Q99PC1_RAT Loading...

Putative pheromone receptor V2R2a

AlphaFold DB , UniProt , Accession Q99PC1, Species RAT (Rattus norvegicus, Rat), Gene n/a, Length 140 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
1G54.7Low69.2Low98 Ų98116.1 Ų116.1100%1.0162%0.624SS**  0-68.4000000112.4
2R57.5Low69.7Low220 Ų220111.3 Ų111.383%0.8359%0.593SS**Hα-helixtrans-67.5-41.3-171.7-69.4-169.8-89-122.52.6115.1S4 I5 E6R2-S4 VanDerWaalsContact C-N 3.34Å; R2-S4 PolarHBondContact O-N 3.41Å; R2-I5 PolarHBondContact O-N 3.23Å; R2-E6 PolarHBondContact O-N 3.33Å
3C59Low70.5Confident111 Ų111105.2 Ų105.275%0.7557%0.574SS**Hα-helixtrans-64.9-29.8-176.5-52.20000115F7C3-F7 PolarHBondContact O-N 3.21Å
4S69.7Low71Confident79 Ų79107 Ų10755%0.55257%0.573SS**Hα-helixtrans-76.6-26.3179.3-540000112.8R2 L8R2-S4 VanDerWaalsContact C-N 3.34Å; R2-S4 PolarHBondContact O-N 3.41Å; S4-L8 WeakPolarHBondContact O-CB 3.24Å; S4-L8 WeakPolarHBondContact O-CD1 3.22Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.4Å; S4-L8 PolarHBondContact O-N 3.42Å; S4-L8 VanDerWaalsContact O-N 3.09Å
5I67.6Low71.5Confident73 Ų73105.8 Ų105.837%0.37457%0.567SS.*Hα-helixtrans-74.1-42179.7-57.6174.6000109.7R2 F7 L8 Y9R2-I5 PolarHBondContact O-N 3.23Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.44Å; I5-L8 PolarHBondContact O-N 3.5Å; I5-Y9 WeakPolarHBondContact O-CB 3.39Å; I5-Y9 PolarHBondContact O-N 3.22Å
6E75.3Confident72Confident141 Ų141101.5 Ų101.566%0.65955%0.545SS*.Hα-helixtrans-57.2-45.7173.4-63.2-64.6141.800111.7R2 Y9 S10R2-E6 PolarHBondContact O-N 3.33Å; E6-Y9 PolarHBondContact O-N 3.26Å; E6-S10 WeakPolarHBondContact O-CB 2.74Å; E6-S10 PolarHBondContact O-N 2.67Å
7F76.3Confident72.5Confident137 Ų137101.8 Ų101.860%0.60155%0.546SS*.Hα-helixtrans-66.7-39.8179.4-169.2-106000112.7C3 I5 Y9 S10 I11C3-F7 PolarHBondContact O-N 3.21Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.44Å; F7-Y9 VanDerWaalsContact C-N 3.34Å; F7-S10 PolarHBondContact O-N 3.19Å; F7-I11 HydrophobicContact CD1-CD1 3.61Å; F7-I11 HydrophobicContact CD1-CG1 4.46Å; F7-I11 HydrophobicContact CE1-CD1 3.14Å; F7-I11 HydrophobicContact CE1-CG1 4.2Å; F7-I11 HydrophobicContact CE2-CD1 4.43Å; F7-I11 HydrophobicContact CG-CD1 4.44Å; F7-I11 HydrophobicContact CZ-CD1 3.62Å; F7-I11 HydrophobicContact CZ-CG1 4.36Å; F7-I11 PolarHBondContact O-N 3.41Å
8L69.8Low72.7Confident84 Ų84101.2 Ų101.244%0.4454%0.542SS..Hα-helixtrans-62.2-43173.7-76.9168.2000111.4S4 I5 S10 I11 F12S4-L8 WeakPolarHBondContact O-CB 3.24Å; S4-L8 WeakPolarHBondContact O-CD1 3.22Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.4Å; S4-L8 PolarHBondContact O-N 3.42Å; S4-L8 VanDerWaalsContact O-N 3.09Å; I5-L8 PolarHBondContact O-N 3.5Å; L8-S10 VanDerWaalsContact C-N 3.35Å; L8-I11 PolarHBondContact O-N 3.29Å; L8-F12 WeakPolarHBondContact O-CB 3.28Å; L8-F12 PolarHBondContact O-N 3.25Å
9Y74Confident72.7Confident181 Ų18196.7 Ų96.771%0.7152%0.521SS*.Hα-helixtrans-65.6-39.3178.7-151.3-94.9000111.8I5 E6 F7 F12 G13I5-Y9 WeakPolarHBondContact O-CB 3.39Å; I5-Y9 PolarHBondContact O-N 3.22Å; E6-Y9 PolarHBondContact O-N 3.26Å; F7-Y9 VanDerWaalsContact C-N 3.34Å; Y9-F12 PolarHBondContact O-N 3.44Å; Y9-G13 PolarHBondContact O-N 3.15Å
10S79.7Confident72.9Confident81 Ų8196.1 Ų96.157%0.56652%0.517SS*.Hα-helixtrans-64.7-46.8175.5-174.20000112.4E6 F7 L8 F12 G13 F14E6-S10 WeakPolarHBondContact O-CB 2.74Å; E6-S10 PolarHBondContact O-N 2.67Å; F7-S10 PolarHBondContact O-N 3.19Å; L8-S10 VanDerWaalsContact C-N 3.35Å; S10-F12 VanDerWaalsContact C-N 3.34Å; S10-F12 PolarHBondContact O-N 2.96Å; S10-G13 PolarHBondContact O-N 3.24Å; S10-F14 WeakPolarHBondContact O-CB 3.3Å; S10-F14 PolarHBondContact O-N 3.26Å
11I77.6Confident73.1Confident72 Ų7296 Ų9637%0.36952%0.515SS..Hα-helixtrans-61.7-42.8175-77.3174.9000111.1F7 L8 F14 N15F7-I11 HydrophobicContact CD1-CD1 3.61Å; F7-I11 HydrophobicContact CD1-CG1 4.46Å; F7-I11 HydrophobicContact CE1-CD1 3.14Å; F7-I11 HydrophobicContact CE1-CG1 4.2Å; F7-I11 HydrophobicContact CE2-CD1 4.43Å; F7-I11 HydrophobicContact CG-CD1 4.44Å; F7-I11 HydrophobicContact CZ-CD1 3.62Å; F7-I11 HydrophobicContact CZ-CG1 4.36Å; F7-I11 PolarHBondContact O-N 3.41Å; L8-I11 PolarHBondContact O-N 3.29Å; I11-F14 PolarHBondContact O-N 2.87Å; I11-N15 PolarHBondContact O-N 2.86Å; I11-N15 PolarHBondContact O-ND2 3.43Å
12F75.6Confident74.1Confident58 Ų5895 Ų9525%0.25449%0.492SS..Hα-helixtrans-65.3-45.3178.1-123.9-84.4000111.4L8 Y9 S10 F14 N15 V16 I54 V57L8-F12 WeakPolarHBondContact O-CB 3.28Å; L8-F12 PolarHBondContact O-N 3.25Å; Y9-F12 PolarHBondContact O-N 3.44Å; S10-F12 VanDerWaalsContact C-N 3.34Å; S10-F12 PolarHBondContact O-N 2.96Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 3.19Å; F12-N15 PolarHBondContact O-N 2.89Å; F12-V16 HydrophobicContact CD1-CG2 4.18Å; F12-V16 WeakPolarHBondContact O-CB 3.26Å; F12-V16 VanDerWaalsContact O-CG2 3.24Å; F12-V16 WeakPolarHBondContact O-CG2 3.1Å; F12-V16 PolarHBondContact O-N 2.88Å; F12-I54 HydrophobicContact CE1-CG1 4.35Å; F12-V57 HydrophobicContact CD1-CG2 4.16Å; F12-V57 HydrophobicContact CD2-CG1 4.41Å; F12-V57 HydrophobicContact CD2-CG2 4.42Å; F12-V57 HydrophobicContact CE1-CG2 3.4Å; F12-V57 VanDerWaalsContact CE1-CG2 3.4Å; F12-V57 HydrophobicContact CE2-CG1 4.28Å; F12-V57 HydrophobicContact CE2-CG2 3.7Å; F12-V57 HydrophobicContact CZ-CB 4.42Å; F12-V57 HydrophobicContact CZ-CG1 4.48Å; F12-V57 HydrophobicContact CZ-CG2 3.14Å
13G80Confident74.8Confident33 Ų3386.7 Ų86.734%0.3446%0.462SS..Hα-helixtrans-56.9-45.1175.500000112.1Y9 S10 V16 L17Y9-G13 PolarHBondContact O-N 3.15Å; S10-G13 PolarHBondContact O-N 3.24Å; G13-V16 PolarHBondContact O-N 3.43Å; G13-L17 WeakPolarHBondContact O-CB 2.74Å; G13-L17 PolarHBondContact O-N 2.95Å
14F76.8Confident75.6Confident130 Ų13085.5 Ų85.557%0.5745%0.448SS*.Hα-helixtrans-64.8-44.8177.3179.4-102.3000112.7S10 I11 F12 V16 L17 L18S10-F14 WeakPolarHBondContact O-CB 3.3Å; S10-F14 PolarHBondContact O-N 3.26Å; I11-F14 PolarHBondContact O-N 2.87Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 3.19Å; F14-V16 VanDerWaalsContact C-N 3.31Å; F14-V16 PolarHBondContact O-N 3.43Å; F14-L17 PolarHBondContact O-N 3.07Å; F14-L18 HydrophobicContact CE1-CD2 4.11Å; F14-L18 HydrophobicContact CZ-CD2 4.38Å; F14-L18 VanDerWaalsContact O-CB 3.27Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 PolarHBondContact O-N 3.45Å
15N79.5Confident75.6Confident89 Ų8986.3 Ų86.348%0.47645%0.45SS..Hα-helixtrans-63-37.5177.1-82.4-82.9000112.1I11 F12 A19I11-N15 PolarHBondContact O-N 2.86Å; I11-N15 PolarHBondContact O-ND2 3.43Å; F12-N15 PolarHBondContact O-N 2.89Å; N15-A19 VanDerWaalsContact O-CB 3.29Å; N15-A19 WeakPolarHBondContact O-CB 3.39Å; N15-A19 PolarHBondContact O-N 3.2Å
16V78.8Confident75.8Confident37 Ų3785.7 Ų85.722%0.22445%0.449CS..Hα-helixtrans-70.2-42.6176.6172.50000111.4F12 G13 F14 A19 L20 I54F12-V16 HydrophobicContact CD1-CG2 4.18Å; F12-V16 WeakPolarHBondContact O-CB 3.26Å; F12-V16 VanDerWaalsContact O-CG2 3.24Å; F12-V16 WeakPolarHBondContact O-CG2 3.1Å; F12-V16 PolarHBondContact O-N 2.88Å; G13-V16 PolarHBondContact O-N 3.43Å; F14-V16 VanDerWaalsContact C-N 3.31Å; F14-V16 PolarHBondContact O-N 3.43Å; V16-A19 PolarHBondContact O-N 3.42Å; V16-L20 HydrophobicContact CG1-CD1 4.09Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 PolarHBondContact O-N 3.39Å; V16-I54 HydrophobicContact CB-CD1 4.46Å; V16-I54 HydrophobicContact CG1-CD1 3.96Å; V16-I54 HydrophobicContact CG2-CD1 3.58Å; V16-I54 HydrophobicContact CG2-CG1 3.81Å
17L79.9Confident75.4Confident107 Ų10781.1 Ų81.156%0.5643%0.428SS*.Hα-helixtrans-60.5-45.5173.2-104.3160.7000111.4G13 F14 A19 L20 L21G13-L17 WeakPolarHBondContact O-CB 2.74Å; G13-L17 PolarHBondContact O-N 2.95Å; F14-L17 PolarHBondContact O-N 3.07Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.48Å; L17-L20 PolarHBondContact O-N 3.46Å; L17-L21 WeakPolarHBondContact O-CB 3.04Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.47Å
18L76.6Confident75Confident91 Ų9179.3 Ų79.348%0.47643%0.427SS..Hα-helixtrans-64.5-39.2178.9-168.363.6000111.6F14 L21 C22F14-L18 HydrophobicContact CE1-CD2 4.11Å; F14-L18 HydrophobicContact CZ-CD2 4.38Å; F14-L18 VanDerWaalsContact O-CB 3.27Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 PolarHBondContact O-N 3.45Å; L18-L21 PolarHBondContact O-N 3.37Å; L18-C22 VanDerWaalsContact O-CB 3.31Å; L18-C22 WeakPolarHBondContact O-CB 3.47Å; L18-C22 PolarHBondContact O-N 3.49Å
19A73.1Confident74.8Confident16 Ų1679 Ų7913%0.13244%0.436CS..Hα-helixtrans-64.1-43.3173.100000112.5N15 V16 L17 C22 F23 F50N15-A19 VanDerWaalsContact O-CB 3.29Å; N15-A19 WeakPolarHBondContact O-CB 3.39Å; N15-A19 PolarHBondContact O-N 3.2Å; V16-A19 PolarHBondContact O-N 3.42Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.48Å; A19-C22 PolarHBondContact O-N 3.21Å; A19-F23 VanDerWaalsContact O-CB 3.27Å; A19-F23 WeakPolarHBondContact O-CB 3.11Å; A19-F23 PolarHBondContact O-N 3.2Å; A19-F50 HydrophobicContact CB-CD1 3.91Å; A19-F50 HydrophobicContact CB-CD2 4.23Å; A19-F50 HydrophobicContact CB-CE1 3.37Å; A19-F50 HydrophobicContact CB-CE2 3.76Å; A19-F50 HydrophobicContact CB-CG 4.32Å; A19-F50 HydrophobicContact CB-CZ 3.31Å
20L75.8Confident74Confident84 Ų8474.6 Ų74.644%0.4442%0.419SS..Hα-helixtrans-63-43.3174.6-97153.1000111.8V16 L17 F23 L24V16-L20 HydrophobicContact CG1-CD1 4.09Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 PolarHBondContact O-N 3.39Å; L17-L20 PolarHBondContact O-N 3.46Å; L20-F23 WeakPolarHBondContact O-CB 3.43Å; L20-F23 PolarHBondContact O-N 3.26Å; L20-L24 WeakPolarHBondContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.09Å; L20-L24 PolarHBondContact O-N 3.36Å
21L77.9Confident72.9Confident93 Ų9374.3 Ų74.349%0.48741%0.408SS..Hα-helixtrans-62.4-47.2174.9-72.6169.1000110.6L17 L18 F23 L24 T25L17-L21 WeakPolarHBondContact O-CB 3.04Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.47Å; L18-L21 PolarHBondContact O-N 3.37Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.42Å; L21-L24 PolarHBondContact O-N 3.08Å; L21-L24 VanDerWaalsContact O-N 3.14Å; L21-T25 PolarHBondContact O-N 3.16Å; L21-T25 PolarHBondContact O-OG1 3.46Å
22C76.3Confident71.9Confident77 Ų7778.8 Ų78.852%0.5243%0.432SS..Hα-helixtrans-59-41.8175.9-174.20000112.2L18 A19 T25 T26L18-C22 VanDerWaalsContact O-CB 3.31Å; L18-C22 WeakPolarHBondContact O-CB 3.47Å; L18-C22 PolarHBondContact O-N 3.49Å; A19-C22 PolarHBondContact O-N 3.21Å; C22-T25 PolarHBondContact O-N 3.08Å; C22-T26 VanDerWaalsContact O-CB 3.31Å; C22-T26 WeakPolarHBondContact O-CB 3.24Å; C22-T26 PolarHBondContact O-N 3.45Å; C22-T26 PolarHBondContact O-OG1 2.99Å
23F72.4Confident70.8Confident46 Ų4680.1 Ų80.120%0.20245%0.447CS..Hα-helixtrans-60.7-47.3173.5173-88000111.8A19 L20 L21 T26 F27 T43 L47A19-F23 VanDerWaalsContact O-CB 3.27Å; A19-F23 WeakPolarHBondContact O-CB 3.11Å; A19-F23 PolarHBondContact O-N 3.2Å; L20-F23 WeakPolarHBondContact O-CB 3.43Å; L20-F23 PolarHBondContact O-N 3.26Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.42Å; F23-T26 PolarHBondContact O-N 3.3Å; F23-F27 VanDerWaalsContact O-CB 3.25Å; F23-F27 WeakPolarHBondContact O-CB 3.4Å; F23-F27 PolarHBondContact O-N 3.3Å; F23-T43 HydrophobicContact CD2-CG2 3.82Å; F23-T43 HydrophobicContact CE2-CG2 3.43Å; F23-T43 VanDerWaalsContact CE2-CG2 3.43Å; F23-T43 VanDerWaalsContact CE2-O 3.27Å; F23-T43 WeakPolarHBondContact CE2-O 3.49Å; F23-T43 HydrophobicContact CZ-CG2 3.87Å; F23-L47 HydrophobicContact CD1-CD1 4.25Å; F23-L47 HydrophobicContact CD2-CB 4.48Å; F23-L47 HydrophobicContact CD2-CD1 4.17Å; F23-L47 HydrophobicContact CE1-CD1 3.8Å; F23-L47 HydrophobicContact CE2-CB 3.99Å; F23-L47 HydrophobicContact CE2-CD1 3.64Å; F23-L47 HydrophobicContact CE2-CG 4.44Å; F23-L47 HydrophobicContact CG-CD1 4.44Å; F23-L47 HydrophobicContact CZ-CD1 3.47Å; F23-L47 VanDerWaalsContact CZ-CD1 3.47Å
24L74.6Confident69.8Low86 Ų8686.2 Ų86.245%0.4547%0.471SS..Hα-helixtrans-64-44.3178.9-72.5167.9000111.2L20 L21 T26 F27 V28L20-L24 WeakPolarHBondContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.09Å; L20-L24 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 3.08Å; L21-L24 VanDerWaalsContact O-N 3.14Å; L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 3.47Å; L24-F27 PolarHBondContact O-N 2.95Å; L24-V28 WeakPolarHBondContact O-CB 3.24Å; L24-V28 VanDerWaalsContact O-CG2 3.24Å; L24-V28 WeakPolarHBondContact O-CG2 2.86Å; L24-V28 PolarHBondContact O-N 3.32Å
25T71.1Confident68.8Low97 Ų9783.9 Ų83.960%0.59547%0.465SS*.Hα-helixtrans-63.5-40176.9-430000111.1L21 C22 A29L21-T25 PolarHBondContact O-N 3.16Å; L21-T25 PolarHBondContact O-OG1 3.46Å; C22-T25 PolarHBondContact O-N 3.08Å; T25-A29 VanDerWaalsContact O-CB 3.22Å; T25-A29 WeakPolarHBondContact O-CB 3.14Å; T25-A29 PolarHBondContact O-N 3.45Å
26T71Confident67.6Low59 Ų5985.6 Ų85.636%0.36247%0.466SS..Hα-helixtrans-66.8-39.6174.7-57.30000111.6C22 F23 L24 R30C22-T26 VanDerWaalsContact O-CB 3.31Å; C22-T26 WeakPolarHBondContact O-CB 3.24Å; C22-T26 PolarHBondContact O-N 3.45Å; C22-T26 PolarHBondContact O-OG1 2.99Å; F23-T26 PolarHBondContact O-N 3.3Å; L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 3.47Å; T26-R30 HydrophobicContact CG2-CG 4.49Å; T26-R30 VanDerWaalsContact O-CB 3.3Å; T26-R30 WeakPolarHBondContact O-CB 3.42Å; T26-R30 WeakPolarHBondContact O-CG 3.18Å; T26-R30 PolarHBondContact O-N 3.08Å
27F66.9Low66.4Low46 Ų4692.9 Ų92.920%0.20249%0.491CS..Hα-helixtrans-65.7-47.6176.5-178.3-101.6000110.9F23 L24 A29 R30 Q31 K40 T43F23-F27 VanDerWaalsContact O-CB 3.25Å; F23-F27 WeakPolarHBondContact O-CB 3.4Å; F23-F27 PolarHBondContact O-N 3.3Å; L24-F27 PolarHBondContact O-N 2.95Å; F27-A29 VanDerWaalsContact C-N 3.35Å; F27-A29 PolarHBondContact O-N 3.23Å; F27-R30 CarbonylContact O-C 3.44Å; F27-R30 WeakPolarHBondContact O-CA 3.23Å; F27-R30 WeakPolarHBondContact O-CB 3.34Å; F27-R30 PolarHBondContact O-N 3.09Å; F27-Q31 HydrophobicContact CD1-CG 3.92Å; F27-Q31 HydrophobicContact CE1-CG 3.66Å; F27-Q31 HydrophobicContact CE2-CG 4.48Å; F27-Q31 HydrophobicContact CG-CG 4.43Å; F27-Q31 HydrophobicContact CZ-CG 3.96Å; F27-Q31 WeakPolarHBondContact O-CG 3.46Å; F27-Q31 PolarHBondContact O-N 3.46Å; F27-K40 HydrophobicContact CE2-CG 4.47Å; F27-T43 HydrophobicContact CB-CG2 4.33Å; F27-T43 HydrophobicContact CD2-CG2 4.38Å
28V67.4Low65.3Low99 Ų9991 Ų9160%0.648%0.479SS*.Hα-helixtrans-62-41.6176.11720000111.1L24 R30 Q31L24-V28 WeakPolarHBondContact O-CB 3.24Å; L24-V28 VanDerWaalsContact O-CG2 3.24Å; L24-V28 WeakPolarHBondContact O-CG2 2.86Å; L24-V28 PolarHBondContact O-N 3.32Å; V28-R30 PolarHBondContact O-N 3.29Å; V28-Q31 PolarHBondContact O-N 3.07Å
29A66.1Low64.5Low76 Ų7687.2 Ų87.263%0.62846%0.462SS*.Hα-helixtrans-64.1-27.4173.700000113T25 F27T25-A29 VanDerWaalsContact O-CB 3.22Å; T25-A29 WeakPolarHBondContact O-CB 3.14Å; T25-A29 PolarHBondContact O-N 3.45Å; F27-A29 VanDerWaalsContact C-N 3.35Å; F27-A29 PolarHBondContact O-N 3.23Å
30R57.6Low63.8Low89 Ų8990.9 Ų90.934%0.33648%0.475SS..Hα-helixtrans-88.7-10.1176.6-71.9-88.7-172.2160.1-0.1113.8T26 F27 V28 L32 P33 F93T26-R30 HydrophobicContact CG2-CG 4.49Å; T26-R30 VanDerWaalsContact O-CB 3.3Å; T26-R30 WeakPolarHBondContact O-CB 3.42Å; T26-R30 WeakPolarHBondContact O-CG 3.18Å; T26-R30 PolarHBondContact O-N 3.08Å; F27-R30 CarbonylContact O-C 3.44Å; F27-R30 WeakPolarHBondContact O-CA 3.23Å; F27-R30 WeakPolarHBondContact O-CB 3.34Å; F27-R30 PolarHBondContact O-N 3.09Å; V28-R30 PolarHBondContact O-N 3.29Å; R30-L32 VanDerWaalsContact C-N 3.28Å; R30-L32 PolarHBondContact O-N 3.4Å; R30-P33 WeakPolarHBondContact O-CD 3.33Å; R30-F93 VanDerWaalsContact NH1-CZ 3.31Å
31Q56.7Low63.2Low75 Ų7591.1 Ų91.135%0.3548%0.483SS..SBendtrans-79.5-4.6-177.5-76.8-88.784.600113.7F27 V28 Y36F27-Q31 HydrophobicContact CD1-CG 3.92Å; F27-Q31 HydrophobicContact CE1-CG 3.66Å; F27-Q31 HydrophobicContact CE2-CG 4.48Å; F27-Q31 HydrophobicContact CG-CG 4.43Å; F27-Q31 HydrophobicContact CZ-CG 3.96Å; F27-Q31 WeakPolarHBondContact O-CG 3.46Å; F27-Q31 PolarHBondContact O-N 3.46Å; V28-Q31 PolarHBondContact O-N 3.07Å; Q31-Y36 VanDerWaalsContact OE1-CD2 3.26Å
32L56.8Low62.8Low166 Ų16687.6 Ų87.687%0.86946%0.464SS*.SBendtrans-115.44.7-178.2-104.685.8000119.7R30R30-L32 VanDerWaalsContact C-N 3.28Å; R30-L32 PolarHBondContact O-N 3.4Å
33P51.4Low62.6Low86 Ų8684.3 Ų84.356%0.55844%0.441SS*.SBendtrans-121.6100.2167.630.1-11.5000111.4R30 N35R30-P33 WeakPolarHBondContact O-CD 3.33Å; P33-N35 VanDerWaalsContact C-N 3.32Å; P33-N35 PolarHBondContact O-N 2.8Å
34D58.2Low62.4Low161 Ų16189 Ų8986%0.86146%0.462SS*.SBendtrans47.314.6145-137.63.7000122.5
35N56.9Low62.3Low81 Ų8186.9 Ų86.943%0.43346%0.461SS..  trans-161.181.5168.6-95.7-37.8000112.4P33 Y37 E38 G39P33-N35 VanDerWaalsContact C-N 3.32Å; P33-N35 PolarHBondContact O-N 2.8Å; N35-Y37 PolarHBondContact O-N 2.97Å; N35-E38 HydrophobicContact CB-CB 3.88Å; N35-E38 HydrophobicContact CB-CG 3.8Å; N35-E38 VanDerWaalsContact CB-OE2 3.24Å; N35-E38 WeakPolarHBondContact CB-OE2 3.42Å; N35-E38 PolarHBondContact ND2-OE1 3.49Å; N35-E38 PolarHBondContact ND2-OE2 2.78Å; N35-E38 PolarHBondContact O-N 2.84Å; N35-E38 VanDerWaalsContact O-N 3.09Å; N35-G39 PolarHBondContact O-N 3.27Å
36Y55Low62.4Low126 Ų12684.8 Ų84.849%0.49445%0.445SS..THydrogen-bonded Turntrans-54.9-22.3-179.1-166.3-96.5000114.4Q31 K40Q31-Y36 VanDerWaalsContact OE1-CD2 3.26Å; Y36-K40 HydrophobicContact CD1-CD 4.45Å; Y36-K40 HydrophobicContact CE1-CD 4.32Å; Y36-K40 WeakPolarHBondContact O-CD 3.48Å; Y36-K40 WeakPolarHBondContact O-CG 3.48Å
37Y53.6Low62.5Low190 Ų19085 Ų8575%0.74544%0.444SS*.THydrogen-bonded Turntrans-94.3-26.6-179-40.1-76.2000113.3N35N35-Y37 PolarHBondContact O-N 2.97Å
38E56.5Low62.9Low67 Ų6785.8 Ų85.831%0.31345%0.452SS..Hα-helixtrans-76.9-32.8-179.8-69.4-176.5154.100112.2N35 F93 L97N35-E38 HydrophobicContact CB-CB 3.88Å; N35-E38 HydrophobicContact CB-CG 3.8Å; N35-E38 VanDerWaalsContact CB-OE2 3.24Å; N35-E38 WeakPolarHBondContact CB-OE2 3.42Å; N35-E38 PolarHBondContact ND2-OE1 3.49Å; N35-E38 PolarHBondContact ND2-OE2 2.78Å; N35-E38 PolarHBondContact O-N 2.84Å; N35-E38 VanDerWaalsContact O-N 3.09Å; E38-F93 HydrophobicContact CB-CE2 4.02Å; E38-F93 HydrophobicContact CB-CZ 4.47Å; E38-L97 HydrophobicContact CB-CD1 4.13Å; E38-L97 HydrophobicContact CG-CD1 3.98Å; E38-L97 WeakPolarHBondContact OE1-CD1 3.24Å; E38-L97 WeakPolarHBondContact OE1-CG 3.11Å; E38-L97 WeakPolarHBondContact OE2-CD1 3.4Å
39G60Low63.1Low12 Ų1283.7 Ų83.712%0.12444%0.435CS..Hα-helixtrans-74.8-25.1179.400000114.8N35 T43N35-G39 PolarHBondContact O-N 3.27Å; G39-T43 PolarHBondContact O-OG1 3.38Å
40K58.4Low63.4Low93 Ų9384 Ų8440%0.40442%0.422SS..Hα-helixtrans-71.9-29.7-175.5-75.4175.894.384.30113.5F27 Y36 T43 F44F27-K40 HydrophobicContact CE2-CG 4.47Å; Y36-K40 HydrophobicContact CD1-CD 4.45Å; Y36-K40 HydrophobicContact CE1-CD 4.32Å; Y36-K40 WeakPolarHBondContact O-CD 3.48Å; Y36-K40 WeakPolarHBondContact O-CG 3.48Å; K40-T43 WeakPolarHBondContact CA-OG1 3.33Å; K40-T43 PolarHBondContact O-OG1 3.47Å; K40-F44 WeakPolarHBondContact O-CB 3.37Å; K40-F44 PolarHBondContact O-N 2.88Å
41C61.6Low64.1Low89 Ų8984.5 Ų84.560%0.60143%0.431SS*.Hα-helixtrans-67.7-37.5-178.2-122.50000112.6G45C41-G45 PolarHBondContact O-N 3.28Å; C41-G45 VanDerWaalsContact O-N 3.14Å
42I69.5Low65.1Low18 Ų1885.1 Ų85.19%0.09244%0.44CS..Hα-helixtrans-65.8-48.2177.2-74.2154.5000111.4G45 M46 L89 F93I42-G45 PolarHBondContact O-N 3.08Å; I42-M46 PolarHBondContact O-N 3.16Å; I42-M46 VanDerWaalsContact O-N 3.15Å; I42-L89 HydrophobicContact CB-CD2 4.2Å; I42-L89 HydrophobicContact CG1-CD2 4.25Å; I42-L89 HydrophobicContact CG2-CD1 3.79Å; I42-L89 HydrophobicContact CG2-CD2 3.61Å; I42-L89 HydrophobicContact CG2-CG 4.22Å; I42-F93 HydrophobicContact CD1-CB 3.91Å; I42-F93 HydrophobicContact CD1-CD2 3.18Å; I42-F93 HydrophobicContact CD1-CE2 3.73Å; I42-F93 HydrophobicContact CD1-CG 3.63Å; I42-F93 HydrophobicContact CG1-CB 4.38Å; I42-F93 HydrophobicContact CG1-CD2 4.07Å
43T72.8Confident65.9Low8 Ų879.2 Ų79.25%0.04941%0.406CS..Hα-helixtrans-64.8-47.4-179.626.90000109.2F23 F27 G39 K40 G45 M46 L47F23-T43 HydrophobicContact CD2-CG2 3.82Å; F23-T43 HydrophobicContact CE2-CG2 3.43Å; F23-T43 VanDerWaalsContact CE2-CG2 3.43Å; F23-T43 VanDerWaalsContact CE2-O 3.27Å; F23-T43 WeakPolarHBondContact CE2-O 3.49Å; F23-T43 HydrophobicContact CZ-CG2 3.87Å; F27-T43 HydrophobicContact CB-CG2 4.33Å; F27-T43 HydrophobicContact CD2-CG2 4.38Å; G39-T43 PolarHBondContact O-OG1 3.38Å; K40-T43 WeakPolarHBondContact CA-OG1 3.33Å; K40-T43 PolarHBondContact O-OG1 3.47Å; T43-G45 VanDerWaalsContact C-N 3.3Å; T43-G45 PolarHBondContact O-N 3.44Å; T43-M46 PolarHBondContact O-N 2.96Å; T43-M46 VanDerWaalsContact O-N 3.13Å; T43-L47 WeakPolarHBondContact O-CB 3.25Å; T43-L47 PolarHBondContact O-N 3.42Å
44F69.1Low66.9Low144 Ų14478 Ų7863%0.63239%0.394SS*.Hα-helixtrans-55.6-42.4177.5-169-103.6000113.2K40 L47 V48K40-F44 WeakPolarHBondContact O-CB 3.37Å; K40-F44 PolarHBondContact O-N 2.88Å; F44-L47 PolarHBondContact O-N 2.91Å; F44-V48 HydrophobicContact CD1-CG2 4.21Å; F44-V48 HydrophobicContact CE1-CG2 3.9Å; F44-V48 HydrophobicContact CE2-CG2 4.43Å; F44-V48 HydrophobicContact CZ-CG2 4.02Å; F44-V48 WeakPolarHBondContact O-CG2 3.38Å; F44-V48 PolarHBondContact O-N 3.45Å
45G72.1Confident67.7Low42 Ų4274.2 Ų74.243%0.43338%0.38SS..Hα-helixtrans-63.8-42.1176.200000113.9C41 I42 T43 L47 F49C41-G45 PolarHBondContact O-N 3.28Å; C41-G45 VanDerWaalsContact O-N 3.14Å; I42-G45 PolarHBondContact O-N 3.08Å; T43-G45 VanDerWaalsContact C-N 3.3Å; T43-G45 PolarHBondContact O-N 3.44Å; G45-L47 VanDerWaalsContact C-N 3.32Å; G45-L47 PolarHBondContact O-N 3.25Å; G45-F49 WeakPolarHBondContact O-CB 3.3Å; G45-F49 PolarHBondContact O-N 2.97Å; G45-F49 VanDerWaalsContact O-N 3.16Å
46M72.9Confident68.2Low54 Ų5476.2 Ų76.227%0.26639%0.385SS..Hα-helixtrans-63-39.5174.7-77-63.4-155.600111.9I42 T43 F49 F50 L89I42-M46 PolarHBondContact O-N 3.16Å; I42-M46 VanDerWaalsContact O-N 3.15Å; T43-M46 PolarHBondContact O-N 2.96Å; T43-M46 VanDerWaalsContact O-N 3.13Å; M46-F49 PolarHBondContact O-N 3.15Å; M46-F50 VanDerWaalsContact O-CD2 3.26Å; M46-F50 WeakPolarHBondContact O-CD2 3.49Å; M46-F50 PolarHBondContact O-N 3.14Å; M46-F50 VanDerWaalsContact O-N 3.15Å; M46-L89 HydrophobicContact CE-CD1 3.14Å; M46-L89 HydrophobicContact CE-CG 3.8Å; M46-L89 HydrophobicContact CG-CD1 3.93Å; M46-L89 HydrophobicContact CG-CD2 4.39Å; M46-L89 HydrophobicContact SD-CD1 4.23Å
47L72.6Confident68.9Low62 Ų6271.4 Ų71.433%0.32537%0.369SS..Hα-helixtrans-72.1-42.5-176.5-160.1140.5000112.2F23 T43 F44 G45 F49 F50 I51F23-L47 HydrophobicContact CD1-CD1 4.25Å; F23-L47 HydrophobicContact CD2-CB 4.48Å; F23-L47 HydrophobicContact CD2-CD1 4.17Å; F23-L47 HydrophobicContact CE1-CD1 3.8Å; F23-L47 HydrophobicContact CE2-CB 3.99Å; F23-L47 HydrophobicContact CE2-CD1 3.64Å; F23-L47 HydrophobicContact CE2-CG 4.44Å; F23-L47 HydrophobicContact CG-CD1 4.44Å; F23-L47 HydrophobicContact CZ-CD1 3.47Å; F23-L47 VanDerWaalsContact CZ-CD1 3.47Å; T43-L47 WeakPolarHBondContact O-CB 3.25Å; T43-L47 PolarHBondContact O-N 3.42Å; F44-L47 PolarHBondContact O-N 2.91Å; G45-L47 VanDerWaalsContact C-N 3.32Å; G45-L47 PolarHBondContact O-N 3.25Å; L47-F49 VanDerWaalsContact C-N 3.31Å; L47-F49 PolarHBondContact O-N 3.13Å; L47-F50 PolarHBondContact O-N 3.15Å; L47-I51 HydrophobicContact CD2-CD1 3.66Å; L47-I51 HydrophobicContact CD2-CG1 4.46Å; L47-I51 WeakPolarHBondContact O-CG1 3.45Å; L47-I51 PolarHBondContact O-N 2.92Å; L47-I51 VanDerWaalsContact O-N 3.08Å
48V75Confident69.5Low63 Ų6366.2 Ų66.238%0.38236%0.358SS..Hα-helixtrans-62.8-39.7174.7173.10000111F44 F50 I51 V52F44-V48 HydrophobicContact CD1-CG2 4.21Å; F44-V48 HydrophobicContact CE1-CG2 3.9Å; F44-V48 HydrophobicContact CE2-CG2 4.43Å; F44-V48 HydrophobicContact CZ-CG2 4.02Å; F44-V48 WeakPolarHBondContact O-CG2 3.38Å; F44-V48 PolarHBondContact O-N 3.45Å; V48-F50 PolarHBondContact O-N 3.01Å; V48-I51 PolarHBondContact O-N 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.18Å; V48-V52 PolarHBondContact O-N 3.47Å; V48-V52 VanDerWaalsContact O-N 3.08Å
49F72Confident70Confident55 Ų5566 Ų6624%0.24137%0.368CS..Hα-helixtrans-60.9-44.6176.4-176.9-103.4000112.4G45 M46 L47 I51 V52 W53 Y81G45-F49 WeakPolarHBondContact O-CB 3.3Å; G45-F49 PolarHBondContact O-N 2.97Å; G45-F49 VanDerWaalsContact O-N 3.16Å; M46-F49 PolarHBondContact O-N 3.15Å; L47-F49 VanDerWaalsContact C-N 3.31Å; L47-F49 PolarHBondContact O-N 3.13Å; F49-I51 PolarHBondContact O-N 2.9Å; F49-V52 PolarHBondContact O-N 3.35Å; F49-W53 WeakPolarHBondContact O-CB 3.33Å; F49-W53 PolarHBondContact O-N 3.41Å; F49-W53 VanDerWaalsContact O-N 3.08Å; F49-Y81 HydrophobicContact CD1-CD1 4.42Å; F49-Y81 AromaticContact CD2-CD1 3.86Å; F49-Y81 HydrophobicContact CD2-CD1 3.86Å; F49-Y81 AromaticContact CD2-CE1 3.74Å; F49-Y81 HydrophobicContact CD2-CE1 3.74Å; F49-Y81 AromaticContact CE1-CD1 3.74Å; F49-Y81 HydrophobicContact CE1-CD1 3.74Å; F49-Y81 HydrophobicContact CE1-CD2 4.34Å; F49-Y81 HydrophobicContact CE1-CE1 4.45Å; F49-Y81 AromaticContact CE1-CG 3.66Å; F49-Y81 HydrophobicContact CE1-CG 3.66Å; F49-Y81 AromaticContact CE2-CD1 3.12Å; F49-Y81 HydrophobicContact CE2-CD1 3.12Å; F49-Y81 AromaticContact CE2-CD2 3.94Å; F49-Y81 HydrophobicContact CE2-CD2 3.94Å; F49-Y81 AromaticContact CE2-CE1 2.98Å; F49-Y81 HydrophobicContact CE2-CE1 2.98Å; F49-Y81 AromaticContact CE2-CE2 3.83Å; F49-Y81 HydrophobicContact CE2-CE2 3.83Å; F49-Y81 AromaticContact CE2-CG 3.6Å; F49-Y81 HydrophobicContact CE2-CG 3.6Å; F49-Y81 AromaticContact CE2-CZ 3.34Å; F49-Y81 HydrophobicContact CG-CD1 4.48Å; F49-Y81 VanDerWaalsContact CZ-CB 3.49Å; F49-Y81 AromaticContact CZ-CD1 3.05Å; F49-Y81 HydrophobicContact CZ-CD1 3.05Å; F49-Y81 AromaticContact CZ-CD2 3.4Å; F49-Y81 HydrophobicContact CZ-CD2 3.4Å; F49-Y81 AromaticContact CZ-CE1 3.44Å; F49-Y81 HydrophobicContact CZ-CE1 3.44Å; F49-Y81 VanDerWaalsContact CZ-CE1 3.44Å; F49-Y81 AromaticContact CZ-CE2 3.74Å; F49-Y81 HydrophobicContact CZ-CE2 3.74Å; F49-Y81 AromaticContact CZ-CG 3.01Å; F49-Y81 HydrophobicContact CZ-CG 3.01Å; F49-Y81 AromaticContact CZ-CZ 3.74Å
50F72Confident70.2Confident82 Ų8267.8 Ų67.836%0.3637%0.371SS..Hα-helixtrans-62.5-39.2174.9-89.9-71.9000113.1A19 M46 L47 V48 W53 I54A19-F50 HydrophobicContact CB-CD1 3.91Å; A19-F50 HydrophobicContact CB-CD2 4.23Å; A19-F50 HydrophobicContact CB-CE1 3.37Å; A19-F50 HydrophobicContact CB-CE2 3.76Å; A19-F50 HydrophobicContact CB-CG 4.32Å; A19-F50 HydrophobicContact CB-CZ 3.31Å; M46-F50 VanDerWaalsContact O-CD2 3.26Å; M46-F50 WeakPolarHBondContact O-CD2 3.49Å; M46-F50 PolarHBondContact O-N 3.14Å; M46-F50 VanDerWaalsContact O-N 3.15Å; L47-F50 PolarHBondContact O-N 3.15Å; V48-F50 PolarHBondContact O-N 3.01Å; F50-W53 WeakPolarHBondContact O-CB 3.39Å; F50-W53 PolarHBondContact O-N 2.94Å; F50-I54 WeakPolarHBondContact O-CD1 3.35Å; F50-I54 WeakPolarHBondContact O-CG1 3.35Å; F50-I54 PolarHBondContact O-N 3.32Å
51I73.7Confident70.3Confident101 Ų10166.2 Ų66.252%0.51837%0.367SS..Hα-helixtrans-64.9-45.2178.6-68.6170.7000111.4L47 V48 F49 W53 I54 S55L47-I51 HydrophobicContact CD2-CD1 3.66Å; L47-I51 HydrophobicContact CD2-CG1 4.46Å; L47-I51 WeakPolarHBondContact O-CG1 3.45Å; L47-I51 PolarHBondContact O-N 2.92Å; L47-I51 VanDerWaalsContact O-N 3.08Å; V48-I51 PolarHBondContact O-N 3.3Å; F49-I51 PolarHBondContact O-N 2.9Å; I51-W53 VanDerWaalsContact C-N 3.28Å; I51-W53 PolarHBondContact O-N 3.45Å; I51-I54 PolarHBondContact O-N 3.4Å; I51-S55 WeakPolarHBondContact O-CB 3.27Å; I51-S55 PolarHBondContact O-N 3.43Å
52V76.1Confident70.4Confident88 Ų8866.8 Ų66.853%0.53337%0.372SS..Hα-helixtrans-61.1-41.2177.2172.40000110.5V48 F49 S55 F56V48-V52 WeakPolarHBondContact O-CG2 3.18Å; V48-V52 PolarHBondContact O-N 3.47Å; V48-V52 VanDerWaalsContact O-N 3.08Å; F49-V52 PolarHBondContact O-N 3.35Å; V52-S55 PolarHBondContact O-N 2.83Å; V52-F56 PolarHBondContact O-N 3.3Å
53W74.1Confident70Confident42 Ų4270.9 Ų70.916%0.15940%0.398CS..Hα-helixtrans-61.2-46.5176.5-168.2-115.1000112.8F49 F50 I51 F56 F74 L77 A78F49-W53 WeakPolarHBondContact O-CB 3.33Å; F49-W53 PolarHBondContact O-N 3.41Å; F49-W53 VanDerWaalsContact O-N 3.08Å; F50-W53 WeakPolarHBondContact O-CB 3.39Å; F50-W53 PolarHBondContact O-N 2.94Å; I51-W53 VanDerWaalsContact C-N 3.28Å; I51-W53 PolarHBondContact O-N 3.45Å; W53-F56 WeakPolarHBondContact O-CB 3.24Å; W53-F56 PolarHBondContact O-N 3.46Å; W53-F74 HydrophobicContact CD2-CD1 4.25Å; W53-F74 AromaticContact CD2-CE1 3.88Å; W53-F74 HydrophobicContact CD2-CE1 3.88Å; W53-F74 AromaticContact CE2-CD1 3.42Å; W53-F74 VanDerWaalsContact CE2-CD1 3.42Å; W53-F74 AromaticContact CE2-CE1 3.51Å; W53-F74 HydrophobicContact CE3-CE1 4.03Å; W53-F74 HydrophobicContact CH2-CB 4.13Å; W53-F74 AromaticContact CH2-CD1 3.23Å; W53-F74 HydrophobicContact CH2-CD1 3.23Å; W53-F74 HydrophobicContact CH2-CD2 4.28Å; W53-F74 AromaticContact CH2-CE1 3.48Å; W53-F74 HydrophobicContact CH2-CE1 3.48Å; W53-F74 VanDerWaalsContact CH2-CE1 3.48Å; W53-F74 AromaticContact CH2-CG 3.64Å; W53-F74 HydrophobicContact CH2-CG 3.64Å; W53-F74 HydrophobicContact CH2-CZ 4.17Å; W53-F74 HydrophobicContact CZ2-CB 3.96Å; W53-F74 AromaticContact CZ2-CD1 2.9Å; W53-F74 HydrophobicContact CZ2-CD1 2.9Å; W53-F74 AromaticContact CZ2-CE1 3.39Å; W53-F74 HydrophobicContact CZ2-CE1 3.39Å; W53-F74 AromaticContact CZ2-CG 3.64Å; W53-F74 HydrophobicContact CZ2-CG 3.64Å; W53-F74 HydrophobicContact CZ2-CZ 4.47Å; W53-F74 HydrophobicContact CZ3-CD1 4.06Å; W53-F74 AromaticContact CZ3-CE1 3.82Å; W53-F74 HydrophobicContact CZ3-CE1 3.82Å; W53-F74 HydrophobicContact CZ3-CZ 4.28Å; W53-F74 AromaticContact NE1-CD1 3.99Å; W53-L77 HydrophobicContact CH2-CB 3.48Å; W53-L77 VanDerWaalsContact CH2-CB 3.48Å; W53-L77 HydrophobicContact CH2-CD1 3.87Å; W53-L77 HydrophobicContact CH2-CG 4.34Å; W53-L77 HydrophobicContact CZ2-CB 4.41Å; W53-L77 HydrophobicContact CZ3-CB 4Å; W53-L77 HydrophobicContact CZ3-CD1 3.97Å; W53-A78 HydrophobicContact CZ2-CB 4.34Å
54I72.7Confident69Low61 Ų6178.5 Ų78.531%0.31343%0.43SS..Hα-helixtrans-66-39179.4-65.6160.1000111.2F12 V16 F50 I51 F56 V57 P58F12-I54 HydrophobicContact CE1-CG1 4.35Å; V16-I54 HydrophobicContact CB-CD1 4.46Å; V16-I54 HydrophobicContact CG1-CD1 3.96Å; V16-I54 HydrophobicContact CG2-CD1 3.58Å; V16-I54 HydrophobicContact CG2-CG1 3.81Å; F50-I54 WeakPolarHBondContact O-CD1 3.35Å; F50-I54 WeakPolarHBondContact O-CG1 3.35Å; F50-I54 PolarHBondContact O-N 3.32Å; I51-I54 PolarHBondContact O-N 3.4Å; I54-F56 PolarHBondContact O-N 2.96Å; I54-V57 WeakPolarHBondContact O-CB 3.42Å; I54-V57 WeakPolarHBondContact O-CG2 3.26Å; I54-V57 PolarHBondContact O-N 2.91Å; I54-V57 VanDerWaalsContact O-N 3.15Å; I54-P58 WeakPolarHBondContact O-CD 3.4Å
55S74.5Confident68.5Low80 Ų8075 Ų7556%0.55944%0.435SS*.Hα-helixtrans-63.8-26.2177.5-175.50000112.8I51 V52 V57 P58I51-S55 WeakPolarHBondContact O-CB 3.27Å; I51-S55 PolarHBondContact O-N 3.43Å; V52-S55 PolarHBondContact O-N 2.83Å; S55-V57 VanDerWaalsContact C-N 3.3Å; S55-V57 PolarHBondContact O-N 2.9Å; S55-P58 VanDerWaalsContact O-CD 3.28Å; S55-P58 WeakPolarHBondContact O-CD 3.22Å; S55-P58 WeakPolarHBondContact O-CG 3.48Å
56F67.9Low67.8Low123 Ų12382 Ų8254%0.53945%0.453SS..Hα-helixtrans-72.8-21.7177-137.5-90.7000113.2V52 W53 I54 Y60 F74V52-F56 PolarHBondContact O-N 3.3Å; W53-F56 WeakPolarHBondContact O-CB 3.24Å; W53-F56 PolarHBondContact O-N 3.46Å; I54-F56 PolarHBondContact O-N 2.96Å; F56-Y60 VanDerWaalsContact O-CB 3.28Å; F56-Y60 WeakPolarHBondContact O-CB 3.38Å; F56-Y60 PolarHBondContact O-N 2.88Å; F56-F74 HydrophobicContact CB-CZ 4.19Å; F56-F74 HydrophobicContact CD1-CE2 4.2Å; F56-F74 AromaticContact CD1-CZ 3.81Å; F56-F74 HydrophobicContact CD1-CZ 3.81Å; F56-F74 HydrophobicContact CG-CZ 4.39Å
57V70.4Confident67.2Low25 Ų2582 Ų8215%0.15245%0.452CS..Hα-helixtrans-68.3-48.6-178-1760000114F12 I54 S55 A59 Y60 L61F12-V57 HydrophobicContact CD1-CG2 4.16Å; F12-V57 HydrophobicContact CD2-CG1 4.41Å; F12-V57 HydrophobicContact CD2-CG2 4.42Å; F12-V57 HydrophobicContact CE1-CG2 3.4Å; F12-V57 VanDerWaalsContact CE1-CG2 3.4Å; F12-V57 HydrophobicContact CE2-CG1 4.28Å; F12-V57 HydrophobicContact CE2-CG2 3.7Å; F12-V57 HydrophobicContact CZ-CB 4.42Å; F12-V57 HydrophobicContact CZ-CG1 4.48Å; F12-V57 HydrophobicContact CZ-CG2 3.14Å; I54-V57 WeakPolarHBondContact O-CB 3.42Å; I54-V57 WeakPolarHBondContact O-CG2 3.26Å; I54-V57 PolarHBondContact O-N 2.91Å; I54-V57 VanDerWaalsContact O-N 3.15Å; S55-V57 VanDerWaalsContact C-N 3.3Å; S55-V57 PolarHBondContact O-N 2.9Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 2.99Å; V57-Y60 VanDerWaalsContact O-CB 3.3Å; V57-Y60 WeakPolarHBondContact O-CB 3.48Å; V57-Y60 PolarHBondContact O-N 3.32Å; V57-L61 HydrophobicContact CG1-CD1 4.09Å; V57-L61 WeakPolarHBondContact O-CG 3.47Å; V57-L61 PolarHBondContact O-N 3.39Å
58P65.2Low66.8Low82 Ų8287.6 Ų87.653%0.53247%0.474SS..Hα-helixtrans-67.3-33.7176.224-33000112.2I54 S55 Y60 L61 S62I54-P58 WeakPolarHBondContact O-CD 3.4Å; S55-P58 VanDerWaalsContact O-CD 3.28Å; S55-P58 WeakPolarHBondContact O-CD 3.22Å; S55-P58 WeakPolarHBondContact O-CG 3.48Å; P58-Y60 VanDerWaalsContact C-N 3.3Å; P58-L61 PolarHBondContact O-N 2.95Å; P58-S62 PolarHBondContact O-N 3.41Å
59A68.4Low66.6Low62 Ų6288.9 Ų88.951%0.51248%0.482SS..Hα-helixtrans-62.9-40171.100000111.1V57 S62V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 2.99Å; A59-S62 PolarHBondContact O-N 3.33Å
60Y63.7Low66.5Low49 Ų4987.1 Ų87.119%0.19248%0.478CS..Hα-helixtrans-62.8-46.8173.4-169.8-113.5000111.8F56 V57 P58 S62 T63 F67 A70 V71F56-Y60 VanDerWaalsContact O-CB 3.28Å; F56-Y60 WeakPolarHBondContact O-CB 3.38Å; F56-Y60 PolarHBondContact O-N 2.88Å; V57-Y60 VanDerWaalsContact O-CB 3.3Å; V57-Y60 WeakPolarHBondContact O-CB 3.48Å; V57-Y60 PolarHBondContact O-N 3.32Å; P58-Y60 VanDerWaalsContact C-N 3.3Å; Y60-S62 PolarHBondContact O-N 2.79Å; Y60-T63 PolarHBondContact O-N 3.06Å; Y60-F67 HydrophobicContact CD1-CD1 4.29Å; Y60-F67 HydrophobicContact CD1-CG 4.41Å; Y60-F67 HydrophobicContact CD2-CD1 4.03Å; Y60-F67 AromaticContact CD2-CE1 3.99Å; Y60-F67 HydrophobicContact CD2-CE1 3.99Å; Y60-F67 HydrophobicContact CE1-CB 3.62Å; Y60-F67 AromaticContact CE1-CD1 3.69Å; Y60-F67 HydrophobicContact CE1-CD1 3.69Å; Y60-F67 HydrophobicContact CE1-CD2 4.45Å; Y60-F67 HydrophobicContact CE1-CE1 4.39Å; Y60-F67 AromaticContact CE1-CG 3.7Å; Y60-F67 HydrophobicContact CE1-CG 3.7Å; Y60-F67 AromaticContact CE2-CD1 3.3Å; Y60-F67 HydrophobicContact CE2-CD1 3.3Å; Y60-F67 AromaticContact CE2-CE1 3.68Å; Y60-F67 HydrophobicContact CE2-CE1 3.68Å; Y60-F67 HydrophobicContact CE2-CG 4.18Å; Y60-F67 HydrophobicContact CG-CD1 4.45Å; Y60-F67 HydrophobicContact CG-CE1 4.41Å; Y60-F67 AromaticContact CZ-CD1 3.15Å; Y60-F67 AromaticContact CZ-CE1 3.95Å; Y60-F67 AromaticContact CZ-CG 3.57Å; Y60-F67 VanDerWaalsContact O-CE1 3.26Å; Y60-F67 WeakPolarHBondContact O-CE1 3.18Å; Y60-F67 WeakPolarHBondContact O-CE2 3.32Å; Y60-F67 WeakPolarHBondContact O-CZ 3.14Å; Y60-F67 WeakPolarHBondContact OH-CA 3.47Å; Y60-F67 WeakPolarHBondContact OH-CB 3.42Å; Y60-F67 VanDerWaalsContact OH-CD1 3.31Å; Y60-F67 WeakPolarHBondContact OH-CD1 3.25Å; Y60-F67 PolarHBondContact OH-O 3.45Å; Y60-A70 HydrophobicContact CD2-CB 4.16Å; Y60-A70 HydrophobicContact CE1-CB 4.47Å; Y60-A70 HydrophobicContact CE2-CB 3.08Å; Y60-A70 WeakPolarHBondContact OH-CA 3.31Å; Y60-A70 WeakPolarHBondContact OH-CB 3.17Å; Y60-A70 PolarHBondContact OH-N 3.08Å; Y60-V71 PolarHBondContact OH-N 3.11Å
61L61Low66.4Low61 Ų6187.5 Ų87.532%0.31949%0.486SS..Hα-helixtrans-65.6-19.5-179.3-74.5162.8000114.7V57 P58 T63 K64V57-L61 HydrophobicContact CG1-CD1 4.09Å; V57-L61 WeakPolarHBondContact O-CG 3.47Å; V57-L61 PolarHBondContact O-N 3.39Å; P58-L61 PolarHBondContact O-N 2.95Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 3.44Å; L61-K64 VanDerWaalsContact O-CG 3.22Å; L61-K64 WeakPolarHBondContact O-CG 3.15Å
62S61.8Low66.2Low101 Ų10188.7 Ų88.771%0.70649%0.49SS*.Hα-helixtrans-67.9-27.1-179.4-159.60000113.1P58 A59 Y60 K64P58-S62 PolarHBondContact O-N 3.41Å; A59-S62 PolarHBondContact O-N 3.33Å; Y60-S62 PolarHBondContact O-N 2.79Å; S62-K64 PolarHBondContact O-N 2.79Å
63T61.6Low66.3Low103 Ų10388.4 Ų88.463%0.63248%0.484SS*.SBendtrans-95.345-172.9-43.30000113Y60 L61 G65 F67Y60-T63 PolarHBondContact O-N 3.06Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 3.44Å; T63-G65 PolarHBondContact O-N 3.28Å; T63-F67 VanDerWaalsContact C-CE2 3.49Å; T63-F67 WeakPolarHBondContact O-CE1 3.39Å; T63-F67 VanDerWaalsContact O-CE2 3.24Å; T63-F67 WeakPolarHBondContact O-CE2 3.46Å; T63-F67 WeakPolarHBondContact O-CZ 3.27Å
64K53.1Low66.2Low168 Ų16887.7 Ų87.773%0.7348%0.482SS*.THydrogen-bonded Turntrans-46.4117-165.1-65.6-174.5-178.91760115.6L61 S62 F67L61-K64 VanDerWaalsContact O-CG 3.22Å; L61-K64 WeakPolarHBondContact O-CG 3.15Å; S62-K64 PolarHBondContact O-N 2.79Å; K64-F67 VanDerWaalsContact CA-CE2 3.44Å
65G58.3Low66.2Low71 Ų7187.7 Ų87.773%0.73249%0.492SS*.THydrogen-bonded Turntrans149.8-29.2157.700000117.7T63T63-G65 PolarHBondContact O-N 3.28Å
66K56.2Low66.6Low188 Ų18889.3 Ų89.382%0.81749%0.493SS*.  trans-112.417.8-164.5-67.8176.9172.5168.30115.4K68K66-K68 PolarHBondContact O-N 2.8Å
67F60.7Low67.1Low54 Ų5486.2 Ų86.224%0.23748%0.482CS..THydrogen-bonded Turntrans-88.57.1-153.9-64.9-46.1000118.1Y60 T63 K64 V69 V71Y60-F67 HydrophobicContact CD1-CD1 4.29Å; Y60-F67 HydrophobicContact CD1-CG 4.41Å; Y60-F67 HydrophobicContact CD2-CD1 4.03Å; Y60-F67 AromaticContact CD2-CE1 3.99Å; Y60-F67 HydrophobicContact CD2-CE1 3.99Å; Y60-F67 HydrophobicContact CE1-CB 3.62Å; Y60-F67 AromaticContact CE1-CD1 3.69Å; Y60-F67 HydrophobicContact CE1-CD1 3.69Å; Y60-F67 HydrophobicContact CE1-CD2 4.45Å; Y60-F67 HydrophobicContact CE1-CE1 4.39Å; Y60-F67 AromaticContact CE1-CG 3.7Å; Y60-F67 HydrophobicContact CE1-CG 3.7Å; Y60-F67 AromaticContact CE2-CD1 3.3Å; Y60-F67 HydrophobicContact CE2-CD1 3.3Å; Y60-F67 AromaticContact CE2-CE1 3.68Å; Y60-F67 HydrophobicContact CE2-CE1 3.68Å; Y60-F67 HydrophobicContact CE2-CG 4.18Å; Y60-F67 HydrophobicContact CG-CD1 4.45Å; Y60-F67 HydrophobicContact CG-CE1 4.41Å; Y60-F67 AromaticContact CZ-CD1 3.15Å; Y60-F67 AromaticContact CZ-CE1 3.95Å; Y60-F67 AromaticContact CZ-CG 3.57Å; Y60-F67 VanDerWaalsContact O-CE1 3.26Å; Y60-F67 WeakPolarHBondContact O-CE1 3.18Å; Y60-F67 WeakPolarHBondContact O-CE2 3.32Å; Y60-F67 WeakPolarHBondContact O-CZ 3.14Å; Y60-F67 WeakPolarHBondContact OH-CA 3.47Å; Y60-F67 WeakPolarHBondContact OH-CB 3.42Å; Y60-F67 VanDerWaalsContact OH-CD1 3.31Å; Y60-F67 WeakPolarHBondContact OH-CD1 3.25Å; Y60-F67 PolarHBondContact OH-O 3.45Å; T63-F67 VanDerWaalsContact C-CE2 3.49Å; T63-F67 WeakPolarHBondContact O-CE1 3.39Å; T63-F67 VanDerWaalsContact O-CE2 3.24Å; T63-F67 WeakPolarHBondContact O-CE2 3.46Å; T63-F67 WeakPolarHBondContact O-CZ 3.27Å; K64-F67 VanDerWaalsContact CA-CE2 3.44Å; F67-V69 PolarHBondContact O-N 2.77Å; F67-V71 PolarHBondContact O-N 2.94Å
68K65.1Low67.3Low180 Ų18087.6 Ų87.678%0.78350%0.495SS*.Hα-helixtrans-61.4-40.8170.5-162.1-170.7-178.2-167.60110.5K66 A70 V71 E72K66-K68 PolarHBondContact O-N 2.8Å; K68-A70 PolarHBondContact O-N 2.97Å; K68-V71 WeakPolarHBondContact O-CG1 3.34Å; K68-V71 PolarHBondContact O-N 2.93Å; K68-E72 PolarHBondContact O-N 3.35Å
69V70.8Confident68Low90 Ų9087.9 Ų87.955%0.54550%0.499SS..Hα-helixtrans-62.7-45-178.9169.60000111.8F67 E72 I73F67-V69 PolarHBondContact O-N 2.77Å; V69-E72 VanDerWaalsContact O-CB 3.23Å; V69-E72 WeakPolarHBondContact O-CB 2.82Å; V69-E72 PolarHBondContact O-N 3.33Å; V69-I73 HydrophobicContact CG1-CD1 3.77Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CG1 3.49Å; V69-I73 PolarHBondContact O-N 2.97Å; V69-I73 VanDerWaalsContact O-N 3.07Å
70A70.1Confident68.5Low19 Ų1987.5 Ų87.516%0.15749%0.493CS..Hα-helixtrans-84.4-12.2-177.800000114.3Y60 K68 E72 I73 F74Y60-A70 HydrophobicContact CD2-CB 4.16Å; Y60-A70 HydrophobicContact CE1-CB 4.47Å; Y60-A70 HydrophobicContact CE2-CB 3.08Å; Y60-A70 WeakPolarHBondContact OH-CA 3.31Å; Y60-A70 WeakPolarHBondContact OH-CB 3.17Å; Y60-A70 PolarHBondContact OH-N 3.08Å; K68-A70 PolarHBondContact O-N 2.97Å; A70-E72 PolarHBondContact O-N 2.83Å; A70-I73 HydrophobicContact CB-CD1 4.21Å; A70-F74 VanDerWaalsContact O-CB 3.24Å; A70-F74 WeakPolarHBondContact O-CB 3.1Å; A70-F74 WeakPolarHBondContact O-CD2 3.16Å; A70-F74 PolarHBondContact O-N 2.8Å
71V68.7Low69.1Low89 Ų8990 Ų9054%0.53950%0.503SS..Hα-helixtrans-64-35.6162.1102.30000110.8Y60 F67 K68 F74 A75Y60-V71 PolarHBondContact OH-N 3.11Å; F67-V71 PolarHBondContact O-N 2.94Å; K68-V71 WeakPolarHBondContact O-CG1 3.34Å; K68-V71 PolarHBondContact O-N 2.93Å; V71-F74 PolarHBondContact O-N 3.09Å; V71-A75 PolarHBondContact O-N 3.5Å
72E70.1Confident69.5Low127 Ų12789 Ų8959%0.59351%0.507SS*.Hα-helixtrans-69.9-45.1178.5-153.3171.7-167.700111.1K68 V69 A70 F74 A75 I76K68-E72 PolarHBondContact O-N 3.35Å; V69-E72 VanDerWaalsContact O-CB 3.23Å; V69-E72 WeakPolarHBondContact O-CB 2.82Å; V69-E72 PolarHBondContact O-N 3.33Å; A70-E72 PolarHBondContact O-N 2.83Å; E72-F74 VanDerWaalsContact C-N 3.31Å; E72-F74 PolarHBondContact O-N 3Å; E72-A75 WeakPolarHBondContact O-CB 3.36Å; E72-A75 PolarHBondContact O-N 3.15Å; E72-A75 VanDerWaalsContact O-N 3.16Å; E72-I76 WeakPolarHBondContact O-CG1 3.41Å; E72-I76 PolarHBondContact O-N 3.27Å; E72-I76 VanDerWaalsContact O-N 3.08Å
73I78.4Confident70.1Confident82 Ų8290 Ų9042%0.42150%0.504SS..Hα-helixtrans-62.1-41173.5-60.3162.5000110.5V69 A70 A75 I76 L77V69-I73 HydrophobicContact CG1-CD1 3.77Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CG1 3.49Å; V69-I73 PolarHBondContact O-N 2.97Å; V69-I73 VanDerWaalsContact O-N 3.07Å; A70-I73 HydrophobicContact CB-CD1 4.21Å; I73-A75 VanDerWaalsContact C-N 3.31Å; I73-A75 PolarHBondContact O-N 2.9Å; I73-I76 PolarHBondContact O-N 2.89Å; I73-L77 HydrophobicContact CG2-CD1 3.79Å; I73-L77 HydrophobicContact CG2-CG 4.22Å; I73-L77 WeakPolarHBondContact O-CB 3.4Å; I73-L77 VanDerWaalsContact O-CG 3.24Å; I73-L77 WeakPolarHBondContact O-CG 3.29Å; I73-L77 PolarHBondContact O-N 3.36Å
74F72.1Confident70.7Confident27 Ų2789.4 Ų89.412%0.11850%0.497CS..Hα-helixtrans-62.9-37.2175.5-94.7-110.5000112.2W53 F56 A70 V71 E72 L77 A78W53-F74 HydrophobicContact CD2-CD1 4.25Å; W53-F74 AromaticContact CD2-CE1 3.88Å; W53-F74 HydrophobicContact CD2-CE1 3.88Å; W53-F74 AromaticContact CE2-CD1 3.42Å; W53-F74 VanDerWaalsContact CE2-CD1 3.42Å; W53-F74 AromaticContact CE2-CE1 3.51Å; W53-F74 HydrophobicContact CE3-CE1 4.03Å; W53-F74 HydrophobicContact CH2-CB 4.13Å; W53-F74 AromaticContact CH2-CD1 3.23Å; W53-F74 HydrophobicContact CH2-CD1 3.23Å; W53-F74 HydrophobicContact CH2-CD2 4.28Å; W53-F74 AromaticContact CH2-CE1 3.48Å; W53-F74 HydrophobicContact CH2-CE1 3.48Å; W53-F74 VanDerWaalsContact CH2-CE1 3.48Å; W53-F74 AromaticContact CH2-CG 3.64Å; W53-F74 HydrophobicContact CH2-CG 3.64Å; W53-F74 HydrophobicContact CH2-CZ 4.17Å; W53-F74 HydrophobicContact CZ2-CB 3.96Å; W53-F74 AromaticContact CZ2-CD1 2.9Å; W53-F74 HydrophobicContact CZ2-CD1 2.9Å; W53-F74 AromaticContact CZ2-CE1 3.39Å; W53-F74 HydrophobicContact CZ2-CE1 3.39Å; W53-F74 AromaticContact CZ2-CG 3.64Å; W53-F74 HydrophobicContact CZ2-CG 3.64Å; W53-F74 HydrophobicContact CZ2-CZ 4.47Å; W53-F74 HydrophobicContact CZ3-CD1 4.06Å; W53-F74 AromaticContact CZ3-CE1 3.82Å; W53-F74 HydrophobicContact CZ3-CE1 3.82Å; W53-F74 HydrophobicContact CZ3-CZ 4.28Å; W53-F74 AromaticContact NE1-CD1 3.99Å; F56-F74 HydrophobicContact CB-CZ 4.19Å; F56-F74 HydrophobicContact CD1-CE2 4.2Å; F56-F74 AromaticContact CD1-CZ 3.81Å; F56-F74 HydrophobicContact CD1-CZ 3.81Å; F56-F74 HydrophobicContact CG-CZ 4.39Å; A70-F74 VanDerWaalsContact O-CB 3.24Å; A70-F74 WeakPolarHBondContact O-CB 3.1Å; A70-F74 WeakPolarHBondContact O-CD2 3.16Å; A70-F74 PolarHBondContact O-N 2.8Å; V71-F74 PolarHBondContact O-N 3.09Å; E72-F74 VanDerWaalsContact C-N 3.31Å; E72-F74 PolarHBondContact O-N 3Å; F74-L77 PolarHBondContact O-N 2.93Å; F74-A78 WeakPolarHBondContact O-CB 3.44Å; F74-A78 PolarHBondContact O-N 3.35Å
75A71.4Confident71.6Confident61 Ų6182.1 Ų82.150%0.50447%0.469SS..Hα-helixtrans-65.3-41.9175.800000111.8V71 E72 I73 A78 S79V71-A75 PolarHBondContact O-N 3.5Å; E72-A75 WeakPolarHBondContact O-CB 3.36Å; E72-A75 PolarHBondContact O-N 3.15Å; E72-A75 VanDerWaalsContact O-N 3.16Å; I73-A75 VanDerWaalsContact C-N 3.31Å; I73-A75 PolarHBondContact O-N 2.9Å; A75-A78 PolarHBondContact O-N 3.42Å; A75-S79 WeakPolarHBondContact O-CB 3.41Å; A75-S79 PolarHBondContact O-N 2.98Å
76I83Confident72Confident113 Ų11383.1 Ų83.158%0.57946%0.464SS*.Hα-helixtrans-64.7-45.1176.1-63.2165.1000110.7E72 I73 S79 S80E72-I76 WeakPolarHBondContact O-CG1 3.41Å; E72-I76 PolarHBondContact O-N 3.27Å; E72-I76 VanDerWaalsContact O-N 3.08Å; I73-I76 PolarHBondContact O-N 2.89Å; I76-S79 PolarHBondContact O-N 2.84Å; I76-S80 WeakPolarHBondContact O-CB 3.27Å; I76-S80 PolarHBondContact O-N 3.38Å; I76-S80 PolarHBondContact O-OG 3.43Å
77L78.6Confident72.8Confident59 Ų5977.6 Ų77.631%0.30945%0.446SS..Hα-helixtrans-64.2-46.7177-72.7172.7000111.2W53 I73 F74 S79 S80 Y81W53-L77 HydrophobicContact CH2-CB 3.48Å; W53-L77 VanDerWaalsContact CH2-CB 3.48Å; W53-L77 HydrophobicContact CH2-CD1 3.87Å; W53-L77 HydrophobicContact CH2-CG 4.34Å; W53-L77 HydrophobicContact CZ2-CB 4.41Å; W53-L77 HydrophobicContact CZ3-CB 4Å; W53-L77 HydrophobicContact CZ3-CD1 3.97Å; I73-L77 HydrophobicContact CG2-CD1 3.79Å; I73-L77 HydrophobicContact CG2-CG 4.22Å; I73-L77 WeakPolarHBondContact O-CB 3.4Å; I73-L77 VanDerWaalsContact O-CG 3.24Å; I73-L77 WeakPolarHBondContact O-CG 3.29Å; I73-L77 PolarHBondContact O-N 3.36Å; F74-L77 PolarHBondContact O-N 2.93Å; L77-S79 VanDerWaalsContact C-N 3.31Å; L77-S79 PolarHBondContact O-N 3.48Å; L77-S80 WeakPolarHBondContact CA-OG 3.19Å; L77-S80 PolarHBondContact O-N 2.84Å; L77-S80 PolarHBondContact O-OG 2.82Å; L77-Y81 HydrophobicContact CB-CD2 4.42Å; L77-Y81 HydrophobicContact CD2-CE2 4.25Å; L77-Y81 WeakPolarHBondContact O-CB 3.27Å; L77-Y81 VanDerWaalsContact O-CD2 3.3Å; L77-Y81 WeakPolarHBondContact O-CD2 3.4Å; L77-Y81 PolarHBondContact O-N 3.49Å
78A74.4Confident73.1Confident53 Ų5380.4 Ų80.444%0.43846%0.458SS..Hα-helixtrans-60.3-41.5177.500000111.9W53 F74 A75 G82W53-A78 HydrophobicContact CZ2-CB 4.34Å; F74-A78 WeakPolarHBondContact O-CB 3.44Å; F74-A78 PolarHBondContact O-N 3.35Å; A75-A78 PolarHBondContact O-N 3.42Å; A78-G82 PolarHBondContact O-N 3.48Å
79S80.1Confident73Confident89 Ų8974.1 Ų74.162%0.62243%0.433SS*.Hα-helixtrans-65.7-45.2176.7-171.20000112A75 I76 L77 L83A75-S79 WeakPolarHBondContact O-CB 3.41Å; A75-S79 PolarHBondContact O-N 2.98Å; I76-S79 PolarHBondContact O-N 2.84Å; L77-S79 VanDerWaalsContact C-N 3.31Å; L77-S79 PolarHBondContact O-N 3.48Å; S79-L83 PolarHBondContact O-N 3Å; S79-L83 VanDerWaalsContact O-N 3.08Å
80S80Confident72.5Confident54 Ų5472.7 Ų72.738%0.37843%0.426SS..Hα-helixtrans-69.1-4217954.30000112.7I76 L77 L83 L84I76-S80 WeakPolarHBondContact O-CB 3.27Å; I76-S80 PolarHBondContact O-N 3.38Å; I76-S80 PolarHBondContact O-OG 3.43Å; L77-S80 WeakPolarHBondContact CA-OG 3.19Å; L77-S80 PolarHBondContact O-N 2.84Å; L77-S80 PolarHBondContact O-OG 2.82Å; S80-L83 PolarHBondContact O-N 2.98Å; S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 PolarHBondContact O-N 3.31Å
81Y75.1Confident72.1Confident100 Ų10078.3 Ų78.339%0.39245%0.447SS..Hα-helixtrans-69.1-33.3176-87.1-77.6000113.2F49 L77 G85F49-Y81 HydrophobicContact CD1-CD1 4.42Å; F49-Y81 AromaticContact CD2-CD1 3.86Å; F49-Y81 HydrophobicContact CD2-CD1 3.86Å; F49-Y81 AromaticContact CD2-CE1 3.74Å; F49-Y81 HydrophobicContact CD2-CE1 3.74Å; F49-Y81 AromaticContact CE1-CD1 3.74Å; F49-Y81 HydrophobicContact CE1-CD1 3.74Å; F49-Y81 HydrophobicContact CE1-CD2 4.34Å; F49-Y81 HydrophobicContact CE1-CE1 4.45Å; F49-Y81 AromaticContact CE1-CG 3.66Å; F49-Y81 HydrophobicContact CE1-CG 3.66Å; F49-Y81 AromaticContact CE2-CD1 3.12Å; F49-Y81 HydrophobicContact CE2-CD1 3.12Å; F49-Y81 AromaticContact CE2-CD2 3.94Å; F49-Y81 HydrophobicContact CE2-CD2 3.94Å; F49-Y81 AromaticContact CE2-CE1 2.98Å; F49-Y81 HydrophobicContact CE2-CE1 2.98Å; F49-Y81 AromaticContact CE2-CE2 3.83Å; F49-Y81 HydrophobicContact CE2-CE2 3.83Å; F49-Y81 AromaticContact CE2-CG 3.6Å; F49-Y81 HydrophobicContact CE2-CG 3.6Å; F49-Y81 AromaticContact CE2-CZ 3.34Å; F49-Y81 HydrophobicContact CG-CD1 4.48Å; F49-Y81 VanDerWaalsContact CZ-CB 3.49Å; F49-Y81 AromaticContact CZ-CD1 3.05Å; F49-Y81 HydrophobicContact CZ-CD1 3.05Å; F49-Y81 AromaticContact CZ-CD2 3.4Å; F49-Y81 HydrophobicContact CZ-CD2 3.4Å; F49-Y81 AromaticContact CZ-CE1 3.44Å; F49-Y81 HydrophobicContact CZ-CE1 3.44Å; F49-Y81 VanDerWaalsContact CZ-CE1 3.44Å; F49-Y81 AromaticContact CZ-CE2 3.74Å; F49-Y81 HydrophobicContact CZ-CE2 3.74Å; F49-Y81 AromaticContact CZ-CG 3.01Å; F49-Y81 HydrophobicContact CZ-CG 3.01Å; F49-Y81 AromaticContact CZ-CZ 3.74Å; L77-Y81 HydrophobicContact CB-CD2 4.42Å; L77-Y81 HydrophobicContact CD2-CE2 4.25Å; L77-Y81 WeakPolarHBondContact O-CB 3.27Å; L77-Y81 VanDerWaalsContact O-CD2 3.3Å; L77-Y81 WeakPolarHBondContact O-CD2 3.4Å; L77-Y81 PolarHBondContact O-N 3.49Å; Y81-G85 WeakPolarHBondContact O-CA 3.44Å; Y81-G85 PolarHBondContact O-N 3.45Å
82G71Confident71.7Confident41 Ų4177.4 Ų77.442%0.42344%0.443SS..Hα-helixtrans-62.2-46170.800000111.8A78 C86A78-G82 PolarHBondContact O-N 3.48Å; G82-C86 VanDerWaalsContact O-CB 3.32Å; G82-C86 WeakPolarHBondContact O-CB 3.16Å; G82-C86 PolarHBondContact O-N 3.2Å
83L73.2Confident71.3Confident122 Ų12273.6 Ų73.664%0.63943%0.425SS*.Hα-helixtrans-68.3-44.3177.5-170.171.5000112S79 S80 C86 V87S79-L83 PolarHBondContact O-N 3Å; S79-L83 VanDerWaalsContact O-N 3.08Å; S80-L83 PolarHBondContact O-N 2.98Å; L83-C86 PolarHBondContact O-N 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 2.81Å
84L74.5Confident70.8Confident90 Ų9074.6 Ų74.647%0.47143%0.43SS..Hα-helixtrans-63.8-45.9179.1-158.874.3000110S80 V87 F88S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 PolarHBondContact O-N 3.31Å; L84-V87 PolarHBondContact O-N 2.78Å; L84-F88 HydrophobicContact CD1-CD2 3.51Å; L84-F88 HydrophobicContact CD1-CE2 3.23Å; L84-F88 HydrophobicContact CD1-CZ 4.18Å; L84-F88 HydrophobicContact CG-CD2 3.66Å; L84-F88 HydrophobicContact CG-CE2 3.9Å; L84-F88 HydrophobicContact CG-CG 4.46Å; L84-F88 WeakPolarHBondContact O-CB 3.32Å; L84-F88 VanDerWaalsContact O-CD2 3.32Å; L84-F88 WeakPolarHBondContact O-CD2 3.39Å; L84-F88 PolarHBondContact O-N 2.99Å
85G72.5Confident70.6Confident15 Ų1578.9 Ų78.916%0.15545%0.453CS..Hα-helixtrans-57.2-51.1171.700000111.9Y81 V87 L89Y81-G85 WeakPolarHBondContact O-CA 3.44Å; Y81-G85 PolarHBondContact O-N 3.45Å; G85-V87 VanDerWaalsContact C-N 3.29Å; G85-V87 PolarHBondContact O-N 3.42Å; G85-L89 WeakPolarHBondContact O-CB 3.35Å; G85-L89 WeakPolarHBondContact O-CG 3.04Å; G85-L89 PolarHBondContact O-N 3.22Å
86C66.7Low70.1Confident93 Ų9381.8 Ų81.863%0.62846%0.459SS*.Hα-helixtrans-58.8-34.6179.2-92.10000114.2G82 L83 P90G82-C86 VanDerWaalsContact O-CB 3.32Å; G82-C86 WeakPolarHBondContact O-CB 3.16Å; G82-C86 PolarHBondContact O-N 3.2Å; L83-C86 PolarHBondContact O-N 3.26Å; C86-P90 WeakPolarHBondContact O-CD 3.43Å; C86-P90 VanDerWaalsContact O-CG 3.32Å; C86-P90 WeakPolarHBondContact O-CG 3.49Å
87V72.5Confident68.9Low71 Ų7179.7 Ų79.743%0.4345%0.449SS..Hα-helixtrans-91.8-36-177.51780000112.5L83 L84 G85 P90L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 2.81Å; L84-V87 PolarHBondContact O-N 2.78Å; G85-V87 VanDerWaalsContact C-N 3.29Å; G85-V87 PolarHBondContact O-N 3.42Å; V87-P90 WeakPolarHBondContact O-CD 3.31Å; V87-P90 WeakPolarHBondContact O-CG 3.42Å
88F66.5Low67.6Low114 Ų11487.3 Ų87.350%0.547%0.474SS..Hα-helixtrans-80.9-32.4-179.1-83-100.9000112.8L84 K91 C92L84-F88 HydrophobicContact CD1-CD2 3.51Å; L84-F88 HydrophobicContact CD1-CE2 3.23Å; L84-F88 HydrophobicContact CD1-CZ 4.18Å; L84-F88 HydrophobicContact CG-CD2 3.66Å; L84-F88 HydrophobicContact CG-CE2 3.9Å; L84-F88 HydrophobicContact CG-CG 4.46Å; L84-F88 WeakPolarHBondContact O-CB 3.32Å; L84-F88 VanDerWaalsContact O-CD2 3.32Å; L84-F88 WeakPolarHBondContact O-CD2 3.39Å; L84-F88 PolarHBondContact O-N 2.99Å; F88-K91 PolarHBondContact O-N 2.78Å; F88-C92 VanDerWaalsContact O-CB 3.25Å; F88-C92 WeakPolarHBondContact O-CB 3.47Å; F88-C92 PolarHBondContact O-N 3.45Å; F88-C92 PolarHBondContact O-SG 2.83Å
89L63.5Low66.6Low48 Ų4887.7 Ų87.725%0.25147%0.472SS..Hα-helixtrans-53.8-50.6174.7-78.7-171.9000113.4I42 M46 G85 F93I42-L89 HydrophobicContact CB-CD2 4.2Å; I42-L89 HydrophobicContact CG1-CD2 4.25Å; I42-L89 HydrophobicContact CG2-CD1 3.79Å; I42-L89 HydrophobicContact CG2-CD2 3.61Å; I42-L89 HydrophobicContact CG2-CG 4.22Å; M46-L89 HydrophobicContact CE-CD1 3.14Å; M46-L89 HydrophobicContact CE-CG 3.8Å; M46-L89 HydrophobicContact CG-CD1 3.93Å; M46-L89 HydrophobicContact CG-CD2 4.39Å; M46-L89 HydrophobicContact SD-CD1 4.23Å; G85-L89 WeakPolarHBondContact O-CB 3.35Å; G85-L89 WeakPolarHBondContact O-CG 3.04Å; G85-L89 PolarHBondContact O-N 3.22Å; L89-F93 WeakPolarHBondContact O-CB 3.43Å; L89-F93 PolarHBondContact O-N 3.14Å; L89-F93 VanDerWaalsContact O-N 3.11Å
90P59.8Low65.3Low60 Ų6093 Ų9339%0.3948%0.483SS..Hα-helixtrans-69.4-38.9177.824.9-32.7000112.1C86 V87 I94C86-P90 WeakPolarHBondContact O-CD 3.43Å; C86-P90 VanDerWaalsContact O-CG 3.32Å; C86-P90 WeakPolarHBondContact O-CG 3.49Å; V87-P90 WeakPolarHBondContact O-CD 3.31Å; V87-P90 WeakPolarHBondContact O-CG 3.42Å; P90-I94 WeakPolarHBondContact O-CB 3.06Å; P90-I94 VanDerWaalsContact O-CD1 3.31Å; P90-I94 WeakPolarHBondContact O-CD1 3.32Å; P90-I94 WeakPolarHBondContact O-CG1 3.24Å; P90-I94 PolarHBondContact O-N 2.75Å
91K62.7Low64Low137 Ų137100.4 Ų100.460%0.59650%0.503SS*.Hα-helixtrans-69.1-47.4-179.1-91.6-155.6168.1114.20113.5F88 F93 I94 I95F88-K91 PolarHBondContact O-N 2.78Å; K91-F93 VanDerWaalsContact C-N 3.32Å; K91-I94 PolarHBondContact O-N 3.33Å; K91-I95 WeakPolarHBondContact O-CB 3.19Å; K91-I95 WeakPolarHBondContact O-CD1 3.31Å; K91-I95 VanDerWaalsContact O-CG1 3.27Å; K91-I95 WeakPolarHBondContact O-CG1 3.48Å; K91-I95 PolarHBondContact O-N 2.92Å
92C60.7Low62.9Low70 Ų70100.8 Ų100.847%0.47351%0.512SS..Hα-helixtrans-65.9-37.4176.5-68.10000111.2F88 I95 L96F88-C92 VanDerWaalsContact O-CB 3.25Å; F88-C92 WeakPolarHBondContact O-CB 3.47Å; F88-C92 PolarHBondContact O-N 3.45Å; F88-C92 PolarHBondContact O-SG 2.83Å; C92-I95 PolarHBondContact O-N 3.37Å; C92-L96 WeakPolarHBondContact O-CB 3.25Å; C92-L96 PolarHBondContact O-N 2.81Å
93F60.6Low62.1Low46 Ų46104 Ų10420%0.20252%0.524CS..Hα-helixtrans-63.5-45.7175.6-179.7-106.2000112.5R30 E38 I42 L89 K91 I95 L96 L97R30-F93 VanDerWaalsContact NH1-CZ 3.31Å; E38-F93 HydrophobicContact CB-CE2 4.02Å; E38-F93 HydrophobicContact CB-CZ 4.47Å; I42-F93 HydrophobicContact CD1-CB 3.91Å; I42-F93 HydrophobicContact CD1-CD2 3.18Å; I42-F93 HydrophobicContact CD1-CE2 3.73Å; I42-F93 HydrophobicContact CD1-CG 3.63Å; I42-F93 HydrophobicContact CG1-CB 4.38Å; I42-F93 HydrophobicContact CG1-CD2 4.07Å; L89-F93 WeakPolarHBondContact O-CB 3.43Å; L89-F93 PolarHBondContact O-N 3.14Å; L89-F93 VanDerWaalsContact O-N 3.11Å; K91-F93 VanDerWaalsContact C-N 3.32Å; F93-I95 PolarHBondContact O-N 3.34Å; F93-L96 PolarHBondContact O-N 2.83Å; F93-L97 HydrophobicContact CD1-CD1 4.37Å; F93-L97 HydrophobicContact CD2-CD1 3.91Å; F93-L97 HydrophobicContact CE1-CD1 3.94Å; F93-L97 HydrophobicContact CE1-CD2 3.94Å; F93-L97 HydrophobicContact CE2-CD1 3.45Å; F93-L97 VanDerWaalsContact CE2-CD1 3.45Å; F93-L97 HydrophobicContact CG-CD1 4.36Å; F93-L97 HydrophobicContact CZ-CD1 3.45Å; F93-L97 VanDerWaalsContact CZ-CD1 3.45Å; F93-L97 HydrophobicContact CZ-CD2 4.04Å; F93-L97 HydrophobicContact CZ-CG 4.41Å; F93-L97 WeakPolarHBondContact O-CB 3.31Å; F93-L97 PolarHBondContact O-N 3.45Å
94I67.8Low61.1Low104 Ų104105.7 Ų105.753%0.53353%0.533SS..Hα-helixtrans-64.3-41.2178.4-69.5163.8000111.3P90 K91 R98P90-I94 WeakPolarHBondContact O-CB 3.06Å; P90-I94 VanDerWaalsContact O-CD1 3.31Å; P90-I94 WeakPolarHBondContact O-CD1 3.32Å; P90-I94 WeakPolarHBondContact O-CG1 3.24Å; P90-I94 PolarHBondContact O-N 2.75Å; K91-I94 PolarHBondContact O-N 3.33Å; I94-R98 PolarHBondContact O-N 3.49Å
95I67.8Low60.1Low116 Ų116107.9 Ų107.960%0.59554%0.541SS*.Hα-helixtrans-68.1-37.2177.8-69.5165.1000111.2K91 C92 F93 R98 P99K91-I95 WeakPolarHBondContact O-CB 3.19Å; K91-I95 WeakPolarHBondContact O-CD1 3.31Å; K91-I95 VanDerWaalsContact O-CG1 3.27Å; K91-I95 WeakPolarHBondContact O-CG1 3.48Å; K91-I95 PolarHBondContact O-N 2.92Å; C92-I95 PolarHBondContact O-N 3.37Å; F93-I95 PolarHBondContact O-N 3.34Å; I95-R98 CarbonylContact O-C 3.47Å; I95-R98 PolarHBondContact O-N 2.88Å; I95-P99 WeakPolarHBondContact O-CD 3.3Å; I95-P99 WeakPolarHBondContact O-CG 3.07Å
96L61.4Low59.2Low122 Ų122112.3 Ų112.364%0.63957%0.565SS**Hα-helixtrans-84.7-15.1-179.9-152.8108.7000114.3C92 F93 P99C92-L96 WeakPolarHBondContact O-CB 3.25Å; C92-L96 PolarHBondContact O-N 2.81Å; F93-L96 PolarHBondContact O-N 2.83Å; L96-P99 HydrophobicContact CG-CG 4.42Å; L96-P99 WeakPolarHBondContact O-CD 3.22Å; L96-P99 VanDerWaalsContact O-CG 3.31Å; L96-P99 WeakPolarHBondContact O-CG 3.45Å
97L57.8Low58.6Low70 Ų70114.2 Ų114.237%0.36657%0.574SS.*Hα-helixtrans-74.8-30.6161-11268.2000111.8E38 F93E38-L97 HydrophobicContact CB-CD1 4.13Å; E38-L97 HydrophobicContact CG-CD1 3.98Å; E38-L97 WeakPolarHBondContact OE1-CD1 3.24Å; E38-L97 WeakPolarHBondContact OE1-CG 3.11Å; E38-L97 WeakPolarHBondContact OE2-CD1 3.4Å; F93-L97 HydrophobicContact CD1-CD1 4.37Å; F93-L97 HydrophobicContact CD2-CD1 3.91Å; F93-L97 HydrophobicContact CE1-CD1 3.94Å; F93-L97 HydrophobicContact CE1-CD2 3.94Å; F93-L97 HydrophobicContact CE2-CD1 3.45Å; F93-L97 VanDerWaalsContact CE2-CD1 3.45Å; F93-L97 HydrophobicContact CG-CD1 4.36Å; F93-L97 HydrophobicContact CZ-CD1 3.45Å; F93-L97 VanDerWaalsContact CZ-CD1 3.45Å; F93-L97 HydrophobicContact CZ-CD2 4.04Å; F93-L97 HydrophobicContact CZ-CG 4.41Å; F93-L97 WeakPolarHBondContact O-CB 3.31Å; F93-L97 PolarHBondContact O-N 3.45Å
98R51.7Low57.7Low219 Ų219114.3 Ų114.383%0.82659%0.589SS**SBendtrans-94.324.5176.9-74.6-140.2-173.6-150.85.3119.2I94 I95I94-R98 PolarHBondContact O-N 3.49Å; I95-R98 CarbonylContact O-C 3.47Å; I95-R98 PolarHBondContact O-N 2.88Å
99P53.7Low57Low61 Ų61112.4 Ų112.440%0.39660%0.601SS.*SBendtrans-95.8-22.8164.64.913.9000112.4I95 L96 R101 N102I95-P99 WeakPolarHBondContact O-CD 3.3Å; I95-P99 WeakPolarHBondContact O-CG 3.07Å; L96-P99 HydrophobicContact CG-CG 4.42Å; L96-P99 WeakPolarHBondContact O-CD 3.22Å; L96-P99 VanDerWaalsContact O-CG 3.31Å; L96-P99 WeakPolarHBondContact O-CG 3.45Å; P99-R101 PolarHBondContact O-N 2.78Å; P99-N102 PolarHBondContact O-N 2.95Å
100K52.5Low56.1Low199 Ų199121.2 Ų121.287%0.86563%0.631SS**THydrogen-bonded Turntrans-83.533.9-172.6-158.4-178.5165.872.40113.3
101R52.7Low55.7Low211 Ų211123.6 Ų123.680%0.79665%0.645SS**THydrogen-bonded Turntrans-149.625.4170.3-141.9-169.173.4129.56.5112.3P99P99-R101 PolarHBondContact O-N 2.78Å
102N51Low54.9Low108 Ų108123.4 Ų123.458%0.57866%0.657SS**SBendtrans-132.512.2175.7-163.962.9000113.3P99P99-N102 PolarHBondContact O-N 2.95Å
103T54.3Low54.1Low109 Ų109126 Ų12667%0.66967%0.671SS**SBendtrans-123.538176.4-40.20000112.1
104D52.5Low53.8Low157 Ų157131.8 Ų131.884%0.8470%0.703SS**SBendtrans-128.9-8.2158-91.7-53.3000114.1
105E53.9Low52.5Low135 Ų135132.5 Ų132.563%0.63171%0.708SS**SBendtrans-104.6-9.9-178.5-2.9-80.3170.700115.2
106T54.1Low51.6Low109 Ų109135 Ų13567%0.66972%0.715SS**SBendtrans-137.127.9-170.4-37.80000114.9
107V52.6Low50.4Low133 Ų133134.7 Ų134.781%0.80672%0.723SS**  trans-12240.6158.5-168.90000109.6G109V107-G109 VanDerWaalsContact C-N 3.32Å
108G54.6Low50Low72 Ų72139.4 Ų139.474%0.74275%0.747SS**  trans-99.142.2161.100000110.8R110G108-R110 PolarHBondContact O-N 3.32Å
109G50.8Low49.3Very low74 Ų74136.6 Ų136.676%0.76374%0.743SS**  trans-67.683.6170.700000110.2V107V107-G109 VanDerWaalsContact C-N 3.32Å
110R45.3Very low48.7Very low233 Ų233141.2 Ų141.288%0.87976%0.763SS**  trans-12495.2158.3-75.2-155.5-80.6176.9-5.2109.2G108G108-R110 PolarHBondContact O-N 3.32Å
111V51.6Low48.4Very low111 Ų111137.8 Ų137.867%0.67376%0.759SS**  trans26.5125.7136.6-173.10000116.5T113V111-T113 HydrophobicContact CG1-CG2 4.29Å; V111-T113 PolarHBondContact O-N 3.04Å
112P46.6Very low47.9Very low133 Ų133131.8 Ų131.886%0.86475%0.749SS**  trans-72.292.6170.130.7-30.5000109.7L114P112-L114 PolarHBondContact O-N 3.46Å
113T43.2Very low47.7Very low123 Ų123131 Ų13176%0.75576%0.758SS**  trans-89.492.1159.850.80000108.6V111 D115V111-T113 HydrophobicContact CG1-CG2 4.29Å; V111-T113 PolarHBondContact O-N 3.04Å; T113-D115 PolarHBondContact O-N 2.89Å
114L54.5Low46.8Very low169 Ų169130.6 Ų130.689%0.88576%0.76SS**  trans-43.6114.7147.5-177.287.9000109.1P112P112-L114 PolarHBondContact O-N 3.46Å
115D40.1Very low46.5Very low119 Ų119128.7 Ų128.764%0.63675%0.754SS**  170.7139.9129.8-171-134.4000111.5T113T113-D115 PolarHBondContact O-N 2.89Å
116K48.4Very low46.1Very low169 Ų169126.5 Ų126.574%0.73575%0.753SS**  trans6595.5169.9-78.2179.5-170.878.90118.8
117S36.5Very low45.5Very low115 Ų115124.4 Ų124.480%0.80474%0.743SS**  177.476.7106.135.30000111.9Q119S117-Q119 PolarHBondContact O-N 3.2Å
118I49.3Very low45.3Very low169 Ų169124.5 Ų124.587%0.86774%0.735SS**  trans-53106.7142.3-64.8167.6000105.2
119Q38.2Very low45Very low160 Ų160127.7 Ų127.775%0.74873%0.734SS**  trans166.259161.1-91.1-8075.200113S117S117-Q119 PolarHBondContact O-N 3.2Å
120L39.4Very low44.7Very low157 Ų157129.2 Ų129.282%0.82273%0.725SS**  trans-174.867147.5-126.668.6000110.4
121T47.1Very low44.9Very low128 Ų128123.3 Ų123.379%0.78571%0.71SS**  -6.6105.795.4-54.90000114
122S42.3Very low44.9Very low84 Ų84121.9 Ų121.959%0.58770%0.702SS**  trans161.9-5.8130.349.50000115.4
123A47.1Very low45Very low93 Ų93118.7 Ų118.777%0.76969%0.687SS**SBendtrans-96.7-30.2-174.700000115.6
124S35.6Very low45.1Very low99 Ų99120.3 Ų120.369%0.69269%0.686SS**SBendtrans-97.2-11.2-177.3-163.40000114.8S126 S127S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S127 PolarHBondContact O-OG 3.32Å
125V45.5Very low44.7Very low118 Ų118116.5 Ų116.572%0.71567%0.673SS**SBendtrans-82.4-15175179.20000111.4
126S45.9Very low45.2Very low89 Ų89117.4 Ų117.462%0.62268%0.677SS**Hα-helixtrans-82.5-21-178.6-153.50000114.2S124S124-S126 VanDerWaalsContact C-N 3.33Å
127S42Very low45.4Very low64 Ų64115 Ų11545%0.44868%0.676SS.*Hα-helixtrans-82.4-22.3177.348.60000113.3S124 N131S124-S127 PolarHBondContact O-OG 3.32Å; S127-N131 PolarHBondContact O-ND2 3.31Å
128E47.2Very low45.6Very low136 Ų136117.6 Ų117.664%0.63668%0.68SS**Hα-helixtrans-86.6-17.7176.9-76.8-76.899.300113.1T132E128-T132 PolarHBondContact O-OG1 3.47Å
129L48.8Very low45.2Very low139 Ų139117.4 Ų117.473%0.72868%0.681SS**Hα-helixtrans-87.8-17.5177.4-157.375000113.9
130N45.3Very low45.4Very low106 Ų106122.3 Ų122.357%0.56770%0.704SS**Hα-helixtrans-79.2-40.3176-179.97.8000111.6T132N130-T132 PolarHBondContact O-N 2.93Å
131N48.5Very low45.7Very low108 Ų108120.6 Ų120.658%0.57870%0.698SS**Hα-helixtrans-86-8.1-173-63.6-66.9000114.4S127S127-N131 PolarHBondContact O-ND2 3.31Å
132T50.8Low45.6Very low81 Ų81120.2 Ų120.250%0.49769%0.693SS.*Hα-helixtrans-107.1-15.4178.4-50.60000113.2E128 N130E128-T132 PolarHBondContact O-OG1 3.47Å; N130-T132 PolarHBondContact O-N 2.93Å
133A49.1Very low45.8Very low66 Ų66122.2 Ų122.255%0.54570%0.699SS.*Hα-helixtrans-84.8-19.6173.600000113.4
134E45.6Very low45.7Very low157 Ų157123.9 Ų123.973%0.73470%0.695SS**SBendtrans-86.5-12.9179.7-138.4-172.9139.300113.5
135S46.3Very low46.3Very low90 Ų90125.4 Ų125.463%0.62970%0.695SS**SBendtrans-100.25.1-175.948.20000115.2
136I50.8Low46.4Very low137 Ų137125.9 Ų125.970%0.70369%0.694SS**SBendtrans-119.61.6179.6-56.6178.9000113.1
137V52.3Low46.4Very low120 Ų120128.6 Ų128.673%0.72770%0.699SS**SBendtrans-117.818.6-175.6-170.30000114.5
138L41.1Very low46.8Very low168 Ų168133.5 Ų133.588%0.8872%0.718SS**  trans-127.840.3169.8-84.3165.4000112.5
139D41.1Very low46.7Very low165 Ų165133.3 Ų133.388%0.88273%0.725SS**  trans-118.876.5151.9-157.9-93.9000107.5
140E41.4Very low46.6Very low263 Ų263132.8 Ų132.8100%1.22973%0.725SS**  trans-155.80148.7-155.6171.399.500110.2

Retrieved 140 of 140 residues in 295.4 ms (Link to these results)