A0A087YNL6_POEFO Loading...

3-oxo-5-alpha-steroid 4-dehydrogenase

Converts testosterone (T) into 5-alpha-dihydrotestosterone (DHT) and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology. Converts testosterone into 5-alpha-dihydrotestosterone and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology.

AlphaFold DB , UniProt , Accession A0A087YNL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M61.5Low90.4Very high104 Ų10485.6 Ų85.651%0.51246%0.455SS..  01500-63.4-171.4-144.700108.5L69 H130M1-L69 HydrophobicContact CE-CB 3.82Å; M1-L69 HydrophobicContact CE-CD1 4.43Å; M1-H130 PolarHBondContact O-ND1 3.43Å
2H83.1Confident91Very high160 Ų16078.5 Ų78.574%0.74142%0.417SS*.  trans-77.8155.8177.2-70.8-71.8000111.8Y4H2-Y4 PolarHBondContact O-N 3.36Å
3C89.1Confident91.5Very high39 Ų3977.1 Ų77.126%0.26442%0.416SS..  trans-69.9115.7171.1177.40000110.9E5 H130 C131C3-E5 HydrophobicContact CB-CG 4.47Å; C3-E5 PolarHBondContact O-N 3.39Å; C3-E5 WeakPolarHBondContact SG-CG 3.14Å; C3-H130 WeakPolarHBondContact CB-O 3.34Å; C3-C131 VanDerWaalsContact CA-SG 3.56Å; C3-C131 HydrophobicContact CB-CB 4.01Å; C3-C131 WeakPolarHBondContact CB-SG 3.01Å; C3-C131 WeakPolarHBondContact SG-CA 3.39Å; C3-C131 WeakPolarHBondContact SG-CB 3.43Å; C3-C131 CovalentContact SG-SG 2.03Å; C3-C131 PolarHBondContact SG-SG 2.95Å
4Y91.9Very high91.9Very high123 Ų12374.2 Ų74.248%0.48241%0.414SS..  trans-84.272.2169.9-56.2-61.5000112.5H2 S6 V7 V8 H126H2-Y4 PolarHBondContact O-N 3.36Å; Y4-S6 PolarHBondContact O-N 3.18Å; Y4-V7 PolarHBondContact O-N 3.31Å; Y4-V7 VanDerWaalsContact O-N 3.16Å; Y4-V8 PolarHBondContact O-N 3.41Å; Y4-V8 VanDerWaalsContact O-N 3.1Å; Y4-H126 AromaticContact CD2-CE1 3.31Å; Y4-H126 WeakPolarHBondContact CD2-CE1 3.17Å; Y4-H126 AromaticContact CD2-NE2 3.62Å; Y4-H126 AromaticContact CE2-CE1 3.96Å; Y4-H126 PolarHBondContact N-NE2 3.26Å
5E91.9Very high92.2Very high132 Ų13270.4 Ų70.462%0.61739%0.392SS*.Hα-helixtrans-56.2-44.7-175.6-66.7-175.6178.500113.7C3 V7 V8 N9C3-E5 HydrophobicContact CB-CG 4.47Å; C3-E5 PolarHBondContact O-N 3.39Å; C3-E5 WeakPolarHBondContact SG-CG 3.14Å; E5-V7 VanDerWaalsContact C-N 3.26Å; E5-V7 PolarHBondContact O-N 3.46Å; E5-V8 PolarHBondContact O-N 3.15Å; E5-V8 VanDerWaalsContact O-N 3.17Å; E5-N9 PolarHBondContact O-N 2.92Å; E5-N9 PolarHBondContact O-ND2 3.31Å
6S94.7Very high92.5Very high100 Ų10068.4 Ų68.470%0.69938%0.38SS*.Hα-helixtrans-60.1-37.2179.6-53.30000112.5Y4 C10Y4-S6 PolarHBondContact O-N 3.18Å; S6-C10 WeakPolarHBondContact O-CB 3.29Å; S6-C10 PolarHBondContact O-N 3.23Å
7V95.1Very high92.7Very high64 Ų6470.6 Ų70.639%0.38839%0.39SS..Hα-helixtrans-69.7-45177.2177.80000110.1Y4 E5 N9 C10 L11 F122Y4-V7 PolarHBondContact O-N 3.31Å; Y4-V7 VanDerWaalsContact O-N 3.16Å; E5-V7 VanDerWaalsContact C-N 3.26Å; E5-V7 PolarHBondContact O-N 3.46Å; V7-N9 PolarHBondContact O-N 3.42Å; V7-C10 PolarHBondContact O-N 3.47Å; V7-L11 HydrophobicContact CG1-CD1 3.81Å; V7-L11 HydrophobicContact CG1-CG 4.23Å; V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.33Å; V7-L11 PolarHBondContact O-N 3.06Å; V7-F122 HydrophobicContact CG1-CE1 4.2Å
8V96.4Very high92.8Very high6 Ų669.3 Ų69.34%0.03639%0.39CS..Hα-helixtrans-57.9-48.4176.81720000110.8Y4 E5 S12 L123 Y127 P210Y4-V8 PolarHBondContact O-N 3.41Å; Y4-V8 VanDerWaalsContact O-N 3.1Å; E5-V8 PolarHBondContact O-N 3.15Å; E5-V8 VanDerWaalsContact O-N 3.17Å; V8-S12 VanDerWaalsContact O-CB 3.24Å; V8-S12 WeakPolarHBondContact O-CB 3.49Å; V8-S12 PolarHBondContact O-N 3.28Å; V8-S12 PolarHBondContact O-OG 3.24Å; V8-L123 HydrophobicContact CB-CD1 4.26Å; V8-L123 HydrophobicContact CG1-CD1 3.97Å; V8-L123 HydrophobicContact CG2-CD1 4.39Å; V8-Y127 HydrophobicContact CG1-CD2 3.97Å; V8-P210 HydrophobicContact CG1-CG 3.52Å
9N96.6Very high92.8Very high78 Ų7865.6 Ų65.642%0.41737%0.369SS..Hα-helixtrans-64.8-46.2180-70.1-21.2000111.6E5 V7 S12 C13E5-N9 PolarHBondContact O-N 2.92Å; E5-N9 PolarHBondContact O-ND2 3.31Å; V7-N9 PolarHBondContact O-N 3.42Å; N9-S12 PolarHBondContact O-N 2.84Å; N9-C13 WeakPolarHBondContact O-CB 3.4Å; N9-C13 PolarHBondContact O-N 2.91Å; N9-C13 PolarHBondContact O-SG 3.28Å
10C97.1Very high92.9Very high89 Ų8966.5 Ų66.560%0.60137%0.372SS*.Hα-helixtrans-61.1-48.1179.1-174.60000112S6 V7 S12 C13 G14S6-C10 WeakPolarHBondContact O-CB 3.29Å; S6-C10 PolarHBondContact O-N 3.23Å; V7-C10 PolarHBondContact O-N 3.47Å; C10-S12 PolarHBondContact O-N 2.76Å; C10-C13 PolarHBondContact O-N 3.14Å; C10-G14 PolarHBondContact O-N 3.02Å
11L97.1Very high92.8Very high47 Ų4768.1 Ų68.125%0.24638%0.38CS..Hα-helixtrans-64.7-39.8178.1-70.6177.9000112V7 G14 M15 L119 F122 L123V7-L11 HydrophobicContact CG1-CD1 3.81Å; V7-L11 HydrophobicContact CG1-CG 4.23Å; V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.33Å; V7-L11 PolarHBondContact O-N 3.06Å; L11-G14 PolarHBondContact O-N 2.77Å; L11-M15 WeakPolarHBondContact O-CB 3.29Å; L11-M15 PolarHBondContact O-N 2.69Å; L11-L119 HydrophobicContact CD2-CD2 4.28Å; L11-F122 HydrophobicContact CD1-CD1 3.93Å; L11-F122 HydrophobicContact CD1-CE1 4.06Å; L11-L123 HydrophobicContact CB-CD1 4Å; L11-L123 HydrophobicContact CB-CD2 4.15Å; L11-L123 HydrophobicContact CD1-CD1 4.43Å
12S97.8Very high94.1Very high0 Ų065.1 Ų65.10%036%0.364CS..Hα-helixtrans-65.4-44.3178.5-58.20000112V8 N9 C10 M15 L16 S213V8-S12 VanDerWaalsContact O-CB 3.24Å; V8-S12 WeakPolarHBondContact O-CB 3.49Å; V8-S12 PolarHBondContact O-N 3.28Å; V8-S12 PolarHBondContact O-OG 3.24Å; N9-S12 PolarHBondContact O-N 2.84Å; C10-S12 PolarHBondContact O-N 2.76Å; S12-M15 PolarHBondContact O-N 3.45Å; S12-L16 WeakPolarHBondContact O-CG 3.5Å; S12-L16 PolarHBondContact O-N 3.36Å; S12-S213 WeakPolarHBondContact CB-OG 3.29Å; S12-S213 PolarHBondContact O-OG 3.44Å
13C97.4Very high94.4Very high60 Ų6060.2 Ų60.241%0.40534%0.343SS..Hα-helixtrans-65.8-43.1174.4-70.70000111.6N9 C10 M15 L16 L17N9-C13 WeakPolarHBondContact O-CB 3.4Å; N9-C13 PolarHBondContact O-N 2.91Å; N9-C13 PolarHBondContact O-SG 3.28Å; C10-C13 PolarHBondContact O-N 3.14Å; C13-M15 VanDerWaalsContact C-N 3.3Å; C13-M15 PolarHBondContact O-N 3.27Å; C13-L16 PolarHBondContact O-N 3.26Å; C13-L17 WeakPolarHBondContact O-CB 3.45Å; C13-L17 WeakPolarHBondContact O-CG 3.5Å; C13-L17 PolarHBondContact O-N 3.34Å
14G96.9Very high94.3Very high37 Ų3762.9 Ų62.938%0.38135%0.354SS..Hα-helixtrans-59.3-41.1175.600000112.2C10 L11 L17 A18C10-G14 PolarHBondContact O-N 3.02Å; L11-G14 PolarHBondContact O-N 2.77Å; G14-L17 PolarHBondContact O-N 3.18Å; G14-A18 VanDerWaalsContact O-CB 3.25Å; G14-A18 WeakPolarHBondContact O-CB 3.31Å; G14-A18 PolarHBondContact O-N 3.42Å
15M96.4Very high94Very high17 Ų1761.3 Ų61.38%0.08435%0.354CS..Hα-helixtrans-65.5-43.5175.8-171.3160.46500111.9L11 S12 C13 A18 G19 F116 L123 S213 I214 F217L11-M15 WeakPolarHBondContact O-CB 3.29Å; L11-M15 PolarHBondContact O-N 2.69Å; S12-M15 PolarHBondContact O-N 3.45Å; C13-M15 VanDerWaalsContact C-N 3.3Å; C13-M15 PolarHBondContact O-N 3.27Å; M15-A18 PolarHBondContact O-N 2.72Å; M15-G19 PolarHBondContact O-N 3.06Å; M15-F116 HydrophobicContact CG-CE2 3.93Å; M15-F116 HydrophobicContact SD-CE2 3.52Å; M15-F116 VanDerWaalsContact SD-CE2 3.52Å; M15-F116 HydrophobicContact SD-CZ 3.86Å; M15-L123 HydrophobicContact CE-CD2 3.81Å; M15-S213 VanDerWaalsContact CE-C 3.5Å; M15-I214 HydrophobicContact CE-CB 4.01Å; M15-F217 HydrophobicContact CG-CB 3.82Å; M15-F217 HydrophobicContact CG-CD2 3.86Å; M15-F217 HydrophobicContact CG-CG 3.9Å; M15-F217 WeakPolarHBondContact O-CD2 3.26Å
16L96.7Very high93.3Very high39 Ų3955.4 Ų55.420%0.20433%0.326CS..Hα-helixtrans-59.7-49174-74.2168.3000112S12 C13 A18 G19 L20 L209 S213 V216S12-L16 WeakPolarHBondContact O-CG 3.5Å; S12-L16 PolarHBondContact O-N 3.36Å; C13-L16 PolarHBondContact O-N 3.26Å; L16-A18 PolarHBondContact O-N 2.83Å; L16-G19 PolarHBondContact O-N 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 2.92Å; L16-L209 HydrophobicContact CD1-CD1 4.34Å; L16-S213 WeakPolarHBondContact CD1-OG 3.47Å; L16-S213 WeakPolarHBondContact CG-OG 3.31Å; L16-V216 HydrophobicContact CD2-CB 3.58Å; L16-V216 HydrophobicContact CD2-CG1 3.61Å; L16-V216 HydrophobicContact CD2-CG2 4.15Å
17L96.2Very high92.1Very high106 Ų10660.2 Ų60.256%0.55533%0.329SS*.Hα-helixtrans-61.6-43.4178.2-70.8172.5000111.4C13 G14 G19 L20 L21C13-L17 WeakPolarHBondContact O-CB 3.45Å; C13-L17 WeakPolarHBondContact O-CG 3.5Å; C13-L17 PolarHBondContact O-N 3.34Å; G14-L17 PolarHBondContact O-N 3.18Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.35Å; L17-L20 PolarHBondContact O-N 3.43Å; L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 3.41Å
18A94.1Very high90.6Very high46 Ų4665.8 Ų65.838%0.3835%0.348SS..Hα-helixtrans-60.6-41.6175.900000111.8G14 M15 L16 H22 F217G14-A18 VanDerWaalsContact O-CB 3.25Å; G14-A18 WeakPolarHBondContact O-CB 3.31Å; G14-A18 PolarHBondContact O-N 3.42Å; M15-A18 PolarHBondContact O-N 2.72Å; L16-A18 PolarHBondContact O-N 2.83Å; A18-H22 VanDerWaalsContact O-CB 3.26Å; A18-H22 WeakPolarHBondContact O-CB 3.46Å; A18-H22 PolarHBondContact O-N 2.98Å; A18-F217 HydrophobicContact CB-CE2 4.32Å
19G93.6Very high89Confident0 Ų068.3 Ų68.30%037%0.369CS..Hα-helixtrans-60.6-50.5174.100000112.2M15 L16 L17 H22 L23 C220M15-G19 PolarHBondContact O-N 3.06Å; L16-G19 PolarHBondContact O-N 3.27Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.35Å; G19-H22 WeakPolarHBondContact O-CB 3.3Å; G19-H22 PolarHBondContact O-N 3.03Å; G19-L23 PolarHBondContact O-N 3.4Å; G19-C220 WeakPolarHBondContact O-CB 3.5Å
20L93.4Very high87.7Confident83 Ų8367.1 Ų67.144%0.43536%0.361SS..Hα-helixtrans-63.7-43.6179.1-68.1173.7000112.6L16 L17 H22 L23 I24L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.43Å; L20-H22 VanDerWaalsContact C-N 3.3Å; L20-H22 PolarHBondContact O-N 3.13Å; L20-L23 WeakPolarHBondContact O-CB 3.21Å; L20-L23 PolarHBondContact O-N 3.4Å; L20-I24 WeakPolarHBondContact O-CG1 3.27Å; L20-I24 PolarHBondContact O-N 3.12Å
21L91.9Very high86.1Confident100 Ų10064.2 Ų64.252%0.52434%0.344SS..Hα-helixtrans-61.4-41.2174.4-74.1171000111L17 I24 N25L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 3.41Å; L21-I24 PolarHBondContact O-N 3.06Å; L21-N25 WeakPolarHBondContact O-CB 3.3Å; L21-N25 VanDerWaalsContact O-CG 3.31Å; L21-N25 PolarHBondContact O-N 3.19Å; L21-N25 PolarHBondContact O-ND2 3.29Å
22H88.8Confident85Confident41 Ų4164.1 Ų64.119%0.1935%0.347CS..Hα-helixtrans-60.8-47.3174-174.679.5000111A18 G19 L20 I24 N25 H26 F221A18-H22 VanDerWaalsContact O-CB 3.26Å; A18-H22 WeakPolarHBondContact O-CB 3.46Å; A18-H22 PolarHBondContact O-N 2.98Å; G19-H22 WeakPolarHBondContact O-CB 3.3Å; G19-H22 PolarHBondContact O-N 3.03Å; L20-H22 VanDerWaalsContact C-N 3.3Å; L20-H22 PolarHBondContact O-N 3.13Å; H22-I24 VanDerWaalsContact C-N 3.31Å; H22-I24 PolarHBondContact O-N 3.31Å; H22-N25 PolarHBondContact O-N 3.48Å; H22-H26 AromaticContact NE2-CD2 3.3Å; H22-H26 PolarHBondContact NE2-CD2 3Å; H22-H26 VanDerWaalsContact NE2-CD2 3.3Å; H22-H26 WeakPolarHBondContact O-CB 3.41Å; H22-H26 PolarHBondContact O-N 3.4Å; H22-F221 HydrophobicContact CB-CD2 4.41Å; H22-F221 AromaticContact CD2-CD2 3.35Å; H22-F221 WeakPolarHBondContact CD2-CD2 3.46Å; H22-F221 AromaticContact CD2-CE2 3.78Å; H22-F221 AromaticContact CE1-CD2 3.74Å; H22-F221 AromaticContact CE1-CE2 3.31Å; H22-F221 WeakPolarHBondContact CE1-CE2 3.26Å; H22-F221 AromaticContact CE1-CZ 3.89Å; H22-F221 AromaticContact CG-CD2 3.62Å; H22-F221 AromaticContact CG-CE2 3.78Å; H22-F221 AromaticContact ND1-CD2 3.86Å; H22-F221 AromaticContact ND1-CE2 3.51Å; H22-F221 AromaticContact NE2-CD2 3.45Å; H22-F221 WeakPolarHBondContact NE2-CD2 3.17Å; H22-F221 AromaticContact NE2-CE2 3.48Å; H22-F221 WeakPolarHBondContact NE2-CE2 3.32Å
23L89.3Confident83.9Confident57 Ų5764.9 Ų64.930%0.29835%0.35SS..Hα-helixtrans-56.9-43.2177.3177.262.2000112.2G19 L20 C220 P224G19-L23 PolarHBondContact O-N 3.4Å; L20-L23 WeakPolarHBondContact O-CB 3.21Å; L20-L23 PolarHBondContact O-N 3.4Å; L23-C220 HydrophobicContact CB-CB 4.12Å; L23-P224 HydrophobicContact CD1-CG 3.29Å
24I87.9Confident83.1Confident95 Ų9563.2 Ų63.249%0.48734%0.342SS..Hα-helixtrans-65.2-47.5177-66.6165000110.7L20 L21 H22 H26 R27L20-I24 WeakPolarHBondContact O-CG1 3.27Å; L20-I24 PolarHBondContact O-N 3.12Å; L21-I24 PolarHBondContact O-N 3.06Å; H22-I24 VanDerWaalsContact C-N 3.31Å; H22-I24 PolarHBondContact O-N 3.31Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 3.36Å; I24-R27 WeakPolarHBondContact O-CB 3.44Å; I24-R27 PolarHBondContact O-N 3.44Å
25N83.8Confident82.4Confident91 Ų9163.1 Ų63.149%0.48733%0.331SS..Hα-helixtrans-69.6-32.1-179.1-73.1-24.5000112.4L21 H22 R27 K28 A29L21-N25 WeakPolarHBondContact O-CB 3.3Å; L21-N25 VanDerWaalsContact O-CG 3.31Å; L21-N25 PolarHBondContact O-N 3.19Å; L21-N25 PolarHBondContact O-ND2 3.29Å; H22-N25 PolarHBondContact O-N 3.48Å; N25-R27 PolarHBondContact O-N 3.23Å; N25-K28 WeakPolarHBondContact O-CA 3.38Å; N25-K28 WeakPolarHBondContact O-CB 3.34Å; N25-K28 PolarHBondContact O-N 2.6Å; N25-A29 PolarHBondContact O-N 2.95Å
26H78.4Confident81.6Confident7 Ų763.4 Ų63.43%0.03233%0.332CS..Hα-helixtrans-65.2-25.4179.6-158.1-32.5000111.6H22 I24 K28 A29 P224 Y228H22-H26 AromaticContact NE2-CD2 3.3Å; H22-H26 PolarHBondContact NE2-CD2 3Å; H22-H26 VanDerWaalsContact NE2-CD2 3.3Å; H22-H26 WeakPolarHBondContact O-CB 3.41Å; H22-H26 PolarHBondContact O-N 3.4Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 3.36Å; H26-K28 PolarHBondContact O-N 3.33Å; H26-A29 WeakPolarHBondContact CA-O 3.14Å; H26-P224 HydrophobicContact CB-CB 4.42Å; H26-Y228 AromaticContact CE1-CD2 3.36Å; H26-Y228 WeakPolarHBondContact CE1-CD2 3.41Å; H26-Y228 AromaticContact CE1-CE2 3.3Å; H26-Y228 WeakPolarHBondContact CE1-CE2 3.24Å; H26-Y228 AromaticContact ND1-CD2 3.87Å; H26-Y228 AromaticContact ND1-CE2 3.28Å; H26-Y228 VanDerWaalsContact ND1-CE2 3.28Å; H26-Y228 WeakPolarHBondContact ND1-CE2 3.24Å; H26-Y228 PolarHBondContact O-OH 3.21Å
27R68.9Low80.5Confident202 Ų20265.3 Ų65.376%0.76234%0.34SS*.THydrogen-bonded Turntrans-61.1-25.6169.3-63.7-175.2178.6-167.7-0.3112.6I24 N25I24-R27 WeakPolarHBondContact O-CB 3.44Å; I24-R27 PolarHBondContact O-N 3.44Å; N25-R27 PolarHBondContact O-N 3.23Å
28K64.8Low79Confident181 Ų18165.7 Ų65.779%0.78734%0.338SS*.THydrogen-bonded Turntrans-101.9-38.5-177.3-59.2-178.4-179.21790112.9N25 H26N25-K28 WeakPolarHBondContact O-CA 3.38Å; N25-K28 WeakPolarHBondContact O-CB 3.34Å; N25-K28 PolarHBondContact O-N 2.6Å; H26-K28 PolarHBondContact O-N 3.33Å
29A62.2Low77.2Confident58 Ų5870.1 Ų70.148%0.47936%0.363SS..  trans-148128.4-178.900000111.9N25 H26N25-A29 PolarHBondContact O-N 2.95Å; H26-A29 WeakPolarHBondContact CA-O 3.14Å
30Q68.3Low75.4Confident54 Ų5475.6 Ų75.625%0.25240%0.396SS..  trans-76.9148178.8-56.7176.7-30.900111.6S32 H36 Y228Q30-S32 PolarHBondContact O-N 3.48Å; Q30-H36 HydrophobicContact CB-CB 4.36Å; Q30-H36 VanDerWaalsContact OE1-CG 3.31Å; Q30-H36 PolarHBondContact OE1-ND1 2.9Å; Q30-H36 VanDerWaalsContact OE1-ND1 3.12Å; Q30-Y228 HydrophobicContact CG-CD2 4.25Å; Q30-Y228 HydrophobicContact CG-CE2 4.24Å; Q30-Y228 HydrophobicContact CG-CG 4.45Å; Q30-Y228 VanDerWaalsContact NE2-CE1 3.34Å
31A65.2Low73.5Confident28 Ų2875.8 Ų75.823%0.23141%0.41CS..  trans-60120.6168.900000110Y33A31-Y33 VanDerWaalsContact C-N 3.34Å; A31-Y33 HydrophobicContact CB-CD1 3.92Å; A31-Y33 HydrophobicContact CB-CE1 3.71Å; A31-Y33 PolarHBondContact O-N 2.91Å
32S73.4Confident71.8Confident44 Ų4477.4 Ų77.431%0.30843%0.427SS..  trans-81.772-168.8-168.80000112Q30 K38 P106Q30-S32 PolarHBondContact O-N 3.48Å; S32-K38 PolarHBondContact OG-N 3.46Å; S32-P106 VanDerWaalsContact O-CG 3.29Å; S32-P106 WeakPolarHBondContact O-CG 3.33Å
33Y75.1Confident70.8Confident17 Ų1778 Ų787%0.06744%0.438CS..SBendtrans-152.8158.2171.871.5-75.5000113.1A31 R35 W52 F105 V109 R225A31-Y33 VanDerWaalsContact C-N 3.34Å; A31-Y33 HydrophobicContact CB-CD1 3.92Å; A31-Y33 HydrophobicContact CB-CE1 3.71Å; A31-Y33 PolarHBondContact O-N 2.91Å; Y33-R35 PolarHBondContact O-N 3.4Å; Y33-W52 HydrophobicContact CE2-CZ2 4.39Å; Y33-F105 AromaticContact CD2-CD2 3.91Å; Y33-F105 HydrophobicContact CD2-CD2 3.91Å; Y33-F105 AromaticContact CD2-CE2 3.17Å; Y33-F105 HydrophobicContact CD2-CE2 3.17Å; Y33-F105 AromaticContact CD2-CZ 3.8Å; Y33-F105 HydrophobicContact CD2-CZ 3.8Å; Y33-F105 AromaticContact CE2-CE2 3.46Å; Y33-F105 HydrophobicContact CE2-CE2 3.46Å; Y33-F105 VanDerWaalsContact CE2-CE2 3.46Å; Y33-F105 AromaticContact CE2-CZ 3.86Å; Y33-F105 HydrophobicContact CE2-CZ 3.86Å; Y33-F105 AromaticContact CG-CE2 3.92Å; Y33-F105 HydrophobicContact CG-CE2 3.92Å; Y33-F105 HydrophobicContact CG-CZ 4.24Å; Y33-V109 HydrophobicContact CD1-CG1 4.15Å; Y33-V109 HydrophobicContact CE1-CG1 4.29Å; Y33-R225 VanDerWaalsContact CE2-CZ 3.45Å; Y33-R225 PolarHBondContact OH-NH1 2.83Å
34G80.4Confident70.8Confident24 Ų2484.5 Ų84.525%0.24746%0.459CS..G310 helixtrans64.3-129.5-17400000110.9H36 M37G34-H36 PolarHBondContact O-N 3.44Å; G34-M37 WeakPolarHBondContact O-CB 3.35Å; G34-M37 PolarHBondContact O-N 2.72Å
35R81.3Confident70.9Confident36 Ų3683.5 Ų83.514%0.13645%0.453CS..G310 helixtrans-70.4-13.6-177.362.7173.950.7167.4-6.4115.6Y33 Y176 H229 Y233Y33-R35 PolarHBondContact O-N 3.4Å; R35-Y176 WeakPolarHBondContact CA-OH 3.35Å; R35-Y176 HydrophobicContact CB-CE1 3.74Å; R35-Y176 HydrophobicContact CB-CE2 4.12Å; R35-Y176 VanDerWaalsContact CB-CZ 3.5Å; R35-Y176 WeakPolarHBondContact CB-OH 3.3Å; R35-Y176 PolarHBondContact N-OH 2.85Å; R35-Y176 VanDerWaalsContact N-OH 3.15Å; R35-Y176 VanDerWaalsContact NH2-CD1 3.33Å; R35-H229 PolarHBondContact NH1-O 2.95Å; R35-Y233 PolarHBondContact NH2-OH 3.46Å
36H80.1Confident71.3Confident23 Ų2380.1 Ų80.111%0.10644%0.436CS..G310 helixtrans-106.112.1-178.1-59.9-55.7000112.6Q30 G34 K38 H229Q30-H36 HydrophobicContact CB-CB 4.36Å; Q30-H36 VanDerWaalsContact OE1-CG 3.31Å; Q30-H36 PolarHBondContact OE1-ND1 2.9Å; Q30-H36 VanDerWaalsContact OE1-ND1 3.12Å; G34-H36 PolarHBondContact O-N 3.44Å; H36-K38 PolarHBondContact O-N 2.94Å; H36-K38 VanDerWaalsContact O-N 3.15Å; H36-H229 AromaticContact NE2-CD2 3.36Å; H36-H229 PolarHBondContact NE2-CD2 3.19Å; H36-H229 AromaticContact NE2-NE2 3.96Å
37M73Confident72.1Confident78 Ų7883.9 Ų83.938%0.38446%0.461SS..  trans-61.8116.5176.3-170.2170.867.600109.5G34 M45G34-M37 WeakPolarHBondContact O-CB 3.35Å; G34-M37 PolarHBondContact O-N 2.72Å; M37-M45 HydrophobicContact SD-CE 3.53Å; M37-M45 VanDerWaalsContact SD-CE 3.53Å
38K65.8Low73.2Confident114 Ų11474.7 Ų74.750%0.49643%0.427SS..  trans-80.3144.5174.6-67.5-174.4-179.9-177.60109.8S32 H36 T40S32-K38 PolarHBondContact OG-N 3.46Å; H36-K38 PolarHBondContact O-N 2.94Å; H36-K38 VanDerWaalsContact O-N 3.15Å; K38-T40 PolarHBondContact O-N 2.98Å
39P56.5Low74.6Confident140 Ų14072.3 Ų72.391%0.90941%0.414SS*.SBendtrans-699-179.1-19.131.5000116.5
40T55.3Low76.3Confident114 Ų11473 Ų7370%0.69941%0.411SS*.  trans-101.6137.7-165.537.60000115.3K38K38-T40 PolarHBondContact O-N 2.98Å
41A52.8Low77.6Confident88 Ų8870.4 Ų70.473%0.72740%0.399SS*.SBendtrans62.6148.3-178.600000115.6A43A41-A43 PolarHBondContact O-N 3.27Å
42P56.5Low79.1Confident134 Ų13470.7 Ų70.787%0.8739%0.394SS*.  trans-7279.7-178.630.8-33.7000109.8R44P42-R44 PolarHBondContact O-N 2.94Å
43A68.9Low80.2Confident52 Ų5271 Ų7143%0.4339%0.39SS..PPolyproline II helixtrans-69.1124.8169.600000107.9A41 M45A41-A43 PolarHBondContact O-N 3.27Å; A43-M45 HydrophobicContact CB-SD 4.08Å; A43-M45 WeakPolarHBondContact O-CG 3.37Å; A43-M45 PolarHBondContact O-N 2.86Å; A43-M45 VanDerWaalsContact O-N 3.14Å
44R87.6Confident81.3Confident194 Ų19474 Ų7473%0.73241%0.407SS*.PPolyproline II helixtrans-62.1119171.9-175.2166.9177.6-176.93.8108.2P42 L107P42-R44 PolarHBondContact O-N 2.94Å; R44-L107 HydrophobicContact CB-CB 4.19Å; R44-L107 HydrophobicContact CB-CD2 4.08Å; R44-L107 HydrophobicContact CG-CB 4.49Å; R44-L107 HydrophobicContact CG-CD2 4.01Å; R44-L107 WeakPolarHBondContact O-CB 3.23Å; R44-L107 PolarHBondContact O-N 3.48Å
45M90.8Very high82.1Confident75 Ų7573.6 Ų73.637%0.36940%0.399SS..EExtended strand (participates in β ladder)trans-98.1144.8-176.9-56-56.2-76.400110.8M37 A43 P104 P106M37-M45 HydrophobicContact SD-CE 3.53Å; M37-M45 VanDerWaalsContact SD-CE 3.53Å; A43-M45 HydrophobicContact CB-SD 4.08Å; A43-M45 WeakPolarHBondContact O-CG 3.37Å; A43-M45 PolarHBondContact O-N 2.86Å; A43-M45 VanDerWaalsContact O-N 3.14Å; M45-P104 HydrophobicContact CB-CB 3.93Å; M45-P104 HydrophobicContact CE-CB 3.98Å; M45-P104 WeakPolarHBondContact CE-O 3.38Å; M45-P106 HydrophobicContact CE-CG 4.13Å; M45-P106 HydrophobicContact SD-CB 4.3Å; M45-P106 HydrophobicContact SD-CG 4.26Å
46V92.8Very high82.9Confident20 Ų2072.7 Ų72.712%0.12140%0.396CS..EExtended strand (participates in β ladder)trans-119.7141.5177.6-176.70000108.5A48 V50 A51 P104 F105 L107 M110V46-A48 PolarHBondContact O-N 3.36Å; V46-V50 HydrophobicContact CG1-CB 4.05Å; V46-V50 HydrophobicContact CG1-CG1 4Å; V46-A51 HydrophobicContact CB-CB 4.2Å; V46-A51 HydrophobicContact CG1-CB 4.07Å; V46-P104 WeakPolarHBondContact O-CA 3.15Å; V46-F105 PolarHBondContact N-O 3.05Å; V46-F105 PolarHBondContact O-N 3.24Å; V46-L107 HydrophobicContact CG2-CB 4.16Å; V46-L107 HydrophobicContact CG2-CD1 4.16Å; V46-M110 HydrophobicContact CG1-SD 4.28Å; V46-M110 HydrophobicContact CG2-CE 4.31Å
47P94.3Very high83.7Confident86 Ų8674.1 Ų74.156%0.55840%0.404SS*.  trans-53.7132.6173-26.235.1000111.4R49 V50 A51P47-R49 PolarHBondContact O-N 3.48Å; P47-R49 VanDerWaalsContact O-N 3.09Å; P47-V50 HydrophobicContact CB-CG2 4.32Å; P47-V50 PolarHBondContact O-N 3.29Å; P47-A51 PolarHBondContact O-N 3.02Å
48A92.4Very high84.9Confident8 Ų871.7 Ų71.77%0.06639%0.393CS..Hα-helixtrans-51.1-42.1-172.200000113.6V46 A51 W52 T100 Q103V46-A48 PolarHBondContact O-N 3.36Å; A48-A51 PolarHBondContact O-N 3.49Å; A48-W52 VanDerWaalsContact O-CD1 3.24Å; A48-W52 PolarHBondContact O-N 2.93Å; A48-T100 HydrophobicContact CB-CG2 4.04Å; A48-Q103 WeakPolarHBondContact CB-O 3.46Å
49R94.9Very high86.5Confident132 Ų13266.2 Ų66.250%0.49837%0.37SS..Hα-helixtrans-60.8-48.1179.9-64.1-178.5-176.8174.3-0.6112.2P47 A51 F53 S97 L98 T100P47-R49 PolarHBondContact O-N 3.48Å; P47-R49 VanDerWaalsContact O-N 3.09Å; R49-A51 VanDerWaalsContact C-N 3.31Å; R49-F53 WeakPolarHBondContact O-CB 3.2Å; R49-F53 PolarHBondContact O-N 3.22Å; R49-S97 VanDerWaalsContact CA-O 3.3Å; R49-S97 WeakPolarHBondContact CA-O 3.15Å; R49-S97 WeakPolarHBondContact CB-O 3.44Å; R49-S97 WeakPolarHBondContact CG-O 3.46Å; R49-L98 WeakPolarHBondContact CD-O 3.47Å; R49-L98 PolarHBondContact NE-O 3.46Å; R49-T100 HydrophobicContact CB-CG2 4.47Å; R49-T100 HydrophobicContact CG-CG2 3.9Å; R49-T100 PolarHBondContact NE-O 2.96Å
50V96.4Very high88.4Confident71 Ų7160 Ų6043%0.4333%0.329SS..Hα-helixtrans-65-42178.2178.90000109.6V46 P47 F53 L54V46-V50 HydrophobicContact CG1-CB 4.05Å; V46-V50 HydrophobicContact CG1-CG1 4Å; P47-V50 HydrophobicContact CB-CG2 4.32Å; P47-V50 PolarHBondContact O-N 3.29Å; V50-F53 PolarHBondContact O-N 3.06Å; V50-L54 HydrophobicContact CG1-CD1 3.72Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 WeakPolarHBondContact O-CB 3.48Å; V50-L54 WeakPolarHBondContact O-CG 3.21Å; V50-L54 PolarHBondContact O-N 2.97Å
51A95.8Very high90.4Very high0 Ų058.6 Ų58.60%032%0.317CS..Hα-helixtrans-62-53-178.500000112.5V46 P47 A48 R49 F53 Q55 F105 M110V46-A51 HydrophobicContact CB-CB 4.2Å; V46-A51 HydrophobicContact CG1-CB 4.07Å; P47-A51 PolarHBondContact O-N 3.02Å; A48-A51 PolarHBondContact O-N 3.49Å; R49-A51 VanDerWaalsContact C-N 3.31Å; A51-F53 VanDerWaalsContact C-N 3.33Å; A51-F53 PolarHBondContact O-N 2.68Å; A51-Q55 WeakPolarHBondContact O-CB 3.32Å; A51-Q55 PolarHBondContact O-N 3.03Å; A51-F105 HydrophobicContact CB-CB 3.54Å; A51-F105 HydrophobicContact CB-CD1 3.96Å; A51-F105 HydrophobicContact CB-CG 3.88Å; A51-M110 WeakPolarHBondContact CA-SD 3.17Å; A51-M110 HydrophobicContact CB-CB 4.47Å; A51-M110 HydrophobicContact CB-CG 4.21Å; A51-M110 HydrophobicContact CB-SD 3.92Å
52W96.3Very high92.5Very high34 Ų3455.7 Ų55.713%0.12929%0.288CS..Hα-helixtrans-65.2-36177-78.599.5000112.2Y33 A48 E56 Y96 S97 F105Y33-W52 HydrophobicContact CE2-CZ2 4.39Å; A48-W52 VanDerWaalsContact O-CD1 3.24Å; A48-W52 PolarHBondContact O-N 2.93Å; W52-E56 HydrophobicContact CE3-CG 4.05Å; W52-E56 WeakPolarHBondContact CZ3-OE1 3.5Å; W52-E56 WeakPolarHBondContact O-CB 3.37Å; W52-E56 WeakPolarHBondContact O-CG 3.24Å; W52-E56 PolarHBondContact O-N 3.43Å; W52-E56 VanDerWaalsContact O-N 3.12Å; W52-Y96 AromaticContact CD2-CE1 3.68Å; W52-Y96 HydrophobicContact CD2-CE1 3.68Å; W52-Y96 AromaticContact CE2-CE1 3.95Å; W52-Y96 HydrophobicContact CE3-CD1 4.41Å; W52-Y96 AromaticContact CE3-CE1 3.81Å; W52-Y96 HydrophobicContact CE3-CE1 3.81Å; W52-Y96 HydrophobicContact CG-CE1 4.05Å; W52-Y96 HydrophobicContact CH2-CE1 4.42Å; W52-Y96 HydrophobicContact CZ2-CE1 4.32Å; W52-Y96 HydrophobicContact CZ3-CE1 4.2Å; W52-S97 VanDerWaalsContact CB-OG 3.25Å; W52-S97 WeakPolarHBondContact CB-OG 3.41Å; W52-S97 PolarHBondContact O-OG 3.41Å; W52-F105 HydrophobicContact CZ2-CE2 4.35Å; W52-F105 AromaticContact NE1-CE2 3.94Å
53F98.1Very high94.3Very high51 Ų5149.3 Ų49.322%0.22425%0.247CC..Hα-helixtrans-62.6-52.6177.6-178.7-91.5000111.3R49 V50 A51 Q55 M57 T93 F94 S97 L98R49-F53 WeakPolarHBondContact O-CB 3.2Å; R49-F53 PolarHBondContact O-N 3.22Å; V50-F53 PolarHBondContact O-N 3.06Å; A51-F53 VanDerWaalsContact C-N 3.33Å; A51-F53 PolarHBondContact O-N 2.68Å; F53-Q55 VanDerWaalsContact C-N 3.35Å; F53-Q55 PolarHBondContact O-N 2.83Å; F53-M57 HydrophobicContact CE1-SD 3.83Å; F53-M57 HydrophobicContact CZ-SD 4.17Å; F53-M57 VanDerWaalsContact O-CB 3.23Å; F53-M57 WeakPolarHBondContact O-CB 3.39Å; F53-M57 PolarHBondContact O-N 3.41Å; F53-M57 VanDerWaalsContact O-N 3.14Å; F53-T93 HydrophobicContact CD2-CG2 3.83Å; F53-T93 WeakPolarHBondContact CD2-O 3.46Å; F53-T93 HydrophobicContact CE2-CG2 3.78Å; F53-T93 HydrophobicContact CG-CG2 4.48Å; F53-T93 HydrophobicContact CZ-CG2 4.41Å; F53-F94 AromaticContact CE2-CD1 3.82Å; F53-F94 HydrophobicContact CE2-CD1 3.82Å; F53-F94 AromaticContact CE2-CE1 3.66Å; F53-F94 HydrophobicContact CE2-CE1 3.66Å; F53-F94 HydrophobicContact CE2-CZ 4.41Å; F53-F94 AromaticContact CZ-CE1 3.98Å; F53-F94 HydrophobicContact CZ-CE1 3.98Å; F53-S97 PolarHBondContact N-OG 3.23Å; F53-L98 HydrophobicContact CD2-CD2 3.93Å; F53-L98 HydrophobicContact CE2-CD2 4.47Å
54L97.7Very high95.4Very high79 Ų7950.1 Ų50.141%0.41424%0.243SC..Hα-helixtrans-68.9-33.4-178.6-66.6177.3000112.8V50 P58 M110V50-L54 HydrophobicContact CG1-CD1 3.72Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 WeakPolarHBondContact O-CB 3.48Å; V50-L54 WeakPolarHBondContact O-CG 3.21Å; V50-L54 PolarHBondContact O-N 2.97Å; L54-P58 VanDerWaalsContact O-CD 3.32Å; L54-P58 WeakPolarHBondContact O-CD 3.25Å; L54-M110 HydrophobicContact CB-SD 4.22Å; L54-M110 HydrophobicContact CD1-SD 4.37Å
55Q97.3Very high95.7Very high16 Ų1645.1 Ų45.18%0.07523%0.231CC..Hα-helixtrans-66.6-45.7178.2-172-173.5-76.400112.1A51 F53 P58 M110 G114 C117A51-Q55 WeakPolarHBondContact O-CB 3.32Å; A51-Q55 PolarHBondContact O-N 3.03Å; F53-Q55 VanDerWaalsContact C-N 3.35Å; F53-Q55 PolarHBondContact O-N 2.83Å; Q55-P58 WeakPolarHBondContact O-CD 3.03Å; Q55-M110 HydrophobicContact CB-CG 4.22Å; Q55-G114 WeakPolarHBondContact O-CA 3.22Å; Q55-C117 WeakPolarHBondContact O-CB 3.46Å; Q55-C117 PolarHBondContact O-SG 2.87Å
56E97.8Very high95.8Very high17 Ų1742 Ų428%0.07922%0.216CC..Hα-helixtrans-85-27.6-171.8-59.1-61.3142.100112.8W52 P58 A59 Y89 R92 T93W52-E56 HydrophobicContact CE3-CG 4.05Å; W52-E56 WeakPolarHBondContact CZ3-OE1 3.5Å; W52-E56 WeakPolarHBondContact O-CB 3.37Å; W52-E56 WeakPolarHBondContact O-CG 3.24Å; W52-E56 PolarHBondContact O-N 3.43Å; W52-E56 VanDerWaalsContact O-N 3.12Å; E56-P58 VanDerWaalsContact C-CD 3.43Å; E56-A59 PolarHBondContact O-N 3.18Å; E56-A59 VanDerWaalsContact O-N 3.13Å; E56-Y89 WeakPolarHBondContact OE2-CE1 3.32Å; E56-R92 HydrophobicContact CB-CB 4.5Å; E56-R92 HydrophobicContact CG-CB 4.4Å; E56-T93 WeakPolarHBondContact CB-OG1 3.3Å
57M97.7Very high95.6Very high54 Ų5445.7 Ų45.727%0.26623%0.233SC..Hα-helixtrans-53.4-40.9-175.2-177.3179.873.600114.9F53 A59 L60 L61 T93F53-M57 HydrophobicContact CE1-SD 3.83Å; F53-M57 HydrophobicContact CZ-SD 4.17Å; F53-M57 VanDerWaalsContact O-CB 3.23Å; F53-M57 WeakPolarHBondContact O-CB 3.39Å; F53-M57 PolarHBondContact O-N 3.41Å; F53-M57 VanDerWaalsContact O-N 3.14Å; M57-A59 VanDerWaalsContact C-N 3.26Å; M57-A59 PolarHBondContact O-N 2.86Å; M57-L60 PolarHBondContact O-N 3.19Å; M57-L60 VanDerWaalsContact O-N 3.08Å; M57-L61 HydrophobicContact CE-CD1 4.02Å; M57-L61 HydrophobicContact CG-CD1 3.57Å; M57-L61 HydrophobicContact CG-CG 3.82Å; M57-L61 PolarHBondContact O-N 2.94Å; M57-L61 HydrophobicContact SD-CD1 3.91Å; M57-T93 HydrophobicContact CB-CG2 3.9Å; M57-T93 HydrophobicContact CG-CG2 4.41Å
58P98.1Very high95.4Very high26 Ų2648.9 Ų48.917%0.16924%0.24CC..Hα-helixtrans-58.2-34.9178.9-26.436.1000114L54 Q55 E56 L60 L61 M62 C117 F118L54-P58 VanDerWaalsContact O-CD 3.32Å; L54-P58 WeakPolarHBondContact O-CD 3.25Å; Q55-P58 WeakPolarHBondContact O-CD 3.03Å; E56-P58 VanDerWaalsContact C-CD 3.43Å; P58-L60 PolarHBondContact O-N 3.15Å; P58-L61 PolarHBondContact O-N 3.29Å; P58-M62 WeakPolarHBondContact O-CB 3.46Å; P58-M62 WeakPolarHBondContact O-CG 3.2Å; P58-M62 PolarHBondContact O-N 3.03Å; P58-C117 HydrophobicContact CB-CB 4.37Å; P58-F118 HydrophobicContact CB-CB 3.84Å
59A97.6Very high95.2Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-68.1-24.4179.300000112.6E56 M57 P63 F85 Y89 C117E56-A59 PolarHBondContact O-N 3.18Å; E56-A59 VanDerWaalsContact O-N 3.13Å; M57-A59 VanDerWaalsContact C-N 3.26Å; M57-A59 PolarHBondContact O-N 2.86Å; A59-P63 WeakPolarHBondContact O-CD 3.37Å; A59-P63 VanDerWaalsContact O-CG 3.29Å; A59-P63 WeakPolarHBondContact O-CG 3.26Å; A59-F85 WeakPolarHBondContact O-CE1 3.37Å; A59-Y89 HydrophobicContact CB-CD1 3.39Å; A59-Y89 HydrophobicContact CB-CD2 3.84Å; A59-Y89 HydrophobicContact CB-CE1 3.28Å; A59-Y89 HydrophobicContact CB-CE2 3.74Å; A59-Y89 HydrophobicContact CB-CG 3.66Å; A59-Y89 VanDerWaalsContact CB-CZ 3.45Å; A59-C117 VanDerWaalsContact CA-O 3.29Å; A59-C117 WeakPolarHBondContact CA-O 3.28Å; A59-C117 HydrophobicContact CB-CB 3.82Å; A59-C117 WeakPolarHBondContact CB-O 3.4Å; A59-C117 PolarHBondContact N-O 3.38Å
60L97.4Very high94.6Very high9 Ų947.1 Ų47.15%0.04724%0.24CC..Hα-helixtrans-84.3-46.1171.6-179.362.8000112.3M57 P58 P63 L64 C86 F90 F94M57-L60 PolarHBondContact O-N 3.19Å; M57-L60 VanDerWaalsContact O-N 3.08Å; P58-L60 PolarHBondContact O-N 3.15Å; L60-P63 WeakPolarHBondContact O-CD 3.48Å; L60-L64 HydrophobicContact CD1-CD1 4.09Å; L60-L64 HydrophobicContact CG-CD1 4.03Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L60-C86 HydrophobicContact CD1-CB 3.81Å; L60-C86 WeakPolarHBondContact CD1-O 3.42Å; L60-F90 HydrophobicContact CD1-CB 4.39Å; L60-F90 HydrophobicContact CD2-CB 4.3Å; L60-F90 HydrophobicContact CD2-CD2 4.33Å; L60-F94 HydrophobicContact CD2-CD2 4.14Å; L60-F94 HydrophobicContact CD2-CE2 3.55Å
61L97.2Very high93.4Very high85 Ų8555 Ų5545%0.44526%0.262SS..Hα-helixtrans-69.3-35.8-173.2-67.5-176.6000112.6M57 P58 L64 L65M57-L61 HydrophobicContact CE-CD1 4.02Å; M57-L61 HydrophobicContact CG-CD1 3.57Å; M57-L61 HydrophobicContact CG-CG 3.82Å; M57-L61 PolarHBondContact O-N 2.94Å; M57-L61 HydrophobicContact SD-CD1 3.91Å; P58-L61 PolarHBondContact O-N 3.29Å; L61-L64 PolarHBondContact O-N 3.09Å; L61-L65 WeakPolarHBondContact O-CB 3.38Å; L61-L65 PolarHBondContact O-N 2.94Å
62M96.1Very high91.9Very high26 Ų2660.8 Ų60.813%0.12829%0.289CS..Hα-helixtrans-62.4-52.4-177.6-76.2-51.4-5300113.2P58 L64 L65 L66 F118 F122P58-M62 WeakPolarHBondContact O-CB 3.46Å; P58-M62 WeakPolarHBondContact O-CG 3.2Å; P58-M62 PolarHBondContact O-N 3.03Å; M62-L64 VanDerWaalsContact C-N 3.3Å; M62-L64 PolarHBondContact O-N 3.33Å; M62-L65 PolarHBondContact O-N 3.31Å; M62-L66 VanDerWaalsContact O-CG 3.31Å; M62-L66 WeakPolarHBondContact O-CG 3.46Å; M62-L66 PolarHBondContact O-N 3.07Å; M62-F118 HydrophobicContact CE-CE2 4.16Å; M62-F118 HydrophobicContact CG-CD2 3.73Å; M62-F118 HydrophobicContact CG-CE2 3.97Å; M62-F118 HydrophobicContact SD-CD2 3.78Å; M62-F118 HydrophobicContact SD-CE2 3.41Å; M62-F118 WeakPolarHBondContact SD-CE2 3.15Å; M62-F118 HydrophobicContact SD-CZ 4.32Å; M62-F122 HydrophobicContact CE-CB 4.24Å; M62-F122 HydrophobicContact CE-CD2 4.01Å
63P94Very high90.2Very high0 Ų070.3 Ų70.30%033%0.326CS..Hα-helixtrans-57.3-39.7173.9-24.832.1000113.7A59 L60 L66 M67 L82 F85 G121A59-P63 WeakPolarHBondContact O-CD 3.37Å; A59-P63 VanDerWaalsContact O-CG 3.29Å; A59-P63 WeakPolarHBondContact O-CG 3.26Å; L60-P63 WeakPolarHBondContact O-CD 3.48Å; P63-L66 PolarHBondContact O-N 2.83Å; P63-M67 WeakPolarHBondContact O-CB 3.37Å; P63-M67 PolarHBondContact O-N 3.44Å; P63-L82 HydrophobicContact CB-CD1 3.86Å; P63-F85 HydrophobicContact CG-CD1 3.98Å; P63-F85 HydrophobicContact CG-CE1 3.82Å; P63-G121 WeakPolarHBondContact CG-O 3.26Å
64L93.6Very high88.8Confident69 Ų6970.1 Ų70.136%0.36133%0.331SS..Hα-helixtrans-67.5-42179.7-67.6177.8000112.3L60 L61 M62 M67 H68L60-L64 HydrophobicContact CD1-CD1 4.09Å; L60-L64 HydrophobicContact CG-CD1 4.03Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L61-L64 PolarHBondContact O-N 3.09Å; M62-L64 VanDerWaalsContact C-N 3.3Å; M62-L64 PolarHBondContact O-N 3.33Å; L64-M67 HydrophobicContact CD2-CE 3.95Å; L64-M67 PolarHBondContact O-N 3.45Å; L64-H68 PolarHBondContact O-N 3.44Å
65L93.5Very high88Confident89 Ų8969.4 Ų69.447%0.46633%0.33SS..Hα-helixtrans-62.6-47.3175178.963.3000110.7L61 M62 M67 H68 L69L61-L65 WeakPolarHBondContact O-CB 3.38Å; L61-L65 PolarHBondContact O-N 2.94Å; M62-L65 PolarHBondContact O-N 3.31Å; L65-M67 VanDerWaalsContact C-N 3.32Å; L65-M67 PolarHBondContact O-N 2.9Å; L65-H68 PolarHBondContact O-N 2.95Å; L65-L69 HydrophobicContact CD1-CD1 4.02Å; L65-L69 HydrophobicContact CD1-CG 4.21Å; L65-L69 HydrophobicContact CG-CD1 3.91Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.42Å; L65-L69 VanDerWaalsContact O-CG 3.27Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 2.84Å
66L92.1Very high87.2Confident11 Ų1175.4 Ų75.46%0.05836%0.36CS..Hα-helixtrans-60.9-42177.1-69.3173.4000111.5M62 P63 H68 L69 S70 F122 H126 L129M62-L66 VanDerWaalsContact O-CG 3.31Å; M62-L66 WeakPolarHBondContact O-CG 3.46Å; M62-L66 PolarHBondContact O-N 3.07Å; P63-L66 PolarHBondContact O-N 2.83Å; L66-H68 PolarHBondContact O-N 3.17Å; L66-L69 PolarHBondContact O-N 2.96Å; L66-S70 VanDerWaalsContact O-CB 3.23Å; L66-S70 WeakPolarHBondContact O-CB 3.19Å; L66-S70 PolarHBondContact O-N 3.3Å; L66-S70 PolarHBondContact O-OG 3.49Å; L66-F122 HydrophobicContact CD1-CD2 4.06Å; L66-F122 HydrophobicContact CD2-CE2 4.44Å; L66-H126 HydrophobicContact CD1-CB 4.08Å; L66-L129 HydrophobicContact CB-CD1 3.52Å
67M89.8Confident86.5Confident96 Ų9674.9 Ų74.947%0.47336%0.359SS..Hα-helixtrans-59.7-46.8176.2-174.7177.467.600111P63 L64 L65 L69 S70 L82 L129P63-M67 WeakPolarHBondContact O-CB 3.37Å; P63-M67 PolarHBondContact O-N 3.44Å; L64-M67 HydrophobicContact CD2-CE 3.95Å; L64-M67 PolarHBondContact O-N 3.45Å; L65-M67 VanDerWaalsContact C-N 3.32Å; L65-M67 PolarHBondContact O-N 2.9Å; M67-L69 PolarHBondContact O-N 3.35Å; M67-S70 PolarHBondContact O-N 3.5Å; M67-S70 PolarHBondContact O-OG 2.96Å; M67-L82 HydrophobicContact CB-CD2 4.37Å; M67-L82 HydrophobicContact CG-CD2 4.43Å; M67-L82 HydrophobicContact SD-CD2 4.06Å; M67-L129 HydrophobicContact CB-CD1 4.25Å; M67-L129 HydrophobicContact CB-CD2 4.46Å
68H89Confident86.1Confident153 Ų15374.9 Ų74.971%0.70836%0.356SS*.Hα-helixtrans-62.2-41.6177.8-173.870000112.7L64 L65 L66L64-H68 PolarHBondContact O-N 3.44Å; L65-H68 PolarHBondContact O-N 2.95Å; L66-H68 PolarHBondContact O-N 3.17Å
69L89Confident85.7Confident93 Ų9374.4 Ų74.449%0.48735%0.354SS..Hα-helixtrans-74.5-30.1-179.9-67174000113.4M1 L65 L66 M67 R71M1-L69 HydrophobicContact CE-CB 3.82Å; M1-L69 HydrophobicContact CE-CD1 4.43Å; L65-L69 HydrophobicContact CD1-CD1 4.02Å; L65-L69 HydrophobicContact CD1-CG 4.21Å; L65-L69 HydrophobicContact CG-CD1 3.91Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.42Å; L65-L69 VanDerWaalsContact O-CG 3.27Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 2.84Å; L66-L69 PolarHBondContact O-N 2.96Å; M67-L69 PolarHBondContact O-N 3.35Å; L69-R71 VanDerWaalsContact C-N 3.3Å; L69-R71 PolarHBondContact O-N 3.35Å
70S81.9Confident85.4Confident11 Ų1177 Ų778%0.07737%0.367CS..Hα-helixtrans-66.9-27-172.567.70000114.1L66 M67 Q72L66-S70 VanDerWaalsContact O-CB 3.23Å; L66-S70 WeakPolarHBondContact O-CB 3.19Å; L66-S70 PolarHBondContact O-N 3.3Å; L66-S70 PolarHBondContact O-OG 3.49Å; M67-S70 PolarHBondContact O-N 3.5Å; M67-S70 PolarHBondContact O-OG 2.96Å; S70-Q72 PolarHBondContact O-N 3.02Å
71R71.4Confident85.3Confident237 Ų23776.6 Ų76.689%0.89437%0.365SS*.  trans47.413.1-174.6-67-173172.6179.9-1.5115L69L69-R71 VanDerWaalsContact C-N 3.3Å; L69-R71 PolarHBondContact O-N 3.35Å
72Q64.7Low85.2Confident120 Ų12073 Ų7356%0.56135%0.346SS*.  trans-101.4134.4-179.4-90.1177.4-34.200109.5S70 S74S70-Q72 PolarHBondContact O-N 3.02Å; Q72-S74 PolarHBondContact O-N 3.44Å
73Y60.8Low85.1Confident235 Ų23578.5 Ų78.592%0.92237%0.37SS*.  trans-72115.5169.6-68.2-81.1000108.7
74S67.8Low85.2Confident47 Ų4778.5 Ų78.533%0.32937%0.37SS..  trans-72142.3171.367.30000109.5Q72 A79Q72-S74 PolarHBondContact O-N 3.44Å; S74-A79 WeakPolarHBondContact OG-CA 3.47Å; S74-A79 WeakPolarHBondContact OG-CB 3.13Å
75T80.3Confident85.4Confident64 Ų6475.2 Ų75.239%0.39335%0.353SS..  trans-55.715116860.50000110.3G77 R78 A79T75-G77 PolarHBondContact O-N 3.24Å; T75-G77 VanDerWaalsContact O-N 3.11Å; T75-R78 PolarHBondContact O-N 2.86Å; T75-R78 PolarHBondContact OG1-NE 3.32Å; T75-A79 PolarHBondContact O-N 2.91Å
76M81.7Confident85.6Confident142 Ų14271.7 Ų71.770%0.734%0.335SS*.Hα-helixtrans-50.2-42.5-176.6-174.666.777.800111.9R78 A79 I80M76-R78 PolarHBondContact O-N 2.79Å; M76-A79 WeakPolarHBondContact O-CB 3.26Å; M76-A79 PolarHBondContact O-N 2.71Å; M76-I80 HydrophobicContact CG-CD1 3.97Å; M76-I80 VanDerWaalsContact O-CG1 3.31Å; M76-I80 WeakPolarHBondContact O-CG1 3.31Å; M76-I80 PolarHBondContact O-N 3.11Å; M76-I80 HydrophobicContact SD-CD1 4.47Å
77G83.6Confident85.9Confident5 Ų574.9 Ų74.95%0.05235%0.352CS..Hα-helixtrans-59.2-45.8177.400000113.5T75 L81 Y144T75-G77 PolarHBondContact O-N 3.24Å; T75-G77 VanDerWaalsContact O-N 3.11Å; G77-L81 WeakPolarHBondContact O-CG 3.41Å; G77-L81 PolarHBondContact O-N 3.28Å; G77-Y144 WeakPolarHBondContact CA-OH 3.4Å; G77-Y144 PolarHBondContact O-OH 2.91Å
78R89.3Confident86.3Confident54 Ų5470.5 Ų70.520%0.20433%0.33CS..Hα-helixtrans-68.1-39.2177.2-65.8175.3-150.8179.44.5111.7T75 M76 I80 L81 L82 A132 F134T75-R78 PolarHBondContact O-N 2.86Å; T75-R78 PolarHBondContact OG1-NE 3.32Å; M76-R78 PolarHBondContact O-N 2.79Å; R78-I80 VanDerWaalsContact C-N 3.31Å; R78-I80 PolarHBondContact O-N 3.02Å; R78-L81 PolarHBondContact O-N 3.49Å; R78-L82 PolarHBondContact O-N 3.45Å; R78-A132 PolarHBondContact NE-O 2.85Å; R78-A132 VanDerWaalsContact NE-O 3.13Å; R78-A132 PolarHBondContact NH1-O 3.38Å; R78-A132 PolarHBondContact NH2-O 2.88Å; R78-F134 HydrophobicContact CG-CD2 3.56Å; R78-F134 HydrophobicContact CG-CE2 4.13Å
79A89.1Confident86.8Confident16 Ų1663.7 Ų63.713%0.13230%0.298CS..Hα-helixtrans-60.5-42.7179.200000111.4S74 T75 M76 K83S74-A79 WeakPolarHBondContact OG-CA 3.47Å; S74-A79 WeakPolarHBondContact OG-CB 3.13Å; T75-A79 PolarHBondContact O-N 2.91Å; M76-A79 WeakPolarHBondContact O-CB 3.26Å; M76-A79 PolarHBondContact O-N 2.71Å; A79-K83 WeakPolarHBondContact O-CB 3.5Å; A79-K83 VanDerWaalsContact O-CG 3.23Å; A79-K83 WeakPolarHBondContact O-CG 3.22Å; A79-K83 PolarHBondContact O-N 3.5Å
80I92.1Very high87.2Confident55 Ų5564.1 Ų64.128%0.28230%0.297SS..Hα-helixtrans-61.6-48177.5-70.3165.6000110.2M76 R78 L82 K83 T84 Y144 L148M76-I80 HydrophobicContact CG-CD1 3.97Å; M76-I80 VanDerWaalsContact O-CG1 3.31Å; M76-I80 WeakPolarHBondContact O-CG1 3.31Å; M76-I80 PolarHBondContact O-N 3.11Å; M76-I80 HydrophobicContact SD-CD1 4.47Å; R78-I80 VanDerWaalsContact C-N 3.31Å; R78-I80 PolarHBondContact O-N 3.02Å; I80-L82 PolarHBondContact O-N 2.86Å; I80-K83 CarbonylContact O-C 3.58Å; I80-K83 WeakPolarHBondContact O-CB 3.41Å; I80-K83 PolarHBondContact O-N 3.48Å; I80-T84 WeakPolarHBondContact O-CB 3.45Å; I80-T84 PolarHBondContact O-N 3.05Å; I80-T84 PolarHBondContact O-OG1 3.23Å; I80-Y144 WeakPolarHBondContact CB-OH 3.46Å; I80-L148 HydrophobicContact CG2-CD1 4Å; I80-L148 HydrophobicContact CG2-CD2 4.3Å
81L94.6Very high88Confident0 Ų065 Ų650%030%0.299CS..Hα-helixtrans-64.4-40.3-179.1-55.6-175.8000112.8G77 R78 K83 T84 F85 L128 F134 Y144 L148 V205 T206G77-L81 WeakPolarHBondContact O-CG 3.41Å; G77-L81 PolarHBondContact O-N 3.28Å; R78-L81 PolarHBondContact O-N 3.49Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-T84 WeakPolarHBondContact O-CB 3.09Å; L81-T84 PolarHBondContact O-N 2.87Å; L81-F85 PolarHBondContact O-N 3.48Å; L81-L128 HydrophobicContact CB-CD1 3.88Å; L81-L128 HydrophobicContact CB-CD2 4.29Å; L81-L128 HydrophobicContact CD1-CD2 4.27Å; L81-F134 HydrophobicContact CD1-CD2 4.34Å; L81-F134 HydrophobicContact CD1-CE2 3.59Å; L81-F134 HydrophobicContact CD1-CZ 4.03Å; L81-Y144 HydrophobicContact CD1-CE2 3.99Å; L81-Y144 HydrophobicContact CD2-CE2 3.91Å; L81-Y144 HydrophobicContact CG-CE2 4.06Å; L81-L148 HydrophobicContact CD2-CD2 3.85Å; L81-L148 HydrophobicContact CD2-CG 4.48Å; L81-V205 HydrophobicContact CD1-CG2 4.05Å; L81-V205 HydrophobicContact CD2-CB 4.21Å; L81-V205 HydrophobicContact CD2-CG1 3.73Å; L81-V205 HydrophobicContact CD2-CG2 3.35Å; L81-V205 HydrophobicContact CG-CG2 4.31Å; L81-T206 HydrophobicContact CD1-CG2 4.02Å
82L94.5Very high89.3Confident9 Ų954.1 Ų54.15%0.04726%0.258CS..Hα-helixtrans-63-43.2175.4-167.766.9000111P63 M67 R78 I80 F85 C86 L128 L129P63-L82 HydrophobicContact CB-CD1 3.86Å; M67-L82 HydrophobicContact CB-CD2 4.37Å; M67-L82 HydrophobicContact CG-CD2 4.43Å; M67-L82 HydrophobicContact SD-CD2 4.06Å; R78-L82 PolarHBondContact O-N 3.45Å; I80-L82 PolarHBondContact O-N 2.86Å; L82-F85 PolarHBondContact O-N 3.49Å; L82-C86 WeakPolarHBondContact O-CB 3.13Å; L82-C86 PolarHBondContact O-N 2.9Å; L82-C86 PolarHBondContact O-SG 3.29Å; L82-L128 HydrophobicContact CB-CD1 4.2Å; L82-L128 HydrophobicContact CD1-CB 4.47Å; L82-L128 HydrophobicContact CD1-CD1 4.15Å; L82-L129 HydrophobicContact CD2-CD1 4.42Å; L82-L129 HydrophobicContact CD2-CD2 3.86Å; L82-L129 HydrophobicContact CD2-CG 4.16Å
83K94.8Very high90.9Very high142 Ų14248.4 Ų48.462%0.61723%0.231SC*.Hα-helixtrans-63.2-40.4174.3-74.5172.3-177.2179.40111.8A79 I80 L81 C86 L87A79-K83 WeakPolarHBondContact O-CB 3.5Å; A79-K83 VanDerWaalsContact O-CG 3.23Å; A79-K83 WeakPolarHBondContact O-CG 3.22Å; A79-K83 PolarHBondContact O-N 3.5Å; I80-K83 CarbonylContact O-C 3.58Å; I80-K83 WeakPolarHBondContact O-CB 3.41Å; I80-K83 PolarHBondContact O-N 3.48Å; L81-K83 VanDerWaalsContact C-N 3.34Å; K83-C86 PolarHBondContact O-N 2.9Å; K83-L87 WeakPolarHBondContact O-CB 3.44Å; K83-L87 PolarHBondContact O-N 3.14Å
84T96.7Very high92.7Very high1 Ų140.9 Ų40.91%0.00620%0.204CC..Hα-helixtrans-60.4-47.6176.8-630000111I80 L81 L87 H88 L148 F151 Y152I80-T84 WeakPolarHBondContact O-CB 3.45Å; I80-T84 PolarHBondContact O-N 3.05Å; I80-T84 PolarHBondContact O-OG1 3.23Å; L81-T84 WeakPolarHBondContact O-CB 3.09Å; L81-T84 PolarHBondContact O-N 2.87Å; T84-L87 PolarHBondContact O-N 2.98Å; T84-H88 PolarHBondContact O-N 3.28Å; T84-H88 VanDerWaalsContact O-N 3.14Å; T84-L148 HydrophobicContact CG2-CD2 4.45Å; T84-F151 HydrophobicContact CG2-CD1 3.31Å; T84-F151 HydrophobicContact CG2-CD2 4.02Å; T84-F151 HydrophobicContact CG2-CE1 3.18Å; T84-F151 HydrophobicContact CG2-CE2 3.9Å; T84-F151 HydrophobicContact CG2-CG 3.75Å; T84-F151 HydrophobicContact CG2-CZ 3.49Å; T84-F151 VanDerWaalsContact CG2-CZ 3.49Å; T84-Y152 PolarHBondContact OG1-OH 3.44Å; T84-Y152 VanDerWaalsContact OG1-OH 3.11Å
85F97.9Very high94.1Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-60.7-48174.5-173.9-92.3000112.2A59 P63 L81 L82 L87 H88 Y89 Q124 W199 Y202 I214A59-F85 WeakPolarHBondContact O-CE1 3.37Å; P63-F85 HydrophobicContact CG-CD1 3.98Å; P63-F85 HydrophobicContact CG-CE1 3.82Å; L81-F85 PolarHBondContact O-N 3.48Å; L82-F85 PolarHBondContact O-N 3.49Å; F85-L87 VanDerWaalsContact C-N 3.31Å; F85-L87 PolarHBondContact O-N 3.4Å; F85-H88 PolarHBondContact O-N 3.21Å; F85-Y89 AromaticContact CD1-CD2 3.96Å; F85-Y89 HydrophobicContact CD1-CD2 3.96Å; F85-Y89 HydrophobicContact CD1-CE2 4.35Å; F85-Y89 HydrophobicContact CD2-CD2 4.47Å; F85-Y89 HydrophobicContact CD2-CE2 4.26Å; F85-Y89 AromaticContact CE1-CD2 3.58Å; F85-Y89 HydrophobicContact CE1-CD2 3.58Å; F85-Y89 AromaticContact CE1-CE2 3.67Å; F85-Y89 HydrophobicContact CE1-CE2 3.67Å; F85-Y89 HydrophobicContact CE2-CD2 4.11Å; F85-Y89 AromaticContact CE2-CE2 3.55Å; F85-Y89 HydrophobicContact CE2-CE2 3.55Å; F85-Y89 HydrophobicContact CG-CD2 4.41Å; F85-Y89 AromaticContact CZ-CD2 3.67Å; F85-Y89 HydrophobicContact CZ-CD2 3.67Å; F85-Y89 AromaticContact CZ-CE2 3.23Å; F85-Y89 HydrophobicContact CZ-CE2 3.23Å; F85-Y89 PolarHBondContact O-N 3.36Å; F85-Q124 HydrophobicContact CD2-CB 4.25Å; F85-Q124 HydrophobicContact CD2-CG 4.26Å; F85-Q124 HydrophobicContact CE1-CB 4.35Å; F85-Q124 HydrophobicContact CE2-CB 3.89Å; F85-Q124 HydrophobicContact CE2-CG 3.57Å; F85-Q124 HydrophobicContact CZ-CB 3.92Å; F85-Q124 HydrophobicContact CZ-CG 3.82Å; F85-W199 AromaticContact CD2-CH2 3.89Å; F85-W199 HydrophobicContact CD2-CH2 3.89Å; F85-W199 AromaticContact CD2-CZ3 3.76Å; F85-W199 HydrophobicContact CD2-CZ3 3.76Å; F85-W199 AromaticContact CE2-CH2 3.78Å; F85-W199 HydrophobicContact CE2-CH2 3.78Å; F85-W199 AromaticContact CE2-CZ3 3.88Å; F85-W199 HydrophobicContact CE2-CZ3 3.88Å; F85-Y202 HydrophobicContact CB-CE2 4.12Å; F85-Y202 HydrophobicContact CD2-CE1 4.25Å; F85-Y202 HydrophobicContact CD2-CE2 4.49Å; F85-Y202 AromaticContact CD2-CZ 3.98Å; F85-I214 HydrophobicContact CE2-CD1 4.12Å
86C97.6Very high94.9Very high15 Ų1540 Ų4010%0.10119%0.192CC..Hα-helixtrans-63.9-35177.3-72.70000112.4L60 L82 K83 Y89 F90L60-C86 HydrophobicContact CD1-CB 3.81Å; L60-C86 WeakPolarHBondContact CD1-O 3.42Å; L82-C86 WeakPolarHBondContact O-CB 3.13Å; L82-C86 PolarHBondContact O-N 2.9Å; L82-C86 PolarHBondContact O-SG 3.29Å; K83-C86 PolarHBondContact O-N 2.9Å; C86-Y89 PolarHBondContact O-N 2.86Å; C86-F90 WeakPolarHBondContact O-CB 3.39Å; C86-F90 PolarHBondContact O-N 3.38Å
87L98.3Very high95.6Very high78 Ų7833.3 Ų33.341%0.40816%0.159SC..Hα-helixtrans-65.2-44.1178.6177.863.7000111.1K83 T84 F85 F90 H91 Y152 M155K83-L87 WeakPolarHBondContact O-CB 3.44Å; K83-L87 PolarHBondContact O-N 3.14Å; T84-L87 PolarHBondContact O-N 2.98Å; F85-L87 VanDerWaalsContact C-N 3.31Å; F85-L87 PolarHBondContact O-N 3.4Å; L87-F90 PolarHBondContact O-N 3.49Å; L87-H91 PolarHBondContact O-N 3.38Å; L87-Y152 HydrophobicContact CD2-CE1 4.06Å; L87-M155 HydrophobicContact CD2-SD 4.47Å; L87-M155 HydrophobicContact CG-CE 4.04Å
88H98.4Very high96.2Very high3 Ų337 Ų371%0.01418%0.177CC..Hα-helixtrans-55.1-55.7172.2173.290.3000110.8T84 F85 F90 H91 R92 F151 E198 W199T84-H88 PolarHBondContact O-N 3.28Å; T84-H88 VanDerWaalsContact O-N 3.14Å; F85-H88 PolarHBondContact O-N 3.21Å; H88-F90 VanDerWaalsContact C-N 3.31Å; H88-F90 PolarHBondContact O-N 2.75Å; H88-H91 PolarHBondContact O-N 3.43Å; H88-H91 VanDerWaalsContact O-N 3.14Å; H88-R92 VanDerWaalsContact NE2-CG 3.35Å; H88-R92 WeakPolarHBondContact NE2-CG 3.24Å; H88-R92 WeakPolarHBondContact O-CG 3.49Å; H88-R92 PolarHBondContact O-N 3.48Å; H88-F151 HydrophobicContact CB-CZ 4.11Å; H88-E198 IonicContact CE1-OE1 3.71Å; H88-E198 IonicContact CE1-OE2 3.4Å; H88-E198 PolarHBondContact CE1-OE2 3.14Å; H88-E198 IonicContact CG-OE1 3.4Å; H88-E198 IonicContact ND1-OE1 2.68Å; H88-E198 PolarHBondContact ND1-OE1 3.35Å; H88-E198 IonicContact ND1-OE2 3.11Å; H88-E198 PolarHBondContact ND1-OE2 3.26Å; H88-E198 VanDerWaalsContact ND1-OE2 3.11Å; H88-W199 AromaticContact CD2-CH2 3.81Å; H88-W199 AromaticContact CD2-CZ2 3.54Å; H88-W199 AromaticContact CE1-CZ2 3.89Å; H88-W199 AromaticContact NE2-CZ2 3.45Å; H88-W199 WeakPolarHBondContact NE2-CZ2 3.43Å
89Y98.4Very high96.4Very high10 Ų1038.2 Ų38.24%0.03919%0.187CC..Hα-helixtrans-70-26.8-176.8-81.5-71.7000113.6E56 A59 F85 C86 T93 N120 W199E56-Y89 WeakPolarHBondContact OE2-CE1 3.32Å; A59-Y89 HydrophobicContact CB-CD1 3.39Å; A59-Y89 HydrophobicContact CB-CD2 3.84Å; A59-Y89 HydrophobicContact CB-CE1 3.28Å; A59-Y89 HydrophobicContact CB-CE2 3.74Å; A59-Y89 HydrophobicContact CB-CG 3.66Å; A59-Y89 VanDerWaalsContact CB-CZ 3.45Å; F85-Y89 AromaticContact CD1-CD2 3.96Å; F85-Y89 HydrophobicContact CD1-CD2 3.96Å; F85-Y89 HydrophobicContact CD1-CE2 4.35Å; F85-Y89 HydrophobicContact CD2-CD2 4.47Å; F85-Y89 HydrophobicContact CD2-CE2 4.26Å; F85-Y89 AromaticContact CE1-CD2 3.58Å; F85-Y89 HydrophobicContact CE1-CD2 3.58Å; F85-Y89 AromaticContact CE1-CE2 3.67Å; F85-Y89 HydrophobicContact CE1-CE2 3.67Å; F85-Y89 HydrophobicContact CE2-CD2 4.11Å; F85-Y89 AromaticContact CE2-CE2 3.55Å; F85-Y89 HydrophobicContact CE2-CE2 3.55Å; F85-Y89 HydrophobicContact CG-CD2 4.41Å; F85-Y89 AromaticContact CZ-CD2 3.67Å; F85-Y89 HydrophobicContact CZ-CD2 3.67Å; F85-Y89 AromaticContact CZ-CE2 3.23Å; F85-Y89 HydrophobicContact CZ-CE2 3.23Å; F85-Y89 PolarHBondContact O-N 3.36Å; C86-Y89 PolarHBondContact O-N 2.86Å; Y89-T93 WeakPolarHBondContact O-CB 3.29Å; Y89-T93 PolarHBondContact O-N 3.12Å; Y89-T93 PolarHBondContact O-OG1 3.4Å; Y89-N120 PolarHBondContact OH-ND2 2.91Å; Y89-N120 VanDerWaalsContact OH-ND2 3.07Å; Y89-W199 HydrophobicContact CD2-CH2 4.46Å; Y89-W199 AromaticContact CE2-CH2 3.73Å; Y89-W199 HydrophobicContact CE2-CH2 3.73Å; Y89-W199 HydrophobicContact CE2-CZ2 4.06Å
90F98.5Very high96.6Very high103 Ų10338.1 Ų38.145%0.45219%0.185SC..Hα-helixtrans-62.9-48.9169.2178.7-90.6000110.6L60 C86 L87 H88 T93 F94L60-F90 HydrophobicContact CD1-CB 4.39Å; L60-F90 HydrophobicContact CD2-CB 4.3Å; L60-F90 HydrophobicContact CD2-CD2 4.33Å; C86-F90 WeakPolarHBondContact O-CB 3.39Å; C86-F90 PolarHBondContact O-N 3.38Å; L87-F90 PolarHBondContact O-N 3.49Å; H88-F90 VanDerWaalsContact C-N 3.31Å; H88-F90 PolarHBondContact O-N 2.75Å; F90-T93 PolarHBondContact O-N 3.14Å; F90-F94 AromaticContact CD2-CD2 3.46Å; F90-F94 HydrophobicContact CD2-CD2 3.46Å; F90-F94 VanDerWaalsContact CD2-CD2 3.46Å; F90-F94 AromaticContact CD2-CE2 3.95Å; F90-F94 HydrophobicContact CD2-CE2 3.95Å; F90-F94 HydrophobicContact CD2-CG 4.37Å; F90-F94 HydrophobicContact CE2-CB 4.34Å; F90-F94 AromaticContact CE2-CD2 3.57Å; F90-F94 HydrophobicContact CE2-CD2 3.57Å; F90-F94 HydrophobicContact CE2-CE2 4.12Å; F90-F94 HydrophobicContact CE2-CG 4.11Å; F90-F94 HydrophobicContact CG-CD2 4.16Å; F90-F94 HydrophobicContact CZ-CB 4.31Å; F90-F94 HydrophobicContact CZ-CD2 4.36Å; F90-F94 WeakPolarHBondContact O-CB 3.45Å; F90-F94 PolarHBondContact O-N 2.84Å
91H98.5Very high96.5Very high28 Ų2839.2 Ų39.213%0.1319%0.186CC..Iπ-helixtrans-60.9-48.1174.8175.8-86.4000111.3L87 H88 T93 V95 Y96 M155 I159L87-H91 PolarHBondContact O-N 3.38Å; H88-H91 PolarHBondContact O-N 3.43Å; H88-H91 VanDerWaalsContact O-N 3.14Å; H91-T93 PolarHBondContact O-N 3.36Å; H91-V95 CarbonylContact O-C 3.49Å; H91-V95 WeakPolarHBondContact O-CA 3.19Å; H91-V95 VanDerWaalsContact O-CB 3.28Å; H91-V95 WeakPolarHBondContact O-CB 3.4Å; H91-V95 PolarHBondContact O-N 2.85Å; H91-Y96 PolarHBondContact O-N 3.02Å; H91-M155 HydrophobicContact CB-CE 3.99Å; H91-I159 VanDerWaalsContact CE1-CG1 3.46Å; H91-I159 WeakPolarHBondContact CE1-CG1 3.23Å
92R98Very high96.1Very high9 Ų940.9 Ų40.93%0.03420%0.202CC..Iπ-helixtrans-57.2-47.6177.7-67.2-53.9-59.7176.2-1111.8E56 H88 Y96 S97 D162E56-R92 HydrophobicContact CB-CB 4.5Å; E56-R92 HydrophobicContact CG-CB 4.4Å; H88-R92 VanDerWaalsContact NE2-CG 3.35Å; H88-R92 WeakPolarHBondContact NE2-CG 3.24Å; H88-R92 WeakPolarHBondContact O-CG 3.49Å; H88-R92 PolarHBondContact O-N 3.48Å; R92-Y96 VanDerWaalsContact NH2-CD1 3.28Å; R92-Y96 WeakPolarHBondContact O-CB 3.33Å; R92-S97 PolarHBondContact O-N 2.73Å; R92-S97 PolarHBondContact O-OG 2.84Å; R92-D162 IonicContact CZ-OD2 3.82Å; R92-D162 IonicContact NH1-OD2 2.68Å; R92-D162 PolarHBondContact NH1-OD2 3.38Å
93T97.8Very high95.8Very high0 Ų042.3 Ų42.30%021%0.209CC..Iπ-helixtrans-74.9-52-174.4-55.10000112.6F53 E56 M57 Y89 F90 H91 S97F53-T93 HydrophobicContact CD2-CG2 3.83Å; F53-T93 WeakPolarHBondContact CD2-O 3.46Å; F53-T93 HydrophobicContact CE2-CG2 3.78Å; F53-T93 HydrophobicContact CG-CG2 4.48Å; F53-T93 HydrophobicContact CZ-CG2 4.41Å; E56-T93 WeakPolarHBondContact CB-OG1 3.3Å; M57-T93 HydrophobicContact CB-CG2 3.9Å; M57-T93 HydrophobicContact CG-CG2 4.41Å; Y89-T93 WeakPolarHBondContact O-CB 3.29Å; Y89-T93 PolarHBondContact O-N 3.12Å; Y89-T93 PolarHBondContact O-OG1 3.4Å; F90-T93 PolarHBondContact O-N 3.14Å; H91-T93 PolarHBondContact O-N 3.36Å; T93-S97 VanDerWaalsContact O-CB 3.26Å; T93-S97 WeakPolarHBondContact O-CB 3.49Å
94F98.1Very high95.5Very high78 Ų7838.5 Ų38.534%0.34220%0.198SC..Iπ-helixtrans-96.7-22.2-170.1-67.2-77000113.9F53 L60 F90 L98F53-F94 AromaticContact CE2-CD1 3.82Å; F53-F94 HydrophobicContact CE2-CD1 3.82Å; F53-F94 AromaticContact CE2-CE1 3.66Å; F53-F94 HydrophobicContact CE2-CE1 3.66Å; F53-F94 HydrophobicContact CE2-CZ 4.41Å; F53-F94 AromaticContact CZ-CE1 3.98Å; F53-F94 HydrophobicContact CZ-CE1 3.98Å; L60-F94 HydrophobicContact CD2-CD2 4.14Å; L60-F94 HydrophobicContact CD2-CE2 3.55Å; F90-F94 AromaticContact CD2-CD2 3.46Å; F90-F94 HydrophobicContact CD2-CD2 3.46Å; F90-F94 VanDerWaalsContact CD2-CD2 3.46Å; F90-F94 AromaticContact CD2-CE2 3.95Å; F90-F94 HydrophobicContact CD2-CE2 3.95Å; F90-F94 HydrophobicContact CD2-CG 4.37Å; F90-F94 HydrophobicContact CE2-CB 4.34Å; F90-F94 AromaticContact CE2-CD2 3.57Å; F90-F94 HydrophobicContact CE2-CD2 3.57Å; F90-F94 HydrophobicContact CE2-CE2 4.12Å; F90-F94 HydrophobicContact CE2-CG 4.11Å; F90-F94 HydrophobicContact CG-CD2 4.16Å; F90-F94 HydrophobicContact CZ-CB 4.31Å; F90-F94 HydrophobicContact CZ-CD2 4.36Å; F90-F94 WeakPolarHBondContact O-CB 3.45Å; F90-F94 PolarHBondContact O-N 2.84Å; F94-L98 WeakPolarHBondContact O-CD1 2.76Å; F94-L98 VanDerWaalsContact O-CG 3.26Å; F94-L98 WeakPolarHBondContact O-CG 3.41Å
95V97.9Very high95.2Very high50 Ų5038.7 Ų38.730%0.30320%0.199SC..Iπ-helixtrans-103.4-60-179.2-174.90000110.5H91 L99H91-V95 CarbonylContact O-C 3.49Å; H91-V95 WeakPolarHBondContact O-CA 3.19Å; H91-V95 VanDerWaalsContact O-CB 3.28Å; H91-V95 WeakPolarHBondContact O-CB 3.4Å; H91-V95 PolarHBondContact O-N 2.85Å; V95-L99 HydrophobicContact CG1-CD1 3.96Å; V95-L99 VanDerWaalsContact O-CB 3.27Å; V95-L99 WeakPolarHBondContact O-CB 3.25Å; V95-L99 WeakPolarHBondContact O-CD1 3.17Å; V95-L99 WeakPolarHBondContact O-CG 3.49Å; V95-L99 PolarHBondContact O-N 2.82Å
96Y97.3Very high94.9Very high43 Ų4339 Ų3917%0.16920%0.202CC..Iπ-helixtrans-64.2-52.7-177.5171.5-89.3000111.6W52 H91 R92 L98 L99 T100 D162W52-Y96 AromaticContact CD2-CE1 3.68Å; W52-Y96 HydrophobicContact CD2-CE1 3.68Å; W52-Y96 AromaticContact CE2-CE1 3.95Å; W52-Y96 HydrophobicContact CE3-CD1 4.41Å; W52-Y96 AromaticContact CE3-CE1 3.81Å; W52-Y96 HydrophobicContact CE3-CE1 3.81Å; W52-Y96 HydrophobicContact CG-CE1 4.05Å; W52-Y96 HydrophobicContact CH2-CE1 4.42Å; W52-Y96 HydrophobicContact CZ2-CE1 4.32Å; W52-Y96 HydrophobicContact CZ3-CE1 4.2Å; H91-Y96 PolarHBondContact O-N 3.02Å; R92-Y96 VanDerWaalsContact NH2-CD1 3.28Å; R92-Y96 WeakPolarHBondContact O-CB 3.33Å; Y96-L98 PolarHBondContact O-N 3.45Å; Y96-L99 CarbonylContact O-C 3.31Å; Y96-L99 PolarHBondContact O-N 3.39Å; Y96-T100 WeakPolarHBondContact O-CB 3.18Å; Y96-T100 PolarHBondContact O-N 3.25Å; Y96-D162 HydrophobicContact CD2-CB 4.08Å; Y96-D162 VanDerWaalsContact CD2-OD2 3.25Å; Y96-D162 WeakPolarHBondContact CD2-OD2 3.49Å; Y96-D162 HydrophobicContact CE2-CB 4.16Å; Y96-D162 VanDerWaalsContact CE2-OD2 3.24Å; Y96-D162 WeakPolarHBondContact CE2-OD2 3.24Å
97S96.4Very high94.6Very high0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-63.7-38.3-175.7-55.20000112.9R49 W52 F53 R92 T93 L99 T100R49-S97 VanDerWaalsContact CA-O 3.3Å; R49-S97 WeakPolarHBondContact CA-O 3.15Å; R49-S97 WeakPolarHBondContact CB-O 3.44Å; R49-S97 WeakPolarHBondContact CG-O 3.46Å; W52-S97 VanDerWaalsContact CB-OG 3.25Å; W52-S97 WeakPolarHBondContact CB-OG 3.41Å; W52-S97 PolarHBondContact O-OG 3.41Å; F53-S97 PolarHBondContact N-OG 3.23Å; R92-S97 PolarHBondContact O-N 2.73Å; R92-S97 PolarHBondContact O-OG 2.84Å; T93-S97 VanDerWaalsContact O-CB 3.26Å; T93-S97 WeakPolarHBondContact O-CB 3.49Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 3.36Å; S97-T100 WeakPolarHBondContact O-CG2 3.41Å
98L95.1Very high94.3Very high83 Ų8340.5 Ų40.544%0.43521%0.214SC..Hα-helixtrans-70.8-30.6178.6-61.5-170000112.4R49 F53 F94 Y96R49-L98 WeakPolarHBondContact CD-O 3.47Å; R49-L98 PolarHBondContact NE-O 3.46Å; F53-L98 HydrophobicContact CD2-CD2 3.93Å; F53-L98 HydrophobicContact CE2-CD2 4.47Å; F94-L98 WeakPolarHBondContact O-CD1 2.76Å; F94-L98 VanDerWaalsContact O-CG 3.26Å; F94-L98 WeakPolarHBondContact O-CG 3.41Å; Y96-L98 PolarHBondContact O-N 3.45Å
99L94.8Very high93.9Very high79 Ų7942.1 Ų42.141%0.41422%0.224SC..Hα-helixtrans-97-5.5-177-60.2173.9000113.6V95 Y96 S97 R166V95-L99 HydrophobicContact CG1-CD1 3.96Å; V95-L99 VanDerWaalsContact O-CB 3.27Å; V95-L99 WeakPolarHBondContact O-CB 3.25Å; V95-L99 WeakPolarHBondContact O-CD1 3.17Å; V95-L99 WeakPolarHBondContact O-CG 3.49Å; V95-L99 PolarHBondContact O-N 2.82Å; Y96-L99 CarbonylContact O-C 3.31Å; Y96-L99 PolarHBondContact O-N 3.39Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 3.36Å; L99-R166 WeakPolarHBondContact O-CD 3.22Å
100T92.5Very high93.7Very high15 Ų1542.6 Ų42.69%0.09223%0.227CC..  trans-61.6141.2-177.2-164.20000112.3A48 R49 Y96 S97A48-T100 HydrophobicContact CB-CG2 4.04Å; R49-T100 HydrophobicContact CB-CG2 4.47Å; R49-T100 HydrophobicContact CG-CG2 3.9Å; R49-T100 PolarHBondContact NE-O 2.96Å; Y96-T100 WeakPolarHBondContact O-CB 3.18Å; Y96-T100 PolarHBondContact O-N 3.25Å; S97-T100 WeakPolarHBondContact O-CG2 3.41Å
101R90.7Very high93.5Very high78 Ų7841.4 Ų41.429%0.29423%0.228SC..  trans-117.141.3177.4-59.7-178.6-175.1169.22.3110.1R166 R169R101-R166 HydrophobicContact CG-CG 4.17Å; R101-R169 HydrophobicContact CB-CB 4.48Å; R101-R169 VanDerWaalsContact CD-O 3.29Å; R101-R169 WeakPolarHBondContact CD-O 3.32Å; R101-R169 PolarHBondContact NH1-O 3.27Å; R101-R169 PolarHBondContact O-NH1 3.12Å
102G85.1Confident93.3Very high34 Ų3444.8 Ų44.835%0.35125%0.251SS..PPolyproline II helixtrans-80.2161.2179.100000113.5
103Q88.1Confident93.1Very high39 Ų3945.1 Ų45.118%0.18226%0.258CS..PPolyproline II helixtrans-66.6159.9166.1-70.8-176.5-3.400110.7A48 I174A48-Q103 WeakPolarHBondContact CB-O 3.46Å; Q103-I174 HydrophobicContact CG-CD1 4.47Å; Q103-I174 HydrophobicContact CG-CG2 3.45Å; Q103-I174 VanDerWaalsContact CG-CG2 3.45Å
104P89.5Confident93.1Very high62 Ų6245.7 Ų45.740%0.40326%0.263SS..PPolyproline II helixtrans-47.6143.9171.1-26.935.3000112.3M45 V46M45-P104 HydrophobicContact CB-CB 3.93Å; M45-P104 HydrophobicContact CE-CB 3.98Å; M45-P104 WeakPolarHBondContact CE-O 3.38Å; V46-P104 WeakPolarHBondContact O-CA 3.15Å
105F89.3Confident93Very high5 Ų548 Ų482%0.02227%0.274CS..EExtended strand (participates in β ladder)trans-111.7135.5-171.1-160.7-88.3000110.2Y33 V46 A51 W52 L107 V109 M110Y33-F105 AromaticContact CD2-CD2 3.91Å; Y33-F105 HydrophobicContact CD2-CD2 3.91Å; Y33-F105 AromaticContact CD2-CE2 3.17Å; Y33-F105 HydrophobicContact CD2-CE2 3.17Å; Y33-F105 AromaticContact CD2-CZ 3.8Å; Y33-F105 HydrophobicContact CD2-CZ 3.8Å; Y33-F105 AromaticContact CE2-CE2 3.46Å; Y33-F105 HydrophobicContact CE2-CE2 3.46Å; Y33-F105 VanDerWaalsContact CE2-CE2 3.46Å; Y33-F105 AromaticContact CE2-CZ 3.86Å; Y33-F105 HydrophobicContact CE2-CZ 3.86Å; Y33-F105 AromaticContact CG-CE2 3.92Å; Y33-F105 HydrophobicContact CG-CE2 3.92Å; Y33-F105 HydrophobicContact CG-CZ 4.24Å; V46-F105 PolarHBondContact N-O 3.05Å; V46-F105 PolarHBondContact O-N 3.24Å; A51-F105 HydrophobicContact CB-CB 3.54Å; A51-F105 HydrophobicContact CB-CD1 3.96Å; A51-F105 HydrophobicContact CB-CG 3.88Å; W52-F105 HydrophobicContact CZ2-CE2 4.35Å; W52-F105 AromaticContact NE1-CE2 3.94Å; F105-L107 PolarHBondContact O-N 2.99Å; F105-V109 HydrophobicContact CD1-CB 4.33Å; F105-V109 HydrophobicContact CE1-CB 3.63Å; F105-V109 HydrophobicContact CE1-CG1 3.48Å; F105-V109 VanDerWaalsContact CE1-CG1 3.48Å; F105-V109 HydrophobicContact CZ-CB 4.22Å; F105-V109 HydrophobicContact CZ-CG1 3.56Å; F105-M110 HydrophobicContact CD1-CB 4Å; F105-M110 HydrophobicContact CE1-CB 4.1Å
106P92.1Very high93Very high8 Ų847.9 Ų47.95%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-65.1134.1179.4-18.429.6000112.4S32 M45 S108 V109 M110S32-P106 VanDerWaalsContact O-CG 3.29Å; S32-P106 WeakPolarHBondContact O-CG 3.33Å; M45-P106 HydrophobicContact CE-CG 4.13Å; M45-P106 HydrophobicContact SD-CB 4.3Å; M45-P106 HydrophobicContact SD-CG 4.26Å; P106-S108 VanDerWaalsContact C-N 3.31Å; P106-S108 PolarHBondContact O-N 2.95Å; P106-V109 HydrophobicContact CB-CB 4.38Å; P106-V109 HydrophobicContact CB-CG2 4Å; P106-V109 HydrophobicContact CG-CG2 4.16Å; P106-V109 PolarHBondContact O-N 2.83Å; P106-M110 PolarHBondContact O-N 2.91Å
107L92Very high93Very high50 Ų5046 Ų4626%0.26226%0.262SS..Hα-helixtrans-56.2-43.1179.3174.557.8000112.2R44 V46 F105 V109 M110 T111R44-L107 HydrophobicContact CB-CB 4.19Å; R44-L107 HydrophobicContact CB-CD2 4.08Å; R44-L107 HydrophobicContact CG-CB 4.49Å; R44-L107 HydrophobicContact CG-CD2 4.01Å; R44-L107 WeakPolarHBondContact O-CB 3.23Å; R44-L107 PolarHBondContact O-N 3.48Å; V46-L107 HydrophobicContact CG2-CB 4.16Å; V46-L107 HydrophobicContact CG2-CD1 4.16Å; F105-L107 PolarHBondContact O-N 2.99Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-V109 PolarHBondContact O-N 3.47Å; L107-M110 HydrophobicContact CD1-CE 3.35Å; L107-M110 WeakPolarHBondContact O-CB 3.46Å; L107-M110 PolarHBondContact O-N 3.09Å; L107-M110 VanDerWaalsContact O-N 3.16Å; L107-T111 HydrophobicContact CD1-CG2 4Å; L107-T111 PolarHBondContact O-N 2.91Å; L107-T111 PolarHBondContact O-OG1 2.94Å
108S90.9Very high93.1Very high73 Ų7350.1 Ų50.151%0.5128%0.28SS..Hα-helixtrans-60.3-43.2179.953.30000112.4P106 M110 T111 T112P106-S108 VanDerWaalsContact C-N 3.31Å; P106-S108 PolarHBondContact O-N 2.95Å; S108-M110 VanDerWaalsContact C-N 3.34Å; S108-T111 WeakPolarHBondContact CA-OG1 3.46Å; S108-T111 PolarHBondContact O-N 3.34Å; S108-T111 PolarHBondContact O-OG1 2.86Å; S108-T112 PolarHBondContact O-N 3.23Å; S108-T112 PolarHBondContact O-OG1 3.07Å; S108-T112 VanDerWaalsContact O-OG1 3.06Å
109V90.7Very high93.2Very high37 Ų3748.7 Ų48.722%0.22427%0.273CS..Hα-helixtrans-65.7-40.8177-176.50000110Y33 F105 P106 L107 T112 G113Y33-V109 HydrophobicContact CD1-CG1 4.15Å; Y33-V109 HydrophobicContact CE1-CG1 4.29Å; F105-V109 HydrophobicContact CD1-CB 4.33Å; F105-V109 HydrophobicContact CE1-CB 3.63Å; F105-V109 HydrophobicContact CE1-CG1 3.48Å; F105-V109 VanDerWaalsContact CE1-CG1 3.48Å; F105-V109 HydrophobicContact CZ-CB 4.22Å; F105-V109 HydrophobicContact CZ-CG1 3.56Å; P106-V109 HydrophobicContact CB-CB 4.38Å; P106-V109 HydrophobicContact CB-CG2 4Å; P106-V109 HydrophobicContact CG-CG2 4.16Å; P106-V109 PolarHBondContact O-N 2.83Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-V109 PolarHBondContact O-N 3.47Å; V109-T112 PolarHBondContact O-N 2.83Å; V109-G113 PolarHBondContact O-N 3.14Å
110M94.4Very high93.4Very high21 Ų2145 Ų4510%0.10325%0.253CS..Hα-helixtrans-61.8-45.9177.6-179-169.767.500110.8V46 A51 L54 Q55 F105 P106 L107 S108 G113 G114V46-M110 HydrophobicContact CG1-SD 4.28Å; V46-M110 HydrophobicContact CG2-CE 4.31Å; A51-M110 WeakPolarHBondContact CA-SD 3.17Å; A51-M110 HydrophobicContact CB-CB 4.47Å; A51-M110 HydrophobicContact CB-CG 4.21Å; A51-M110 HydrophobicContact CB-SD 3.92Å; L54-M110 HydrophobicContact CB-SD 4.22Å; L54-M110 HydrophobicContact CD1-SD 4.37Å; Q55-M110 HydrophobicContact CB-CG 4.22Å; F105-M110 HydrophobicContact CD1-CB 4Å; F105-M110 HydrophobicContact CE1-CB 4.1Å; P106-M110 PolarHBondContact O-N 2.91Å; L107-M110 HydrophobicContact CD1-CE 3.35Å; L107-M110 WeakPolarHBondContact O-CB 3.46Å; L107-M110 PolarHBondContact O-N 3.09Å; L107-M110 VanDerWaalsContact O-N 3.16Å; S108-M110 VanDerWaalsContact C-N 3.34Å; M110-G113 PolarHBondContact O-N 2.73Å; M110-G114 PolarHBondContact O-N 2.72Å
111T94.4Very high93.6Very high77 Ų7744.3 Ų44.347%0.47225%0.249SC..Hα-helixtrans-65.2-42.2-179.647.80000112L107 S108 G114 F115L107-T111 HydrophobicContact CD1-CG2 4Å; L107-T111 PolarHBondContact O-N 2.91Å; L107-T111 PolarHBondContact O-OG1 2.94Å; S108-T111 WeakPolarHBondContact CA-OG1 3.46Å; S108-T111 PolarHBondContact O-N 3.34Å; S108-T111 PolarHBondContact O-OG1 2.86Å; T111-G114 PolarHBondContact O-N 3.17Å; T111-F115 PolarHBondContact O-N 3.24Å
112T93.2Very high93.9Very high100 Ų10043.1 Ų43.161%0.61325%0.246SC*.Hα-helixtrans-66-42.7176.7-57.50000111.4S108 V109 G114 F115 F116S108-T112 PolarHBondContact O-N 3.23Å; S108-T112 PolarHBondContact O-OG1 3.07Å; S108-T112 VanDerWaalsContact O-OG1 3.06Å; V109-T112 PolarHBondContact O-N 2.83Å; T112-G114 VanDerWaalsContact C-N 3.34Å; T112-G114 PolarHBondContact O-N 2.74Å; T112-F115 PolarHBondContact O-N 3.4Å; T112-F116 PolarHBondContact O-N 3.07Å
113G94.6Very high94.5Very high16 Ų1641.6 Ų41.617%0.16523%0.23CC..Hα-helixtrans-63.6-38.2175.200000112.7V109 M110 F116 C117V109-G113 PolarHBondContact O-N 3.14Å; M110-G113 PolarHBondContact O-N 2.73Å; G113-F116 WeakPolarHBondContact O-CB 3.5Å; G113-F116 PolarHBondContact O-N 2.87Å; G113-C117 WeakPolarHBondContact O-CB 3.21Å; G113-C117 PolarHBondContact O-N 2.9Å; G113-C117 PolarHBondContact O-SG 3.28Å
114G97.4Very high94.9Very high12 Ų1239.8 Ų39.812%0.12422%0.222CC..Hα-helixtrans-67.7-40.6177.800000112.2Q55 M110 T111 T112 C117 F118Q55-G114 WeakPolarHBondContact O-CA 3.22Å; M110-G114 PolarHBondContact O-N 2.72Å; T111-G114 PolarHBondContact O-N 3.17Å; T112-G114 VanDerWaalsContact C-N 3.34Å; T112-G114 PolarHBondContact O-N 2.74Å; G114-C117 PolarHBondContact O-N 2.97Å; G114-F118 WeakPolarHBondContact O-CB 3.34Å; G114-F118 PolarHBondContact O-N 3.19Å
115F97.3Very high95.2Very high127 Ų12736.9 Ų36.956%0.55720%0.202SC*.Hα-helixtrans-63.4-41.9173-177.7-110.4000111.9T111 T112 F118 L119T111-F115 PolarHBondContact O-N 3.24Å; T112-F115 PolarHBondContact O-N 3.4Å; F115-F118 WeakPolarHBondContact O-CB 3.31Å; F115-F118 PolarHBondContact O-N 3.38Å; F115-L119 HydrophobicContact CD1-CD1 4.06Å; F115-L119 HydrophobicContact CE1-CD1 3.45Å; F115-L119 VanDerWaalsContact CE1-CD1 3.45Å; F115-L119 HydrophobicContact CE1-CG 4.18Å; F115-L119 HydrophobicContact CE2-CD1 4.39Å; F115-L119 HydrophobicContact CE2-CG 4.31Å; F115-L119 HydrophobicContact CZ-CD1 3.64Å; F115-L119 HydrophobicContact CZ-CD2 4.31Å; F115-L119 HydrophobicContact CZ-CG 4.03Å; F115-L119 WeakPolarHBondContact O-CG 3.32Å; F115-L119 PolarHBondContact O-N 3.04Å
116F96.7Very high95.5Very high46 Ų4636.7 Ų36.720%0.20220%0.202CC..Hα-helixtrans-59.6-48.5172.2172-94000111.8M15 T112 G113 F118 L119 N120 F217M15-F116 HydrophobicContact CG-CE2 3.93Å; M15-F116 HydrophobicContact SD-CE2 3.52Å; M15-F116 VanDerWaalsContact SD-CE2 3.52Å; M15-F116 HydrophobicContact SD-CZ 3.86Å; T112-F116 PolarHBondContact O-N 3.07Å; G113-F116 WeakPolarHBondContact O-CB 3.5Å; G113-F116 PolarHBondContact O-N 2.87Å; F116-F118 VanDerWaalsContact C-N 3.28Å; F116-F118 PolarHBondContact O-N 2.94Å; F116-L119 PolarHBondContact O-N 3.4Å; F116-N120 HydrophobicContact CE1-CB 4.21Å; F116-N120 HydrophobicContact CZ-CB 4.18Å; F116-N120 VanDerWaalsContact O-CB 3.3Å; F116-N120 WeakPolarHBondContact O-CB 3.48Å; F116-N120 PolarHBondContact O-N 3.11Å; F116-F217 HydrophobicContact CD1-CE1 4.24Å; F116-F217 HydrophobicContact CD2-CD1 4.42Å; F116-F217 AromaticContact CD2-CE1 3.77Å; F116-F217 HydrophobicContact CD2-CE1 3.77Å; F116-F217 HydrophobicContact CD2-CE2 4.12Å; F116-F217 AromaticContact CD2-CZ 3.59Å; F116-F217 HydrophobicContact CD2-CZ 3.59Å; F116-F217 HydrophobicContact CE1-CD1 4.13Å; F116-F217 AromaticContact CE1-CE1 3.75Å; F116-F217 HydrophobicContact CE1-CE1 3.75Å; F116-F217 AromaticContact CE2-CD1 3.43Å; F116-F217 HydrophobicContact CE2-CD1 3.43Å; F116-F217 VanDerWaalsContact CE2-CD1 3.43Å; F116-F217 HydrophobicContact CE2-CD2 4Å; F116-F217 AromaticContact CE2-CE1 3.2Å; F116-F217 HydrophobicContact CE2-CE1 3.2Å; F116-F217 AromaticContact CE2-CE2 3.79Å; F116-F217 HydrophobicContact CE2-CE2 3.79Å; F116-F217 AromaticContact CE2-CG 3.83Å; F116-F217 HydrophobicContact CE2-CG 3.83Å; F116-F217 AromaticContact CE2-CZ 3.39Å; F116-F217 HydrophobicContact CE2-CZ 3.39Å; F116-F217 HydrophobicContact CG-CE1 4.26Å; F116-F217 HydrophobicContact CG-CZ 4.25Å; F116-F217 AromaticContact CZ-CD1 3.26Å; F116-F217 HydrophobicContact CZ-CD1 3.26Å; F116-F217 AromaticContact CZ-CE1 3.2Å; F116-F217 HydrophobicContact CZ-CE1 3.2Å; F116-F217 HydrophobicContact CZ-CG 4.02Å; F116-F217 AromaticContact CZ-CZ 3.91Å; F116-F217 HydrophobicContact CZ-CZ 3.91Å
117C98.1Very high95.6Very high4 Ų438.2 Ų38.23%0.02721%0.207CC..Hα-helixtrans-61.2-37.6179.2-71.40000112Q55 P58 A59 G113 G114 G121Q55-C117 WeakPolarHBondContact O-CB 3.46Å; Q55-C117 PolarHBondContact O-SG 2.87Å; P58-C117 HydrophobicContact CB-CB 4.37Å; A59-C117 VanDerWaalsContact CA-O 3.29Å; A59-C117 WeakPolarHBondContact CA-O 3.28Å; A59-C117 HydrophobicContact CB-CB 3.82Å; A59-C117 WeakPolarHBondContact CB-O 3.4Å; A59-C117 PolarHBondContact N-O 3.38Å; G113-C117 WeakPolarHBondContact O-CB 3.21Å; G113-C117 PolarHBondContact O-N 2.9Å; G113-C117 PolarHBondContact O-SG 3.28Å; G114-C117 PolarHBondContact O-N 2.97Å; C117-G121 PolarHBondContact O-N 3.49Å
118F98.1Very high95.7Very high87 Ų8735.9 Ų35.938%0.38219%0.194SC..Hα-helixtrans-61.2-52.9173.4172.4-92.4000111.5P58 M62 G114 F115 F116 N120 G121 F122P58-F118 HydrophobicContact CB-CB 3.84Å; M62-F118 HydrophobicContact CE-CE2 4.16Å; M62-F118 HydrophobicContact CG-CD2 3.73Å; M62-F118 HydrophobicContact CG-CE2 3.97Å; M62-F118 HydrophobicContact SD-CD2 3.78Å; M62-F118 HydrophobicContact SD-CE2 3.41Å; M62-F118 WeakPolarHBondContact SD-CE2 3.15Å; M62-F118 HydrophobicContact SD-CZ 4.32Å; G114-F118 WeakPolarHBondContact O-CB 3.34Å; G114-F118 PolarHBondContact O-N 3.19Å; F115-F118 WeakPolarHBondContact O-CB 3.31Å; F115-F118 PolarHBondContact O-N 3.38Å; F116-F118 VanDerWaalsContact C-N 3.28Å; F116-F118 PolarHBondContact O-N 2.94Å; F118-N120 PolarHBondContact O-N 2.68Å; F118-G121 PolarHBondContact O-N 2.85Å; F118-F122 WeakPolarHBondContact O-CB 3.37Å; F118-F122 PolarHBondContact O-N 3.43Å
119L97.6Very high95.7Very high53 Ų5333.2 Ų33.228%0.27718%0.175SC..Hα-helixtrans-62.4-43.2-179.8-72.9-177.3000112L11 F115 F116 F122 L123L11-L119 HydrophobicContact CD2-CD2 4.28Å; F115-L119 HydrophobicContact CD1-CD1 4.06Å; F115-L119 HydrophobicContact CE1-CD1 3.45Å; F115-L119 VanDerWaalsContact CE1-CD1 3.45Å; F115-L119 HydrophobicContact CE1-CG 4.18Å; F115-L119 HydrophobicContact CE2-CD1 4.39Å; F115-L119 HydrophobicContact CE2-CG 4.31Å; F115-L119 HydrophobicContact CZ-CD1 3.64Å; F115-L119 HydrophobicContact CZ-CD2 4.31Å; F115-L119 HydrophobicContact CZ-CG 4.03Å; F115-L119 WeakPolarHBondContact O-CG 3.32Å; F115-L119 PolarHBondContact O-N 3.04Å; F116-L119 PolarHBondContact O-N 3.4Å; L119-F122 PolarHBondContact O-N 2.97Å; L119-L123 WeakPolarHBondContact O-CB 3.39Å; L119-L123 PolarHBondContact O-N 3.31Å
120N97.9Very high95.7Very high1 Ų132.5 Ų32.51%0.00517%0.169CC..Hα-helixtrans-66.9-45.5179.1-177.349000111.4Y89 F116 F118 F122 L123 Q124 I214Y89-N120 PolarHBondContact OH-ND2 2.91Å; Y89-N120 VanDerWaalsContact OH-ND2 3.07Å; F116-N120 HydrophobicContact CE1-CB 4.21Å; F116-N120 HydrophobicContact CZ-CB 4.18Å; F116-N120 VanDerWaalsContact O-CB 3.3Å; F116-N120 WeakPolarHBondContact O-CB 3.48Å; F116-N120 PolarHBondContact O-N 3.11Å; F118-N120 PolarHBondContact O-N 2.68Å; N120-F122 VanDerWaalsContact C-N 3.33Å; N120-F122 PolarHBondContact O-N 3.46Å; N120-L123 PolarHBondContact O-N 3.31Å; N120-Q124 VanDerWaalsContact O-CG 3.28Å; N120-Q124 WeakPolarHBondContact O-CG 3.35Å; N120-Q124 PolarHBondContact O-N 3.44Å; N120-Q124 WeakPolarHBondContact OD1-CG 3.37Å; N120-Q124 PolarHBondContact OD1-NE2 3.3Å; N120-I214 WeakPolarHBondContact ND2-CD1 3.2Å
121G97.7Very high95.5Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-59.6-43.2175.400000112.4P63 C117 F118 G125P63-G121 WeakPolarHBondContact CG-O 3.26Å; C117-G121 PolarHBondContact O-N 3.49Å; F118-G121 PolarHBondContact O-N 2.85Å; G121-G125 PolarHBondContact O-N 3.17Å
122F97Very high95.3Very high53 Ų5329 Ų2923%0.23215%0.149CC..Hα-helixtrans-61.6-50.5172.9174.6-98.3000111.5V7 L11 M62 L66 F118 L119 N120 Q124 G125 H126V7-F122 HydrophobicContact CG1-CE1 4.2Å; L11-F122 HydrophobicContact CD1-CD1 3.93Å; L11-F122 HydrophobicContact CD1-CE1 4.06Å; M62-F122 HydrophobicContact CE-CB 4.24Å; M62-F122 HydrophobicContact CE-CD2 4.01Å; L66-F122 HydrophobicContact CD1-CD2 4.06Å; L66-F122 HydrophobicContact CD2-CE2 4.44Å; F118-F122 WeakPolarHBondContact O-CB 3.37Å; F118-F122 PolarHBondContact O-N 3.43Å; L119-F122 PolarHBondContact O-N 2.97Å; N120-F122 VanDerWaalsContact C-N 3.33Å; N120-F122 PolarHBondContact O-N 3.46Å; F122-Q124 PolarHBondContact O-N 3.22Å; F122-G125 PolarHBondContact O-N 3.24Å; F122-H126 HydrophobicContact CE1-CB 4.49Å; F122-H126 HydrophobicContact CE2-CB 4.31Å; F122-H126 HydrophobicContact CZ-CB 4.25Å; F122-H126 WeakPolarHBondContact O-CB 3.41Å; F122-H126 PolarHBondContact O-N 3.04Å
123L97.6Very high95Very high3 Ų332.7 Ų32.72%0.01616%0.159CC..Hα-helixtrans-59.2-51-176.5175.859.5000112V8 L11 M15 L119 N120 Y127 P210V8-L123 HydrophobicContact CB-CD1 4.26Å; V8-L123 HydrophobicContact CG1-CD1 3.97Å; V8-L123 HydrophobicContact CG2-CD1 4.39Å; L11-L123 HydrophobicContact CB-CD1 4Å; L11-L123 HydrophobicContact CB-CD2 4.15Å; L11-L123 HydrophobicContact CD1-CD1 4.43Å; M15-L123 HydrophobicContact CE-CD2 3.81Å; L119-L123 WeakPolarHBondContact O-CB 3.39Å; L119-L123 PolarHBondContact O-N 3.31Å; N120-L123 PolarHBondContact O-N 3.31Å; L123-Y127 VanDerWaalsContact O-CB 3.23Å; L123-Y127 WeakPolarHBondContact O-CB 3.31Å; L123-Y127 PolarHBondContact O-N 2.91Å; L123-P210 HydrophobicContact CD1-CB 4.33Å; L123-P210 HydrophobicContact CD1-CG 4.08Å; L123-P210 HydrophobicContact CD2-CB 4.35Å; L123-P210 HydrophobicContact CG-CB 4.05Å; L123-P210 HydrophobicContact CG-CG 4.36Å
124Q97.2Very high94.5Very high1 Ų132.9 Ų32.91%0.00516%0.156CC..Hα-helixtrans-69.5-43.7-178.5-57.2-61.5-16.700111.4F85 N120 F122 L128 P210F85-Q124 HydrophobicContact CD2-CB 4.25Å; F85-Q124 HydrophobicContact CD2-CG 4.26Å; F85-Q124 HydrophobicContact CE1-CB 4.35Å; F85-Q124 HydrophobicContact CE2-CB 3.89Å; F85-Q124 HydrophobicContact CE2-CG 3.57Å; F85-Q124 HydrophobicContact CZ-CB 3.92Å; F85-Q124 HydrophobicContact CZ-CG 3.82Å; N120-Q124 VanDerWaalsContact O-CG 3.28Å; N120-Q124 WeakPolarHBondContact O-CG 3.35Å; N120-Q124 PolarHBondContact O-N 3.44Å; N120-Q124 WeakPolarHBondContact OD1-CG 3.37Å; N120-Q124 PolarHBondContact OD1-NE2 3.3Å; F122-Q124 PolarHBondContact O-N 3.22Å; Q124-L128 WeakPolarHBondContact O-CB 3.45Å; Q124-L128 WeakPolarHBondContact O-CG 3.46Å; Q124-L128 PolarHBondContact O-N 3.42Å; Q124-P210 PolarHBondContact NE2-O 3.48Å
125G95.1Very high93.8Very high0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-63.6-49.5178.800000112.2G121 F122 Y127 L128 L129G121-G125 PolarHBondContact O-N 3.17Å; F122-G125 PolarHBondContact O-N 3.24Å; G125-Y127 PolarHBondContact O-N 3.23Å; G125-L128 PolarHBondContact O-N 2.81Å; G125-L129 VanDerWaalsContact O-CB 3.31Å; G125-L129 WeakPolarHBondContact O-CB 3.05Å; G125-L129 WeakPolarHBondContact O-CD1 3.12Å; G125-L129 VanDerWaalsContact O-CG 3.29Å; G125-L129 WeakPolarHBondContact O-CG 3.26Å; G125-L129 PolarHBondContact O-N 3.3Å
126H94.6Very high93.1Very high2 Ų239 Ų391%0.00919%0.186CC..Hα-helixtrans-62.8-43.7179-17977.3000111.4Y4 L66 F122 H130Y4-H126 AromaticContact CD2-CE1 3.31Å; Y4-H126 WeakPolarHBondContact CD2-CE1 3.17Å; Y4-H126 AromaticContact CD2-NE2 3.62Å; Y4-H126 AromaticContact CE2-CE1 3.96Å; Y4-H126 PolarHBondContact N-NE2 3.26Å; L66-H126 HydrophobicContact CD1-CB 4.08Å; F122-H126 HydrophobicContact CE1-CB 4.49Å; F122-H126 HydrophobicContact CE2-CB 4.31Å; F122-H126 HydrophobicContact CZ-CB 4.25Å; F122-H126 WeakPolarHBondContact O-CB 3.41Å; F122-H126 PolarHBondContact O-N 3.04Å; H126-H130 AromaticContact CE1-CD2 3.67Å; H126-H130 AromaticContact ND1-CD2 3.35Å; H126-H130 PolarHBondContact ND1-CD2 3.41Å; H126-H130 VanDerWaalsContact ND1-CD2 3.35Å; H126-H130 WeakPolarHBondContact O-CB 3.47Å; H126-H130 PolarHBondContact O-N 2.75Å
127Y95.2Very high92.6Very high39 Ų3944.9 Ų44.915%0.15321%0.211CC..Iπ-helixtrans-59.1-52.2176.7177.2-101000111.6V8 L123 G125 L129 C131 A132 S208 P210V8-Y127 HydrophobicContact CG1-CD2 3.97Å; L123-Y127 VanDerWaalsContact O-CB 3.23Å; L123-Y127 WeakPolarHBondContact O-CB 3.31Å; L123-Y127 PolarHBondContact O-N 2.91Å; G125-Y127 PolarHBondContact O-N 3.23Å; Y127-L129 PolarHBondContact O-N 3.19Å; Y127-C131 HydrophobicContact CD2-CB 3.64Å; Y127-C131 HydrophobicContact CE2-CB 4.03Å; Y127-C131 HydrophobicContact CG-CB 4.4Å; Y127-C131 CarbonylContact O-C 3.54Å; Y127-C131 WeakPolarHBondContact O-CA 3.29Å; Y127-C131 WeakPolarHBondContact O-CB 3.42Å; Y127-C131 PolarHBondContact O-N 2.97Å; Y127-A132 HydrophobicContact CD1-CB 4.18Å; Y127-A132 HydrophobicContact CE1-CB 3.74Å; Y127-A132 PolarHBondContact O-N 3.25Å; Y127-S208 WeakPolarHBondContact CE1-OG 3.18Å; Y127-S208 WeakPolarHBondContact OH-CB 3.44Å; Y127-P210 HydrophobicContact CD1-CG 4.31Å; Y127-P210 HydrophobicContact CD2-CG 3.92Å; Y127-P210 HydrophobicContact CG-CB 4.46Å; Y127-P210 HydrophobicContact CG-CG 3.8Å
128L93.3Very high92Very high1 Ų147.8 Ų47.81%0.00522%0.222CC..Iπ-helixtrans-66.9-34.7-177.1-73.7-177.9000113.8L81 L82 Q124 G125 A132 F134 Y202 T206L81-L128 HydrophobicContact CB-CD1 3.88Å; L81-L128 HydrophobicContact CB-CD2 4.29Å; L81-L128 HydrophobicContact CD1-CD2 4.27Å; L82-L128 HydrophobicContact CB-CD1 4.2Å; L82-L128 HydrophobicContact CD1-CB 4.47Å; L82-L128 HydrophobicContact CD1-CD1 4.15Å; Q124-L128 WeakPolarHBondContact O-CB 3.45Å; Q124-L128 WeakPolarHBondContact O-CG 3.46Å; Q124-L128 PolarHBondContact O-N 3.42Å; G125-L128 PolarHBondContact O-N 2.81Å; L128-A132 HydrophobicContact CD2-CB 4.25Å; L128-F134 HydrophobicContact CD2-CE2 3.95Å; L128-F134 HydrophobicContact CD2-CZ 4.43Å; L128-Y202 WeakPolarHBondContact CD1-OH 3.49Å; L128-T206 HydrophobicContact CD2-CG2 4.45Å
129L91.9Very high91.4Very high18 Ų1845.3 Ų45.39%0.09422%0.215CC..Iπ-helixtrans-79.5-36.3-178.7-71.9167.6000112.7L66 M67 L82 G125 Y127L66-L129 HydrophobicContact CB-CD1 3.52Å; M67-L129 HydrophobicContact CB-CD1 4.25Å; M67-L129 HydrophobicContact CB-CD2 4.46Å; L82-L129 HydrophobicContact CD2-CD1 4.42Å; L82-L129 HydrophobicContact CD2-CD2 3.86Å; L82-L129 HydrophobicContact CD2-CG 4.16Å; G125-L129 VanDerWaalsContact O-CB 3.31Å; G125-L129 WeakPolarHBondContact O-CB 3.05Å; G125-L129 WeakPolarHBondContact O-CD1 3.12Å; G125-L129 VanDerWaalsContact O-CG 3.29Å; G125-L129 WeakPolarHBondContact O-CG 3.26Å; G125-L129 PolarHBondContact O-N 3.3Å; Y127-L129 PolarHBondContact O-N 3.19Å
130H90.3Very high90.8Very high22 Ų2246.9 Ų46.910%0.10224%0.236CC..Iπ-helixtrans-119.6-24.3-167.3-60.1-55.3000115.1M1 C3 H126M1-H130 PolarHBondContact O-ND1 3.43Å; C3-H130 WeakPolarHBondContact CB-O 3.34Å; H126-H130 AromaticContact CE1-CD2 3.67Å; H126-H130 AromaticContact ND1-CD2 3.35Å; H126-H130 PolarHBondContact ND1-CD2 3.41Å; H126-H130 VanDerWaalsContact ND1-CD2 3.35Å; H126-H130 WeakPolarHBondContact O-CB 3.47Å; H126-H130 PolarHBondContact O-N 2.75Å
131C91.2Very high90.5Very high22 Ų2247.9 Ų47.915%0.14925%0.247CC..Iπ-helixtrans-115.9-35.7-170.3-62.10000114.3C3 Y127 Q133C3-C131 VanDerWaalsContact CA-SG 3.56Å; C3-C131 HydrophobicContact CB-CB 4.01Å; C3-C131 WeakPolarHBondContact CB-SG 3.01Å; C3-C131 WeakPolarHBondContact SG-CA 3.39Å; C3-C131 WeakPolarHBondContact SG-CB 3.43Å; C3-C131 CovalentContact SG-SG 2.03Å; C3-C131 PolarHBondContact SG-SG 2.95Å; Y127-C131 HydrophobicContact CD2-CB 3.64Å; Y127-C131 HydrophobicContact CE2-CB 4.03Å; Y127-C131 HydrophobicContact CG-CB 4.4Å; Y127-C131 CarbonylContact O-C 3.54Å; Y127-C131 WeakPolarHBondContact O-CA 3.29Å; Y127-C131 WeakPolarHBondContact O-CB 3.42Å; Y127-C131 PolarHBondContact O-N 2.97Å; C131-Q133 PolarHBondContact O-N 3.35Å
132A90.6Very high90.2Very high1 Ų157.5 Ų57.51%0.00828%0.284CS..  trans-63.1130.1-177.100000110.3R78 Y127 L128 F134R78-A132 PolarHBondContact NE-O 2.85Å; R78-A132 VanDerWaalsContact NE-O 3.13Å; R78-A132 PolarHBondContact NH1-O 3.38Å; R78-A132 PolarHBondContact NH2-O 2.88Å; Y127-A132 HydrophobicContact CD1-CB 4.18Å; Y127-A132 HydrophobicContact CE1-CB 3.74Å; Y127-A132 PolarHBondContact O-N 3.25Å; L128-A132 HydrophobicContact CD2-CB 4.25Å; A132-F134 HydrophobicContact CB-CD2 4.35Å; A132-F134 HydrophobicContact CB-CE2 3.84Å; A132-F134 HydrophobicContact CB-CZ 4.07Å
133Q85.6Confident90Very high179 Ų17958 Ų5884%0.83629%0.294SS*.  trans-117.976.6175.2-68.3-171.4-13.600109.9C131C131-Q133 PolarHBondContact O-N 3.35Å
134F84.8Confident89.8Confident20 Ų2058.4 Ų58.49%0.08830%0.295CS..  trans-84121169.5-54.9-48.4000109.6R78 L81 L128 A132 W138 T206R78-F134 HydrophobicContact CG-CD2 3.56Å; R78-F134 HydrophobicContact CG-CE2 4.13Å; L81-F134 HydrophobicContact CD1-CD2 4.34Å; L81-F134 HydrophobicContact CD1-CE2 3.59Å; L81-F134 HydrophobicContact CD1-CZ 4.03Å; L128-F134 HydrophobicContact CD2-CE2 3.95Å; L128-F134 HydrophobicContact CD2-CZ 4.43Å; A132-F134 HydrophobicContact CB-CD2 4.35Å; A132-F134 HydrophobicContact CB-CE2 3.84Å; A132-F134 HydrophobicContact CB-CZ 4.07Å; F134-W138 AromaticContact CD1-CD1 3.25Å; F134-W138 AromaticContact CD1-CG 3.96Å; F134-W138 HydrophobicContact CD1-CG 3.96Å; F134-W138 AromaticContact CD1-NE1 3.52Å; F134-W138 AromaticContact CE1-CD1 3.9Å; F134-W138 AromaticContact CE1-NE1 3.66Å; F134-W138 AromaticContact CG-CD1 3.72Å; F134-T206 WeakPolarHBondContact CE1-O 3.28Å; F134-T206 WeakPolarHBondContact CZ-O 3.49Å
135D82.6Confident89.7Confident93 Ų9362 Ų6250%0.49732%0.317SS..  trans-79171166.868.8-5.9000110.4K137 W138 S139D135-K137 PolarHBondContact O-N 3.17Å; D135-W138 PolarHBondContact O-N 3.15Å; D135-W138 WeakPolarHBondContact OD1-CB 3.36Å; D135-W138 PolarHBondContact OD1-N 2.94Å; D135-S139 PolarHBondContact O-N 3.31Å; D135-S139 PolarHBondContact O-OG 3.39Å
136E81.8Confident89.8Confident175 Ų17566.4 Ų66.482%0.81834%0.34SS*.Hα-helixtrans-64.8-31.3179.2-64.5-170.3167.200111.7S139 A140E136-S139 PolarHBondContact O-N 2.93Å; E136-A140 WeakPolarHBondContact O-CB 3.23Å; E136-A140 PolarHBondContact O-N 3.08Å
137K86.3Confident89.9Confident169 Ų16966.3 Ų66.374%0.73534%0.339SS*.Hα-helixtrans-65.1-42177.3-65.8-177.5179.7178.50112.1D135 A140 G141D135-K137 PolarHBondContact O-N 3.17Å; K137-A140 CarbonylContact O-C 3.56Å; K137-A140 PolarHBondContact O-N 3.33Å; K137-G141 PolarHBondContact O-N 2.72Å
138W86.9Confident90Very high65 Ų6565.7 Ų65.725%0.24634%0.338CS..Hα-helixtrans-61.9-46.9175-177.6-98.6000110.9F134 D135 A140 G141 C143 Y144 V205 W207F134-W138 AromaticContact CD1-CD1 3.25Å; F134-W138 AromaticContact CD1-CG 3.96Å; F134-W138 HydrophobicContact CD1-CG 3.96Å; F134-W138 AromaticContact CD1-NE1 3.52Å; F134-W138 AromaticContact CE1-CD1 3.9Å; F134-W138 AromaticContact CE1-NE1 3.66Å; F134-W138 AromaticContact CG-CD1 3.72Å; D135-W138 PolarHBondContact O-N 3.15Å; D135-W138 WeakPolarHBondContact OD1-CB 3.36Å; D135-W138 PolarHBondContact OD1-N 2.94Å; W138-A140 PolarHBondContact O-N 3.26Å; W138-G141 PolarHBondContact O-N 3.14Å; W138-C143 HydrophobicContact CH2-CB 4.07Å; W138-C143 HydrophobicContact CZ2-CB 4.42Å; W138-Y144 AromaticContact CD1-CD2 3.87Å; W138-Y144 AromaticContact NE1-CD2 3.86Å; W138-Y144 VanDerWaalsContact O-CB 3.24Å; W138-Y144 WeakPolarHBondContact O-CB 3.39Å; W138-V205 PolarHBondContact NE1-O 2.99Å; W138-V205 VanDerWaalsContact NE1-O 3.14Å; W138-W207 HydrophobicContact CH2-CB 3.56Å; W138-W207 HydrophobicContact CH2-CD2 4.35Å; W138-W207 AromaticContact CH2-CG 3.8Å; W138-W207 HydrophobicContact CH2-CG 3.8Å; W138-W207 HydrophobicContact CZ2-CB 3.45Å; W138-W207 VanDerWaalsContact CZ2-CB 3.45Å; W138-W207 HydrophobicContact CZ2-CG 4.21Å
139S84.7Confident90.3Very high35 Ų3569.2 Ų69.225%0.24536%0.36CS..Hα-helixtrans-65-28.2-178.8-53.40000112.7D135 E136D135-S139 PolarHBondContact O-N 3.31Å; D135-S139 PolarHBondContact O-OG 3.39Å; E136-S139 PolarHBondContact O-N 2.93Å
140A85.9Confident90.6Very high85 Ų8570.3 Ų70.370%0.70237%0.367SS*.THydrogen-bonded Turntrans-90.8-3.7173.200000113.7E136 K137 W138E136-A140 WeakPolarHBondContact O-CB 3.23Å; E136-A140 PolarHBondContact O-N 3.08Å; K137-A140 CarbonylContact O-C 3.56Å; K137-A140 PolarHBondContact O-N 3.33Å; W138-A140 PolarHBondContact O-N 3.26Å
141G90.4Very high91Very high23 Ų2369.3 Ų69.324%0.23736%0.362CS..SBendtrans-79.9152.3-174.100000113.2K137 W138 C143 Y144 T145K137-G141 PolarHBondContact O-N 2.72Å; W138-G141 PolarHBondContact O-N 3.14Å; G141-C143 VanDerWaalsContact C-N 3.27Å; G141-C143 PolarHBondContact O-N 3.13Å; G141-Y144 WeakPolarHBondContact O-CB 3.47Å; G141-Y144 PolarHBondContact O-N 3.3Å; G141-T145 PolarHBondContact O-N 2.89Å
142Y91.9Very high91.3Very high202 Ų20273 Ų7379%0.79237%0.374SS*.Hα-helixtrans-57.7-37.2179.3-63.8-69.9000113.3Y144 T145 I146Y142-Y144 PolarHBondContact O-N 3.43Å; Y142-T145 PolarHBondContact O-N 3.41Å; Y142-I146 VanDerWaalsContact O-CB 3.27Å; Y142-I146 WeakPolarHBondContact O-CB 3.45Å; Y142-I146 WeakPolarHBondContact O-CD1 3.45Å; Y142-I146 WeakPolarHBondContact O-CG1 3.36Å; Y142-I146 PolarHBondContact O-N 3.42Å
143C91.8Very high91.7Very high64 Ų6477.3 Ų77.343%0.43240%0.396SS..Hα-helixtrans-58.8-37.6177.4-630000112.1W138 G141 G147W138-C143 HydrophobicContact CH2-CB 4.07Å; W138-C143 HydrophobicContact CZ2-CB 4.42Å; G141-C143 VanDerWaalsContact C-N 3.27Å; G141-C143 PolarHBondContact O-N 3.13Å; C143-G147 PolarHBondContact O-N 2.86Å
144Y93.7Very high92.3Very high11 Ų1168.8 Ų68.84%0.04336%0.356CS..Hα-helixtrans-67.8-50180-173.4-83.4000111.1G77 I80 L81 W138 G141 Y142 G147 L148 V205G77-Y144 WeakPolarHBondContact CA-OH 3.4Å; G77-Y144 PolarHBondContact O-OH 2.91Å; I80-Y144 WeakPolarHBondContact CB-OH 3.46Å; L81-Y144 HydrophobicContact CD1-CE2 3.99Å; L81-Y144 HydrophobicContact CD2-CE2 3.91Å; L81-Y144 HydrophobicContact CG-CE2 4.06Å; W138-Y144 AromaticContact CD1-CD2 3.87Å; W138-Y144 AromaticContact NE1-CD2 3.86Å; W138-Y144 VanDerWaalsContact O-CB 3.24Å; W138-Y144 WeakPolarHBondContact O-CB 3.39Å; G141-Y144 WeakPolarHBondContact O-CB 3.47Å; G141-Y144 PolarHBondContact O-N 3.3Å; Y142-Y144 PolarHBondContact O-N 3.43Å; Y144-G147 PolarHBondContact O-N 3.4Å; Y144-L148 HydrophobicContact CD1-CD1 3.88Å; Y144-L148 HydrophobicContact CE1-CD1 3.35Å; Y144-L148 HydrophobicContact CE1-CG 4.21Å; Y144-L148 PolarHBondContact O-N 2.73Å; Y144-V205 HydrophobicContact CD1-CG2 4.3Å; Y144-V205 HydrophobicContact CD2-CG2 3.38Å; Y144-V205 HydrophobicContact CE1-CG2 4.47Å; Y144-V205 HydrophobicContact CE2-CG2 3.6Å; Y144-V205 HydrophobicContact CG-CG2 3.74Å
145T95Very high93Very high76 Ų7668.6 Ų68.647%0.46636%0.356SS..Hα-helixtrans-62.8-45.6177.2-52.30000111.9G141 Y142 L148 V149G141-T145 PolarHBondContact O-N 2.89Å; Y142-T145 PolarHBondContact O-N 3.41Å; T145-L148 PolarHBondContact O-N 3.16Å; T145-V149 HydrophobicContact CG2-CG2 4.4Å; T145-V149 WeakPolarHBondContact O-CB 3.38Å; T145-V149 VanDerWaalsContact O-CG2 3.31Å; T145-V149 WeakPolarHBondContact O-CG2 3.45Å; T145-V149 PolarHBondContact O-N 3.07Å
146I96.8Very high93.8Very high93 Ų9367 Ų6748%0.47736%0.356SS..Hα-helixtrans-60.9-47.8178.6-70.1166.4000110Y142 L148 V149 V150Y142-I146 VanDerWaalsContact O-CB 3.27Å; Y142-I146 WeakPolarHBondContact O-CB 3.45Å; Y142-I146 WeakPolarHBondContact O-CD1 3.45Å; Y142-I146 WeakPolarHBondContact O-CG1 3.36Å; Y142-I146 PolarHBondContact O-N 3.42Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 3.22Å; I146-V149 PolarHBondContact O-N 3.14Å; I146-V150 HydrophobicContact CG2-CG2 4.15Å; I146-V150 WeakPolarHBondContact O-CB 3.35Å; I146-V150 WeakPolarHBondContact O-CG2 3.29Å; I146-V150 PolarHBondContact O-N 3.33Å
147G97.7Very high94.6Very high0 Ų060.3 Ų60.30%033%0.325CS..Hα-helixtrans-60.1-41.6179.100000112.7C143 Y144 F151 G201C143-G147 PolarHBondContact O-N 2.86Å; Y144-G147 PolarHBondContact O-N 3.4Å; G147-F151 WeakPolarHBondContact O-CB 3.32Å; G147-F151 PolarHBondContact O-N 3.3Å; G147-G201 CarbonylContact C-O 3.5Å; G147-G201 WeakPolarHBondContact CA-O 3.46Å; G147-G201 CarbonylContact O-C 3.58Å; G147-G201 WeakPolarHBondContact O-CA 3.46Å
148L97.6Very high95.2Very high25 Ų2552.3 Ų52.313%0.13129%0.29CS..Hα-helixtrans-64.9-44.3173.7-77.1179.5000113.2I80 L81 T84 Y144 T145 I146 V150 F151 Y152 V205I80-L148 HydrophobicContact CG2-CD1 4Å; I80-L148 HydrophobicContact CG2-CD2 4.3Å; L81-L148 HydrophobicContact CD2-CD2 3.85Å; L81-L148 HydrophobicContact CD2-CG 4.48Å; T84-L148 HydrophobicContact CG2-CD2 4.45Å; Y144-L148 HydrophobicContact CD1-CD1 3.88Å; Y144-L148 HydrophobicContact CE1-CD1 3.35Å; Y144-L148 HydrophobicContact CE1-CG 4.21Å; Y144-L148 PolarHBondContact O-N 2.73Å; T145-L148 PolarHBondContact O-N 3.16Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 3.22Å; L148-V150 VanDerWaalsContact C-N 3.34Å; L148-F151 WeakPolarHBondContact O-CB 3.19Å; L148-F151 PolarHBondContact O-N 3.38Å; L148-Y152 HydrophobicContact CD2-CE2 4.27Å; L148-Y152 WeakPolarHBondContact O-CD2 3.44Å; L148-Y152 PolarHBondContact O-N 3.37Å; L148-V205 HydrophobicContact CG-CG2 4.18Å
149V98.4Very high95.7Very high76 Ų7651.8 Ų51.846%0.46129%0.292SS..Hα-helixtrans-61.1-46.8177.7167.70000110.2T145 I146 F151 Y152 I153T145-V149 HydrophobicContact CG2-CG2 4.4Å; T145-V149 WeakPolarHBondContact O-CB 3.38Å; T145-V149 VanDerWaalsContact O-CG2 3.31Å; T145-V149 WeakPolarHBondContact O-CG2 3.45Å; T145-V149 PolarHBondContact O-N 3.07Å; I146-V149 PolarHBondContact O-N 3.14Å; V149-F151 VanDerWaalsContact C-N 3.31Å; V149-F151 PolarHBondContact O-N 3Å; V149-Y152 PolarHBondContact O-N 3.05Å; V149-I153 HydrophobicContact CG1-CD1 3.66Å; V149-I153 HydrophobicContact CG1-CG1 4.42Å; V149-I153 WeakPolarHBondContact O-CB 3.19Å; V149-I153 VanDerWaalsContact O-CG1 3.26Å; V149-I153 WeakPolarHBondContact O-CG1 3.45Å; V149-I153 PolarHBondContact O-N 2.83Å
150V98.6Very high96.4Very high41 Ų4154.5 Ų54.525%0.24830%0.3CS..Hα-helixtrans-59.7-43.8175.9173.60000110.4I146 L148 Y152 I153 G154 V197I146-V150 HydrophobicContact CG2-CG2 4.15Å; I146-V150 WeakPolarHBondContact O-CB 3.35Å; I146-V150 WeakPolarHBondContact O-CG2 3.29Å; I146-V150 PolarHBondContact O-N 3.33Å; L148-V150 VanDerWaalsContact C-N 3.34Å; V150-Y152 PolarHBondContact O-N 3.25Å; V150-I153 PolarHBondContact O-N 3.35Å; V150-G154 PolarHBondContact O-N 3.27Å; V150-V197 HydrophobicContact CG1-CG1 3.78Å; V150-V197 WeakPolarHBondContact CG1-O 3.13Å
151F98.7Very high97Very high0 Ų050.5 Ų50.50%027%0.267CS..Hα-helixtrans-55.3-55.4176.3-175.4-80.9000111.7T84 H88 G147 L148 V149 I153 G154 M155 E198 W199 Y202T84-F151 HydrophobicContact CG2-CD1 3.31Å; T84-F151 HydrophobicContact CG2-CD2 4.02Å; T84-F151 HydrophobicContact CG2-CE1 3.18Å; T84-F151 HydrophobicContact CG2-CE2 3.9Å; T84-F151 HydrophobicContact CG2-CG 3.75Å; T84-F151 HydrophobicContact CG2-CZ 3.49Å; T84-F151 VanDerWaalsContact CG2-CZ 3.49Å; H88-F151 HydrophobicContact CB-CZ 4.11Å; G147-F151 WeakPolarHBondContact O-CB 3.32Å; G147-F151 PolarHBondContact O-N 3.3Å; L148-F151 WeakPolarHBondContact O-CB 3.19Å; L148-F151 PolarHBondContact O-N 3.38Å; V149-F151 VanDerWaalsContact C-N 3.31Å; V149-F151 PolarHBondContact O-N 3Å; F151-I153 PolarHBondContact O-N 3.3Å; F151-G154 PolarHBondContact O-N 3.49Å; F151-M155 HydrophobicContact CE1-CB 4.41Å; F151-M155 HydrophobicContact CE1-SD 4.12Å; F151-M155 PolarHBondContact O-N 3.2Å; F151-E198 HydrophobicContact CD1-CG 4.09Å; F151-E198 HydrophobicContact CD2-CG 3.63Å; F151-E198 WeakPolarHBondContact CD2-O 3.32Å; F151-E198 HydrophobicContact CE1-CG 3.82Å; F151-E198 VanDerWaalsContact CE1-OE1 3.26Å; F151-E198 WeakPolarHBondContact CE1-OE1 3.15Å; F151-E198 HydrophobicContact CE2-CG 3.35Å; F151-E198 HydrophobicContact CG-CG 3.99Å; F151-E198 HydrophobicContact CZ-CG 3.45Å; F151-E198 VanDerWaalsContact CZ-CG 3.45Å; F151-E198 WeakPolarHBondContact CZ-OE1 3.35Å; F151-W199 HydrophobicContact CE2-CE3 4.38Å; F151-W199 HydrophobicContact CE2-CZ3 4.27Å; F151-Y202 AromaticContact CD2-CD2 3.92Å; F151-Y202 HydrophobicContact CD2-CD2 3.92Å; F151-Y202 HydrophobicContact CD2-CG 4.27Å; F151-Y202 AromaticContact CE2-CD2 3.77Å; F151-Y202 HydrophobicContact CE2-CD2 3.77Å; F151-Y202 HydrophobicContact CE2-CG 4.18Å
152Y98.6Very high97.3Very high100 Ų10050 Ų5039%0.39226%0.259SS..Hα-helixtrans-69.4-32-175.4-73.3-61.2000113.2T84 L87 L148 V149 V150 A156T84-Y152 PolarHBondContact OG1-OH 3.44Å; T84-Y152 VanDerWaalsContact OG1-OH 3.11Å; L87-Y152 HydrophobicContact CD2-CE1 4.06Å; L148-Y152 HydrophobicContact CD2-CE2 4.27Å; L148-Y152 WeakPolarHBondContact O-CD2 3.44Å; L148-Y152 PolarHBondContact O-N 3.37Å; V149-Y152 PolarHBondContact O-N 3.05Å; V150-Y152 PolarHBondContact O-N 3.25Å; Y152-A156 WeakPolarHBondContact O-CB 3.24Å; Y152-A156 PolarHBondContact O-N 2.92Å
153I98.7Very high97.6Very high92 Ų9246.3 Ų46.347%0.47225%0.245SC..Hα-helixtrans-62.7-47.5170.3-70.8169.2000110V149 V150 F151 M155 A156 I157V149-I153 HydrophobicContact CG1-CD1 3.66Å; V149-I153 HydrophobicContact CG1-CG1 4.42Å; V149-I153 WeakPolarHBondContact O-CB 3.19Å; V149-I153 VanDerWaalsContact O-CG1 3.26Å; V149-I153 WeakPolarHBondContact O-CG1 3.45Å; V149-I153 PolarHBondContact O-N 2.83Å; V150-I153 PolarHBondContact O-N 3.35Å; F151-I153 PolarHBondContact O-N 3.3Å; I153-M155 PolarHBondContact O-N 3.07Å; I153-A156 PolarHBondContact O-N 3.27Å; I153-I157 HydrophobicContact CG2-CD1 3.87Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.26Å; I153-I157 PolarHBondContact O-N 3.27Å
154G98.7Very high97.9Very high0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-58.2-47.4176.200000112.4V150 F151 A156 I157 N158 G194V150-G154 PolarHBondContact O-N 3.27Å; F151-G154 PolarHBondContact O-N 3.49Å; G154-A156 PolarHBondContact O-N 2.98Å; G154-I157 PolarHBondContact O-N 3.47Å; G154-N158 WeakPolarHBondContact O-CB 3.34Å; G154-N158 PolarHBondContact O-N 3.24Å; G154-G194 CarbonylContact C-O 3.6Å; G154-G194 VanDerWaalsContact C-O 3.24Å; G154-G194 WeakPolarHBondContact CA-O 3.41Å; G154-G194 CarbonylContact O-C 3.57Å; G154-G194 VanDerWaalsContact O-C 3.31Å; G154-G194 VanDerWaalsContact O-CA 3.29Å; G154-G194 WeakPolarHBondContact O-CA 3.42Å
155M98.7Very high98Very high15 Ų1546 Ų467%0.07424%0.239CC..Hα-helixtrans-59.6-45.5176.8-169.3180-176.100111.5L87 H91 F151 I153 I157 N158 I159 E198L87-M155 HydrophobicContact CD2-SD 4.47Å; L87-M155 HydrophobicContact CG-CE 4.04Å; H91-M155 HydrophobicContact CB-CE 3.99Å; F151-M155 HydrophobicContact CE1-CB 4.41Å; F151-M155 HydrophobicContact CE1-SD 4.12Å; F151-M155 PolarHBondContact O-N 3.2Å; I153-M155 PolarHBondContact O-N 3.07Å; M155-I157 PolarHBondContact O-N 2.87Å; M155-N158 PolarHBondContact O-N 3.28Å; M155-I159 HydrophobicContact CE-CD1 3.76Å; M155-I159 HydrophobicContact CG-CD1 3.84Å; M155-I159 HydrophobicContact CG-CG1 4.37Å; M155-I159 WeakPolarHBondContact O-CB 3.45Å; M155-I159 VanDerWaalsContact O-CG1 3.24Å; M155-I159 WeakPolarHBondContact O-CG1 3.27Å; M155-I159 PolarHBondContact O-N 3Å; M155-E198 HydrophobicContact CB-CG 4.28Å; M155-E198 WeakPolarHBondContact CB-OE1 3.16Å; M155-E198 WeakPolarHBondContact CG-OE1 3.5Å
156A98.7Very high97.9Very high60 Ų6045.2 Ų45.250%0.49623%0.227SC..Hα-helixtrans-60.6-43.8177.300000111.9Y152 I153 G154 H160Y152-A156 WeakPolarHBondContact O-CB 3.24Å; Y152-A156 PolarHBondContact O-N 2.92Å; I153-A156 PolarHBondContact O-N 3.27Å; G154-A156 PolarHBondContact O-N 2.98Å; A156-H160 WeakPolarHBondContact O-CB 3.48Å; A156-H160 PolarHBondContact O-N 3.36Å
157I98.7Very high97.8Very high34 Ų3444.3 Ų44.317%0.17422%0.224CC..Hα-helixtrans-62.1-45.2175.4-67.7165.6000110.9I153 G154 M155 S161 L183 F193I153-I157 HydrophobicContact CG2-CD1 3.87Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.26Å; I153-I157 PolarHBondContact O-N 3.27Å; G154-I157 PolarHBondContact O-N 3.47Å; M155-I157 PolarHBondContact O-N 2.87Å; I157-S161 WeakPolarHBondContact O-CB 3.17Å; I157-S161 PolarHBondContact O-N 2.89Å; I157-S161 PolarHBondContact O-OG 2.95Å; I157-L183 HydrophobicContact CD1-CD2 4.32Å; I157-L183 HydrophobicContact CG2-CD2 3.81Å; I157-F193 HydrophobicContact CD1-CE1 4.34Å; I157-F193 HydrophobicContact CG2-CD1 4.4Å
158N98.7Very high97.5Very high1 Ų146.1 Ų46.11%0.00523%0.233CC..Hα-helixtrans-58.8-53.9179.2179.1-95.6000111G154 M155 H160 S161 D162 N191 E195G154-N158 WeakPolarHBondContact O-CB 3.34Å; G154-N158 PolarHBondContact O-N 3.24Å; M155-N158 PolarHBondContact O-N 3.28Å; N158-H160 PolarHBondContact O-N 3.28Å; N158-S161 PolarHBondContact O-N 3.25Å; N158-D162 PolarHBondContact O-N 3.28Å; N158-N191 PolarHBondContact ND2-O 3.46Å; N158-E195 PolarHBondContact ND2-OE2 3.11Å
159I98.6Very high97.2Very high54 Ų5446.8 Ų46.828%0.27723%0.234SC..Hα-helixtrans-62.3-46.3-178.1-64.2179.1000111.2H91 M155 S161 D162 Y163H91-I159 VanDerWaalsContact CE1-CG1 3.46Å; H91-I159 WeakPolarHBondContact CE1-CG1 3.23Å; M155-I159 HydrophobicContact CE-CD1 3.76Å; M155-I159 HydrophobicContact CG-CD1 3.84Å; M155-I159 HydrophobicContact CG-CG1 4.37Å; M155-I159 WeakPolarHBondContact O-CB 3.45Å; M155-I159 VanDerWaalsContact O-CG1 3.24Å; M155-I159 WeakPolarHBondContact O-CG1 3.27Å; M155-I159 PolarHBondContact O-N 3Å; I159-S161 VanDerWaalsContact C-N 3.32Å; I159-S161 PolarHBondContact O-N 3.29Å; I159-D162 PolarHBondContact O-N 3.48Å; I159-Y163 WeakPolarHBondContact O-CB 3.45Å; I159-Y163 PolarHBondContact O-N 2.75Å
160H98.6Very high96.7Very high92 Ų9250.5 Ų50.543%0.42624%0.244SC..Hα-helixtrans-61.1-42.6178.4179.368.6000111.7A156 N158 Y163 I164A156-H160 WeakPolarHBondContact O-CB 3.48Å; A156-H160 PolarHBondContact O-N 3.36Å; N158-H160 PolarHBondContact O-N 3.28Å; H160-Y163 WeakPolarHBondContact O-CB 3.43Å; H160-Y163 PolarHBondContact O-N 2.99Å; H160-I164 WeakPolarHBondContact NE2-CD1 3.42Å; H160-I164 WeakPolarHBondContact O-CG1 3.35Å; H160-I164 PolarHBondContact O-N 3.36Å
161S98.4Very high95.8Very high1 Ų152.8 Ų52.81%0.00726%0.259CS..Hα-helixtrans-68.7-41.3179.6-59.40000112.1I157 N158 I159 Y163 I164 L165 F184 A190 N191I157-S161 WeakPolarHBondContact O-CB 3.17Å; I157-S161 PolarHBondContact O-N 2.89Å; I157-S161 PolarHBondContact O-OG 2.95Å; N158-S161 PolarHBondContact O-N 3.25Å; I159-S161 VanDerWaalsContact C-N 3.32Å; I159-S161 PolarHBondContact O-N 3.29Å; S161-Y163 VanDerWaalsContact C-N 3.3Å; S161-Y163 PolarHBondContact O-N 2.92Å; S161-I164 PolarHBondContact O-N 2.98Å; S161-L165 WeakPolarHBondContact O-CG 3.39Å; S161-L165 PolarHBondContact O-N 3.32Å; S161-F184 WeakPolarHBondContact O-CE2 3.37Å; S161-A190 WeakPolarHBondContact OG-CB 3.33Å; S161-N191 VanDerWaalsContact CB-N 3.33Å
162D97.8Very high94.9Very high12 Ų1262.8 Ų62.86%0.06430%0.303CS..Hα-helixtrans-65.5-34.9174.8-85.3-12.3000112.1R92 Y96 N158 I159 L165 R166 N191R92-D162 IonicContact CZ-OD2 3.82Å; R92-D162 IonicContact NH1-OD2 2.68Å; R92-D162 PolarHBondContact NH1-OD2 3.38Å; Y96-D162 HydrophobicContact CD2-CB 4.08Å; Y96-D162 VanDerWaalsContact CD2-OD2 3.25Å; Y96-D162 WeakPolarHBondContact CD2-OD2 3.49Å; Y96-D162 HydrophobicContact CE2-CB 4.16Å; Y96-D162 VanDerWaalsContact CE2-OD2 3.24Å; Y96-D162 WeakPolarHBondContact CE2-OD2 3.24Å; N158-D162 PolarHBondContact O-N 3.28Å; I159-D162 PolarHBondContact O-N 3.48Å; D162-L165 PolarHBondContact O-N 3.44Å; D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.48Å; D162-R166 PolarHBondContact O-N 3.46Å; D162-N191 VanDerWaalsContact OD1-CB 3.32Å; D162-N191 WeakPolarHBondContact OD1-CB 3.36Å; D162-N191 PolarHBondContact OD1-ND2 2.92Å
163Y97.2Very high94.2Very high125 Ų12560.2 Ų60.249%0.4930%0.295SS..Hα-helixtrans-60.2-47.6171.8174.3-93.4000111.7I159 H160 S161 R166 N167I159-Y163 WeakPolarHBondContact O-CB 3.45Å; I159-Y163 PolarHBondContact O-N 2.75Å; H160-Y163 WeakPolarHBondContact O-CB 3.43Å; H160-Y163 PolarHBondContact O-N 2.99Å; S161-Y163 VanDerWaalsContact C-N 3.3Å; S161-Y163 PolarHBondContact O-N 2.92Å; Y163-R166 PolarHBondContact O-N 3.21Å; Y163-N167 WeakPolarHBondContact CE1-ND2 3.49Å; Y163-N167 VanDerWaalsContact CE2-ND2 3.29Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.16Å; Y163-N167 PolarHBondContact O-N 3.03Å; Y163-N167 VanDerWaalsContact O-N 3.15Å; Y163-N167 PolarHBondContact O-ND2 3.41Å; Y163-N167 PolarHBondContact OH-ND2 2.91Å
164I97.3Very high93.2Very high24 Ų2460.6 Ų60.612%0.12330%0.297CS..Hα-helixtrans-58.2-52.3175.3-69.2170000110.1H160 S161 R166 N167 L168 A180 F184H160-I164 WeakPolarHBondContact NE2-CD1 3.42Å; H160-I164 WeakPolarHBondContact O-CG1 3.35Å; H160-I164 PolarHBondContact O-N 3.36Å; S161-I164 PolarHBondContact O-N 2.98Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.43Å; I164-N167 PolarHBondContact O-N 3.04Å; I164-L168 PolarHBondContact O-N 2.84Å; I164-A180 WeakPolarHBondContact CG2-O 3.29Å; I164-F184 HydrophobicContact CB-CD2 4.3Å; I164-F184 HydrophobicContact CB-CE2 4.04Å; I164-F184 HydrophobicContact CD1-CD2 4.12Å; I164-F184 HydrophobicContact CD1-CE2 4.46Å; I164-F184 HydrophobicContact CG2-CD2 3.92Å; I164-F184 HydrophobicContact CG2-CE2 3.96Å
165L95.8Very high92.6Very high45 Ų4564 Ų6424%0.23632%0.317CS..Hα-helixtrans-58-40.8-178.6-72.1174000112.7S161 D162 N167 L168 P179 F184 N191S161-L165 WeakPolarHBondContact O-CG 3.39Å; S161-L165 PolarHBondContact O-N 3.32Å; D162-L165 PolarHBondContact O-N 3.44Å; L165-N167 VanDerWaalsContact C-N 3.32Å; L165-N167 PolarHBondContact O-N 2.87Å; L165-L168 HydrophobicContact CD2-CD1 4.09Å; L165-L168 WeakPolarHBondContact O-CB 3.19Å; L165-L168 PolarHBondContact O-N 3.12Å; L165-P179 HydrophobicContact CD2-CB 4.05Å; L165-P179 HydrophobicContact CD2-CG 4.4Å; L165-F184 HydrophobicContact CD1-CZ 3.82Å; L165-F184 HydrophobicContact CD2-CE1 4.22Å; L165-F184 HydrophobicContact CD2-CE2 4.32Å; L165-F184 HydrophobicContact CD2-CZ 3.71Å; L165-F184 HydrophobicContact CG-CE1 4.48Å; L165-F184 HydrophobicContact CG-CE2 4.04Å; L165-F184 HydrophobicContact CG-CZ 3.55Å; L165-N191 HydrophobicContact CD1-CB 4.47Å
166R93.9Very high92.2Very high59 Ų5965.4 Ų65.422%0.22332%0.322CS..Hα-helixtrans-62.4-39.9177-179.218067.5-163.611.1111.9L99 R101 D162 Y163 I164 L168 R169L99-R166 WeakPolarHBondContact O-CD 3.22Å; R101-R166 HydrophobicContact CG-CG 4.17Å; D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.48Å; D162-R166 PolarHBondContact O-N 3.46Å; Y163-R166 PolarHBondContact O-N 3.21Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.43Å; R166-L168 VanDerWaalsContact C-N 3.29Å; R166-L168 PolarHBondContact O-N 2.98Å; R166-R169 PolarHBondContact O-N 3.3Å
167N94.1Very high91.9Very high74 Ų7466.4 Ų66.440%0.39632%0.315SS..Hα-helixtrans-79.2-9.6-176.8-71-31.4000114Y163 I164 L165 R169Y163-N167 WeakPolarHBondContact CE1-ND2 3.49Å; Y163-N167 VanDerWaalsContact CE2-ND2 3.29Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.16Å; Y163-N167 PolarHBondContact O-N 3.03Å; Y163-N167 VanDerWaalsContact O-N 3.15Å; Y163-N167 PolarHBondContact O-ND2 3.41Å; Y163-N167 PolarHBondContact OH-ND2 2.91Å; I164-N167 PolarHBondContact O-N 3.04Å; L165-N167 VanDerWaalsContact C-N 3.32Å; L165-N167 PolarHBondContact O-N 2.87Å; N167-R169 PolarHBondContact O-N 3.25Å
168L92.9Very high91.8Very high38 Ų3866.9 Ų66.920%0.19932%0.318CS..THydrogen-bonded Turntrans-65.7-21.8169.6-65175.5000113I164 L165 R166 K177 P179I164-L168 PolarHBondContact O-N 2.84Å; L165-L168 HydrophobicContact CD2-CD1 4.09Å; L165-L168 WeakPolarHBondContact O-CB 3.19Å; L165-L168 PolarHBondContact O-N 3.12Å; R166-L168 VanDerWaalsContact C-N 3.29Å; R166-L168 PolarHBondContact O-N 2.98Å; L168-K177 HydrophobicContact CD2-CB 4.4Å; L168-K177 WeakPolarHBondContact O-CD 3.28Å; L168-K177 PolarHBondContact O-NZ 3.41Å; L168-P179 HydrophobicContact CD1-CB 3.91Å
169R90Very high91.7Very high39 Ų3966.9 Ų66.915%0.14732%0.317CS..SBendtrans-117.1133.2-175.5-65.4179.1179163.23.1111.3R101 R166 N167 E173 V175 Y176R101-R169 HydrophobicContact CB-CB 4.48Å; R101-R169 VanDerWaalsContact CD-O 3.29Å; R101-R169 WeakPolarHBondContact CD-O 3.32Å; R101-R169 PolarHBondContact NH1-O 3.27Å; R101-R169 PolarHBondContact O-NH1 3.12Å; R166-R169 PolarHBondContact O-N 3.3Å; N167-R169 PolarHBondContact O-N 3.25Å; R169-E173 WeakPolarHBondContact CA-OE2 3.14Å; R169-E173 HydrophobicContact CB-CB 4.39Å; R169-V175 PolarHBondContact NE-O 2.94Å; R169-V175 VanDerWaalsContact NE-O 3.13Å; R169-Y176 VanDerWaalsContact NH2-CD1 3.3Å
170K87.7Confident91.5Very high155 Ų15567 Ų6767%0.67433%0.327SS*.  trans-67.3157.3161.4-66.3-179-179.8-179.70110K172 E173K170-K172 PolarHBondContact O-N 2.86Å; K170-E173 HydrophobicContact CB-CB 4.17Å; K170-E173 PolarHBondContact N-OE2 3.43Å; K170-E173 VanDerWaalsContact O-CB 3.26Å; K170-E173 WeakPolarHBondContact O-CB 3.44Å; K170-E173 PolarHBondContact O-N 3.07Å
171P80.1Confident91.3Very high88 Ų8864 Ų6457%0.57132%0.321SS*.THydrogen-bonded Turntrans-52.1132.5172.5-25.234.8000111E173P171-E173 PolarHBondContact O-N 3.19Å
172K79Confident91.2Very high211 Ų21165.9 Ų65.992%0.91734%0.34SS*.THydrogen-bonded Turntrans69.1-0.1-175.8-49.6176.8180178.60116.1K170K170-K172 PolarHBondContact O-N 2.86Å
173E84.6Confident91.2Very high46 Ų4667.5 Ų67.522%0.21535%0.348CS..  trans-76129.3175.2-171-177.3179.600110.8R169 K170 P171 V175 K177R169-E173 WeakPolarHBondContact CA-OE2 3.14Å; R169-E173 HydrophobicContact CB-CB 4.39Å; K170-E173 HydrophobicContact CB-CB 4.17Å; K170-E173 PolarHBondContact N-OE2 3.43Å; K170-E173 VanDerWaalsContact O-CB 3.26Å; K170-E173 WeakPolarHBondContact O-CB 3.44Å; K170-E173 PolarHBondContact O-N 3.07Å; P171-E173 PolarHBondContact O-N 3.19Å; E173-V175 HydrophobicContact CG-CB 4.03Å; E173-V175 HydrophobicContact CG-CG2 3.91Å; E173-K177 WeakPolarHBondContact OE1-CE 3.18Å; E173-K177 IonicContact OE1-NZ 2.84Å; E173-K177 PolarHBondContact OE1-NZ 3.47Å; E173-K177 IonicContact OE2-NZ 3.42Å; E173-K177 PolarHBondContact OE2-NZ 2.99Å
174I77.8Confident91.2Very high100 Ų10061.5 Ų61.551%0.51333%0.325SS..  trans-114.946.2180-53.3-179.5000109.8Q103Q103-I174 HydrophobicContact CG-CD1 4.47Å; Q103-I174 HydrophobicContact CG-CG2 3.45Å; Q103-I174 VanDerWaalsContact CG-CG2 3.45Å
175V86.7Confident91.2Very high72 Ų7264.7 Ų64.744%0.43634%0.339SS..  trans-108.3142.9177.5-178.10000109.3R169 E173 K177R169-V175 PolarHBondContact NE-O 2.94Å; R169-V175 VanDerWaalsContact NE-O 3.13Å; E173-V175 HydrophobicContact CG-CB 4.03Å; E173-V175 HydrophobicContact CG-CG2 3.91Å; V175-K177 HydrophobicContact CG1-CG 4.47Å
176Y89.7Confident91.3Very high44 Ų4467.9 Ų67.917%0.17335%0.349CS..  trans-94.1135169.9-68.4-76.1000109.3R35 R169 F232 F237R35-Y176 WeakPolarHBondContact CA-OH 3.35Å; R35-Y176 HydrophobicContact CB-CE1 3.74Å; R35-Y176 HydrophobicContact CB-CE2 4.12Å; R35-Y176 VanDerWaalsContact CB-CZ 3.5Å; R35-Y176 WeakPolarHBondContact CB-OH 3.3Å; R35-Y176 PolarHBondContact N-OH 2.85Å; R35-Y176 VanDerWaalsContact N-OH 3.15Å; R35-Y176 VanDerWaalsContact NH2-CD1 3.33Å; R169-Y176 VanDerWaalsContact NH2-CD1 3.3Å; Y176-F232 HydrophobicContact CD2-CZ 4.1Å; Y176-F232 HydrophobicContact CG-CE1 4.18Å; Y176-F232 HydrophobicContact CG-CZ 4.2Å; Y176-F237 VanDerWaalsContact O-CZ 3.3Å; Y176-F237 WeakPolarHBondContact O-CZ 3.31Å
177K93.4Very high91.5Very high81 Ų8165.1 Ų65.135%0.35234%0.339SS..  trans-128.6159.2175.6-61.9178.7-171151.70108.7L168 E173 V175 P179L168-K177 HydrophobicContact CD2-CB 4.4Å; L168-K177 WeakPolarHBondContact O-CD 3.28Å; L168-K177 PolarHBondContact O-NZ 3.41Å; E173-K177 WeakPolarHBondContact OE1-CE 3.18Å; E173-K177 IonicContact OE1-NZ 2.84Å; E173-K177 PolarHBondContact OE1-NZ 3.47Å; E173-K177 IonicContact OE2-NZ 3.42Å; E173-K177 PolarHBondContact OE2-NZ 2.99Å; V175-K177 HydrophobicContact CG1-CG 4.47Å; K177-P179 WeakPolarHBondContact O-CD 3.45Å
178I95.8Very high91.7Very high44 Ų4461.7 Ų61.723%0.22632%0.32CS..  trans-72.5118.9175.1-55.7175.2000107.7F237 Y240I178-F237 HydrophobicContact CD1-CB 3.65Å; I178-F237 HydrophobicContact CD1-CD1 4.06Å; I178-F237 HydrophobicContact CD1-CG 3.87Å; I178-F237 HydrophobicContact CG1-CB 3.96Å; I178-F237 HydrophobicContact CG1-CD1 3.8Å; I178-F237 HydrophobicContact CG1-CD2 4Å; I178-F237 HydrophobicContact CG1-CE1 4.31Å; I178-F237 HydrophobicContact CG1-CG 3.63Å; I178-Y240 HydrophobicContact CD1-CD2 4.27Å; I178-Y240 HydrophobicContact CG1-CD2 4.22Å; I178-Y240 HydrophobicContact CG2-CD2 3.84Å; I178-Y240 HydrophobicContact CG2-CE2 3.93Å
179P95.8Very high91.9Very high0 Ų059.9 Ų59.90%031%0.311CS..  trans-67.5138.1174.227.4-33000110L165 L168 K177 F184 Y233 R244L165-P179 HydrophobicContact CD2-CB 4.05Å; L165-P179 HydrophobicContact CD2-CG 4.4Å; L168-P179 HydrophobicContact CD1-CB 3.91Å; K177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-F184 HydrophobicContact CB-CB 4.16Å; P179-F184 HydrophobicContact CB-CD1 3.71Å; P179-F184 HydrophobicContact CB-CD2 3.84Å; P179-F184 HydrophobicContact CB-CE1 4Å; P179-F184 HydrophobicContact CB-CE2 4.11Å; P179-F184 HydrophobicContact CB-CG 3.64Å; P179-F184 HydrophobicContact CB-CZ 4.2Å; P179-F184 HydrophobicContact CG-CB 4.43Å; P179-F184 HydrophobicContact CG-CD1 3.56Å; P179-F184 HydrophobicContact CG-CE1 3.88Å; P179-F184 HydrophobicContact CG-CG 3.96Å; P179-Y233 WeakPolarHBondContact CD-OH 3.47Å; P179-Y233 HydrophobicContact CG-CE2 4.4Å; P179-R244 PolarHBondContact O-NH1 3.45Å; P179-R244 PolarHBondContact O-NH2 3.41Å
180A94.8Very high92.3Very high58 Ų5858 Ų5848%0.47930%0.304SS..  trans-134.6156.3176.100000109.9I164I164-A180 WeakPolarHBondContact CG2-O 3.29Å
181G95.2Very high92.8Very high29 Ų2951.2 Ų51.230%0.29928%0.275SS..SBendtrans91.1154.7-175.700000114.1F184 E185G181-F184 WeakPolarHBondContact O-CB 3.39Å; G181-F184 PolarHBondContact O-N 3.47Å; G181-E185 PolarHBondContact N-OE1 2.89Å
182G96.6Very high93.7Very high40 Ų4048.1 Ų48.141%0.41225%0.252SS..G310 helixtrans56.6-138.9179.500000112.6F184 E185G182-F184 PolarHBondContact O-N 3.24Å; G182-E185 PolarHBondContact O-N 3.39Å
183L97.2Very high94.6Very high45 Ų4540 Ų4024%0.23622%0.217CC..G310 helixtrans-72.2-11.1-177.7-126.570.5000114.1I157 E185 Y186 V187 A190 F193I157-L183 HydrophobicContact CD1-CD2 4.32Å; I157-L183 HydrophobicContact CG2-CD2 3.81Å; L183-E185 PolarHBondContact O-N 3.43Å; L183-Y186 HydrophobicContact CD1-CD2 4.43Å; L183-Y186 PolarHBondContact O-N 3.33Å; L183-V187 WeakPolarHBondContact O-CG2 3.48Å; L183-V187 PolarHBondContact O-N 3.35Å; L183-V187 VanDerWaalsContact O-N 3.12Å; L183-A190 HydrophobicContact CB-CB 3.88Å; L183-F193 HydrophobicContact CD2-CD1 3.39Å; L183-F193 HydrophobicContact CD2-CE1 3.7Å; L183-F193 HydrophobicContact CD2-CG 4.41Å
184F98Very high95.3Very high0 Ų037.9 Ų37.90%021%0.207CC..G310 helixtrans-64.1-18.9174.6-75-67.8000112.7S161 I164 L165 P179 G181 G182 Y186 V187 S188 A190 R244S161-F184 WeakPolarHBondContact O-CE2 3.37Å; I164-F184 HydrophobicContact CB-CD2 4.3Å; I164-F184 HydrophobicContact CB-CE2 4.04Å; I164-F184 HydrophobicContact CD1-CD2 4.12Å; I164-F184 HydrophobicContact CD1-CE2 4.46Å; I164-F184 HydrophobicContact CG2-CD2 3.92Å; I164-F184 HydrophobicContact CG2-CE2 3.96Å; L165-F184 HydrophobicContact CD1-CZ 3.82Å; L165-F184 HydrophobicContact CD2-CE1 4.22Å; L165-F184 HydrophobicContact CD2-CE2 4.32Å; L165-F184 HydrophobicContact CD2-CZ 3.71Å; L165-F184 HydrophobicContact CG-CE1 4.48Å; L165-F184 HydrophobicContact CG-CE2 4.04Å; L165-F184 HydrophobicContact CG-CZ 3.55Å; P179-F184 HydrophobicContact CB-CB 4.16Å; P179-F184 HydrophobicContact CB-CD1 3.71Å; P179-F184 HydrophobicContact CB-CD2 3.84Å; P179-F184 HydrophobicContact CB-CE1 4Å; P179-F184 HydrophobicContact CB-CE2 4.11Å; P179-F184 HydrophobicContact CB-CG 3.64Å; P179-F184 HydrophobicContact CB-CZ 4.2Å; P179-F184 HydrophobicContact CG-CB 4.43Å; P179-F184 HydrophobicContact CG-CD1 3.56Å; P179-F184 HydrophobicContact CG-CE1 3.88Å; P179-F184 HydrophobicContact CG-CG 3.96Å; G181-F184 WeakPolarHBondContact O-CB 3.39Å; G181-F184 PolarHBondContact O-N 3.47Å; G182-F184 PolarHBondContact O-N 3.24Å; F184-Y186 PolarHBondContact O-N 2.86Å; F184-V187 WeakPolarHBondContact CA-O 3.32Å; F184-S188 WeakPolarHBondContact CE1-O 3.31Å; F184-A190 HydrophobicContact CD1-CB 3.64Å; F184-A190 HydrophobicContact CD2-CB 4.09Å; F184-A190 HydrophobicContact CE1-CB 3.61Å; F184-A190 HydrophobicContact CE2-CB 4.06Å; F184-A190 HydrophobicContact CG-CB 3.88Å; F184-A190 HydrophobicContact CZ-CB 3.81Å; F184-R244 WeakPolarHBondContact O-CD 3.47Å; F184-R244 PolarHBondContact O-NE 2.92Å; F184-R244 PolarHBondContact O-NH1 3.35Å; F184-R244 PolarHBondContact O-NH2 3.24Å
185E96.9Very high96.2Very high90 Ų9034.6 Ų34.642%0.42119%0.19SC..G310 helixtrans-64.5-23.8173.3-61.2-48.3144.600113.5G181 G182 L183 R244G181-E185 PolarHBondContact N-OE1 2.89Å; G182-E185 PolarHBondContact O-N 3.39Å; L183-E185 PolarHBondContact O-N 3.43Å; E185-R244 WeakPolarHBondContact O-CG 3.32Å; E185-R244 IonicContact OE1-NH2 3.45Å; E185-R244 PolarHBondContact OE1-NH2 3.47Å; E185-R244 IonicContact OE2-CZ 3.88Å; E185-R244 IonicContact OE2-NH2 2.91Å; E185-R244 PolarHBondContact OE2-NH2 2.97Å
186Y97.8Very high96.8Very high113 Ų11331.8 Ų31.844%0.44317%0.172SC..THydrogen-bonded Turntrans-105.9-36-178.9-54.2-78.4000112.8L183 F184 R244 K245 F250L183-Y186 HydrophobicContact CD1-CD2 4.43Å; L183-Y186 PolarHBondContact O-N 3.33Å; F184-Y186 PolarHBondContact O-N 2.86Å; Y186-R244 CarbonylContact O-C 3.38Å; Y186-R244 WeakPolarHBondContact O-CA 3.38Å; Y186-K245 PolarHBondContact O-N 3.35Å; Y186-F250 AromaticContact CD1-CE1 3.72Å; Y186-F250 HydrophobicContact CD1-CE1 3.72Å; Y186-F250 HydrophobicContact CD1-CE2 4.27Å; Y186-F250 AromaticContact CD1-CZ 3.39Å; Y186-F250 HydrophobicContact CD1-CZ 3.39Å; Y186-F250 HydrophobicContact CE1-CE1 4.08Å; Y186-F250 AromaticContact CE1-CZ 3.59Å; Y186-F250 HydrophobicContact CE1-CZ 3.59Å; Y186-F250 HydrophobicContact CG-CZ 4.36Å
187V98.3Very high97.2Very high0 Ų031.2 Ų31.20%017%0.173CC..BIsolated β-bridgetrans-136.6147.2-171.9-64.50000113.4L183 F184 A190 K245 L247 P249L183-V187 WeakPolarHBondContact O-CG2 3.48Å; L183-V187 PolarHBondContact O-N 3.35Å; L183-V187 VanDerWaalsContact O-N 3.12Å; F184-V187 WeakPolarHBondContact CA-O 3.32Å; V187-A190 HydrophobicContact CG2-CB 4Å; V187-K245 CarbonylContact C-O 3.24Å; V187-K245 VanDerWaalsContact CA-O 3.22Å; V187-K245 WeakPolarHBondContact CA-O 3.45Å; V187-K245 HydrophobicContact CG1-CB 4.21Å; V187-L247 WeakPolarHBondContact CG1-O 3.08Å; V187-P249 HydrophobicContact CG1-CB 4.28Å; V187-P249 HydrophobicContact CG1-CG 3.86Å
188S97.8Very high97.5Very high2 Ų227.3 Ų27.31%0.01416%0.156CC..THydrogen-bonded Turntrans-72.5-34.8177.5-57.30000113.9F184 H230 Y240 K245 A246F184-S188 WeakPolarHBondContact CE1-O 3.31Å; S188-H230 WeakPolarHBondContact OG-CB 3.31Å; S188-H230 PolarHBondContact OG-ND1 3.33Å; S188-Y240 WeakPolarHBondContact CB-OH 3.34Å; S188-Y240 PolarHBondContact OG-OH 2.87Å; S188-K245 PolarHBondContact N-O 3.1Å; S188-K245 PolarHBondContact OG-O 3.16Å; S188-A246 PolarHBondContact N-O 3.3Å
189G97.3Very high97.6Very high0 Ų025.3 Ų25.30%015%0.146CC..THydrogen-bonded Turntrans-10651.8-178.300000112.1N191 Y192 F193 A246G189-N191 VanDerWaalsContact C-N 3.28Å; G189-N191 PolarHBondContact O-N 3Å; G189-Y192 WeakPolarHBondContact O-CB 3.33Å; G189-Y192 PolarHBondContact O-N 3.35Å; G189-F193 PolarHBondContact O-N 2.88Å; G189-A246 PolarHBondContact N-O 3.46Å
190A98.3Very high97.7Very high0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-56.4-38.6-176.700000113.5S161 L183 F184 V187 F193 G194S161-A190 WeakPolarHBondContact OG-CB 3.33Å; L183-A190 HydrophobicContact CB-CB 3.88Å; F184-A190 HydrophobicContact CD1-CB 3.64Å; F184-A190 HydrophobicContact CD2-CB 4.09Å; F184-A190 HydrophobicContact CE1-CB 3.61Å; F184-A190 HydrophobicContact CE2-CB 4.06Å; F184-A190 HydrophobicContact CG-CB 3.88Å; F184-A190 HydrophobicContact CZ-CB 3.81Å; V187-A190 HydrophobicContact CG2-CB 4Å; A190-F193 PolarHBondContact O-N 3.34Å; A190-G194 PolarHBondContact O-N 3.36Å
191N98.1Very high97.9Very high13 Ų1326 Ų267%0.0714%0.138CC..Hα-helixtrans-64.8-41.817560.6-28.9000112.1N158 S161 D162 L165 G189 G194 E195N158-N191 PolarHBondContact ND2-O 3.46Å; S161-N191 VanDerWaalsContact CB-N 3.33Å; D162-N191 VanDerWaalsContact OD1-CB 3.32Å; D162-N191 WeakPolarHBondContact OD1-CB 3.36Å; D162-N191 PolarHBondContact OD1-ND2 2.92Å; L165-N191 HydrophobicContact CD1-CB 4.47Å; G189-N191 VanDerWaalsContact C-N 3.28Å; G189-N191 PolarHBondContact O-N 3Å; N191-G194 PolarHBondContact O-N 2.84Å; N191-E195 PolarHBondContact O-N 2.9Å
192Y98.2Very high98Very high22 Ų2224.6 Ų24.69%0.08612%0.124CC..Hα-helixtrans-65.9-39.2175.4-59.9-30.7000112.2G189 E195 L196 I222 R225 A226 H229G189-Y192 WeakPolarHBondContact O-CB 3.33Å; G189-Y192 PolarHBondContact O-N 3.35Å; Y192-E195 PolarHBondContact O-N 3.4Å; Y192-L196 WeakPolarHBondContact O-CG 3.27Å; Y192-L196 PolarHBondContact O-N 2.95Å; Y192-I222 HydrophobicContact CD1-CB 4.03Å; Y192-I222 HydrophobicContact CD1-CD1 4.41Å; Y192-I222 HydrophobicContact CD1-CG2 4.33Å; Y192-I222 HydrophobicContact CG-CB 4.03Å; Y192-I222 HydrophobicContact CG-CG1 4.37Å; Y192-R225 HydrophobicContact CE2-CB 4.35Å; Y192-R225 HydrophobicContact CE2-CG 4.04Å; Y192-R225 WeakPolarHBondContact OH-CD 3.29Å; Y192-R225 PolarHBondContact OH-NE 3.37Å; Y192-R225 PolarHBondContact OH-NH1 3.23Å; Y192-A226 HydrophobicContact CD2-CB 3.95Å; Y192-H229 AromaticContact CE2-CE1 3.58Å; Y192-H229 AromaticContact CE2-ND1 3.6Å; Y192-H229 AromaticContact CZ-CE1 3.81Å; Y192-H229 PolarHBondContact OH-CE1 3.31Å
193F98.5Very high98.1Very high42 Ų4223.1 Ų23.118%0.18411%0.107CC..Hα-helixtrans-59.4-48.1173.6176.9-101.8000111.2I157 L183 G189 A190 E195 L196 V197 L247 P249I157-F193 HydrophobicContact CD1-CE1 4.34Å; I157-F193 HydrophobicContact CG2-CD1 4.4Å; L183-F193 HydrophobicContact CD2-CD1 3.39Å; L183-F193 HydrophobicContact CD2-CE1 3.7Å; L183-F193 HydrophobicContact CD2-CG 4.41Å; G189-F193 PolarHBondContact O-N 2.88Å; A190-F193 PolarHBondContact O-N 3.34Å; F193-E195 VanDerWaalsContact C-N 3.31Å; F193-E195 PolarHBondContact O-N 2.99Å; F193-L196 PolarHBondContact O-N 3.49Å; F193-V197 HydrophobicContact CD1-CG2 4.2Å; F193-V197 HydrophobicContact CD2-CG2 4.4Å; F193-V197 HydrophobicContact CE1-CG2 3.74Å; F193-V197 HydrophobicContact CE2-CG2 3.96Å; F193-V197 HydrophobicContact CZ-CG2 3.61Å; F193-V197 WeakPolarHBondContact O-CG2 3.5Å; F193-V197 PolarHBondContact O-N 2.82Å; F193-L247 HydrophobicContact CB-CD1 4.07Å; F193-L247 WeakPolarHBondContact CB-O 3.4Å; F193-L247 WeakPolarHBondContact CD2-O 3.45Å; F193-L247 WeakPolarHBondContact CG-O 3.48Å; F193-P249 HydrophobicContact CZ-CG 4.37Å
194G98.5Very high98.1Very high0 Ų023.7 Ų23.70%011%0.11CC..Hα-helixtrans-56.2-45.2175.800000112.6G154 A190 N191 L196 V197 E198G154-G194 CarbonylContact C-O 3.6Å; G154-G194 VanDerWaalsContact C-O 3.24Å; G154-G194 WeakPolarHBondContact CA-O 3.41Å; G154-G194 CarbonylContact O-C 3.57Å; G154-G194 VanDerWaalsContact O-C 3.31Å; G154-G194 VanDerWaalsContact O-CA 3.29Å; G154-G194 WeakPolarHBondContact O-CA 3.42Å; A190-G194 PolarHBondContact O-N 3.36Å; N191-G194 PolarHBondContact O-N 2.84Å; G194-L196 VanDerWaalsContact C-N 3.34Å; G194-L196 PolarHBondContact O-N 3.42Å; G194-V197 PolarHBondContact O-N 2.96Å; G194-E198 WeakPolarHBondContact O-CB 3.41Å; G194-E198 PolarHBondContact O-N 3.17Å
195E98.5Very high98Very high32 Ų3223.8 Ų23.815%0.1511%0.11CC..Hα-helixtrans-65.6-34.5178.9-162.3168.1163.100112.9N158 N191 Y192 F193 E198 W199 I222N158-E195 PolarHBondContact ND2-OE2 3.11Å; N191-E195 PolarHBondContact O-N 2.9Å; Y192-E195 PolarHBondContact O-N 3.4Å; F193-E195 VanDerWaalsContact C-N 3.31Å; F193-E195 PolarHBondContact O-N 2.99Å; E195-E198 WeakPolarHBondContact O-CB 3.41Å; E195-E198 PolarHBondContact O-N 3.38Å; E195-W199 PolarHBondContact O-N 3.48Å; E195-I222 HydrophobicContact CB-CD1 3.98Å; E195-I222 HydrophobicContact CG-CD1 4.27Å
196L98.3Very high97.9Very high13 Ų1319.5 Ų19.57%0.0689%0.091CC..Hα-helixtrans-66.8-49.2172.1-67.7-176.1000111.7Y192 F193 G194 E198 W199 F200 L219 I222 L247Y192-L196 WeakPolarHBondContact O-CG 3.27Å; Y192-L196 PolarHBondContact O-N 2.95Å; F193-L196 PolarHBondContact O-N 3.49Å; G194-L196 VanDerWaalsContact C-N 3.34Å; G194-L196 PolarHBondContact O-N 3.42Å; L196-E198 PolarHBondContact O-N 2.97Å; L196-W199 PolarHBondContact O-N 3.06Å; L196-F200 HydrophobicContact CB-CD2 4.4Å; L196-F200 WeakPolarHBondContact O-CB 3.38Å; L196-F200 VanDerWaalsContact O-CD2 3.23Å; L196-F200 WeakPolarHBondContact O-CD2 3.47Å; L196-F200 PolarHBondContact O-N 3.03Å; L196-L219 HydrophobicContact CD1-CD1 3.64Å; L196-L219 VanDerWaalsContact CD2-CA 3.42Å; L196-L219 HydrophobicContact CD2-CB 3.94Å; L196-L219 HydrophobicContact CD2-CD1 4.35Å; L196-I222 HydrophobicContact CD2-CD1 3.61Å; L196-I222 HydrophobicContact CD2-CG1 3.81Å; L196-I222 HydrophobicContact CG-CD1 3.84Å; L196-I222 HydrophobicContact CG-CG1 4.1Å; L196-L247 HydrophobicContact CD1-CD1 4.22Å; L196-L247 HydrophobicContact CD1-CD2 3.7Å; L196-L247 HydrophobicContact CD1-CG 4.21Å
197V98.6Very high97.8Very high31 Ų3123.1 Ų23.119%0.18810%0.104CC..Hα-helixtrans-56.1-41176.9174.60000109.9V150 F193 G194 G201V150-V197 HydrophobicContact CG1-CG1 3.78Å; V150-V197 WeakPolarHBondContact CG1-O 3.13Å; F193-V197 HydrophobicContact CD1-CG2 4.2Å; F193-V197 HydrophobicContact CD2-CG2 4.4Å; F193-V197 HydrophobicContact CE1-CG2 3.74Å; F193-V197 HydrophobicContact CE2-CG2 3.96Å; F193-V197 HydrophobicContact CZ-CG2 3.61Å; F193-V197 WeakPolarHBondContact O-CG2 3.5Å; F193-V197 PolarHBondContact O-N 2.82Å; G194-V197 PolarHBondContact O-N 2.96Å; V197-G201 PolarHBondContact O-N 2.97Å
198E98.5Very high97.7Very high0 Ų023.7 Ų23.70%011%0.107CC..Hα-helixtrans-57.9-57.1175.9-175.4171.4-167.100111.8H88 F151 M155 G194 E195 L196 F200 G201 Y202H88-E198 IonicContact CE1-OE1 3.71Å; H88-E198 IonicContact CE1-OE2 3.4Å; H88-E198 PolarHBondContact CE1-OE2 3.14Å; H88-E198 IonicContact CG-OE1 3.4Å; H88-E198 IonicContact ND1-OE1 2.68Å; H88-E198 PolarHBondContact ND1-OE1 3.35Å; H88-E198 IonicContact ND1-OE2 3.11Å; H88-E198 PolarHBondContact ND1-OE2 3.26Å; H88-E198 VanDerWaalsContact ND1-OE2 3.11Å; F151-E198 HydrophobicContact CD1-CG 4.09Å; F151-E198 HydrophobicContact CD2-CG 3.63Å; F151-E198 WeakPolarHBondContact CD2-O 3.32Å; F151-E198 HydrophobicContact CE1-CG 3.82Å; F151-E198 VanDerWaalsContact CE1-OE1 3.26Å; F151-E198 WeakPolarHBondContact CE1-OE1 3.15Å; F151-E198 HydrophobicContact CE2-CG 3.35Å; F151-E198 HydrophobicContact CG-CG 3.99Å; F151-E198 HydrophobicContact CZ-CG 3.45Å; F151-E198 VanDerWaalsContact CZ-CG 3.45Å; F151-E198 WeakPolarHBondContact CZ-OE1 3.35Å; M155-E198 HydrophobicContact CB-CG 4.28Å; M155-E198 WeakPolarHBondContact CB-OE1 3.16Å; M155-E198 WeakPolarHBondContact CG-OE1 3.5Å; G194-E198 WeakPolarHBondContact O-CB 3.41Å; G194-E198 PolarHBondContact O-N 3.17Å; E195-E198 WeakPolarHBondContact O-CB 3.41Å; E195-E198 PolarHBondContact O-N 3.38Å; L196-E198 PolarHBondContact O-N 2.97Å; E198-F200 PolarHBondContact O-N 2.75Å; E198-G201 PolarHBondContact O-N 3.13Å; E198-Y202 PolarHBondContact O-N 3.38Å
199W98.5Very high97.7Very high2 Ų226.7 Ų26.71%0.00812%0.123CC..Hα-helixtrans-70.1-31.6-177.3-66.4122.3000114.2F85 H88 Y89 F151 E195 L196 Y202 A203 I214 A215F85-W199 AromaticContact CD2-CH2 3.89Å; F85-W199 HydrophobicContact CD2-CH2 3.89Å; F85-W199 AromaticContact CD2-CZ3 3.76Å; F85-W199 HydrophobicContact CD2-CZ3 3.76Å; F85-W199 AromaticContact CE2-CH2 3.78Å; F85-W199 HydrophobicContact CE2-CH2 3.78Å; F85-W199 AromaticContact CE2-CZ3 3.88Å; F85-W199 HydrophobicContact CE2-CZ3 3.88Å; H88-W199 AromaticContact CD2-CH2 3.81Å; H88-W199 AromaticContact CD2-CZ2 3.54Å; H88-W199 AromaticContact CE1-CZ2 3.89Å; H88-W199 AromaticContact NE2-CZ2 3.45Å; H88-W199 WeakPolarHBondContact NE2-CZ2 3.43Å; Y89-W199 HydrophobicContact CD2-CH2 4.46Å; Y89-W199 AromaticContact CE2-CH2 3.73Å; Y89-W199 HydrophobicContact CE2-CH2 3.73Å; Y89-W199 HydrophobicContact CE2-CZ2 4.06Å; F151-W199 HydrophobicContact CE2-CE3 4.38Å; F151-W199 HydrophobicContact CE2-CZ3 4.27Å; E195-W199 PolarHBondContact O-N 3.48Å; L196-W199 PolarHBondContact O-N 3.06Å; W199-Y202 HydrophobicContact CE3-CD1 4.33Å; W199-Y202 HydrophobicContact CE3-CG 4.23Å; W199-Y202 HydrophobicContact CZ3-CD1 4.38Å; W199-Y202 HydrophobicContact CZ3-CG 4.33Å; W199-Y202 WeakPolarHBondContact O-CB 3.44Å; W199-Y202 PolarHBondContact O-N 3.35Å; W199-A203 PolarHBondContact O-N 3.28Å; W199-I214 HydrophobicContact CD2-CD1 3.79Å; W199-I214 HydrophobicContact CD2-CG1 4.13Å; W199-I214 HydrophobicContact CE3-CD1 3.63Å; W199-I214 HydrophobicContact CE3-CG1 4.27Å; W199-I214 HydrophobicContact CE3-CG2 4.21Å; W199-I214 HydrophobicContact CG-CG1 4.5Å; W199-I214 HydrophobicContact CH2-CD1 3.69Å; W199-I214 HydrophobicContact CZ2-CD1 3.82Å; W199-I214 HydrophobicContact CZ3-CD1 3.6Å; W199-A215 HydrophobicContact CB-CB 4.08Å
200F98.4Very high97.7Very high72 Ų7226.7 Ų26.732%0.31612%0.123SC..Hα-helixtrans-68.6-38.1171.2-83.4-73.7000111.6L196 E198 Y202 A203 I204 I212 A215 L219L196-F200 HydrophobicContact CB-CD2 4.4Å; L196-F200 WeakPolarHBondContact O-CB 3.38Å; L196-F200 VanDerWaalsContact O-CD2 3.23Å; L196-F200 WeakPolarHBondContact O-CD2 3.47Å; L196-F200 PolarHBondContact O-N 3.03Å; E198-F200 PolarHBondContact O-N 2.75Å; F200-Y202 VanDerWaalsContact C-N 3.3Å; F200-Y202 PolarHBondContact O-N 2.94Å; F200-A203 PolarHBondContact O-N 3.38Å; F200-I204 WeakPolarHBondContact O-CD1 3.44Å; F200-I204 VanDerWaalsContact O-CG1 3.26Å; F200-I204 WeakPolarHBondContact O-CG1 3.1Å; F200-I204 PolarHBondContact O-N 3.43Å; F200-I212 HydrophobicContact CE1-CD1 4.28Å; F200-A215 HydrophobicContact CD1-CB 4.03Å; F200-A215 HydrophobicContact CD2-CB 4.43Å; F200-A215 HydrophobicContact CE1-CB 4.12Å; F200-A215 HydrophobicContact CE2-CB 4.5Å; F200-A215 HydrophobicContact CG-CB 4.18Å; F200-A215 HydrophobicContact CZ-CB 4.34Å; F200-L219 HydrophobicContact CE2-CB 4.42Å; F200-L219 HydrophobicContact CE2-CD2 4.45Å; F200-L219 HydrophobicContact CZ-CD2 4.18Å
201G98.4Very high97.6Very high0 Ų026.7 Ų26.70%012%0.123CC..Hα-helixtrans-57.6-44.816900000111.7G147 V197 E198 A203 I204 V205G147-G201 CarbonylContact C-O 3.5Å; G147-G201 WeakPolarHBondContact CA-O 3.46Å; G147-G201 CarbonylContact O-C 3.58Å; G147-G201 WeakPolarHBondContact O-CA 3.46Å; V197-G201 PolarHBondContact O-N 2.97Å; E198-G201 PolarHBondContact O-N 3.13Å; G201-A203 PolarHBondContact O-N 3.18Å; G201-I204 PolarHBondContact O-N 3.11Å; G201-V205 WeakPolarHBondContact O-CG1 3.4Å; G201-V205 PolarHBondContact O-N 3.4Å; G201-V205 VanDerWaalsContact O-N 3.07Å
202Y98.1Very high97.6Very high0 Ų029.3 Ų29.30%014%0.136CC..Hα-helixtrans-58.5-47.5174.5-161.4-107.4000112F85 L128 F151 E198 W199 F200 I204 V205 T206F85-Y202 HydrophobicContact CB-CE2 4.12Å; F85-Y202 HydrophobicContact CD2-CE1 4.25Å; F85-Y202 HydrophobicContact CD2-CE2 4.49Å; F85-Y202 AromaticContact CD2-CZ 3.98Å; L128-Y202 WeakPolarHBondContact CD1-OH 3.49Å; F151-Y202 AromaticContact CD2-CD2 3.92Å; F151-Y202 HydrophobicContact CD2-CD2 3.92Å; F151-Y202 HydrophobicContact CD2-CG 4.27Å; F151-Y202 AromaticContact CE2-CD2 3.77Å; F151-Y202 HydrophobicContact CE2-CD2 3.77Å; F151-Y202 HydrophobicContact CE2-CG 4.18Å; E198-Y202 PolarHBondContact O-N 3.38Å; W199-Y202 HydrophobicContact CE3-CD1 4.33Å; W199-Y202 HydrophobicContact CE3-CG 4.23Å; W199-Y202 HydrophobicContact CZ3-CD1 4.38Å; W199-Y202 HydrophobicContact CZ3-CG 4.33Å; W199-Y202 WeakPolarHBondContact O-CB 3.44Å; W199-Y202 PolarHBondContact O-N 3.35Å; F200-Y202 VanDerWaalsContact C-N 3.3Å; F200-Y202 PolarHBondContact O-N 2.94Å; Y202-I204 VanDerWaalsContact C-N 3.31Å; Y202-I204 PolarHBondContact O-N 2.92Å; Y202-V205 WeakPolarHBondContact O-CG1 3.46Å; Y202-V205 PolarHBondContact O-N 3.42Å; Y202-T206 HydrophobicContact CD1-CG2 3.9Å; Y202-T206 HydrophobicContact CD2-CG2 4.47Å; Y202-T206 HydrophobicContact CE1-CG2 3.59Å; Y202-T206 HydrophobicContact CE2-CG2 4.2Å; Y202-T206 HydrophobicContact CG-CG2 4.34Å; Y202-T206 WeakPolarHBondContact O-CG2 3.38Å; Y202-T206 PolarHBondContact O-N 2.95Å; Y202-T206 PolarHBondContact O-OG1 3.28Å
203A97.9Very high97.6Very high8 Ų828.2 Ų28.27%0.06613%0.132CC..Hα-helixtrans-61.5-37.6178.500000112.7W199 F200 G201 W207 G211 I212 A215W199-A203 PolarHBondContact O-N 3.28Å; F200-A203 PolarHBondContact O-N 3.38Å; G201-A203 PolarHBondContact O-N 3.18Å; A203-W207 WeakPolarHBondContact O-CA 3.46Å; A203-W207 PolarHBondContact O-N 3.43Å; A203-G211 WeakPolarHBondContact CB-O 3.4Å; A203-I212 HydrophobicContact CB-CB 4.46Å; A203-I212 HydrophobicContact CB-CD1 4.24Å; A203-A215 HydrophobicContact CB-CB 4.12Å
204I96.9Very high97.6Very high58 Ų5826.3 Ų26.330%0.29712%0.123SC..Hα-helixtrans-64-48176.1-69162.7000110.5F200 G201 Y202 W207F200-I204 WeakPolarHBondContact O-CD1 3.44Å; F200-I204 VanDerWaalsContact O-CG1 3.26Å; F200-I204 WeakPolarHBondContact O-CG1 3.1Å; F200-I204 PolarHBondContact O-N 3.43Å; G201-I204 PolarHBondContact O-N 3.11Å; Y202-I204 VanDerWaalsContact C-N 3.31Å; Y202-I204 PolarHBondContact O-N 2.92Å; I204-W207 PolarHBondContact O-N 3Å
205V96.2Very high97.6Very high1 Ų126.3 Ų26.31%0.00612%0.123CC..Hα-helixtrans-72.5-37-176.662.50000113L81 W138 Y144 L148 G201 Y202 W207L81-V205 HydrophobicContact CD1-CG2 4.05Å; L81-V205 HydrophobicContact CD2-CB 4.21Å; L81-V205 HydrophobicContact CD2-CG1 3.73Å; L81-V205 HydrophobicContact CD2-CG2 3.35Å; L81-V205 HydrophobicContact CG-CG2 4.31Å; W138-V205 PolarHBondContact NE1-O 2.99Å; W138-V205 VanDerWaalsContact NE1-O 3.14Å; Y144-V205 HydrophobicContact CD1-CG2 4.3Å; Y144-V205 HydrophobicContact CD2-CG2 3.38Å; Y144-V205 HydrophobicContact CE1-CG2 4.47Å; Y144-V205 HydrophobicContact CE2-CG2 3.6Å; Y144-V205 HydrophobicContact CG-CG2 3.74Å; L148-V205 HydrophobicContact CG-CG2 4.18Å; G201-V205 WeakPolarHBondContact O-CG1 3.4Å; G201-V205 PolarHBondContact O-N 3.4Å; G201-V205 VanDerWaalsContact O-N 3.07Å; Y202-V205 WeakPolarHBondContact O-CG1 3.46Å; Y202-V205 PolarHBondContact O-N 3.42Å; V205-W207 VanDerWaalsContact C-N 3.34Å
206T95.4Very high97.5Very high1 Ų126.4 Ų26.41%0.00613%0.126CC..Hα-helixtrans-77.1-25.4176.867.80000112.4L81 L128 F134 Y202 S208L81-T206 HydrophobicContact CD1-CG2 4.02Å; L128-T206 HydrophobicContact CD2-CG2 4.45Å; F134-T206 WeakPolarHBondContact CE1-O 3.28Å; F134-T206 WeakPolarHBondContact CZ-O 3.49Å; Y202-T206 HydrophobicContact CD1-CG2 3.9Å; Y202-T206 HydrophobicContact CD2-CG2 4.47Å; Y202-T206 HydrophobicContact CE1-CG2 3.59Å; Y202-T206 HydrophobicContact CE2-CG2 4.2Å; Y202-T206 HydrophobicContact CG-CG2 4.34Å; Y202-T206 WeakPolarHBondContact O-CG2 3.38Å; Y202-T206 PolarHBondContact O-N 2.95Å; Y202-T206 PolarHBondContact O-OG1 3.28Å; T206-S208 WeakPolarHBondContact CB-OG 3.49Å; T206-S208 WeakPolarHBondContact O-CB 3.38Å; T206-S208 PolarHBondContact O-N 2.92Å; T206-S208 VanDerWaalsContact O-N 3.13Å; T206-S208 PolarHBondContact OG1-OG 3.5Å
207W95.6Very high97.5Very high189 Ų18927 Ų2772%0.71613%0.128SC*.THydrogen-bonded Turntrans41.347.7-174-160.2-104.4000112.8W138 A203 I204 V205W138-W207 HydrophobicContact CH2-CB 3.56Å; W138-W207 HydrophobicContact CH2-CD2 4.35Å; W138-W207 AromaticContact CH2-CG 3.8Å; W138-W207 HydrophobicContact CH2-CG 3.8Å; W138-W207 HydrophobicContact CZ2-CB 3.45Å; W138-W207 VanDerWaalsContact CZ2-CB 3.45Å; W138-W207 HydrophobicContact CZ2-CG 4.21Å; A203-W207 WeakPolarHBondContact O-CA 3.46Å; A203-W207 PolarHBondContact O-N 3.43Å; I204-W207 PolarHBondContact O-N 3Å; V205-W207 VanDerWaalsContact C-N 3.34Å
208S95.4Very high97.4Very high11 Ų1126 Ų268%0.07712%0.123CC..SBendtrans-133153.2-168.172.80000112.4Y127 T206 G211 I212Y127-S208 WeakPolarHBondContact CE1-OG 3.18Å; Y127-S208 WeakPolarHBondContact OH-CB 3.44Å; T206-S208 WeakPolarHBondContact CB-OG 3.49Å; T206-S208 WeakPolarHBondContact O-CB 3.38Å; T206-S208 PolarHBondContact O-N 2.92Å; T206-S208 VanDerWaalsContact O-N 3.13Å; T206-S208 PolarHBondContact OG1-OG 3.5Å; S208-G211 PolarHBondContact O-N 3.32Å; S208-G211 VanDerWaalsContact O-N 3.11Å; S208-G211 PolarHBondContact OG-N 3.13Å; S208-I212 PolarHBondContact O-N 3.35Å
209L97.3Very high97.3Very high65 Ų6529.3 Ų29.334%0.3414%0.14SC..Hα-helixtrans-57.6-45.4175.8-17763.9000111.9L16 G211 I212 S213L16-L209 HydrophobicContact CD1-CD1 4.34Å; L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 3.42Å; L209-I212 HydrophobicContact CD1-CG2 4.17Å; L209-I212 VanDerWaalsContact O-CG2 3.26Å; L209-I212 WeakPolarHBondContact O-CG2 3.48Å; L209-I212 PolarHBondContact O-N 2.84Å; L209-S213 VanDerWaalsContact O-CB 3.32Å; L209-S213 WeakPolarHBondContact O-CB 3.2Å; L209-S213 PolarHBondContact O-N 2.88Å; L209-S213 PolarHBondContact O-OG 3.48Å
210P97.4Very high97.1Very high1 Ų129.5 Ų29.51%0.00614%0.142CC..Hα-helixtrans-57-41172.2-30.439.1000114.3V8 L123 Q124 Y127 S213 I214V8-P210 HydrophobicContact CG1-CG 3.52Å; L123-P210 HydrophobicContact CD1-CB 4.33Å; L123-P210 HydrophobicContact CD1-CG 4.08Å; L123-P210 HydrophobicContact CD2-CB 4.35Å; L123-P210 HydrophobicContact CG-CB 4.05Å; L123-P210 HydrophobicContact CG-CG 4.36Å; Q124-P210 PolarHBondContact NE2-O 3.48Å; Y127-P210 HydrophobicContact CD1-CG 4.31Å; Y127-P210 HydrophobicContact CD2-CG 3.92Å; Y127-P210 HydrophobicContact CG-CB 4.46Å; Y127-P210 HydrophobicContact CG-CG 3.8Å; P210-S213 PolarHBondContact O-N 3.22Å; P210-I214 PolarHBondContact O-N 3.22Å; P210-I214 VanDerWaalsContact O-N 3.14Å
211G97.4Very high96.8Very high0 Ų028.8 Ų28.80%014%0.139CC..Hα-helixtrans-65.7-46.2-179.200000112.4A203 S208 L209 S213 I214 A215A203-G211 WeakPolarHBondContact CB-O 3.4Å; S208-G211 PolarHBondContact O-N 3.32Å; S208-G211 VanDerWaalsContact O-N 3.11Å; S208-G211 PolarHBondContact OG-N 3.13Å; L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 3.42Å; G211-S213 VanDerWaalsContact C-N 3.33Å; G211-I214 WeakPolarHBondContact O-CG2 3.42Å; G211-I214 PolarHBondContact O-N 3.04Å; G211-A215 PolarHBondContact O-N 3.34Å
212I98Very high96.5Very high67 Ų6729.4 Ų29.434%0.34414%0.142SC..Hα-helixtrans-69.2-34.3175.9-167.462000111.7F200 A203 S208 L209 I214 A215 V216F200-I212 HydrophobicContact CE1-CD1 4.28Å; A203-I212 HydrophobicContact CB-CB 4.46Å; A203-I212 HydrophobicContact CB-CD1 4.24Å; S208-I212 PolarHBondContact O-N 3.35Å; L209-I212 HydrophobicContact CD1-CG2 4.17Å; L209-I212 VanDerWaalsContact O-CG2 3.26Å; L209-I212 WeakPolarHBondContact O-CG2 3.48Å; L209-I212 PolarHBondContact O-N 2.84Å; I212-I214 PolarHBondContact O-N 3.14Å; I212-A215 PolarHBondContact O-N 3.37Å; I212-V216 HydrophobicContact CD1-CG2 4.12Å; I212-V216 HydrophobicContact CG1-CG2 4.07Å; I212-V216 WeakPolarHBondContact O-CB 3.45Å; I212-V216 WeakPolarHBondContact O-CG2 3.43Å; I212-V216 PolarHBondContact O-N 2.94Å
213S98Very high96.3Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-59.7-43.2177-70.30000112.3S12 M15 L16 L209 P210 G211 F217S12-S213 WeakPolarHBondContact CB-OG 3.29Å; S12-S213 PolarHBondContact O-OG 3.44Å; M15-S213 VanDerWaalsContact CE-C 3.5Å; L16-S213 WeakPolarHBondContact CD1-OG 3.47Å; L16-S213 WeakPolarHBondContact CG-OG 3.31Å; L209-S213 VanDerWaalsContact O-CB 3.32Å; L209-S213 WeakPolarHBondContact O-CB 3.2Å; L209-S213 PolarHBondContact O-N 2.88Å; L209-S213 PolarHBondContact O-OG 3.48Å; P210-S213 PolarHBondContact O-N 3.22Å; G211-S213 VanDerWaalsContact C-N 3.33Å; S213-F217 WeakPolarHBondContact O-CB 3.3Å; S213-F217 PolarHBondContact O-N 3.21Å
214I97.8Very high96Very high1 Ų130.2 Ų30.21%0.00515%0.148CC..Hα-helixtrans-69.7-40.2178.4-173.8177.4000110.9M15 F85 N120 W199 P210 G211 I212 F217 S218M15-I214 HydrophobicContact CE-CB 4.01Å; F85-I214 HydrophobicContact CE2-CD1 4.12Å; N120-I214 WeakPolarHBondContact ND2-CD1 3.2Å; W199-I214 HydrophobicContact CD2-CD1 3.79Å; W199-I214 HydrophobicContact CD2-CG1 4.13Å; W199-I214 HydrophobicContact CE3-CD1 3.63Å; W199-I214 HydrophobicContact CE3-CG1 4.27Å; W199-I214 HydrophobicContact CE3-CG2 4.21Å; W199-I214 HydrophobicContact CG-CG1 4.5Å; W199-I214 HydrophobicContact CH2-CD1 3.69Å; W199-I214 HydrophobicContact CZ2-CD1 3.82Å; W199-I214 HydrophobicContact CZ3-CD1 3.6Å; P210-I214 PolarHBondContact O-N 3.22Å; P210-I214 VanDerWaalsContact O-N 3.14Å; G211-I214 WeakPolarHBondContact O-CG2 3.42Å; G211-I214 PolarHBondContact O-N 3.04Å; I212-I214 PolarHBondContact O-N 3.14Å; I214-F217 PolarHBondContact O-N 2.94Å; I214-S218 WeakPolarHBondContact O-CB 3.23Å; I214-S218 PolarHBondContact O-N 3.45Å; I214-S218 PolarHBondContact O-OG 2.87Å
215A98.2Very high95.7Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-61.6-47.1178.200000112.4W199 F200 A203 G211 I212 S218 L219W199-A215 HydrophobicContact CB-CB 4.08Å; F200-A215 HydrophobicContact CD1-CB 4.03Å; F200-A215 HydrophobicContact CD2-CB 4.43Å; F200-A215 HydrophobicContact CE1-CB 4.12Å; F200-A215 HydrophobicContact CE2-CB 4.5Å; F200-A215 HydrophobicContact CG-CB 4.18Å; F200-A215 HydrophobicContact CZ-CB 4.34Å; A203-A215 HydrophobicContact CB-CB 4.12Å; G211-A215 PolarHBondContact O-N 3.34Å; I212-A215 PolarHBondContact O-N 3.37Å; A215-S218 PolarHBondContact O-N 2.98Å; A215-L219 WeakPolarHBondContact O-CB 3.08Å; A215-L219 PolarHBondContact O-N 3.37Å
216V97.9Very high95.6Very high35 Ų3528.5 Ų28.521%0.21214%0.137CC..Hα-helixtrans-69-41178.21730000111.2L16 I212 S218 L219 C220L16-V216 HydrophobicContact CD2-CB 3.58Å; L16-V216 HydrophobicContact CD2-CG1 3.61Å; L16-V216 HydrophobicContact CD2-CG2 4.15Å; I212-V216 HydrophobicContact CD1-CG2 4.12Å; I212-V216 HydrophobicContact CG1-CG2 4.07Å; I212-V216 WeakPolarHBondContact O-CB 3.45Å; I212-V216 WeakPolarHBondContact O-CG2 3.43Å; I212-V216 PolarHBondContact O-N 2.94Å; V216-S218 VanDerWaalsContact C-N 3.35Å; V216-S218 PolarHBondContact O-N 3.21Å; V216-L219 WeakPolarHBondContact O-CB 3.42Å; V216-L219 PolarHBondContact O-N 3.25Å; V216-C220 PolarHBondContact O-N 2.86Å; V216-C220 PolarHBondContact O-SG 2.73Å
217F97.1Very high95.6Very high24 Ų2433.2 Ų33.211%0.10516%0.156CC..Hα-helixtrans-58.5-48.6174.6178.2-89.1000111.1M15 A18 F116 S213 I214 L219 C220 F221M15-F217 HydrophobicContact CG-CB 3.82Å; M15-F217 HydrophobicContact CG-CD2 3.86Å; M15-F217 HydrophobicContact CG-CG 3.9Å; M15-F217 WeakPolarHBondContact O-CD2 3.26Å; A18-F217 HydrophobicContact CB-CE2 4.32Å; F116-F217 HydrophobicContact CD1-CE1 4.24Å; F116-F217 HydrophobicContact CD2-CD1 4.42Å; F116-F217 AromaticContact CD2-CE1 3.77Å; F116-F217 HydrophobicContact CD2-CE1 3.77Å; F116-F217 HydrophobicContact CD2-CE2 4.12Å; F116-F217 AromaticContact CD2-CZ 3.59Å; F116-F217 HydrophobicContact CD2-CZ 3.59Å; F116-F217 HydrophobicContact CE1-CD1 4.13Å; F116-F217 AromaticContact CE1-CE1 3.75Å; F116-F217 HydrophobicContact CE1-CE1 3.75Å; F116-F217 AromaticContact CE2-CD1 3.43Å; F116-F217 HydrophobicContact CE2-CD1 3.43Å; F116-F217 VanDerWaalsContact CE2-CD1 3.43Å; F116-F217 HydrophobicContact CE2-CD2 4Å; F116-F217 AromaticContact CE2-CE1 3.2Å; F116-F217 HydrophobicContact CE2-CE1 3.2Å; F116-F217 AromaticContact CE2-CE2 3.79Å; F116-F217 HydrophobicContact CE2-CE2 3.79Å; F116-F217 AromaticContact CE2-CG 3.83Å; F116-F217 HydrophobicContact CE2-CG 3.83Å; F116-F217 AromaticContact CE2-CZ 3.39Å; F116-F217 HydrophobicContact CE2-CZ 3.39Å; F116-F217 HydrophobicContact CG-CE1 4.26Å; F116-F217 HydrophobicContact CG-CZ 4.25Å; F116-F217 AromaticContact CZ-CD1 3.26Å; F116-F217 HydrophobicContact CZ-CD1 3.26Å; F116-F217 AromaticContact CZ-CE1 3.2Å; F116-F217 HydrophobicContact CZ-CE1 3.2Å; F116-F217 HydrophobicContact CZ-CG 4.02Å; F116-F217 AromaticContact CZ-CZ 3.91Å; F116-F217 HydrophobicContact CZ-CZ 3.91Å; S213-F217 WeakPolarHBondContact O-CB 3.3Å; S213-F217 PolarHBondContact O-N 3.21Å; I214-F217 PolarHBondContact O-N 2.94Å; F217-L219 PolarHBondContact O-N 3.49Å; F217-C220 PolarHBondContact O-N 3.31Å; F217-F221 HydrophobicContact CE1-CB 4.43Å; F217-F221 HydrophobicContact CE1-CD2 4.42Å; F217-F221 HydrophobicContact CE1-CG 4.49Å; F217-F221 HydrophobicContact CZ-CD2 4.08Å; F217-F221 WeakPolarHBondContact O-CB 3.5Å; F217-F221 PolarHBondContact O-N 2.81Å
218S96.2Very high95.4Very high11 Ų1126.2 Ų26.28%0.07713%0.129CC..Hα-helixtrans-56.6-48.6175.8-68.50000110.8I214 A215 V216 C220 F221 I222I214-S218 WeakPolarHBondContact O-CB 3.23Å; I214-S218 PolarHBondContact O-N 3.45Å; I214-S218 PolarHBondContact O-OG 2.87Å; A215-S218 PolarHBondContact O-N 2.98Å; V216-S218 VanDerWaalsContact C-N 3.35Å; V216-S218 PolarHBondContact O-N 3.21Å; S218-C220 PolarHBondContact O-N 2.99Å; S218-F221 PolarHBondContact O-N 3.49Å; S218-F221 VanDerWaalsContact O-N 3.12Å; S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.42Å; S218-I222 PolarHBondContact O-N 3.48Å
219L96.5Very high95.4Very high69 Ų6926.7 Ų26.736%0.36113%0.13SC..Hα-helixtrans-54.5-48.6175.3177.163.2000112.6L196 F200 A215 V216 F217 F221 G223L196-L219 HydrophobicContact CD1-CD1 3.64Å; L196-L219 VanDerWaalsContact CD2-CA 3.42Å; L196-L219 HydrophobicContact CD2-CB 3.94Å; L196-L219 HydrophobicContact CD2-CD1 4.35Å; F200-L219 HydrophobicContact CE2-CB 4.42Å; F200-L219 HydrophobicContact CE2-CD2 4.45Å; F200-L219 HydrophobicContact CZ-CD2 4.18Å; A215-L219 WeakPolarHBondContact O-CB 3.08Å; A215-L219 PolarHBondContact O-N 3.37Å; V216-L219 WeakPolarHBondContact O-CB 3.42Å; V216-L219 PolarHBondContact O-N 3.25Å; F217-L219 PolarHBondContact O-N 3.49Å; L219-F221 VanDerWaalsContact C-N 3.26Å; L219-F221 PolarHBondContact O-N 2.9Å; L219-G223 VanDerWaalsContact O-CA 3.24Å; L219-G223 WeakPolarHBondContact O-CA 3.49Å; L219-G223 PolarHBondContact O-N 2.92Å
220C94.8Very high95.3Very high7 Ų724.3 Ų24.35%0.04712%0.117CC..Hα-helixtrans-66.4-28.3-179.8-69.20000113.2G19 L23 V216 F217 S218 P224G19-C220 WeakPolarHBondContact O-CB 3.5Å; L23-C220 HydrophobicContact CB-CB 4.12Å; V216-C220 PolarHBondContact O-N 2.86Å; V216-C220 PolarHBondContact O-SG 2.73Å; F217-C220 PolarHBondContact O-N 3.31Å; S218-C220 PolarHBondContact O-N 2.99Å; C220-P224 WeakPolarHBondContact O-CD 3.23Å; C220-P224 WeakPolarHBondContact O-CG 2.95Å
221F91.2Very high95.2Very high57 Ų5728.6 Ų28.625%0.2514%0.136CC..Hα-helixtrans-88.9-49.2-177.3-151.4-93.5000112.6H22 F217 S218 L219H22-F221 HydrophobicContact CB-CD2 4.41Å; H22-F221 AromaticContact CD2-CD2 3.35Å; H22-F221 WeakPolarHBondContact CD2-CD2 3.46Å; H22-F221 AromaticContact CD2-CE2 3.78Å; H22-F221 AromaticContact CE1-CD2 3.74Å; H22-F221 AromaticContact CE1-CE2 3.31Å; H22-F221 WeakPolarHBondContact CE1-CE2 3.26Å; H22-F221 AromaticContact CE1-CZ 3.89Å; H22-F221 AromaticContact CG-CD2 3.62Å; H22-F221 AromaticContact CG-CE2 3.78Å; H22-F221 AromaticContact ND1-CD2 3.86Å; H22-F221 AromaticContact ND1-CE2 3.51Å; H22-F221 AromaticContact NE2-CD2 3.45Å; H22-F221 WeakPolarHBondContact NE2-CD2 3.17Å; H22-F221 AromaticContact NE2-CE2 3.48Å; H22-F221 WeakPolarHBondContact NE2-CE2 3.32Å; F217-F221 HydrophobicContact CE1-CB 4.43Å; F217-F221 HydrophobicContact CE1-CD2 4.42Å; F217-F221 HydrophobicContact CE1-CG 4.49Å; F217-F221 HydrophobicContact CZ-CD2 4.08Å; F217-F221 WeakPolarHBondContact O-CB 3.5Å; F217-F221 PolarHBondContact O-N 2.81Å; S218-F221 PolarHBondContact O-N 3.49Å; S218-F221 VanDerWaalsContact O-N 3.12Å; L219-F221 VanDerWaalsContact C-N 3.26Å; L219-F221 PolarHBondContact O-N 2.9Å
222I93.2Very high95Very high13 Ų1330.1 Ų30.17%0.06714%0.142CC..Hα-helixtrans-90.6-21.9-176.377.4-166.1000112.9Y192 E195 L196 S218 R225 A226Y192-I222 HydrophobicContact CD1-CB 4.03Å; Y192-I222 HydrophobicContact CD1-CD1 4.41Å; Y192-I222 HydrophobicContact CD1-CG2 4.33Å; Y192-I222 HydrophobicContact CG-CB 4.03Å; Y192-I222 HydrophobicContact CG-CG1 4.37Å; E195-I222 HydrophobicContact CB-CD1 3.98Å; E195-I222 HydrophobicContact CG-CD1 4.27Å; L196-I222 HydrophobicContact CD2-CD1 3.61Å; L196-I222 HydrophobicContact CD2-CG1 3.81Å; L196-I222 HydrophobicContact CG-CD1 3.84Å; L196-I222 HydrophobicContact CG-CG1 4.1Å; S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.42Å; S218-I222 PolarHBondContact O-N 3.48Å; I222-R225 WeakPolarHBondContact O-CB 3.44Å; I222-R225 PolarHBondContact O-N 3.02Å; I222-A226 PolarHBondContact O-N 3.5Å
223G92.9Very high94.9Very high5 Ų527.2 Ų27.25%0.05213%0.127CC..Hα-helixtrans-60.2-58.4178.200000113.5L219 R225 A226 Y227L219-G223 VanDerWaalsContact O-CA 3.24Å; L219-G223 WeakPolarHBondContact O-CA 3.49Å; L219-G223 PolarHBondContact O-N 2.92Å; G223-R225 PolarHBondContact O-N 3.03Å; G223-A226 WeakPolarHBondContact O-CB 3.35Å; G223-A226 PolarHBondContact O-N 3.33Å; G223-Y227 PolarHBondContact O-N 3.48Å
224P92.4Very high94.8Very high20 Ų2032.6 Ų32.613%0.1315%0.151CC..Hα-helixtrans-58.4-35.5174.6-26.136.8000112.2L23 H26 C220 A226 Y227 Y228L23-P224 HydrophobicContact CD1-CG 3.29Å; H26-P224 HydrophobicContact CB-CB 4.42Å; C220-P224 WeakPolarHBondContact O-CD 3.23Å; C220-P224 WeakPolarHBondContact O-CG 2.95Å; P224-A226 PolarHBondContact O-N 3.38Å; P224-Y227 WeakPolarHBondContact O-CB 3.42Å; P224-Y227 PolarHBondContact O-N 3.47Å; P224-Y228 HydrophobicContact CB-CE2 4.4Å; P224-Y228 WeakPolarHBondContact O-CD2 3.43Å; P224-Y228 PolarHBondContact O-N 3.23Å
225R91.3Very high94.6Very high22 Ų2239 Ų398%0.08318%0.181CC..Hα-helixtrans-64-40.8178.4-166.8176.8-172.1174.818.4112.6Y33 Y192 I222 G223 Y227 Y228 H229Y33-R225 VanDerWaalsContact CE2-CZ 3.45Å; Y33-R225 PolarHBondContact OH-NH1 2.83Å; Y192-R225 HydrophobicContact CE2-CB 4.35Å; Y192-R225 HydrophobicContact CE2-CG 4.04Å; Y192-R225 WeakPolarHBondContact OH-CD 3.29Å; Y192-R225 PolarHBondContact OH-NE 3.37Å; Y192-R225 PolarHBondContact OH-NH1 3.23Å; I222-R225 WeakPolarHBondContact O-CB 3.44Å; I222-R225 PolarHBondContact O-N 3.02Å; G223-R225 PolarHBondContact O-N 3.03Å; R225-Y227 VanDerWaalsContact C-N 3.3Å; R225-Y227 PolarHBondContact O-N 2.83Å; R225-Y228 PolarHBondContact O-N 2.84Å; R225-H229 PolarHBondContact NE-NE2 2.94Å; R225-H229 PolarHBondContact O-CD2 3.42Å; R225-H229 VanDerWaalsContact O-CD2 3.24Å; R225-H229 PolarHBondContact O-N 3.01Å
226A94.3Very high94.4Very high0 Ų044.9 Ų44.90%021%0.208CC..Hα-helixtrans-59.5-41.8174.200000111.6Y192 I222 G223 P224 Y228 H229 H230 L247Y192-A226 HydrophobicContact CD2-CB 3.95Å; I222-A226 PolarHBondContact O-N 3.5Å; G223-A226 WeakPolarHBondContact O-CB 3.35Å; G223-A226 PolarHBondContact O-N 3.33Å; P224-A226 PolarHBondContact O-N 3.38Å; A226-Y228 PolarHBondContact O-N 2.86Å; A226-H229 WeakPolarHBondContact O-CB 3.3Å; A226-H229 PolarHBondContact O-N 3.31Å; A226-H230 WeakPolarHBondContact O-CB 3.34Å; A226-H230 PolarHBondContact O-N 2.94Å; A226-L247 HydrophobicContact CB-CB 3.84Å; A226-L247 HydrophobicContact CB-CD1 3.78Å; A226-L247 HydrophobicContact CB-CD2 4.27Å; A226-L247 HydrophobicContact CB-CG 4.19Å
227Y94.3Very high94.3Very high101 Ų10145 Ų4540%0.39621%0.206SC..Hα-helixtrans-59.3-46.1173.8170.2-98.8000112.4G223 P224 R225 H229 H230 K231 F252G223-Y227 PolarHBondContact O-N 3.48Å; P224-Y227 WeakPolarHBondContact O-CB 3.42Å; P224-Y227 PolarHBondContact O-N 3.47Å; R225-Y227 VanDerWaalsContact C-N 3.3Å; R225-Y227 PolarHBondContact O-N 2.83Å; Y227-H229 PolarHBondContact O-N 3.36Å; Y227-H230 WeakPolarHBondContact O-CB 3.34Å; Y227-H230 PolarHBondContact O-N 2.8Å; Y227-K231 PolarHBondContact O-N 2.89Å; Y227-F252 HydrophobicContact CD2-CE2 4.16Å; Y227-F252 HydrophobicContact CD2-CZ 4.1Å; Y227-F252 HydrophobicContact CG-CZ 4.33Å
228Y92.5Very high94.2Very high42 Ų4253.8 Ų53.817%0.16524%0.244CC..Hα-helixtrans-71.2-30.5178.2-68.2-64.3000113.3H26 Q30 P224 R225 A226 H230 F232H26-Y228 AromaticContact CE1-CD2 3.36Å; H26-Y228 WeakPolarHBondContact CE1-CD2 3.41Å; H26-Y228 AromaticContact CE1-CE2 3.3Å; H26-Y228 WeakPolarHBondContact CE1-CE2 3.24Å; H26-Y228 AromaticContact ND1-CD2 3.87Å; H26-Y228 AromaticContact ND1-CE2 3.28Å; H26-Y228 VanDerWaalsContact ND1-CE2 3.28Å; H26-Y228 WeakPolarHBondContact ND1-CE2 3.24Å; H26-Y228 PolarHBondContact O-OH 3.21Å; Q30-Y228 HydrophobicContact CG-CD2 4.25Å; Q30-Y228 HydrophobicContact CG-CE2 4.24Å; Q30-Y228 HydrophobicContact CG-CG 4.45Å; Q30-Y228 VanDerWaalsContact NE2-CE1 3.34Å; P224-Y228 HydrophobicContact CB-CE2 4.4Å; P224-Y228 WeakPolarHBondContact O-CD2 3.43Å; P224-Y228 PolarHBondContact O-N 3.23Å; R225-Y228 PolarHBondContact O-N 2.84Å; A226-Y228 PolarHBondContact O-N 2.86Å; Y228-H230 VanDerWaalsContact C-N 3.33Å; Y228-F232 VanDerWaalsContact O-CB 3.3Å; Y228-F232 WeakPolarHBondContact O-CB 3.38Å; Y228-F232 PolarHBondContact O-N 3.44Å
229H93.8Very high94.1Very high21 Ų2160.7 Ų60.710%0.09728%0.275CS..Hα-helixtrans-62.3-44169.5-78.4-159.2000111R35 H36 Y192 R225 A226 Y227 F232 Y233R35-H229 PolarHBondContact NH1-O 2.95Å; H36-H229 AromaticContact NE2-CD2 3.36Å; H36-H229 PolarHBondContact NE2-CD2 3.19Å; H36-H229 AromaticContact NE2-NE2 3.96Å; Y192-H229 AromaticContact CE2-CE1 3.58Å; Y192-H229 AromaticContact CE2-ND1 3.6Å; Y192-H229 AromaticContact CZ-CE1 3.81Å; Y192-H229 PolarHBondContact OH-CE1 3.31Å; R225-H229 PolarHBondContact NE-NE2 2.94Å; R225-H229 PolarHBondContact O-CD2 3.42Å; R225-H229 VanDerWaalsContact O-CD2 3.24Å; R225-H229 PolarHBondContact O-N 3.01Å; A226-H229 WeakPolarHBondContact O-CB 3.3Å; A226-H229 PolarHBondContact O-N 3.31Å; Y227-H229 PolarHBondContact O-N 3.36Å; H229-F232 PolarHBondContact O-N 2.88Å; H229-Y233 WeakPolarHBondContact O-CD2 3.4Å; H229-Y233 PolarHBondContact O-N 3.44Å
230H96.1Very high94.2Very high15 Ų1558 Ų587%0.06926%0.26CS..Hα-helixtrans-62.4-47.7176.5-17670000111.9S188 A226 Y227 Y228 F232 Y233 K234 Y240 R244 A246S188-H230 WeakPolarHBondContact OG-CB 3.31Å; S188-H230 PolarHBondContact OG-ND1 3.33Å; A226-H230 WeakPolarHBondContact O-CB 3.34Å; A226-H230 PolarHBondContact O-N 2.94Å; Y227-H230 WeakPolarHBondContact O-CB 3.34Å; Y227-H230 PolarHBondContact O-N 2.8Å; Y228-H230 VanDerWaalsContact C-N 3.33Å; H230-F232 PolarHBondContact O-N 2.66Å; H230-Y233 PolarHBondContact O-N 3.06Å; H230-K234 WeakPolarHBondContact NE2-CE 3.11Å; H230-K234 PolarHBondContact NE2-NZ 2.95Å; H230-K234 PolarHBondContact O-N 3.25Å; H230-Y240 AromaticContact ND1-CE1 3.98Å; H230-R244 PolarHBondContact CE1-O 3.32Å; H230-A246 HydrophobicContact CB-CB 3.7Å
231K94.5Very high94.2Very high91 Ų9160 Ų6040%0.39627%0.272SS..Hα-helixtrans-58.1-49175.5-177.4173.9175.6176.30111.6Y227 Y233 K234 E235Y227-K231 PolarHBondContact O-N 2.89Å; K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.89Å; K231-K234 PolarHBondContact O-N 3.38Å; K231-E235 WeakPolarHBondContact CE-OE1 3.38Å; K231-E235 HydrophobicContact CG-CG 4.49Å; K231-E235 IonicContact NZ-OE1 3.77Å; K231-E235 WeakPolarHBondContact O-CG 3.33Å; K231-E235 PolarHBondContact O-N 2.83Å
232F94.3Very high94.2Very high31 Ų3167.8 Ų67.814%0.13630%0.3CS..Hα-helixtrans-54.8-47.6175.8171.3-93.2000111.6Y176 Y228 H229 H230 K234 E235 H236 F237Y176-F232 HydrophobicContact CD2-CZ 4.1Å; Y176-F232 HydrophobicContact CG-CE1 4.18Å; Y176-F232 HydrophobicContact CG-CZ 4.2Å; Y228-F232 VanDerWaalsContact O-CB 3.3Å; Y228-F232 WeakPolarHBondContact O-CB 3.38Å; Y228-F232 PolarHBondContact O-N 3.44Å; H229-F232 PolarHBondContact O-N 2.88Å; H230-F232 PolarHBondContact O-N 2.66Å; F232-K234 PolarHBondContact O-N 3.31Å; F232-E235 PolarHBondContact O-N 3.47Å; F232-H236 HydrophobicContact CE1-CB 4.32Å; F232-H236 HydrophobicContact CE2-CB 4.3Å; F232-H236 AromaticContact CE2-CG 3.99Å; F232-H236 AromaticContact CE2-ND1 3.88Å; F232-H236 HydrophobicContact CZ-CB 4.13Å; F232-H236 AromaticContact CZ-CD2 3.95Å; F232-H236 AromaticContact CZ-CG 3.85Å; F232-H236 WeakPolarHBondContact O-CB 3.4Å; F232-H236 PolarHBondContact O-N 3.44Å; F232-F237 HydrophobicContact CE1-CE2 4.19Å
233Y95.8Very high94.2Very high6 Ų676.4 Ų76.42%0.02434%0.338CS..Hα-helixtrans-62.9-41.1-179.3-76.1-56.1000112.9R35 P179 H229 H230 K231 E235 H236 F237 Y240R35-Y233 PolarHBondContact NH2-OH 3.46Å; P179-Y233 WeakPolarHBondContact CD-OH 3.47Å; P179-Y233 HydrophobicContact CG-CE2 4.4Å; H229-Y233 WeakPolarHBondContact O-CD2 3.4Å; H229-Y233 PolarHBondContact O-N 3.44Å; H230-Y233 PolarHBondContact O-N 3.06Å; K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.89Å; Y233-E235 VanDerWaalsContact C-N 3.33Å; Y233-E235 PolarHBondContact O-N 3.33Å; Y233-H236 PolarHBondContact O-N 2.94Å; Y233-F237 AromaticContact CD1-CD2 3.76Å; Y233-F237 HydrophobicContact CD1-CD2 3.76Å; Y233-F237 AromaticContact CD1-CE2 3.66Å; Y233-F237 HydrophobicContact CD1-CE2 3.66Å; Y233-F237 HydrophobicContact CE1-CE2 4.11Å; Y233-F237 PolarHBondContact O-N 2.03Å; Y233-Y240 VanDerWaalsContact CB-CE2 3.43Å; Y233-Y240 HydrophobicContact CD1-CD2 4.49Å; Y233-Y240 HydrophobicContact CD1-CE2 4.23Å; Y233-Y240 HydrophobicContact CD2-CE2 4.05Å; Y233-Y240 HydrophobicContact CG-CD2 4.17Å; Y233-Y240 AromaticContact CG-CE2 3.69Å; Y233-Y240 HydrophobicContact CG-CE2 3.69Å
234K95.5Very high94.4Very high113 Ų11376.5 Ų76.549%0.49134%0.337SS..Hα-helixtrans-63.2-37.4176.6-79.3-179.7159.4169.20113.1H230 K231 F232 Y240H230-K234 WeakPolarHBondContact NE2-CE 3.11Å; H230-K234 PolarHBondContact NE2-NZ 2.95Å; H230-K234 PolarHBondContact O-N 3.25Å; K231-K234 PolarHBondContact O-N 3.38Å; F232-K234 PolarHBondContact O-N 3.31Å; K234-Y240 HydrophobicContact CG-CD1 3.85Å; K234-Y240 HydrophobicContact CG-CE1 4.29Å
235E94.8Very high94.7Very high136 Ų13679.2 Ų79.264%0.63635%0.346SS*.Hα-helixtrans-79.1-33.2-179.3-69.8172.3168.100112.3K231 F232 Y233K231-E235 WeakPolarHBondContact CE-OE1 3.38Å; K231-E235 HydrophobicContact CG-CG 4.49Å; K231-E235 IonicContact NZ-OE1 3.77Å; K231-E235 WeakPolarHBondContact O-CG 3.33Å; K231-E235 PolarHBondContact O-N 2.83Å; F232-E235 PolarHBondContact O-N 3.47Å; Y233-E235 VanDerWaalsContact C-N 3.33Å; Y233-E235 PolarHBondContact O-N 3.33Å
236H94.1Very high94.9Very high124 Ų12478.1 Ų78.157%0.57434%0.342SS*.Hα-helixtrans-94-26.2-170.8-138.976.5000114F232 Y233F232-H236 HydrophobicContact CE1-CB 4.32Å; F232-H236 HydrophobicContact CE2-CB 4.3Å; F232-H236 AromaticContact CE2-CG 3.99Å; F232-H236 AromaticContact CE2-ND1 3.88Å; F232-H236 HydrophobicContact CZ-CB 4.13Å; F232-H236 AromaticContact CZ-CD2 3.95Å; F232-H236 AromaticContact CZ-CG 3.85Å; F232-H236 WeakPolarHBondContact O-CB 3.4Å; F232-H236 PolarHBondContact O-N 3.44Å; Y233-H236 PolarHBondContact O-N 2.94Å
237F95.6Very high95.1Very high38 Ų3878.3 Ų78.317%0.16734%0.343CS..  trans-122.4115.4-176.4-60-82.6000111.4Y176 I178 F232 Y233 E239 Y240Y176-F237 VanDerWaalsContact O-CZ 3.3Å; Y176-F237 WeakPolarHBondContact O-CZ 3.31Å; I178-F237 HydrophobicContact CD1-CB 3.65Å; I178-F237 HydrophobicContact CD1-CD1 4.06Å; I178-F237 HydrophobicContact CD1-CG 3.87Å; I178-F237 HydrophobicContact CG1-CB 3.96Å; I178-F237 HydrophobicContact CG1-CD1 3.8Å; I178-F237 HydrophobicContact CG1-CD2 4Å; I178-F237 HydrophobicContact CG1-CE1 4.31Å; I178-F237 HydrophobicContact CG1-CG 3.63Å; F232-F237 HydrophobicContact CE1-CE2 4.19Å; Y233-F237 AromaticContact CD1-CD2 3.76Å; Y233-F237 HydrophobicContact CD1-CD2 3.76Å; Y233-F237 AromaticContact CD1-CE2 3.66Å; Y233-F237 HydrophobicContact CD1-CE2 3.66Å; Y233-F237 HydrophobicContact CE1-CE2 4.11Å; Y233-F237 PolarHBondContact O-N 2.03Å; F237-E239 VanDerWaalsContact C-N 3.28Å; F237-E239 PolarHBondContact O-N 3.34Å; F237-Y240 VanDerWaalsContact O-CB 3.31Å; F237-Y240 WeakPolarHBondContact O-CB 3.25Å; F237-Y240 PolarHBondContact O-N 3.48Å
238K94.2Very high95.1Very high207 Ų20776.7 Ų76.790%0.934%0.34SS*.THydrogen-bonded Turntrans-63.9-34.5176.2-67.4-175.1-179.2179.50112.1Y240K238-Y240 PolarHBondContact O-N 2.96Å
239E95.1Very high95.3Very high157 Ų15776 Ų7673%0.73434%0.341SS*.THydrogen-bonded Turntrans-81.99.4177.5-50.493.5-15500113.9F237F237-E239 VanDerWaalsContact C-N 3.28Å; F237-E239 PolarHBondContact O-N 3.34Å
240Y96.9Very high95.4Very high13 Ų1382.4 Ų82.45%0.05137%0.369CS..  trans-63.9129-177-166.2-109.3000112.5I178 S188 H230 Y233 K234 F237 K238 R242 R244I178-Y240 HydrophobicContact CD1-CD2 4.27Å; I178-Y240 HydrophobicContact CG1-CD2 4.22Å; I178-Y240 HydrophobicContact CG2-CD2 3.84Å; I178-Y240 HydrophobicContact CG2-CE2 3.93Å; S188-Y240 WeakPolarHBondContact CB-OH 3.34Å; S188-Y240 PolarHBondContact OG-OH 2.87Å; H230-Y240 AromaticContact ND1-CE1 3.98Å; Y233-Y240 VanDerWaalsContact CB-CE2 3.43Å; Y233-Y240 HydrophobicContact CD1-CD2 4.49Å; Y233-Y240 HydrophobicContact CD1-CE2 4.23Å; Y233-Y240 HydrophobicContact CD2-CE2 4.05Å; Y233-Y240 HydrophobicContact CG-CD2 4.17Å; Y233-Y240 AromaticContact CG-CE2 3.69Å; Y233-Y240 HydrophobicContact CG-CE2 3.69Å; K234-Y240 HydrophobicContact CG-CD1 3.85Å; K234-Y240 HydrophobicContact CG-CE1 4.29Å; F237-Y240 VanDerWaalsContact O-CB 3.31Å; F237-Y240 WeakPolarHBondContact O-CB 3.25Å; F237-Y240 PolarHBondContact O-N 3.48Å; K238-Y240 PolarHBondContact O-N 2.96Å; Y240-R242 PolarHBondContact O-N 3.41Å; Y240-R242 VanDerWaalsContact O-N 3.14Å; Y240-R244 HydrophobicContact CE1-CB 4.33Å
241P94.9Very high95.4Very high47 Ų4788 Ų8831%0.30540%0.398SS..  trans-61.3118.6-177.8-27.137.1000112.7F243 R244P241-F243 VanDerWaalsContact C-N 3.3Å; P241-F243 PolarHBondContact O-N 2.85Å; P241-R244 HydrophobicContact CB-CG 4.03Å; P241-R244 PolarHBondContact O-N 3.35Å
242R92.3Very high95.2Very high222 Ų22288.3 Ų88.384%0.83840%0.399SS*.THydrogen-bonded Turntrans-68.1-26.7-173.6-64.5-175.2-179.2-178.80.8114Y240 R244Y240-R242 PolarHBondContact O-N 3.41Å; Y240-R242 VanDerWaalsContact O-N 3.14Å; R242-R244 VanDerWaalsContact C-N 3.33Å
243F93.3Very high95.3Very high193 Ų19391.2 Ų91.285%0.84641%0.413SS*.THydrogen-bonded Turntrans-78.8-16.3-177.8-59.6-74000113.5P241P241-F243 VanDerWaalsContact C-N 3.3Å; P241-F243 PolarHBondContact O-N 2.85Å
244R96.9Very high95.3Very high8 Ų895.6 Ų95.63%0.0343%0.433CS..  trans-62.5142.7177.4-74.1176.2-173.1-167.2-2.3110.4P179 F184 E185 Y186 H230 Y240 P241 R242P179-R244 PolarHBondContact O-NH1 3.45Å; P179-R244 PolarHBondContact O-NH2 3.41Å; F184-R244 WeakPolarHBondContact O-CD 3.47Å; F184-R244 PolarHBondContact O-NE 2.92Å; F184-R244 PolarHBondContact O-NH1 3.35Å; F184-R244 PolarHBondContact O-NH2 3.24Å; E185-R244 WeakPolarHBondContact O-CG 3.32Å; E185-R244 IonicContact OE1-NH2 3.45Å; E185-R244 PolarHBondContact OE1-NH2 3.47Å; E185-R244 IonicContact OE2-CZ 3.88Å; E185-R244 IonicContact OE2-NH2 2.91Å; E185-R244 PolarHBondContact OE2-NH2 2.97Å; Y186-R244 CarbonylContact O-C 3.38Å; Y186-R244 WeakPolarHBondContact O-CA 3.38Å; H230-R244 PolarHBondContact CE1-O 3.32Å; Y240-R244 HydrophobicContact CE1-CB 4.33Å; P241-R244 HydrophobicContact CB-CG 4.03Å; P241-R244 PolarHBondContact O-N 3.35Å; R242-R244 VanDerWaalsContact C-N 3.33Å
245K97.7Very high95.3Very high76 Ų7694.7 Ų94.733%0.3343%0.43SS..BIsolated β-bridgetrans-99.2171.8172-61.4-56.4-174.9175.30110.1Y186 V187 S188Y186-K245 PolarHBondContact O-N 3.35Å; V187-K245 CarbonylContact C-O 3.24Å; V187-K245 VanDerWaalsContact CA-O 3.22Å; V187-K245 WeakPolarHBondContact CA-O 3.45Å; V187-K245 HydrophobicContact CG1-CB 4.21Å; S188-K245 PolarHBondContact N-O 3.1Å; S188-K245 PolarHBondContact OG-O 3.16Å
246A96.8Very high95.3Very high0 Ų092.2 Ų92.20%042%0.418CS..SBendtrans-74.2-45.4-178.500000112.2S188 G189 H230 F252S188-A246 PolarHBondContact N-O 3.3Å; G189-A246 PolarHBondContact N-O 3.46Å; H230-A246 HydrophobicContact CB-CB 3.7Å; A246-F252 WeakPolarHBondContact CB-OXT 3.2Å; A246-F252 VanDerWaalsContact N-C 3.31Å; A246-F252 PolarHBondContact N-O 3.29Å; A246-F252 VanDerWaalsContact N-O 3.17Å; A246-F252 PolarHBondContact N-OXT 3.49Å
247L97.1Very high95.4Very high3 Ų390.3 Ų90.32%0.01641%0.408CS..SBendtrans-147.7-50.1-165.5-175.663.1000114.2V187 F193 L196 A226 F252V187-L247 WeakPolarHBondContact CG1-O 3.08Å; F193-L247 HydrophobicContact CB-CD1 4.07Å; F193-L247 WeakPolarHBondContact CB-O 3.4Å; F193-L247 WeakPolarHBondContact CD2-O 3.45Å; F193-L247 WeakPolarHBondContact CG-O 3.48Å; L196-L247 HydrophobicContact CD1-CD1 4.22Å; L196-L247 HydrophobicContact CD1-CD2 3.7Å; L196-L247 HydrophobicContact CD1-CG 4.21Å; A226-L247 HydrophobicContact CB-CB 3.84Å; A226-L247 HydrophobicContact CB-CD1 3.78Å; A226-L247 HydrophobicContact CB-CD2 4.27Å; A226-L247 HydrophobicContact CB-CG 4.19Å; L247-F252 CarbonylContact C-O 3.43Å; L247-F252 WeakPolarHBondContact CA-O 3.32Å; L247-F252 HydrophobicContact CB-CD1 4.17Å; L247-F252 PolarHBondContact N-O 2.97Å
248I96.2Very high95.3Very high67 Ų6793.7 Ų93.734%0.34442%0.424SS..SBendtrans-99.6117.7-178-54.6177.9000108.1F250 I251 F252I248-F250 PolarHBondContact O-N 2.92Å; I248-I251 HydrophobicContact CB-CB 4.14Å; I248-I251 HydrophobicContact CG2-CB 3.85Å; I248-I251 HydrophobicContact CG2-CD1 3.81Å; I248-I251 HydrophobicContact CG2-CG1 4.21Å; I248-I251 PolarHBondContact O-N 3.39Å; I248-I251 VanDerWaalsContact O-N 3.09Å; I248-F252 HydrophobicContact CB-CB 4.33Å; I248-F252 HydrophobicContact CG1-CB 4.49Å; I248-F252 PolarHBondContact N-O 2.82Å; I248-F252 PolarHBondContact O-N 2.88Å
249P95.5Very high95.4Very high27 Ų2785.6 Ų85.618%0.17539%0.39CS..THydrogen-bonded Turntrans-50.4132.4-178.7-28.235.4000112V187 F193 I251V187-P249 HydrophobicContact CG1-CB 4.28Å; V187-P249 HydrophobicContact CG1-CG 3.86Å; F193-P249 HydrophobicContact CZ-CG 4.37Å; P249-I251 PolarHBondContact O-N 3.17Å
250F95Very high95.4Very high157 Ų15780.2 Ų80.269%0.68936%0.364SS*.THydrogen-bonded Turntrans64.1-10.6179.7-42.6-72.5000116.6Y186 I248Y186-F250 AromaticContact CD1-CE1 3.72Å; Y186-F250 HydrophobicContact CD1-CE1 3.72Å; Y186-F250 HydrophobicContact CD1-CE2 4.27Å; Y186-F250 AromaticContact CD1-CZ 3.39Å; Y186-F250 HydrophobicContact CD1-CZ 3.39Å; Y186-F250 HydrophobicContact CE1-CE1 4.08Å; Y186-F250 AromaticContact CE1-CZ 3.59Å; Y186-F250 HydrophobicContact CE1-CZ 3.59Å; Y186-F250 HydrophobicContact CG-CZ 4.36Å; I248-F250 PolarHBondContact O-N 2.92Å
251I96.1Very high95.3Very high131 Ų13185.8 Ų85.867%0.67239%0.39SS*.THydrogen-bonded Turntrans-107.9-68.5-174.9-60.7171.9000111.3I248 P249I248-I251 HydrophobicContact CB-CB 4.14Å; I248-I251 HydrophobicContact CG2-CB 3.85Å; I248-I251 HydrophobicContact CG2-CD1 3.81Å; I248-I251 HydrophobicContact CG2-CG1 4.21Å; I248-I251 PolarHBondContact O-N 3.39Å; I248-I251 VanDerWaalsContact O-N 3.09Å; P249-I251 PolarHBondContact O-N 3.17Å
252F92.2Very high95.4Very high98 Ų9889.3 Ų89.343%0.4340%0.397SS..  trans-130.20-168.3175.4-115.9000112.4Y227 A246 L247 I248Y227-F252 HydrophobicContact CD2-CE2 4.16Å; Y227-F252 HydrophobicContact CD2-CZ 4.1Å; Y227-F252 HydrophobicContact CG-CZ 4.33Å; A246-F252 WeakPolarHBondContact CB-OXT 3.2Å; A246-F252 VanDerWaalsContact N-C 3.31Å; A246-F252 PolarHBondContact N-O 3.29Å; A246-F252 VanDerWaalsContact N-O 3.17Å; A246-F252 PolarHBondContact N-OXT 3.49Å; L247-F252 CarbonylContact C-O 3.43Å; L247-F252 WeakPolarHBondContact CA-O 3.32Å; L247-F252 HydrophobicContact CB-CD1 4.17Å; L247-F252 PolarHBondContact N-O 2.97Å; I248-F252 HydrophobicContact CB-CB 4.33Å; I248-F252 HydrophobicContact CG1-CB 4.49Å; I248-F252 PolarHBondContact N-O 2.82Å; I248-F252 PolarHBondContact O-N 2.88Å

Retrieved 252 of 252 residues in 120.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).