%0.843%0.425SS*.Hα-helixtrans-68-41.8179.9-167175.6-178.9-174.80.4111.9T120 A125 V126T120-R122 PolarHBondContact O-N 3.45Å; R122-A125 PolarHBondContact O-N 3.28Å; R122-V126 VanDerWaalsContact O-CG2 3.28Å; R122-V126 WeakPolarHBondContact O-CG2 3.43Å; R122-V126 PolarHBondContact O-N 2.91Å
123R76.9Confident77.3Confident155 Ų15582.2 Ų82.259%0.58542%0.422SS*.Hα-helixtrans-68.4-37.8177.2-71.7178.1175.9-176.3-3111.7V118 T120 V126 A127V118-R123 WeakPolarHBondContact O-CD 3.48Å; V118-R123 PolarHBondContact O-NH1 3.47Å; T120-R123 PolarHBondContact O-N 3.04Å; T120-R123 VanDerWaalsContact O-N 3.08Å; T120-R123 WeakPolarHBondContact OG1-CG 3.26Å; T120-R123 PolarHBondContact OG1-N 3.32Å; R123-V126 PolarHBondContact O-N 3.43Å; R123-A127 WeakPolarHBondContact O-CB 3.35Å; R123-A127 PolarHBondContact O-N 3.25Å
124A70.2Confident77.6Confident2 Ų278.3 Ų78.32%0.01740%0.402CS..Hα-helixtrans-56.9-52.3172.300000112.1F47 T120 Q121 V126 A127 I128F47-A124 HydrophobicContact CD1-CB 4.11Å; F47-A124 HydrophobicContact CD2-CB 3.66Å; F47-A124 HydrophobicContact CE1-CB 3.58Å; F47-A124 HydrophobicContact CE2-CB 3.1Å; F47-A124 HydrophobicContact CG-CB 4.16Å; F47-A124 HydrophobicContact CZ-CB 3.07Å; T120-A124 WeakPolarHBondContact O-CB 3.42Å; T120-A124 PolarHBondContact O-N 3.31Å; Q121-A124 WeakPolarHBondContact O-CB 3.4Å; Q121-A124 PolarHBondContact O-N 3Å; A124-V126 VanDerWaalsContact C-N 3.31Å; A124-V126 PolarHBondContact O-N 2.97Å; A124-A127 PolarHBondContact O-N 3.08Å; A124-I128 WeakPolarHBondContact O-CD1 3.47Å; A124-I128 WeakPolarHBondContact O-CG1 3.09Å; A124-I128 PolarHBondContact O-N 3.05Å
125A70.1Confident77.8Confident53 Ų5369.6 Ų69.644%0.43837%0.369SS..Hα-helixtrans-60.5-39.8177.600000112.2Q121 R122 A129Q121-A125 WeakPolarHBondContact O-CB 3.41Å; Q121-A125 PolarHBondContact O-N 3.42Å; R122-A125 PolarHBondContact O-N 3.28Å; A125-A129 WeakPolarHBondContact O-CB 3.34Å; A125-A129 PolarHBondContact O-N 3.5Å
126V79.1Confident78.4Confident98 Ų9872.2 Ų72.259%0.59438%0.384SS*.Hα-helixtrans-65.4-42.2175.21710000111.7R122 R123 A124 A129 G130R122-V126 VanDerWaalsContact O-CG2 3.28Å; R122-V126 WeakPolarHBondContact O-CG2 3.43Å; R122-V126 PolarHBondContact O-N 2.91Å; R123-V126 PolarHBondContact O-N 3.43Å; A124-V126 VanDerWaalsContact C-N 3.31Å; A124-V126 PolarHBondContact O-N 2.97Å; V126-A129 PolarHBondContact O-N 2.97Å; V126-G130 PolarHBondContact O-N 3.26Å
127A77.6Confident79.5Confident50 Ų5069.1 Ų69.141%0.41338%0.378SS..Hα-helixtrans-63.6-43.6177.900000111.7R123 A124 G130 C131R123-A127 WeakPolarHBondContact O-CB 3.35Å; R123-A127 PolarHBondContact O-N 3.25Å; A124-A127 PolarHBondContact O-N 3.08Å; A127-G130 PolarHBondContact O-N 3.4Å; A127-C131 PolarHBondContact O-N 3.3Å; A127-C131 PolarHBondContact O-SG 2.9Å
128I76.1Confident80.1Confident29 Ų2966.8 Ų66.815%0.14936%0.363CS..Hα-helixtrans-58.6-51.8172.8-75.5159000110.8F47 S50 A124 G130 C131 W132F47-I128 HydrophobicContact CD1-CD1 3.54Å; F47-I128 HydrophobicContact CD1-CG1 4.01Å; F47-I128 HydrophobicContact CE1-CD1 4.02Å; F47-I128 HydrophobicContact CE1-CG1 4.18Å; F47-I128 HydrophobicContact CG-CD1 4.37Å; S50-I128 WeakPolarHBondContact OG-CG2 3.49Å; A124-I128 WeakPolarHBondContact O-CD1 3.47Å; A124-I128 WeakPolarHBondContact O-CG1 3.09Å; A124-I128 PolarHBondContact O-N 3.05Å; I128-G130 PolarHBondContact O-N 3.26Å; I128-C131 WeakPolarHBondContact O-CB 3.43Å; I128-C131 PolarHBondContact O-N 3.2Å; I128-W132 VanDerWaalsContact O-CD1 3.3Å; I128-W132 PolarHBondContact O-N 2.91Å
129A79.5Confident80.7Confident46 Ų4664.2 Ų64.238%0.3835%0.348SS..Hα-helixtrans-58.7-40.1179.400000110.9A125 V126 W132 I133A125-A129 WeakPolarHBondContact O-CB 3.34Å; A125-A129 PolarHBondContact O-N 3.5Å; V126-A129 PolarHBondContact O-N 2.97Å; A129-W132 PolarHBondContact O-N 3.12Å; A129-I133 WeakPolarHBondContact O-CB 3.02Å; A129-I133 WeakPolarHBondContact O-CD1 3.33Å; A129-I133 VanDerWaalsContact O-CG1 3.22Å; A129-I133 WeakPolarHBondContact O-CG1 3.46Å; A129-I133 PolarHBondContact O-N 3.27Å
130G85.5Confident81.5Confident37 Ų3766.1 Ų66.138%0.38136%0.357SS..Hα-helixtrans-60.4-42.8172.500000113V126 A127 I128 I133 L134V126-G130 PolarHBondContact O-N 3.26Å; A127-G130 PolarHBondContact O-N 3.4Å; I128-G130 PolarHBondContact O-N 3.26Å; G130-I133 PolarHBondContact O-N 2.93Å; G130-L134 VanDerWaalsContact O-CB 3.27Å; G130-L134 WeakPolarHBondContact O-CB 3.15Å; G130-L134 PolarHBondContact O-N 3.15Å
131C83.3Confident82.3Confident26 Ų2666 Ų6618%0.17636%0.356CS..Hα-helixtrans-62.6-43.2176.3-64.60000111.6L96 A127 I128 L134 S135L96-C131 HydrophobicContact CB-CB 3.91Å; L96-C131 HydrophobicContact CD1-CB 4.3Å; L96-C131 WeakPolarHBondContact CD1-O 3.04Å; A127-C131 PolarHBondContact O-N 3.3Å; A127-C131 PolarHBondContact O-SG 2.9Å; I128-C131 WeakPolarHBondContact O-CB 3.43Å; I128-C131 PolarHBondContact O-N 3.2Å; C131-L134 PolarHBondContact O-N 3.03Å; C131-S135 WeakPolarHBondContact O-CB 3.2Å; C131-S135 PolarHBondContact O-N 2.76Å; C131-S135 PolarHBondContact O-OG 3.41Å
132W83.6Confident83.4Confident73 Ų7362.2 Ų62.228%0.27734%0.339SS..Hα-helixtrans-63.7-47.5175.8-83.499.6000112.3A54 L90 I128 A129 L134 S135 L136A54-W132 HydrophobicContact CB-CH2 4.4Å; A54-W132 HydrophobicContact CB-CZ2 3.67Å; L90-W132 HydrophobicContact CD2-CH2 3.97Å; L90-W132 HydrophobicContact CD2-CZ3 3.99Å; I128-W132 VanDerWaalsContact O-CD1 3.3Å; I128-W132 PolarHBondContact O-N 2.91Å; A129-W132 PolarHBondContact O-N 3.12Å; W132-L134 VanDerWaalsContact C-N 3.34Å; W132-L134 PolarHBondContact O-N 3.35Å; W132-S135 PolarHBondContact O-N 2.04Å; W132-L136 WeakPolarHBondContact O-CG 3.23Å; W132-L136 PolarHBondContact O-N 3.08Å
133I88.7Confident84.3Confident106 Ų10656.6 Ų56.654%0.54432%0.323SS..Hα-helixtrans-60.5-46.5178.1-68.8165.1000110A129 G130 S135 L136 V137A129-I133 WeakPolarHBondContact O-CB 3.02Å; A129-I133 WeakPolarHBondContact O-CD1 3.33Å; A129-I133 VanDerWaalsContact O-CG1 3.22Å; A129-I133 WeakPolarHBondContact O-CG1 3.46Å; A129-I133 PolarHBondContact O-N 3.27Å; G130-I133 PolarHBondContact O-N 2.93Å; I133-S135 VanDerWaalsContact C-N 3.3Å; I133-S135 PolarHBondContact O-N 2.97Å; I133-L136 PolarHBondContact O-N 2.93Å; I133-V137 HydrophobicContact CG2-CG2 4.41Å; I133-V137 VanDerWaalsContact O-CG2 3.31Å; I133-V137 WeakPolarHBondContact O-CG2 3.32Å; I133-V137 PolarHBondContact O-N 3.38Å
134L90.8Very high84.9Confident86 Ų8657.4 Ų57.445%0.4533%0.331SS..Hα-helixtrans-62.2-40.8178.8-173.961.1000111.5L96 G130 C131 W132 V137 V138L96-L134 HydrophobicContact CD1-CB 4.05Å; L96-L134 HydrophobicContact CD1-CD2 3.81Å; L96-L134 HydrophobicContact CD1-CG 4.08Å; L96-L134 HydrophobicContact CD2-CD2 4.21Å; G130-L134 VanDerWaalsContact O-CB 3.27Å; G130-L134 WeakPolarHBondContact O-CB 3.15Å; G130-L134 PolarHBondContact O-N 3.15Å; C131-L134 PolarHBondContact O-N 3.03Å; W132-L134 VanDerWaalsContact C-N 3.34Å; W132-L134 PolarHBondContact O-N 3.35Å; L134-V137 PolarHBondContact O-N 3.05Å; L134-V138 HydrophobicContact CD1-CG2 4.44Å; L134-V138 WeakPolarHBondContact O-CB 3.4Å; L134-V138 VanDerWaalsContact O-CG2 3.3Å; L134-V138 WeakPolarHBondContact O-CG2 3.39Å; L134-V138 PolarHBondContact O-N 3.34Å
135S88.3Confident85.7Confident0 Ų059.9 Ų59.90%036%0.357CS..Hα-helixtrans-64.3-40.1176.2-56.70000112.5I89 S93 C131 W132 I133 G139I89-S135 WeakPolarHBondContact O-CB 3.47Å; S93-S135 WeakPolarHBondContact CA-OG 3.48Å; S93-S135 PolarHBondContact N-OG 3.39Å; S93-S135 VanDerWaalsContact N-OG 3.16Å; C131-S135 WeakPolarHBondContact O-CB 3.2Å; C131-S135 PolarHBondContact O-N 2.76Å; C131-S135 PolarHBondContact O-OG 3.41Å; W132-S135 PolarHBondContact O-N 2.04Å; I133-S135 VanDerWaalsContact C-N 3.3Å; I133-S135 PolarHBondContact O-N 2.97Å; S135-G139 PolarHBondContact O-N 3.02Å
136L89.3Confident86.6Confident76 Ų7664.7 Ų64.740%0.39836%0.364SS..Hα-helixtrans-64.5-45.5174.4-74.5169.6000111.2I89 W132 I133 L140I89-L136 HydrophobicContact CD1-CD2 3.92Å; I89-L136 HydrophobicContact CG1-CD2 4.39Å; I89-L136 HydrophobicContact CG2-CD2 3.91Å; I89-L136 HydrophobicContact CG2-CG 4.36Å; W132-L136 WeakPolarHBondContact O-CG 3.23Å; W132-L136 PolarHBondContact O-N 3.08Å; I133-L136 PolarHBondContact O-N 2.93Å; L136-L140 WeakPolarHBondContact O-CB 3.37Å; L136-L140 WeakPolarHBondContact O-CG 2.98Å; L136-L140 PolarHBondContact O-N 3.42Å
137V92.6Very high87.2Confident88 Ų8861.1 Ų61.153%0.53334%0.341SS..Hα-helixtrans-58.4-52.6177.5170.10000109.9I133 L134 T141I133-V137 HydrophobicContact CG2-CG2 4.41Å; I133-V137 VanDerWaalsContact O-CG2 3.31Å; I133-V137 WeakPolarHBondContact O-CG2 3.32Å; I133-V137 PolarHBondContact O-N 3.38Å; L134-V137 PolarHBondContact O-N 3.05Å; V137-T141 PolarHBondContact O-N 3.43Å; V137-T141 PolarHBondContact O-OG1 3.4Å
138V90.8Very high87.7Confident61 Ų6159.7 Ų59.737%0.3733%0.327SS..Hα-helixtrans-62.9-48.8-179.1173.20000111.2Q92 L134 L140 T141Q92-V138 HydrophobicContact CG-CB 4.22Å; Q92-V138 HydrophobicContact CG-CG1 4.24Å; L134-V138 HydrophobicContact CD1-CG2 4.44Å; L134-V138 WeakPolarHBondContact O-CB 3.4Å; L134-V138 VanDerWaalsContact O-CG2 3.3Å; L134-V138 WeakPolarHBondContact O-CG2 3.39Å; L134-V138 PolarHBondContact O-N 3.34Å; V138-L140 PolarHBondContact O-N 3.19Å; V138-T141 WeakPolarHBondContact CA-OG1 3.4Å; V138-T141 VanDerWaalsContact O-CB 3.28Å; V138-T141 WeakPolarHBondContact O-CB 3.14Å; V138-T141 PolarHBondContact O-N 2.9Å; V138-T141 PolarHBondContact O-OG1 2.76Å
139G88.7Confident88.4Confident0 Ų060.2 Ų60.20%033%0.329CS..Hα-helixtrans-76-18.9-175.100000115.2S135 P142S135-G139 PolarHBondContact O-N 3.02Å; G139-P142 WeakPolarHBondContact O-CD 3.29Å
140L91Very high88.8Confident54 Ų5461.3 Ų61.328%0.28334%0.335SS..Hα-helixtrans-90.4-8171.8-65.6174.6000113.2I89 L136 V138 P142 M143 F144I89-L140 HydrophobicContact CD1-CD2 4.04Å; I89-L140 HydrophobicContact CD1-CG 4.17Å; L136-L140 WeakPolarHBondContact O-CB 3.37Å; L136-L140 WeakPolarHBondContact O-CG 2.98Å; L136-L140 PolarHBondContact O-N 3.42Å; V138-L140 PolarHBondContact O-N 3.19Å; L140-P142 VanDerWaalsContact C-N 3.26Å; L140-M143 HydrophobicContact CD2-CG 4.46Å; L140-M143 HydrophobicContact CD2-SD 3.69Å; L140-M143 WeakPolarHBondContact O-CA 3.3Å; L140-M143 WeakPolarHBondContact O-CB 3.43Å; L140-M143 PolarHBondContact O-N 2.72Å; L140-F144 HydrophobicContact CB-CD2 4.38Å; L140-F144 HydrophobicContact CB-CE2 3.94Å; L140-F144 VanDerWaalsContact O-CD2 3.25Å; L140-F144 WeakPolarHBondContact O-CD2 3.26Å; L140-F144 PolarHBondContact O-N 3.4Å
141T91.3Very high89Confident46 Ų4664.9 Ų64.928%0.28234%0.341SS..G310 helixtrans-48.3-42.2176.9-45.40000113.2V137 V138 M143 F144 W146V137-T141 PolarHBondContact O-N 3.43Å; V137-T141 PolarHBondContact O-OG1 3.4Å; V138-T141 WeakPolarHBondContact CA-OG1 3.4Å; V138-T141 VanDerWaalsContact O-CB 3.28Å; V138-T141 WeakPolarHBondContact O-CB 3.14Å; V138-T141 PolarHBondContact O-N 2.9Å; V138-T141 PolarHBondContact O-OG1 2.76Å; T141-M143 VanDerWaalsContact C-N 3.27Å; T141-M143 PolarHBondContact O-N 3.28Å; T141-F144 PolarHBondContact O-N 2.91Å; T141-W146 HydrophobicContact CG2-CB 4.17Å; T141-W146 HydrophobicContact CG2-CD2 4.41Å; T141-W146 HydrophobicContact CG2-CE3 3.54Å; T141-W146 HydrophobicContact CG2-CZ3 4.3Å
142P89.4Confident89.2Confident9 Ų964.8 Ų64.86%0.05834%0.34CS..G310 helixtrans-63.2-30176.6-23.836.2000113.9L81 L88 G139 L140 F144 G145 W146 N147 I175L81-P142 HydrophobicContact CD1-CB 3.81Å; L88-P142 HydrophobicContact CD1-CG 3.72Å; G139-P142 WeakPolarHBondContact O-CD 3.29Å; L140-P142 VanDerWaalsContact C-N 3.26Å; P142-F144 VanDerWaalsContact C-N 3.29Å; P142-F144 PolarHBondContact O-N 3.17Å; P142-G145 PolarHBondContact O-N 3.48Å; P142-W146 WeakPolarHBondContact CA-O 3.27Å; P142-N147 PolarHBondContact O-ND2 3.3Å; P142-I175 HydrophobicContact CB-CG1 4.45Å; P142-I175 HydrophobicContact CG-CG1 4.3Å
143M88.6Confident89.5Confident93 Ų9365.8 Ų65.846%0.45835%0.348SS..G310 helixtrans-71.1-24.7175-62.8-168.568.100112.9L81 M82 C85 L140 T141 G145L81-M143 HydrophobicContact CD2-CG 4.46Å; M82-M143 HydrophobicContact CG-CE 4.21Å; C85-M143 HydrophobicContact CB-SD 4.48Å; C85-M143 WeakPolarHBondContact SG-CG 3.35Å; L140-M143 HydrophobicContact CD2-CG 4.46Å; L140-M143 HydrophobicContact CD2-SD 3.69Å; L140-M143 WeakPolarHBondContact O-CA 3.3Å; L140-M143 WeakPolarHBondContact O-CB 3.43Å; L140-M143 PolarHBondContact O-N 2.72Å; T141-M143 VanDerWaalsContact C-N 3.27Å; T141-M143 PolarHBondContact O-N 3.28Å; M143-G145 PolarHBondContact O-N 3.34Å
144F89.3Confident89.6Confident173 Ų17367.5 Ų67.576%0.75935%0.353SS*.G310 helixtrans-81.41.4177.7-70.5-69000113.9L140 T141 P142L140-F144 HydrophobicContact CB-CD2 4.38Å; L140-F144 HydrophobicContact CB-CE2 3.94Å; L140-F144 VanDerWaalsContact O-CD2 3.25Å; L140-F144 WeakPolarHBondContact O-CD2 3.26Å; L140-F144 PolarHBondContact O-N 3.4Å; T141-F144 PolarHBondContact O-N 2.91Å; P142-F144 VanDerWaalsContact C-N 3.29Å; P142-F144 PolarHBondContact O-N 3.17Å
145G86.3Confident89.5Confident53 Ų5366 Ų6655%0.54635%0.353SS..THydrogen-bonded Turntrans119.8-2173.700000114.9P142 M143 N147P142-G145 PolarHBondContact O-N 3.48Å; M143-G145 PolarHBondContact O-N 3.34Å; G145-N147 PolarHBondContact O-N 2.93Å
146W89Confident89.6Confident154 Ų15469 Ų6958%0.58337%0.365SS*.  trans-85.666.9173.1-161-8000111T141 P142T141-W146 HydrophobicContact CG2-CB 4.17Å; T141-W146 HydrophobicContact CG2-CD2 4.41Å; T141-W146 HydrophobicContact CG2-CE3 3.54Å; T141-W146 HydrophobicContact CG2-CZ3 4.3Å; P142-W146 WeakPolarHBondContact CA-O 3.27Å
147N90.9Very high89.6Confident24 Ų2470.5 Ų70.513%0.12837%0.372CS..BIsolated β-bridgetrans-144.2165.7-176.764.955.4000110.5F77 L81 P142 G145 L149 V174F77-N147 HydrophobicContact CE1-CB 4.31Å; F77-N147 HydrophobicContact CZ-CB 4.03Å; L81-N147 HydrophobicContact CD1-CB 4.12Å; L81-N147 HydrophobicContact CD2-CB 4.49Å; P142-N147 PolarHBondContact O-ND2 3.3Å; G145-N147 PolarHBondContact O-N 2.93Å; N147-L149 PolarHBondContact O-N 3.05Å; N147-L149 WeakPolarHBondContact OD1-CB 3.49Å; N147-L149 PolarHBondContact OD1-N 2.82Å; N147-V174 WeakPolarHBondContact CA-O 3.31Å; N147-V174 VanDerWaalsContact CB-O 3.31Å; N147-V174 WeakPolarHBondContact CB-O 3.49Å
148N89.6Confident89.5Confident19 Ų1970.4 Ų70.410%0.10238%0.38CS..THydrogen-bonded Turntrans-86.323.2-175.7-57.5-19.3000113S150 E151 V152 E172 V174 I175 S176N148-S150 VanDerWaalsContact C-N 3.33Å; N148-S150 PolarHBondContact O-N 3.24Å; N148-E151 PolarHBondContact O-N 2.94Å; N148-V152 WeakPolarHBondContact O-CB 3.37Å; N148-V152 VanDerWaalsContact O-CG2 3.3Å; N148-V152 WeakPolarHBondContact O-CG2 3.42Å; N148-V152 PolarHBondContact O-N 3.35Å; N148-E172 PolarHBondContact ND2-O 3.49Å; N148-V174 PolarHBondContact N-O 2.95Å; N148-I175 PolarHBondContact ND2-O 2.92Å; N148-I175 VanDerWaalsContact ND2-O 3.09Å; N148-S176 WeakPolarHBondContact OD1-CA 3.41Å; N148-S176 WeakPolarHBondContact OD1-CB 3.37Å; N148-S176 PolarHBondContact OD1-N 2.89Å
149L89.4Confident89.5Confident40 Ų4073.9 Ų73.921%0.20940%0.397CS..Hα-helixtrans-59.6-44.1-175.7178.162.4000111.7F77 N147 E151 V152 E153 P165F77-L149 HydrophobicContact CB-CD1 4.17Å; F77-L149 HydrophobicContact CD1-CB 4.13Å; F77-L149 HydrophobicContact CD1-CD1 3.55Å; F77-L149 HydrophobicContact CD1-CG 4.32Å; F77-L149 HydrophobicContact CD2-CD1 4.24Å; F77-L149 HydrophobicContact CE1-CB 3.59Å; F77-L149 HydrophobicContact CE1-CD1 3.95Å; F77-L149 HydrophobicContact CE1-CG 4.25Å; F77-L149 HydrophobicContact CE2-CB 4.32Å; F77-L149 HydrophobicContact CG-CD1 3.72Å; F77-L149 HydrophobicContact CZ-CB 3.71Å; F77-L149 HydrophobicContact CZ-CD1 4.46Å; F77-L149 VanDerWaalsContact CZ-N 3.34Å; N147-L149 PolarHBondContact O-N 3.05Å; N147-L149 WeakPolarHBondContact OD1-CB 3.49Å; N147-L149 PolarHBondContact OD1-N 2.82Å; L149-E151 PolarHBondContact O-N 3.35Å; L149-V152 PolarHBondContact O-N 3.24Å; L149-E153 WeakPolarHBondContact O-CB 3.44Å; L149-E153 PolarHBondContact O-N 3.32Å; L149-P165 HydrophobicContact CD1-CG 4.38Å
150S88.4Confident89.5Confident70 Ų7077 Ų7749%0.4943%0.429SS..Hα-helixtrans-60.6-43.3-179.349.10000112.2N148 Q154N148-S150 VanDerWaalsContact C-N 3.33Å; N148-S150 PolarHBondContact O-N 3.24Å; S150-Q154 WeakPolarHBondContact O-CB 3.46Å; S150-Q154 VanDerWaalsContact O-CG 3.27Å; S150-Q154 WeakPolarHBondContact O-CG 3.14Å; S150-Q154 PolarHBondContact O-N 3.39Å
151E89.4Confident89.4Confident111 Ų11176.4 Ų76.452%0.51943%0.429SS..Hα-helixtrans-67-44.6177.8-62.6-179.9178.200111.6N148 L149 Q154 A155N148-E151 PolarHBondContact O-N 2.94Å; L149-E151 PolarHBondContact O-N 3.35Å; E151-Q154 PolarHBondContact O-N 3.2Å; E151-A155 WeakPolarHBondContact O-CB 3.37Å; E151-A155 PolarHBondContact O-N 2.95Å
152V88.6Confident89Confident24 Ų2481 Ų8115%0.14546%0.457CS..Hα-helixtrans-63.7-42.2177.9170.40000110.9F77 N148 L149 A155 W156 P165 I167F77-V152 HydrophobicContact CD2-CB 4.29Å; F77-V152 HydrophobicContact CD2-CG1 4.21Å; F77-V152 HydrophobicContact CD2-CG2 4.23Å; F77-V152 HydrophobicContact CE2-CB 4.44Å; F77-V152 HydrophobicContact CE2-CG2 4.1Å; N148-V152 WeakPolarHBondContact O-CB 3.37Å; N148-V152 VanDerWaalsContact O-CG2 3.3Å; N148-V152 WeakPolarHBondContact O-CG2 3.42Å; N148-V152 PolarHBondContact O-N 3.35Å; L149-V152 PolarHBondContact O-N 3.24Å; V152-A155 PolarHBondContact O-N 3.21Å; V152-W156 VanDerWaalsContact O-CB 3.26Å; V152-W156 WeakPolarHBondContact O-CB 3.47Å; V152-W156 PolarHBondContact O-N 2.92Å; V152-P165 HydrophobicContact CG1-CB 3.74Å; V152-P165 HydrophobicContact CG1-CG 4.16Å; V152-I167 HydrophobicContact CG1-CG2 3.6Å
153E89.9Confident88.7Confident95 Ų9583.2 Ų83.244%0.44448%0.482SS..Hα-helixtrans-66.9-42.3179.3-173.6169.3-158.300111.7L149 A155 W156 I157L149-E153 WeakPolarHBondContact O-CB 3.44Å; L149-E153 PolarHBondContact O-N 3.32Å; E153-A155 PolarHBondContact O-N 3.29Å; E153-W156 WeakPolarHBondContact O-CB 3.29Å; E153-W156 PolarHBondContact O-N 3.47Å; E153-I157 HydrophobicContact CG-CD1 3.99Å; E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3Å
154Q90.5Very high88.5Confident141 Ų14184.1 Ų84.166%0.65949%0.485SS*.Hα-helixtrans-60.7-46174.1-75.7177.53.900112.1S150 E151 W156 I157 A158S150-Q154 WeakPolarHBondContact O-CB 3.46Å; S150-Q154 VanDerWaalsContact O-CG 3.27Å; S150-Q154 WeakPolarHBondContact O-CG 3.14Å; S150-Q154 PolarHBondContact O-N 3.39Å; E151-Q154 PolarHBondContact O-N 3.2Å; Q154-W156 VanDerWaalsContact C-N 3.31Å; Q154-W156 PolarHBondContact O-N 3.41Å; Q154-I157 PolarHBondContact O-N 3.46Å; Q154-A158 VanDerWaalsContact O-CB 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.2Å; Q154-A158 PolarHBondContact O-N 3.08Å
155A89Confident88.3Confident55 Ų5576.5 Ų76.546%0.45545%0.453SS..Hα-helixtrans-65.1-35.9177.300000112.4E151 V152 E153 N159E151-A155 WeakPolarHBondContact O-CB 3.37Å; E151-A155 PolarHBondContact O-N 2.95Å; V152-A155 PolarHBondContact O-N 3.21Å; E153-A155 PolarHBondContact O-N 3.29Å; A155-N159 PolarHBondContact O-N 3.46Å
156W89.6Confident88.4Confident62 Ų6276.4 Ų76.424%0.23544%0.442CS..Hα-helixtrans-65.1-46.8176.9-177.4-104.2000112V152 E153 Q154 N159 S161 G163 P165 V166V152-W156 VanDerWaalsContact O-CB 3.26Å; V152-W156 WeakPolarHBondContact O-CB 3.47Å; V152-W156 PolarHBondContact O-N 2.92Å; E153-W156 WeakPolarHBondContact O-CB 3.29Å; E153-W156 PolarHBondContact O-N 3.47Å; Q154-W156 VanDerWaalsContact C-N 3.31Å; Q154-W156 PolarHBondContact O-N 3.41Å; W156-N159 PolarHBondContact O-N 3.41Å; W156-S161 WeakPolarHBondContact O-CB 3.36Å; W156-S161 PolarHBondContact O-N 3.17Å; W156-G163 PolarHBondContact NE1-O 2.94Å; W156-P165 HydrophobicContact CB-CB 4.21Å; W156-P165 HydrophobicContact CD2-CB 4.1Å; W156-P165 HydrophobicContact CE3-CB 4.4Å; W156-P165 HydrophobicContact CG-CB 4.02Å; W156-V166 HydrophobicContact CH2-CB 4.25Å
157I89.6Confident88.3Confident108 Ų10870 Ų7055%0.55442%0.418SS*.Hα-helixtrans-66.8-39.7177.2-65.6167.3000110.8E153 Q154 N159 G160E153-I157 HydrophobicContact CG-CD1 3.99Å; E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3Å; Q154-I157 PolarHBondContact O-N 3.46Å; I157-N159 PolarHBondContact O-N 3.01Å; I157-G160 PolarHBondContact O-N 2.92Å
158A90.5Very high88Confident86 Ų8673.5 Ų73.571%0.71143%0.433SS*.Hα-helixtrans-61.2-29.3177.300000112.9Q154 G160Q154-A158 VanDerWaalsContact O-CB 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.2Å; Q154-A158 PolarHBondContact O-N 3.08Å; A158-G160 PolarHBondContact O-N 3.46Å
159N90.9Very high87.8Confident135 Ų13572.8 Ų72.872%0.72243%0.429SS*.THydrogen-bonded Turntrans-78.90.1173.3-77.6-16.8000113.9A155 W156 I157 S161A155-N159 PolarHBondContact O-N 3.46Å; W156-N159 PolarHBondContact O-N 3.41Å; I157-N159 PolarHBondContact O-N 3.01Å; N159-S161 VanDerWaalsContact C-N 3.32Å
160G87.8Confident87.5Confident64 Ų6474 Ų7466%0.6643%0.434SS*.THydrogen-bonded Turntrans77.414.5179.800000114.3I157 A158I157-G160 PolarHBondContact O-N 2.92Å; A158-G160 PolarHBondContact O-N 3.46Å
161S88.6Confident87.2Confident42 Ų4274 Ų7429%0.29443%0.425SS..  trans-78.9146.2179.1-54.50000111.6W156 N159W156-S161 WeakPolarHBondContact O-CB 3.36Å; W156-S161 PolarHBondContact O-N 3.17Å; N159-S161 VanDerWaalsContact C-N 3.32Å
162V83.5Confident86.8Confident142 Ų14275.3 Ų75.386%0.86143%0.431SS*.  trans-117.7135.9179.3-175.80000109.7
163G83.4Confident86.4Confident57 Ų5779.2 Ų79.259%0.58845%0.446SS*.SBendtrans101.7-172.4-179.600000113.6W156W156-G163 PolarHBondContact NE1-O 2.94Å
164E83.5Confident86.1Confident112 Ų11274.7 Ų74.752%0.52343%0.425SS..SBendtrans-63.9140-178.6-70.8-170148.900112.2Y76 V166Y76-E164 HydrophobicContact CD1-CB 3.84Å; Y76-E164 WeakPolarHBondContact CD1-OE2 3.29Å; Y76-E164 HydrophobicContact CE1-CB 4.16Å; E164-V166 PolarHBondContact O-N 3.31Å
165P85.2Confident85.7Confident13 Ų1368.8 Ų68.88%0.08440%0.397CS..PPolyproline II helixtrans-67120.9-179.225.3-32.1000111.2F77 L149 V152 W156F77-P165 HydrophobicContact CB-CG 4.22Å; F77-P165 PolarHBondContact N-O 2.9Å; L149-P165 HydrophobicContact CD1-CG 4.38Å; V152-P165 HydrophobicContact CG1-CB 3.74Å; V152-P165 HydrophobicContact CG1-CG 4.16Å; W156-P165 HydrophobicContact CB-CB 4.21Å; W156-P165 HydrophobicContact CD2-CB 4.1Å; W156-P165 HydrophobicContact CE3-CB 4.4Å; W156-P165 HydrophobicContact CG-CB 4.02Å
166V88Confident85.2Confident51 Ų5167.7 Ų67.731%0.30939%0.386SS..EExtended strand (participates in β ladder)trans-94119.1170.9-176.10000108.1Q74 Y76 W156 E164Q74-V166 HydrophobicContact CB-CG1 4.19Å; Y76-V166 HydrophobicContact CD1-CG2 4.06Å; Y76-V166 HydrophobicContact CE1-CG2 3.95Å; W156-V166 HydrophobicContact CH2-CB 4.25Å; E164-V166 PolarHBondContact O-N 3.31Å
167I87Confident84.1Confident18 Ų1871.2 Ų71.29%0.09241%0.407CS..EExtended strand (participates in β ladder)trans-121.1154.4-178.364.3168.1000110.6Q74 T75 F77 V152 C169 K173 V174Q74-I167 WeakPolarHBondContact CA-O 3.19Å; T75-I167 PolarHBondContact N-O 3.29Å; T75-I167 PolarHBondContact O-N 2.92Å; T75-I167 VanDerWaalsContact O-O 3.05Å; F77-I167 HydrophobicContact CB-CD1 4.47Å; F77-I167 HydrophobicContact CD2-CD1 3.81Å; F77-I167 HydrophobicContact CG-CD1 4.48Å; V152-I167 HydrophobicContact CG1-CG2 3.6Å; I167-C169 PolarHBondContact O-N 2.9Å; I167-K173 HydrophobicContact CD1-CB 4.18Å; I167-V174 HydrophobicContact CD1-CG1 3.56Å
168K86Confident82.4Confident99 Ų9976.4 Ų76.443%0.4343%0.429SS..EExtended strand (participates in β ladder)trans-65.7123.1161.4-165.3-176.3174.2-152.80107.7G72 E170G72-K168 WeakPolarHBondContact O-CG 3.25Å; K168-E170 HydrophobicContact CD-CG 4.39Å; K168-E170 WeakPolarHBondContact CD-OE1 3.3Å; K168-E170 VanDerWaalsContact CE-OE1 3.29Å; K168-E170 WeakPolarHBondContact CE-OE1 3.44Å; K168-E170 HydrophobicContact CG-CG 4.35Å; K168-E170 IonicContact NZ-OE1 2.72Å; K168-E170 PolarHBondContact NZ-OE1 3.16Å; K168-E170 PolarHBondContact O-N 3.48Å
169C85.2Confident82Confident4 Ų475.9 Ų75.93%0.02742%0.415CS..  trans-7299-175.8-175.20000110.7G72 P73 C80 I167G72-C169 WeakPolarHBondContact CA-O 3.44Å; P73-C169 WeakPolarHBondContact O-CB 3.24Å; P73-C169 PolarHBondContact O-N 2.91Å; C80-C169 WeakPolarHBondContact CA-SG 3.48Å; C80-C169 HydrophobicContact CB-CB 3.72Å; C80-C169 WeakPolarHBondContact CB-SG 3.31Å; C80-C169 WeakPolarHBondContact SG-CA 3.49Å; C80-C169 WeakPolarHBondContact SG-CB 3.44Å; C80-C169 CovalentContact SG-SG 2.04Å; C80-C169 PolarHBondContact SG-SG 3.26Å; I167-C169 PolarHBondContact O-N 2.9Å
170E83.8Confident81.5Confident65 Ų6572.8 Ų72.830%0.30440%0.399SS..  trans-131.1140.7177.7-68.1176.3161.700108.2K168 E172 K173K168-E170 HydrophobicContact CD-CG 4.39Å; K168-E170 WeakPolarHBondContact CD-OE1 3.3Å; K168-E170 VanDerWaalsContact CE-OE1 3.29Å; K168-E170 WeakPolarHBondContact CE-OE1 3.44Å; K168-E170 HydrophobicContact CG-CG 4.35Å; K168-E170 IonicContact NZ-OE1 2.72Å; K168-E170 PolarHBondContact NZ-OE1 3.16Å; K168-E170 PolarHBondContact O-N 3.48Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.46Å; E170-K173 HydrophobicContact CB-CB 4.36Å; E170-K173 HydrophobicContact CB-CG 3.98Å; E170-K173 WeakPolarHBondContact O-CB 3.41Å; E170-K173 PolarHBondContact O-N 2.96Å
171F80.8Confident81.2Confident70 Ų7073.3 Ų73.331%0.30738%0.384SS..Hα-helixtrans-56.2-43.6-175.6-175.8-87.1000112.3A84 L88 K173 V174 I175A84-F171 HydrophobicContact CB-CD2 4.47Å; L88-F171 HydrophobicContact CD2-CE2 3.81Å; L88-F171 HydrophobicContact CD2-CZ 3.57Å; L88-F171 HydrophobicContact CG-CE2 3.97Å; L88-F171 HydrophobicContact CG-CZ 4.2Å; F171-K173 VanDerWaalsContact C-N 3.25Å; F171-K173 PolarHBondContact O-N 3.2Å; F171-V174 WeakPolarHBondContact O-CG2 3.27Å; F171-V174 PolarHBondContact O-N 3.4Å; F171-I175 HydrophobicContact CD1-CD1 4.1Å; F171-I175 HydrophobicContact CD2-CD1 3.46Å; F171-I175 VanDerWaalsContact CD2-CD1 3.46Å; F171-I175 HydrophobicContact CE1-CB 4.31Å; F171-I175 HydrophobicContact CE1-CD1 3.83Å; F171-I175 HydrophobicContact CE1-CG2 4.28Å; F171-I175 HydrophobicContact CE2-CD1 3.15Å; F171-I175 HydrophobicContact CG-CD1 3.95Å; F171-I175 HydrophobicContact CZ-CD1 3.37Å; F171-I175 HydrophobicContact CZ-CG2 4.47Å; F171-I175 PolarHBondContact O-N 3.23Å
172E82Confident80.8Confident138 Ų13875.1 Ų75.165%0.64539%0.39SS*.Hα-helixtrans-66.5-23.8179.5-57.6179.5171.600113.4N148 E170 M177N148-E172 PolarHBondContact ND2-O 3.49Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.46Å; E172-M177 HydrophobicContact CB-CE 4.45Å; E172-M177 HydrophobicContact CG-CE 3.89Å
173K80.2Confident80.6Confident107 Ų10770.9 Ų70.947%0.46536%0.36SS..Hα-helixtrans-77.3-27.3179.1-73.3-83.9-176175.50112.5I167 E170 F171I167-K173 HydrophobicContact CD1-CB 4.18Å; E170-K173 HydrophobicContact CB-CB 4.36Å; E170-K173 HydrophobicContact CB-CG 3.98Å; E170-K173 WeakPolarHBondContact O-CB 3.41Å; E170-K173 PolarHBondContact O-N 2.96Å; F171-K173 VanDerWaalsContact C-N 3.25Å; F171-K173 PolarHBondContact O-N 3.2Å
174V82.3Confident80.4Confident0 Ų071.9 Ų71.90%035%0.345CS..Hα-helixtrans-106.2-30.2-173.5-68.90000113.3F77 C80 L81 A84 N147 N148 I167 F171F77-V174 HydrophobicContact CD2-CG1 4.1Å; F77-V174 HydrophobicContact CE2-CB 4.27Å; F77-V174 HydrophobicContact CE2-CG1 3.9Å; F77-V174 HydrophobicContact CZ-CB 4.3Å; F77-V174 HydrophobicContact CZ-CG1 4.28Å; C80-V174 HydrophobicContact CB-CG1 3.91Å; L81-V174 HydrophobicContact CD1-CB 4.15Å; A84-V174 HydrophobicContact CB-CG2 4.04Å; N147-V174 WeakPolarHBondContact CA-O 3.31Å; N147-V174 VanDerWaalsContact CB-O 3.31Å; N147-V174 WeakPolarHBondContact CB-O 3.49Å; N148-V174 PolarHBondContact N-O 2.95Å; I167-V174 HydrophobicContact CD1-CG1 3.56Å; F171-V174 WeakPolarHBondContact O-CG2 3.27Å; F171-V174 PolarHBondContact O-N 3.4Å
175I82.1Confident80.2Confident16 Ų1669 Ų698%0.08233%0.332CS..BIsolated β-bridgetrans-102.9128.8-176.7-69.8156.7000109.8A84 L88 P142 N148 F171 M177A84-I175 HydrophobicContact CB-CD1 4.05Å; L88-I175 HydrophobicContact CD1-CD1 3.63Å; L88-I175 HydrophobicContact CD1-CG1 4.28Å; L88-I175 HydrophobicContact CG-CD1 4.12Å; P142-I175 HydrophobicContact CB-CG1 4.45Å; P142-I175 HydrophobicContact CG-CG1 4.3Å; N148-I175 PolarHBondContact ND2-O 2.92Å; N148-I175 VanDerWaalsContact ND2-O 3.09Å; F171-I175 HydrophobicContact CD1-CD1 4.1Å; F171-I175 HydrophobicContact CD2-CD1 3.46Å; F171-I175 VanDerWaalsContact CD2-CD1 3.46Å; F171-I175 HydrophobicContact CE1-CB 4.31Å; F171-I175 HydrophobicContact CE1-CD1 3.83Å; F171-I175 HydrophobicContact CE1-CG2 4.28Å; F171-I175 HydrophobicContact CE2-CD1 3.15Å; F171-I175 HydrophobicContact CG-CD1 3.95Å; F171-I175 HydrophobicContact CZ-CD1 3.37Å; F171-I175 HydrophobicContact CZ-CG2 4.47Å; F171-I175 PolarHBondContact O-N 3.23Å; I175-M177 PolarHBondContact O-N 3.13Å
176S78.2Confident79.8Confident32 Ų3273.3 Ų73.322%0.22435%0.351CS..  trans-72.2124.5172.9-171.20000109.2N148N148-S176 WeakPolarHBondContact OD1-CA 3.41Å; N148-S176 WeakPolarHBondContact OD1-CB 3.37Å; N148-S176 PolarHBondContact OD1-N 2.89Å
177M66.9Low79.1Confident136 Ų13675.2 Ų75.267%0.6736%0.355SS*.  trans-103.68.1176.2-65.7-155.2-73.300112.6E172 I175E172-M177 HydrophobicContact CB-CE 4.45Å; E172-M177 HydrophobicContact CG-CE 3.89Å; I175-M177 PolarHBondContact O-N 3.13Å
178E55Low78.4Confident217 Ų21780.4 Ų80.4100%1.01438%0.379SS*.  trans-100.60177.5-61.5-163.7144.800112.6

Retrieved 178 of 178 residues in 49.8 ms (Link to these results)

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