A0A5K4EPI8_SCHMA Loading...

Feline leukemia virus subgroup C receptor-related

AlphaFold DB , UniProt , Accession A0A5K4EPI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 601 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32Very low44.8Very low212 Ų212126.5 Ų126.5100%1.04467%0.672SS**  057.40-64.4-174.7177.200110.7K3M1-K3 PolarHBondContact O-N 3.07Å
2Q26.9Very low47.8Very low205 Ų205122.8 Ų122.896%0.95865%0.652SS**  trans-84.37.6-150.7-96.3152.6-50.700119.1
3K32.8Very low50.7Low158 Ų158117.9 Ų117.969%0.68763%0.625SS**  trans-126.638.5-171.8-139.6162.9-169.1168.20114.5M1 D361M1-K3 PolarHBondContact O-N 3.07Å; K3-D361 WeakPolarHBondContact CE-OD2 3.48Å; K3-D361 VanDerWaalsContact NZ-CG 3.27Å; K3-D361 IonicContact NZ-OD1 3.26Å; K3-D361 PolarHBondContact NZ-OD1 3.25Å; K3-D361 VanDerWaalsContact NZ-OD1 3.08Å; K3-D361 IonicContact NZ-OD2 3.22Å; K3-D361 PolarHBondContact NZ-OD2 2.81Å
4K28.7Very low53.2Low182 Ų182115.2 Ų115.279%0.79160%0.603SS**SBendtrans-99.3-15.1-169.6-126.4-174.9-177.1-1750116.8
5E32.3Very low55.6Low184 Ų184120.3 Ų120.386%0.8662%0.618SS**  trans-131.69.9-167.1-63.7-172.4136.700115.4D7E5-D7 PolarHBondContact O-N 3.47Å
6A34.5Very low57.7Low71 Ų71117.7 Ų117.759%0.58760%0.598SS**SBendtrans-63.9120.4178.300000112.3G8A6-G8 VanDerWaalsContact C-N 3.29Å; A6-G8 PolarHBondContact O-N 3.11Å; A6-G8 VanDerWaalsContact O-N 3.13Å
7D46.2Very low59.7Low89 Ų89112.2 Ų112.248%0.47657%0.568SS.*SBendtrans66.3-2.5170-46-46.6000118.8E5 F9 K263E5-D7 PolarHBondContact O-N 3.47Å; D7-F9 PolarHBondContact O-N 3.1Å; D7-K263 WeakPolarHBondContact OD2-CE 3.38Å; D7-K263 IonicContact OD2-NZ 3.5Å; D7-K263 PolarHBondContact OD2-NZ 2.86Å
8G53.2Low61.6Low70 Ų70111.9 Ų111.972%0.72256%0.559SS**  trans60.56.9177.900000115.9A6 T10A6-G8 VanDerWaalsContact C-N 3.29Å; A6-G8 PolarHBondContact O-N 3.11Å; A6-G8 VanDerWaalsContact O-N 3.13Å; G8-T10 PolarHBondContact O-N 3.02Å
9F64.4Low63.2Low44 Ų44110.9 Ų110.919%0.19355%0.551CS.*  trans-82.1100.5-167.5-179.8-102.9000112.1D7 V11 E256 L259 Y262D7-F9 PolarHBondContact O-N 3.1Å; F9-V11 HydrophobicContact CD1-CG2 4.13Å; F9-V11 HydrophobicContact CE1-CG2 3.75Å; F9-E256 HydrophobicContact CZ-CB 4.36Å; F9-L259 HydrophobicContact CB-CD1 4.08Å; F9-L259 HydrophobicContact CD1-CB 4.29Å; F9-L259 HydrophobicContact CD1-CD1 3.7Å; F9-L259 HydrophobicContact CG-CD1 4.18Å; F9-Y262 HydrophobicContact CB-CD1 4.23Å; F9-Y262 HydrophobicContact CB-CE1 4.22Å; F9-Y262 HydrophobicContact CD1-CD1 4.22Å; F9-Y262 HydrophobicContact CD1-CG 4.22Å; F9-Y262 AromaticContact CD2-CD1 3.72Å; F9-Y262 HydrophobicContact CD2-CD1 3.72Å; F9-Y262 AromaticContact CD2-CD2 3.68Å; F9-Y262 HydrophobicContact CD2-CD2 3.68Å; F9-Y262 AromaticContact CD2-CE1 3.86Å; F9-Y262 HydrophobicContact CD2-CE1 3.86Å; F9-Y262 AromaticContact CD2-CE2 3.82Å; F9-Y262 HydrophobicContact CD2-CE2 3.82Å; F9-Y262 AromaticContact CD2-CG 3.62Å; F9-Y262 HydrophobicContact CD2-CG 3.62Å; F9-Y262 AromaticContact CD2-CZ 3.91Å; F9-Y262 HydrophobicContact CE1-CG 4.11Å; F9-Y262 HydrophobicContact CE2-CD1 4.12Å; F9-Y262 AromaticContact CE2-CD2 3.36Å; F9-Y262 HydrophobicContact CE2-CD2 3.36Å; F9-Y262 AromaticContact CE2-CE2 3.85Å; F9-Y262 HydrophobicContact CE2-CE2 3.85Å; F9-Y262 AromaticContact CE2-CG 3.51Å; F9-Y262 HydrophobicContact CE2-CG 3.51Å; F9-Y262 AromaticContact CG-CD1 3.78Å; F9-Y262 HydrophobicContact CG-CD1 3.78Å; F9-Y262 HydrophobicContact CG-CD2 4.5Å; F9-Y262 HydrophobicContact CG-CE1 4.11Å; F9-Y262 AromaticContact CG-CG 3.99Å; F9-Y262 HydrophobicContact CG-CG 3.99Å; F9-Y262 AromaticContact CZ-CD2 3.95Å; F9-Y262 HydrophobicContact CZ-CD2 3.95Å; F9-Y262 AromaticContact CZ-CG 3.78Å; F9-Y262 HydrophobicContact CZ-CG 3.78Å
10T67Low64.7Low109 Ų109105.4 Ų105.467%0.66952%0.524SS*.  trans-83.6117.1174.335.70000111.6G8 I12G8-T10 PolarHBondContact O-N 3.02Å; T10-I12 PolarHBondContact O-N 3.06Å
11V75.2Confident66Low67 Ų67100.7 Ų100.741%0.40650%0.5SS..  trans-71.1111.5178.3176.10000110.5F9 L13 P257F9-V11 HydrophobicContact CD1-CG2 4.13Å; F9-V11 HydrophobicContact CE1-CG2 3.75Å; V11-L13 HydrophobicContact CG1-CD2 3.88Å; V11-L13 HydrophobicContact CG1-CG 4.08Å; V11-P257 VanDerWaalsContact CG1-O 3.24Å; V11-P257 WeakPolarHBondContact CG1-O 3.47Å
12I80.7Confident69Low83 Ų8395.1 Ų95.143%0.42647%0.474SS..  trans-106.9108.5178.6-63168.9000110.4T10 Y14 T255T10-I12 PolarHBondContact O-N 3.06Å; I12-Y14 HydrophobicContact CG2-CE1 4.02Å; I12-Y14 HydrophobicContact CG2-CE2 4.4Å; I12-T255 PolarHBondContact O-OG1 3.2Å
13L85.2Confident72.2Confident59 Ų5985.4 Ų85.431%0.30943%0.429SS..  trans-95.299.4179.8-58.3-179.5000112.1V11 R17 P257V11-L13 HydrophobicContact CG1-CD2 3.88Å; V11-L13 HydrophobicContact CG1-CG 4.08Å; L13-R17 VanDerWaalsContact C-NH1 3.3Å; L13-R17 PolarHBondContact O-NH1 3.31Å; L13-P257 HydrophobicContact CD2-CB 3.5Å; L13-P257 VanDerWaalsContact CD2-CB 3.5Å
14Y86.5Confident75.2Confident80 Ų8078 Ų7831%0.31440%0.397SS..  trans-63.6140.7179.6-59.7-77.2000113.5I12 R16 R17 P253 K254 T255I12-Y14 HydrophobicContact CG2-CE1 4.02Å; I12-Y14 HydrophobicContact CG2-CE2 4.4Å; Y14-R16 PolarHBondContact O-N 3.24Å; Y14-R16 VanDerWaalsContact O-N 3.08Å; Y14-R17 WeakPolarHBondContact O-CG 3.45Å; Y14-R17 PolarHBondContact O-N 3.05Å; Y14-R17 PolarHBondContact O-NH1 3.19Å; Y14-P253 HydrophobicContact CD2-CB 3.89Å; Y14-P253 HydrophobicContact CE2-CB 4.2Å; Y14-K254 HydrophobicContact CE2-CB 3.99Å; Y14-T255 WeakPolarHBondContact CE2-OG1 3.43Å; Y14-T255 PolarHBondContact OH-OG1 3.05Å
15K88.6Confident78.4Confident191 Ų19170.3 Ų70.383%0.8337%0.366SS*.THydrogen-bonded Turntrans-56-24.8172.6-69.2-170.6177.6-175.70113.5R17 W18K15-R17 PolarHBondContact O-N 2.69Å; K15-R17 VanDerWaalsContact O-N 3.12Å; K15-W18 PolarHBondContact O-N 3.48Å
16R89.8Confident81.4Confident79 Ų7964.3 Ų64.330%0.29834%0.34SS..Hα-helixtrans-61.1-16.9178.7-165.4176.1-171.7131.7-1.9114.2Y14 W18 F19 S20 W165 G248Y14-R16 PolarHBondContact O-N 3.24Å; Y14-R16 VanDerWaalsContact O-N 3.08Å; R16-W18 VanDerWaalsContact C-N 3.33Å; R16-W18 PolarHBondContact O-N 2.87Å; R16-F19 PolarHBondContact O-N 3.45Å; R16-S20 PolarHBondContact O-N 3.36Å; R16-S20 PolarHBondContact O-OG 2.99Å; R16-W165 HydrophobicContact CB-CZ3 4.18Å; R16-W165 HydrophobicContact CG-CH2 4.49Å; R16-W165 HydrophobicContact CG-CZ3 4.35Å; R16-G248 PolarHBondContact NE-O 3.13Å; R16-G248 PolarHBondContact NH2-O 3.26Å
17R91.9Very high84.4Confident25 Ų2561 Ų619%0.09431%0.312CS..Hα-helixtrans-57.5-45.3174.968.6-171.2-178.7-83.712.7112.2L13 Y14 K15 F19 S20 L21 W165 F166 E170L13-R17 VanDerWaalsContact C-NH1 3.3Å; L13-R17 PolarHBondContact O-NH1 3.31Å; Y14-R17 WeakPolarHBondContact O-CG 3.45Å; Y14-R17 PolarHBondContact O-N 3.05Å; Y14-R17 PolarHBondContact O-NH1 3.19Å; K15-R17 PolarHBondContact O-N 2.69Å; K15-R17 VanDerWaalsContact O-N 3.12Å; R17-F19 VanDerWaalsContact C-N 3.34Å; R17-F19 PolarHBondContact O-N 3.07Å; R17-S20 PolarHBondContact O-N 3.1Å; R17-L21 PolarHBondContact O-N 3.01Å; R17-W165 HydrophobicContact CB-CB 3.97Å; R17-W165 HydrophobicContact CB-CE3 4.03Å; R17-W165 WeakPolarHBondContact CB-O 3.42Å; R17-W165 VanDerWaalsContact CD-O 3.24Å; R17-W165 WeakPolarHBondContact CD-O 3.32Å; R17-F166 HydrophobicContact CB-CD1 4.36Å; R17-F166 HydrophobicContact CB-CD2 4.2Å; R17-F166 HydrophobicContact CB-CE1 4.07Å; R17-F166 HydrophobicContact CB-CE2 3.88Å; R17-F166 HydrophobicContact CB-CG 4.43Å; R17-F166 HydrophobicContact CB-CZ 3.81Å; R17-F166 HydrophobicContact CG-CD1 3.91Å; R17-F166 HydrophobicContact CG-CE1 3.61Å; R17-F166 HydrophobicContact CG-CE2 4.35Å; R17-F166 HydrophobicContact CG-CG 4.42Å; R17-F166 HydrophobicContact CG-CZ 3.84Å; R17-E170 IonicContact CZ-OE1 3.27Å; R17-E170 IonicContact CZ-OE2 2.8Å; R17-E170 IonicContact NE-OE1 3.83Å; R17-E170 IonicContact NE-OE2 2.72Å; R17-E170 PolarHBondContact NE-OE2 2.91Å; R17-E170 IonicContact NH2-OE1 3.88Å; R17-E170 PolarHBondContact NH2-OE1 2.98Å; R17-E170 IonicContact NH2-OE2 3.22Å; R17-E170 PolarHBondContact NH2-OE2 3.28Å
18W93.1Very high86.8Confident107 Ų10756.9 Ų56.941%0.40529%0.29SS..Hα-helixtrans-64.5-35.1176.6-63.2107.3000113.2K15 R16 L21 L22 F166 L177K15-W18 PolarHBondContact O-N 3.48Å; R16-W18 VanDerWaalsContact C-N 3.33Å; R16-W18 PolarHBondContact O-N 2.87Å; W18-L21 HydrophobicContact CE3-CD2 4.08Å; W18-L21 HydrophobicContact CZ3-CD2 4.07Å; W18-L21 PolarHBondContact O-N 3Å; W18-L22 WeakPolarHBondContact O-CB 3.39Å; W18-L22 PolarHBondContact O-N 3.36Å; W18-F166 AromaticContact CD2-CE1 3.83Å; W18-F166 HydrophobicContact CD2-CE1 3.83Å; W18-F166 HydrophobicContact CD2-CZ 4.33Å; W18-F166 AromaticContact CE2-CE1 3.8Å; W18-F166 AromaticContact CE3-CE1 3.89Å; W18-F166 HydrophobicContact CE3-CE1 3.89Å; W18-F166 HydrophobicContact CE3-CZ 4.23Å; W18-F166 AromaticContact CH2-CE1 3.91Å; W18-F166 HydrophobicContact CH2-CE1 3.91Å; W18-F166 HydrophobicContact CZ2-CD1 4.39Å; W18-F166 AromaticContact CZ2-CE1 3.85Å; W18-F166 HydrophobicContact CZ2-CE1 3.85Å; W18-F166 AromaticContact CZ3-CE1 3.93Å; W18-F166 HydrophobicContact CZ3-CE1 3.93Å; W18-L177 HydrophobicContact CZ3-CD1 3.83Å
19F92.8Very high88.9Confident93 Ų9355 Ų5541%0.40826%0.262SS..Hα-helixtrans-71.8-37.8175.1-174.8-115.3000112.4R16 R17 L21 L22 I23R16-F19 PolarHBondContact O-N 3.45Å; R17-F19 VanDerWaalsContact C-N 3.34Å; R17-F19 PolarHBondContact O-N 3.07Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-L22 PolarHBondContact O-N 2.99Å; F19-I23 HydrophobicContact CD1-CD1 3.95Å; F19-I23 HydrophobicContact CE1-CD1 3.66Å; F19-I23 HydrophobicContact CZ-CD1 3.97Å; F19-I23 WeakPolarHBondContact O-CG1 3.48Å; F19-I23 PolarHBondContact O-N 3.34Å
20S92.3Very high90.5Very high0 Ų053 Ų530%025%0.253CS..Hα-helixtrans-65.8-37.9173.4-52.10000111.3R16 R17 F24R16-S20 PolarHBondContact O-N 3.36Å; R16-S20 PolarHBondContact O-OG 2.99Å; R17-S20 PolarHBondContact O-N 3.1Å; S20-F24 PolarHBondContact O-N 3.28Å; S20-F24 VanDerWaalsContact O-N 3.13Å
21L93.3Very high92Very high6 Ų647.8 Ų47.83%0.03122%0.221CC..Hα-helixtrans-64.7-46.9172.4-177.760.2000112.1R17 W18 F19 I23 F24 C25 L161 F166 A174 L177R17-L21 PolarHBondContact O-N 3.01Å; W18-L21 HydrophobicContact CE3-CD2 4.08Å; W18-L21 HydrophobicContact CZ3-CD2 4.07Å; W18-L21 PolarHBondContact O-N 3Å; F19-L21 VanDerWaalsContact C-N 3.33Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-I23 PolarHBondContact O-N 3.13Å; L21-F24 HydrophobicContact CD1-CD1 4.5Å; L21-F24 WeakPolarHBondContact O-CB 3.5Å; L21-F24 PolarHBondContact O-N 2.92Å; L21-F24 VanDerWaalsContact O-N 3.09Å; L21-C25 PolarHBondContact O-N 2.94Å; L21-C25 PolarHBondContact O-SG 3.27Å; L21-L161 HydrophobicContact CD1-CD2 3.85Å; L21-F166 HydrophobicContact CB-CE2 4.18Å; L21-F166 HydrophobicContact CB-CZ 3.86Å; L21-F166 HydrophobicContact CD2-CE1 4.36Å; L21-F166 HydrophobicContact CD2-CE2 4.36Å; L21-F166 HydrophobicContact CD2-CZ 3.7Å; L21-F166 HydrophobicContact CG-CZ 4.38Å; L21-A174 HydrophobicContact CD2-CB 4.17Å; L21-L177 HydrophobicContact CD2-CB 4.09Å; L21-L177 HydrophobicContact CD2-CD1 4.22Å
22L94.6Very high93.1Very high95 Ų9544.6 Ų44.650%0.49720%0.202SC..Hα-helixtrans-57.9-44.617718061.6000112.2W18 F19 F24 C25 L26W18-L22 WeakPolarHBondContact O-CB 3.39Å; W18-L22 PolarHBondContact O-N 3.36Å; F19-L22 PolarHBondContact O-N 2.99Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.29Å; L22-C25 PolarHBondContact O-N 2.8Å; L22-L26 HydrophobicContact CD1-CD1 4.27Å; L22-L26 HydrophobicContact CD1-CG 4.32Å; L22-L26 HydrophobicContact CG-CD1 4.15Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.92Å
23I94Very high93.9Very high2 Ų240.7 Ų40.71%0.0118%0.182CC..Hα-helixtrans-57.8-46.5174.4-69.5166000110.7F19 L21 L26 C27 L96 F244 A245F19-I23 HydrophobicContact CD1-CD1 3.95Å; F19-I23 HydrophobicContact CE1-CD1 3.66Å; F19-I23 HydrophobicContact CZ-CD1 3.97Å; F19-I23 WeakPolarHBondContact O-CG1 3.48Å; F19-I23 PolarHBondContact O-N 3.34Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-I23 PolarHBondContact O-N 3.13Å; I23-L26 PolarHBondContact O-N 2.75Å; I23-C27 PolarHBondContact O-N 2.98Å; I23-C27 PolarHBondContact O-SG 3.24Å; I23-L96 HydrophobicContact CG2-CD2 4.45Å; I23-F244 HydrophobicContact CD1-CB 4.46Å; I23-F244 WeakPolarHBondContact CD1-O 3.36Å; I23-F244 HydrophobicContact CG1-CB 4.04Å; I23-A245 HydrophobicContact CG2-CB 3.9Å
24F95Very high94.5Very high1 Ų137.9 Ų37.90%0.00417%0.167CC..Hα-helixtrans-63.5-46.1177.6171.5-100.4000112.7S20 L21 L22 L26 C27 S28 L96 I154 I157 P158 L161S20-F24 PolarHBondContact O-N 3.28Å; S20-F24 VanDerWaalsContact O-N 3.13Å; L21-F24 HydrophobicContact CD1-CD1 4.5Å; L21-F24 WeakPolarHBondContact O-CB 3.5Å; L21-F24 PolarHBondContact O-N 2.92Å; L21-F24 VanDerWaalsContact O-N 3.09Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.29Å; F24-L26 VanDerWaalsContact C-N 3.26Å; F24-L26 PolarHBondContact O-N 3.27Å; F24-C27 PolarHBondContact O-N 2.76Å; F24-S28 WeakPolarHBondContact O-CB 3.46Å; F24-S28 PolarHBondContact O-N 3.44Å; F24-L96 HydrophobicContact CB-CD2 4.04Å; F24-L96 HydrophobicContact CD2-CD1 4.03Å; F24-L96 HydrophobicContact CD2-CD2 4.05Å; F24-I154 HydrophobicContact CE2-CG2 4.09Å; F24-I154 WeakPolarHBondContact CE2-O 3.43Å; F24-I154 HydrophobicContact CZ-CG2 4.44Å; F24-I157 HydrophobicContact CD2-CB 4.09Å; F24-I157 HydrophobicContact CD2-CG2 3.54Å; F24-I157 HydrophobicContact CE2-CB 3.56Å; F24-I157 HydrophobicContact CE2-CG2 3.53Å; F24-I157 HydrophobicContact CG-CG2 4.15Å; F24-I157 HydrophobicContact CZ-CB 4.07Å; F24-I157 HydrophobicContact CZ-CG2 4.14Å; F24-P158 HydrophobicContact CE1-CB 4.32Å; F24-P158 HydrophobicContact CE1-CG 3.76Å; F24-P158 HydrophobicContact CZ-CG 3.76Å; F24-L161 HydrophobicContact CB-CD2 3.4Å; F24-L161 VanDerWaalsContact CB-CD2 3.4Å; F24-L161 HydrophobicContact CD1-CD2 3.63Å; F24-L161 HydrophobicContact CD2-CD2 4.41Å; F24-L161 HydrophobicContact CG-CD2 3.51Å
25C95.9Very high95Very high21 Ų2135 Ų3514%0.14216%0.156CC..Hα-helixtrans-57.8-40.7177.1-65.20000111.1L21 L22 S28 F29 L177L21-C25 PolarHBondContact O-N 2.94Å; L21-C25 PolarHBondContact O-SG 3.27Å; L22-C25 PolarHBondContact O-N 2.8Å; C25-S28 PolarHBondContact O-N 3.42Å; C25-F29 WeakPolarHBondContact O-CB 3.15Å; C25-F29 PolarHBondContact O-N 2.89Å; C25-L177 PolarHBondContact SG-O 3.12Å
26L96.1Very high95.5Very high59 Ų5925.9 Ų25.931%0.30912%0.117SC..Hα-helixtrans-67.5-41.3176.2-70.6171000112.9L22 I23 F24 S28 G30 P241 F244L22-L26 HydrophobicContact CD1-CD1 4.27Å; L22-L26 HydrophobicContact CD1-CG 4.32Å; L22-L26 HydrophobicContact CG-CD1 4.15Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.92Å; I23-L26 PolarHBondContact O-N 2.75Å; F24-L26 VanDerWaalsContact C-N 3.26Å; F24-L26 PolarHBondContact O-N 3.27Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-G30 PolarHBondContact O-N 3.37Å; L26-P241 HydrophobicContact CB-CB 4.11Å; L26-P241 HydrophobicContact CB-CG 3.99Å; L26-F244 HydrophobicContact CD1-CD2 4.22Å; L26-F244 HydrophobicContact CD1-CE2 4.44Å
27C96.5Very high95.8Very high2 Ų222.1 Ų22.11%0.01410%0.102CC..Hα-helixtrans-62.3-41.7172.7-67.50000111.9I23 F24 N31 L96 P241I23-C27 PolarHBondContact O-N 2.98Å; I23-C27 PolarHBondContact O-SG 3.24Å; F24-C27 PolarHBondContact O-N 2.76Å; C27-N31 PolarHBondContact O-N 3.03Å; C27-N31 VanDerWaalsContact O-N 3.12Å; C27-L96 HydrophobicContact CB-CD1 3.81Å; C27-P241 HydrophobicContact CB-CB 4.39Å; C27-P241 VanDerWaalsContact SG-CB 3.51Å
28S96.8Very high96.1Very high2 Ų221 Ų211%0.01410%0.098CC..Hα-helixtrans-67.7-43.4179.3-164.80000111.8F24 C25 L26 N31 A32 N182F24-S28 WeakPolarHBondContact O-CB 3.46Å; F24-S28 PolarHBondContact O-N 3.44Å; C25-S28 PolarHBondContact O-N 3.42Å; L26-S28 VanDerWaalsContact C-N 3.34Å; S28-N31 PolarHBondContact O-N 3.39Å; S28-A32 VanDerWaalsContact O-CB 3.29Å; S28-A32 WeakPolarHBondContact O-CB 3.43Å; S28-A32 PolarHBondContact O-N 2.64Å; S28-N182 WeakPolarHBondContact OG-CB 3.37Å; S28-N182 PolarHBondContact OG-ND2 3.29Å
29F97.6Very high96.3Very high31 Ų3115.9 Ų15.914%0.1368%0.079CC..Hα-helixtrans-57-50.6172.9-177.9-78.6000111.3C25 N31 A32 Y33 G181 L184 G185 F188 L237C25-F29 WeakPolarHBondContact O-CB 3.15Å; C25-F29 PolarHBondContact O-N 2.89Å; F29-N31 VanDerWaalsContact C-N 3.32Å; F29-N31 PolarHBondContact O-N 3.08Å; F29-A32 PolarHBondContact O-N 3.21Å; F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 3.32Å; F29-G181 WeakPolarHBondContact CA-O 3.48Å; F29-G181 WeakPolarHBondContact CB-O 3.48Å; F29-G181 PolarHBondContact N-O 3.12Å; F29-L184 HydrophobicContact CD2-CB 3.84Å; F29-L184 VanDerWaalsContact CE2-C 3.47Å; F29-L184 HydrophobicContact CE2-CB 3.92Å; F29-L184 WeakPolarHBondContact CE2-O 3.12Å; F29-G185 VanDerWaalsContact CD2-CA 3.47Å; F29-G185 WeakPolarHBondContact O-CA 2.88Å; F29-F188 HydrophobicContact CE1-CB 4.36Å; F29-F188 HydrophobicContact CE2-CB 4.25Å; F29-F188 AromaticContact CE2-CD2 3.91Å; F29-F188 HydrophobicContact CE2-CD2 3.91Å; F29-F188 HydrophobicContact CE2-CE2 4.41Å; F29-F188 HydrophobicContact CE2-CG 4.01Å; F29-F188 HydrophobicContact CZ-CB 3.65Å; F29-F188 AromaticContact CZ-CD1 3.78Å; F29-F188 HydrophobicContact CZ-CD1 3.78Å; F29-F188 AromaticContact CZ-CD2 3.87Å; F29-F188 HydrophobicContact CZ-CD2 3.87Å; F29-F188 HydrophobicContact CZ-CE1 4.38Å; F29-F188 HydrophobicContact CZ-CE2 4.46Å; F29-F188 AromaticContact CZ-CG 3.49Å; F29-F188 HydrophobicContact CZ-CG 3.49Å; F29-F188 VanDerWaalsContact CZ-CG 3.49Å; F29-L237 HydrophobicContact CD1-CD1 3.9Å; F29-L237 HydrophobicContact CD1-CD2 4.16Å; F29-L237 HydrophobicContact CD1-CG 4.38Å; F29-L237 HydrophobicContact CE1-CD1 3.77Å; F29-L237 HydrophobicContact CE1-CD2 3.89Å; F29-L237 HydrophobicContact CE1-CG 4.37Å
30G97.7Very high96.5Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-60.4-39.8179.500000112.8L26 Q34 N238L26-G30 PolarHBondContact O-N 3.37Å; G30-Q34 WeakPolarHBondContact O-CB 3.35Å; G30-Q34 WeakPolarHBondContact O-CG 3.3Å; G30-Q34 PolarHBondContact O-N 3.27Å; G30-Q34 VanDerWaalsContact O-N 3.09Å; G30-N238 VanDerWaalsContact CA-OD1 3.24Å; G30-N238 WeakPolarHBondContact CA-OD1 3.21Å; G30-N238 PolarHBondContact O-ND2 3.16Å; G30-N238 PolarHBondContact O-OD1 2.63Å
31N98.1Very high96.7Very high0 Ų011.5 Ų11.50%06%0.06CC..Hα-helixtrans-71.1-40.4177.2-171.3-109.6000113.5C27 S28 F29 Q34 W35 Y72 N103 C147 Q151 I154C27-N31 PolarHBondContact O-N 3.03Å; C27-N31 VanDerWaalsContact O-N 3.12Å; S28-N31 PolarHBondContact O-N 3.39Å; F29-N31 VanDerWaalsContact C-N 3.32Å; F29-N31 PolarHBondContact O-N 3.08Å; N31-Q34 PolarHBondContact O-N 2.88Å; N31-W35 PolarHBondContact O-N 2.9Å; N31-W35 VanDerWaalsContact O-N 3.08Å; N31-Y72 PolarHBondContact O-OH 3.22Å; N31-N103 WeakPolarHBondContact CA-ND2 3.41Å; N31-N103 VanDerWaalsContact CB-ND2 3.32Å; N31-N103 WeakPolarHBondContact CB-ND2 3.44Å; N31-N103 PolarHBondContact N-ND2 3.3Å; N31-N103 VanDerWaalsContact N-ND2 3.2Å; N31-N103 PolarHBondContact ND2-OD1 3.43Å; N31-C147 PolarHBondContact ND2-O 3.13Å; N31-Q151 VanDerWaalsContact OD1-CA 3.3Å; N31-Q151 WeakPolarHBondContact OD1-CA 3.39Å; N31-Q151 WeakPolarHBondContact OD1-CB 3.46Å; N31-Q151 WeakPolarHBondContact OD1-CG 3.27Å; N31-I154 HydrophobicContact CB-CD1 3.8Å
32A97.8Very high96.8Very high1 Ų111.4 Ų11.41%0.0086%0.059CC..Hα-helixtrans-68-36.8177.100000113S28 F29 N182 V186S28-A32 VanDerWaalsContact O-CB 3.29Å; S28-A32 WeakPolarHBondContact O-CB 3.43Å; S28-A32 PolarHBondContact O-N 2.64Å; F29-A32 PolarHBondContact O-N 3.21Å; A32-N182 WeakPolarHBondContact CB-O 3.49Å; A32-V186 HydrophobicContact CB-CG2 3.79Å
33Y98.1Very high96.7Very high0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-59.9-52.8168.2178.9-89.2000110.6F29 W35 I36 H37 G185 F188 V192 F233 S234 L237F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 3.32Å; Y33-W35 PolarHBondContact O-N 2.87Å; Y33-W35 VanDerWaalsContact O-N 3.13Å; Y33-I36 PolarHBondContact O-N 2.88Å; Y33-H37 HydrophobicContact CD1-CB 4.21Å; Y33-H37 HydrophobicContact CD2-CB 4.49Å; Y33-H37 HydrophobicContact CE1-CB 3.85Å; Y33-H37 AromaticContact CE1-CD2 3.41Å; Y33-H37 VanDerWaalsContact CE1-CD2 3.41Å; Y33-H37 WeakPolarHBondContact CE1-CD2 3.5Å; Y33-H37 AromaticContact CE1-CG 3.64Å; Y33-H37 HydrophobicContact CE2-CB 4.14Å; Y33-H37 AromaticContact CZ-CD2 3.88Å; Y33-H37 VanDerWaalsContact O-CB 3.26Å; Y33-H37 WeakPolarHBondContact O-CB 3.35Å; Y33-H37 PolarHBondContact O-N 3.4Å; Y33-H37 VanDerWaalsContact O-N 3.11Å; Y33-H37 PolarHBondContact O-ND1 3.44Å; Y33-G185 WeakPolarHBondContact CA-O 3.44Å; Y33-G185 PolarHBondContact N-O 3.47Å; Y33-F188 HydrophobicContact CD2-CB 4.22Å; Y33-F188 WeakPolarHBondContact CE2-O 3.31Å; Y33-V192 HydrophobicContact CE2-CB 4.13Å; Y33-F233 HydrophobicContact CE1-CE1 4.48Å; Y33-F233 HydrophobicContact CE2-CE1 4.14Å; Y33-F233 AromaticContact CZ-CE1 3.95Å; Y33-S234 WeakPolarHBondContact CE1-OG 3.24Å; Y33-L237 HydrophobicContact CD1-CD2 3.82Å; Y33-L237 HydrophobicContact CD2-CD2 4.23Å; Y33-L237 HydrophobicContact CE1-CD2 4.39Å; Y33-L237 HydrophobicContact CG-CD2 3.74Å
34Q97.8Very high96.7Very high0 Ų07.1 Ų7.10%04%0.037CC..Hα-helixtrans-57.8-29.5-178.3-73-78.18.900113.3G30 N31 H37 Y72 Q144 C147 S234 N238G30-Q34 WeakPolarHBondContact O-CB 3.35Å; G30-Q34 WeakPolarHBondContact O-CG 3.3Å; G30-Q34 PolarHBondContact O-N 3.27Å; G30-Q34 VanDerWaalsContact O-N 3.09Å; N31-Q34 PolarHBondContact O-N 2.88Å; Q34-H37 WeakPolarHBondContact CA-ND1 3.19Å; Q34-H37 PolarHBondContact O-CE1 3.44Å; Q34-H37 PolarHBondContact O-ND1 3.4Å; Q34-H37 VanDerWaalsContact O-ND1 3.07Å; Q34-H37 PolarHBondContact OE1-CE1 3.31Å; Q34-H37 VanDerWaalsContact OE1-CE1 3.23Å; Q34-Y72 WeakPolarHBondContact CB-OH 3.36Å; Q34-Q144 PolarHBondContact O-NE2 2.93Å; Q34-Q144 VanDerWaalsContact O-NE2 3.11Å; Q34-Q144 PolarHBondContact O-OE1 3.05Å; Q34-C147 HydrophobicContact CB-CB 4.25Å; Q34-S234 PolarHBondContact NE2-O 2.99Å; Q34-S234 VanDerWaalsContact NE2-O 3.1Å; Q34-S234 PolarHBondContact NE2-OG 3.48Å; Q34-S234 PolarHBondContact OE1-OG 3.37Å; Q34-S234 VanDerWaalsContact OE1-OG 3.13Å; Q34-N238 VanDerWaalsContact CG-ND2 3.33Å; Q34-N238 WeakPolarHBondContact CG-ND2 3.33Å; Q34-N238 PolarHBondContact NE2-ND2 3.5Å; Q34-N238 VanDerWaalsContact NE2-ND2 3.12Å
35W98.2Very high96.7Very high20 Ų207 Ų78%0.0764%0.037CC..Hα-helixtrans-63.3-57.9176.4170.143.2000112.2N31 Y33 S69 Y72 M73 Q144 V186 Y405N31-W35 PolarHBondContact O-N 2.9Å; N31-W35 VanDerWaalsContact O-N 3.08Å; Y33-W35 PolarHBondContact O-N 2.87Å; Y33-W35 VanDerWaalsContact O-N 3.13Å; W35-S69 PolarHBondContact NE1-OG 2.84Å; W35-Y72 HydrophobicContact CB-CD1 3.84Å; W35-Y72 HydrophobicContact CB-CE1 3.59Å; W35-Y72 HydrophobicContact CB-CE2 4.33Å; W35-Y72 HydrophobicContact CB-CG 4.29Å; W35-Y72 AromaticContact CD1-CG 3.75Å; W35-Y72 HydrophobicContact CG-CD1 4.1Å; W35-Y72 HydrophobicContact CG-CE1 4.34Å; W35-Y72 HydrophobicContact CG-CG 4.26Å; W35-Y72 PolarHBondContact N-OH 2.85Å; W35-Y72 VanDerWaalsContact N-OH 3.12Å; W35-M73 HydrophobicContact CZ2-CE 3.96Å; W35-Q144 PolarHBondContact O-NE2 2.85Å; W35-V186 HydrophobicContact CE3-CG1 4.39Å; W35-V186 HydrophobicContact CE3-CG2 4.15Å; W35-V186 HydrophobicContact CZ3-CG1 3.97Å; W35-V186 HydrophobicContact CZ3-CG2 4.04Å; W35-Y405 AromaticContact CH2-CD1 3.67Å; W35-Y405 HydrophobicContact CH2-CD1 3.67Å; W35-Y405 HydrophobicContact CH2-CE1 4.09Å; W35-Y405 HydrophobicContact CH2-CG 4.18Å; W35-Y405 HydrophobicContact CZ2-CD1 4.16Å; W35-Y405 HydrophobicContact CZ2-CG 4.21Å
36I97.6Very high96.5Very high0 Ų07 Ų70%04%0.035CC..Hα-helixtrans-98.3-20.3-163.9-158.663.3000114.5Y33 L38 N39 I40 V186 F190Y33-I36 PolarHBondContact O-N 2.88Å; I36-L38 PolarHBondContact O-N 2.98Å; I36-N39 PolarHBondContact O-N 2.9Å; I36-I40 PolarHBondContact O-N 2.99Å; I36-V186 HydrophobicContact CG2-CG1 4.09Å; I36-F190 HydrophobicContact CD1-CZ 4.18Å; I36-F190 HydrophobicContact CG1-CD2 4.46Å; I36-F190 HydrophobicContact CG1-CE1 4.1Å; I36-F190 HydrophobicContact CG1-CE2 3.85Å; I36-F190 HydrophobicContact CG1-CZ 3.63Å; I36-F190 HydrophobicContact CG2-CD2 4.42Å; I36-F190 HydrophobicContact CG2-CE2 4.46Å
37H97.7Very high96.3Very high0 Ų04.3 Ų4.30%02%0.021CC..THydrogen-bonded Turntrans-61.7-15.7-167.876.8-55.5000116.5Y33 Q34 I41 G189 P193 S234Y33-H37 HydrophobicContact CD1-CB 4.21Å; Y33-H37 HydrophobicContact CD2-CB 4.49Å; Y33-H37 HydrophobicContact CE1-CB 3.85Å; Y33-H37 AromaticContact CE1-CD2 3.41Å; Y33-H37 VanDerWaalsContact CE1-CD2 3.41Å; Y33-H37 WeakPolarHBondContact CE1-CD2 3.5Å; Y33-H37 AromaticContact CE1-CG 3.64Å; Y33-H37 HydrophobicContact CE2-CB 4.14Å; Y33-H37 AromaticContact CZ-CD2 3.88Å; Y33-H37 VanDerWaalsContact O-CB 3.26Å; Y33-H37 WeakPolarHBondContact O-CB 3.35Å; Y33-H37 PolarHBondContact O-N 3.4Å; Y33-H37 VanDerWaalsContact O-N 3.11Å; Y33-H37 PolarHBondContact O-ND1 3.44Å; Q34-H37 WeakPolarHBondContact CA-ND1 3.19Å; Q34-H37 PolarHBondContact O-CE1 3.44Å; Q34-H37 PolarHBondContact O-ND1 3.4Å; Q34-H37 VanDerWaalsContact O-ND1 3.07Å; Q34-H37 PolarHBondContact OE1-CE1 3.31Å; Q34-H37 VanDerWaalsContact OE1-CE1 3.23Å; H37-I41 WeakPolarHBondContact O-CG1 3.3Å; H37-G189 WeakPolarHBondContact CA-O 3.44Å; H37-P193 HydrophobicContact CB-CG 3.73Å; H37-P193 VanDerWaalsContact O-CG 3.27Å; H37-P193 WeakPolarHBondContact O-CG 3.38Å; H37-S234 PolarHBondContact NE2-OG 3.02Å
38L97.8Very high96.1Very high0 Ų04.4 Ų4.40%02%0.021CC..THydrogen-bonded Turntrans-95.5-27.7176.3-66167000112.7I36 I41 V45 W49 L68 L140 M230I36-L38 PolarHBondContact O-N 2.98Å; L38-I41 HydrophobicContact CD2-CD1 4.45Å; L38-I41 CarbonylContact O-C 3.57Å; L38-I41 WeakPolarHBondContact O-CG1 3.32Å; L38-I41 PolarHBondContact O-N 3.18Å; L38-V45 HydrophobicContact CB-CG2 4.35Å; L38-V45 HydrophobicContact CD2-CG2 4.18Å; L38-V45 WeakPolarHBondContact O-CG2 3.44Å; L38-W49 HydrophobicContact CD2-CZ3 4.43Å; L38-L68 HydrophobicContact CB-CD1 3.87Å; L38-L68 HydrophobicContact CD1-CD1 4.05Å; L38-L68 HydrophobicContact CD1-CD2 4.47Å; L38-L140 HydrophobicContact CD1-CD1 3.97Å; L38-L140 HydrophobicContact CD1-CD2 4.3Å; L38-L140 HydrophobicContact CD1-CG 4.26Å; L38-M230 HydrophobicContact CD2-CE 3.94Å
39N97.5Very high96Very high0 Ų04.4 Ų4.40%02%0.021CC..G310 helixtrans-80.1-25.4-177.9-7192.8000112.7I36 I41 S42 V65 D66 S69 T409I36-N39 PolarHBondContact O-N 2.9Å; N39-I41 PolarHBondContact O-N 2.93Å; N39-S42 WeakPolarHBondContact O-CB 3.47Å; N39-S42 PolarHBondContact O-N 3Å; N39-S42 PolarHBondContact O-OG 2.68Å; N39-V65 PolarHBondContact ND2-O 3.04Å; N39-D66 WeakPolarHBondContact ND2-CA 3.45Å; N39-D66 PolarHBondContact ND2-OD1 3.33Å; N39-S69 PolarHBondContact OD1-N 2.87Å; N39-T409 HydrophobicContact CB-CG2 4.14Å
40I97.1Very high95.6Very high1 Ų14 Ų41%0.0052%0.02CC..G310 helixtrans-73-9.3173.1-165.653.3000114.1I36 G189 F190 P193 P194 L411 N412I36-I40 PolarHBondContact O-N 2.99Å; I40-G189 WeakPolarHBondContact CG2-O 3.43Å; I40-F190 HydrophobicContact CB-CD1 4.08Å; I40-F190 HydrophobicContact CB-CE1 4.49Å; I40-F190 HydrophobicContact CD1-CD1 3.56Å; I40-F190 HydrophobicContact CD1-CE1 3.9Å; I40-F190 HydrophobicContact CG1-CD1 3.66Å; I40-F190 HydrophobicContact CG1-CE1 4.33Å; I40-P193 HydrophobicContact CG2-CB 4.31Å; I40-P193 HydrophobicContact CG2-CG 4.19Å; I40-P194 HydrophobicContact CG1-CG 4.05Å; I40-P194 HydrophobicContact CG2-CG 4.19Å; I40-L411 HydrophobicContact CD1-CB 4.32Å; I40-L411 HydrophobicContact CD1-CD2 4.34Å; I40-N412 HydrophobicContact CD1-CB 4.32Å; I40-N412 WeakPolarHBondContact O-CB 3.47Å; I40-N412 PolarHBondContact O-ND2 2.91Å
41I95.8Very high95Very high1 Ų15.1 Ų5.11%0.0053%0.029CC..G310 helixtrans-124.535.4176.152.2164.2000110.1H37 L38 N39 D43 I44 V45 P193 P194 L197 M227 M230H37-I41 WeakPolarHBondContact O-CG1 3.3Å; L38-I41 HydrophobicContact CD2-CD1 4.45Å; L38-I41 CarbonylContact O-C 3.57Å; L38-I41 WeakPolarHBondContact O-CG1 3.32Å; L38-I41 PolarHBondContact O-N 3.18Å; N39-I41 PolarHBondContact O-N 2.93Å; I41-D43 PolarHBondContact O-N 2.77Å; I41-I44 HydrophobicContact CB-CB 4.29Å; I41-I44 HydrophobicContact CB-CD1 4Å; I41-I44 HydrophobicContact CG2-CD1 3.93Å; I41-I44 PolarHBondContact O-N 3.34Å; I41-V45 HydrophobicContact CD1-CG2 4.1Å; I41-V45 HydrophobicContact CG1-CG2 4.01Å; I41-V45 WeakPolarHBondContact O-CG2 3.43Å; I41-V45 PolarHBondContact O-N 2.68Å; I41-P193 HydrophobicContact CD1-CB 4.04Å; I41-P193 HydrophobicContact CG1-CB 4.31Å; I41-P193 HydrophobicContact CG2-CB 3.75Å; I41-P194 HydrophobicContact CG2-CB 4.42Å; I41-P194 HydrophobicContact CG2-CG 3.8Å; I41-L197 HydrophobicContact CB-CD1 4.47Å; I41-L197 HydrophobicContact CD1-CD1 3.33Å; I41-L197 HydrophobicContact CG1-CD1 4.46Å; I41-L197 HydrophobicContact CG2-CD1 4.24Å; I41-M227 HydrophobicContact CD1-CE 4.18Å; I41-M230 HydrophobicContact CD1-CE 4.28Å; I41-M230 HydrophobicContact CD1-SD 3.93Å
42S94.6Very high94.7Very high3 Ų35.6 Ų5.62%0.0213%0.032CC..Hα-helixtrans-57.3-32.9-174.851.20000112.9N39 V45 L46 N412 S413N39-S42 WeakPolarHBondContact O-CB 3.47Å; N39-S42 PolarHBondContact O-N 3Å; N39-S42 PolarHBondContact O-OG 2.68Å; S42-V45 PolarHBondContact O-N 3.2Å; S42-L46 VanDerWaalsContact O-CB 3.28Å; S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 WeakPolarHBondContact O-CD1 3.38Å; S42-L46 WeakPolarHBondContact O-CG 3.24Å; S42-L46 PolarHBondContact O-N 2.92Å; S42-N412 VanDerWaalsContact OG-CG 3.29Å; S42-N412 PolarHBondContact OG-OD1 3.38Å; S42-N412 VanDerWaalsContact OG-OD1 3.04Å; S42-S413 PolarHBondContact OG-OG 3.25Å
43D92.4Very high94.5Very high7 Ų75.9 Ų5.94%0.0373%0.034CC..Hα-helixtrans-58.2-48.6169.659.3-42.7000113I41 L46 F47 Y202 N412 L416 S422I41-D43 PolarHBondContact O-N 2.77Å; D43-L46 PolarHBondContact O-N 2.84Å; D43-F47 WeakPolarHBondContact O-CB 3.15Å; D43-F47 PolarHBondContact O-N 3.39Å; D43-Y202 HydrophobicContact CB-CE2 4.25Å; D43-N412 PolarHBondContact OD1-ND2 3.15Å; D43-L416 HydrophobicContact CB-CD1 3.59Å; D43-S422 WeakPolarHBondContact OD2-CB 3.33Å; D43-S422 PolarHBondContact OD2-OG 3.09Å
44I94.4Very high94.2Very high0 Ų09.7 Ų9.70%06%0.058CC..Hα-helixtrans-74.6-32.3-179.3-59.9148.9000110.9I41 F47 F48 L197 I200 V223 M227I41-I44 HydrophobicContact CB-CB 4.29Å; I41-I44 HydrophobicContact CB-CD1 4Å; I41-I44 HydrophobicContact CG2-CD1 3.93Å; I41-I44 PolarHBondContact O-N 3.34Å; I44-F47 PolarHBondContact O-N 3.35Å; I44-F48 WeakPolarHBondContact O-CB 3.38Å; I44-F48 PolarHBondContact O-N 3.42Å; I44-L197 HydrophobicContact CD1-CB 3.92Å; I44-L197 HydrophobicContact CD1-CD1 4.46Å; I44-L197 HydrophobicContact CG2-CD1 4.15Å; I44-L197 HydrophobicContact CG2-CD2 4.13Å; I44-I200 HydrophobicContact CG1-CD1 4.07Å; I44-I200 HydrophobicContact CG1-CG1 3.87Å; I44-V223 HydrophobicContact CG2-CG1 3.79Å; I44-M227 HydrophobicContact CG2-CE 3.89Å
45V95.1Very high93.7Very high0 Ų011.2 Ų11.20%07%0.074CC..Hα-helixtrans-68.1-43.8173.2170.70000110.9L38 I41 S42 W49 V65 L68 F137L38-V45 HydrophobicContact CB-CG2 4.35Å; L38-V45 HydrophobicContact CD2-CG2 4.18Å; L38-V45 WeakPolarHBondContact O-CG2 3.44Å; I41-V45 HydrophobicContact CD1-CG2 4.1Å; I41-V45 HydrophobicContact CG1-CG2 4.01Å; I41-V45 WeakPolarHBondContact O-CG2 3.43Å; I41-V45 PolarHBondContact O-N 2.68Å; S42-V45 PolarHBondContact O-N 3.2Å; V45-W49 HydrophobicContact CB-CE3 4.43Å; V45-W49 HydrophobicContact CG1-CE3 3.96Å; V45-W49 HydrophobicContact CG1-CZ3 4.45Å; V45-W49 HydrophobicContact CG2-CE3 4.45Å; V45-W49 HydrophobicContact CG2-CZ3 4.25Å; V45-W49 PolarHBondContact O-N 3.42Å; V45-V65 HydrophobicContact CB-CG1 4.35Å; V45-V65 HydrophobicContact CG1-CB 4.48Å; V45-V65 HydrophobicContact CG1-CG1 3.91Å; V45-V65 HydrophobicContact CG1-CG2 3.74Å; V45-L68 HydrophobicContact CG1-CD1 4.27Å; V45-F137 HydrophobicContact CG1-CE2 4.43Å
46L92.2Very high93Very high21 Ų2116.5 Ų16.511%0.1111%0.114CC..Hα-helixtrans-58.1-48.5172.1-77.3167.2000110.6S42 D43 D50 I53 K61 V65S42-L46 VanDerWaalsContact O-CB 3.28Å; S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 WeakPolarHBondContact O-CD1 3.38Å; S42-L46 WeakPolarHBondContact O-CG 3.24Å; S42-L46 PolarHBondContact O-N 2.92Å; D43-L46 PolarHBondContact O-N 2.84Å; L46-D50 VanDerWaalsContact O-CA 3.31Å; L46-D50 WeakPolarHBondContact O-CA 3.47Å; L46-D50 VanDerWaalsContact O-CB 3.23Å; L46-D50 WeakPolarHBondContact O-CB 3.2Å; L46-D50 PolarHBondContact O-N 3.17Å; L46-D50 VanDerWaalsContact O-N 3.16Å; L46-I53 HydrophobicContact CD2-CD1 4.21Å; L46-K61 HydrophobicContact CD2-CB 3.68Å; L46-V65 HydrophobicContact CD2-CG2 3.94Å; L46-V65 HydrophobicContact CG-CG2 4.14Å
47F91.7Very high92.5Very high2 Ų218.5 Ų18.51%0.00913%0.128CC..Hα-helixtrans-62-49.9177.5173.1-98.4000113.2D43 I44 T120 F122 I200 L210 V216 L219 F220 V223D43-F47 WeakPolarHBondContact O-CB 3.15Å; D43-F47 PolarHBondContact O-N 3.39Å; I44-F47 PolarHBondContact O-N 3.35Å; F47-T120 HydrophobicContact CE1-CG2 4.37Å; F47-T120 HydrophobicContact CE2-CG2 3.85Å; F47-T120 HydrophobicContact CZ-CG2 3.7Å; F47-F122 HydrophobicContact CB-CD2 4.27Å; F47-F122 HydrophobicContact CB-CE2 4.18Å; F47-F122 HydrophobicContact CD2-CB 4.11Å; F47-F122 AromaticContact CD2-CD1 3.98Å; F47-F122 HydrophobicContact CD2-CD1 3.98Å; F47-F122 AromaticContact CD2-CD2 3.78Å; F47-F122 HydrophobicContact CD2-CD2 3.78Å; F47-F122 HydrophobicContact CD2-CE1 4.36Å; F47-F122 HydrophobicContact CD2-CE2 4.17Å; F47-F122 AromaticContact CD2-CG 3.67Å; F47-F122 HydrophobicContact CD2-CG 3.67Å; F47-F122 HydrophobicContact CD2-CZ 4.45Å; F47-F122 HydrophobicContact CE2-CB 4.18Å; F47-F122 HydrophobicContact CE2-CD1 4.34Å; F47-F122 HydrophobicContact CE2-CG 4.14Å; F47-F122 HydrophobicContact CG-CD2 4.43Å; F47-I200 HydrophobicContact CB-CD1 3.9Å; F47-I200 HydrophobicContact CB-CG1 4.17Å; F47-I200 HydrophobicContact CD1-CD1 3.59Å; F47-I200 HydrophobicContact CD2-CD1 4.36Å; F47-I200 HydrophobicContact CE1-CD1 4.21Å; F47-I200 HydrophobicContact CG-CD1 3.68Å; F47-I200 HydrophobicContact CG-CG1 4.4Å; F47-L210 HydrophobicContact CE2-CD1 4.21Å; F47-V216 HydrophobicContact CE2-CG1 4.14Å; F47-V216 HydrophobicContact CZ-CG1 4.41Å; F47-L219 HydrophobicContact CE1-CD2 4.23Å; F47-L219 HydrophobicContact CE1-CG 4.02Å; F47-L219 HydrophobicContact CE2-CD2 3.86Å; F47-L219 HydrophobicContact CE2-CG 4.44Å; F47-L219 HydrophobicContact CZ-CB 4.33Å; F47-L219 HydrophobicContact CZ-CD2 3.61Å; F47-L219 HydrophobicContact CZ-CG 3.69Å; F47-F220 HydrophobicContact CE1-CB 4.36Å; F47-F220 HydrophobicContact CE1-CD2 4.3Å; F47-F220 HydrophobicContact CZ-CB 4.21Å; F47-V223 HydrophobicContact CD1-CB 4.43Å; F47-V223 HydrophobicContact CD1-CG1 4.2Å; F47-V223 HydrophobicContact CD1-CG2 4.15Å; F47-V223 HydrophobicContact CE1-CB 4.1Å; F47-V223 HydrophobicContact CE1-CG1 4.33Å; F47-V223 HydrophobicContact CE1-CG2 3.86Å
48F92.9Very high91.9Very high4 Ų422.3 Ų22.32%0.01815%0.151CC..Hα-helixtrans-73.7-34.4-171.1-177.6-116.7000113.4I44 T117 F220 V223 K224 M227I44-F48 WeakPolarHBondContact O-CB 3.38Å; I44-F48 PolarHBondContact O-N 3.42Å; F48-T117 HydrophobicContact CE1-CG2 4.19Å; F48-T117 HydrophobicContact CE2-CG2 4.14Å; F48-T117 HydrophobicContact CZ-CG2 3.94Å; F48-T117 VanDerWaalsContact O-CG2 3.23Å; F48-T117 WeakPolarHBondContact O-CG2 3.48Å; F48-F220 AromaticContact CD2-CD2 3.91Å; F48-F220 HydrophobicContact CD2-CD2 3.91Å; F48-F220 AromaticContact CD2-CE2 3.33Å; F48-F220 HydrophobicContact CD2-CE2 3.33Å; F48-F220 AromaticContact CD2-CZ 3.98Å; F48-F220 HydrophobicContact CD2-CZ 3.98Å; F48-F220 HydrophobicContact CE2-CD2 4.29Å; F48-F220 AromaticContact CE2-CE2 3.47Å; F48-F220 HydrophobicContact CE2-CE2 3.47Å; F48-F220 VanDerWaalsContact CE2-CE2 3.47Å; F48-F220 AromaticContact CE2-CZ 3.6Å; F48-F220 HydrophobicContact CE2-CZ 3.6Å; F48-F220 HydrophobicContact CG-CE2 4.42Å; F48-V223 HydrophobicContact CB-CG1 4Å; F48-V223 HydrophobicContact CD2-CG1 3.96Å; F48-V223 HydrophobicContact CG-CG1 4.17Å; F48-K224 HydrophobicContact CE2-CB 3.65Å; F48-K224 HydrophobicContact CE2-CD 4.26Å; F48-K224 HydrophobicContact CE2-CG 3.8Å; F48-K224 HydrophobicContact CZ-CB 4.27Å; F48-K224 HydrophobicContact CZ-CD 4.41Å; F48-K224 HydrophobicContact CZ-CG 3.95Å; F48-M227 HydrophobicContact CB-CE 4.44Å; F48-M227 HydrophobicContact CD1-CE 4.18Å; F48-M227 HydrophobicContact CD1-CG 3.8Å; F48-M227 HydrophobicContact CE1-CB 4.38Å; F48-M227 HydrophobicContact CE1-CG 3.71Å; F48-M227 HydrophobicContact CG-CE 4.49Å; F48-M227 HydrophobicContact CZ-CG 4.38Å
49W93Very high91.5Very high2 Ų224.6 Ų24.61%0.00816%0.163CC..Hα-helixtrans-106.17.9-177.6-83.4-66.5000114.8L38 V45 A51 S52 I53 A113 T117 F137 L140 M227 L231L38-W49 HydrophobicContact CD2-CZ3 4.43Å; V45-W49 HydrophobicContact CB-CE3 4.43Å; V45-W49 HydrophobicContact CG1-CE3 3.96Å; V45-W49 HydrophobicContact CG1-CZ3 4.45Å; V45-W49 HydrophobicContact CG2-CE3 4.45Å; V45-W49 HydrophobicContact CG2-CZ3 4.25Å; V45-W49 PolarHBondContact O-N 3.42Å; W49-A51 VanDerWaalsContact C-N 3.29Å; W49-A51 PolarHBondContact O-N 3.27Å; W49-S52 WeakPolarHBondContact O-CA 3.39Å; W49-S52 PolarHBondContact O-N 3.16Å; W49-S52 PolarHBondContact O-OG 3.49Å; W49-I53 HydrophobicContact CB-CD1 3.93Å; W49-I53 HydrophobicContact CB-CG1 3.92Å; W49-I53 PolarHBondContact O-N 2.76Å; W49-A113 HydrophobicContact CZ2-CB 4.4Å; W49-A113 PolarHBondContact NE1-O 3.09Å; W49-T117 PolarHBondContact NE1-OG1 3.4Å; W49-F137 HydrophobicContact CB-CB 4.25Å; W49-F137 HydrophobicContact CB-CD2 4.23Å; W49-F137 HydrophobicContact CG-CB 4.39Å; W49-F137 HydrophobicContact CG-CD2 4.47Å; W49-L140 HydrophobicContact CD2-CD2 3.95Å; W49-L140 HydrophobicContact CE3-CD2 3.73Å; W49-L140 HydrophobicContact CH2-CD1 3.64Å; W49-L140 HydrophobicContact CH2-CD2 3.84Å; W49-L140 HydrophobicContact CH2-CG 4.34Å; W49-L140 HydrophobicContact CZ2-CD1 3.8Å; W49-L140 HydrophobicContact CZ2-CD2 4.05Å; W49-L140 HydrophobicContact CZ2-CG 4.36Å; W49-L140 HydrophobicContact CZ3-CD1 4.28Å; W49-L140 HydrophobicContact CZ3-CD2 3.68Å; W49-M227 HydrophobicContact CH2-CG 4.15Å; W49-M227 HydrophobicContact CH2-SD 3.98Å; W49-M227 HydrophobicContact CZ3-CE 4.02Å; W49-M227 HydrophobicContact CZ3-SD 4.01Å; W49-L231 HydrophobicContact CH2-CD1 4.24Å; W49-L231 HydrophobicContact CZ2-CD1 4.48Å
50D89.7Confident91.3Very high22 Ų2227 Ų2712%0.11818%0.178CC..THydrogen-bonded Turntrans-44.8-45-167.5-167.153.3000115.1L46 S52 K61 F122L46-D50 VanDerWaalsContact O-CA 3.31Å; L46-D50 WeakPolarHBondContact O-CA 3.47Å; L46-D50 VanDerWaalsContact O-CB 3.23Å; L46-D50 WeakPolarHBondContact O-CB 3.2Å; L46-D50 PolarHBondContact O-N 3.17Å; L46-D50 VanDerWaalsContact O-N 3.16Å; D50-S52 PolarHBondContact O-N 3.22Å; D50-K61 PolarHBondContact O-NZ 3.07Å; D50-K61 VanDerWaalsContact OD1-CD 3.25Å; D50-K61 WeakPolarHBondContact OD1-CD 3.33Å; D50-K61 IonicContact OD1-NZ 3.52Å; D50-K61 PolarHBondContact OD1-NZ 3.04Å; D50-K61 IonicContact OD2-NZ 3.38Å; D50-K61 PolarHBondContact OD2-NZ 2.76Å; D50-F122 HydrophobicContact CB-CD2 4.07Å
51A86.4Confident91.1Very high23 Ų2328.3 Ų28.319%0.1918%0.184CC..THydrogen-bonded Turntrans-66.9-12.3-179.200000115.1W49 I129W49-A51 VanDerWaalsContact C-N 3.29Å; W49-A51 PolarHBondContact O-N 3.27Å; A51-I129 HydrophobicContact CB-CD1 4.02Å; A51-I129 HydrophobicContact CB-CG2 4.25Å
52S91.4Very high91Very high11 Ų1128.7 Ų28.78%0.07719%0.186CC..THydrogen-bonded Turntrans-120.7-13.9-175.562.70000114.4W49 D50 P54 H133 K134 F137W49-S52 WeakPolarHBondContact O-CA 3.39Å; W49-S52 PolarHBondContact O-N 3.16Å; W49-S52 PolarHBondContact O-OG 3.49Å; D50-S52 PolarHBondContact O-N 3.22Å; S52-P54 WeakPolarHBondContact O-CD 3.43Å; S52-H133 WeakPolarHBondContact CB-O 3.31Å; S52-K134 WeakPolarHBondContact CB-O 3.34Å; S52-F137 VanDerWaalsContact OG-CB 3.24Å; S52-F137 WeakPolarHBondContact OG-CB 3.44Å; S52-F137 PolarHBondContact OG-N 2.94Å
53I92.6Very high91.1Very high7 Ų730.1 Ų30.14%0.03619%0.193CC..SBendtrans-72.7124.3176.7-63160.6000108.5L46 W49 G55 K61 V65 F137L46-I53 HydrophobicContact CD2-CD1 4.21Å; W49-I53 HydrophobicContact CB-CD1 3.93Å; W49-I53 HydrophobicContact CB-CG1 3.92Å; W49-I53 PolarHBondContact O-N 2.76Å; I53-G55 PolarHBondContact O-N 3.29Å; I53-K61 HydrophobicContact CB-CB 4.36Å; I53-K61 HydrophobicContact CB-CD 4.28Å; I53-K61 HydrophobicContact CB-CG 4.2Å; I53-K61 HydrophobicContact CG2-CB 3.66Å; I53-K61 HydrophobicContact CG2-CD 4.44Å; I53-K61 HydrophobicContact CG2-CG 3.85Å; I53-V65 HydrophobicContact CD1-CG2 4.01Å; I53-F137 HydrophobicContact CB-CG 4.39Å; I53-F137 HydrophobicContact CD1-CD2 4.4Å; I53-F137 HydrophobicContact CG1-CB 4.03Å; I53-F137 HydrophobicContact CG1-CD1 4.33Å; I53-F137 HydrophobicContact CG1-CD2 3.54Å; I53-F137 HydrophobicContact CG1-CE2 4.04Å; I53-F137 HydrophobicContact CG1-CG 3.71Å
54P91.5Very high91.3Very high80 Ų8030.6 Ų30.652%0.51920%0.197SC..SBendtrans-68.8122178.825.1-30000110.8S52 S64S52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-S64 PolarHBondContact O-OG 3.29Å
55G87.8Confident91.4Very high32 Ų3230.6 Ų30.633%0.3320%0.197SC..  trans153.1137.7179.700000111.3I53 T60 K61I53-G55 PolarHBondContact O-N 3.29Å; G55-T60 VanDerWaalsContact CA-OG1 3.23Å; G55-T60 WeakPolarHBondContact CA-OG1 3.39Å; G55-K61 WeakPolarHBondContact O-CE 3.2Å
56S83.4Confident91.5Very high130 Ų13030.6 Ų30.691%0.90920%0.197SC*.SBendtrans-89.5-6.9175.854.60000113.3T60S56-T60 PolarHBondContact N-OG1 2.97Å
57S87.6Confident91.8Very high42 Ų4233 Ų3329%0.29421%0.205SC..SBendtrans-132.1157.2-179.865.80000111D59 T60 K61S57-D59 PolarHBondContact O-N 3.28Å; S57-T60 PolarHBondContact N-OG1 2.98Å; S57-T60 PolarHBondContact O-N 3.37Å; S57-T60 PolarHBondContact O-OG1 3.07Å; S57-T60 PolarHBondContact OG-N 3.28Å; S57-T60 PolarHBondContact OG-OG1 3.41Å; S57-K61 WeakPolarHBondContact O-CG 3.27Å; S57-K61 PolarHBondContact O-N 2.9Å
58V86Confident92.1Very high80 Ų8032.9 Ų32.949%0.48520%0.204SC..Hα-helixtrans-56.5-37.5174.4-178.60000110.8K61 T62V58-K61 PolarHBondContact O-N 3.01Å; V58-T62 WeakPolarHBondContact O-CB 3.36Å; V58-T62 PolarHBondContact O-N 2.77Å; V58-T62 PolarHBondContact O-OG1 2.98Å
59D89.4Confident92.4Very high48 Ų4832.7 Ų32.726%0.25720%0.203SC..Hα-helixtrans-58.6-50.9175.9-53.8-7.7000112.2S57 T62 I63 T541 H542S57-D59 PolarHBondContact O-N 3.28Å; D59-T62 WeakPolarHBondContact O-CB 3.47Å; D59-T62 PolarHBondContact O-N 3.22Å; D59-I63 WeakPolarHBondContact O-CG1 3.39Å; D59-I63 PolarHBondContact O-N 2.94Å; D59-T541 HydrophobicContact CB-CG2 4.23Å; D59-H542 IonicContact OD2-CE1 3.06Å; D59-H542 PolarHBondContact OD2-CE1 2.93Å; D59-H542 IonicContact OD2-ND1 2.84Å; D59-H542 PolarHBondContact OD2-ND1 3.26Å
60T92.1Very high92.6Very high50 Ų5032.6 Ų32.631%0.30720%0.203SC..Hα-helixtrans-69.9-37-179.247.90000111.6G55 S56 S57 T62 I63 S64G55-T60 VanDerWaalsContact CA-OG1 3.23Å; G55-T60 WeakPolarHBondContact CA-OG1 3.39Å; S56-T60 PolarHBondContact N-OG1 2.97Å; S57-T60 PolarHBondContact N-OG1 2.98Å; S57-T60 PolarHBondContact O-N 3.37Å; S57-T60 PolarHBondContact O-OG1 3.07Å; S57-T60 PolarHBondContact OG-N 3.28Å; S57-T60 PolarHBondContact OG-OG1 3.41Å; T60-T62 VanDerWaalsContact C-N 3.33Å; T60-T62 PolarHBondContact O-N 3.19Å; T60-I63 PolarHBondContact O-N 2.9Å; T60-S64 PolarHBondContact O-N 3.42Å; T60-S64 VanDerWaalsContact O-N 3.11Å; T60-S64 PolarHBondContact O-OG 3.49Å
61K93.4Very high93Very high30 Ų3032.5 Ų32.513%0.1320%0.202CC..Hα-helixtrans-64.1-36.4170.7-67-170.4-172.8-169.50112.3L46 D50 I53 G55 S57 V58 S64 V65L46-K61 HydrophobicContact CD2-CB 3.68Å; D50-K61 PolarHBondContact O-NZ 3.07Å; D50-K61 VanDerWaalsContact OD1-CD 3.25Å; D50-K61 WeakPolarHBondContact OD1-CD 3.33Å; D50-K61 IonicContact OD1-NZ 3.52Å; D50-K61 PolarHBondContact OD1-NZ 3.04Å; D50-K61 IonicContact OD2-NZ 3.38Å; D50-K61 PolarHBondContact OD2-NZ 2.76Å; I53-K61 HydrophobicContact CB-CB 4.36Å; I53-K61 HydrophobicContact CB-CD 4.28Å; I53-K61 HydrophobicContact CB-CG 4.2Å; I53-K61 HydrophobicContact CG2-CB 3.66Å; I53-K61 HydrophobicContact CG2-CD 4.44Å; I53-K61 HydrophobicContact CG2-CG 3.85Å; G55-K61 WeakPolarHBondContact O-CE 3.2Å; S57-K61 WeakPolarHBondContact O-CG 3.27Å; S57-K61 PolarHBondContact O-N 2.9Å; V58-K61 PolarHBondContact O-N 3.01Å; K61-S64 WeakPolarHBondContact O-CB 3.34Å; K61-S64 PolarHBondContact O-N 3.41Å; K61-V65 WeakPolarHBondContact O-CG2 3.33Å; K61-V65 PolarHBondContact O-N 3.47Å
62T94Very high93.6Very high9 Ų931.4 Ų31.46%0.05519%0.193CC..Hα-helixtrans-63.7-46.1175.9-590000111.2V58 D59 T60 S64 V65 D66 T537 R540 T541V58-T62 WeakPolarHBondContact O-CB 3.36Å; V58-T62 PolarHBondContact O-N 2.77Å; V58-T62 PolarHBondContact O-OG1 2.98Å; D59-T62 WeakPolarHBondContact O-CB 3.47Å; D59-T62 PolarHBondContact O-N 3.22Å; T60-T62 VanDerWaalsContact C-N 3.33Å; T60-T62 PolarHBondContact O-N 3.19Å; T62-S64 VanDerWaalsContact C-N 3.26Å; T62-S64 PolarHBondContact O-N 2.91Å; T62-V65 PolarHBondContact O-N 3.24Å; T62-V65 VanDerWaalsContact O-N 3.09Å; T62-D66 PolarHBondContact O-N 3.38Å; T62-T537 HydrophobicContact CG2-CG2 4.22Å; T62-R540 VanDerWaalsContact CG2-NH2 3.3Å; T62-T541 HydrophobicContact CG2-CG2 4.13Å
63I95.3Very high93.9Very high32 Ų3230.9 Ų30.916%0.16419%0.19CC..Hα-helixtrans-56.9-42.4173.8-64.9164.7000110.7D59 T60 V65 D66 W67 T537 P538D59-I63 WeakPolarHBondContact O-CG1 3.39Å; D59-I63 PolarHBondContact O-N 2.94Å; T60-I63 PolarHBondContact O-N 2.9Å; I63-V65 PolarHBondContact O-N 2.85Å; I63-D66 PolarHBondContact O-N 2.8Å; I63-W67 VanDerWaalsContact O-CD1 3.23Å; I63-W67 PolarHBondContact O-N 2.72Å; I63-T537 HydrophobicContact CB-CG2 4.35Å; I63-T537 HydrophobicContact CG1-CG2 3.56Å; I63-P538 HydrophobicContact CD1-CB 4.21Å
64S96.4Very high94.1Very high18 Ų1834.2 Ų34.213%0.12621%0.207CC..Hα-helixtrans-63.4-36.7175.9-65.90000113.2P54 T60 K61 T62 W67 F137P54-S64 PolarHBondContact O-OG 3.29Å; T60-S64 PolarHBondContact O-N 3.42Å; T60-S64 VanDerWaalsContact O-N 3.11Å; T60-S64 PolarHBondContact O-OG 3.49Å; K61-S64 WeakPolarHBondContact O-CB 3.34Å; K61-S64 PolarHBondContact O-N 3.41Å; T62-S64 VanDerWaalsContact C-N 3.26Å; T62-S64 PolarHBondContact O-N 2.91Å; S64-W67 WeakPolarHBondContact O-CB 3.41Å; S64-W67 PolarHBondContact O-N 3.34Å; S64-F137 VanDerWaalsContact O-CZ 3.25Å; S64-F137 WeakPolarHBondContact O-CZ 3.22Å
65V97.2Very high94.4Very high0 Ų031.1 Ų31.10%019%0.187CC..Hα-helixtrans-69.1-40.1172.2171.70000111.7N39 V45 L46 I53 K61 T62 I63 W67 L68 F137N39-V65 PolarHBondContact ND2-O 3.04Å; V45-V65 HydrophobicContact CB-CG1 4.35Å; V45-V65 HydrophobicContact CG1-CB 4.48Å; V45-V65 HydrophobicContact CG1-CG1 3.91Å; V45-V65 HydrophobicContact CG1-CG2 3.74Å; L46-V65 HydrophobicContact CD2-CG2 3.94Å; L46-V65 HydrophobicContact CG-CG2 4.14Å; I53-V65 HydrophobicContact CD1-CG2 4.01Å; K61-V65 WeakPolarHBondContact O-CG2 3.33Å; K61-V65 PolarHBondContact O-N 3.47Å; T62-V65 PolarHBondContact O-N 3.24Å; T62-V65 VanDerWaalsContact O-N 3.09Å; I63-V65 PolarHBondContact O-N 2.85Å; V65-W67 PolarHBondContact O-N 3.26Å; V65-L68 HydrophobicContact CG1-CD1 4.42Å; V65-L68 VanDerWaalsContact O-CB 3.27Å; V65-L68 WeakPolarHBondContact O-CB 3.24Å; V65-L68 WeakPolarHBondContact O-CG 3.32Å; V65-L68 PolarHBondContact O-N 3.09Å; V65-F137 HydrophobicContact CG2-CE2 4.23Å
66D97.7Very high94.8Very high0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-66.6-19.8176.4-70.6-34.2000112.6N39 T62 I63 L68 S69 M70 L410 I533 T537 R540N39-D66 WeakPolarHBondContact ND2-CA 3.45Å; N39-D66 PolarHBondContact ND2-OD1 3.33Å; T62-D66 PolarHBondContact O-N 3.38Å; I63-D66 PolarHBondContact O-N 2.8Å; D66-L68 PolarHBondContact O-N 3.44Å; D66-S69 PolarHBondContact O-N 3.33Å; D66-M70 HydrophobicContact CB-CE 4.22Å; D66-M70 PolarHBondContact O-N 3.44Å; D66-L410 HydrophobicContact CB-CD2 4.38Å; D66-L410 WeakPolarHBondContact OD2-CD2 3.38Å; D66-I533 HydrophobicContact CB-CG2 4.11Å; D66-T537 HydrophobicContact CB-CG2 4.42Å; D66-T537 VanDerWaalsContact OD2-CG2 3.25Å; D66-T537 WeakPolarHBondContact OD2-CG2 3.47Å; D66-R540 IonicContact OD2-NH2 2.73Å; D66-R540 PolarHBondContact OD2-NH2 2.85Å; D66-R540 VanDerWaalsContact OD2-NH2 3.15Å
67W98Very high95.4Very high71 Ų7125.5 Ų25.527%0.26914%0.138SC..Hα-helixtrans-63.5-20.8166.9-88102.5000114.9I63 S64 V65 S69 M70 I71 L74 M141 L530 H534I63-W67 VanDerWaalsContact O-CD1 3.23Å; I63-W67 PolarHBondContact O-N 2.72Å; S64-W67 WeakPolarHBondContact O-CB 3.41Å; S64-W67 PolarHBondContact O-N 3.34Å; V65-W67 PolarHBondContact O-N 3.26Å; W67-S69 PolarHBondContact O-N 3.35Å; W67-M70 HydrophobicContact CB-CE 4.32Å; W67-M70 HydrophobicContact CD2-CB 4.23Å; W67-M70 HydrophobicContact CD2-CE 3.91Å; W67-M70 HydrophobicContact CE3-CB 3.74Å; W67-M70 HydrophobicContact CG-CE 3.74Å; W67-M70 HydrophobicContact CZ3-CB 4.12Å; W67-M70 PolarHBondContact O-N 3.25Å; W67-I71 WeakPolarHBondContact O-CB 3.47Å; W67-I71 WeakPolarHBondContact O-CG2 3.32Å; W67-I71 PolarHBondContact O-N 3.25Å; W67-L74 HydrophobicContact CH2-CD2 4.28Å; W67-L74 HydrophobicContact CZ3-CD2 3.81Å; W67-M141 HydrophobicContact CB-CE 3.81Å; W67-L530 HydrophobicContact CH2-CD1 4.21Å; W67-L530 HydrophobicContact CZ3-CD1 4.17Å; W67-H534 AromaticContact CZ2-CE1 3.86Å; W67-H534 AromaticContact CZ2-ND1 3.75Å; W67-H534 AromaticContact NE1-ND1 3.98Å
68L98.4Very high95.7Very high0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-63.4-30.8174.9-66.2169.1000112.1L38 V45 V65 D66 I71 F137 L140 M141 Q144L38-L68 HydrophobicContact CB-CD1 3.87Å; L38-L68 HydrophobicContact CD1-CD1 4.05Å; L38-L68 HydrophobicContact CD1-CD2 4.47Å; V45-L68 HydrophobicContact CG1-CD1 4.27Å; V65-L68 HydrophobicContact CG1-CD1 4.42Å; V65-L68 VanDerWaalsContact O-CB 3.27Å; V65-L68 WeakPolarHBondContact O-CB 3.24Å; V65-L68 WeakPolarHBondContact O-CG 3.32Å; V65-L68 PolarHBondContact O-N 3.09Å; D66-L68 PolarHBondContact O-N 3.44Å; L68-I71 WeakPolarHBondContact O-CG2 3.28Å; L68-F137 HydrophobicContact CD1-CE2 3.96Å; L68-F137 HydrophobicContact CD1-CZ 4.33Å; L68-F137 HydrophobicContact CD2-CE2 4.33Å; L68-F137 HydrophobicContact CD2-CZ 4.24Å; L68-F137 HydrophobicContact CG-CE2 4.23Å; L68-F137 HydrophobicContact CG-CZ 4.12Å; L68-L140 HydrophobicContact CD1-CD2 4.09Å; L68-L140 HydrophobicContact CD2-CD2 4.16Å; L68-L140 HydrophobicContact CD2-CG 4.23Å; L68-M141 HydrophobicContact CD2-CE 3.6Å; L68-M141 HydrophobicContact CD2-SD 4Å; L68-M141 HydrophobicContact CG-CE 3.92Å; L68-Q144 HydrophobicContact CB-CG 4.15Å; L68-Q144 HydrophobicContact CD2-CB 3.93Å; L68-Q144 HydrophobicContact CD2-CG 3.85Å; L68-Q144 WeakPolarHBondContact O-CG 3.41Å; L68-Q144 PolarHBondContact O-NE2 3.49Å
69S98.2Very high96.1Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-82.7-48170.3176.20000111.2W35 N39 D66 W67 I71 Y72 T409W35-S69 PolarHBondContact NE1-OG 2.84Å; N39-S69 PolarHBondContact OD1-N 2.87Å; D66-S69 PolarHBondContact O-N 3.33Å; W67-S69 PolarHBondContact O-N 3.35Å; S69-I71 VanDerWaalsContact C-N 3.26Å; S69-I71 PolarHBondContact O-N 3.45Å; S69-Y72 WeakPolarHBondContact O-CB 3.36Å; S69-Y72 PolarHBondContact O-N 3.19Å; S69-T409 WeakPolarHBondContact CB-OG1 3.47Å; S69-T409 PolarHBondContact OG-OG1 3.04Å
70M98.3Very high96.1Very high0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-61.5-28.8-176-67.5-174-84.100114D66 W67 Y72 M73 L74 L530 I533 H534D66-M70 HydrophobicContact CB-CE 4.22Å; D66-M70 PolarHBondContact O-N 3.44Å; W67-M70 HydrophobicContact CB-CE 4.32Å; W67-M70 HydrophobicContact CD2-CB 4.23Å; W67-M70 HydrophobicContact CD2-CE 3.91Å; W67-M70 HydrophobicContact CE3-CB 3.74Å; W67-M70 HydrophobicContact CG-CE 3.74Å; W67-M70 HydrophobicContact CZ3-CB 4.12Å; W67-M70 PolarHBondContact O-N 3.25Å; M70-Y72 VanDerWaalsContact C-N 3.27Å; M70-Y72 PolarHBondContact O-N 3.48Å; M70-M73 WeakPolarHBondContact O-CB 3.31Å; M70-M73 PolarHBondContact O-N 2.96Å; M70-L74 PolarHBondContact O-N 2.95Å; M70-L530 HydrophobicContact CB-CD1 3.69Å; M70-L530 HydrophobicContact CG-CD1 4.07Å; M70-L530 HydrophobicContact SD-CD1 4.1Å; M70-I533 HydrophobicContact CE-CG2 3.86Å; M70-I533 HydrophobicContact CG-CB 3.85Å; M70-I533 HydrophobicContact CG-CD1 4.16Å; M70-I533 HydrophobicContact CG-CG2 3.64Å; M70-I533 HydrophobicContact SD-CB 3.85Å; M70-I533 HydrophobicContact SD-CG2 3.61Å; M70-H534 HydrophobicContact SD-CB 3.81Å
71I98.2Very high95.8Very high20 Ų2026.7 Ų26.710%0.10314%0.136CC..Hα-helixtrans-65.9-27.4-180-165.957.1000113.2W67 L68 S69 L74 T75 M141 Q144 T145W67-I71 WeakPolarHBondContact O-CB 3.47Å; W67-I71 WeakPolarHBondContact O-CG2 3.32Å; W67-I71 PolarHBondContact O-N 3.25Å; L68-I71 WeakPolarHBondContact O-CG2 3.28Å; S69-I71 VanDerWaalsContact C-N 3.26Å; S69-I71 PolarHBondContact O-N 3.45Å; I71-L74 HydrophobicContact CD1-CD2 4.13Å; I71-T75 HydrophobicContact CD1-CG2 4.3Å; I71-T75 HydrophobicContact CG1-CG2 4.43Å; I71-T75 WeakPolarHBondContact O-CB 3.36Å; I71-T75 WeakPolarHBondContact O-CG2 3.37Å; I71-T75 PolarHBondContact O-N 3.49Å; I71-T75 PolarHBondContact O-OG1 3.12Å; I71-M141 HydrophobicContact CB-SD 4.33Å; I71-M141 HydrophobicContact CG2-SD 4.14Å; I71-Q144 HydrophobicContact CG2-CB 4.26Å; I71-Q144 HydrophobicContact CG2-CG 3.64Å; I71-T145 HydrophobicContact CD1-CG2 4.43Å; I71-T145 HydrophobicContact CG1-CG2 4.17Å; I71-T145 WeakPolarHBondContact CG1-OG1 3.05Å
72Y98.1Very high95.7Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-63.4-45.1170-89.9-118.6000110.9N31 Q34 W35 S69 M70 T75 Y76 Q144 C147 Q151N31-Y72 PolarHBondContact O-OH 3.22Å; Q34-Y72 WeakPolarHBondContact CB-OH 3.36Å; W35-Y72 HydrophobicContact CB-CD1 3.84Å; W35-Y72 HydrophobicContact CB-CE1 3.59Å; W35-Y72 HydrophobicContact CB-CE2 4.33Å; W35-Y72 HydrophobicContact CB-CG 4.29Å; W35-Y72 AromaticContact CD1-CG 3.75Å; W35-Y72 HydrophobicContact CG-CD1 4.1Å; W35-Y72 HydrophobicContact CG-CE1 4.34Å; W35-Y72 HydrophobicContact CG-CG 4.26Å; W35-Y72 PolarHBondContact N-OH 2.85Å; W35-Y72 VanDerWaalsContact N-OH 3.12Å; S69-Y72 WeakPolarHBondContact O-CB 3.36Å; S69-Y72 PolarHBondContact O-N 3.19Å; M70-Y72 VanDerWaalsContact C-N 3.27Å; M70-Y72 PolarHBondContact O-N 3.48Å; Y72-T75 PolarHBondContact O-N 3.44Å; Y72-T75 PolarHBondContact O-OG1 2.94Å; Y72-T75 VanDerWaalsContact O-OG1 3.08Å; Y72-Y76 WeakPolarHBondContact O-CB 3.45Å; Y72-Y76 PolarHBondContact O-N 3.08Å; Y72-Q144 HydrophobicContact CD2-CG 4.45Å; Y72-Q144 HydrophobicContact CE2-CG 4.14Å; Y72-C147 HydrophobicContact CE2-CB 4.07Å; Y72-C147 WeakPolarHBondContact OH-CB 3.49Å; Y72-Q151 HydrophobicContact CD1-CB 3.95Å; Y72-Q151 HydrophobicContact CD1-CG 4.27Å; Y72-Q151 HydrophobicContact CE1-CB 4.22Å
73M97.7Very high95.5Very high0 Ų028.6 Ų28.60%015%0.152CC..Hα-helixtrans-66.1-47.1-178.6-42.4-171.7179.300110.6W35 M70 T75 Y76 I77 Y405 Q526 L530 I533W35-M73 HydrophobicContact CZ2-CE 3.96Å; M70-M73 WeakPolarHBondContact O-CB 3.31Å; M70-M73 PolarHBondContact O-N 2.96Å; M73-T75 VanDerWaalsContact C-N 3.34Å; M73-T75 PolarHBondContact O-N 2.96Å; M73-Y76 PolarHBondContact O-N 2.73Å; M73-I77 VanDerWaalsContact O-CD1 3.32Å; M73-I77 WeakPolarHBondContact O-CD1 3.38Å; M73-I77 VanDerWaalsContact O-CG1 3.28Å; M73-I77 WeakPolarHBondContact O-CG1 3.39Å; M73-I77 PolarHBondContact O-N 3.01Å; M73-Y405 HydrophobicContact CE-CD2 3.88Å; M73-Y405 HydrophobicContact CE-CG 4.16Å; M73-Y405 HydrophobicContact SD-CD2 4.3Å; M73-Q526 HydrophobicContact CB-CB 4.2Å; M73-Q526 VanDerWaalsContact CG-OE1 3.26Å; M73-L530 HydrophobicContact CB-CB 4.11Å; M73-L530 HydrophobicContact SD-CB 4.46Å; M73-L530 PolarHBondContact SD-N 3.34Å; M73-I533 HydrophobicContact CE-CD1 3.53Å; M73-I533 HydrophobicContact SD-CD1 4.04Å
74L98Very high95Very high76 Ų7630 Ų3040%0.39816%0.159SC..Hα-helixtrans-62-37.3176.318060.7000112.8W67 M70 I71 P78 L530W67-L74 HydrophobicContact CH2-CD2 4.28Å; W67-L74 HydrophobicContact CZ3-CD2 3.81Å; M70-L74 PolarHBondContact O-N 2.95Å; I71-L74 HydrophobicContact CD1-CD2 4.13Å; L74-P78 WeakPolarHBondContact O-CD 3.32Å; L74-L530 HydrophobicContact CB-CD2 4.3Å; L74-L530 HydrophobicContact CD1-CD2 4.26Å
75T97.4Very high94.5Very high15 Ų1536.2 Ų36.29%0.09218%0.18CC..Hα-helixtrans-76.6-33.9177.448.90000112.6I71 Y72 M73 P78 L79 T145 G148 I149I71-T75 HydrophobicContact CD1-CG2 4.3Å; I71-T75 HydrophobicContact CG1-CG2 4.43Å; I71-T75 WeakPolarHBondContact O-CB 3.36Å; I71-T75 WeakPolarHBondContact O-CG2 3.37Å; I71-T75 PolarHBondContact O-N 3.49Å; I71-T75 PolarHBondContact O-OG1 3.12Å; Y72-T75 PolarHBondContact O-N 3.44Å; Y72-T75 PolarHBondContact O-OG1 2.94Å; Y72-T75 VanDerWaalsContact O-OG1 3.08Å; M73-T75 VanDerWaalsContact C-N 3.34Å; M73-T75 PolarHBondContact O-N 2.96Å; T75-P78 WeakPolarHBondContact O-CD 3.11Å; T75-L79 WeakPolarHBondContact O-CB 3.48Å; T75-L79 WeakPolarHBondContact O-CD1 3.43Å; T75-L79 VanDerWaalsContact O-CG 3.22Å; T75-L79 WeakPolarHBondContact O-CG 3.07Å; T75-L79 PolarHBondContact O-N 3.36Å; T75-T145 HydrophobicContact CG2-CG2 4.05Å; T75-G148 WeakPolarHBondContact OG1-CA 3.25Å; T75-G148 PolarHBondContact OG1-O 3.11Å; T75-I149 HydrophobicContact CG2-CG1 4.02Å
76Y96.3Very high94.1Very high2 Ų237.8 Ų37.81%0.00819%0.188CC..Hα-helixtrans-60.8-48.9177.3-173.5-79.7000112.7Y72 M73 L79 I80 Q151 L155 N522 Q526Y72-Y76 WeakPolarHBondContact O-CB 3.45Å; Y72-Y76 PolarHBondContact O-N 3.08Å; M73-Y76 PolarHBondContact O-N 2.73Å; Y76-L79 PolarHBondContact O-N 2.97Å; Y76-L79 VanDerWaalsContact O-N 3.14Å; Y76-I80 HydrophobicContact CD1-CB 4.21Å; Y76-I80 HydrophobicContact CE1-CB 3.88Å; Y76-I80 HydrophobicContact CE1-CD1 4.13Å; Y76-I80 HydrophobicContact CE1-CG1 3.86Å; Y76-I80 HydrophobicContact CE1-CG2 4.39Å; Y76-I80 HydrophobicContact CE2-CD1 4.18Å; Y76-I80 WeakPolarHBondContact O-CB 3.49Å; Y76-I80 PolarHBondContact O-N 3.22Å; Y76-I80 WeakPolarHBondContact OH-CD1 3.21Å; Y76-Q151 HydrophobicContact CD2-CG 4.42Å; Y76-L155 HydrophobicContact CD2-CD2 4.45Å; Y76-L155 HydrophobicContact CE2-CB 3.93Å; Y76-L155 HydrophobicContact CE2-CD2 3.73Å; Y76-L155 HydrophobicContact CE2-CG 4.5Å; Y76-N522 HydrophobicContact CE1-CB 4.43Å; Y76-N522 WeakPolarHBondContact OH-CB 3.41Å; Y76-Q526 HydrophobicContact CD1-CB 4.38Å; Y76-Q526 HydrophobicContact CD1-CG 3.66Å; Y76-Q526 HydrophobicContact CE1-CG 4.21Å; Y76-Q526 HydrophobicContact CG-CG 3.83Å
77I95.2Very high93.6Very high42 Ų4238.3 Ų38.322%0.21519%0.191CC..Hα-helixtrans-53.2-49.2-170.1-66.8158.5000113.7M73 I80 Q526 I527 L530M73-I77 VanDerWaalsContact O-CD1 3.32Å; M73-I77 WeakPolarHBondContact O-CD1 3.38Å; M73-I77 VanDerWaalsContact O-CG1 3.28Å; M73-I77 WeakPolarHBondContact O-CG1 3.39Å; M73-I77 PolarHBondContact O-N 3.01Å; I77-I80 WeakPolarHBondContact O-CG2 3.49Å; I77-Q526 HydrophobicContact CD1-CB 4.25Å; I77-Q526 HydrophobicContact CG1-CB 3.91Å; I77-I527 HydrophobicContact CD1-CB 4.41Å; I77-I527 HydrophobicContact CD1-CG1 3.65Å; I77-I527 HydrophobicContact CG1-CG1 3.92Å; I77-I527 HydrophobicContact CG2-CG1 4.38Å; I77-L530 HydrophobicContact CD1-CD2 4.26Å
78P94Very high92.8Very high76 Ų7640.9 Ų40.949%0.49421%0.21SC..Hα-helixtrans-80.3-33.7174.229.6-33000113.3L74 T75 P82L74-P78 WeakPolarHBondContact O-CD 3.32Å; T75-P78 WeakPolarHBondContact O-CD 3.11Å; P78-P82 VanDerWaalsContact O-CD 3.23Å; P78-P82 WeakPolarHBondContact O-CD 3.39Å
79L94.7Very high92.2Very high49 Ų4949.5 Ų49.526%0.25724%0.242SC..Hα-helixtrans-83.8-12.5-169.7-61.7174.5000114.5T75 Y76 F81 P82 S83 I149T75-L79 WeakPolarHBondContact O-CB 3.48Å; T75-L79 WeakPolarHBondContact O-CD1 3.43Å; T75-L79 VanDerWaalsContact O-CG 3.22Å; T75-L79 WeakPolarHBondContact O-CG 3.07Å; T75-L79 PolarHBondContact O-N 3.36Å; Y76-L79 PolarHBondContact O-N 2.97Å; Y76-L79 VanDerWaalsContact O-N 3.14Å; L79-F81 PolarHBondContact O-N 2.92Å; L79-P82 HydrophobicContact CD2-CG 4.36Å; L79-P82 WeakPolarHBondContact O-CD 3.27Å; L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 2.93Å; L79-S83 PolarHBondContact O-OG 3.45Å; L79-I149 HydrophobicContact CD1-CB 4.12Å; L79-I149 HydrophobicContact CD1-CG1 3.71Å; L79-I149 HydrophobicContact CD1-CG2 4.01Å
80I89.6Confident91.7Very high8 Ų856.4 Ų56.44%0.04127%0.269CS..Hα-helixtrans-59.2-29.9173.3-168.854.3000112.6Y76 I77 N84Y76-I80 HydrophobicContact CD1-CB 4.21Å; Y76-I80 HydrophobicContact CE1-CB 3.88Å; Y76-I80 HydrophobicContact CE1-CD1 4.13Å; Y76-I80 HydrophobicContact CE1-CG1 3.86Å; Y76-I80 HydrophobicContact CE1-CG2 4.39Å; Y76-I80 HydrophobicContact CE2-CD1 4.18Å; Y76-I80 WeakPolarHBondContact O-CB 3.49Å; Y76-I80 PolarHBondContact O-N 3.22Å; Y76-I80 WeakPolarHBondContact OH-CD1 3.21Å; I77-I80 WeakPolarHBondContact O-CG2 3.49Å; I80-N84 WeakPolarHBondContact CD1-ND2 3.32Å; I80-N84 VanDerWaalsContact O-CB 3.31Å; I80-N84 WeakPolarHBondContact O-CB 3.24Å; I80-N84 PolarHBondContact O-N 3.32Å; I80-N84 VanDerWaalsContact O-N 3.1Å; I80-N84 PolarHBondContact O-ND2 2.91Å
81F86.7Confident91.1Very high113 Ų11357.4 Ų57.450%0.49628%0.279SS..Hα-helixtrans-74.3-52.8175.9-54.9-85.4000112.3L79 S83 N84 W85L79-F81 PolarHBondContact O-N 2.92Å; F81-S83 PolarHBondContact O-N 3.22Å; F81-N84 PolarHBondContact O-N 3.2Å; F81-W85 PolarHBondContact O-N 3.28Å
82P90.6Very high90.6Very high61 Ų6156.5 Ų56.540%0.39628%0.275SS..Hα-helixtrans-51.6-46.4167.9-29.934.5000114.5P78 L79 N84 W85 I86P78-P82 VanDerWaalsContact O-CD 3.23Å; P78-P82 WeakPolarHBondContact O-CD 3.39Å; L79-P82 HydrophobicContact CD2-CG 4.36Å; L79-P82 WeakPolarHBondContact O-CD 3.27Å; P82-N84 PolarHBondContact O-N 3.05Å; P82-W85 WeakPolarHBondContact O-CB 3.23Å; P82-W85 PolarHBondContact O-N 3.1Å; P82-W85 VanDerWaalsContact O-N 3.12Å; P82-I86 WeakPolarHBondContact O-CG1 3.38Å; P82-I86 PolarHBondContact O-N 3.17Å
83S90.4Very high90.4Very high18 Ų1860.3 Ų60.313%0.12629%0.289CS..Hα-helixtrans-67.6-36.4-177.2-72.80000112.6L79 F81 I86 L87 S152L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 2.93Å; L79-S83 PolarHBondContact O-OG 3.45Å; F81-S83 PolarHBondContact O-N 3.22Å; S83-I86 PolarHBondContact O-N 3.11Å; S83-L87 WeakPolarHBondContact O-CB 3.26Å; S83-L87 PolarHBondContact O-N 2.9Å; S83-S152 VanDerWaalsContact CB-O 3.26Å; S83-S152 WeakPolarHBondContact CB-O 3.4Å; S83-S152 PolarHBondContact OG-OG 2.92Å
84N83.7Confident90.2Very high61 Ų6162.9 Ų62.933%0.32630%0.304SS..Hα-helixtrans-68.8-34.8169.2-81.6-54.7000112.9I80 F81 P82 L87 N88I80-N84 WeakPolarHBondContact CD1-ND2 3.32Å; I80-N84 VanDerWaalsContact O-CB 3.31Å; I80-N84 WeakPolarHBondContact O-CB 3.24Å; I80-N84 PolarHBondContact O-N 3.32Å; I80-N84 VanDerWaalsContact O-N 3.1Å; I80-N84 PolarHBondContact O-ND2 2.91Å; F81-N84 PolarHBondContact O-N 3.2Å; P82-N84 PolarHBondContact O-N 3.05Å; N84-L87 PolarHBondContact O-N 2.87Å; N84-N88 WeakPolarHBondContact O-CB 3.31Å; N84-N88 PolarHBondContact O-N 3.29Å; N84-N88 PolarHBondContact O-ND2 2.97Å
85W85.9Confident89.9Confident148 Ų14859.6 Ų59.656%0.56129%0.287SS*.Hα-helixtrans-63.9-44.8172.8179.291.5000111.3F81 P82 L87 N88 R89 W90F81-W85 PolarHBondContact O-N 3.28Å; P82-W85 WeakPolarHBondContact O-CB 3.23Å; P82-W85 PolarHBondContact O-N 3.1Å; P82-W85 VanDerWaalsContact O-N 3.12Å; W85-L87 PolarHBondContact O-N 3.07Å; W85-N88 PolarHBondContact O-N 3.28Å; W85-R89 HydrophobicContact CD2-CB 4.39Å; W85-R89 HydrophobicContact CH2-CG 4.21Å; W85-R89 HydrophobicContact CZ2-CB 4.42Å; W85-R89 HydrophobicContact CZ2-CG 4Å; W85-R89 WeakPolarHBondContact O-CB 3.4Å; W85-R89 PolarHBondContact O-N 3.08Å; W85-W90 HydrophobicContact CH2-CH2 4.35Å; W85-W90 HydrophobicContact CH2-CZ2 4.06Å; W85-W90 AromaticContact CZ3-CH2 3.98Å; W85-W90 HydrophobicContact CZ3-CH2 3.98Å; W85-W90 HydrophobicContact CZ3-CZ2 4.08Å; W85-W90 HydrophobicContact CZ3-CZ3 4.34Å
86I89.6Confident89.8Confident34 Ų3458.9 Ų58.917%0.17428%0.283CS..Hα-helixtrans-58.6-48174.2-70.2172.8000110.6P82 S83 N88 R89 W90 G91 T95P82-I86 WeakPolarHBondContact O-CG1 3.38Å; P82-I86 PolarHBondContact O-N 3.17Å; S83-I86 PolarHBondContact O-N 3.11Å; I86-N88 PolarHBondContact O-N 3.48Å; I86-R89 PolarHBondContact O-N 3.22Å; I86-W90 HydrophobicContact CG1-CE3 4.25Å; I86-W90 HydrophobicContact CG1-CZ3 4.14Å; I86-W90 HydrophobicContact CG2-CE3 3.97Å; I86-W90 PolarHBondContact O-N 2.88Å; I86-G91 PolarHBondContact O-N 2.68Å; I86-T95 HydrophobicContact CG2-CG2 4.36Å
87L86.2Confident89.8Confident11 Ų1160.1 Ų60.16%0.05829%0.29CS..Hα-helixtrans-59.2-44.2178.1-176.761.8000112.6S83 N84 W85 G91 L92 T95 H160S83-L87 WeakPolarHBondContact O-CB 3.26Å; S83-L87 PolarHBondContact O-N 2.9Å; N84-L87 PolarHBondContact O-N 2.87Å; W85-L87 PolarHBondContact O-N 3.07Å; L87-G91 WeakPolarHBondContact O-CA 3.39Å; L87-G91 PolarHBondContact O-N 2.94Å; L87-G91 VanDerWaalsContact O-N 3.09Å; L87-L92 HydrophobicContact CD1-CB 4.48Å; L87-T95 WeakPolarHBondContact CA-OG1 3.4Å; L87-T95 HydrophobicContact CB-CG2 4.35Å; L87-T95 PolarHBondContact N-OG1 3.33Å; L87-H160 HydrophobicContact CD2-CB 4.43Å
88N82.2Confident89.8Confident125 Ų12561.3 Ų61.367%0.66830%0.299SS*.Hα-helixtrans-76.9-27.7179.8-70.9-45.2000113.6N84 W85 I86N84-N88 WeakPolarHBondContact O-CB 3.31Å; N84-N88 PolarHBondContact O-N 3.29Å; N84-N88 PolarHBondContact O-ND2 2.97Å; W85-N88 PolarHBondContact O-N 3.28Å; I86-N88 PolarHBondContact O-N 3.48Å
89R85.6Confident90Very high180 Ų18057.9 Ų57.968%0.67928%0.276SS*.Hα-helixtrans-92.8-37.2-175.3-174.458.8175.9-170.80.2114W85 I86W85-R89 HydrophobicContact CD2-CB 4.39Å; W85-R89 HydrophobicContact CH2-CG 4.21Å; W85-R89 HydrophobicContact CZ2-CB 4.42Å; W85-R89 HydrophobicContact CZ2-CG 4Å; W85-R89 WeakPolarHBondContact O-CB 3.4Å; W85-R89 PolarHBondContact O-N 3.08Å; I86-R89 PolarHBondContact O-N 3.22Å
90W86.6Confident90Very high145 Ų14555.7 Ų55.755%0.54927%0.265SS..Hα-helixtrans-118.9-11.2-176.2-61.8-31.7000113.7W85 I86 V94W85-W90 HydrophobicContact CH2-CH2 4.35Å; W85-W90 HydrophobicContact CH2-CZ2 4.06Å; W85-W90 AromaticContact CZ3-CH2 3.98Å; W85-W90 HydrophobicContact CZ3-CH2 3.98Å; W85-W90 HydrophobicContact CZ3-CZ2 4.08Å; W85-W90 HydrophobicContact CZ3-CZ3 4.34Å; I86-W90 HydrophobicContact CG1-CE3 4.25Å; I86-W90 HydrophobicContact CG1-CZ3 4.14Å; I86-W90 HydrophobicContact CG2-CE3 3.97Å; I86-W90 PolarHBondContact O-N 2.88Å; W90-V94 HydrophobicContact CB-CB 3.77Å; W90-V94 HydrophobicContact CB-CG1 3.88Å; W90-V94 HydrophobicContact CB-CG2 3.96Å; W90-V94 HydrophobicContact CD2-CG1 4.42Å; W90-V94 HydrophobicContact CE3-CG1 3.9Å; W90-V94 HydrophobicContact CG-CG1 4.46Å
91G86.8Confident90.4Very high21 Ų2156.7 Ų56.722%0.21628%0.275CS..  trans82.4161.2170.800000114.9I86 L87 R93 V94 T95I86-G91 PolarHBondContact O-N 2.68Å; L87-G91 WeakPolarHBondContact O-CA 3.39Å; L87-G91 PolarHBondContact O-N 2.94Å; L87-G91 VanDerWaalsContact O-N 3.09Å; G91-R93 VanDerWaalsContact C-N 3.26Å; G91-R93 PolarHBondContact O-N 2.95Å; G91-V94 PolarHBondContact O-N 2.98Å; G91-T95 PolarHBondContact O-N 3.45Å
92L88.4Confident91Very high2 Ų254 Ų541%0.0127%0.265CS..Hα-helixtrans-36-46-177.1176.565.1000115.9L87 V94 L96 I157 L161L87-L92 HydrophobicContact CD1-CB 4.48Å; L92-V94 PolarHBondContact O-N 2.75Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 PolarHBondContact O-N 3.38Å; L92-L96 VanDerWaalsContact O-N 3.1Å; L92-I157 HydrophobicContact CD1-CD1 4.19Å; L92-I157 HydrophobicContact CD1-CG2 3.64Å; L92-L161 HydrophobicContact CD1-CB 4.42Å; L92-L161 HydrophobicContact CD1-CD1 4.48Å; L92-L161 HydrophobicContact CD2-CD1 3.65Å
93R92.8Very high91.3Very high80 Ų8051.1 Ų51.130%0.30225%0.247SC..Hα-helixtrans-64.9-39.8-178.4176.8173.4163.31086.7111.9G91 L97 L246 L249 A251G91-R93 VanDerWaalsContact C-N 3.26Å; G91-R93 PolarHBondContact O-N 2.95Å; R93-L97 HydrophobicContact CG-CD1 3.71Å; R93-L97 HydrophobicContact CG-CG 4.35Å; R93-L97 VanDerWaalsContact O-CB 3.32Å; R93-L97 WeakPolarHBondContact O-CB 3.41Å; R93-L97 WeakPolarHBondContact O-CD1 3.18Å; R93-L97 WeakPolarHBondContact O-CG 3.24Å; R93-L97 PolarHBondContact O-N 2.83Å; R93-L246 PolarHBondContact NH1-O 3.3Å; R93-L246 PolarHBondContact NH2-O 3.19Å; R93-L249 HydrophobicContact CB-CD2 4.32Å; R93-L249 HydrophobicContact CB-CG 4.47Å; R93-L249 HydrophobicContact CG-CD2 4.36Å; R93-L249 PolarHBondContact NH1-O 3.34Å; R93-A251 HydrophobicContact CB-CB 3.92Å
94V93.4Very high91.6Very high54 Ų5450.6 Ų50.633%0.32724%0.244SC..Hα-helixtrans-73.3-45.4-178.2179.40000110.2W90 G91 L92 L96 L97 V98W90-V94 HydrophobicContact CB-CB 3.77Å; W90-V94 HydrophobicContact CB-CG1 3.88Å; W90-V94 HydrophobicContact CB-CG2 3.96Å; W90-V94 HydrophobicContact CD2-CG1 4.42Å; W90-V94 HydrophobicContact CE3-CG1 3.9Å; W90-V94 HydrophobicContact CG-CG1 4.46Å; G91-V94 PolarHBondContact O-N 2.98Å; L92-V94 PolarHBondContact O-N 2.75Å; V94-L96 PolarHBondContact O-N 2.97Å; V94-L97 PolarHBondContact O-N 3.37Å; V94-V98 HydrophobicContact CG1-CG2 4.37Å; V94-V98 WeakPolarHBondContact O-CG2 3.38Å; V94-V98 PolarHBondContact O-N 2.89Å
95T92.8Very high92.3Very high6 Ų651.3 Ų51.34%0.03725%0.25CC..Hα-helixtrans-56.5-51.1177.8-430000112I86 L87 G91 L97 V98 A99 I157I86-T95 HydrophobicContact CG2-CG2 4.36Å; L87-T95 WeakPolarHBondContact CA-OG1 3.4Å; L87-T95 HydrophobicContact CB-CG2 4.35Å; L87-T95 PolarHBondContact N-OG1 3.33Å; G91-T95 PolarHBondContact O-N 3.45Å; T95-L97 PolarHBondContact O-N 3.44Å; T95-V98 PolarHBondContact O-N 3.18Å; T95-A99 WeakPolarHBondContact O-CB 3.22Å; T95-A99 PolarHBondContact O-N 2.98Å; T95-I157 HydrophobicContact CG2-CD1 4.22Å
96L94.2Very high93Very high0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-72.9-27.7-175.8-167.558.9000112.5I23 F24 C27 L92 V94 S100 I154 I157 L249I23-L96 HydrophobicContact CG2-CD2 4.45Å; F24-L96 HydrophobicContact CB-CD2 4.04Å; F24-L96 HydrophobicContact CD2-CD1 4.03Å; F24-L96 HydrophobicContact CD2-CD2 4.05Å; C27-L96 HydrophobicContact CB-CD1 3.81Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 PolarHBondContact O-N 3.38Å; L92-L96 VanDerWaalsContact O-N 3.1Å; V94-L96 PolarHBondContact O-N 2.97Å; L96-S100 VanDerWaalsContact O-CB 3.29Å; L96-S100 WeakPolarHBondContact O-CB 3.45Å; L96-S100 PolarHBondContact O-N 3.34Å; L96-S100 PolarHBondContact O-OG 3.13Å; L96-I154 HydrophobicContact CD1-CG1 4.22Å; L96-I157 HydrophobicContact CB-CD1 4.34Å; L96-I157 HydrophobicContact CD1-CD1 4.31Å; L96-L249 HydrophobicContact CB-CD2 3.84Å; L96-L249 HydrophobicContact CD2-CD1 4.42Å; L96-L249 HydrophobicContact CD2-CD2 3.82Å; L96-L249 HydrophobicContact CG-CD2 4.2Å
97L96.1Very high93.4Very high29 Ų2942.7 Ų42.715%0.15222%0.215CC..Hα-helixtrans-68.1-46.8170.9-75.7172.9000112.1R93 V94 T95 S100 A101 F242 A245 L246R93-L97 HydrophobicContact CG-CD1 3.71Å; R93-L97 HydrophobicContact CG-CG 4.35Å; R93-L97 VanDerWaalsContact O-CB 3.32Å; R93-L97 WeakPolarHBondContact O-CB 3.41Å; R93-L97 WeakPolarHBondContact O-CD1 3.18Å; R93-L97 WeakPolarHBondContact O-CG 3.24Å; R93-L97 PolarHBondContact O-N 2.83Å; V94-L97 PolarHBondContact O-N 3.37Å; T95-L97 PolarHBondContact O-N 3.44Å; L97-S100 PolarHBondContact O-OG 3.49Å; L97-A101 WeakPolarHBondContact O-CB 3.21Å; L97-A101 PolarHBondContact O-N 3.3Å; L97-F242 HydrophobicContact CD2-CE2 4.44Å; L97-A245 HydrophobicContact CD2-CB 3.75Å; L97-L246 HydrophobicContact CD2-CB 4.23Å; L97-L246 HydrophobicContact CD2-CD1 4.28Å
98V95.9Very high94Very high67 Ų6744.7 Ų44.741%0.40623%0.229SC..Hα-helixtrans-61.7-47.2177171.60000110.2V94 T95 A101 L102V94-V98 HydrophobicContact CG1-CG2 4.37Å; V94-V98 WeakPolarHBondContact O-CG2 3.38Å; V94-V98 PolarHBondContact O-N 2.89Å; T95-V98 PolarHBondContact O-N 3.18Å; V98-A101 PolarHBondContact O-N 3.37Å; V98-L102 HydrophobicContact CG1-CD1 3.92Å; V98-L102 WeakPolarHBondContact O-CB 3.31Å; V98-L102 VanDerWaalsContact O-CG 3.28Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 2.68Å
99A96.6Very high94.7Very high3 Ų340 Ų403%0.02520%0.204CC..Hα-helixtrans-64.2-47.3179.900000112.6T95 A101 L102 N103 A150 I154T95-A99 WeakPolarHBondContact O-CB 3.22Å; T95-A99 PolarHBondContact O-N 2.98Å; A99-A101 PolarHBondContact O-N 3.45Å; A99-L102 PolarHBondContact O-N 2.74Å; A99-N103 WeakPolarHBondContact O-CB 3.45Å; A99-N103 PolarHBondContact O-N 3.1Å; A99-A150 HydrophobicContact CB-CB 4.5Å; A99-A150 VanDerWaalsContact O-CB 3.31Å; A99-A150 WeakPolarHBondContact O-CB 3.38Å; A99-I154 HydrophobicContact CB-CD1 4.02Å; A99-I154 HydrophobicContact CB-CG1 3.77Å
100S96.7Very high95.3Very high3 Ų331.5 Ų31.52%0.02117%0.172CC..Hα-helixtrans-67.9-34.5178.656.40000113.2L96 L97 N103 A104L96-S100 VanDerWaalsContact O-CB 3.29Å; L96-S100 WeakPolarHBondContact O-CB 3.45Å; L96-S100 PolarHBondContact O-N 3.34Å; L96-S100 PolarHBondContact O-OG 3.13Å; L97-S100 PolarHBondContact O-OG 3.49Å; S100-N103 PolarHBondContact O-N 3.45Å; S100-A104 WeakPolarHBondContact O-CB 3.44Å; S100-A104 PolarHBondContact O-N 2.88Å
101A97.7Very high95.9Very high29 Ų2925.1 Ų25.124%0.2415%0.15CC..Hα-helixtrans-62-48.9172.200000111.9L97 V98 A99 N103 A104 V105 F242L97-A101 WeakPolarHBondContact O-CB 3.21Å; L97-A101 PolarHBondContact O-N 3.3Å; V98-A101 PolarHBondContact O-N 3.37Å; A99-A101 PolarHBondContact O-N 3.45Å; A101-N103 VanDerWaalsContact C-N 3.33Å; A101-N103 PolarHBondContact O-N 2.97Å; A101-A104 PolarHBondContact O-N 3.36Å; A101-V105 WeakPolarHBondContact O-CG2 3.1Å; A101-V105 PolarHBondContact O-N 3.42Å; A101-F242 HydrophobicContact CB-CD2 3.87Å; A101-F242 HydrophobicContact CB-CE2 3.63Å; A101-F242 HydrophobicContact CB-CZ 4.2Å
102L98Very high96.4Very high56 Ų5628.6 Ų28.629%0.29316%0.162SC..Hα-helixtrans-58.5-46.2175.1-72.1168000110.9V98 A99 A104 V105 G106 I146 I149 A150V98-L102 HydrophobicContact CG1-CD1 3.92Å; V98-L102 WeakPolarHBondContact O-CB 3.31Å; V98-L102 VanDerWaalsContact O-CG 3.28Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 2.68Å; A99-L102 PolarHBondContact O-N 2.74Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.47Å; L102-V105 PolarHBondContact O-N 3.24Å; L102-G106 PolarHBondContact O-N 3.16Å; L102-I146 HydrophobicContact CB-CG2 4.15Å; L102-I146 HydrophobicContact CD2-CG2 4.16Å; L102-I146 WeakPolarHBondContact O-CG2 3.42Å; L102-I149 HydrophobicContact CD1-CG2 3.93Å; L102-A150 HydrophobicContact CB-CB 4.03Å
103N97.3Very high96.7Very high2 Ų228.5 Ų28.51%0.01116%0.161CC..Hα-helixtrans-63.1-37.3-178.8-147.433.5000112.5N31 A99 S100 A101 G107 C147 A150 N238N31-N103 WeakPolarHBondContact CA-ND2 3.41Å; N31-N103 VanDerWaalsContact CB-ND2 3.32Å; N31-N103 WeakPolarHBondContact CB-ND2 3.44Å; N31-N103 PolarHBondContact N-ND2 3.3Å; N31-N103 VanDerWaalsContact N-ND2 3.2Å; N31-N103 PolarHBondContact ND2-OD1 3.43Å; A99-N103 WeakPolarHBondContact O-CB 3.45Å; A99-N103 PolarHBondContact O-N 3.1Å; S100-N103 PolarHBondContact O-N 3.45Å; A101-N103 VanDerWaalsContact C-N 3.33Å; A101-N103 PolarHBondContact O-N 2.97Å; N103-G107 PolarHBondContact O-N 2.82Å; N103-G107 VanDerWaalsContact O-N 3.13Å; N103-C147 WeakPolarHBondContact OD1-CB 3.34Å; N103-A150 HydrophobicContact CB-CB 3.94Å; N103-N238 PolarHBondContact ND2-OD1 2.9Å
104A98.1Very high96.9Very high7 Ų724.7 Ų24.76%0.05815%0.147CC..Hα-helixtrans-67.5-45.3172.800000112.4S100 A101 L102 G107 C108 I239 F242S100-A104 WeakPolarHBondContact O-CB 3.44Å; S100-A104 PolarHBondContact O-N 2.88Å; A101-A104 PolarHBondContact O-N 3.36Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.47Å; A104-G107 PolarHBondContact O-N 3.39Å; A104-C108 PolarHBondContact O-N 3.1Å; A104-C108 PolarHBondContact O-SG 2.94Å; A104-I239 HydrophobicContact CB-CG1 4.04Å; A104-F242 HydrophobicContact CB-CB 4.5Å
105V98.5Very high96.9Very high76 Ų7623.9 Ų23.946%0.46115%0.146SC..Hα-helixtrans-61.1-45.1176.5167.80000111.2A101 L102 G107 C108 I109A101-V105 WeakPolarHBondContact O-CG2 3.1Å; A101-V105 PolarHBondContact O-N 3.42Å; L102-V105 PolarHBondContact O-N 3.24Å; V105-G107 PolarHBondContact O-N 2.85Å; V105-C108 PolarHBondContact O-N 3.48Å; V105-I109 HydrophobicContact CG1-CD1 3.75Å; V105-I109 HydrophobicContact CG1-CG1 4.49Å; V105-I109 WeakPolarHBondContact O-CG1 3.4Å; V105-I109 PolarHBondContact O-N 2.88Å
106G98.6Very high96.9Very high0 Ų025.5 Ų25.50%016%0.156CC..Hα-helixtrans-59.4-44175.200000112.4L102 C108 I109 K110 G143L102-G106 PolarHBondContact O-N 3.16Å; G106-C108 PolarHBondContact O-N 2.96Å; G106-I109 PolarHBondContact O-N 2.91Å; G106-K110 WeakPolarHBondContact O-CG 3.22Å; G106-K110 PolarHBondContact O-N 3.48Å; G106-K110 VanDerWaalsContact O-N 3.07Å; G106-G143 WeakPolarHBondContact CA-O 3.33Å
107G98.3Very high96.7Very high0 Ų025.8 Ų25.80%016%0.158CC..Hα-helixtrans-59.7-42.4173.100000113.5N103 A104 V105 K110 C111N103-G107 PolarHBondContact O-N 2.82Å; N103-G107 VanDerWaalsContact O-N 3.13Å; A104-G107 PolarHBondContact O-N 3.39Å; V105-G107 PolarHBondContact O-N 2.85Å; G107-K110 PolarHBondContact O-N 3.36Å; G107-C111 PolarHBondContact O-N 3.25Å; G107-C111 PolarHBondContact O-SG 2.89Å
108C98.5Very high95.8Very high53 Ų5330.6 Ų30.636%0.35818%0.175SC..Hα-helixtrans-63.9-40.4175.4-63.20000112.2A104 V105 G106 K110 C111 I112A104-C108 PolarHBondContact O-N 3.1Å; A104-C108 PolarHBondContact O-SG 2.94Å; V105-C108 PolarHBondContact O-N 3.48Å; G106-C108 PolarHBondContact O-N 2.96Å; C108-K110 VanDerWaalsContact C-N 3.33Å; C108-K110 PolarHBondContact O-N 3.15Å; C108-C111 VanDerWaalsContact O-CB 3.29Å; C108-C111 WeakPolarHBondContact O-CB 3.2Å; C108-C111 PolarHBondContact O-N 3.32Å; C108-C111 VanDerWaalsContact O-N 3.11Å; C108-I112 PolarHBondContact O-N 3.49Å
109I98.5Very high94.5Very high28 Ų2833.2 Ų33.214%0.14418%0.182CC..Hα-helixtrans-63.9-37.4177.3-71.3166.2000111.3V105 G106 C111 I112 A113 I139 F142 I146V105-I109 HydrophobicContact CG1-CD1 3.75Å; V105-I109 HydrophobicContact CG1-CG1 4.49Å; V105-I109 WeakPolarHBondContact O-CG1 3.4Å; V105-I109 PolarHBondContact O-N 2.88Å; G106-I109 PolarHBondContact O-N 2.91Å; I109-C111 VanDerWaalsContact C-N 3.28Å; I109-C111 PolarHBondContact O-N 3.47Å; I109-I112 WeakPolarHBondContact O-CB 3.24Å; I109-I112 PolarHBondContact O-N 2.91Å; I109-I112 VanDerWaalsContact O-N 3.11Å; I109-A113 PolarHBondContact O-N 2.9Å; I109-I139 HydrophobicContact CG2-CG2 3.75Å; I109-I139 WeakPolarHBondContact CG2-O 3.34Å; I109-F142 HydrophobicContact CD1-CD1 4.22Å; I109-F142 HydrophobicContact CD1-CE1 4.08Å; I109-F142 HydrophobicContact CG2-CD1 4.13Å; I109-I146 HydrophobicContact CD1-CD1 3.5Å; I109-I146 VanDerWaalsContact CD1-CD1 3.5Å
110K98.4Very high92.8Very high0 Ų033.8 Ų33.80%019%0.186CC..Hα-helixtrans-65-31.1173.7-60.7171.8-162.1179.90112.3G106 G107 C108 A113 G114 L140 G143 C147 L231G106-K110 WeakPolarHBondContact O-CG 3.22Å; G106-K110 PolarHBondContact O-N 3.48Å; G106-K110 VanDerWaalsContact O-N 3.07Å; G107-K110 PolarHBondContact O-N 3.36Å; C108-K110 VanDerWaalsContact C-N 3.33Å; C108-K110 PolarHBondContact O-N 3.15Å; K110-A113 WeakPolarHBondContact O-CB 3.34Å; K110-A113 PolarHBondContact O-N 3.45Å; K110-G114 PolarHBondContact O-N 3.33Å; K110-G114 VanDerWaalsContact O-N 3.11Å; K110-L140 HydrophobicContact CB-CD1 4.04Å; K110-L140 HydrophobicContact CG-CD1 4.01Å; K110-G143 WeakPolarHBondContact CE-O 3.5Å; K110-C147 PolarHBondContact NZ-SG 2.95Å; K110-C147 VanDerWaalsContact NZ-SG 3.39Å; K110-L231 HydrophobicContact CB-CD2 3.87Å
111C98.2Very high91Very high12 Ų1234.9 Ų34.98%0.08119%0.192CC..Hα-helixtrans-64.8-40.1171.2-57.30000111.6G107 C108 I109 A113 G114 A115 M228 L231 Y232G107-C111 PolarHBondContact O-N 3.25Å; G107-C111 PolarHBondContact O-SG 2.89Å; C108-C111 VanDerWaalsContact O-CB 3.29Å; C108-C111 WeakPolarHBondContact O-CB 3.2Å; C108-C111 PolarHBondContact O-N 3.32Å; C108-C111 VanDerWaalsContact O-N 3.11Å; I109-C111 VanDerWaalsContact C-N 3.28Å; I109-C111 PolarHBondContact O-N 3.47Å; C111-A113 VanDerWaalsContact C-N 3.32Å; C111-G114 PolarHBondContact O-N 3.32Å; C111-A115 WeakPolarHBondContact O-CB 3.29Å; C111-A115 PolarHBondContact O-N 2.97Å; C111-M228 WeakPolarHBondContact O-CE 3.32Å; C111-L231 VanDerWaalsContact SG-C 3.54Å; C111-L231 PolarHBondContact SG-O 3.38Å; C111-Y232 HydrophobicContact CB-CD1 4.11Å; C111-Y232 HydrophobicContact CB-CE1 4.04Å
112I96.9Very high89.6Confident93 Ų9335.5 Ų35.548%0.47719%0.19SC..Hα-helixtrans-61.7-43.8172.9-57.8172.5000109.9C108 I109 G114 A115 V116 I139C108-I112 PolarHBondContact O-N 3.49Å; I109-I112 WeakPolarHBondContact O-CB 3.24Å; I109-I112 PolarHBondContact O-N 2.91Å; I109-I112 VanDerWaalsContact O-N 3.11Å; I112-G114 VanDerWaalsContact C-N 3.33Å; I112-G114 PolarHBondContact O-N 3.25Å; I112-A115 PolarHBondContact O-N 3.35Å; I112-A115 VanDerWaalsContact O-N 3.11Å; I112-V116 HydrophobicContact CG2-CG1 4.14Å; I112-V116 WeakPolarHBondContact O-CG2 3.34Å; I112-V116 PolarHBondContact O-N 2.91Å; I112-I139 HydrophobicContact CB-CG2 4.48Å; I112-I139 HydrophobicContact CG2-CG2 4.47Å
113A96.2Very high87.8Confident0 Ų036.4 Ų36.40%021%0.212CC..Hα-helixtrans-55.8-42.5177.500000113.3W49 I109 K110 C111 T117 G136 I139 L140W49-A113 HydrophobicContact CZ2-CB 4.4Å; W49-A113 PolarHBondContact NE1-O 3.09Å; I109-A113 PolarHBondContact O-N 2.9Å; K110-A113 WeakPolarHBondContact O-CB 3.34Å; K110-A113 PolarHBondContact O-N 3.45Å; C111-A113 VanDerWaalsContact C-N 3.32Å; A113-T117 PolarHBondContact O-OG1 3.25Å; A113-G136 WeakPolarHBondContact CB-O 3.18Å; A113-I139 HydrophobicContact CB-CB 3.99Å; A113-I139 HydrophobicContact CB-CG2 3.86Å; A113-L140 HydrophobicContact CB-CB 3.83Å; A113-L140 HydrophobicContact CB-CD1 4.29Å
114G95.2Very high86Confident0 Ų042.3 Ų42.30%024%0.24CC..Hα-helixtrans-73.9-33.4175.100000113.6K110 C111 I112 K224K110-G114 PolarHBondContact O-N 3.33Å; K110-G114 VanDerWaalsContact O-N 3.11Å; C111-G114 PolarHBondContact O-N 3.32Å; I112-G114 VanDerWaalsContact C-N 3.33Å; I112-G114 PolarHBondContact O-N 3.25Å; G114-K224 WeakPolarHBondContact O-CE 3.22Å
115A94.2Very high83.9Confident37 Ų3746.3 Ų46.331%0.30627%0.268SS..Hα-helixtrans-65.7-45.3179.300000112C111 I112 T117 K224 M228C111-A115 WeakPolarHBondContact O-CB 3.29Å; C111-A115 PolarHBondContact O-N 2.97Å; I112-A115 PolarHBondContact O-N 3.35Å; I112-A115 VanDerWaalsContact O-N 3.11Å; A115-T117 VanDerWaalsContact C-N 3.3Å; A115-T117 PolarHBondContact O-N 3.13Å; A115-K224 PolarHBondContact O-NZ 3.08Å; A115-M228 HydrophobicContact CB-CE 4.14Å; A115-M228 PolarHBondContact N-SD 3.09Å; A115-M228 VanDerWaalsContact N-SD 3.43Å
116V92Very high81.9Confident40 Ų4048.5 Ų48.524%0.24228%0.277CS..SBendtrans-77.6-8.5-178-55.50000114.6I112 Y118 I139I112-V116 HydrophobicContact CG2-CG1 4.14Å; I112-V116 WeakPolarHBondContact O-CG2 3.34Å; I112-V116 PolarHBondContact O-N 2.91Å; V116-Y118 WeakPolarHBondContact O-CD2 3.32Å; V116-Y118 PolarHBondContact O-N 3Å; V116-I139 HydrophobicContact CG2-CD1 4.07Å
117T90.5Very high79.9Confident6 Ų654.2 Ų54.24%0.03731%0.306CS..  trans-79.9118.6175.7-64.10000110.3F48 W49 A113 A115 G136 F220 K224F48-T117 HydrophobicContact CE1-CG2 4.19Å; F48-T117 HydrophobicContact CE2-CG2 4.14Å; F48-T117 HydrophobicContact CZ-CG2 3.94Å; F48-T117 VanDerWaalsContact O-CG2 3.23Å; F48-T117 WeakPolarHBondContact O-CG2 3.48Å; W49-T117 PolarHBondContact NE1-OG1 3.4Å; A113-T117 PolarHBondContact O-OG1 3.25Å; A115-T117 VanDerWaalsContact C-N 3.3Å; A115-T117 PolarHBondContact O-N 3.13Å; T117-G136 WeakPolarHBondContact OG1-CA 3.08Å; T117-F220 HydrophobicContact CG2-CE2 4.38Å; T117-F220 HydrophobicContact CG2-CZ 4.16Å; T117-K224 WeakPolarHBondContact O-CE 3.26Å; T117-K224 PolarHBondContact O-NZ 2.83Å
118Y78.1Confident78.1Confident131 Ų13159.3 Ų59.351%0.51434%0.342SS..  trans-123.1148177.1-64.5-89.5000109.9V116 H133V116-Y118 WeakPolarHBondContact O-CD2 3.32Å; V116-Y118 PolarHBondContact O-N 3Å; Y118-H133 PolarHBondContact O-CE1 3.21Å; Y118-H133 PolarHBondContact O-ND1 3.21Å
119E67.8Low76.7Confident121 Ų12157.9 Ų57.957%0.56533%0.33SS*.  trans47.7140.9164.5-151.8157.7-149.600120.8T121E119-T121 PolarHBondContact O-N 3.11Å
120T60.4Low75.4Confident16 Ų1659.8 Ų59.810%0.09835%0.345CS..  trans-89.6100.4-170.919.60000114.4F47 F122 V216 N217 F220F47-T120 HydrophobicContact CE1-CG2 4.37Å; F47-T120 HydrophobicContact CE2-CG2 3.85Å; F47-T120 HydrophobicContact CZ-CG2 3.7Å; T120-F122 HydrophobicContact CG2-CB 4.07Å; T120-F122 PolarHBondContact O-N 3.23Å; T120-V216 HydrophobicContact CG2-CG1 4Å; T120-N217 PolarHBondContact OG1-OD1 3.05Å; T120-F220 HydrophobicContact CG2-CB 3.73Å; T120-F220 HydrophobicContact CG2-CD2 3.53Å; T120-F220 HydrophobicContact CG2-CE2 4.38Å; T120-F220 HydrophobicContact CG2-CG 3.83Å
121T60.3Low74.3Confident25 Ų2567.4 Ų67.415%0.15338%0.378CS..  trans-86.330153.960.80000111.8E119 G123 Q124 I129E119-T121 PolarHBondContact O-N 3.11Å; T121-G123 PolarHBondContact O-N 3.31Å; T121-Q124 PolarHBondContact O-N 3.42Å; T121-I129 HydrophobicContact CG2-CD1 4.09Å; T121-I129 HydrophobicContact CG2-CG1 4.19Å; T121-I129 HydrophobicContact CG2-CG2 4.35Å
122F67.4Low73.1Confident42 Ų4269.3 Ų69.318%0.18439%0.392CS..THydrogen-bonded Turntrans-62.3113.2-175.8-179.4-99000110.6F47 D50 T120 Q124 L210F47-F122 HydrophobicContact CB-CD2 4.27Å; F47-F122 HydrophobicContact CB-CE2 4.18Å; F47-F122 HydrophobicContact CD2-CB 4.11Å; F47-F122 AromaticContact CD2-CD1 3.98Å; F47-F122 HydrophobicContact CD2-CD1 3.98Å; F47-F122 AromaticContact CD2-CD2 3.78Å; F47-F122 HydrophobicContact CD2-CD2 3.78Å; F47-F122 HydrophobicContact CD2-CE1 4.36Å; F47-F122 HydrophobicContact CD2-CE2 4.17Å; F47-F122 AromaticContact CD2-CG 3.67Å; F47-F122 HydrophobicContact CD2-CG 3.67Å; F47-F122 HydrophobicContact CD2-CZ 4.45Å; F47-F122 HydrophobicContact CE2-CB 4.18Å; F47-F122 HydrophobicContact CE2-CD1 4.34Å; F47-F122 HydrophobicContact CE2-CG 4.14Å; F47-F122 HydrophobicContact CG-CD2 4.43Å; D50-F122 HydrophobicContact CB-CD2 4.07Å; T120-F122 HydrophobicContact CG2-CB 4.07Å; T120-F122 PolarHBondContact O-N 3.23Å; F122-Q124 PolarHBondContact O-N 3.25Å; F122-L210 HydrophobicContact CD1-CD1 3.84Å; F122-L210 HydrophobicContact CD1-CG 4.11Å; F122-L210 HydrophobicContact CE1-CD1 4.26Å; F122-L210 HydrophobicContact CE1-CD2 4.5Å; F122-L210 HydrophobicContact CE1-CG 4.01Å
123G60.6Low72Confident75 Ų7566 Ų6677%0.77337%0.374SS*.THydrogen-bonded Turntrans74.16-174.600000115.3T121T121-G123 PolarHBondContact O-N 3.31Å
124Q59.9Low71.4Confident126 Ų12669.7 Ų69.759%0.58939%0.39SS*.  trans-94145.9170.1-64.8-175-4.600110.5T121 F122T121-Q124 PolarHBondContact O-N 3.42Å; F122-Q124 PolarHBondContact O-N 3.25Å
125S54.1Low71.1Confident92 Ų9272.6 Ų72.664%0.64341%0.405SS*.  trans-72.6166174.546.50000112I127S125-I127 PolarHBondContact O-N 3.41Å
126D55Low71.1Confident121 Ų12170.8 Ų70.865%0.64739%0.391SS*.  trans-63.860.8-169.6-111.2-59.8000115.7S128 K134D126-S128 PolarHBondContact O-N 2.8Å; D126-S128 VanDerWaalsContact O-N 3.13Å; D126-K134 IonicContact OD1-NZ 2.88Å; D126-K134 PolarHBondContact OD1-NZ 3.45Å; D126-K134 IonicContact OD2-NZ 2.68Å
127I57Low71.2Confident121 Ų12169.2 Ų69.262%0.62138%0.381SS*.SBendtrans-81.790.4174.7-58.7177.6000109S125 I129S125-I127 PolarHBondContact O-N 3.41Å; I127-I129 PolarHBondContact O-N 2.71Å
128S61.8Low71.5Confident107 Ų10772 Ų7275%0.74840%0.399SS*.  trans47.835.8163.858.70000116.4D126 P130D126-S128 PolarHBondContact O-N 2.8Å; D126-S128 VanDerWaalsContact O-N 3.13Å; S128-P130 WeakPolarHBondContact O-CD 3.48Å
129I67.6Low72.4Confident22 Ų2267.8 Ų67.811%0.11338%0.384CS..  trans-60.8123.6-176.5-31.1179.6000109.9A51 T121 I127 H133A51-I129 HydrophobicContact CB-CD1 4.02Å; A51-I129 HydrophobicContact CB-CG2 4.25Å; T121-I129 HydrophobicContact CG2-CD1 4.09Å; T121-I129 HydrophobicContact CG2-CG1 4.19Å; T121-I129 HydrophobicContact CG2-CG2 4.35Å; I127-I129 PolarHBondContact O-N 2.71Å; I129-H133 HydrophobicContact CG2-CB 3.71Å
130P71.8Confident73.9Confident69 Ų6962 Ų6245%0.44836%0.358SS..  trans-60.9144.8-174.8-22.331.5000112.6S128 S132 H133S128-P130 WeakPolarHBondContact O-CD 3.48Å; P130-S132 PolarHBondContact O-N 3.08Å; P130-H133 WeakPolarHBondContact O-CB 3.28Å; P130-H133 PolarHBondContact O-CD2 3Å; P130-H133 PolarHBondContact O-N 2.82Å
131F76.4Confident75.7Confident159 Ų15963 Ų6370%0.69736%0.362SS*.THydrogen-bonded Turntrans-53.9-34.7-171.5-179.8-103.8000114.2H133 K134 L135F131-H133 VanDerWaalsContact C-N 3.29Å; F131-H133 PolarHBondContact O-N 3.09Å; F131-K134 PolarHBondContact O-N 3.4Å; F131-K134 VanDerWaalsContact O-N 3.09Å; F131-L135 HydrophobicContact CD1-CD1 4.24Å; F131-L135 HydrophobicContact CD1-CG 4.39Å; F131-L135 HydrophobicContact CE1-CD1 3.94Å; F131-L135 HydrophobicContact CE1-CD2 3.83Å; F131-L135 HydrophobicContact CE1-CG 4.06Å; F131-L135 HydrophobicContact CZ-CD2 3.84Å; F131-L135 HydrophobicContact CZ-CG 4.46Å
132S71.6Confident77.5Confident53 Ų5367.8 Ų67.837%0.37138%0.38SS..THydrogen-bonded Turntrans-56.3-38.8174.442.60000113.5P130 K134 L135P130-S132 PolarHBondContact O-N 3.08Å; S132-K134 PolarHBondContact O-N 2.89Å; S132-L135 WeakPolarHBondContact O-CB 3.38Å; S132-L135 PolarHBondContact O-N 3.21Å; S132-L135 VanDerWaalsContact O-N 3.17Å
133H74.7Confident79Confident24 Ų2465.8 Ų65.811%0.11137%0.372CS..G310 helixtrans-64.2-33.7179-61.5-132.4000110.4S52 Y118 I129 P130 F131 L135S52-H133 WeakPolarHBondContact CB-O 3.31Å; Y118-H133 PolarHBondContact O-CE1 3.21Å; Y118-H133 PolarHBondContact O-ND1 3.21Å; I129-H133 HydrophobicContact CG2-CB 3.71Å; P130-H133 WeakPolarHBondContact O-CB 3.28Å; P130-H133 PolarHBondContact O-CD2 3Å; P130-H133 PolarHBondContact O-N 2.82Å; F131-H133 VanDerWaalsContact C-N 3.29Å; F131-H133 PolarHBondContact O-N 3.09Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 PolarHBondContact O-N 2.93Å
134K83.4Confident80.8Confident76 Ų7662.2 Ų62.233%0.3334%0.335SS..G310 helixtrans-77.4-5.8179.9-54.6-155.3172.5-161.60113.9S52 D126 F131 S132 P138S52-K134 WeakPolarHBondContact CB-O 3.34Å; D126-K134 IonicContact OD1-NZ 2.88Å; D126-K134 PolarHBondContact OD1-NZ 3.45Å; D126-K134 IonicContact OD2-NZ 2.68Å; F131-K134 PolarHBondContact O-N 3.4Å; F131-K134 VanDerWaalsContact O-N 3.09Å; S132-K134 PolarHBondContact O-N 2.89Å; K134-P138 WeakPolarHBondContact O-CD 3.41Å
135L89.5Confident82.6Confident61 Ų6157.9 Ų57.932%0.31932%0.317SS..G310 helixtrans-88.3-17.3179.1-66.7177.7000114.8F131 S132 H133 P138 I139F131-L135 HydrophobicContact CD1-CD1 4.24Å; F131-L135 HydrophobicContact CD1-CG 4.39Å; F131-L135 HydrophobicContact CE1-CD1 3.94Å; F131-L135 HydrophobicContact CE1-CD2 3.83Å; F131-L135 HydrophobicContact CE1-CG 4.06Å; F131-L135 HydrophobicContact CZ-CD2 3.84Å; F131-L135 HydrophobicContact CZ-CG 4.46Å; S132-L135 WeakPolarHBondContact O-CB 3.38Å; S132-L135 PolarHBondContact O-N 3.21Å; S132-L135 VanDerWaalsContact O-N 3.17Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 PolarHBondContact O-N 2.93Å; L135-P138 WeakPolarHBondContact O-CD 3.48Å; L135-I139 HydrophobicContact CB-CD1 3.94Å; L135-I139 VanDerWaalsContact O-CG1 3.27Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3Å
136G93Very high84.7Confident0 Ų054.3 Ų54.30%029%0.291CS..Hα-helixtrans-54.1-64.3-173.400000113.7A113 T117 I139 L140A113-G136 WeakPolarHBondContact CB-O 3.18Å; T117-G136 WeakPolarHBondContact OG1-CA 3.08Å; G136-I139 PolarHBondContact O-N 3.32Å; G136-L140 PolarHBondContact O-N 3.5Å
137F95.1Very high86.8Confident7 Ų748.6 Ų48.63%0.03126%0.26CS..Hα-helixtrans-64.2-39.3-178.9-167.1-95.3000114.4V45 W49 S52 I53 S64 V65 L68 I139 L140 M141V45-F137 HydrophobicContact CG1-CE2 4.43Å; W49-F137 HydrophobicContact CB-CB 4.25Å; W49-F137 HydrophobicContact CB-CD2 4.23Å; W49-F137 HydrophobicContact CG-CB 4.39Å; W49-F137 HydrophobicContact CG-CD2 4.47Å; S52-F137 VanDerWaalsContact OG-CB 3.24Å; S52-F137 WeakPolarHBondContact OG-CB 3.44Å; S52-F137 PolarHBondContact OG-N 2.94Å; I53-F137 HydrophobicContact CB-CG 4.39Å; I53-F137 HydrophobicContact CD1-CD2 4.4Å; I53-F137 HydrophobicContact CG1-CB 4.03Å; I53-F137 HydrophobicContact CG1-CD1 4.33Å; I53-F137 HydrophobicContact CG1-CD2 3.54Å; I53-F137 HydrophobicContact CG1-CE2 4.04Å; I53-F137 HydrophobicContact CG1-CG 3.71Å; S64-F137 VanDerWaalsContact O-CZ 3.25Å; S64-F137 WeakPolarHBondContact O-CZ 3.22Å; V65-F137 HydrophobicContact CG2-CE2 4.23Å; L68-F137 HydrophobicContact CD1-CE2 3.96Å; L68-F137 HydrophobicContact CD1-CZ 4.33Å; L68-F137 HydrophobicContact CD2-CE2 4.33Å; L68-F137 HydrophobicContact CD2-CZ 4.24Å; L68-F137 HydrophobicContact CG-CE2 4.23Å; L68-F137 HydrophobicContact CG-CZ 4.12Å; F137-I139 VanDerWaalsContact C-N 3.33Å; F137-I139 PolarHBondContact O-N 3.45Å; F137-L140 HydrophobicContact CD2-CD2 3.86Å; F137-L140 HydrophobicContact CE2-CD2 4.04Å; F137-L140 WeakPolarHBondContact O-CB 3.4Å; F137-L140 PolarHBondContact O-N 2.86Å; F137-M141 HydrophobicContact CE1-CE 3.65Å; F137-M141 HydrophobicContact CZ-CE 3.63Å; F137-M141 WeakPolarHBondContact O-CB 3.33Å; F137-M141 PolarHBondContact O-N 2.73Å
138P96.4Very high88.8Confident64 Ų6442.8 Ų42.842%0.41623%0.23SC..Hα-helixtrans-55.2-42.5170.3-30.336.5000114.2K134 L135 F142K134-P138 WeakPolarHBondContact O-CD 3.41Å; L135-P138 WeakPolarHBondContact O-CD 3.48Å; P138-F142 WeakPolarHBondContact O-CB 3.22Å; P138-F142 PolarHBondContact O-N 3.39Å
139I97.4Very high90.5Very high42 Ų4240.5 Ų40.522%0.21521%0.209CC..Hα-helixtrans-71-37.8177-63.2167.7000110.7I109 I112 A113 V116 L135 G136 F137 F142 G143I109-I139 HydrophobicContact CG2-CG2 3.75Å; I109-I139 WeakPolarHBondContact CG2-O 3.34Å; I112-I139 HydrophobicContact CB-CG2 4.48Å; I112-I139 HydrophobicContact CG2-CG2 4.47Å; A113-I139 HydrophobicContact CB-CB 3.99Å; A113-I139 HydrophobicContact CB-CG2 3.86Å; V116-I139 HydrophobicContact CG2-CD1 4.07Å; L135-I139 HydrophobicContact CB-CD1 3.94Å; L135-I139 VanDerWaalsContact O-CG1 3.27Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3Å; G136-I139 PolarHBondContact O-N 3.32Å; F137-I139 VanDerWaalsContact C-N 3.33Å; F137-I139 PolarHBondContact O-N 3.45Å; I139-F142 PolarHBondContact O-N 2.94Å; I139-G143 PolarHBondContact O-N 2.93Å
140L98Very high91.9Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-58.1-49.2173.7-174.273000111L38 W49 L68 K110 A113 G136 F137 F142 G143 Q144L38-L140 HydrophobicContact CD1-CD1 3.97Å; L38-L140 HydrophobicContact CD1-CD2 4.3Å; L38-L140 HydrophobicContact CD1-CG 4.26Å; W49-L140 HydrophobicContact CD2-CD2 3.95Å; W49-L140 HydrophobicContact CE3-CD2 3.73Å; W49-L140 HydrophobicContact CH2-CD1 3.64Å; W49-L140 HydrophobicContact CH2-CD2 3.84Å; W49-L140 HydrophobicContact CH2-CG 4.34Å; W49-L140 HydrophobicContact CZ2-CD1 3.8Å; W49-L140 HydrophobicContact CZ2-CD2 4.05Å; W49-L140 HydrophobicContact CZ2-CG 4.36Å; W49-L140 HydrophobicContact CZ3-CD1 4.28Å; W49-L140 HydrophobicContact CZ3-CD2 3.68Å; L68-L140 HydrophobicContact CD1-CD2 4.09Å; L68-L140 HydrophobicContact CD2-CD2 4.16Å; L68-L140 HydrophobicContact CD2-CG 4.23Å; K110-L140 HydrophobicContact CB-CD1 4.04Å; K110-L140 HydrophobicContact CG-CD1 4.01Å; A113-L140 HydrophobicContact CB-CB 3.83Å; A113-L140 HydrophobicContact CB-CD1 4.29Å; G136-L140 PolarHBondContact O-N 3.5Å; F137-L140 HydrophobicContact CD2-CD2 3.86Å; F137-L140 HydrophobicContact CE2-CD2 4.04Å; F137-L140 WeakPolarHBondContact O-CB 3.4Å; F137-L140 PolarHBondContact O-N 2.86Å; L140-F142 PolarHBondContact O-N 2.64Å; L140-G143 PolarHBondContact O-N 2.92Å; L140-Q144 WeakPolarHBondContact O-CB 3.22Å; L140-Q144 PolarHBondContact O-N 3.47Å
141M98.4Very high93.1Very high38 Ų3836.6 Ų36.619%0.18718%0.184CC..Hα-helixtrans-64.8-37.2179.1-172.660.870.500111.9W67 L68 I71 F137 Q144 T145W67-M141 HydrophobicContact CB-CE 3.81Å; L68-M141 HydrophobicContact CD2-CE 3.6Å; L68-M141 HydrophobicContact CD2-SD 4Å; L68-M141 HydrophobicContact CG-CE 3.92Å; I71-M141 HydrophobicContact CB-SD 4.33Å; I71-M141 HydrophobicContact CG2-SD 4.14Å; F137-M141 HydrophobicContact CE1-CE 3.65Å; F137-M141 HydrophobicContact CZ-CE 3.63Å; F137-M141 WeakPolarHBondContact O-CB 3.33Å; F137-M141 PolarHBondContact O-N 2.73Å; M141-Q144 PolarHBondContact O-N 3.39Å; M141-T145 WeakPolarHBondContact O-CB 3.43Å; M141-T145 PolarHBondContact O-N 3.2Å; M141-T145 PolarHBondContact O-OG1 3.04Å
142F98.6Very high93.9Very high124 Ų12429.3 Ų29.354%0.54415%0.153SC..Hα-helixtrans-63.9-45.3173.5-175.9-116.6000111.7I109 P138 I139 L140 Q144 T145 I146I109-F142 HydrophobicContact CD1-CD1 4.22Å; I109-F142 HydrophobicContact CD1-CE1 4.08Å; I109-F142 HydrophobicContact CG2-CD1 4.13Å; P138-F142 WeakPolarHBondContact O-CB 3.22Å; P138-F142 PolarHBondContact O-N 3.39Å; I139-F142 PolarHBondContact O-N 2.94Å; L140-F142 PolarHBondContact O-N 2.64Å; F142-Q144 VanDerWaalsContact C-N 3.34Å; F142-Q144 PolarHBondContact O-N 2.96Å; F142-T145 WeakPolarHBondContact O-CB 3.46Å; F142-T145 PolarHBondContact O-N 3.45Å; F142-I146 HydrophobicContact CD1-CD1 4.05Å; F142-I146 HydrophobicContact CE1-CD1 3.69Å; F142-I146 HydrophobicContact CE2-CD1 4.32Å; F142-I146 HydrophobicContact CZ-CD1 3.84Å; F142-I146 WeakPolarHBondContact O-CG1 3.48Å; F142-I146 PolarHBondContact O-N 3.39Å; F142-I146 VanDerWaalsContact O-N 3.1Å
143G98.6Very high94.9Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-62.1-38.2172.500000113.2G106 K110 I139 L140 I146 C147G106-G143 WeakPolarHBondContact CA-O 3.33Å; K110-G143 WeakPolarHBondContact CE-O 3.5Å; I139-G143 PolarHBondContact O-N 2.93Å; L140-G143 PolarHBondContact O-N 2.92Å; G143-I146 PolarHBondContact O-N 2.92Å; G143-C147 PolarHBondContact O-N 3.32Å; G143-C147 PolarHBondContact O-SG 3.49Å; G143-C147 VanDerWaalsContact O-SG 3.37Å
144Q98.4Very high95.8Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-64.8-43.2175.2-166.2731.900111.4Q34 W35 L68 I71 Y72 L140 M141 F142 I146 C147 G148Q34-Q144 PolarHBondContact O-NE2 2.93Å; Q34-Q144 VanDerWaalsContact O-NE2 3.11Å; Q34-Q144 PolarHBondContact O-OE1 3.05Å; W35-Q144 PolarHBondContact O-NE2 2.85Å; L68-Q144 HydrophobicContact CB-CG 4.15Å; L68-Q144 HydrophobicContact CD2-CB 3.93Å; L68-Q144 HydrophobicContact CD2-CG 3.85Å; L68-Q144 WeakPolarHBondContact O-CG 3.41Å; L68-Q144 PolarHBondContact O-NE2 3.49Å; I71-Q144 HydrophobicContact CG2-CB 4.26Å; I71-Q144 HydrophobicContact CG2-CG 3.64Å; Y72-Q144 HydrophobicContact CD2-CG 4.45Å; Y72-Q144 HydrophobicContact CE2-CG 4.14Å; L140-Q144 WeakPolarHBondContact O-CB 3.22Å; L140-Q144 PolarHBondContact O-N 3.47Å; M141-Q144 PolarHBondContact O-N 3.39Å; F142-Q144 VanDerWaalsContact C-N 3.34Å; F142-Q144 PolarHBondContact O-N 2.96Å; Q144-I146 VanDerWaalsContact C-N 3.33Å; Q144-I146 PolarHBondContact O-N 3.26Å; Q144-C147 PolarHBondContact O-N 3.39Å; Q144-G148 PolarHBondContact O-N 3.19Å
145T98.7Very high96Very high35 Ų3523.8 Ų23.822%0.21513%0.125CC..Hα-helixtrans-57.6-45.1175.4-56.20000111.3I71 T75 M141 F142 C147 G148 I149I71-T145 HydrophobicContact CD1-CG2 4.43Å; I71-T145 HydrophobicContact CG1-CG2 4.17Å; I71-T145 WeakPolarHBondContact CG1-OG1 3.05Å; T75-T145 HydrophobicContact CG2-CG2 4.05Å; M141-T145 WeakPolarHBondContact O-CB 3.43Å; M141-T145 PolarHBondContact O-N 3.2Å; M141-T145 PolarHBondContact O-OG1 3.04Å; F142-T145 WeakPolarHBondContact O-CB 3.46Å; F142-T145 PolarHBondContact O-N 3.45Å; T145-C147 PolarHBondContact O-N 2.74Å; T145-G148 WeakPolarHBondContact O-CA 3.19Å; T145-G148 PolarHBondContact O-N 2.94Å; T145-G148 VanDerWaalsContact O-N 3.11Å; T145-I149 HydrophobicContact CG2-CD1 4.28Å; T145-I149 WeakPolarHBondContact O-CG1 3.4Å; T145-I149 PolarHBondContact O-N 2.94Å
146I98.6Very high95.6Very high18 Ų1822.6 Ų22.69%0.09213%0.128CC..Hα-helixtrans-64.2-38.7179.2-68.9166.3000111.7L102 I109 F142 G143 Q144 A150L102-I146 HydrophobicContact CB-CG2 4.15Å; L102-I146 HydrophobicContact CD2-CG2 4.16Å; L102-I146 WeakPolarHBondContact O-CG2 3.42Å; I109-I146 HydrophobicContact CD1-CD1 3.5Å; I109-I146 VanDerWaalsContact CD1-CD1 3.5Å; F142-I146 HydrophobicContact CD1-CD1 4.05Å; F142-I146 HydrophobicContact CE1-CD1 3.69Å; F142-I146 HydrophobicContact CE2-CD1 4.32Å; F142-I146 HydrophobicContact CZ-CD1 3.84Å; F142-I146 WeakPolarHBondContact O-CG1 3.48Å; F142-I146 PolarHBondContact O-N 3.39Å; F142-I146 VanDerWaalsContact O-N 3.1Å; G143-I146 PolarHBondContact O-N 2.92Å; Q144-I146 VanDerWaalsContact C-N 3.33Å; Q144-I146 PolarHBondContact O-N 3.26Å; I146-A150 PolarHBondContact O-N 2.81Å; I146-A150 VanDerWaalsContact O-N 3.17Å
147C98.5Very high95.4Very high0 Ų022.8 Ų22.80%013%0.129CC..Hα-helixtrans-68.9-32.3172.4-59.70000112.6N31 Q34 Y72 N103 K110 G143 Q144 T145 A150 Q151N31-C147 PolarHBondContact ND2-O 3.13Å; Q34-C147 HydrophobicContact CB-CB 4.25Å; Y72-C147 HydrophobicContact CE2-CB 4.07Å; Y72-C147 WeakPolarHBondContact OH-CB 3.49Å; N103-C147 WeakPolarHBondContact OD1-CB 3.34Å; K110-C147 PolarHBondContact NZ-SG 2.95Å; K110-C147 VanDerWaalsContact NZ-SG 3.39Å; G143-C147 PolarHBondContact O-N 3.32Å; G143-C147 PolarHBondContact O-SG 3.49Å; G143-C147 VanDerWaalsContact O-SG 3.37Å; Q144-C147 PolarHBondContact O-N 3.39Å; T145-C147 PolarHBondContact O-N 2.74Å; C147-A150 WeakPolarHBondContact O-CB 3.31Å; C147-A150 PolarHBondContact O-N 3.14Å; C147-Q151 PolarHBondContact O-N 3.37Å
148G98.1Very high95.1Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-64.1-46.617200000112.6T75 Q144 T145 A150 Q151T75-G148 WeakPolarHBondContact OG1-CA 3.25Å; T75-G148 PolarHBondContact OG1-O 3.11Å; Q144-G148 PolarHBondContact O-N 3.19Å; T145-G148 WeakPolarHBondContact O-CA 3.19Å; T145-G148 PolarHBondContact O-N 2.94Å; T145-G148 VanDerWaalsContact O-N 3.11Å; G148-A150 PolarHBondContact O-N 2.92Å; G148-Q151 VanDerWaalsContact O-CB 3.26Å; G148-Q151 WeakPolarHBondContact O-CB 3.47Å; G148-Q151 PolarHBondContact O-N 3.31Å
149I97.9Very high94.4Very high58 Ų5822.5 Ų22.530%0.29713%0.133SC..Hα-helixtrans-52.5-44.5171.9-67.9170.3000110.4T75 L79 L102 T145 Q151 S152T75-I149 HydrophobicContact CG2-CG1 4.02Å; L79-I149 HydrophobicContact CD1-CB 4.12Å; L79-I149 HydrophobicContact CD1-CG1 3.71Å; L79-I149 HydrophobicContact CD1-CG2 4.01Å; L102-I149 HydrophobicContact CD1-CG2 3.93Å; T145-I149 HydrophobicContact CG2-CD1 4.28Å; T145-I149 WeakPolarHBondContact O-CG1 3.4Å; T145-I149 PolarHBondContact O-N 2.94Å; I149-Q151 VanDerWaalsContact C-N 3.33Å; I149-Q151 PolarHBondContact O-N 3.19Å; I149-S152 PolarHBondContact O-N 3.07Å; I149-S152 PolarHBondContact O-OG 3.35Å
150A97.4Very high93.6Very high1 Ų123.3 Ų23.31%0.00814%0.136CC..Hα-helixtrans-62.5-32.1177.500000114A99 L102 N103 I146 C147 G148 S152 G153 I154A99-A150 HydrophobicContact CB-CB 4.5Å; A99-A150 VanDerWaalsContact O-CB 3.31Å; A99-A150 WeakPolarHBondContact O-CB 3.38Å; L102-A150 HydrophobicContact CB-CB 4.03Å; N103-A150 HydrophobicContact CB-CB 3.94Å; I146-A150 PolarHBondContact O-N 2.81Å; I146-A150 VanDerWaalsContact O-N 3.17Å; C147-A150 WeakPolarHBondContact O-CB 3.31Å; C147-A150 PolarHBondContact O-N 3.14Å; G148-A150 PolarHBondContact O-N 2.92Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 2.8Å; A150-G153 PolarHBondContact O-N 3.29Å; A150-G153 VanDerWaalsContact O-N 3.11Å; A150-I154 PolarHBondContact O-N 3.31Å
151Q96.7Very high93.2Very high8 Ų823.3 Ų23.34%0.03714%0.136CC..Hα-helixtrans-57.7-40.1178.6-170.9-172.158.600111.9N31 Y72 Y76 C147 G148 I149 G153 I154 L155N31-Q151 VanDerWaalsContact OD1-CA 3.3Å; N31-Q151 WeakPolarHBondContact OD1-CA 3.39Å; N31-Q151 WeakPolarHBondContact OD1-CB 3.46Å; N31-Q151 WeakPolarHBondContact OD1-CG 3.27Å; Y72-Q151 HydrophobicContact CD1-CB 3.95Å; Y72-Q151 HydrophobicContact CD1-CG 4.27Å; Y72-Q151 HydrophobicContact CE1-CB 4.22Å; Y76-Q151 HydrophobicContact CD2-CG 4.42Å; C147-Q151 PolarHBondContact O-N 3.37Å; G148-Q151 VanDerWaalsContact O-CB 3.26Å; G148-Q151 WeakPolarHBondContact O-CB 3.47Å; G148-Q151 PolarHBondContact O-N 3.31Å; I149-Q151 VanDerWaalsContact C-N 3.33Å; I149-Q151 PolarHBondContact O-N 3.19Å; Q151-G153 PolarHBondContact O-N 2.93Å; Q151-I154 PolarHBondContact O-N 2.76Å; Q151-L155 HydrophobicContact CG-CB 4.47Å; Q151-L155 PolarHBondContact O-N 3.01Å
152S93.3Very high92.5Very high6 Ų621.5 Ų21.54%0.04213%0.127CC..Hα-helixtrans-59.3-29.3179.774.50000113.1S83 I149 A150S83-S152 VanDerWaalsContact CB-O 3.26Å; S83-S152 WeakPolarHBondContact CB-O 3.4Å; S83-S152 PolarHBondContact OG-OG 2.92Å; I149-S152 PolarHBondContact O-N 3.07Å; I149-S152 PolarHBondContact O-OG 3.35Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 2.8Å
153G91.8Very high91.7Very high7 Ų717.4 Ų17.47%0.07212%0.115CC..THydrogen-bonded Turntrans-91417600000114.7A150 Q151 I157A150-G153 PolarHBondContact O-N 3.29Å; A150-G153 VanDerWaalsContact O-N 3.11Å; Q151-G153 PolarHBondContact O-N 2.93Å; G153-I157 WeakPolarHBondContact O-CD1 3.3Å
154I93.7Very high91.1Very high0 Ų018.7 Ų18.70%012%0.123CC..THydrogen-bonded Turntrans-119.8-50.6-175.6-73.6167.4000111.4F24 N31 L96 A99 A150 Q151 G156 I157F24-I154 HydrophobicContact CE2-CG2 4.09Å; F24-I154 WeakPolarHBondContact CE2-O 3.43Å; F24-I154 HydrophobicContact CZ-CG2 4.44Å; N31-I154 HydrophobicContact CB-CD1 3.8Å; L96-I154 HydrophobicContact CD1-CG1 4.22Å; A99-I154 HydrophobicContact CB-CD1 4.02Å; A99-I154 HydrophobicContact CB-CG1 3.77Å; A150-I154 PolarHBondContact O-N 3.31Å; Q151-I154 PolarHBondContact O-N 2.76Å; I154-G156 VanDerWaalsContact C-N 3.29Å; I154-G156 PolarHBondContact O-N 3.1Å; I154-I157 WeakPolarHBondContact O-CB 3.43Å; I154-I157 PolarHBondContact O-N 3.48Å
155L88.3Confident90.6Very high30 Ų3019 Ų1916%0.15713%0.125CC..THydrogen-bonded Turntrans-62.7-33.5-164.9-153.972.7000113.6Y76 Q151 P158Y76-L155 HydrophobicContact CD2-CD2 4.45Å; Y76-L155 HydrophobicContact CE2-CB 3.93Å; Y76-L155 HydrophobicContact CE2-CD2 3.73Å; Y76-L155 HydrophobicContact CE2-CG 4.5Å; Q151-L155 HydrophobicContact CG-CB 4.47Å; Q151-L155 PolarHBondContact O-N 3.01Å; L155-P158 VanDerWaalsContact O-CD 3.22Å; L155-P158 WeakPolarHBondContact O-CD 3.39Å
156G82Confident90.2Very high37 Ų3717.4 Ų17.438%0.38112%0.115SC..THydrogen-bonded Turntrans-83.8-4.6179.100000115.6I154 P158I154-G156 VanDerWaalsContact C-N 3.29Å; I154-G156 PolarHBondContact O-N 3.1Å; G156-P158 VanDerWaalsContact C-CD 3.43Å
157I87.9Confident89.4Confident3 Ų316.9 Ų16.92%0.01511%0.113CC..Hα-helixtrans-72.7-32-176.1-72.9-178.2000115.9F24 L92 T95 L96 G153 I154 A159 H160 L161F24-I157 HydrophobicContact CD2-CB 4.09Å; F24-I157 HydrophobicContact CD2-CG2 3.54Å; F24-I157 HydrophobicContact CE2-CB 3.56Å; F24-I157 HydrophobicContact CE2-CG2 3.53Å; F24-I157 HydrophobicContact CG-CG2 4.15Å; F24-I157 HydrophobicContact CZ-CB 4.07Å; F24-I157 HydrophobicContact CZ-CG2 4.14Å; L92-I157 HydrophobicContact CD1-CD1 4.19Å; L92-I157 HydrophobicContact CD1-CG2 3.64Å; T95-I157 HydrophobicContact CG2-CD1 4.22Å; L96-I157 HydrophobicContact CB-CD1 4.34Å; L96-I157 HydrophobicContact CD1-CD1 4.31Å; G153-I157 WeakPolarHBondContact O-CD1 3.3Å; I154-I157 WeakPolarHBondContact O-CB 3.43Å; I154-I157 PolarHBondContact O-N 3.48Å; I157-A159 PolarHBondContact O-N 2.84Å; I157-H160 PolarHBondContact O-N 2.97Å; I157-L161 HydrophobicContact CG2-CB 3.77Å; I157-L161 HydrophobicContact CG2-CD2 4.33Å; I157-L161 WeakPolarHBondContact O-CB 3.25Å; I157-L161 PolarHBondContact O-N 3.02Å
158P88.5Confident88.4Confident11 Ų1121.8 Ų21.87%0.07114%0.143CC..Hα-helixtrans-50.2-51.8-167-27.931.7000115F24 L155 G156 L161 A162 T175 V179F24-P158 HydrophobicContact CE1-CB 4.32Å; F24-P158 HydrophobicContact CE1-CG 3.76Å; F24-P158 HydrophobicContact CZ-CG 3.76Å; L155-P158 VanDerWaalsContact O-CD 3.22Å; L155-P158 WeakPolarHBondContact O-CD 3.39Å; G156-P158 VanDerWaalsContact C-CD 3.43Å; P158-L161 PolarHBondContact O-N 3.38Å; P158-A162 WeakPolarHBondContact O-CB 3.44Å; P158-A162 PolarHBondContact O-N 2.94Å; P158-T175 HydrophobicContact CB-CG2 4.13Å; P158-V179 HydrophobicContact CB-CG2 4.2Å; P158-V179 HydrophobicContact CG-CG2 4.14Å
159A81Confident87.4Confident55 Ų5529.1 Ų29.146%0.45518%0.182SC..Hα-helixtrans-69.1-36.7-179.200000112.8I157 A163 T175I157-A159 PolarHBondContact O-N 2.84Å; A159-A163 WeakPolarHBondContact O-CB 3.49Å; A159-A163 PolarHBondContact O-N 3.33Å; A159-T175 HydrophobicContact CB-CG2 4.1Å
160H82.3Confident86.8Confident59 Ų5928.4 Ų28.427%0.27318%0.178SC..Hα-helixtrans-67.9-43176.8-174.1104.6000111.5L87 I157 V164L87-H160 HydrophobicContact CD2-CB 4.43Å; I157-H160 PolarHBondContact O-N 2.97Å; H160-V164 WeakPolarHBondContact O-CB 3.24Å; H160-V164 VanDerWaalsContact O-CG2 3.27Å; H160-V164 WeakPolarHBondContact O-CG2 3.14Å; H160-V164 PolarHBondContact O-N 2.97Å
161L87.9Confident86Confident0 Ų030.5 Ų30.50%019%0.19CC..Hα-helixtrans-61.7-46.6174.4168.564.5000111.4L21 F24 L92 I157 P158 V164 W165L21-L161 HydrophobicContact CD1-CD2 3.85Å; F24-L161 HydrophobicContact CB-CD2 3.4Å; F24-L161 VanDerWaalsContact CB-CD2 3.4Å; F24-L161 HydrophobicContact CD1-CD2 3.63Å; F24-L161 HydrophobicContact CD2-CD2 4.41Å; F24-L161 HydrophobicContact CG-CD2 3.51Å; L92-L161 HydrophobicContact CD1-CB 4.42Å; L92-L161 HydrophobicContact CD1-CD1 4.48Å; L92-L161 HydrophobicContact CD2-CD1 3.65Å; I157-L161 HydrophobicContact CG2-CB 3.77Å; I157-L161 HydrophobicContact CG2-CD2 4.33Å; I157-L161 WeakPolarHBondContact O-CB 3.25Å; I157-L161 PolarHBondContact O-N 3.02Å; P158-L161 PolarHBondContact O-N 3.38Å; L161-V164 PolarHBondContact O-N 3.35Å; L161-W165 HydrophobicContact CD1-CG 4.44Å; L161-W165 WeakPolarHBondContact O-CB 3.42Å; L161-W165 PolarHBondContact O-N 3.21Å; L161-W165 VanDerWaalsContact O-N 3.13Å
162A85.6Confident85Confident0 Ų034.2 Ų34.20%022%0.217CC..Hα-helixtrans-57.5-53.8176.300000110.8P158 V164 W165 F166 V171 A174 T175P158-A162 WeakPolarHBondContact O-CB 3.44Å; P158-A162 PolarHBondContact O-N 2.94Å; A162-V164 PolarHBondContact O-N 3.4Å; A162-W165 PolarHBondContact O-N 3.42Å; A162-F166 WeakPolarHBondContact O-CB 3.43Å; A162-F166 PolarHBondContact O-N 2.96Å; A162-V171 HydrophobicContact CB-CG1 3.93Å; A162-V171 WeakPolarHBondContact CB-O 3.49Å; A162-A174 HydrophobicContact CB-CB 3.79Å; A162-T175 WeakPolarHBondContact CB-OG1 3.49Å
163A81.3Confident84.6Confident37 Ų3737.4 Ų37.431%0.30624%0.236SC..Hα-helixtrans-56-46.7177.300000112.7A159 W165 Q261A159-A163 WeakPolarHBondContact O-CB 3.49Å; A159-A163 PolarHBondContact O-N 3.33Å; A163-W165 VanDerWaalsContact C-N 3.32Å; A163-W165 PolarHBondContact O-N 3.33Å; A163-Q261 PolarHBondContact O-NE2 2.72Å; A163-Q261 PolarHBondContact O-OE1 3.3Å
164V85.2Confident84.4Confident27 Ų2737 Ų3716%0.16423%0.233CC..Hα-helixtrans-71.2-22.4-175.4172.30000113.6H160 L161 A162 K252 P253H160-V164 WeakPolarHBondContact O-CB 3.24Å; H160-V164 VanDerWaalsContact O-CG2 3.27Å; H160-V164 WeakPolarHBondContact O-CG2 3.14Å; H160-V164 PolarHBondContact O-N 2.97Å; L161-V164 PolarHBondContact O-N 3.35Å; A162-V164 PolarHBondContact O-N 3.4Å; V164-K252 HydrophobicContact CG1-CB 3.88Å; V164-P253 WeakPolarHBondContact O-CD 3.46Å; V164-P253 WeakPolarHBondContact O-CG 3.32Å
165W88.1Confident84.1Confident8 Ų838.7 Ų38.73%0.0324%0.243CC..Hα-helixtrans-121.9-15.6-170.8-81.790.6000116.7R16 R17 L161 A162 A163 R250 A251 K252 P253R16-W165 HydrophobicContact CB-CZ3 4.18Å; R16-W165 HydrophobicContact CG-CH2 4.49Å; R16-W165 HydrophobicContact CG-CZ3 4.35Å; R17-W165 HydrophobicContact CB-CB 3.97Å; R17-W165 HydrophobicContact CB-CE3 4.03Å; R17-W165 WeakPolarHBondContact CB-O 3.42Å; R17-W165 VanDerWaalsContact CD-O 3.24Å; R17-W165 WeakPolarHBondContact CD-O 3.32Å; L161-W165 HydrophobicContact CD1-CG 4.44Å; L161-W165 WeakPolarHBondContact O-CB 3.42Å; L161-W165 PolarHBondContact O-N 3.21Å; L161-W165 VanDerWaalsContact O-N 3.13Å; A162-W165 PolarHBondContact O-N 3.42Å; A163-W165 VanDerWaalsContact C-N 3.32Å; A163-W165 PolarHBondContact O-N 3.33Å; W165-R250 HydrophobicContact CH2-CB 3.89Å; W165-R250 HydrophobicContact CZ2-CB 3.67Å; W165-R250 WeakPolarHBondContact CZ2-O 3.33Å; W165-A251 PolarHBondContact NE1-O 2.96Å; W165-K252 WeakPolarHBondContact CZ2-O 3.29Å; W165-P253 HydrophobicContact CE3-CB 4.15Å; W165-P253 HydrophobicContact CE3-CG 4.48Å; W165-P253 HydrophobicContact CH2-CB 4.4Å; W165-P253 HydrophobicContact CZ3-CB 3.98Å
166F89.6Confident84Confident1 Ų139 Ų390%0.00425%0.249CC..SBendtrans-119.4148.9-170.9-68.3-102000112R17 W18 L21 A162 E170 A174 P257R17-F166 HydrophobicContact CB-CD1 4.36Å; R17-F166 HydrophobicContact CB-CD2 4.2Å; R17-F166 HydrophobicContact CB-CE1 4.07Å; R17-F166 HydrophobicContact CB-CE2 3.88Å; R17-F166 HydrophobicContact CB-CG 4.43Å; R17-F166 HydrophobicContact CB-CZ 3.81Å; R17-F166 HydrophobicContact CG-CD1 3.91Å; R17-F166 HydrophobicContact CG-CE1 3.61Å; R17-F166 HydrophobicContact CG-CE2 4.35Å; R17-F166 HydrophobicContact CG-CG 4.42Å; R17-F166 HydrophobicContact CG-CZ 3.84Å; W18-F166 AromaticContact CD2-CE1 3.83Å; W18-F166 HydrophobicContact CD2-CE1 3.83Å; W18-F166 HydrophobicContact CD2-CZ 4.33Å; W18-F166 AromaticContact CE2-CE1 3.8Å; W18-F166 AromaticContact CE3-CE1 3.89Å; W18-F166 HydrophobicContact CE3-CE1 3.89Å; W18-F166 HydrophobicContact CE3-CZ 4.23Å; W18-F166 AromaticContact CH2-CE1 3.91Å; W18-F166 HydrophobicContact CH2-CE1 3.91Å; W18-F166 HydrophobicContact CZ2-CD1 4.39Å; W18-F166 AromaticContact CZ2-CE1 3.85Å; W18-F166 HydrophobicContact CZ2-CE1 3.85Å; W18-F166 AromaticContact CZ3-CE1 3.93Å; W18-F166 HydrophobicContact CZ3-CE1 3.93Å; L21-F166 HydrophobicContact CB-CE2 4.18Å; L21-F166 HydrophobicContact CB-CZ 3.86Å; L21-F166 HydrophobicContact CD2-CE1 4.36Å; L21-F166 HydrophobicContact CD2-CE2 4.36Å; L21-F166 HydrophobicContact CD2-CZ 3.7Å; L21-F166 HydrophobicContact CG-CZ 4.38Å; A162-F166 WeakPolarHBondContact O-CB 3.43Å; A162-F166 PolarHBondContact O-N 2.96Å; F166-E170 HydrophobicContact CB-CB 3.98Å; F166-E170 HydrophobicContact CD1-CB 3.96Å; F166-E170 HydrophobicContact CG-CB 4.46Å; F166-A174 HydrophobicContact CB-CB 4.35Å; F166-A174 HydrophobicContact CD1-CB 3.74Å; F166-A174 HydrophobicContact CD2-CB 3.69Å; F166-A174 HydrophobicContact CE1-CB 3.84Å; F166-A174 HydrophobicContact CE2-CB 3.81Å; F166-A174 HydrophobicContact CG-CB 3.65Å; F166-A174 HydrophobicContact CZ-CB 3.89Å; F166-P257 WeakPolarHBondContact O-CB 3.41Å
167G82.7Confident84.3Confident6 Ų640.6 Ų40.66%0.06225%0.249CC..  trans-71.3159.5175.500000111.3N169 E170 V171 P257G167-N169 PolarHBondContact O-N 2.82Å; G167-E170 WeakPolarHBondContact O-CA 3.35Å; G167-E170 WeakPolarHBondContact O-CB 3.49Å; G167-E170 PolarHBondContact O-N 2.83Å; G167-V171 PolarHBondContact O-N 2.75Å; G167-P257 WeakPolarHBondContact CA-O 3.4Å
168V76.7Confident84.4Confident104 Ų10440.5 Ų40.563%0.6325%0.248SC*.G310 helixtrans-46.2-44.9-173.2-174.80000112.9E170V168-E170 PolarHBondContact O-N 3.38Å
169N78.4Confident84.4Confident153 Ų15342.8 Ų42.882%0.81826%0.262SS*.G310 helixtrans-73.2-9-177.8-57.24.8000114.5G167G167-N169 PolarHBondContact O-N 2.82Å
170E85.3Confident84.8Confident44 Ų4442.2 Ų42.221%0.20625%0.249CC..G310 helixtrans-110.1-11.3-178.2-62.8179.7147.700112.9R17 F166 G167 V168 S172 T173 A174R17-E170 IonicContact CZ-OE1 3.27Å; R17-E170 IonicContact CZ-OE2 2.8Å; R17-E170 IonicContact NE-OE1 3.83Å; R17-E170 IonicContact NE-OE2 2.72Å; R17-E170 PolarHBondContact NE-OE2 2.91Å; R17-E170 IonicContact NH2-OE1 3.88Å; R17-E170 PolarHBondContact NH2-OE1 2.98Å; R17-E170 IonicContact NH2-OE2 3.22Å; R17-E170 PolarHBondContact NH2-OE2 3.28Å; F166-E170 HydrophobicContact CB-CB 3.98Å; F166-E170 HydrophobicContact CD1-CB 3.96Å; F166-E170 HydrophobicContact CG-CB 4.46Å; G167-E170 WeakPolarHBondContact O-CA 3.35Å; G167-E170 WeakPolarHBondContact O-CB 3.49Å; G167-E170 PolarHBondContact O-N 2.83Å; V168-E170 PolarHBondContact O-N 3.38Å; E170-S172 PolarHBondContact O-N 2.88Å; E170-T173 PolarHBondContact O-N 3.17Å; E170-A174 WeakPolarHBondContact O-CB 3.43Å; E170-A174 PolarHBondContact O-N 2.85Å
171V80.8Confident85.3Confident45 Ų4539.7 Ų39.727%0.27324%0.239SC..Hα-helixtrans-61.5-43.3-171.9173.30000112.5A162 G167 A174 T175A162-V171 HydrophobicContact CB-CG1 3.93Å; A162-V171 WeakPolarHBondContact CB-O 3.49Å; G167-V171 PolarHBondContact O-N 2.75Å; V171-A174 PolarHBondContact O-N 3.04Å; V171-T175 WeakPolarHBondContact O-CB 3.33Å; V171-T175 PolarHBondContact O-N 3Å; V171-T175 PolarHBondContact O-OG1 2.94Å
172S75.5Confident85.6Confident86 Ų8640.6 Ų40.660%0.60124%0.244SC*.Hα-helixtrans-63.9-47.6178.5520000111.5E170 A174 T175 A176E170-S172 PolarHBondContact O-N 2.88Å; S172-A174 PolarHBondContact O-N 3.38Å; S172-T175 PolarHBondContact O-N 2.93Å; S172-A176 WeakPolarHBondContact O-CB 3.34Å; S172-A176 PolarHBondContact O-N 2.86Å
173T84.9Confident86.1Confident72 Ų7241.6 Ų41.644%0.44225%0.249SC..Hα-helixtrans-60.2-44.7176.5-48.60000112.2E170 A176 L177E170-T173 PolarHBondContact O-N 3.17Å; T173-A176 PolarHBondContact O-N 3.15Å; T173-L177 HydrophobicContact CG2-CD1 4.15Å; T173-L177 WeakPolarHBondContact O-CB 3.34Å; T173-L177 WeakPolarHBondContact O-CG 3.5Å; T173-L177 PolarHBondContact O-N 2.9Å
174A87.8Confident86.8Confident0 Ų043.2 Ų43.20%025%0.252CS..Hα-helixtrans-65.4-38.2177.400000112.3L21 A162 F166 E170 V171 S172 G178L21-A174 HydrophobicContact CD2-CB 4.17Å; A162-A174 HydrophobicContact CB-CB 3.79Å; F166-A174 HydrophobicContact CB-CB 4.35Å; F166-A174 HydrophobicContact CD1-CB 3.74Å; F166-A174 HydrophobicContact CD2-CB 3.69Å; F166-A174 HydrophobicContact CE1-CB 3.84Å; F166-A174 HydrophobicContact CE2-CB 3.81Å; F166-A174 HydrophobicContact CG-CB 3.65Å; F166-A174 HydrophobicContact CZ-CB 3.89Å; E170-A174 WeakPolarHBondContact O-CB 3.43Å; E170-A174 PolarHBondContact O-N 2.85Å; V171-A174 PolarHBondContact O-N 3.04Å; S172-A174 PolarHBondContact O-N 3.38Å; A174-G178 PolarHBondContact O-N 3Å
175T86.4Confident87.4Confident34 Ų3441.9 Ų41.921%0.20924%0.244CC..Hα-helixtrans-64.5-48.7175.2-56.40000111P158 A159 A162 V171 S172 L177 G178 V179P158-T175 HydrophobicContact CB-CG2 4.13Å; A159-T175 HydrophobicContact CB-CG2 4.1Å; A162-T175 WeakPolarHBondContact CB-OG1 3.49Å; V171-T175 WeakPolarHBondContact O-CB 3.33Å; V171-T175 PolarHBondContact O-N 3Å; V171-T175 PolarHBondContact O-OG1 2.94Å; S172-T175 PolarHBondContact O-N 2.93Å; T175-L177 PolarHBondContact O-N 3.39Å; T175-G178 PolarHBondContact O-N 2.77Å; T175-G178 VanDerWaalsContact O-N 3.14Å; T175-V179 PolarHBondContact O-N 2.64Å
176A85.8Confident87.9Confident36 Ų3641.7 Ų41.730%0.29824%0.244SC..Hα-helixtrans-59.9-45.9178.600000112.2S172 T173 G178 V179 F180S172-A176 WeakPolarHBondContact O-CB 3.34Å; S172-A176 PolarHBondContact O-N 2.86Å; T173-A176 PolarHBondContact O-N 3.15Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.09Å; A176-V179 PolarHBondContact O-N 3.01Å; A176-V179 VanDerWaalsContact O-N 3.13Å; A176-F180 HydrophobicContact CB-CE2 4.07Å; A176-F180 HydrophobicContact CB-CZ 4.21Å; A176-F180 WeakPolarHBondContact O-CD2 3.42Å; A176-F180 VanDerWaalsContact O-CG 3.23Å; A176-F180 WeakPolarHBondContact O-CG 3.34Å; A176-F180 PolarHBondContact O-N 3.38Å
177L89.4Confident88.3Confident72 Ų7241.6 Ų41.638%0.37724%0.243SC..Hα-helixtrans-62-35.1175-72.8169.6000112.7W18 L21 C25 T173 T175 F180 G181W18-L177 HydrophobicContact CZ3-CD1 3.83Å; L21-L177 HydrophobicContact CD2-CB 4.09Å; L21-L177 HydrophobicContact CD2-CD1 4.22Å; C25-L177 PolarHBondContact SG-O 3.12Å; T173-L177 HydrophobicContact CG2-CD1 4.15Å; T173-L177 WeakPolarHBondContact O-CB 3.34Å; T173-L177 WeakPolarHBondContact O-CG 3.5Å; T173-L177 PolarHBondContact O-N 2.9Å; T175-L177 PolarHBondContact O-N 3.39Å; L177-F180 PolarHBondContact O-N 3.41Å; L177-G181 PolarHBondContact O-N 3.49Å
178G89.7Confident89Confident0 Ų045.3 Ų45.30%026%0.258CS..Hα-helixtrans-63.7-39.9172.500000113.1A174 T175 A176A174-G178 PolarHBondContact O-N 3Å; T175-G178 PolarHBondContact O-N 2.77Å; T175-G178 VanDerWaalsContact O-N 3.14Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.09Å
179V88Confident90Very high59 Ų5940.3 Ų40.336%0.35823%0.228SC..Hα-helixtrans-70.7-41.5174.9174.50000111.4P158 T175 A176 G181 N182 Q183P158-V179 HydrophobicContact CB-CG2 4.2Å; P158-V179 HydrophobicContact CG-CG2 4.14Å; T175-V179 PolarHBondContact O-N 2.64Å; A176-V179 PolarHBondContact O-N 3.01Å; A176-V179 VanDerWaalsContact O-N 3.13Å; V179-G181 VanDerWaalsContact C-N 3.26Å; V179-G181 PolarHBondContact O-N 3.32Å; V179-N182 WeakPolarHBondContact O-CA 3.2Å; V179-N182 WeakPolarHBondContact O-CB 3.43Å; V179-N182 PolarHBondContact O-N 3.24Å; V179-Q183 PolarHBondContact O-N 3.36Å; V179-Q183 VanDerWaalsContact O-N 3.13Å
180F89.3Confident90.9Very high43 Ų4333.1 Ų33.119%0.18919%0.189CC..Hα-helixtrans-65.3-28.5176.6-58.7-27.3000112.9A176 L177 N182 Q183 L184 I437 V441A176-F180 HydrophobicContact CB-CE2 4.07Å; A176-F180 HydrophobicContact CB-CZ 4.21Å; A176-F180 WeakPolarHBondContact O-CD2 3.42Å; A176-F180 VanDerWaalsContact O-CG 3.23Å; A176-F180 WeakPolarHBondContact O-CG 3.34Å; A176-F180 PolarHBondContact O-N 3.38Å; L177-F180 PolarHBondContact O-N 3.41Å; F180-N182 PolarHBondContact O-N 3.28Å; F180-Q183 PolarHBondContact O-N 2.97Å; F180-L184 WeakPolarHBondContact O-CB 3.38Å; F180-L184 VanDerWaalsContact O-CG 3.28Å; F180-L184 WeakPolarHBondContact O-CG 3.32Å; F180-L184 PolarHBondContact O-N 3.39Å; F180-I437 HydrophobicContact CD1-CG2 3.99Å; F180-I437 HydrophobicContact CE1-CG2 4.1Å; F180-I437 HydrophobicContact CG-CG2 4.36Å; F180-V441 HydrophobicContact CE1-CG2 4.36Å; F180-V441 HydrophobicContact CE2-CG2 4.05Å; F180-V441 HydrophobicContact CZ-CG2 3.48Å; F180-V441 VanDerWaalsContact CZ-CG2 3.48Å
181G93.1Very high91.4Very high6 Ų632.1 Ų32.16%0.06219%0.185CC..Hα-helixtrans-56.2-37.8167.800000112.7F29 L177 V179 G185F29-G181 WeakPolarHBondContact CA-O 3.48Å; F29-G181 WeakPolarHBondContact CB-O 3.48Å; F29-G181 PolarHBondContact N-O 3.12Å; L177-G181 PolarHBondContact O-N 3.49Å; V179-G181 VanDerWaalsContact C-N 3.26Å; V179-G181 PolarHBondContact O-N 3.32Å; G181-G185 PolarHBondContact O-N 2.99Å
182N94.8Very high92.2Very high19 Ų1931 Ų3110%0.10218%0.179CC..Hα-helixtrans-68.9-54.4173.5-156.9-96.6000111.2S28 A32 V179 F180 L184 G185 V186S28-N182 WeakPolarHBondContact OG-CB 3.37Å; S28-N182 PolarHBondContact OG-ND2 3.29Å; A32-N182 WeakPolarHBondContact CB-O 3.49Å; V179-N182 WeakPolarHBondContact O-CA 3.2Å; V179-N182 WeakPolarHBondContact O-CB 3.43Å; V179-N182 PolarHBondContact O-N 3.24Å; F180-N182 PolarHBondContact O-N 3.28Å; N182-L184 VanDerWaalsContact C-N 3.31Å; N182-L184 PolarHBondContact O-N 3.4Å; N182-G185 WeakPolarHBondContact O-CA 3.23Å; N182-G185 PolarHBondContact O-N 3.23Å; N182-V186 PolarHBondContact O-N 3.26Å
183Q95Very high93.2Very high22 Ų2227 Ų2710%0.10315%0.15CC..Hα-helixtrans-58.9-38.9-177-64.7-63.491.200112.8V179 F180 G185 V186 A187 Y404 I433 I437V179-Q183 PolarHBondContact O-N 3.36Å; V179-Q183 VanDerWaalsContact O-N 3.13Å; F180-Q183 PolarHBondContact O-N 2.97Å; Q183-G185 VanDerWaalsContact C-N 3.3Å; Q183-G185 PolarHBondContact O-N 3.41Å; Q183-V186 PolarHBondContact O-N 3.2Å; Q183-A187 PolarHBondContact O-N 3.41Å; Q183-Y404 PolarHBondContact NE2-OH 3.05Å; Q183-I433 HydrophobicContact CB-CG2 4.31Å; Q183-I433 WeakPolarHBondContact O-CG2 3.42Å; Q183-I437 HydrophobicContact CB-CD1 3.78Å; Q183-I437 HydrophobicContact CB-CG1 3.7Å; Q183-I437 HydrophobicContact CG-CG1 4.29Å
184L96.7Very high93.7Very high70 Ų7023.7 Ų23.737%0.36613%0.13SC..Hα-helixtrans-64.6-34.2174.4-71.1171.2000112.1F29 F180 N182 A187 F188 I434 I437F29-L184 HydrophobicContact CD2-CB 3.84Å; F29-L184 VanDerWaalsContact CE2-C 3.47Å; F29-L184 HydrophobicContact CE2-CB 3.92Å; F29-L184 WeakPolarHBondContact CE2-O 3.12Å; F180-L184 WeakPolarHBondContact O-CB 3.38Å; F180-L184 VanDerWaalsContact O-CG 3.28Å; F180-L184 WeakPolarHBondContact O-CG 3.32Å; F180-L184 PolarHBondContact O-N 3.39Å; N182-L184 VanDerWaalsContact C-N 3.31Å; N182-L184 PolarHBondContact O-N 3.4Å; L184-A187 PolarHBondContact O-N 2.88Å; L184-F188 VanDerWaalsContact O-CD2 3.31Å; L184-F188 WeakPolarHBondContact O-CD2 3.47Å; L184-F188 PolarHBondContact O-N 3.21Å; L184-I434 HydrophobicContact CD2-CD1 4.35Å; L184-I437 HydrophobicContact CD2-CD1 3.98Å; L184-I437 HydrophobicContact CG-CD1 4.24Å
185G97.7Very high94Very high0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-66-41.817300000112.5F29 Y33 G181 N182 Q183 F188 G189F29-G185 VanDerWaalsContact CD2-CA 3.47Å; F29-G185 WeakPolarHBondContact O-CA 2.88Å; Y33-G185 WeakPolarHBondContact CA-O 3.44Å; Y33-G185 PolarHBondContact N-O 3.47Å; G181-G185 PolarHBondContact O-N 2.99Å; N182-G185 WeakPolarHBondContact O-CA 3.23Å; N182-G185 PolarHBondContact O-N 3.23Å; Q183-G185 VanDerWaalsContact C-N 3.3Å; Q183-G185 PolarHBondContact O-N 3.41Å; G185-F188 PolarHBondContact O-N 2.91Å; G185-G189 PolarHBondContact O-N 2.7Å
186V97.7Very high94.5Very high3 Ų328.9 Ų28.92%0.01816%0.155CC..Hα-helixtrans-61.1-46.9172.7-170.70000110.3A32 W35 I36 N182 Q183 F188 G189 F190 I433A32-V186 HydrophobicContact CB-CG2 3.79Å; W35-V186 HydrophobicContact CE3-CG1 4.39Å; W35-V186 HydrophobicContact CE3-CG2 4.15Å; W35-V186 HydrophobicContact CZ3-CG1 3.97Å; W35-V186 HydrophobicContact CZ3-CG2 4.04Å; I36-V186 HydrophobicContact CG2-CG1 4.09Å; N182-V186 PolarHBondContact O-N 3.26Å; Q183-V186 PolarHBondContact O-N 3.2Å; V186-F188 PolarHBondContact O-N 2.98Å; V186-G189 CarbonylContact O-C 3.45Å; V186-G189 WeakPolarHBondContact O-CA 3.37Å; V186-G189 PolarHBondContact O-N 3.36Å; V186-F190 HydrophobicContact CG1-CD2 3.96Å; V186-F190 HydrophobicContact CG1-CE2 3.65Å; V186-F190 VanDerWaalsContact O-CD2 3.3Å; V186-F190 WeakPolarHBondContact O-CD2 3.49Å; V186-F190 PolarHBondContact O-N 3.39Å; V186-I433 HydrophobicContact CB-CG1 4.43Å; V186-I433 HydrophobicContact CB-CG2 4.31Å; V186-I433 HydrophobicContact CG1-CD1 3.78Å; V186-I433 HydrophobicContact CG1-CG1 3.92Å
187A97.9Very high94.9Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-58.3-46.517800000112.3Q183 L184 G189 F190 L191 F430 I433 I434Q183-A187 PolarHBondContact O-N 3.41Å; L184-A187 PolarHBondContact O-N 2.88Å; A187-G189 VanDerWaalsContact C-N 3.28Å; A187-G189 PolarHBondContact O-N 3.13Å; A187-F190 PolarHBondContact O-N 3.47Å; A187-L191 WeakPolarHBondContact O-CB 3.39Å; A187-L191 PolarHBondContact O-N 2.93Å; A187-F430 HydrophobicContact CB-CD2 3.86Å; A187-F430 HydrophobicContact CB-CE2 4.1Å; A187-I433 HydrophobicContact CB-CB 4.01Å; A187-I433 HydrophobicContact CB-CG2 3.81Å; A187-I434 HydrophobicContact CB-CD1 4.01Å; A187-I434 HydrophobicContact CB-CG1 4.43Å
188F97.7Very high95.1Very high83 Ų8325.7 Ų25.736%0.36414%0.135SC..Hα-helixtrans-67.2-29.6174.7-86.7-116.2000112.4F29 Y33 L184 G185 V186 F190 L191 V192F29-F188 HydrophobicContact CE1-CB 4.36Å; F29-F188 HydrophobicContact CE2-CB 4.25Å; F29-F188 AromaticContact CE2-CD2 3.91Å; F29-F188 HydrophobicContact CE2-CD2 3.91Å; F29-F188 HydrophobicContact CE2-CE2 4.41Å; F29-F188 HydrophobicContact CE2-CG 4.01Å; F29-F188 HydrophobicContact CZ-CB 3.65Å; F29-F188 AromaticContact CZ-CD1 3.78Å; F29-F188 HydrophobicContact CZ-CD1 3.78Å; F29-F188 AromaticContact CZ-CD2 3.87Å; F29-F188 HydrophobicContact CZ-CD2 3.87Å; F29-F188 HydrophobicContact CZ-CE1 4.38Å; F29-F188 HydrophobicContact CZ-CE2 4.46Å; F29-F188 AromaticContact CZ-CG 3.49Å; F29-F188 HydrophobicContact CZ-CG 3.49Å; F29-F188 VanDerWaalsContact CZ-CG 3.49Å; Y33-F188 HydrophobicContact CD2-CB 4.22Å; Y33-F188 WeakPolarHBondContact CE2-O 3.31Å; L184-F188 VanDerWaalsContact O-CD2 3.31Å; L184-F188 WeakPolarHBondContact O-CD2 3.47Å; L184-F188 PolarHBondContact O-N 3.21Å; G185-F188 PolarHBondContact O-N 2.91Å; V186-F188 PolarHBondContact O-N 2.98Å; F188-F190 VanDerWaalsContact C-N 3.33Å; F188-L191 PolarHBondContact O-N 3.29Å; F188-V192 HydrophobicContact CB-CG2 4.35Å; F188-V192 HydrophobicContact CD1-CG2 3.86Å; F188-V192 HydrophobicContact CG-CG2 4.47Å; F188-V192 WeakPolarHBondContact O-CB 3.42Å; F188-V192 WeakPolarHBondContact O-CG2 3.26Å; F188-V192 PolarHBondContact O-N 2.96Å
189G98.1Very high95.1Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-63.2-36.9171.700000112.7H37 I40 G185 V186 A187 P193H37-G189 WeakPolarHBondContact CA-O 3.44Å; I40-G189 WeakPolarHBondContact CG2-O 3.43Å; G185-G189 PolarHBondContact O-N 2.7Å; V186-G189 CarbonylContact O-C 3.45Å; V186-G189 WeakPolarHBondContact O-CA 3.37Å; V186-G189 PolarHBondContact O-N 3.36Å; A187-G189 VanDerWaalsContact C-N 3.28Å; A187-G189 PolarHBondContact O-N 3.13Å; G189-P193 WeakPolarHBondContact O-CD 3.2Å; G189-P193 WeakPolarHBondContact O-CG 3.34Å
190F97.5Very high95.2Very high2 Ų225.6 Ų25.61%0.00914%0.137CC..Hα-helixtrans-72.5-38.3170.6-79.3-74.7000113.2I36 I40 V186 A187 F188 P194 G408 L411 G426 F430 I433I36-F190 HydrophobicContact CD1-CZ 4.18Å; I36-F190 HydrophobicContact CG1-CD2 4.46Å; I36-F190 HydrophobicContact CG1-CE1 4.1Å; I36-F190 HydrophobicContact CG1-CE2 3.85Å; I36-F190 HydrophobicContact CG1-CZ 3.63Å; I36-F190 HydrophobicContact CG2-CD2 4.42Å; I36-F190 HydrophobicContact CG2-CE2 4.46Å; I40-F190 HydrophobicContact CB-CD1 4.08Å; I40-F190 HydrophobicContact CB-CE1 4.49Å; I40-F190 HydrophobicContact CD1-CD1 3.56Å; I40-F190 HydrophobicContact CD1-CE1 3.9Å; I40-F190 HydrophobicContact CG1-CD1 3.66Å; I40-F190 HydrophobicContact CG1-CE1 4.33Å; V186-F190 HydrophobicContact CG1-CD2 3.96Å; V186-F190 HydrophobicContact CG1-CE2 3.65Å; V186-F190 VanDerWaalsContact O-CD2 3.3Å; V186-F190 WeakPolarHBondContact O-CD2 3.49Å; V186-F190 PolarHBondContact O-N 3.39Å; A187-F190 PolarHBondContact O-N 3.47Å; F188-F190 VanDerWaalsContact C-N 3.33Å; F190-P194 VanDerWaalsContact O-CD 3.31Å; F190-P194 WeakPolarHBondContact O-CD 3.3Å; F190-G408 WeakPolarHBondContact CE1-O 3.28Å; F190-G408 WeakPolarHBondContact CZ-O 3.36Å; F190-L411 HydrophobicContact CD1-CD2 4.36Å; F190-L411 HydrophobicContact CE1-CB 4.42Å; F190-L411 HydrophobicContact CE1-CD2 4.01Å; F190-G426 CarbonylContact O-C 3.37Å; F190-G426 WeakPolarHBondContact O-CA 3.46Å; F190-F430 HydrophobicContact CB-CB 4.43Å; F190-I433 HydrophobicContact CD2-CD1 4.32Å; F190-I433 HydrophobicContact CD2-CG1 3.67Å; F190-I433 HydrophobicContact CE2-CD1 3.87Å; F190-I433 HydrophobicContact CE2-CG1 3.74Å
191L96.3Very high95.1Very high22 Ų2225.9 Ų25.912%0.11514%0.143CC..Hα-helixtrans-83.2-47.7-169.3-179.561.6000114.5A187 F188 L195 W427 F430A187-L191 WeakPolarHBondContact O-CB 3.39Å; A187-L191 PolarHBondContact O-N 2.93Å; F188-L191 PolarHBondContact O-N 3.29Å; L191-L195 HydrophobicContact CD1-CD1 3.69Å; L191-L195 HydrophobicContact CD1-CG 4.41Å; L191-L195 HydrophobicContact CG-CD1 3.9Å; L191-L195 WeakPolarHBondContact O-CD1 3.22Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-W427 HydrophobicContact CD1-CD2 3.76Å; L191-W427 HydrophobicContact CD1-CE3 3.7Å; L191-W427 HydrophobicContact CD1-CH2 3.58Å; L191-W427 HydrophobicContact CD1-CZ2 3.62Å; L191-W427 HydrophobicContact CD1-CZ3 3.61Å; L191-F430 HydrophobicContact CB-CB 4.31Å; L191-F430 HydrophobicContact CB-CD2 3.81Å; L191-F430 HydrophobicContact CB-CE2 4.48Å; L191-F430 HydrophobicContact CB-CG 4.26Å; L191-F430 HydrophobicContact CD1-CG 4.45Å; L191-F430 HydrophobicContact CD2-CD2 3.86Å; L191-F430 HydrophobicContact CD2-CE2 3.73Å; L191-F430 HydrophobicContact CD2-CG 4.42Å; L191-F430 HydrophobicContact CD2-CZ 4.19Å; L191-F430 HydrophobicContact CG-CD2 4.31Å
192V96.5Very high94.6Very high23 Ų2328.4 Ų28.414%0.13915%0.151CC..SBendtrans-72.6-45.3-166.8175.70000113.3Y33 F188 L195 I196 F233Y33-V192 HydrophobicContact CE2-CB 4.13Å; F188-V192 HydrophobicContact CB-CG2 4.35Å; F188-V192 HydrophobicContact CD1-CG2 3.86Å; F188-V192 HydrophobicContact CG-CG2 4.47Å; F188-V192 WeakPolarHBondContact O-CB 3.42Å; F188-V192 WeakPolarHBondContact O-CG2 3.26Å; F188-V192 PolarHBondContact O-N 2.96Å; V192-L195 PolarHBondContact O-N 3.28Å; V192-I196 HydrophobicContact CG1-CD1 3.5Å; V192-I196 HydrophobicContact CG1-CG1 4.18Å; V192-I196 PolarHBondContact O-N 2.99Å; V192-F233 HydrophobicContact CG1-CD1 4.38Å; V192-F233 HydrophobicContact CG1-CE1 4.1Å
193P97.2Very high93.8Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-59.1-48.3-177.2-21.832.4000114.1H37 I40 I41 G189 L195 I196 L197 M230H37-P193 HydrophobicContact CB-CG 3.73Å; H37-P193 VanDerWaalsContact O-CG 3.27Å; H37-P193 WeakPolarHBondContact O-CG 3.38Å; I40-P193 HydrophobicContact CG2-CB 4.31Å; I40-P193 HydrophobicContact CG2-CG 4.19Å; I41-P193 HydrophobicContact CD1-CB 4.04Å; I41-P193 HydrophobicContact CG1-CB 4.31Å; I41-P193 HydrophobicContact CG2-CB 3.75Å; G189-P193 WeakPolarHBondContact O-CD 3.2Å; G189-P193 WeakPolarHBondContact O-CG 3.34Å; P193-L195 PolarHBondContact O-N 3.19Å; P193-I196 PolarHBondContact O-N 3.33Å; P193-I196 VanDerWaalsContact O-N 3.16Å; P193-L197 PolarHBondContact O-N 2.86Å; P193-M230 HydrophobicContact CB-SD 3.62Å; P193-M230 HydrophobicContact CG-SD 3.99Å
194P94.9Very high92.7Very high4 Ų432.9 Ų32.93%0.02619%0.186CC..Hα-helixtrans-75.9-0.1-179.9-16.534.4000114.9I40 I41 F190 T423I40-P194 HydrophobicContact CG1-CG 4.05Å; I40-P194 HydrophobicContact CG2-CG 4.19Å; I41-P194 HydrophobicContact CG2-CB 4.42Å; I41-P194 HydrophobicContact CG2-CG 3.8Å; F190-P194 VanDerWaalsContact O-CD 3.31Å; F190-P194 WeakPolarHBondContact O-CD 3.3Å; P194-T423 WeakPolarHBondContact O-CB 3.23Å; P194-T423 VanDerWaalsContact O-CG2 3.29Å; P194-T423 WeakPolarHBondContact O-CG2 3.34Å; P194-T423 PolarHBondContact O-OG1 3.41Å
195L94.3Very high91.1Very high98 Ų9836.1 Ų36.151%0.51320%0.204SC..Hα-helixtrans-97-25168.6-72.9176.8000112.9L191 V192 P193 T423 W427L191-L195 HydrophobicContact CD1-CD1 3.69Å; L191-L195 HydrophobicContact CD1-CG 4.41Å; L191-L195 HydrophobicContact CG-CD1 3.9Å; L191-L195 WeakPolarHBondContact O-CD1 3.22Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; V192-L195 PolarHBondContact O-N 3.28Å; P193-L195 PolarHBondContact O-N 3.19Å; L195-T423 HydrophobicContact CD2-CG2 4.23Å; L195-W427 HydrophobicContact CD1-CZ2 4.29Å; L195-W427 HydrophobicContact CD2-CZ2 4.28Å
196I95.7Very high89.1Confident44 Ų4439.5 Ų39.523%0.22624%0.239CC..Hα-helixtrans-91.1-39.9179.4-67.1179.7000111.1V192 P193 Y226 I229 M230V192-I196 HydrophobicContact CG1-CD1 3.5Å; V192-I196 HydrophobicContact CG1-CG1 4.18Å; V192-I196 PolarHBondContact O-N 2.99Å; P193-I196 PolarHBondContact O-N 3.33Å; P193-I196 VanDerWaalsContact O-N 3.16Å; I196-Y226 HydrophobicContact CG2-CD1 4.05Å; I196-Y226 WeakPolarHBondContact O-CB 3.34Å; I196-Y226 WeakPolarHBondContact O-CD1 3.27Å; I196-I229 HydrophobicContact CG2-CG2 4.29Å; I196-M230 HydrophobicContact CG2-CB 4.34Å
197L95.8Very high87.3Confident9 Ų942.2 Ų42.25%0.04726%0.256CS..SBendtrans-88.1140-174-74.8159.4000112.5I41 I44 P193 M227 M230I41-L197 HydrophobicContact CB-CD1 4.47Å; I41-L197 HydrophobicContact CD1-CD1 3.33Å; I41-L197 HydrophobicContact CG1-CD1 4.46Å; I41-L197 HydrophobicContact CG2-CD1 4.24Å; I44-L197 HydrophobicContact CD1-CB 3.92Å; I44-L197 HydrophobicContact CD1-CD1 4.46Å; I44-L197 HydrophobicContact CG2-CD1 4.15Å; I44-L197 HydrophobicContact CG2-CD2 4.13Å; P193-L197 PolarHBondContact O-N 2.86Å; L197-M227 HydrophobicContact CD1-CE 3.92Å; L197-M227 HydrophobicContact CD1-SD 4.37Å; L197-M227 HydrophobicContact CD2-CB 3.97Å; L197-M227 HydrophobicContact CD2-CE 4.12Å; L197-M230 HydrophobicContact CD1-SD 3.97Å
198P92.9Very high85.7Confident32 Ų3247.7 Ų47.721%0.20829%0.285CS..PPolyproline II helixtrans-70.2138.3171.630.2-33.7000110.7V223 Y226P198-V223 HydrophobicContact CG-CG2 3.88Å; P198-Y226 HydrophobicContact CG-CD2 4.48Å
199S89.8Confident84.6Confident50 Ų5049.7 Ų49.735%0.3530%0.295SS..PPolyproline II helixtrans-62.6146.2172.2-55.80000111.6S422S199-S422 PolarHBondContact OG-OG 2.96Å
200I89.9Confident83.9Confident8 Ų850.9 Ų50.94%0.04130%0.302CS..PPolyproline II helixtrans-76126.7174.9-54.5-54.6000109.7I44 F47 Y202 L210 V223I44-I200 HydrophobicContact CG1-CD1 4.07Å; I44-I200 HydrophobicContact CG1-CG1 3.87Å; F47-I200 HydrophobicContact CB-CD1 3.9Å; F47-I200 HydrophobicContact CB-CG1 4.17Å; F47-I200 HydrophobicContact CD1-CD1 3.59Å; F47-I200 HydrophobicContact CD2-CD1 4.36Å; F47-I200 HydrophobicContact CE1-CD1 4.21Å; F47-I200 HydrophobicContact CG-CD1 3.68Å; F47-I200 HydrophobicContact CG-CG1 4.4Å; I200-Y202 HydrophobicContact CB-CD2 4.22Å; I200-Y202 HydrophobicContact CB-CE2 3.67Å; I200-Y202 HydrophobicContact CG2-CD1 4.24Å; I200-Y202 HydrophobicContact CG2-CD2 4.25Å; I200-Y202 HydrophobicContact CG2-CE1 3.78Å; I200-Y202 HydrophobicContact CG2-CE2 3.81Å; I200-Y202 HydrophobicContact CG2-CG 4.45Å; I200-Y202 PolarHBondContact O-N 3.45Å; I200-L210 HydrophobicContact CG2-CD2 3.43Å; I200-L210 VanDerWaalsContact CG2-CD2 3.43Å; I200-V223 HydrophobicContact CD1-CG2 4.16Å
201P88.5Confident83.3Confident48 Ų4853.8 Ų53.831%0.31232%0.317SS..  trans-78.684.2-179.332.2-34.6000110.7L210 D211 T214 L219P201-L210 HydrophobicContact CG-CD2 4.34Å; P201-L210 CarbonylContact O-C 3.58Å; P201-L210 WeakPolarHBondContact O-CA 3.34Å; P201-D211 PolarHBondContact O-N 3.09Å; P201-T214 HydrophobicContact CG-CG2 3.83Å; P201-L219 HydrophobicContact CG-CD2 4.07Å
202Y82.5Confident82.7Confident59 Ų5958.6 Ų58.623%0.23135%0.35CS..BIsolated β-bridgetrans-77.1146.8173.6-65.5-67.2000112.4D43 I200 N208 Q209D43-Y202 HydrophobicContact CB-CE2 4.25Å; I200-Y202 HydrophobicContact CB-CD2 4.22Å; I200-Y202 HydrophobicContact CB-CE2 3.67Å; I200-Y202 HydrophobicContact CG2-CD1 4.24Å; I200-Y202 HydrophobicContact CG2-CD2 4.25Å; I200-Y202 HydrophobicContact CG2-CE1 3.78Å; I200-Y202 HydrophobicContact CG2-CE2 3.81Å; I200-Y202 HydrophobicContact CG2-CG 4.45Å; I200-Y202 PolarHBondContact O-N 3.45Å; Y202-N208 HydrophobicContact CE1-CB 4.46Å; Y202-Q209 WeakPolarHBondContact CA-O 3.38Å
203S77.2Confident82.3Confident20 Ų2062.4 Ų62.414%0.1438%0.377CS..  trans-63.2137.7176.1-173.30000112N205 G206 Q209S203-N205 PolarHBondContact O-N 3.13Å; S203-N205 VanDerWaalsContact O-N 3.08Å; S203-G206 PolarHBondContact O-N 3.38Å; S203-Q209 PolarHBondContact N-O 3.21Å
204S71.2Confident81.9Confident115 Ų11563.9 Ų63.980%0.80439%0.386SS*.THydrogen-bonded Turntrans-62.3-13.8175.651.90000114.3G206S204-G206 PolarHBondContact O-N 2.82Å
205N64.6Low81.7Confident138 Ų13867.9 Ų67.974%0.73841%0.408SS*.THydrogen-bonded Turntrans-74.91.6179.6-68.3-22.7000114.4S203 T207S203-N205 PolarHBondContact O-N 3.13Å; S203-N205 VanDerWaalsContact O-N 3.08Å; N205-T207 PolarHBondContact O-N 3.34Å
206G55.8Low81.3Confident71 Ų7165.3 Ų65.373%0.73240%0.396SS*.SBendtrans81.48.1169.900000115.6S203 S204S203-G206 PolarHBondContact O-N 3.38Å; S204-G206 PolarHBondContact O-N 2.82Å
207T58.2Low81Confident61 Ų6166.9 Ų66.937%0.37441%0.405SS..SBendtrans-87.5147.5162.251.10000109.6N205 Q209N205-T207 PolarHBondContact O-N 3.34Å; T207-Q209 VanDerWaalsContact CB-OE1 3.31Å; T207-Q209 PolarHBondContact O-N 3.24Å; T207-Q209 PolarHBondContact OG1-OE1 3.22Å
208N64.4Low80.8Confident114 Ų11473 Ų7361%0.6143%0.433SS*.SBendtrans-73.834.8172.8-66.9-15.9000112.4Y202Y202-N208 HydrophobicContact CE1-CB 4.46Å
209Q75.3Confident80.8Confident125 Ų12572.4 Ų72.458%0.58443%0.428SS*.PPolyproline II helixtrans-92.9144.5176.3-68.8168.6-40.700108.7Y202 S203 T207Y202-Q209 WeakPolarHBondContact CA-O 3.38Å; S203-Q209 PolarHBondContact N-O 3.21Å; T207-Q209 VanDerWaalsContact CB-OE1 3.31Å; T207-Q209 PolarHBondContact O-N 3.24Å; T207-Q209 PolarHBondContact OG1-OE1 3.22Å
210L82.9Confident80.9Confident26 Ų2670.4 Ų70.414%0.13641%0.413CS..BIsolated β-bridgetrans-61.6152.7171.1-65.4168.7000110.2F47 F122 I200 P201 V216 L219F47-L210 HydrophobicContact CE2-CD1 4.21Å; F122-L210 HydrophobicContact CD1-CD1 3.84Å; F122-L210 HydrophobicContact CD1-CG 4.11Å; F122-L210 HydrophobicContact CE1-CD1 4.26Å; F122-L210 HydrophobicContact CE1-CD2 4.5Å; F122-L210 HydrophobicContact CE1-CG 4.01Å; I200-L210 HydrophobicContact CG2-CD2 3.43Å; I200-L210 VanDerWaalsContact CG2-CD2 3.43Å; P201-L210 HydrophobicContact CG-CD2 4.34Å; P201-L210 CarbonylContact O-C 3.58Å; P201-L210 WeakPolarHBondContact O-CA 3.34Å; L210-V216 HydrophobicContact CD1-CB 4.43Å; L210-V216 HydrophobicContact CD1-CG1 3.84Å; L210-V216 HydrophobicContact CD1-CG2 3.84Å; L210-L219 HydrophobicContact CD2-CD2 3.93Å
211D85Confident81.1Confident62 Ų6275 Ų7533%0.33244%0.438SS..PPolyproline II helixtrans-55.2126.2165.5-174.2-57.1000108.9P201 S213 T214P201-D211 PolarHBondContact O-N 3.09Å; D211-S213 PolarHBondContact O-N 3.46Å; D211-S213 WeakPolarHBondContact OD1-CB 3.41Å; D211-S213 PolarHBondContact OD1-N 2.83Å; D211-S213 PolarHBondContact OD1-OG 3.17Å; D211-T214 WeakPolarHBondContact O-CB 3.27Å; D211-T214 PolarHBondContact O-N 2.94Å; D211-T214 PolarHBondContact O-OG1 3.2Å
212P83.8Confident81.4Confident124 Ų12476 Ų7681%0.80544%0.44SS*.THydrogen-bonded Turntrans-58.5-14.3-177.5-26.935.8000115.8T214P212-T214 VanDerWaalsContact C-N 3.34Å
213S88.6Confident82Confident102 Ų10273.2 Ų73.271%0.71343%0.429SS*.THydrogen-bonded Turntrans-83.7-5.3173.366.70000114.3D211 D215D211-S213 PolarHBondContact O-N 3.46Å; D211-S213 WeakPolarHBondContact OD1-CB 3.41Å; D211-S213 PolarHBondContact OD1-N 2.83Å; D211-S213 PolarHBondContact OD1-OG 3.17Å; S213-D215 PolarHBondContact O-N 2.84Å
214T88.8Confident82.9Confident31 Ų3173.9 Ų73.919%0.1943%0.43CS..  trans-74.2118.9-176.6-53.10000111.9P201 D211 P212 V216 L219P201-T214 HydrophobicContact CG-CG2 3.83Å; D211-T214 WeakPolarHBondContact O-CB 3.27Å; D211-T214 PolarHBondContact O-N 2.94Å; D211-T214 PolarHBondContact O-OG1 3.2Å; P212-T214 VanDerWaalsContact C-N 3.34Å; T214-V216 PolarHBondContact O-N 3.14Å; T214-L219 HydrophobicContact CG2-CB 4.12Å; T214-L219 HydrophobicContact CG2-CD2 3.83Å
215D90.2Very high84.1Confident89 Ų8973.9 Ų73.948%0.47642%0.417SS..  trans-68101.2158.7-177.4-21.9000108.7S213 N217 Q218 L219S213-D215 PolarHBondContact O-N 2.84Å; D215-N217 PolarHBondContact O-N 3.02Å; D215-N217 WeakPolarHBondContact OD1-CA 3.41Å; D215-N217 WeakPolarHBondContact OD1-CB 3.15Å; D215-N217 PolarHBondContact OD1-N 3.26Å; D215-Q218 HydrophobicContact CB-CB 3.83Å; D215-Q218 PolarHBondContact O-N 3.47Å; D215-Q218 PolarHBondContact OD1-N 3.48Å; D215-L219 WeakPolarHBondContact O-CB 3.32Å; D215-L219 PolarHBondContact O-N 3.36Å
216V87.1Confident85.7Confident44 Ų4471.7 Ų71.727%0.26740%0.399SS..Hα-helixtrans-63.4-31.7-177.9-164.80000111.5F47 T120 L210 T214 F220F47-V216 HydrophobicContact CE2-CG1 4.14Å; F47-V216 HydrophobicContact CZ-CG1 4.41Å; T120-V216 HydrophobicContact CG2-CG1 4Å; L210-V216 HydrophobicContact CD1-CB 4.43Å; L210-V216 HydrophobicContact CD1-CG1 3.84Å; L210-V216 HydrophobicContact CD1-CG2 3.84Å; T214-V216 PolarHBondContact O-N 3.14Å; V216-F220 VanDerWaalsContact O-CB 3.3Å; V216-F220 WeakPolarHBondContact O-CB 3.3Å; V216-F220 PolarHBondContact O-N 3.47Å
217N88.6Confident87.7Confident76 Ų7668.3 Ų68.341%0.40636%0.364SS..Hα-helixtrans-76.3-38.9179.6-69.1-15.2000111T120 D215 N221T120-N217 PolarHBondContact OG1-OD1 3.05Å; D215-N217 PolarHBondContact O-N 3.02Å; D215-N217 WeakPolarHBondContact OD1-CA 3.41Å; D215-N217 WeakPolarHBondContact OD1-CB 3.15Å; D215-N217 PolarHBondContact OD1-N 3.26Å; N217-N221 WeakPolarHBondContact O-CB 3.32Å; N217-N221 PolarHBondContact O-N 2.94Å; N217-N221 PolarHBondContact O-ND2 3.46Å
218Q92.2Very high89.5Confident138 Ų13866.2 Ų66.265%0.64535%0.35SS*.Hα-helixtrans-63.7-45.8170.6-169-177.813.300110.8D215 F220 N221 N222D215-Q218 HydrophobicContact CB-CB 3.83Å; D215-Q218 PolarHBondContact O-N 3.47Å; D215-Q218 PolarHBondContact OD1-N 3.48Å; Q218-F220 PolarHBondContact O-N 2.91Å; Q218-N221 PolarHBondContact O-N 2.73Å; Q218-N222 WeakPolarHBondContact O-CB 3.44Å; Q218-N222 PolarHBondContact O-N 3.1Å
219L92.8Very high91.1Very high19 Ų1964.2 Ų64.210%0.09934%0.339CS..Hα-helixtrans-58.9-47.2176.1177.564000111.5F47 P201 L210 T214 D215 N222 V223F47-L219 HydrophobicContact CE1-CD2 4.23Å; F47-L219 HydrophobicContact CE1-CG 4.02Å; F47-L219 HydrophobicContact CE2-CD2 3.86Å; F47-L219 HydrophobicContact CE2-CG 4.44Å; F47-L219 HydrophobicContact CZ-CB 4.33Å; F47-L219 HydrophobicContact CZ-CD2 3.61Å; F47-L219 HydrophobicContact CZ-CG 3.69Å; P201-L219 HydrophobicContact CG-CD2 4.07Å; L210-L219 HydrophobicContact CD2-CD2 3.93Å; T214-L219 HydrophobicContact CG2-CB 4.12Å; T214-L219 HydrophobicContact CG2-CD2 3.83Å; D215-L219 WeakPolarHBondContact O-CB 3.32Å; D215-L219 PolarHBondContact O-N 3.36Å; L219-N222 WeakPolarHBondContact O-CB 3.44Å; L219-N222 PolarHBondContact O-N 3.31Å; L219-V223 HydrophobicContact CD1-CG2 4.09Å; L219-V223 HydrophobicContact CG-CG2 4.39Å; L219-V223 WeakPolarHBondContact O-CB 3.42Å; L219-V223 WeakPolarHBondContact O-CG2 3.28Å; L219-V223 PolarHBondContact O-N 3.42Å
220F92.5Very high92.2Very high9 Ų958.3 Ų58.34%0.03931%0.311CS..Hα-helixtrans-63.2-43.8179.2178.9-98.9000112.6F47 F48 T117 T120 V216 Q218 N222 V223 K224F47-F220 HydrophobicContact CE1-CB 4.36Å; F47-F220 HydrophobicContact CE1-CD2 4.3Å; F47-F220 HydrophobicContact CZ-CB 4.21Å; F48-F220 AromaticContact CD2-CD2 3.91Å; F48-F220 HydrophobicContact CD2-CD2 3.91Å; F48-F220 AromaticContact CD2-CE2 3.33Å; F48-F220 HydrophobicContact CD2-CE2 3.33Å; F48-F220 AromaticContact CD2-CZ 3.98Å; F48-F220 HydrophobicContact CD2-CZ 3.98Å; F48-F220 HydrophobicContact CE2-CD2 4.29Å; F48-F220 AromaticContact CE2-CE2 3.47Å; F48-F220 HydrophobicContact CE2-CE2 3.47Å; F48-F220 VanDerWaalsContact CE2-CE2 3.47Å; F48-F220 AromaticContact CE2-CZ 3.6Å; F48-F220 HydrophobicContact CE2-CZ 3.6Å; F48-F220 HydrophobicContact CG-CE2 4.42Å; T117-F220 HydrophobicContact CG2-CE2 4.38Å; T117-F220 HydrophobicContact CG2-CZ 4.16Å; T120-F220 HydrophobicContact CG2-CB 3.73Å; T120-F220 HydrophobicContact CG2-CD2 3.53Å; T120-F220 HydrophobicContact CG2-CE2 4.38Å; T120-F220 HydrophobicContact CG2-CG 3.83Å; V216-F220 VanDerWaalsContact O-CB 3.3Å; V216-F220 WeakPolarHBondContact O-CB 3.3Å; V216-F220 PolarHBondContact O-N 3.47Å; Q218-F220 PolarHBondContact O-N 2.91Å; F220-N222 VanDerWaalsContact C-N 3.29Å; F220-N222 PolarHBondContact O-N 2.91Å; F220-V223 PolarHBondContact O-N 3.42Å; F220-K224 HydrophobicContact CE1-CB 4.48Å; F220-K224 HydrophobicContact CE1-CD 4.15Å; F220-K224 HydrophobicContact CZ-CD 4.4Å; F220-K224 VanDerWaalsContact O-CB 3.29Å; F220-K224 WeakPolarHBondContact O-CB 3.34Å; F220-K224 PolarHBondContact O-N 2.9Å
221N93.1Very high92.9Very high104 Ų10457.1 Ų57.156%0.55631%0.305SS*.Hα-helixtrans-63.6-37.1177-77.4-59.4000111.8N217 Q218 H225N217-N221 WeakPolarHBondContact O-CB 3.32Å; N217-N221 PolarHBondContact O-N 2.94Å; N217-N221 PolarHBondContact O-ND2 3.46Å; Q218-N221 PolarHBondContact O-N 2.73Å; N221-H225 WeakPolarHBondContact O-CB 3.49Å; N221-H225 PolarHBondContact O-N 2.73Å
222N95.2Very high93.5Very high69 Ų6960.7 Ų60.737%0.36932%0.315SS..Hα-helixtrans-66.4-49.1174.8-164.630.1000111.9Q218 L219 F220 K224 H225 Y226Q218-N222 WeakPolarHBondContact O-CB 3.44Å; Q218-N222 PolarHBondContact O-N 3.1Å; L219-N222 WeakPolarHBondContact O-CB 3.44Å; L219-N222 PolarHBondContact O-N 3.31Å; F220-N222 VanDerWaalsContact C-N 3.29Å; F220-N222 PolarHBondContact O-N 2.91Å; N222-K224 PolarHBondContact O-N 3.11Å; N222-H225 PolarHBondContact O-N 3.26Å; N222-Y226 WeakPolarHBondContact O-CD2 3.48Å; N222-Y226 PolarHBondContact O-N 2.98Å; N222-Y226 VanDerWaalsContact O-N 3.15Å; N222-Y226 VanDerWaalsContact OD1-CE2 3.25Å; N222-Y226 WeakPolarHBondContact OD1-CE2 3.08Å
223V95.3Very high94.2Very high0 Ų058.7 Ų58.70%029%0.294CS..Hα-helixtrans-59.2-44.4174.3170.10000110.8I44 F47 F48 P198 I200 L219 F220 H225 Y226 M227I44-V223 HydrophobicContact CG2-CG1 3.79Å; F47-V223 HydrophobicContact CD1-CB 4.43Å; F47-V223 HydrophobicContact CD1-CG1 4.2Å; F47-V223 HydrophobicContact CD1-CG2 4.15Å; F47-V223 HydrophobicContact CE1-CB 4.1Å; F47-V223 HydrophobicContact CE1-CG1 4.33Å; F47-V223 HydrophobicContact CE1-CG2 3.86Å; F48-V223 HydrophobicContact CB-CG1 4Å; F48-V223 HydrophobicContact CD2-CG1 3.96Å; F48-V223 HydrophobicContact CG-CG1 4.17Å; P198-V223 HydrophobicContact CG-CG2 3.88Å; I200-V223 HydrophobicContact CD1-CG2 4.16Å; L219-V223 HydrophobicContact CD1-CG2 4.09Å; L219-V223 HydrophobicContact CG-CG2 4.39Å; L219-V223 WeakPolarHBondContact O-CB 3.42Å; L219-V223 WeakPolarHBondContact O-CG2 3.28Å; L219-V223 PolarHBondContact O-N 3.42Å; F220-V223 PolarHBondContact O-N 3.42Å; V223-H225 VanDerWaalsContact C-N 3.33Å; V223-H225 PolarHBondContact O-N 3.33Å; V223-Y226 PolarHBondContact O-N 2.92Å; V223-M227 WeakPolarHBondContact O-CB 3.16Å; V223-M227 PolarHBondContact O-N 3.2Å
224K95.1Very high94.6Very high35 Ų3553.9 Ų53.915%0.15226%0.26CS..Hα-helixtrans-58.9-44177.2-172.3165.3-179172.20111.3F48 G114 A115 T117 F220 N222 M228F48-K224 HydrophobicContact CE2-CB 3.65Å; F48-K224 HydrophobicContact CE2-CD 4.26Å; F48-K224 HydrophobicContact CE2-CG 3.8Å; F48-K224 HydrophobicContact CZ-CB 4.27Å; F48-K224 HydrophobicContact CZ-CD 4.41Å; F48-K224 HydrophobicContact CZ-CG 3.95Å; G114-K224 WeakPolarHBondContact O-CE 3.22Å; A115-K224 PolarHBondContact O-NZ 3.08Å; T117-K224 WeakPolarHBondContact O-CE 3.26Å; T117-K224 PolarHBondContact O-NZ 2.83Å; F220-K224 HydrophobicContact CE1-CB 4.48Å; F220-K224 HydrophobicContact CE1-CD 4.15Å; F220-K224 HydrophobicContact CZ-CD 4.4Å; F220-K224 VanDerWaalsContact O-CB 3.29Å; F220-K224 WeakPolarHBondContact O-CB 3.34Å; F220-K224 PolarHBondContact O-N 2.9Å; N222-K224 PolarHBondContact O-N 3.11Å; K224-M228 HydrophobicContact CG-CG 4.36Å; K224-M228 WeakPolarHBondContact O-CB 3.49Å; K224-M228 VanDerWaalsContact O-CG 3.22Å; K224-M228 WeakPolarHBondContact O-CG 3.24Å; K224-M228 PolarHBondContact O-N 3.34Å
225H96.5Very high95Very high114 Ų11452.8 Ų52.853%0.52825%0.254SS..Hα-helixtrans-59.2-53.6178.4-175.877.6000111.8N221 N222 V223 M228 I229N221-H225 WeakPolarHBondContact O-CB 3.49Å; N221-H225 PolarHBondContact O-N 2.73Å; N222-H225 PolarHBondContact O-N 3.26Å; V223-H225 VanDerWaalsContact C-N 3.33Å; V223-H225 PolarHBondContact O-N 3.33Å; H225-M228 PolarHBondContact O-N 3.47Å; H225-I229 WeakPolarHBondContact NE2-CD1 3.41Å; H225-I229 WeakPolarHBondContact O-CG1 3.35Å; H225-I229 PolarHBondContact O-N 2.7Å
226Y97.9Very high95.3Very high92 Ų9250.7 Ų50.736%0.36125%0.249SC..Hα-helixtrans-71.3-32.4-179-74.3-68.9000113.6I196 P198 N222 V223 I229 M230I196-Y226 HydrophobicContact CG2-CD1 4.05Å; I196-Y226 WeakPolarHBondContact O-CB 3.34Å; I196-Y226 WeakPolarHBondContact O-CD1 3.27Å; P198-Y226 HydrophobicContact CG-CD2 4.48Å; N222-Y226 WeakPolarHBondContact O-CD2 3.48Å; N222-Y226 PolarHBondContact O-N 2.98Å; N222-Y226 VanDerWaalsContact O-N 3.15Å; N222-Y226 VanDerWaalsContact OD1-CE2 3.25Å; N222-Y226 WeakPolarHBondContact OD1-CE2 3.08Å; V223-Y226 PolarHBondContact O-N 2.92Å; Y226-I229 HydrophobicContact CD1-CD1 4.18Å; Y226-I229 HydrophobicContact CE1-CD1 4.47Å; Y226-I229 PolarHBondContact O-N 3.37Å; Y226-M230 PolarHBondContact O-N 2.85Å
227M97.3Very high95.7Very high0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-63.4-44.8172.1-175.665.372.400110.7I41 I44 F48 W49 L197 V223 I229 M230 L231I41-M227 HydrophobicContact CD1-CE 4.18Å; I44-M227 HydrophobicContact CG2-CE 3.89Å; F48-M227 HydrophobicContact CB-CE 4.44Å; F48-M227 HydrophobicContact CD1-CE 4.18Å; F48-M227 HydrophobicContact CD1-CG 3.8Å; F48-M227 HydrophobicContact CE1-CB 4.38Å; F48-M227 HydrophobicContact CE1-CG 3.71Å; F48-M227 HydrophobicContact CG-CE 4.49Å; F48-M227 HydrophobicContact CZ-CG 4.38Å; W49-M227 HydrophobicContact CH2-CG 4.15Å; W49-M227 HydrophobicContact CH2-SD 3.98Å; W49-M227 HydrophobicContact CZ3-CE 4.02Å; W49-M227 HydrophobicContact CZ3-SD 4.01Å; L197-M227 HydrophobicContact CD1-CE 3.92Å; L197-M227 HydrophobicContact CD1-SD 4.37Å; L197-M227 HydrophobicContact CD2-CB 3.97Å; L197-M227 HydrophobicContact CD2-CE 4.12Å; V223-M227 WeakPolarHBondContact O-CB 3.16Å; V223-M227 PolarHBondContact O-N 3.2Å; M227-I229 VanDerWaalsContact C-N 3.35Å; M227-I229 PolarHBondContact O-N 2.97Å; M227-M230 PolarHBondContact O-N 2.99Å; M227-M230 HydrophobicContact SD-CE 3.56Å; M227-M230 VanDerWaalsContact SD-CE 3.56Å; M227-L231 HydrophobicContact CG-CD1 3.87Å; M227-L231 HydrophobicContact CG-CG 4.38Å; M227-L231 WeakPolarHBondContact O-CB 3.49Å; M227-L231 WeakPolarHBondContact O-CG 3.42Å; M227-L231 PolarHBondContact O-N 2.91Å; M227-L231 HydrophobicContact SD-CD1 4.41Å; M227-L231 HydrophobicContact SD-CG 4.43Å
228M97.6Very high96.1Very high18 Ų1846.5 Ų46.59%0.08923%0.225CC..Hα-helixtrans-63.7-39.1175.4-71-56-59.400112.1C111 A115 K224 H225 L231 Y232C111-M228 WeakPolarHBondContact O-CE 3.32Å; A115-M228 HydrophobicContact CB-CE 4.14Å; A115-M228 PolarHBondContact N-SD 3.09Å; A115-M228 VanDerWaalsContact N-SD 3.43Å; K224-M228 HydrophobicContact CG-CG 4.36Å; K224-M228 WeakPolarHBondContact O-CB 3.49Å; K224-M228 VanDerWaalsContact O-CG 3.22Å; K224-M228 WeakPolarHBondContact O-CG 3.24Å; K224-M228 PolarHBondContact O-N 3.34Å; H225-M228 PolarHBondContact O-N 3.47Å; M228-L231 PolarHBondContact O-N 3.08Å; M228-L231 HydrophobicContact SD-CD1 4.17Å; M228-Y232 HydrophobicContact CB-CD2 4.47Å; M228-Y232 HydrophobicContact CB-CE2 4.12Å; M228-Y232 HydrophobicContact CE-CE1 3.73Å; M228-Y232 HydrophobicContact CE-CE2 3.91Å; M228-Y232 VanDerWaalsContact CE-OH 3.27Å; M228-Y232 WeakPolarHBondContact CE-OH 3.29Å; M228-Y232 WeakPolarHBondContact O-CB 3.36Å; M228-Y232 WeakPolarHBondContact O-CD2 3.17Å; M228-Y232 PolarHBondContact O-N 2.93Å
229I98Very high96.4Very high72 Ų7242.9 Ų42.937%0.36921%0.209SC..Hα-helixtrans-59.6-48.2172.6-70.9167.1000111.1I196 H225 Y226 M227 L231 Y232 F233I196-I229 HydrophobicContact CG2-CG2 4.29Å; H225-I229 WeakPolarHBondContact NE2-CD1 3.41Å; H225-I229 WeakPolarHBondContact O-CG1 3.35Å; H225-I229 PolarHBondContact O-N 2.7Å; Y226-I229 HydrophobicContact CD1-CD1 4.18Å; Y226-I229 HydrophobicContact CE1-CD1 4.47Å; Y226-I229 PolarHBondContact O-N 3.37Å; M227-I229 VanDerWaalsContact C-N 3.35Å; M227-I229 PolarHBondContact O-N 2.97Å; I229-L231 PolarHBondContact O-N 3.43Å; I229-Y232 PolarHBondContact O-N 3.07Å; I229-F233 WeakPolarHBondContact O-CB 3.43Å; I229-F233 PolarHBondContact O-N 3.26Å
230M97.8Very high96.5Very high0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-61-42.9177.3-174.1-155.572.900111.8L38 I41 P193 I196 L197 Y226 M227 F233 S234L38-M230 HydrophobicContact CD2-CE 3.94Å; I41-M230 HydrophobicContact CD1-CE 4.28Å; I41-M230 HydrophobicContact CD1-SD 3.93Å; P193-M230 HydrophobicContact CB-SD 3.62Å; P193-M230 HydrophobicContact CG-SD 3.99Å; I196-M230 HydrophobicContact CG2-CB 4.34Å; L197-M230 HydrophobicContact CD1-SD 3.97Å; Y226-M230 PolarHBondContact O-N 2.85Å; M227-M230 PolarHBondContact O-N 2.99Å; M227-M230 HydrophobicContact SD-CE 3.56Å; M227-M230 VanDerWaalsContact SD-CE 3.56Å; M230-F233 PolarHBondContact O-N 3.12Å; M230-S234 WeakPolarHBondContact O-CB 3.29Å; M230-S234 PolarHBondContact O-N 3.21Å
231L98.2Very high96.5Very high1 Ų146.1 Ų46.11%0.00523%0.227CC..Hα-helixtrans-66.8-42.2178.7-70.2169.2000112W49 K110 C111 M227 M228 I229 S234 A235W49-L231 HydrophobicContact CH2-CD1 4.24Å; W49-L231 HydrophobicContact CZ2-CD1 4.48Å; K110-L231 HydrophobicContact CB-CD2 3.87Å; C111-L231 VanDerWaalsContact SG-C 3.54Å; C111-L231 PolarHBondContact SG-O 3.38Å; M227-L231 HydrophobicContact CG-CD1 3.87Å; M227-L231 HydrophobicContact CG-CG 4.38Å; M227-L231 WeakPolarHBondContact O-CB 3.49Å; M227-L231 WeakPolarHBondContact O-CG 3.42Å; M227-L231 PolarHBondContact O-N 2.91Å; M227-L231 HydrophobicContact SD-CD1 4.41Å; M227-L231 HydrophobicContact SD-CG 4.43Å; M228-L231 PolarHBondContact O-N 3.08Å; M228-L231 HydrophobicContact SD-CD1 4.17Å; I229-L231 PolarHBondContact O-N 3.43Å; L231-S234 CarbonylContact O-C 3.49Å; L231-S234 WeakPolarHBondContact O-CB 3.5Å; L231-S234 PolarHBondContact O-N 2.59Å; L231-A235 PolarHBondContact O-N 3.26Å
232Y98Very high96.7Very high138 Ų13843.9 Ų43.954%0.54121%0.212SC..Hα-helixtrans-65.1-40.2174.5-66.8-40.9000112.3C111 M228 I229 A235 A236C111-Y232 HydrophobicContact CB-CD1 4.11Å; C111-Y232 HydrophobicContact CB-CE1 4.04Å; M228-Y232 HydrophobicContact CB-CD2 4.47Å; M228-Y232 HydrophobicContact CB-CE2 4.12Å; M228-Y232 HydrophobicContact CE-CE1 3.73Å; M228-Y232 HydrophobicContact CE-CE2 3.91Å; M228-Y232 VanDerWaalsContact CE-OH 3.27Å; M228-Y232 WeakPolarHBondContact CE-OH 3.29Å; M228-Y232 WeakPolarHBondContact O-CB 3.36Å; M228-Y232 WeakPolarHBondContact O-CD2 3.17Å; M228-Y232 PolarHBondContact O-N 2.93Å; I229-Y232 PolarHBondContact O-N 3.07Å; Y232-A235 PolarHBondContact O-N 3.4Å; Y232-A236 WeakPolarHBondContact O-CB 3.01Å; Y232-A236 PolarHBondContact O-N 3.3Å
233F96.7Very high96.7Very high82 Ų8243.9 Ų43.936%0.3621%0.212SC..Hα-helixtrans-59.1-47.5170.1170.1-97.3000111.1Y33 V192 I229 M230 A235 A236 L237Y33-F233 HydrophobicContact CE1-CE1 4.48Å; Y33-F233 HydrophobicContact CE2-CE1 4.14Å; Y33-F233 AromaticContact CZ-CE1 3.95Å; V192-F233 HydrophobicContact CG1-CD1 4.38Å; V192-F233 HydrophobicContact CG1-CE1 4.1Å; I229-F233 WeakPolarHBondContact O-CB 3.43Å; I229-F233 PolarHBondContact O-N 3.26Å; M230-F233 PolarHBondContact O-N 3.12Å; F233-A235 VanDerWaalsContact C-N 3.32Å; F233-A235 PolarHBondContact O-N 3.06Å; F233-A236 PolarHBondContact O-N 2.93Å; F233-L237 HydrophobicContact CE1-CD2 4.1Å; F233-L237 HydrophobicContact CZ-CD2 4.34Å; F233-L237 WeakPolarHBondContact O-CB 3.4Å; F233-L237 PolarHBondContact O-N 3.47Å
234S96.7Very high96.7Very high1 Ų148.3 Ų48.31%0.00723%0.231CC..Hα-helixtrans-58.4-39.8177.6-169.90000112.2Y33 Q34 H37 M230 L231 N238Y33-S234 WeakPolarHBondContact CE1-OG 3.24Å; Q34-S234 PolarHBondContact NE2-O 2.99Å; Q34-S234 VanDerWaalsContact NE2-O 3.1Å; Q34-S234 PolarHBondContact NE2-OG 3.48Å; Q34-S234 PolarHBondContact OE1-OG 3.37Å; Q34-S234 VanDerWaalsContact OE1-OG 3.13Å; H37-S234 PolarHBondContact NE2-OG 3.02Å; M230-S234 WeakPolarHBondContact O-CB 3.29Å; M230-S234 PolarHBondContact O-N 3.21Å; L231-S234 CarbonylContact O-C 3.49Å; L231-S234 WeakPolarHBondContact O-CB 3.5Å; L231-S234 PolarHBondContact O-N 2.59Å; S234-N238 PolarHBondContact O-ND2 3.14Å
235A97.9Very high96.5Very high7 Ų746.6 Ų46.66%0.05822%0.224CC..Hα-helixtrans-69.6-49.4173.400000112.5L231 Y232 F233 L237 N238 I239L231-A235 PolarHBondContact O-N 3.26Å; Y232-A235 PolarHBondContact O-N 3.4Å; F233-A235 VanDerWaalsContact C-N 3.32Å; F233-A235 PolarHBondContact O-N 3.06Å; A235-L237 VanDerWaalsContact C-N 3.3Å; A235-L237 PolarHBondContact O-N 3.29Å; A235-N238 PolarHBondContact O-N 3.33Å; A235-I239 HydrophobicContact CB-CD1 4.44Å; A235-I239 WeakPolarHBondContact O-CG1 3.33Å; A235-I239 PolarHBondContact O-N 3.14Å
236A96.7Very high96.4Very high45 Ų4544.4 Ų44.437%0.37222%0.216SC..Hα-helixtrans-58.8-40.7179.700000112.5Y232 F233 N238 I239 L240Y232-A236 WeakPolarHBondContact O-CB 3.01Å; Y232-A236 PolarHBondContact O-N 3.3Å; F233-A236 PolarHBondContact O-N 2.93Å; A236-N238 PolarHBondContact O-N 2.8Å; A236-N238 VanDerWaalsContact O-N 3.13Å; A236-I239 PolarHBondContact O-N 2.85Å; A236-L240 PolarHBondContact O-N 3.36Å
237L96Very high96.1Very high30 Ų3047.7 Ų47.716%0.15723%0.232CC..Hα-helixtrans-57.8-22.5174.3-178.862.7000113.3F29 Y33 F233 A235 P241F29-L237 HydrophobicContact CD1-CD1 3.9Å; F29-L237 HydrophobicContact CD1-CD2 4.16Å; F29-L237 HydrophobicContact CD1-CG 4.38Å; F29-L237 HydrophobicContact CE1-CD1 3.77Å; F29-L237 HydrophobicContact CE1-CD2 3.89Å; F29-L237 HydrophobicContact CE1-CG 4.37Å; Y33-L237 HydrophobicContact CD1-CD2 3.82Å; Y33-L237 HydrophobicContact CD2-CD2 4.23Å; Y33-L237 HydrophobicContact CE1-CD2 4.39Å; Y33-L237 HydrophobicContact CG-CD2 3.74Å; F233-L237 HydrophobicContact CE1-CD2 4.1Å; F233-L237 HydrophobicContact CZ-CD2 4.34Å; F233-L237 WeakPolarHBondContact O-CB 3.4Å; F233-L237 PolarHBondContact O-N 3.47Å; A235-L237 VanDerWaalsContact C-N 3.3Å; A235-L237 PolarHBondContact O-N 3.29Å; L237-P241 WeakPolarHBondContact O-CD 3.27Å; L237-P241 WeakPolarHBondContact O-CG 3.48Å
238N96.4Very high95.7Very high3 Ų348.1 Ų48.12%0.01624%0.236CC..Hα-helixtrans-106.9-26.1-179.3-73.7-77.5000113.5G30 Q34 N103 S234 A235 A236G30-N238 VanDerWaalsContact CA-OD1 3.24Å; G30-N238 WeakPolarHBondContact CA-OD1 3.21Å; G30-N238 PolarHBondContact O-ND2 3.16Å; G30-N238 PolarHBondContact O-OD1 2.63Å; Q34-N238 VanDerWaalsContact CG-ND2 3.33Å; Q34-N238 WeakPolarHBondContact CG-ND2 3.33Å; Q34-N238 PolarHBondContact NE2-ND2 3.5Å; Q34-N238 VanDerWaalsContact NE2-ND2 3.12Å; N103-N238 PolarHBondContact ND2-OD1 2.9Å; S234-N238 PolarHBondContact O-ND2 3.14Å; A235-N238 PolarHBondContact O-N 3.33Å; A236-N238 PolarHBondContact O-N 2.8Å; A236-N238 VanDerWaalsContact O-N 3.13Å
239I97.9Very high95.2Very high61 Ų6147.3 Ų47.331%0.31323%0.232SC..Hα-helixtrans-68.2-43.8170.6-67162.1000111.1A104 A235 A236 F242 I243A104-I239 HydrophobicContact CB-CG1 4.04Å; A235-I239 HydrophobicContact CB-CD1 4.44Å; A235-I239 WeakPolarHBondContact O-CG1 3.33Å; A235-I239 PolarHBondContact O-N 3.14Å; A236-I239 PolarHBondContact O-N 2.85Å; I239-F242 WeakPolarHBondContact O-CB 3.46Å; I239-F242 PolarHBondContact O-N 3.3Å; I239-I243 HydrophobicContact CG2-CD1 3.71Å; I239-I243 HydrophobicContact CG2-CG1 4.31Å; I239-I243 WeakPolarHBondContact O-CG1 3.37Å; I239-I243 PolarHBondContact O-N 3.38Å
240L95.3Very high94.7Very high91 Ų9150 Ų5048%0.47624%0.238SC..Hα-helixtrans-60.3-47.8-178.1-77.6166.9000113.4A236 F242 I243 F244A236-L240 PolarHBondContact O-N 3.36Å; L240-F242 VanDerWaalsContact C-N 3.33Å; L240-F242 PolarHBondContact O-N 3.37Å; L240-I243 PolarHBondContact O-N 3.15Å; L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 HydrophobicContact CD2-CZ 4.43Å; L240-F244 WeakPolarHBondContact O-CD2 3.47Å; L240-F244 WeakPolarHBondContact O-CG 3.06Å; L240-F244 PolarHBondContact O-N 3.26Å
241P93.4Very high93.9Very high6 Ų652 Ų524%0.03926%0.255CS..Hα-helixtrans-63.1-34.9175-21.332.6000113.4L26 C27 L237 F244 A245L26-P241 HydrophobicContact CB-CB 4.11Å; L26-P241 HydrophobicContact CB-CG 3.99Å; C27-P241 HydrophobicContact CB-CB 4.39Å; C27-P241 VanDerWaalsContact SG-CB 3.51Å; L237-P241 WeakPolarHBondContact O-CD 3.27Å; L237-P241 WeakPolarHBondContact O-CG 3.48Å; P241-F244 PolarHBondContact O-N 2.92Å; P241-A245 WeakPolarHBondContact O-CB 3.08Å; P241-A245 PolarHBondContact O-N 3.33Å
242F96.4Very high93.3Very high56 Ų5657.9 Ų57.925%0.24628%0.28CS..Hα-helixtrans-63.3-45.5173.9169.1-114.2000111.9L97 A101 A104 I239 L240 F244 A245 L246L97-F242 HydrophobicContact CD2-CE2 4.44Å; A101-F242 HydrophobicContact CB-CD2 3.87Å; A101-F242 HydrophobicContact CB-CE2 3.63Å; A101-F242 HydrophobicContact CB-CZ 4.2Å; A104-F242 HydrophobicContact CB-CB 4.5Å; I239-F242 WeakPolarHBondContact O-CB 3.46Å; I239-F242 PolarHBondContact O-N 3.3Å; L240-F242 VanDerWaalsContact C-N 3.33Å; L240-F242 PolarHBondContact O-N 3.37Å; F242-F244 PolarHBondContact O-N 2.89Å; F242-A245 PolarHBondContact O-N 3.06Å; F242-L246 WeakPolarHBondContact O-CB 3.08Å; F242-L246 PolarHBondContact O-N 2.97Å
243I96.3Very high92.6Very high70 Ų7052 Ų5236%0.35926%0.259SS..Hα-helixtrans-60.1-46.8174.8-68.1170.4000110.5I239 L240 A245 L246 F247I239-I243 HydrophobicContact CG2-CD1 3.71Å; I239-I243 HydrophobicContact CG2-CG1 4.31Å; I239-I243 WeakPolarHBondContact O-CG1 3.37Å; I239-I243 PolarHBondContact O-N 3.38Å; L240-I243 PolarHBondContact O-N 3.15Å; I243-A245 VanDerWaalsContact C-N 3.31Å; I243-A245 PolarHBondContact O-N 3.43Å; I243-L246 PolarHBondContact O-N 2.78Å; I243-F247 HydrophobicContact CG2-CD2 4.1Å; I243-F247 HydrophobicContact CG2-CE2 4.17Å; I243-F247 WeakPolarHBondContact O-CD2 3.41Å; I243-F247 PolarHBondContact O-N 3.05Å
244F93.7Very high91.8Very high92 Ų9256.5 Ų56.540%0.40428%0.278SS..Hα-helixtrans-64.5-34.1176.9-61.5-34.6000112.6I23 L26 L240 P241 F242 G248I23-F244 HydrophobicContact CD1-CB 4.46Å; I23-F244 WeakPolarHBondContact CD1-O 3.36Å; I23-F244 HydrophobicContact CG1-CB 4.04Å; L26-F244 HydrophobicContact CD1-CD2 4.22Å; L26-F244 HydrophobicContact CD1-CE2 4.44Å; L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 HydrophobicContact CD2-CZ 4.43Å; L240-F244 WeakPolarHBondContact O-CD2 3.47Å; L240-F244 WeakPolarHBondContact O-CG 3.06Å; L240-F244 PolarHBondContact O-N 3.26Å; P241-F244 PolarHBondContact O-N 2.92Å; F242-F244 PolarHBondContact O-N 2.89Å; F244-G248 WeakPolarHBondContact O-CA 3.45Å; F244-G248 PolarHBondContact O-N 2.91Å
245A92.4Very high90.9Very high0 Ų058.6 Ų58.60%029%0.291CS..Hα-helixtrans-66.3-44.517300000111.8I23 L97 P241 F242 I243 F247 L249I23-A245 HydrophobicContact CG2-CB 3.9Å; L97-A245 HydrophobicContact CD2-CB 3.75Å; P241-A245 WeakPolarHBondContact O-CB 3.08Å; P241-A245 PolarHBondContact O-N 3.33Å; F242-A245 PolarHBondContact O-N 3.06Å; I243-A245 VanDerWaalsContact C-N 3.31Å; I243-A245 PolarHBondContact O-N 3.43Å; A245-F247 PolarHBondContact O-N 3.33Å; A245-L249 HydrophobicContact CB-CB 4.44Å; A245-L249 HydrophobicContact CB-CD2 4.46Å; A245-L249 WeakPolarHBondContact O-CB 3.18Å; A245-L249 PolarHBondContact O-N 2.9Å; A245-L249 VanDerWaalsContact O-N 3.09Å
246L94.2Very high90.1Very high68 Ų6859.6 Ų59.636%0.35630%0.295SS..Hα-helixtrans-56.9-50.1-176.2-171.863.3000112.2R93 L97 F242 I243R93-L246 PolarHBondContact NH1-O 3.3Å; R93-L246 PolarHBondContact NH2-O 3.19Å; L97-L246 HydrophobicContact CD2-CB 4.23Å; L97-L246 HydrophobicContact CD2-CD1 4.28Å; F242-L246 WeakPolarHBondContact O-CB 3.08Å; F242-L246 PolarHBondContact O-N 2.97Å; I243-L246 PolarHBondContact O-N 2.78Å
247F91.9Very high89.3Confident161 Ų16157.7 Ų57.771%0.70628%0.278SS*.Hα-helixtrans-92.2-33.8-179-57.6-70.3000113.3I243 A245I243-F247 HydrophobicContact CG2-CD2 4.1Å; I243-F247 HydrophobicContact CG2-CE2 4.17Å; I243-F247 WeakPolarHBondContact O-CD2 3.41Å; I243-F247 PolarHBondContact O-N 3.05Å; A245-F247 PolarHBondContact O-N 3.33Å
248G88.1Confident88.4Confident9 Ų956.7 Ų56.79%0.09327%0.274CS..Hα-helixtrans-95.4-32.6-168.100000116.4R16 F244R16-G248 PolarHBondContact NE-O 3.13Å; R16-G248 PolarHBondContact NH2-O 3.26Å; F244-G248 WeakPolarHBondContact O-CA 3.45Å; F244-G248 PolarHBondContact O-N 2.91Å
249L88.3Confident87.2Confident1 Ų160 Ų601%0.00529%0.292CS..  trans-75.4142.3-174.5-170.165.3000111.9R93 L96 A245R93-L249 HydrophobicContact CB-CD2 4.32Å; R93-L249 HydrophobicContact CB-CG 4.47Å; R93-L249 HydrophobicContact CG-CD2 4.36Å; R93-L249 PolarHBondContact NH1-O 3.34Å; L96-L249 HydrophobicContact CB-CD2 3.84Å; L96-L249 HydrophobicContact CD2-CD1 4.42Å; L96-L249 HydrophobicContact CD2-CD2 3.82Å; L96-L249 HydrophobicContact CG-CD2 4.2Å; A245-L249 HydrophobicContact CB-CB 4.44Å; A245-L249 HydrophobicContact CB-CD2 4.46Å; A245-L249 WeakPolarHBondContact O-CB 3.18Å; A245-L249 PolarHBondContact O-N 2.9Å; A245-L249 VanDerWaalsContact O-N 3.09Å
250R86.2Confident85.8Confident127 Ų12760.6 Ų60.648%0.47931%0.305SS..  trans-122.3151.4166.1-80-175.5178173.10.9109.5W165W165-R250 HydrophobicContact CH2-CB 3.89Å; W165-R250 HydrophobicContact CZ2-CB 3.67Å; W165-R250 WeakPolarHBondContact CZ2-O 3.33Å
251A82.3Confident84.6Confident44 Ų4458.2 Ų58.236%0.36429%0.292SS..SBendtrans-66.7-44.6-177.900000111.9R93 W165R93-A251 HydrophobicContact CB-CB 3.92Å; W165-A251 PolarHBondContact NE1-O 2.96Å
252K83.7Confident83.5Confident123 Ų12363 Ų6354%0.53531%0.31SS..SBendtrans-147.1162.1178.262.7171.1-171.8165.20111.8V164 W165 E256V164-K252 HydrophobicContact CG1-CB 3.88Å; W165-K252 WeakPolarHBondContact CZ2-O 3.29Å; K252-E256 IonicContact NZ-OE1 3.67Å
253P83.6Confident82.2Confident14 Ų1464 Ų649%0.09131%0.314CS..  trans-62.9173.3168.127.1-36.4000112.6Y14 V164 W165 T255Y14-P253 HydrophobicContact CD2-CB 3.89Å; Y14-P253 HydrophobicContact CE2-CB 4.2Å; V164-P253 WeakPolarHBondContact O-CD 3.46Å; V164-P253 WeakPolarHBondContact O-CG 3.32Å; W165-P253 HydrophobicContact CE3-CB 4.15Å; W165-P253 HydrophobicContact CE3-CG 4.48Å; W165-P253 HydrophobicContact CH2-CB 4.4Å; W165-P253 HydrophobicContact CZ3-CB 3.98Å; P253-T255 WeakPolarHBondContact CB-O 3.36Å; P253-T255 VanDerWaalsContact CG-O 3.24Å; P253-T255 WeakPolarHBondContact CG-O 3.23Å
254K80.9Confident80.8Confident177 Ų17768.4 Ų68.477%0.7733%0.326SS*.SBendtrans-73.1-35.7175.4-78.7-168.7173.1-167.30112.7Y14Y14-K254 HydrophobicContact CE2-CB 3.99Å
255T78.1Confident79.5Confident45 Ų4566.7 Ų66.728%0.27632%0.321SS..SBendtrans-122146.2178.250.80000108.2I12 Y14 P253I12-T255 PolarHBondContact O-OG1 3.2Å; Y14-T255 WeakPolarHBondContact CE2-OG1 3.43Å; Y14-T255 PolarHBondContact OH-OG1 3.05Å; P253-T255 WeakPolarHBondContact CB-O 3.36Å; P253-T255 VanDerWaalsContact CG-O 3.24Å; P253-T255 WeakPolarHBondContact CG-O 3.23Å
256E80.8Confident78Confident29 Ų2968 Ų6814%0.13634%0.335CS..  trans-65.4141179.8-55.5-62.8170.400110.6F9 K252 S258 Q261 N265F9-E256 HydrophobicContact CZ-CB 4.36Å; K252-E256 IonicContact NZ-OE1 3.67Å; E256-S258 VanDerWaalsContact C-N 3.27Å; E256-S258 PolarHBondContact O-N 3.11Å; E256-Q261 HydrophobicContact CB-CB 4.18Å; E256-N265 VanDerWaalsContact CD-ND2 3.32Å; E256-N265 PolarHBondContact OE1-ND2 3.26Å
257P79.2Confident75.8Confident4 Ų468 Ų683%0.02634%0.34CS..SBendtrans-831.2-173.734.4-35.7000113.8V11 L13 F166 G167V11-P257 VanDerWaalsContact CG1-O 3.24Å; V11-P257 WeakPolarHBondContact CG1-O 3.47Å; L13-P257 HydrophobicContact CD2-CB 3.5Å; L13-P257 VanDerWaalsContact CD2-CB 3.5Å; F166-P257 WeakPolarHBondContact O-CB 3.41Å; G167-P257 WeakPolarHBondContact CA-O 3.4Å
258S78.2Confident73.8Confident10 Ų1061.8 Ų61.87%0.0732%0.317CS..SBendtrans-147.4150.2173.870.40000112.1E256 A260 Q261 Y262E256-S258 VanDerWaalsContact C-N 3.27Å; E256-S258 PolarHBondContact O-N 3.11Å; S258-A260 PolarHBondContact O-N 3.11Å; S258-Q261 PolarHBondContact O-N 3.45Å; S258-Q261 WeakPolarHBondContact OG-CB 3.4Å; S258-Q261 WeakPolarHBondContact OG-CG 3.17Å; S258-Q261 PolarHBondContact OG-N 3.29Å; S258-Q261 PolarHBondContact OG-OE1 2.77Å; S258-Y262 PolarHBondContact O-N 3.47Å
259L70.1Confident72.1Confident73 Ų7366.3 Ų66.338%0.38234%0.338SS..Hα-helixtrans-60.1-36.2173.6-178.765.1000111.7F9 Q261 Y262 K263F9-L259 HydrophobicContact CB-CD1 4.08Å; F9-L259 HydrophobicContact CD1-CB 4.29Å; F9-L259 HydrophobicContact CD1-CD1 3.7Å; F9-L259 HydrophobicContact CG-CD1 4.18Å; L259-Q261 PolarHBondContact O-N 3.26Å; L259-Y262 HydrophobicContact CD1-CD1 4.21Å; L259-Y262 WeakPolarHBondContact O-CB 3.22Å; L259-Y262 PolarHBondContact O-N 3.12Å; L259-K263 HydrophobicContact CD1-CG 4.38Å; L259-K263 PolarHBondContact O-N 3.49Å
260A68.4Low69.9Low72 Ų7271 Ų7160%0.59536%0.363SS*.Hα-helixtrans-60.9-42.2176.900000112.3S258 R264S258-A260 PolarHBondContact O-N 3.11Å; A260-R264 WeakPolarHBondContact O-CB 3.41Å; A260-R264 PolarHBondContact O-N 2.97Å
261Q69.6Low67.9Low41 Ų4170.5 Ų70.519%0.19237%0.366CS..Hα-helixtrans-72.2-35.9174.9-73.9163.6-6000112.7A163 E256 S258 L259 R264 N265A163-Q261 PolarHBondContact O-NE2 2.72Å; A163-Q261 PolarHBondContact O-OE1 3.3Å; E256-Q261 HydrophobicContact CB-CB 4.18Å; S258-Q261 PolarHBondContact O-N 3.45Å; S258-Q261 WeakPolarHBondContact OG-CB 3.4Å; S258-Q261 WeakPolarHBondContact OG-CG 3.17Å; S258-Q261 PolarHBondContact OG-N 3.29Å; S258-Q261 PolarHBondContact OG-OE1 2.77Å; L259-Q261 PolarHBondContact O-N 3.26Å; Q261-R264 PolarHBondContact O-N 3.34Å; Q261-N265 WeakPolarHBondContact O-CB 3.49Å; Q261-N265 PolarHBondContact O-N 3.28Å
262Y72Confident66Low107 Ų10775.5 Ų75.542%0.4238%0.379SS..Hα-helixtrans-58-53.1172.9179.6-110.2000111.2F9 S258 L259 R264 N265 G266F9-Y262 HydrophobicContact CB-CD1 4.23Å; F9-Y262 HydrophobicContact CB-CE1 4.22Å; F9-Y262 HydrophobicContact CD1-CD1 4.22Å; F9-Y262 HydrophobicContact CD1-CG 4.22Å; F9-Y262 AromaticContact CD2-CD1 3.72Å; F9-Y262 HydrophobicContact CD2-CD1 3.72Å; F9-Y262 AromaticContact CD2-CD2 3.68Å; F9-Y262 HydrophobicContact CD2-CD2 3.68Å; F9-Y262 AromaticContact CD2-CE1 3.86Å; F9-Y262 HydrophobicContact CD2-CE1 3.86Å; F9-Y262 AromaticContact CD2-CE2 3.82Å; F9-Y262 HydrophobicContact CD2-CE2 3.82Å; F9-Y262 AromaticContact CD2-CG 3.62Å; F9-Y262 HydrophobicContact CD2-CG 3.62Å; F9-Y262 AromaticContact CD2-CZ 3.91Å; F9-Y262 HydrophobicContact CE1-CG 4.11Å; F9-Y262 HydrophobicContact CE2-CD1 4.12Å; F9-Y262 AromaticContact CE2-CD2 3.36Å; F9-Y262 HydrophobicContact CE2-CD2 3.36Å; F9-Y262 AromaticContact CE2-CE2 3.85Å; F9-Y262 HydrophobicContact CE2-CE2 3.85Å; F9-Y262 AromaticContact CE2-CG 3.51Å; F9-Y262 HydrophobicContact CE2-CG 3.51Å; F9-Y262 AromaticContact CG-CD1 3.78Å; F9-Y262 HydrophobicContact CG-CD1 3.78Å; F9-Y262 HydrophobicContact CG-CD2 4.5Å; F9-Y262 HydrophobicContact CG-CE1 4.11Å; F9-Y262 AromaticContact CG-CG 3.99Å; F9-Y262 HydrophobicContact CG-CG 3.99Å; F9-Y262 AromaticContact CZ-CD2 3.95Å; F9-Y262 HydrophobicContact CZ-CD2 3.95Å; F9-Y262 AromaticContact CZ-CG 3.78Å; F9-Y262 HydrophobicContact CZ-CG 3.78Å; S258-Y262 PolarHBondContact O-N 3.47Å; L259-Y262 HydrophobicContact CD1-CD1 4.21Å; L259-Y262 WeakPolarHBondContact O-CB 3.22Å; L259-Y262 PolarHBondContact O-N 3.12Å; Y262-R264 PolarHBondContact O-N 2.82Å; Y262-N265 PolarHBondContact O-N 3.27Å; Y262-G266 PolarHBondContact O-N 2.95Å
263K68.3Low64Low76 Ų7674 Ų7433%0.3338%0.377SS..Hα-helixtrans-60.3-44176-65.8-162.5-178.7-142.40112.2D7 L259 N265 G266 S267D7-K263 WeakPolarHBondContact OD2-CE 3.38Å; D7-K263 IonicContact OD2-NZ 3.5Å; D7-K263 PolarHBondContact OD2-NZ 2.86Å; L259-K263 HydrophobicContact CD1-CG 4.38Å; L259-K263 PolarHBondContact O-N 3.49Å; K263-N265 VanDerWaalsContact C-N 3.34Å; K263-N265 PolarHBondContact O-N 2.96Å; K263-G266 PolarHBondContact O-N 3.32Å; K263-S267 PolarHBondContact O-N 3.07Å; K263-S267 PolarHBondContact O-OG 3Å
264R66.1Low62.2Low163 Ų16379.2 Ų79.262%0.61540%0.4SS*.Hα-helixtrans-65.7-29.8179.3-167.3178.6-169.2-166.65.8114.1A260 Q261 Y262 S267 S268A260-R264 WeakPolarHBondContact O-CB 3.41Å; A260-R264 PolarHBondContact O-N 2.97Å; Q261-R264 PolarHBondContact O-N 3.34Å; Y262-R264 PolarHBondContact O-N 2.82Å; R264-S267 PolarHBondContact O-OG 3.4Å; R264-S268 WeakPolarHBondContact O-CB 3.36Å
265N66.7Low60.5Low57 Ų5774.3 Ų74.331%0.30538%0.381SS..Hα-helixtrans-85.8-34.1174.8-76.4-12.4000111.8E256 Q261 Y262 K263 S268 I269E256-N265 VanDerWaalsContact CD-ND2 3.32Å; E256-N265 PolarHBondContact OE1-ND2 3.26Å; Q261-N265 WeakPolarHBondContact O-CB 3.49Å; Q261-N265 PolarHBondContact O-N 3.28Å; Y262-N265 PolarHBondContact O-N 3.27Å; K263-N265 VanDerWaalsContact C-N 3.34Å; K263-N265 PolarHBondContact O-N 2.96Å; N265-S268 PolarHBondContact O-N 3.37Å; N265-I269 WeakPolarHBondContact O-CG1 3.44Å; N265-I269 PolarHBondContact O-N 3.23Å
266G60.4Low58.9Low28 Ų2877.1 Ų77.129%0.28940%0.395SS..Hα-helixtrans-63.4-49.8173.500000113.1Y262 K263 S268 I269 N270Y262-G266 PolarHBondContact O-N 2.95Å; K263-G266 PolarHBondContact O-N 3.32Å; G266-S268 PolarHBondContact O-N 3.39Å; G266-I269 WeakPolarHBondContact O-CB 3.49Å; G266-I269 PolarHBondContact O-N 3.32Å; G266-N270 PolarHBondContact O-N 3.08Å; G266-N270 VanDerWaalsContact O-N 3.13Å
267S49.7Very low57.1Low67 Ų6780 Ų8047%0.46941%0.411SS..Hα-helixtrans-60.1-35.6176.362.40000112.3K263 R264 I269 N270 H271K263-S267 PolarHBondContact O-N 3.07Å; K263-S267 PolarHBondContact O-OG 3Å; R264-S267 PolarHBondContact O-OG 3.4Å; S267-I269 PolarHBondContact O-N 2.94Å; S267-N270 PolarHBondContact O-N 3.32Å; S267-H271 WeakPolarHBondContact O-CB 3.39Å; S267-H271 PolarHBondContact O-N 3.12Å
268S49.8Very low55.3Low30 Ų3086 Ų8621%0.2144%0.438CS..Hα-helixtrans-68.1-14.1173.5179.50000114.7R264 N265 G266 R373R264-S268 WeakPolarHBondContact O-CB 3.36Å; N265-S268 PolarHBondContact O-N 3.37Å; G266-S268 PolarHBondContact O-N 3.39Å; S268-R373 PolarHBondContact OG-NH1 3.43Å
269I50.6Low53.4Low105 Ų10591.2 Ų91.254%0.53847%0.465SS..Hα-helixtrans-88.5-47.6171.4-69162.9000109N265 G266 S267 H271 K272 L273N265-I269 WeakPolarHBondContact O-CG1 3.44Å; N265-I269 PolarHBondContact O-N 3.23Å; G266-I269 WeakPolarHBondContact O-CB 3.49Å; G266-I269 PolarHBondContact O-N 3.32Å; S267-I269 PolarHBondContact O-N 2.94Å; I269-H271 VanDerWaalsContact C-N 3.34Å; I269-H271 PolarHBondContact O-N 3.32Å; I269-K272 WeakPolarHBondContact O-CA 3.47Å; I269-K272 WeakPolarHBondContact O-CB 3.43Å; I269-K272 PolarHBondContact O-N 3.38Å; I269-L273 HydrophobicContact CG2-CD1 4.21Å; I269-L273 PolarHBondContact O-N 3.09Å
270N43.9Very low51.9Low100 Ų10091.7 Ų91.754%0.53547%0.474SS..Hα-helixtrans-58.6-43.4178.9-66.84.4000112.1G266 S267 K272 L273 Q274G266-N270 PolarHBondContact O-N 3.08Å; G266-N270 VanDerWaalsContact O-N 3.13Å; S267-N270 PolarHBondContact O-N 3.32Å; N270-K272 PolarHBondContact O-N 3.33Å; N270-L273 PolarHBondContact O-N 3.34Å; N270-L273 VanDerWaalsContact O-N 3.1Å; N270-Q274 PolarHBondContact O-N 3.32Å
271H42.6Very low50.7Low116 Ų11694.5 Ų94.554%0.53748%0.478SS..Hα-helixtrans-63.6-28.1176.2-166.8-23.8000112.8S267 I269 I275S267-H271 WeakPolarHBondContact O-CB 3.39Å; S267-H271 PolarHBondContact O-N 3.12Å; I269-H271 VanDerWaalsContact C-N 3.34Å; I269-H271 PolarHBondContact O-N 3.32Å; H271-I275 WeakPolarHBondContact O-CD1 3.41Å; H271-I275 WeakPolarHBondContact O-CG1 3.14Å; H271-I275 PolarHBondContact O-N 3.43Å
272K42.7Very low48.9Very low148 Ų14898.9 Ų98.964%0.64350%0.503SS*.Hα-helixtrans-75.9-32.6173.4-85.8-175.1167.6-170.80113I269 N270 N276I269-K272 WeakPolarHBondContact O-CA 3.47Å; I269-K272 WeakPolarHBondContact O-CB 3.43Å; I269-K272 PolarHBondContact O-N 3.38Å; N270-K272 PolarHBondContact O-N 3.33Å; K272-N276 PolarHBondContact O-N 2.96Å
273L42.8Very low46.7Very low93 Ų93101.7 Ų101.749%0.48752%0.517SS..Hα-helixtrans-67.4-51.7174.2-67.1167000109.6I269 N270 I275 N276 D277I269-L273 HydrophobicContact CG2-CD1 4.21Å; I269-L273 PolarHBondContact O-N 3.09Å; N270-L273 PolarHBondContact O-N 3.34Å; N270-L273 VanDerWaalsContact O-N 3.1Å; L273-I275 VanDerWaalsContact C-N 3.29Å; L273-I275 PolarHBondContact O-N 2.96Å; L273-N276 WeakPolarHBondContact O-CA 3.28Å; L273-N276 WeakPolarHBondContact O-CB 3.25Å; L273-N276 PolarHBondContact O-N 3.04Å; L273-D277 VanDerWaalsContact O-CG 3.28Å; L273-D277 PolarHBondContact O-N 3.48Å
274Q44.6Very low44.7Very low122 Ų122103.8 Ų103.857%0.5754%0.539SS*.Hα-helixtrans-55-38.8177.6-71.9175.7-40.300114N270 D277 Q278N270-Q274 PolarHBondContact O-N 3.32Å; Q274-D277 PolarHBondContact O-N 2.85Å; Q274-Q278 WeakPolarHBondContact O-CG 3.5Å; Q274-Q278 PolarHBondContact O-N 3Å
275I46.9Very low42.8Very low75 Ų75103.9 Ų103.939%0.38555%0.55SS.*Hα-helixtrans-64.8-41.4174.4-73.8169000111.6H271 L273 L279H271-I275 WeakPolarHBondContact O-CD1 3.41Å; H271-I275 WeakPolarHBondContact O-CG1 3.14Å; H271-I275 PolarHBondContact O-N 3.43Å; L273-I275 VanDerWaalsContact C-N 3.29Å; L273-I275 PolarHBondContact O-N 2.96Å; I275-L279 HydrophobicContact CG2-CD1 4.07Å; I275-L279 WeakPolarHBondContact O-CB 3.45Å; I275-L279 PolarHBondContact O-N 3.44Å
276N43Very low40.9Very low104 Ų104109.3 Ų109.356%0.55658%0.579SS**Hα-helixtrans-68.8-37.7177.4-78.5-2.3000111.8K272 L273 L279 S280K272-N276 PolarHBondContact O-N 2.96Å; L273-N276 WeakPolarHBondContact O-CA 3.28Å; L273-N276 WeakPolarHBondContact O-CB 3.25Å; L273-N276 PolarHBondContact O-N 3.04Å; N276-L279 PolarHBondContact O-N 3.33Å; N276-S280 PolarHBondContact O-N 3.39Å
277D43.5Very low39.3Very low90 Ų90111.7 Ų111.748%0.48160%0.604SS.*Hα-helixtrans-66.2-45.1178.7-61.6-34.7000110.4L273 Q274 L279 S280 I281L273-D277 VanDerWaalsContact O-CG 3.28Å; L273-D277 PolarHBondContact O-N 3.48Å; Q274-D277 PolarHBondContact O-N 2.85Å; D277-L279 PolarHBondContact O-N 3.13Å; D277-S280 PolarHBondContact O-N 3.06Å; D277-S280 PolarHBondContact O-OG 3Å; D277-I281 WeakPolarHBondContact O-CG1 3.4Å; D277-I281 PolarHBondContact O-N 3.37Å
278Q41.4Very low38.1Very low128 Ų128116.1 Ų116.160%0.59862%0.621SS**Hα-helixtrans-58.5-46.4171.4-74.3-179.5-32.700112.3Q274 S280 I281 D282Q274-Q278 WeakPolarHBondContact O-CG 3.5Å; Q274-Q278 PolarHBondContact O-N 3Å; Q278-S280 PolarHBondContact O-N 3.24Å; Q278-S280 VanDerWaalsContact O-N 3.1Å; Q278-I281 PolarHBondContact O-N 2.85Å; Q278-D282 PolarHBondContact O-N 3.22Å; Q278-D282 VanDerWaalsContact O-N 3.11Å
279L38Very low36.9Very low121 Ų121122.7 Ų122.763%0.63465%0.648SS**Hα-helixtrans-64-12.4175.3-86.5167.8000114.5I275 N276 D277I275-L279 HydrophobicContact CG2-CD1 4.07Å; I275-L279 WeakPolarHBondContact O-CB 3.45Å; I275-L279 PolarHBondContact O-N 3.44Å; N276-L279 PolarHBondContact O-N 3.33Å; D277-L279 PolarHBondContact O-N 3.13Å
280S39.5Very low35.7Very low82 Ų82122.2 Ų122.257%0.57365%0.654SS**Hα-helixtrans-93.6-19.3172.977.80000113.7N276 D277 Q278N276-S280 PolarHBondContact O-N 3.39Å; D277-S280 PolarHBondContact O-N 3.06Å; D277-S280 PolarHBondContact O-OG 3Å; Q278-S280 PolarHBondContact O-N 3.24Å; Q278-S280 VanDerWaalsContact O-N 3.1Å
281I42.8Very low34.9Very low131 Ų131124.5 Ų124.567%0.67267%0.671SS**Hα-helixtrans-87.5-37.9177.8-66.8166.5000110.6D277 Q278 K283D277-I281 WeakPolarHBondContact O-CG1 3.4Å; D277-I281 PolarHBondContact O-N 3.37Å; Q278-I281 PolarHBondContact O-N 2.85Å; I281-K283 PolarHBondContact O-N 3.27Å
282D30.9Very low33.9Very low134 Ų134125.8 Ų125.872%0.71768%0.681SS**  trans-7850-179.7-74.2-28.4000114.1Q278Q278-D282 PolarHBondContact O-N 3.22Å; Q278-D282 VanDerWaalsContact O-N 3.11Å
283K26.1Very low33.3Very low165 Ų165126.1 Ų126.172%0.71769%0.689SS**  trans-114.6106.4163.5-84.4-170.9174.2-177.40110.4I281 L285I281-K283 PolarHBondContact O-N 3.27Å; K283-L285 PolarHBondContact O-N 3.48Å
284P27.3Very low32.4Very low120 Ų120128 Ų12878%0.77970%0.7SS**  trans-66.1135.117727.6-33.8000110.7N286P284-N286 PolarHBondContact O-N 3.32Å; P284-N286 VanDerWaalsContact O-N 3.07Å
285L26Very low31.6Very low165 Ų165130.2 Ų130.286%0.86472%0.716SS**  trans-65.8106170.6-85.173000109.6K283K283-L285 PolarHBondContact O-N 3.48Å
286N26.2Very low30.5Very low171 Ų171129.4 Ų129.491%0.91473%0.726SS**  trans-166.2142.1157.1-97.9-41.3000110.3P284P284-N286 PolarHBondContact O-N 3.32Å; P284-N286 VanDerWaalsContact O-N 3.07Å
287G27.7Very low29.6Very low79 Ų79131.9 Ų131.981%0.81474%0.739SS**  trans111.6104.2176.300000113.8
288I24.2Very low28.9Very low159 Ų159135.3 Ų135.382%0.81575%0.751SS**  trans-98.7153.8176.8-75.4171.8000110.2
289H24.9Very low28.2Very low169 Ų169134 Ų13478%0.78275%0.748SS**  trans82.9115.9165.2-87.6-55.1000121.4
290S23.9Very low27.6Very low95 Ų95136.7 Ų136.766%0.66476%0.755SS**  trans55.7115.5134.563.90000121.9
291V27.1Very low26.9Very low147 Ų147142.3 Ų142.389%0.89177%0.769SS**  -135.9142.2113.1171.10000108.4
292I23.4Very low26.2Very low144 Ų144141.9 Ų141.974%0.73877%0.768SS**  trans-96.6133.1172.8-65.4162.7000108.7
293N28.8Very low25.9Very low154 Ų154143 Ų14382%0.82477%0.774SS**  trans-160.2158.5139.8-124.4-36.6000114.7
294N23.7Very low26Very low133 Ų133142 Ų14271%0.71178%0.775SS**  trans-94.8178.8-175-78.5-40.6000113.6
295N28.4Very low26.1Very low168 Ų168142.1 Ų142.190%0.89877%0.769SS**  trans101.9136.7170.7-52.2-23.1000114.2
296G23.7Very low26.4Very low59 Ų59142.9 Ų142.961%0.60877%0.765SS**  cis140.6115.4-4.600000111.9
297L23.8Very low26.4Very low155 Ų155143.1 Ų143.181%0.81276%0.761SS**  trans66.5151.6-173.5-59.879.5000113
298H28.8Very low26.6Very low162 Ų162149 Ų14975%0.7577%0.765SS**  cis-141.7163.219.6-118-61000115
299D26.7Very low26.8Very low100 Ų100150.5 Ų150.554%0.53576%0.761SS.*  trans-27.8135.5177.7-70.4-92000123.1
300K24.9Very low27Very low179 Ų179148 Ų14878%0.77876%0.759SS**  37.6103.7121.6-54.6170-172.1137.80118.4
301K26.1Very low27.2Very low200 Ų200153.3 Ų153.387%0.8777%0.77SS**  trans-156.9158.5130.7-114.8157.6-171.9168.10111.7
302N28Very low27.3Very low122 Ų122150.8 Ų150.865%0.65276%0.758SS**  trans67.454.5169.9-56.918.4000117.5
303N24.6Very low27.6Very low156 Ų156151.5 Ų151.583%0.83476%0.763SS**  trans-79.3110.3136.6-93.2-0.9000107.2
304I28.8Very low27.5Very low146 Ų146153.5 Ų153.575%0.74977%0.767SS**SBendtrans-173.3-41.1162.9-101.4150.4000109.4K306I304-K306 PolarHBondContact O-N 2.83Å
305D29.8Very low27.6Very low121 Ų121151.8 Ų151.865%0.64777%0.765SS**THydrogen-bonded Turntrans-78.717.8-171.4-56.3-51.6000115.4
306K30.3Very low27.5Very low181 Ų181151.7 Ų151.779%0.78777%0.765SS**THydrogen-bonded Turntrans-111.8-6.9-175.3-101.2-169.7174.2-172.10116I304I304-K306 PolarHBondContact O-N 2.83Å
307E28.1Very low27.6Very low177 Ų177158.7 Ų158.783%0.82778%0.779SS**SBendtrans-95.5-5-171.6-149.3162.6-15700113.9
308F30.1Very low27.7Very low201 Ų201159.7 Ų159.788%0.88278%0.779SS**SBendtrans-102-4-176.9-123.4-90.5000115.2
309Y28.6Very low27.5Very low191 Ų191162.6 Ų162.675%0.74979%0.785SS**SBendtrans-1040.1-175.6-95.3-81.6000114.7
310T29.7Very low27.5Very low118 Ų118163.6 Ų163.672%0.72480%0.797SS**SBendtrans-104.628.7-171.8-26.50000113.2
311K28.3Very low27.5Very low206 Ų206159.8 Ų159.890%0.89680%0.799SS**SBendtrans-134.213.3-176.6-92.4-166.8173.4-174.30115.9
312S29.4Very low27.5Very low93 Ų93158.6 Ų158.665%0.6580%0.801SS**SBendtrans-127.534.1-179.566.20000112.9
313L28.9Very low27.3Very low159 Ų159157.7 Ų157.783%0.83281%0.805SS**SBendtrans-134.711.2-177.5-88.7166.4000113.6
314E26.5Very low27.5Very low197 Ų197155.7 Ų155.792%0.92180%0.8SS**SBendtrans-121.839.3179.5-66.2-164.6128.700112.7
315S26.3Very low27.3Very low96 Ų96156.4 Ų156.467%0.67181%0.805SS**  trans-151.579.3168.862.40000111
316D27.2Very low27.1Very low167 Ų167159.5 Ų159.589%0.89382%0.816SS**  trans-174.3108.1141.7-93.2-24.4000110.1
317K25.6Very low26.7Very low206 Ų206161.8 Ų161.890%0.89682%0.821SS**  trans-14262.1176.9-88.9-164.3178.4178.70111.5
318Q24.4Very low26.4Very low175 Ų175157.9 Ų157.982%0.81881%0.813SS**  trans-166.8112.9156.8-113.1159.9-15.800110.6
319Y25.6Very low26.2Very low224 Ų224155.9 Ų155.988%0.87881%0.81SS**  -176.9148.9120.3-87.2-61.2000108.4
320P27.4Very low25.8Very low120 Ų120152 Ų15278%0.77981%0.811SS**  trans-86.2157.7-169.234.4-35.3000113.5
321A23.7Very low25.6Very low99 Ų99151 Ų15182%0.81881%0.809SS**  trans-79.4148179.900000113.5
322L25.8Very low25.3Very low175 Ų175146.5 Ų146.592%0.91680%0.799SS**  trans-137168.5165.4-94.9168000110.8
323S25.5Very low25Very low104 Ų104150.6 Ų150.673%0.72781%0.805SS**  trans-94.2157.4-150.650.50000117
324P28.2Very low24.8Very low113 Ų113150.2 Ų150.273%0.73480%0.799SS**  trans-87.3139.8178.235-35000114.4
325N23.2Very low24.8Very low161 Ų161146.9 Ų146.986%0.86179%0.787SS**  trans161.9161157.5-84.9-21.7000106.1
326E26.8Very low24.6Very low187 Ų187147.9 Ų147.987%0.87479%0.79SS**  cis-134.4-175.122-67.1178.7122.200113
327Y21.4Very low24.5Very low228 Ų228146.4 Ų146.489%0.89479%0.787SS**  trans-123.9154.6174.7-117.4-99000110.5
328S22.7Very low24.5Very low95 Ų95143.9 Ų143.966%0.66478%0.783SS**  trans104.2132.8146.286.10000121.7
329I24.3Very low24.5Very low159 Ų159144.7 Ų144.782%0.81578%0.784SS**  trans65.9129.6137.5-64.4165.9000117.1
330S21.5Very low24.7Very low109 Ų109141.5 Ų141.576%0.76278%0.782SS**  cis-151.2-152.817.249.30000110.7
331S24.2Very low24.7Very low97 Ų97142.1 Ų142.168%0.67878%0.779SS**  cis-157.81276.158.90000115.8
332T23.1Very low24.8Very low113 Ų113141.8 Ų141.869%0.69377%0.77SS**  46118121.3-48.80000123.5
333K22.7Very low24.9Very low178 Ų178140.6 Ų140.677%0.77476%0.763SS**  trans68.1148.2155.6-67.6169.3178.2-178.40117.1
334Q24.3Very low25Very low152 Ų152142.2 Ų142.271%0.7176%0.761SS**  cis-150.4-170.2-5.3-120.3166.8-106.700107.5
335N26.2Very low24.9Very low127 Ų127142.2 Ų142.268%0.67976%0.755SS**  cis-139.9-128.917.4-153.625000112.4
336T22.7Very low25Very low117 Ų117141.9 Ų141.972%0.71875%0.753SS**  trans-145.5129-17355.30000116
337T24.7Very low24.9Very low136 Ų136141.4 Ų141.483%0.83475%0.749SS**  trans-155.7156.6146.43.70000110
338D26.3Very low25.1Very low152 Ų152135.7 Ų135.781%0.81374%0.737SS**  trans50.5122.3175.7-62.2-24.7000119.7
339K25Very low25.5Very low193 Ų193136.8 Ų136.884%0.83973%0.734SS**SBendtrans-114.611.2-160.3-132.7177.7-174.2179.80115.9
340N28.8Very low25.4Very low157 Ų157135.9 Ų135.984%0.8473%0.731SS**SBendtrans-110.6-18.1-171.4-76.1-15.5000116
341D27.8Very low25.9Very low133 Ų133134.9 Ų134.971%0.71172%0.716SS**SBendtrans-96.7-1-175.1-69.7-50.8000114.8I343 M344D341-I343 PolarHBondContact O-N 2.94Å; D341-M344 PolarHBondContact O-N 3.43Å
342S25.4Very low26.1Very low91 Ų91136.4 Ų136.464%0.63672%0.717SS**THydrogen-bonded Turntrans-69.61.5-166.859.50000116.8
343I28.7Very low26.7Very low151 Ų151139.2 Ų139.277%0.77472%0.722SS**THydrogen-bonded Turntrans-96.4-10.9-179.1-62.7179.9000112.5D341D341-I343 PolarHBondContact O-N 2.94Å
344M28.1Very low27.2Very low138 Ų138138 Ų13868%0.6872%0.724SS**SBendtrans-100.8-11.7-177.7-116.3-177.3179.600115.9D341 N346D341-M344 PolarHBondContact O-N 3.43Å; M344-N346 VanDerWaalsContact C-N 3.35Å; M344-N346 PolarHBondContact O-N 2.8Å
345N25Very low27.6Very low112 Ų112136.4 Ų136.460%0.59972%0.721SS**  trans-81.30.4-168.1-74.6-6.9000116.3F347 V348N345-F347 PolarHBondContact O-N 3.23Å; N345-V348 PolarHBondContact O-N 3.12Å
346N24.9Very low27.9Very low155 Ų155136.8 Ų136.883%0.82972%0.722SS**THydrogen-bonded Turntrans-76.130.7177.8-76.819000114.2M344M344-N346 VanDerWaalsContact C-N 3.35Å; M344-N346 PolarHBondContact O-N 2.8Å
347F26.1Very low28.5Very low177 Ų177136.1 Ų136.178%0.77671%0.714SS**THydrogen-bonded Turntrans-140.930.4170.6-120.8-83000112.8N345 I349N345-F347 PolarHBondContact O-N 3.23Å; F347-I349 PolarHBondContact O-N 3.11Å
348V24.9Very low29Very low108 Ų108136.8 Ų136.866%0.65571%0.712SS**  trans-77.2108.8159.6179.70000107.6N345 N350N345-V348 PolarHBondContact O-N 3.12Å; V348-N350 PolarHBondContact O-N 3.13Å
349I30.2Very low29.5Very low118 Ų118131 Ų13161%0.60568%0.684SS**  trans-78107.8169.6-57.3173.3000106.7F347 I351F347-I349 PolarHBondContact O-N 3.11Å; I349-I351 HydrophobicContact CG2-CG1 3.9Å
350N22.1Very low29.9Very low140 Ų140124.1 Ų124.175%0.74966%0.655SS**  trans-68.8128.3160.9-8712.7000108.1V348V348-N350 PolarHBondContact O-N 3.13Å
351I32.6Very low30.2Very low87 Ų87121 Ų12145%0.44664%0.639SS.*  trans-116.9116.2167-55.5178.3000104.7I349 Y363I349-I351 HydrophobicContact CG2-CG1 3.9Å; I351-Y363 HydrophobicContact CG2-CE2 4.38Å
352D29.5Very low30.5Very low129 Ų129117.3 Ų117.369%0.6962%0.619SS**  trans-69.2136.4172.5-75-56.3000109.7N354D352-N354 PolarHBondContact O-N 2.9Å
353E34.2Very low30.7Very low173 Ų173116.7 Ų116.781%0.80860%0.603SS**THydrogen-bonded Turntrans-73.216.9-169.4-60.5-170127.700115.1
354N33.6Very low31.1Very low153 Ų153111.8 Ų111.882%0.81858%0.582SS**THydrogen-bonded Turntrans-123.319.6-163.7-78.3-13.8000115.4D352D352-N354 PolarHBondContact O-N 2.9Å
355N32.7Very low31.3Very low118 Ų118108.3 Ų108.363%0.63156%0.564SS**SBendtrans-114.1143.2176.8-85.3-35.6000113
356D33.2Very low31.5Very low134 Ų134105.9 Ų105.972%0.71755%0.549SS*.  trans-62.5156-171.8-77-57.8000115.8N358 S359D356-N358 PolarHBondContact O-N 3.33Å; D356-S359 WeakPolarHBondContact O-CB 3.2Å; D356-S359 PolarHBondContact O-N 3.32Å; D356-S359 PolarHBondContact O-OG 3.19Å
357I35.8Very low32Very low104 Ų104101.5 Ų101.553%0.53353%0.531SS..G310 helixtrans-49.1-30-178.1-67.2166.4000113.8S359 I360I357-S359 PolarHBondContact O-N 3.2Å; I357-S359 VanDerWaalsContact O-N 3.12Å; I357-I360 PolarHBondContact O-N 3.33Å
358N34.9Very low32.5Very low150 Ų15098.8 Ų98.880%0.80252%0.524SS*.G310 helixtrans-58.6-23.1175.9-74.9-36.3000113.5D356D356-N358 PolarHBondContact O-N 3.33Å
359S35.6Very low32.8Very low31 Ų3198.9 Ų98.922%0.21752%0.517CS..G310 helixtrans-74.4-19.3-179.864.90000114.3D356 I357 D362 Y363D356-S359 WeakPolarHBondContact O-CB 3.2Å; D356-S359 PolarHBondContact O-N 3.32Å; D356-S359 PolarHBondContact O-OG 3.19Å; I357-S359 PolarHBondContact O-N 3.2Å; I357-S359 VanDerWaalsContact O-N 3.12Å; S359-D362 CarbonylContact O-C 3.57Å; S359-D362 WeakPolarHBondContact O-CA 3.32Å; S359-D362 PolarHBondContact O-N 3.18Å; S359-D362 VanDerWaalsContact O-N 3.16Å; S359-Y363 WeakPolarHBondContact O-CD2 3.3Å; S359-Y363 PolarHBondContact O-N 3.41Å
360I34.4Very low32.9Very low48 Ų4899 Ų9925%0.24652%0.519CS..Hα-helixtrans-76.1-43-169.1-59.3173.6000112.3I357 D362 Y363 S364 L583 E586I357-I360 PolarHBondContact O-N 3.33Å; I360-D362 PolarHBondContact O-N 3.5Å; I360-Y363 PolarHBondContact O-N 3.34Å; I360-S364 PolarHBondContact O-N 3.01Å; I360-L583 HydrophobicContact CG2-CD2 3.83Å; I360-E586 HydrophobicContact CD1-CB 4.48Å; I360-E586 HydrophobicContact CD1-CG 3.59Å
361D34.7Very low33.7Very low91 Ų9195.9 Ų95.949%0.48750%0.5SS..Hα-helixtrans-62.7-23.1170.2-109.522.8000111.2K3 S364 Q365K3-D361 WeakPolarHBondContact CE-OD2 3.48Å; K3-D361 VanDerWaalsContact NZ-CG 3.27Å; K3-D361 IonicContact NZ-OD1 3.26Å; K3-D361 PolarHBondContact NZ-OD1 3.25Å; K3-D361 VanDerWaalsContact NZ-OD1 3.08Å; K3-D361 IonicContact NZ-OD2 3.22Å; K3-D361 PolarHBondContact NZ-OD2 2.81Å; D361-S364 PolarHBondContact O-OG 3.22Å; D361-Q365 PolarHBondContact O-NE2 3.18Å
362D33.6Very low33.9Very low56 Ų5695.4 Ų95.430%0.29950%0.503SS..Hα-helixtrans-89-36.9177-16252000113.1S359 I360 S364 Q365 Q366 Q369S359-D362 CarbonylContact O-C 3.57Å; S359-D362 WeakPolarHBondContact O-CA 3.32Å; S359-D362 PolarHBondContact O-N 3.18Å; S359-D362 VanDerWaalsContact O-N 3.16Å; I360-D362 PolarHBondContact O-N 3.5Å; D362-S364 VanDerWaalsContact C-N 3.32Å; D362-S364 PolarHBondContact O-N 2.86Å; D362-Q365 CarbonylContact O-C 3.59Å; D362-Q365 VanDerWaalsContact O-CA 3.3Å; D362-Q365 WeakPolarHBondContact O-CA 3.22Å; D362-Q365 WeakPolarHBondContact O-CB 3.4Å; D362-Q365 PolarHBondContact O-N 3.32Å; D362-Q366 WeakPolarHBondContact O-CG 3.22Å; D362-Q366 PolarHBondContact O-N 3.46Å; D362-Q366 PolarHBondContact OD2-NE2 2.8Å; D362-Q369 PolarHBondContact OD1-NE2 3.41Å
363Y30.4Very low34.6Very low78 Ų7897.3 Ų97.331%0.30650%0.5SS..Hα-helixtrans-61.8-38.2176.4-84.1-60.1000112.8I351 S359 I360 Q365 Q366 S367I351-Y363 HydrophobicContact CG2-CE2 4.38Å; S359-Y363 WeakPolarHBondContact O-CD2 3.3Å; S359-Y363 PolarHBondContact O-N 3.41Å; I360-Y363 PolarHBondContact O-N 3.34Å; Y363-Q365 PolarHBondContact O-N 3.3Å; Y363-Q366 PolarHBondContact O-N 3.39Å; Y363-S367 PolarHBondContact O-N 3.09Å
364S35.8Very low35.1Very low48 Ų4896.2 Ų96.234%0.33650%0.499SS..Hα-helixtrans-60.6-37171.172.60000111.5I360 D361 D362 S367I360-S364 PolarHBondContact O-N 3.01Å; D361-S364 PolarHBondContact O-OG 3.22Å; D362-S364 VanDerWaalsContact C-N 3.32Å; D362-S364 PolarHBondContact O-N 2.86Å; S364-S367 PolarHBondContact O-OG 2.77Å
365Q32.8Very low36.3Very low64 Ų6492.2 Ų92.230%0.29948%0.476SS..Hα-helixtrans-75.5-32.9173-70.7179.283.200113.1D361 D362 Y363 S367 L368 Q369D361-Q365 PolarHBondContact O-NE2 3.18Å; D362-Q365 CarbonylContact O-C 3.59Å; D362-Q365 VanDerWaalsContact O-CA 3.3Å; D362-Q365 WeakPolarHBondContact O-CA 3.22Å; D362-Q365 WeakPolarHBondContact O-CB 3.4Å; D362-Q365 PolarHBondContact O-N 3.32Å; Y363-Q365 PolarHBondContact O-N 3.3Å; Q365-S367 VanDerWaalsContact C-N 3.26Å; Q365-S367 PolarHBondContact O-N 2.89Å; Q365-L368 CarbonylContact O-C 3.58Å; Q365-L368 VanDerWaalsContact O-CA 3.31Å; Q365-L368 WeakPolarHBondContact O-CA 3.12Å; Q365-L368 WeakPolarHBondContact O-CB 3.08Å; Q365-L368 PolarHBondContact O-N 3.27Å; Q365-Q369 WeakPolarHBondContact O-CG 3.49Å; Q365-Q369 PolarHBondContact O-N 3.09Å
366Q29.8Very low38Very low61 Ų6194.3 Ų94.329%0.28548%0.479SS..Hα-helixtrans-64-32.7177.9-73.5-178.719.100111.5D362 Y363 L368 Q369 N370D362-Q366 WeakPolarHBondContact O-CG 3.22Å; D362-Q366 PolarHBondContact O-N 3.46Å; D362-Q366 PolarHBondContact OD2-NE2 2.8Å; Y363-Q366 PolarHBondContact O-N 3.39Å; Q366-L368 PolarHBondContact O-N 3.17Å; Q366-L368 VanDerWaalsContact O-N 3.15Å; Q366-Q369 PolarHBondContact O-N 3.37Å; Q366-N370 VanDerWaalsContact O-CB 3.3Å; Q366-N370 WeakPolarHBondContact O-CB 3.33Å; Q366-N370 PolarHBondContact O-N 2.82Å; Q366-N370 PolarHBondContact O-ND2 2.89Å
367S35.5Very low40.1Very low63 Ų6393 Ų9344%0.44147%0.471SS..Hα-helixtrans-59.1-22.4168.881.60000113.7Y363 S364 Q365Y363-S367 PolarHBondContact O-N 3.09Å; S364-S367 PolarHBondContact O-OG 2.77Å; Q365-S367 VanDerWaalsContact C-N 3.26Å; Q365-S367 PolarHBondContact O-N 2.89Å
368L35.4Very low42.2Very low121 Ų12191.7 Ų91.763%0.63447%0.472SS*.Hα-helixtrans-104.1-21.8177.6-63.7165.5000113.6Q365 Q366Q365-L368 CarbonylContact O-C 3.58Å; Q365-L368 VanDerWaalsContact O-CA 3.31Å; Q365-L368 WeakPolarHBondContact O-CA 3.12Å; Q365-L368 WeakPolarHBondContact O-CB 3.08Å; Q365-L368 PolarHBondContact O-N 3.27Å; Q366-L368 PolarHBondContact O-N 3.17Å; Q366-L368 VanDerWaalsContact O-N 3.15Å
369Q32.6Very low44.6Very low109 Ų10986.3 Ų86.351%0.50945%0.448SS..Hα-helixtrans-81.3-37.7174.9-65.5175.13000111.5D362 Q365 Q366 H371D362-Q369 PolarHBondContact OD1-NE2 3.41Å; Q365-Q369 WeakPolarHBondContact O-CG 3.49Å; Q365-Q369 PolarHBondContact O-N 3.09Å; Q366-Q369 PolarHBondContact O-N 3.37Å; Q369-H371 PolarHBondContact O-N 2.98Å
370N32.4Very low47Very low122 Ų12285.1 Ų85.165%0.65244%0.44SS*.SBendtrans-72.817.1-179.5-74.1-31.5000114.6Q366 P372Q366-N370 VanDerWaalsContact O-CB 3.3Å; Q366-N370 WeakPolarHBondContact O-CB 3.33Å; Q366-N370 PolarHBondContact O-N 2.82Å; Q366-N370 PolarHBondContact O-ND2 2.89Å; N370-P372 VanDerWaalsContact C-CD 3.47Å; N370-P372 WeakPolarHBondContact O-CD 3.46Å
371H39.3Very low49.5Very low74 Ų7484.7 Ų84.734%0.34344%0.438SS..SBendtrans-98.687.5157.5-109.829.6000109Q369 R373 E375Q369-H371 PolarHBondContact O-N 2.98Å; H371-R373 PolarHBondContact O-N 2.83Å; H371-E375 IonicContact CE1-OE2 2.94Å
372P35.8Very low52.2Low77 Ų7787.5 Ų87.550%0.545%0.446SS..  trans-59.4133.5171.426.4-34000108.5N370 N374 E375N370-P372 VanDerWaalsContact C-CD 3.47Å; N370-P372 WeakPolarHBondContact O-CD 3.46Å; P372-N374 PolarHBondContact O-N 3.23Å; P372-E375 HydrophobicContact CG-CG 4.04Å; P372-E375 PolarHBondContact O-N 3.44Å
373R45Very low55Low169 Ų16989.6 Ų89.664%0.63845%0.45SS*.THydrogen-bonded Turntrans-57.9-4.7177.2-80.2-175.1179.11482.2114.6S268 H371S268-R373 PolarHBondContact OG-NH1 3.43Å; H371-R373 PolarHBondContact O-N 2.83Å
374N44Very low57.9Low149 Ų14986 Ų8680%0.79744%0.436SS*.THydrogen-bonded Turntrans-109.57.8-179.3-62.9-14.1000113.5P372 K376P372-N374 PolarHBondContact O-N 3.23Å; N374-K376 PolarHBondContact O-N 3.01Å
375E58Low60.6Low69 Ų6988.3 Ų88.332%0.32244%0.44SS..SBendtrans-55.2114.4161-94.9-124.211400108.2H371 P372 I377 R383H371-E375 IonicContact CE1-OE2 2.94Å; P372-E375 HydrophobicContact CG-CG 4.04Å; P372-E375 PolarHBondContact O-N 3.44Å; E375-I377 PolarHBondContact O-N 2.98Å; E375-R383 VanDerWaalsContact CD-NH1 3.27Å; E375-R383 IonicContact OE1-CZ 2.64Å; E375-R383 IonicContact OE1-NH1 2.68Å; E375-R383 PolarHBondContact OE1-NH1 3.31Å; E375-R383 IonicContact OE1-NH2 2.7Å; E375-R383 IonicContact OE2-CZ 2.83Å; E375-R383 VanDerWaalsContact OE2-CZ 3.27Å; E375-R383 IonicContact OE2-NH1 2.64Å; E375-R383 PolarHBondContact OE2-NH1 2.82Å; E375-R383 IonicContact OE2-NH2 2.75Å; E375-R383 PolarHBondContact OE2-NH2 3.45Å
376K68.7Low63.5Low162 Ų16292.2 Ų92.270%0.70446%0.456SS*.  trans-61.6129.6-179.8-67.9179.5177.8177.30108.1N374 S378 A379N374-K376 PolarHBondContact O-N 3.01Å; K376-S378 WeakPolarHBondContact CB-OG 3.28Å; K376-S378 PolarHBondContact O-N 3.11Å; K376-A379 WeakPolarHBondContact O-CB 3.5Å; K376-A379 PolarHBondContact O-N 2.93Å
377I76.9Confident66.5Low106 Ų10690.3 Ų90.354%0.54445%0.448SS..Hα-helixtrans-50.8-33.8179.5-64.4170.4000111.4E375 A379 A380 L381 L516E375-I377 PolarHBondContact O-N 2.98Å; I377-A379 PolarHBondContact O-N 2.61Å; I377-A380 PolarHBondContact O-N 3.44Å; I377-L381 HydrophobicContact CG2-CD1 3.96Å; I377-L381 HydrophobicContact CG2-CG 4Å; I377-L381 WeakPolarHBondContact O-CB 3.47Å; I377-L381 VanDerWaalsContact O-CG 3.28Å; I377-L381 WeakPolarHBondContact O-CG 3.48Å; I377-L381 PolarHBondContact O-N 3.27Å; I377-L516 HydrophobicContact CG2-CD1 4.44Å
378S79.9Confident69.3Low78 Ų7893.2 Ų93.255%0.54546%0.457SS..Hα-helixtrans-56.1-29.5173.158.10000115.3K376 K382K376-S378 WeakPolarHBondContact CB-OG 3.28Å; K376-S378 PolarHBondContact O-N 3.11Å; S378-K382 VanDerWaalsContact O-CB 3.24Å; S378-K382 WeakPolarHBondContact O-CB 3.32Å; S378-K382 PolarHBondContact O-N 3.09Å; S378-K382 VanDerWaalsContact O-N 3.11Å
379A86.8Confident72.1Confident36 Ų3688.3 Ų88.330%0.29843%0.432SS..Hα-helixtrans-74.7-49.6176.600000111.1K376 I377 L381 K382 R383K376-A379 WeakPolarHBondContact O-CB 3.5Å; K376-A379 PolarHBondContact O-N 2.93Å; I377-A379 PolarHBondContact O-N 2.61Å; A379-L381 PolarHBondContact O-N 3.21Å; A379-K382 CarbonylContact O-C 3.38Å; A379-K382 PolarHBondContact O-N 2.97Å; A379-K382 VanDerWaalsContact O-N 3.08Å; A379-R383 PolarHBondContact O-N 3.48Å
380A84.9Confident75Confident7 Ų783.1 Ų83.16%0.05841%0.408CS..Hα-helixtrans-57.2-48173.100000111.7I377 K382 R383 L384 E512 L516I377-A380 PolarHBondContact O-N 3.44Å; A380-K382 VanDerWaalsContact C-N 3.29Å; A380-K382 PolarHBondContact O-N 3.46Å; A380-R383 PolarHBondContact O-N 2.77Å; A380-L384 WeakPolarHBondContact O-CB 3.05Å; A380-L384 WeakPolarHBondContact O-CG 3.4Å; A380-L384 PolarHBondContact O-N 3.25Å; A380-E512 VanDerWaalsContact CB-OE2 3.32Å; A380-E512 WeakPolarHBondContact CB-OE2 3.34Å; A380-L516 HydrophobicContact CB-CD2 3.59Å
381L88.4Confident78.1Confident39 Ų3979.2 Ų79.220%0.20439%0.388CS..Hα-helixtrans-54.9-42.8172.6-68.6178.7000112.1I377 A379 R383 L384 F385 L516 L520I377-L381 HydrophobicContact CG2-CD1 3.96Å; I377-L381 HydrophobicContact CG2-CG 4Å; I377-L381 WeakPolarHBondContact O-CB 3.47Å; I377-L381 VanDerWaalsContact O-CG 3.28Å; I377-L381 WeakPolarHBondContact O-CG 3.48Å; I377-L381 PolarHBondContact O-N 3.27Å; A379-L381 PolarHBondContact O-N 3.21Å; L381-R383 VanDerWaalsContact C-N 3.32Å; L381-R383 PolarHBondContact O-N 3.48Å; L381-L384 PolarHBondContact O-N 3.23Å; L381-F385 HydrophobicContact CD2-CE2 4.42Å; L381-F385 WeakPolarHBondContact O-CD2 3.38Å; L381-F385 PolarHBondContact O-N 3.25Å; L381-L516 HydrophobicContact CD2-CD1 4.15Å; L381-L520 HydrophobicContact CD2-CD1 3.8Å; L381-L520 HydrophobicContact CD2-CD2 3.83Å; L381-L520 HydrophobicContact CD2-CG 4.21Å
382K90.9Very high80.8Confident150 Ų15077.2 Ų77.265%0.65238%0.38SS*.Hα-helixtrans-71-22.7179-170.3174.3-175.91780113.6S378 A379 A380 K386S378-K382 VanDerWaalsContact O-CB 3.24Å; S378-K382 WeakPolarHBondContact O-CB 3.32Å; S378-K382 PolarHBondContact O-N 3.09Å; S378-K382 VanDerWaalsContact O-N 3.11Å; A379-K382 CarbonylContact O-C 3.38Å; A379-K382 PolarHBondContact O-N 2.97Å; A379-K382 VanDerWaalsContact O-N 3.08Å; A380-K382 VanDerWaalsContact C-N 3.29Å; A380-K382 PolarHBondContact O-N 3.46Å; K382-K386 VanDerWaalsContact O-CG 3.31Å; K382-K386 WeakPolarHBondContact O-CG 3.34Å
383R91.2Very high83.7Confident100 Ų10073.5 Ų73.538%0.37736%0.356SS..Hα-helixtrans-79.3-46.6169.7-67.1-174.7-57.1-1180.4110.9E375 A379 A380 L381 K386 N387 E512E375-R383 VanDerWaalsContact CD-NH1 3.27Å; E375-R383 IonicContact OE1-CZ 2.64Å; E375-R383 IonicContact OE1-NH1 2.68Å; E375-R383 PolarHBondContact OE1-NH1 3.31Å; E375-R383 IonicContact OE1-NH2 2.7Å; E375-R383 IonicContact OE2-CZ 2.83Å; E375-R383 VanDerWaalsContact OE2-CZ 3.27Å; E375-R383 IonicContact OE2-NH1 2.64Å; E375-R383 PolarHBondContact OE2-NH1 2.82Å; E375-R383 IonicContact OE2-NH2 2.75Å; E375-R383 PolarHBondContact OE2-NH2 3.45Å; A379-R383 PolarHBondContact O-N 3.48Å; A380-R383 PolarHBondContact O-N 2.77Å; L381-R383 VanDerWaalsContact C-N 3.32Å; L381-R383 PolarHBondContact O-N 3.48Å; R383-K386 WeakPolarHBondContact O-CB 3.44Å; R383-K386 PolarHBondContact O-N 3.37Å; R383-K386 VanDerWaalsContact O-N 3.08Å; R383-N387 PolarHBondContact O-N 3.49Å; R383-E512 IonicContact CZ-OE1 2.64Å; R383-E512 IonicContact NE-OE1 3.07Å; R383-E512 PolarHBondContact NE-OE1 3.35Å; R383-E512 IonicContact NH2-OE1 3.99Å; R383-E512 PolarHBondContact NH2-OE1 3.04Å; R383-E512 IonicContact NH2-OE2 2.59Å; R383-E512 PolarHBondContact NH2-OE2 3.2Å
384L91.3Very high86.1Confident2 Ų266.7 Ų66.71%0.0133%0.331CS..Hα-helixtrans-57.1-51.8177-71.1167.7000112.2A380 L381 K386 N387 F390 T509 E512 L516 L520A380-L384 WeakPolarHBondContact O-CB 3.05Å; A380-L384 WeakPolarHBondContact O-CG 3.4Å; A380-L384 PolarHBondContact O-N 3.25Å; L381-L384 PolarHBondContact O-N 3.23Å; L384-K386 PolarHBondContact O-N 2.95Å; L384-K386 VanDerWaalsContact O-N 3.13Å; L384-N387 WeakPolarHBondContact O-CB 3.31Å; L384-N387 PolarHBondContact O-N 3.33Å; L384-F390 HydrophobicContact CB-CD1 4.03Å; L384-F390 HydrophobicContact CB-CE1 3.94Å; L384-F390 HydrophobicContact CD2-CD1 4.29Å; L384-F390 HydrophobicContact CD2-CE1 4.31Å; L384-F390 HydrophobicContact CD2-CG 4.45Å; L384-F390 HydrophobicContact CD2-CZ 4.48Å; L384-F390 WeakPolarHBondContact O-CD1 3.27Å; L384-T509 HydrophobicContact CD2-CG2 3.31Å; L384-E512 HydrophobicContact CD2-CB 4.16Å; L384-E512 HydrophobicContact CD2-CG 3.9Å; L384-E512 HydrophobicContact CG-CG 4.15Å; L384-L516 HydrophobicContact CD1-CD2 3.67Å; L384-L516 HydrophobicContact CD1-CG 3.85Å; L384-L520 HydrophobicContact CB-CD1 4.48Å; L384-L520 HydrophobicContact CD1-CD1 3.73Å
385F93.7Very high88.7Confident97 Ų9762 Ų6243%0.42531%0.305SS..THydrogen-bonded Turntrans-74.32.9177.6-73.7-72.7000114.8L381 V391 F394 L520L381-F385 HydrophobicContact CD2-CE2 4.42Å; L381-F385 WeakPolarHBondContact O-CD2 3.38Å; L381-F385 PolarHBondContact O-N 3.25Å; F385-V391 HydrophobicContact CD1-CG2 4.14Å; F385-F394 HydrophobicContact CE1-CD1 4.23Å; F385-F394 HydrophobicContact CE1-CD2 4.26Å; F385-F394 HydrophobicContact CE1-CE1 4.19Å; F385-F394 HydrophobicContact CE1-CE2 4.21Å; F385-F394 HydrophobicContact CE1-CG 4.28Å; F385-F394 HydrophobicContact CE1-CZ 4.18Å; F385-F394 HydrophobicContact CZ-CD2 4.21Å; F385-F394 HydrophobicContact CZ-CE1 4.46Å; F385-F394 AromaticContact CZ-CE2 3.84Å; F385-F394 HydrophobicContact CZ-CE2 3.84Å; F385-F394 AromaticContact CZ-CZ 3.99Å; F385-F394 HydrophobicContact CZ-CZ 3.99Å; F385-L520 HydrophobicContact CE2-CD1 4.19Å; F385-L520 HydrophobicContact CE2-CD2 4.13Å; F385-L520 HydrophobicContact CZ-CD2 4.27Å
386K93.6Very high90.6Very high146 Ų14658.7 Ų58.764%0.63529%0.29SS*.THydrogen-bonded Turntrans-97.1-17.4164.3-82.6-177.6166.9-159.30113.3K382 R383 L384 I388K382-K386 VanDerWaalsContact O-CG 3.31Å; K382-K386 WeakPolarHBondContact O-CG 3.34Å; R383-K386 WeakPolarHBondContact O-CB 3.44Å; R383-K386 PolarHBondContact O-N 3.37Å; R383-K386 VanDerWaalsContact O-N 3.08Å; L384-K386 PolarHBondContact O-N 2.95Å; L384-K386 VanDerWaalsContact O-N 3.13Å; K386-I388 PolarHBondContact O-N 2.93Å
387N91.8Very high91.9Very high21 Ų2151.1 Ų51.111%0.11226%0.257CS..  trans-80.498.8179178.4-26.3000109R383 L384 P389 F390 V391 L508R383-N387 PolarHBondContact O-N 3.49Å; L384-N387 WeakPolarHBondContact O-CB 3.31Å; L384-N387 PolarHBondContact O-N 3.33Å; N387-P389 VanDerWaalsContact OD1-CD 3.24Å; N387-P389 WeakPolarHBondContact OD1-CD 3.38Å; N387-F390 HydrophobicContact CB-CB 3.99Å; N387-F390 WeakPolarHBondContact O-CA 3.33Å; N387-F390 WeakPolarHBondContact O-CB 3.21Å; N387-F390 PolarHBondContact O-N 3.34Å; N387-F390 PolarHBondContact OD1-N 3.23Å; N387-F390 VanDerWaalsContact OD1-N 3.09Å; N387-V391 WeakPolarHBondContact O-CG2 3.37Å; N387-V391 PolarHBondContact O-N 3.02Å; N387-L508 PolarHBondContact ND2-O 3.32Å
388I94.4Very high92.9Very high123 Ų12346 Ų4663%0.63123%0.231SC*.Hα-helixtrans-55.7-46.3-175.6-64.5170.9000112.5K386 F390 V391 L392K386-I388 PolarHBondContact O-N 2.93Å; I388-F390 VanDerWaalsContact C-N 3.32Å; I388-F390 PolarHBondContact O-N 3.08Å; I388-V391 PolarHBondContact O-N 2.74Å; I388-V391 VanDerWaalsContact O-N 3.15Å; I388-L392 HydrophobicContact CG2-CD1 4.23Å; I388-L392 HydrophobicContact CG2-CG 4.34Å; I388-L392 WeakPolarHBondContact O-CG 3.34Å; I388-L392 PolarHBondContact O-N 2.74Å
389P94.6Very high93.8Very high18 Ų1842.7 Ų42.712%0.11721%0.207CC..Hα-helixtrans-51.1-44.6169.9-30.535.6000114.5N387 L393 L508 I566 K567N387-P389 VanDerWaalsContact OD1-CD 3.24Å; N387-P389 WeakPolarHBondContact OD1-CD 3.38Å; P389-L393 WeakPolarHBondContact O-CB 3.42Å; P389-L393 PolarHBondContact O-N 3.37Å; P389-L508 HydrophobicContact CB-CD1 4.03Å; P389-L508 HydrophobicContact CB-CD2 3.91Å; P389-I566 HydrophobicContact CB-CG2 4.26Å; P389-K567 HydrophobicContact CG-CB 4.25Å
390F94.3Very high94.3Very high0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-68-38.5175.8177.5-100.2000112.7L384 N387 I388 L393 F394 A505 T509 L520L384-F390 HydrophobicContact CB-CD1 4.03Å; L384-F390 HydrophobicContact CB-CE1 3.94Å; L384-F390 HydrophobicContact CD2-CD1 4.29Å; L384-F390 HydrophobicContact CD2-CE1 4.31Å; L384-F390 HydrophobicContact CD2-CG 4.45Å; L384-F390 HydrophobicContact CD2-CZ 4.48Å; L384-F390 WeakPolarHBondContact O-CD1 3.27Å; N387-F390 HydrophobicContact CB-CB 3.99Å; N387-F390 WeakPolarHBondContact O-CA 3.33Å; N387-F390 WeakPolarHBondContact O-CB 3.21Å; N387-F390 PolarHBondContact O-N 3.34Å; N387-F390 PolarHBondContact OD1-N 3.23Å; N387-F390 VanDerWaalsContact OD1-N 3.09Å; I388-F390 VanDerWaalsContact C-N 3.32Å; I388-F390 PolarHBondContact O-N 3.08Å; F390-L393 PolarHBondContact O-N 3.2Å; F390-F394 HydrophobicContact CE1-CB 4.45Å; F390-F394 HydrophobicContact CE1-CD2 4.42Å; F390-F394 HydrophobicContact CZ-CD2 4.37Å; F390-F394 VanDerWaalsContact O-CB 3.27Å; F390-F394 WeakPolarHBondContact O-CB 3.2Å; F390-F394 PolarHBondContact O-N 3.01Å; F390-A505 HydrophobicContact CD2-CB 4.34Å; F390-A505 HydrophobicContact CE2-CB 4.15Å; F390-T509 HydrophobicContact CB-CG2 4.01Å; F390-T509 HydrophobicContact CD2-CG2 3.3Å; F390-T509 HydrophobicContact CE2-CG2 3.91Å; F390-T509 HydrophobicContact CG-CG2 3.71Å; F390-L520 HydrophobicContact CE1-CD1 3.97Å; F390-L520 HydrophobicContact CZ-CB 4.06Å; F390-L520 HydrophobicContact CZ-CD1 3.84Å
391V96.5Very high94.8Very high40 Ų4040.7 Ų40.724%0.24219%0.19CC..Hα-helixtrans-66.2-39.4177.1175.10000111.6F385 N387 I388 F394 I395F385-V391 HydrophobicContact CD1-CG2 4.14Å; N387-V391 WeakPolarHBondContact O-CG2 3.37Å; N387-V391 PolarHBondContact O-N 3.02Å; I388-V391 PolarHBondContact O-N 2.74Å; I388-V391 VanDerWaalsContact O-N 3.15Å; V391-F394 PolarHBondContact O-N 3.11Å; V391-I395 HydrophobicContact CG1-CD1 4.17Å; V391-I395 WeakPolarHBondContact O-CG1 3.47Å; V391-I395 PolarHBondContact O-N 3Å; V391-I395 VanDerWaalsContact O-N 3.15Å
392L96.9Very high95.3Very high32 Ų3238.8 Ų38.817%0.16818%0.18CC..Hα-helixtrans-61.1-47.4172.7-71.5175.5000111.1I388 I395 S396 M562 L565 I566I388-L392 HydrophobicContact CG2-CD1 4.23Å; I388-L392 HydrophobicContact CG2-CG 4.34Å; I388-L392 WeakPolarHBondContact O-CG 3.34Å; I388-L392 PolarHBondContact O-N 2.74Å; L392-I395 PolarHBondContact O-N 3.35Å; L392-S396 WeakPolarHBondContact O-CB 3.42Å; L392-S396 PolarHBondContact O-N 2.93Å; L392-S396 PolarHBondContact O-OG 3.43Å; L392-M562 HydrophobicContact CD2-CB 4.39Å; L392-M562 HydrophobicContact CD2-CE 3.67Å; L392-L565 HydrophobicContact CD1-CB 4.08Å; L392-I566 HydrophobicContact CB-CG1 3.83Å; L392-I566 HydrophobicContact CD1-CG1 4.47Å
393L95.7Very high95.6Very high0 Ų031.7 Ų31.70%015%0.149CC..Hα-helixtrans-62.8-42.1176.4-17960.9000112.6P389 F390 I395 S396 Y397 L504 A505 L508 L521 I566P389-L393 WeakPolarHBondContact O-CB 3.42Å; P389-L393 PolarHBondContact O-N 3.37Å; F390-L393 PolarHBondContact O-N 3.2Å; L393-I395 VanDerWaalsContact C-N 3.28Å; L393-I395 PolarHBondContact O-N 2.87Å; L393-S396 WeakPolarHBondContact CA-OG 3.21Å; L393-S396 PolarHBondContact O-N 3.38Å; L393-S396 PolarHBondContact O-OG 2.9Å; L393-Y397 WeakPolarHBondContact O-CB 3.45Å; L393-Y397 PolarHBondContact O-N 3.43Å; L393-L504 HydrophobicContact CD1-CD2 4.01Å; L393-L504 HydrophobicContact CD2-CB 4.24Å; L393-L504 HydrophobicContact CD2-CD2 4.1Å; L393-L504 HydrophobicContact CD2-CG 3.89Å; L393-A505 HydrophobicContact CD2-CB 3.86Å; L393-L508 HydrophobicContact CD2-CD1 4.08Å; L393-L521 HydrophobicContact CG-CD2 4.27Å; L393-I566 HydrophobicContact CB-CD1 3.93Å; L393-I566 HydrophobicContact CD1-CD1 4.09Å
394F96.6Very high95.9Very high25 Ų2527.3 Ų27.311%0.1113%0.133CC..Hα-helixtrans-56.7-44.4177.9176.3-85000111F385 F390 V391 G398 L520 S524F385-F394 HydrophobicContact CE1-CD1 4.23Å; F385-F394 HydrophobicContact CE1-CD2 4.26Å; F385-F394 HydrophobicContact CE1-CE1 4.19Å; F385-F394 HydrophobicContact CE1-CE2 4.21Å; F385-F394 HydrophobicContact CE1-CG 4.28Å; F385-F394 HydrophobicContact CE1-CZ 4.18Å; F385-F394 HydrophobicContact CZ-CD2 4.21Å; F385-F394 HydrophobicContact CZ-CE1 4.46Å; F385-F394 AromaticContact CZ-CE2 3.84Å; F385-F394 HydrophobicContact CZ-CE2 3.84Å; F385-F394 AromaticContact CZ-CZ 3.99Å; F385-F394 HydrophobicContact CZ-CZ 3.99Å; F390-F394 HydrophobicContact CE1-CB 4.45Å; F390-F394 HydrophobicContact CE1-CD2 4.42Å; F390-F394 HydrophobicContact CZ-CD2 4.37Å; F390-F394 VanDerWaalsContact O-CB 3.27Å; F390-F394 WeakPolarHBondContact O-CB 3.2Å; F390-F394 PolarHBondContact O-N 3.01Å; V391-F394 PolarHBondContact O-N 3.11Å; F394-G398 PolarHBondContact O-N 3.43Å; F394-G398 VanDerWaalsContact O-N 3.14Å; F394-L520 HydrophobicContact CD2-CB 4.16Å; F394-L520 HydrophobicContact CE2-CB 4.01Å; F394-L520 HydrophobicContact CE2-CD2 4.44Å; F394-L520 VanDerWaalsContact CE2-O 3.25Å; F394-L520 WeakPolarHBondContact CE2-O 3.42Å; F394-S524 WeakPolarHBondContact CE1-OG 3.45Å; F394-S524 WeakPolarHBondContact O-CB 3.4Å; F394-S524 PolarHBondContact O-OG 3.01Å
395I97.7Very high96.2Very high50 Ų5028.4 Ų28.426%0.25614%0.137SC..Hα-helixtrans-74-46.8178.9-63.8167.7000111.1V391 L392 L393 Y397 G398 I399 F528 M562V391-I395 HydrophobicContact CG1-CD1 4.17Å; V391-I395 WeakPolarHBondContact O-CG1 3.47Å; V391-I395 PolarHBondContact O-N 3Å; V391-I395 VanDerWaalsContact O-N 3.15Å; L392-I395 PolarHBondContact O-N 3.35Å; L393-I395 VanDerWaalsContact C-N 3.28Å; L393-I395 PolarHBondContact O-N 2.87Å; I395-Y397 PolarHBondContact O-N 2.85Å; I395-G398 PolarHBondContact O-N 3.13Å; I395-I399 HydrophobicContact CG2-CD1 3.82Å; I395-I399 HydrophobicContact CG2-CG1 4.39Å; I395-I399 WeakPolarHBondContact O-CG1 3.4Å; I395-I399 PolarHBondContact O-N 3.19Å; I395-F528 HydrophobicContact CG2-CE2 4.47Å; I395-F528 HydrophobicContact CG2-CZ 3.89Å; I395-M562 HydrophobicContact CB-CE 3.63Å; I395-M562 HydrophobicContact CB-SD 4.26Å; I395-M562 HydrophobicContact CD1-CE 3.81Å; I395-M562 HydrophobicContact CG1-CE 4.31Å; I395-M562 HydrophobicContact CG2-CE 3.53Å; I395-M562 HydrophobicContact CG2-SD 3.57Å; I395-M562 VanDerWaalsContact CG2-SD 3.57Å
396S97.2Very high96.4Very high0 Ų023.8 Ų23.80%012%0.117CC..Hα-helixtrans-65.6-39-17868.20000112.7L392 L393 I399 L400 Y461 Y497 G559 T563L392-S396 WeakPolarHBondContact O-CB 3.42Å; L392-S396 PolarHBondContact O-N 2.93Å; L392-S396 PolarHBondContact O-OG 3.43Å; L393-S396 WeakPolarHBondContact CA-OG 3.21Å; L393-S396 PolarHBondContact O-N 3.38Å; L393-S396 PolarHBondContact O-OG 2.9Å; S396-I399 PolarHBondContact O-N 3.1Å; S396-L400 PolarHBondContact O-N 3.3Å; S396-Y461 PolarHBondContact O-OH 3.39Å; S396-Y461 VanDerWaalsContact O-OH 3.11Å; S396-Y497 PolarHBondContact OG-OH 3.42Å; S396-G559 WeakPolarHBondContact CB-O 3.35Å; S396-T563 WeakPolarHBondContact CB-OG1 3.39Å; S396-T563 PolarHBondContact OG-OG1 3.4Å
397Y96.8Very high96.6Very high3 Ų316.9 Ų16.91%0.0129%0.087CC..Hα-helixtrans-65-42.1173.2-173.1-81.5000112.1L393 I395 T401 Y497 L498 F502 L521 A525L393-Y397 WeakPolarHBondContact O-CB 3.45Å; L393-Y397 PolarHBondContact O-N 3.43Å; I395-Y397 PolarHBondContact O-N 2.85Å; Y397-T401 WeakPolarHBondContact CE1-OG1 3.49Å; Y397-T401 VanDerWaalsContact O-CB 3.25Å; Y397-T401 WeakPolarHBondContact O-CB 3.33Å; Y397-T401 PolarHBondContact O-N 2.87Å; Y397-T401 PolarHBondContact O-OG1 2.89Å; Y397-Y497 HydrophobicContact CD2-CD1 4.03Å; Y397-Y497 AromaticContact CD2-CE1 3.83Å; Y397-Y497 HydrophobicContact CD2-CE1 3.83Å; Y397-Y497 HydrophobicContact CG-CE1 4.38Å; Y397-L498 WeakPolarHBondContact CE2-O 3.48Å; Y397-L498 PolarHBondContact OH-O 3.23Å; Y397-F502 HydrophobicContact CE1-CE1 4.41Å; Y397-F502 HydrophobicContact CE2-CE1 4.46Å; Y397-F502 AromaticContact CZ-CE1 3.85Å; Y397-F502 WeakPolarHBondContact OH-CE1 3.43Å; Y397-F502 WeakPolarHBondContact OH-CZ 3.41Å; Y397-L521 HydrophobicContact CD1-CB 3.84Å; Y397-L521 HydrophobicContact CD1-CD2 4.13Å; Y397-L521 HydrophobicContact CD1-CG 4.46Å; Y397-L521 WeakPolarHBondContact CD1-O 3.38Å; Y397-L521 HydrophobicContact CD2-CD1 4.24Å; Y397-L521 HydrophobicContact CD2-CD2 4.42Å; Y397-L521 HydrophobicContact CE1-CB 3.88Å; Y397-L521 WeakPolarHBondContact CE1-O 3.34Å; Y397-L521 HydrophobicContact CE2-CD1 4.41Å; Y397-L521 HydrophobicContact CG-CB 4.27Å; Y397-L521 HydrophobicContact CG-CD1 4.43Å; Y397-L521 HydrophobicContact CG-CD2 3.87Å; Y397-L521 HydrophobicContact CG-CG 4.42Å; Y397-A525 HydrophobicContact CD1-CB 4.5Å; Y397-A525 HydrophobicContact CE1-CB 4.2Å
398G97.8Very high96.8Very high0 Ų016 Ų160%08%0.083CC..Hα-helixtrans-56.5-52.7173.200000111.2F394 I395 G402 S524 F528F394-G398 PolarHBondContact O-N 3.43Å; F394-G398 VanDerWaalsContact O-N 3.14Å; I395-G398 PolarHBondContact O-N 3.13Å; G398-G402 WeakPolarHBondContact O-CA 3.22Å; G398-G402 PolarHBondContact O-N 2.89Å; G398-S524 WeakPolarHBondContact CA-OG 3.5Å; G398-F528 WeakPolarHBondContact O-CB 3.22Å
399I98.2Very high97Very high8 Ų810.1 Ų10.14%0.0415%0.053CC..Hα-helixtrans-56.1-56.1177.6-68.9169.1000111.3I395 S396 T401 G402 V403 Y461 F528 L555I395-I399 HydrophobicContact CG2-CD1 3.82Å; I395-I399 HydrophobicContact CG2-CG1 4.39Å; I395-I399 WeakPolarHBondContact O-CG1 3.4Å; I395-I399 PolarHBondContact O-N 3.19Å; S396-I399 PolarHBondContact O-N 3.1Å; I399-T401 PolarHBondContact O-N 3.34Å; I399-G402 PolarHBondContact O-N 3.05Å; I399-V403 VanDerWaalsContact O-CG2 3.31Å; I399-V403 WeakPolarHBondContact O-CG2 3.26Å; I399-V403 PolarHBondContact O-N 3.17Å; I399-Y461 WeakPolarHBondContact CG2-OH 3.49Å; I399-F528 HydrophobicContact CD1-CE1 4.34Å; I399-F528 HydrophobicContact CG1-CD1 3.7Å; I399-F528 HydrophobicContact CG1-CE1 3.59Å; I399-F528 HydrophobicContact CG1-CG 4.42Å; I399-F528 HydrophobicContact CG1-CZ 4.23Å; I399-L555 HydrophobicContact CG2-CB 4.25Å; I399-L555 VanDerWaalsContact CG2-O 3.28Å; I399-L555 WeakPolarHBondContact CG2-O 3.36Å
400L97.8Very high97.1Very high0 Ų09.4 Ų9.40%05%0.048CC..Hα-helixtrans-65.2-43.6-173.9-165.761.4000112.4S396 G402 V403 Y404 Y461 M494 Y497 T556S396-L400 PolarHBondContact O-N 3.3Å; L400-G402 VanDerWaalsContact C-N 3.35Å; L400-V403 PolarHBondContact O-N 3.33Å; L400-Y404 PolarHBondContact O-N 3.5Å; L400-Y461 HydrophobicContact CB-CE1 4.36Å; L400-Y461 HydrophobicContact CB-CE2 3.92Å; L400-Y461 WeakPolarHBondContact CB-OH 3.45Å; L400-Y461 HydrophobicContact CD1-CD1 4.28Å; L400-Y461 HydrophobicContact CD1-CE1 3.77Å; L400-Y461 HydrophobicContact CD2-CD1 4.48Å; L400-Y461 HydrophobicContact CD2-CD2 4.2Å; L400-Y461 HydrophobicContact CD2-CE1 4.43Å; L400-Y461 HydrophobicContact CD2-CE2 4.13Å; L400-Y461 HydrophobicContact CD2-CG 4.36Å; L400-Y461 HydrophobicContact CG-CE1 4.42Å; L400-Y461 HydrophobicContact CG-CE2 4.47Å; L400-Y461 PolarHBondContact N-OH 2.84Å; L400-M494 HydrophobicContact CD1-CE 3.96Å; L400-M494 HydrophobicContact CD1-CG 4.03Å; L400-M494 HydrophobicContact CG-CG 4.31Å; L400-Y497 HydrophobicContact CD2-CD1 3.77Å; L400-Y497 HydrophobicContact CD2-CD2 3.94Å; L400-Y497 HydrophobicContact CD2-CE1 4.43Å; L400-Y497 HydrophobicContact CD2-CG 3.47Å; L400-Y497 VanDerWaalsContact CD2-CG 3.47Å; L400-T556 HydrophobicContact CD1-CG2 4Å
401T96.5Very high97.2Very high0 Ų09.4 Ų9.40%05%0.048CC..Hα-helixtrans-69.2-37-180-470000111.1Y397 I399 Y404 Y405 L498 A525Y397-T401 WeakPolarHBondContact CE1-OG1 3.49Å; Y397-T401 VanDerWaalsContact O-CB 3.25Å; Y397-T401 WeakPolarHBondContact O-CB 3.33Å; Y397-T401 PolarHBondContact O-N 2.87Å; Y397-T401 PolarHBondContact O-OG1 2.89Å; I399-T401 PolarHBondContact O-N 3.34Å; T401-Y404 WeakPolarHBondContact O-CB 3.36Å; T401-Y404 PolarHBondContact O-N 2.9Å; T401-Y405 HydrophobicContact CG2-CD1 4.33Å; T401-Y405 HydrophobicContact CG2-CE1 3.77Å; T401-Y405 HydrophobicContact CG2-CE2 4.09Å; T401-Y405 WeakPolarHBondContact O-CD1 3.37Å; T401-Y405 VanDerWaalsContact O-CG 3.25Å; T401-Y405 PolarHBondContact O-N 3.11Å; T401-L498 HydrophobicContact CG2-CD1 4.01Å; T401-L498 HydrophobicContact CG2-CD2 3.99Å; T401-L498 HydrophobicContact CG2-CG 4.06Å; T401-L498 WeakPolarHBondContact OG1-CD1 3.41Å; T401-A525 HydrophobicContact CG2-CB 3.46Å; T401-A525 VanDerWaalsContact CG2-CB 3.46Å
402G97.8Very high97.1Very high0 Ų07.5 Ų7.50%04%0.036CC..Hα-helixtrans-67.4-35.2173.600000113.1G398 I399 L400 Y405 A406G398-G402 WeakPolarHBondContact O-CA 3.22Å; G398-G402 PolarHBondContact O-N 2.89Å; I399-G402 PolarHBondContact O-N 3.05Å; L400-G402 VanDerWaalsContact C-N 3.35Å; G402-Y405 PolarHBondContact O-N 3.44Å; G402-A406 VanDerWaalsContact O-CB 3.32Å; G402-A406 WeakPolarHBondContact O-CB 3.42Å; G402-A406 PolarHBondContact O-N 3.19Å
403V98.1Very high96.9Very high0 Ų06.8 Ų6.80%03%0.034CC..Hα-helixtrans-66-43.1171.2169.40000110.3I399 L400 Y405 A406 V407 M468 M494 L532 L552I399-V403 VanDerWaalsContact O-CG2 3.31Å; I399-V403 WeakPolarHBondContact O-CG2 3.26Å; I399-V403 PolarHBondContact O-N 3.17Å; L400-V403 PolarHBondContact O-N 3.33Å; V403-Y405 PolarHBondContact O-N 3.35Å; V403-A406 PolarHBondContact O-N 3.07Å; V403-A406 VanDerWaalsContact O-N 3.16Å; V403-V407 HydrophobicContact CG1-CG2 4.25Å; V403-V407 WeakPolarHBondContact O-CG2 3.15Å; V403-V407 PolarHBondContact O-N 3.11Å; V403-M468 HydrophobicContact CG1-SD 4.29Å; V403-M494 HydrophobicContact CG1-CE 3.71Å; V403-L532 HydrophobicContact CG2-CD1 3.86Å; V403-L552 HydrophobicContact CG1-CB 4.23Å; V403-L552 HydrophobicContact CG2-CB 4.45Å; V403-L552 HydrophobicContact CG2-CD2 4.17Å
404Y97Very high96.9Very high8 Ų86.8 Ų6.83%0.0313%0.034CC..Hα-helixtrans-59.8-43.4174176.5-106.1000112.1Q183 L400 T401 G408 M432 I433 M494 T495Q183-Y404 PolarHBondContact NE2-OH 3.05Å; L400-Y404 PolarHBondContact O-N 3.5Å; T401-Y404 WeakPolarHBondContact O-CB 3.36Å; T401-Y404 PolarHBondContact O-N 2.9Å; Y404-G408 PolarHBondContact O-N 3.13Å; Y404-M432 HydrophobicContact CD2-CE 4.4Å; Y404-M432 HydrophobicContact CD2-SD 4.39Å; Y404-M432 HydrophobicContact CE2-CE 4.08Å; Y404-M432 HydrophobicContact CE2-CG 4.27Å; Y404-M432 HydrophobicContact CE2-SD 4.26Å; Y404-I433 HydrophobicContact CE2-CD1 4.43Å; Y404-I433 WeakPolarHBondContact OH-CD1 3.3Å; Y404-M494 HydrophobicContact CD2-CB 3.82Å; Y404-M494 HydrophobicContact CD2-SD 4.08Å; Y404-M494 HydrophobicContact CE2-CB 4.47Å; Y404-M494 HydrophobicContact CG-CB 4.37Å; Y404-T495 PolarHBondContact OH-OG1 2.91Å
405Y97.6Very high96.7Very high26 Ų265.6 Ų5.610%0.1023%0.029CC..Hα-helixtrans-64.2-36.8172.9-66.6-9.9000112.8W35 M73 T401 G402 V403 T409 A525W35-Y405 AromaticContact CH2-CD1 3.67Å; W35-Y405 HydrophobicContact CH2-CD1 3.67Å; W35-Y405 HydrophobicContact CH2-CE1 4.09Å; W35-Y405 HydrophobicContact CH2-CG 4.18Å; W35-Y405 HydrophobicContact CZ2-CD1 4.16Å; W35-Y405 HydrophobicContact CZ2-CG 4.21Å; M73-Y405 HydrophobicContact CE-CD2 3.88Å; M73-Y405 HydrophobicContact CE-CG 4.16Å; M73-Y405 HydrophobicContact SD-CD2 4.3Å; T401-Y405 HydrophobicContact CG2-CD1 4.33Å; T401-Y405 HydrophobicContact CG2-CE1 3.77Å; T401-Y405 HydrophobicContact CG2-CE2 4.09Å; T401-Y405 WeakPolarHBondContact O-CD1 3.37Å; T401-Y405 VanDerWaalsContact O-CG 3.25Å; T401-Y405 PolarHBondContact O-N 3.11Å; G402-Y405 PolarHBondContact O-N 3.44Å; V403-Y405 PolarHBondContact O-N 3.35Å; Y405-T409 VanDerWaalsContact O-CB 3.29Å; Y405-T409 WeakPolarHBondContact O-CB 3.34Å; Y405-T409 PolarHBondContact O-N 2.87Å; Y405-T409 PolarHBondContact O-OG1 3.26Å; Y405-A525 HydrophobicContact CE2-CB 4.06Å
406A98.3Very high96.3Very high0 Ų05.6 Ų5.60%03%0.029CC..Hα-helixtrans-70.7-47.1177.700000112.3G402 V403 G408 T409 L410 L532 I533 L552G402-A406 VanDerWaalsContact O-CB 3.32Å; G402-A406 WeakPolarHBondContact O-CB 3.42Å; G402-A406 PolarHBondContact O-N 3.19Å; V403-A406 PolarHBondContact O-N 3.07Å; V403-A406 VanDerWaalsContact O-N 3.16Å; A406-G408 VanDerWaalsContact C-N 3.3Å; A406-G408 PolarHBondContact O-N 3.46Å; A406-T409 PolarHBondContact O-N 3.45Å; A406-L410 VanDerWaalsContact O-CB 3.26Å; A406-L410 WeakPolarHBondContact O-CB 3.5Å; A406-L410 VanDerWaalsContact O-CG 3.26Å; A406-L410 WeakPolarHBondContact O-CG 3.24Å; A406-L410 PolarHBondContact O-N 2.91Å; A406-L532 HydrophobicContact CB-CB 4.23Å; A406-I533 HydrophobicContact CB-CG1 3.83Å; A406-L552 HydrophobicContact CB-CD1 4.13Å; A406-L552 HydrophobicContact CB-CD2 3.83Å
407V97.4Very high95.8Very high0 Ų07.8 Ų7.80%05%0.051CC..Hα-helixtrans-57.2-45.2172.8170.70000110.2V403 L411 M432 M468 F471 M487 L490 L552V403-V407 HydrophobicContact CG1-CG2 4.25Å; V403-V407 WeakPolarHBondContact O-CG2 3.15Å; V403-V407 PolarHBondContact O-N 3.11Å; V407-L411 WeakPolarHBondContact O-CA 3.38Å; V407-L411 VanDerWaalsContact O-CB 3.31Å; V407-L411 WeakPolarHBondContact O-CB 3.4Å; V407-L411 PolarHBondContact O-N 3.28Å; V407-L411 VanDerWaalsContact O-N 3.16Å; V407-M432 HydrophobicContact CG1-SD 4.03Å; V407-M468 HydrophobicContact CG2-CE 3.92Å; V407-M468 HydrophobicContact CG2-SD 3.74Å; V407-F471 HydrophobicContact CG1-CE1 4.48Å; V407-M487 HydrophobicContact CG1-CE 4.44Å; V407-L490 HydrophobicContact CG1-CD2 4.21Å; V407-L552 HydrophobicContact CG2-CD1 4.3Å
408G96.8Very high95.5Very high3 Ų39 Ų93%0.0316%0.056CC..Hα-helixtrans-64.1-47.4177.900000113.7F190 Y404 A406F190-G408 WeakPolarHBondContact CE1-O 3.28Å; F190-G408 WeakPolarHBondContact CZ-O 3.36Å; Y404-G408 PolarHBondContact O-N 3.13Å; A406-G408 VanDerWaalsContact C-N 3.3Å; A406-G408 PolarHBondContact O-N 3.46Å
409T97.9Very high95.1Very high0 Ų010.3 Ų10.30%06%0.062CC..Hα-helixtrans-64.4-46.1179.9-59.70000111.5N39 S69 Y405 A406 L411 I533N39-T409 HydrophobicContact CB-CG2 4.14Å; S69-T409 WeakPolarHBondContact CB-OG1 3.47Å; S69-T409 PolarHBondContact OG-OG1 3.04Å; Y405-T409 VanDerWaalsContact O-CB 3.29Å; Y405-T409 WeakPolarHBondContact O-CB 3.34Å; Y405-T409 PolarHBondContact O-N 2.87Å; Y405-T409 PolarHBondContact O-OG1 3.26Å; A406-T409 PolarHBondContact O-N 3.45Å; T409-L411 VanDerWaalsContact C-N 3.29Å; T409-L411 PolarHBondContact O-N 2.89Å; T409-I533 HydrophobicContact CG2-CD1 4.07Å; T409-I533 HydrophobicContact CG2-CG2 4.27Å; T409-I533 WeakPolarHBondContact OG1-CD1 3.38Å
410L97.1Very high94.2Very high2 Ų215.9 Ų15.91%0.0110%0.096CC..THydrogen-bonded Turntrans-86.12.8-172.6-58175.8000113D66 A406 N412 S413 I414 I533 A536 T537D66-L410 HydrophobicContact CB-CD2 4.38Å; D66-L410 WeakPolarHBondContact OD2-CD2 3.38Å; A406-L410 VanDerWaalsContact O-CB 3.26Å; A406-L410 WeakPolarHBondContact O-CB 3.5Å; A406-L410 VanDerWaalsContact O-CG 3.26Å; A406-L410 WeakPolarHBondContact O-CG 3.24Å; A406-L410 PolarHBondContact O-N 2.91Å; L410-N412 PolarHBondContact O-N 3.28Å; L410-S413 CarbonylContact O-C 3.54Å; L410-S413 PolarHBondContact O-N 2.95Å; L410-S413 VanDerWaalsContact O-N 3.14Å; L410-I414 HydrophobicContact CB-CD1 3.7Å; L410-I414 HydrophobicContact CB-CG1 4.12Å; L410-I414 WeakPolarHBondContact O-CB 3.39Å; L410-I414 VanDerWaalsContact O-CG1 3.3Å; L410-I414 WeakPolarHBondContact O-CG1 3.41Å; L410-I414 PolarHBondContact O-N 2.78Å; L410-I533 HydrophobicContact CD2-CG2 4.34Å; L410-A536 HydrophobicContact CD1-CB 3.8Å; L410-T537 WeakPolarHBondContact CD2-OG1 3.2Å
411L96.6Very high93.4Very high0 Ų019.1 Ų19.10%011%0.114CC..Hα-helixtrans-59.6-47.3-165-17357.4000114I40 F190 V407 T409 I414 L415 A428 G429 F471 M487I40-L411 HydrophobicContact CD1-CB 4.32Å; I40-L411 HydrophobicContact CD1-CD2 4.34Å; F190-L411 HydrophobicContact CD1-CD2 4.36Å; F190-L411 HydrophobicContact CE1-CB 4.42Å; F190-L411 HydrophobicContact CE1-CD2 4.01Å; V407-L411 WeakPolarHBondContact O-CA 3.38Å; V407-L411 VanDerWaalsContact O-CB 3.31Å; V407-L411 WeakPolarHBondContact O-CB 3.4Å; V407-L411 PolarHBondContact O-N 3.28Å; V407-L411 VanDerWaalsContact O-N 3.16Å; T409-L411 VanDerWaalsContact C-N 3.29Å; T409-L411 PolarHBondContact O-N 2.89Å; L411-I414 PolarHBondContact O-N 2.91Å; L411-L415 HydrophobicContact CD1-CD1 3.67Å; L411-L415 HydrophobicContact CD1-CG 4.01Å; L411-L415 HydrophobicContact CG-CD1 3.84Å; L411-L415 HydrophobicContact CG-CG 4.49Å; L411-L415 WeakPolarHBondContact O-CB 3.27Å; L411-L415 WeakPolarHBondContact O-CG 3.49Å; L411-L415 PolarHBondContact O-N 3.44Å; L411-A428 HydrophobicContact CD2-CB 4.44Å; L411-G429 VanDerWaalsContact CD2-N 3.32Å; L411-F471 HydrophobicContact CD1-CZ 4.22Å; L411-M487 HydrophobicContact CD1-CE 3.49Å; L411-M487 VanDerWaalsContact CD1-CE 3.49Å; L411-M487 HydrophobicContact CD1-SD 4.36Å; L411-M487 HydrophobicContact CD2-CE 3.65Å; L411-M487 HydrophobicContact CG-CE 4.24Å
412N94.4Very high92.6Very high1 Ų119.2 Ų19.21%0.00512%0.115CC..Hα-helixtrans-56.9-55.5174.5174.9-56000109.7I40 S42 D43 L410 I414 L415 L416I40-N412 HydrophobicContact CD1-CB 4.32Å; I40-N412 WeakPolarHBondContact O-CB 3.47Å; I40-N412 PolarHBondContact O-ND2 2.91Å; S42-N412 VanDerWaalsContact OG-CG 3.29Å; S42-N412 PolarHBondContact OG-OD1 3.38Å; S42-N412 VanDerWaalsContact OG-OD1 3.04Å; D43-N412 PolarHBondContact OD1-ND2 3.15Å; L410-N412 PolarHBondContact O-N 3.28Å; N412-I414 PolarHBondContact O-N 2.88Å; N412-I414 VanDerWaalsContact O-N 3.1Å; N412-L415 PolarHBondContact O-N 3.31Å; N412-L416 WeakPolarHBondContact O-CG 3.39Å; N412-L416 PolarHBondContact O-N 3.09Å; N412-L416 WeakPolarHBondContact OD1-CD1 3.25Å
413S91.8Very high92.1Very high16 Ų1621 Ų2111%0.11213%0.125CC..Hα-helixtrans-66.4-12.5-177.3-370000114.6S42 L410 R540S42-S413 PolarHBondContact OG-OG 3.25Å; L410-S413 CarbonylContact O-C 3.54Å; L410-S413 PolarHBondContact O-N 2.95Å; L410-S413 VanDerWaalsContact O-N 3.14Å; S413-R540 VanDerWaalsContact CB-NH1 3.27Å; S413-R540 PolarHBondContact O-NH1 3.06Å
414I94.7Very high91.7Very high0 Ų023.7 Ų23.70%014%0.14CC..Hα-helixtrans-87.8-49.3169.8-77.1167.5000110.2L410 L411 N412 G417 F471 L475 V545L410-I414 HydrophobicContact CB-CD1 3.7Å; L410-I414 HydrophobicContact CB-CG1 4.12Å; L410-I414 WeakPolarHBondContact O-CB 3.39Å; L410-I414 VanDerWaalsContact O-CG1 3.3Å; L410-I414 WeakPolarHBondContact O-CG1 3.41Å; L410-I414 PolarHBondContact O-N 2.78Å; L411-I414 PolarHBondContact O-N 2.91Å; N412-I414 PolarHBondContact O-N 2.88Å; N412-I414 VanDerWaalsContact O-N 3.1Å; I414-G417 PolarHBondContact O-N 3.48Å; I414-F471 HydrophobicContact CG2-CE1 4.12Å; I414-F471 HydrophobicContact CG2-CZ 3.83Å; I414-L475 HydrophobicContact CG2-CD1 3.96Å; I414-V545 HydrophobicContact CB-CG1 4.43Å; I414-V545 HydrophobicContact CG1-CG1 4.29Å; I414-V545 HydrophobicContact CG2-CG1 3.96Å
415L93.9Very high91.5Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-72.9-34.9-175.6-68.7173.7000112.5L411 N412 G417 Y418 F419 S425 A428 L475 M480 V483L411-L415 HydrophobicContact CD1-CD1 3.67Å; L411-L415 HydrophobicContact CD1-CG 4.01Å; L411-L415 HydrophobicContact CG-CD1 3.84Å; L411-L415 HydrophobicContact CG-CG 4.49Å; L411-L415 WeakPolarHBondContact O-CB 3.27Å; L411-L415 WeakPolarHBondContact O-CG 3.49Å; L411-L415 PolarHBondContact O-N 3.44Å; N412-L415 PolarHBondContact O-N 3.31Å; L415-G417 PolarHBondContact O-N 3.26Å; L415-G417 VanDerWaalsContact O-N 3.17Å; L415-Y418 PolarHBondContact O-N 3.4Å; L415-F419 HydrophobicContact CB-CD2 4.44Å; L415-F419 HydrophobicContact CD2-CD2 4.18Å; L415-F419 HydrophobicContact CD2-CE2 4.09Å; L415-F419 WeakPolarHBondContact O-CD2 3.47Å; L415-F419 PolarHBondContact O-N 2.7Å; L415-S425 WeakPolarHBondContact CB-OG 3.43Å; L415-A428 HydrophobicContact CD1-CB 3.99Å; L415-L475 HydrophobicContact CD2-CD2 3.62Å; L415-M480 HydrophobicContact CB-CE 4.27Å; L415-M480 HydrophobicContact CD1-CE 4.2Å; L415-M480 HydrophobicContact CD2-CE 4.26Å; L415-M480 HydrophobicContact CG-CE 4.48Å; L415-V483 HydrophobicContact CD2-CG1 3.97Å
416L88.8Confident91.4Very high51 Ų5122.1 Ų22.127%0.26713%0.134SC..THydrogen-bonded Turntrans-63.7-17.3173.4-68.4-171000113.7D43 N412 Y418 F419D43-L416 HydrophobicContact CB-CD1 3.59Å; N412-L416 WeakPolarHBondContact O-CG 3.39Å; N412-L416 PolarHBondContact O-N 3.09Å; N412-L416 WeakPolarHBondContact OD1-CD1 3.25Å; L416-Y418 PolarHBondContact O-N 3.34Å; L416-F419 WeakPolarHBondContact CA-O 3.43Å; L416-F419 WeakPolarHBondContact CD2-O 3.37Å
417G87.4Confident91.2Very high45 Ų4526.8 Ų26.846%0.46415%0.151SC..THydrogen-bonded Turntrans-69.5-10.8169.200000114.8I414 L415I414-G417 PolarHBondContact O-N 3.48Å; L415-G417 PolarHBondContact O-N 3.26Å; L415-G417 VanDerWaalsContact O-N 3.17Å
418Y90.3Very high91.2Very high28 Ų2826.8 Ų26.811%0.1115%0.151CC..THydrogen-bonded Turntrans-133.6-20.3-176.5-65.2-96000114.1L415 L416 L475 Y476 V545L415-Y418 PolarHBondContact O-N 3.4Å; L416-Y418 PolarHBondContact O-N 3.34Å; Y418-L475 HydrophobicContact CD1-CB 3.87Å; Y418-L475 WeakPolarHBondContact CD1-O 3.25Å; Y418-L475 HydrophobicContact CD2-CB 3.85Å; Y418-L475 HydrophobicContact CD2-CD1 4.25Å; Y418-L475 HydrophobicContact CD2-CD2 4.33Å; Y418-L475 HydrophobicContact CD2-CG 4.36Å; Y418-L475 HydrophobicContact CE1-CB 3.76Å; Y418-L475 HydrophobicContact CE2-CB 3.76Å; Y418-L475 HydrophobicContact CE2-CD1 3.89Å; Y418-L475 HydrophobicContact CE2-CG 4.33Å; Y418-L475 HydrophobicContact CG-CB 3.91Å; Y418-Y476 HydrophobicContact CE1-CD1 4.23Å; Y418-Y476 HydrophobicContact CE1-CD2 4.2Å; Y418-Y476 HydrophobicContact CE1-CE1 4.33Å; Y418-Y476 HydrophobicContact CE1-CE2 4.28Å; Y418-Y476 HydrophobicContact CE1-CG 4.17Å; Y418-Y476 VanDerWaalsContact OH-CE2 3.3Å; Y418-Y476 WeakPolarHBondContact OH-CE2 3.36Å; Y418-V545 HydrophobicContact CE2-CB 3.81Å; Y418-V545 HydrophobicContact CE2-CG1 3.88Å; Y418-V545 HydrophobicContact CE2-CG2 3.98Å
419F88.6Confident91.2Very high28 Ų2826.7 Ų26.712%0.12315%0.15CC..  trans-140.2144.6-171.3-55.8-83.2000111.3L415 L416 L475 R478 M480 V483L415-F419 HydrophobicContact CB-CD2 4.44Å; L415-F419 HydrophobicContact CD2-CD2 4.18Å; L415-F419 HydrophobicContact CD2-CE2 4.09Å; L415-F419 WeakPolarHBondContact O-CD2 3.47Å; L415-F419 PolarHBondContact O-N 2.7Å; L416-F419 WeakPolarHBondContact CA-O 3.43Å; L416-F419 WeakPolarHBondContact CD2-O 3.37Å; F419-L475 HydrophobicContact CE2-CD2 4.13Å; F419-R478 HydrophobicContact CE1-CB 4.3Å; F419-R478 WeakPolarHBondContact CE1-O 3.04Å; F419-M480 HydrophobicContact CB-CE 3.84Å; F419-M480 HydrophobicContact CD1-CE 4.18Å; F419-M480 HydrophobicContact CD1-CG 3.72Å; F419-M480 HydrophobicContact CD1-SD 4.36Å; F419-M480 HydrophobicContact CD2-CE 3.52Å; F419-M480 HydrophobicContact CD2-CG 4.44Å; F419-M480 HydrophobicContact CD2-SD 4.02Å; F419-M480 HydrophobicContact CE1-CB 4.32Å; F419-M480 HydrophobicContact CE1-CG 3.6Å; F419-M480 HydrophobicContact CE1-SD 4.22Å; F419-M480 HydrophobicContact CE2-CE 4.04Å; F419-M480 HydrophobicContact CE2-CG 4.37Å; F419-M480 HydrophobicContact CE2-SD 3.91Å; F419-M480 HydrophobicContact CG-CE 3.6Å; F419-M480 HydrophobicContact CG-CG 4.14Å; F419-M480 HydrophobicContact CG-SD 4.25Å; F419-M480 HydrophobicContact CZ-CG 3.96Å; F419-M480 HydrophobicContact CZ-SD 4Å; F419-V483 HydrophobicContact CE2-CG2 4.16Å; F419-V483 HydrophobicContact CZ-CG2 4.02Å
420T80.3Confident91.2Very high125 Ų12528.8 Ų28.877%0.76716%0.159SC*.SBendtrans-90.3-7.6-177.953.20000115.5
421N80.6Confident91.2Very high68 Ų6830.2 Ų30.236%0.36417%0.168SC..  trans-99.4104.9-172.7-174.3-48.8000111.7T423 L424N421-T423 WeakPolarHBondContact OD1-CA 3.26Å; N421-T423 WeakPolarHBondContact OD1-CB 3.41Å; N421-T423 PolarHBondContact OD1-N 3.5Å; N421-L424 HydrophobicContact CB-CD1 4.07Å; N421-L424 HydrophobicContact CB-CG 4.21Å; N421-L424 PolarHBondContact O-N 3.3Å; N421-L424 PolarHBondContact OD1-N 3.26Å
422S78.6Confident91.2Very high3 Ų330.3 Ų30.32%0.02117%0.169CC..Hα-helixtrans-67.7-31.9179.3480000113.8D43 S199 L424 S425 G426D43-S422 WeakPolarHBondContact OD2-CB 3.33Å; D43-S422 PolarHBondContact OD2-OG 3.09Å; S199-S422 PolarHBondContact OG-OG 2.96Å; S422-L424 VanDerWaalsContact C-N 3.32Å; S422-L424 PolarHBondContact O-N 2.97Å; S422-S425 VanDerWaalsContact O-CB 3.28Å; S422-S425 WeakPolarHBondContact O-CB 3.46Å; S422-S425 PolarHBondContact O-N 2.64Å; S422-G426 PolarHBondContact O-N 3.27Å
423T87.4Confident91.4Very high36 Ų3630.4 Ų30.422%0.22117%0.169CC..Hα-helixtrans-59.7-39.2175.8-56.60000112.6P194 L195 N421 S425 G426 W427P194-T423 WeakPolarHBondContact O-CB 3.23Å; P194-T423 VanDerWaalsContact O-CG2 3.29Å; P194-T423 WeakPolarHBondContact O-CG2 3.34Å; P194-T423 PolarHBondContact O-OG1 3.41Å; L195-T423 HydrophobicContact CD2-CG2 4.23Å; N421-T423 WeakPolarHBondContact OD1-CA 3.26Å; N421-T423 WeakPolarHBondContact OD1-CB 3.41Å; N421-T423 PolarHBondContact OD1-N 3.5Å; T423-S425 PolarHBondContact O-N 3.31Å; T423-G426 PolarHBondContact O-N 2.75Å; T423-W427 VanDerWaalsContact O-CD1 3.31Å; T423-W427 PolarHBondContact O-N 3.44Å
424L91Very high91.6Very high58 Ų5831.7 Ų31.730%0.30417%0.174SC..Hα-helixtrans-65.2-27.1176.5-67.4179.9000112.9N421 S422 W427 A428 M480 F484N421-L424 HydrophobicContact CB-CD1 4.07Å; N421-L424 HydrophobicContact CB-CG 4.21Å; N421-L424 PolarHBondContact O-N 3.3Å; N421-L424 PolarHBondContact OD1-N 3.26Å; S422-L424 VanDerWaalsContact C-N 3.32Å; S422-L424 PolarHBondContact O-N 2.97Å; L424-W427 PolarHBondContact O-N 2.91Å; L424-A428 WeakPolarHBondContact O-CB 3.29Å; L424-A428 PolarHBondContact O-N 3Å; L424-M480 HydrophobicContact CB-CE 3.86Å; L424-M480 HydrophobicContact CB-CG 4.49Å; L424-M480 HydrophobicContact CB-SD 4.48Å; L424-M480 HydrophobicContact CD1-CB 4.39Å; L424-M480 HydrophobicContact CD1-CG 3.94Å; L424-F484 HydrophobicContact CD2-CE2 4.46Å; L424-F484 HydrophobicContact CD2-CZ 4.33Å
425S92.3Very high91.7Very high0 Ų031.7 Ų31.70%017%0.174CC..Hα-helixtrans-65.9-41.4174.4-55.50000111.7L415 S422 T423 A428 G429L415-S425 WeakPolarHBondContact CB-OG 3.43Å; S422-S425 VanDerWaalsContact O-CB 3.28Å; S422-S425 WeakPolarHBondContact O-CB 3.46Å; S422-S425 PolarHBondContact O-N 2.64Å; T423-S425 PolarHBondContact O-N 3.31Å; S425-A428 PolarHBondContact O-N 2.96Å; S425-G429 PolarHBondContact O-N 3.24Å; S425-G429 VanDerWaalsContact O-N 3.09Å
426G94.5Very high91.8Very high1 Ų131.7 Ų31.71%0.0117%0.174CC..Hα-helixtrans-58.7-47.9173.300000112.8F190 S422 T423 A428 G429 F430F190-G426 CarbonylContact O-C 3.37Å; F190-G426 WeakPolarHBondContact O-CA 3.46Å; S422-G426 PolarHBondContact O-N 3.27Å; T423-G426 PolarHBondContact O-N 2.75Å; G426-A428 PolarHBondContact O-N 2.75Å; G426-G429 PolarHBondContact O-N 2.93Å; G426-F430 PolarHBondContact O-N 3.28Å
427W95.7Very high92Very high98 Ų9830.4 Ų30.437%0.37117%0.167SC..Hα-helixtrans-61.6-40.8175.3-75.4104.8000112.6L191 L195 T423 L424 G429 F430 T431 F484L191-W427 HydrophobicContact CD1-CD2 3.76Å; L191-W427 HydrophobicContact CD1-CE3 3.7Å; L191-W427 HydrophobicContact CD1-CH2 3.58Å; L191-W427 HydrophobicContact CD1-CZ2 3.62Å; L191-W427 HydrophobicContact CD1-CZ3 3.61Å; L195-W427 HydrophobicContact CD1-CZ2 4.29Å; L195-W427 HydrophobicContact CD2-CZ2 4.28Å; T423-W427 VanDerWaalsContact O-CD1 3.31Å; T423-W427 PolarHBondContact O-N 3.44Å; L424-W427 PolarHBondContact O-N 2.91Å; W427-G429 VanDerWaalsContact C-N 3.3Å; W427-G429 PolarHBondContact O-N 3.35Å; W427-F430 AromaticContact CE3-CD1 3.99Å; W427-F430 HydrophobicContact CE3-CD1 3.99Å; W427-F430 HydrophobicContact CZ3-CD1 4.08Å; W427-F430 HydrophobicContact CZ3-CE1 4.18Å; W427-F430 PolarHBondContact O-N 3.23Å; W427-T431 PolarHBondContact O-N 3.47Å; W427-T431 PolarHBondContact O-OG1 3.03Å; W427-T431 VanDerWaalsContact O-OG1 3.11Å; W427-F484 HydrophobicContact CB-CE1 3.67Å; W427-F484 HydrophobicContact CB-CZ 3.78Å
428A96.3Very high92.3Very high0 Ų033.9 Ų33.90%017%0.17CC..Hα-helixtrans-62.1-38.9178.500000112.1L411 L415 L424 S425 G426 M432 F484 M487L411-A428 HydrophobicContact CD2-CB 4.44Å; L415-A428 HydrophobicContact CD1-CB 3.99Å; L424-A428 WeakPolarHBondContact O-CB 3.29Å; L424-A428 PolarHBondContact O-N 3Å; S425-A428 PolarHBondContact O-N 2.96Å; G426-A428 PolarHBondContact O-N 2.75Å; A428-M432 PolarHBondContact O-N 3.37Å; A428-M432 VanDerWaalsContact O-N 3.17Å; A428-F484 HydrophobicContact CB-CD1 4.49Å; A428-F484 HydrophobicContact CB-CE1 4.19Å; A428-M487 HydrophobicContact CB-CG 4.47Å
429G96.8Very high92.4Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-67.6-45.5173.400000112.4L411 S425 G426 W427 T431 M432 I433L411-G429 VanDerWaalsContact CD2-N 3.32Å; S425-G429 PolarHBondContact O-N 3.24Å; S425-G429 VanDerWaalsContact O-N 3.09Å; G426-G429 PolarHBondContact O-N 2.93Å; W427-G429 VanDerWaalsContact C-N 3.3Å; W427-G429 PolarHBondContact O-N 3.35Å; G429-T431 VanDerWaalsContact C-N 3.33Å; G429-T431 PolarHBondContact O-N 2.91Å; G429-M432 WeakPolarHBondContact O-CB 3.16Å; G429-M432 PolarHBondContact O-N 2.9Å; G429-M432 VanDerWaalsContact O-N 3.12Å; G429-I433 WeakPolarHBondContact O-CG1 3.11Å; G429-I433 PolarHBondContact O-N 3Å
430F97.6Very high92.5Very high45 Ų4531.7 Ų31.720%0.19716%0.162CC..Hα-helixtrans-55-47.1174176-98.4000111.8A187 F190 L191 G426 W427 M432 I433 I434A187-F430 HydrophobicContact CB-CD2 3.86Å; A187-F430 HydrophobicContact CB-CE2 4.1Å; F190-F430 HydrophobicContact CB-CB 4.43Å; L191-F430 HydrophobicContact CB-CB 4.31Å; L191-F430 HydrophobicContact CB-CD2 3.81Å; L191-F430 HydrophobicContact CB-CE2 4.48Å; L191-F430 HydrophobicContact CB-CG 4.26Å; L191-F430 HydrophobicContact CD1-CG 4.45Å; L191-F430 HydrophobicContact CD2-CD2 3.86Å; L191-F430 HydrophobicContact CD2-CE2 3.73Å; L191-F430 HydrophobicContact CD2-CG 4.42Å; L191-F430 HydrophobicContact CD2-CZ 4.19Å; L191-F430 HydrophobicContact CG-CD2 4.31Å; G426-F430 PolarHBondContact O-N 3.28Å; W427-F430 AromaticContact CE3-CD1 3.99Å; W427-F430 HydrophobicContact CE3-CD1 3.99Å; W427-F430 HydrophobicContact CZ3-CD1 4.08Å; W427-F430 HydrophobicContact CZ3-CE1 4.18Å; W427-F430 PolarHBondContact O-N 3.23Å; F430-M432 VanDerWaalsContact C-N 3.34Å; F430-M432 PolarHBondContact O-N 3.44Å; F430-I433 PolarHBondContact O-N 3.36Å; F430-I434 HydrophobicContact CD1-CG1 4.23Å; F430-I434 HydrophobicContact CD2-CG1 4.11Å; F430-I434 HydrophobicContact CE1-CG1 3.87Å; F430-I434 HydrophobicContact CE2-CD1 3.97Å; F430-I434 HydrophobicContact CE2-CG1 3.75Å; F430-I434 HydrophobicContact CG-CG1 4.35Å; F430-I434 HydrophobicContact CZ-CD1 4.06Å; F430-I434 HydrophobicContact CZ-CG1 3.62Å; F430-I434 WeakPolarHBondContact O-CG1 3.06Å; F430-I434 PolarHBondContact O-N 2.72Å
431T97.6Very high93Very high32 Ų3229 Ų2920%0.19615%0.145CC..Hα-helixtrans-56.2-45.2175.1-640000112.1W427 G429 A435 F488W427-T431 PolarHBondContact O-N 3.47Å; W427-T431 PolarHBondContact O-OG1 3.03Å; W427-T431 VanDerWaalsContact O-OG1 3.11Å; G429-T431 VanDerWaalsContact C-N 3.33Å; G429-T431 PolarHBondContact O-N 2.91Å; T431-A435 WeakPolarHBondContact O-CB 3.42Å; T431-A435 PolarHBondContact O-N 3.34Å; T431-F488 HydrophobicContact CG2-CB 3.86Å; T431-F488 HydrophobicContact CG2-CD2 4.31Å
432M97.1Very high93.5Very high2 Ų229.4 Ų29.41%0.0115%0.147CC..Hα-helixtrans-61.7-44.4178-175.1-175.169.800112.6Y404 V407 A428 G429 F430 G436 M487 G491Y404-M432 HydrophobicContact CD2-CE 4.4Å; Y404-M432 HydrophobicContact CD2-SD 4.39Å; Y404-M432 HydrophobicContact CE2-CE 4.08Å; Y404-M432 HydrophobicContact CE2-CG 4.27Å; Y404-M432 HydrophobicContact CE2-SD 4.26Å; V407-M432 HydrophobicContact CG1-SD 4.03Å; A428-M432 PolarHBondContact O-N 3.37Å; A428-M432 VanDerWaalsContact O-N 3.17Å; G429-M432 WeakPolarHBondContact O-CB 3.16Å; G429-M432 PolarHBondContact O-N 2.9Å; G429-M432 VanDerWaalsContact O-N 3.12Å; F430-M432 VanDerWaalsContact C-N 3.34Å; F430-M432 PolarHBondContact O-N 3.44Å; M432-G436 PolarHBondContact O-N 3.24Å; M432-M487 WeakPolarHBondContact CA-O 3.47Å; M432-M487 HydrophobicContact CB-CB 4.41Å; M432-M487 HydrophobicContact CB-CE 3.99Å; M432-M487 HydrophobicContact CG-CE 4.31Å; M432-M487 HydrophobicContact SD-CE 3.68Å; M432-M487 HydrophobicContact SD-SD 4.5Å; M432-G491 VanDerWaalsContact CG-CA 3.44Å; M432-G491 WeakPolarHBondContact O-CA 3.42Å
433I97Very high94.1Very high2 Ų229.5 Ų29.51%0.0115%0.147CC..Hα-helixtrans-69.6-44.8-179.8-55-54.5000111.6Q183 V186 A187 F190 Y404 G429 F430 G436 I437Q183-I433 HydrophobicContact CB-CG2 4.31Å; Q183-I433 WeakPolarHBondContact O-CG2 3.42Å; V186-I433 HydrophobicContact CB-CG1 4.43Å; V186-I433 HydrophobicContact CB-CG2 4.31Å; V186-I433 HydrophobicContact CG1-CD1 3.78Å; V186-I433 HydrophobicContact CG1-CG1 3.92Å; A187-I433 HydrophobicContact CB-CB 4.01Å; A187-I433 HydrophobicContact CB-CG2 3.81Å; F190-I433 HydrophobicContact CD2-CD1 4.32Å; F190-I433 HydrophobicContact CD2-CG1 3.67Å; F190-I433 HydrophobicContact CE2-CD1 3.87Å; F190-I433 HydrophobicContact CE2-CG1 3.74Å; Y404-I433 HydrophobicContact CE2-CD1 4.43Å; Y404-I433 WeakPolarHBondContact OH-CD1 3.3Å; G429-I433 WeakPolarHBondContact O-CG1 3.11Å; G429-I433 PolarHBondContact O-N 3Å; F430-I433 PolarHBondContact O-N 3.36Å; I433-G436 WeakPolarHBondContact O-CA 3.49Å; I433-G436 PolarHBondContact O-N 3.2Å; I433-G436 VanDerWaalsContact O-N 3.14Å; I433-I437 PolarHBondContact O-N 3.04Å
434I96.9Very high94Very high44 Ų4428.4 Ų28.423%0.22614%0.143CC..Hα-helixtrans-64-44.2179.2-65-59.3000111.1L184 A187 F430 G436 I437 F438L184-I434 HydrophobicContact CD2-CD1 4.35Å; A187-I434 HydrophobicContact CB-CD1 4.01Å; A187-I434 HydrophobicContact CB-CG1 4.43Å; F430-I434 HydrophobicContact CD1-CG1 4.23Å; F430-I434 HydrophobicContact CD2-CG1 4.11Å; F430-I434 HydrophobicContact CE1-CG1 3.87Å; F430-I434 HydrophobicContact CE2-CD1 3.97Å; F430-I434 HydrophobicContact CE2-CG1 3.75Å; F430-I434 HydrophobicContact CG-CG1 4.35Å; F430-I434 HydrophobicContact CZ-CD1 4.06Å; F430-I434 HydrophobicContact CZ-CG1 3.62Å; F430-I434 WeakPolarHBondContact O-CG1 3.06Å; F430-I434 PolarHBondContact O-N 2.72Å; I434-G436 PolarHBondContact O-N 3.23Å; I434-I437 HydrophobicContact CD1-CD1 4.26Å; I434-I437 PolarHBondContact O-N 3.27Å; I434-F438 HydrophobicContact CG2-CD2 4.22Å; I434-F438 HydrophobicContact CG2-CE2 3.86Å; I434-F438 VanDerWaalsContact O-CD2 3.27Å; I434-F438 WeakPolarHBondContact O-CD2 3.42Å; I434-F438 PolarHBondContact O-N 3.11Å
435A96.8Very high93.8Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-60.7-36.8173.600000111.9T431 F438 G439 F488 F492T431-A435 WeakPolarHBondContact O-CB 3.42Å; T431-A435 PolarHBondContact O-N 3.34Å; A435-F438 PolarHBondContact O-N 2.89Å; A435-G439 PolarHBondContact O-N 3.48Å; A435-F488 HydrophobicContact CB-CB 4.18Å; A435-F488 HydrophobicContact CB-CD1 4.18Å; A435-F488 HydrophobicContact CB-CD2 3.39Å; A435-F488 HydrophobicContact CB-CE1 4.41Å; A435-F488 HydrophobicContact CB-CE2 3.68Å; A435-F488 HydrophobicContact CB-CG 3.65Å; A435-F488 HydrophobicContact CB-CZ 4.18Å; A435-F488 WeakPolarHBondContact CB-O 3.31Å; A435-F492 HydrophobicContact CB-CB 4.41Å
436G95.2Very high93.7Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-61-39.5173.500000114.5M432 I433 I434 G439 S440 G491 T495M432-G436 PolarHBondContact O-N 3.24Å; I433-G436 WeakPolarHBondContact O-CA 3.49Å; I433-G436 PolarHBondContact O-N 3.2Å; I433-G436 VanDerWaalsContact O-N 3.14Å; I434-G436 PolarHBondContact O-N 3.23Å; G436-G439 PolarHBondContact O-N 3.44Å; G436-S440 PolarHBondContact O-N 3.33Å; G436-G491 VanDerWaalsContact CA-O 3.25Å; G436-G491 WeakPolarHBondContact CA-O 3.35Å; G436-T495 WeakPolarHBondContact CA-OG1 3.25Å; G436-T495 WeakPolarHBondContact O-CB 3.43Å; G436-T495 WeakPolarHBondContact O-CG2 3.4Å
437I93.8Very high93.4Very high23 Ų2332.9 Ų32.912%0.11817%0.169CC..Hα-helixtrans-60.5-49.6174.1-65169.9000109.9F180 Q183 L184 I433 I434 G439 S440 V441F180-I437 HydrophobicContact CD1-CG2 3.99Å; F180-I437 HydrophobicContact CE1-CG2 4.1Å; F180-I437 HydrophobicContact CG-CG2 4.36Å; Q183-I437 HydrophobicContact CB-CD1 3.78Å; Q183-I437 HydrophobicContact CB-CG1 3.7Å; Q183-I437 HydrophobicContact CG-CG1 4.29Å; L184-I437 HydrophobicContact CD2-CD1 3.98Å; L184-I437 HydrophobicContact CG-CD1 4.24Å; I433-I437 PolarHBondContact O-N 3.04Å; I434-I437 HydrophobicContact CD1-CD1 4.26Å; I434-I437 PolarHBondContact O-N 3.27Å; I437-G439 VanDerWaalsContact C-N 3.34Å; I437-G439 PolarHBondContact O-N 3.41Å; I437-S440 PolarHBondContact O-N 3.49Å; I437-S440 PolarHBondContact O-OG 2.95Å; I437-V441 PolarHBondContact O-N 3.43Å
438F93.4Very high92.8Very high119 Ų11932.8 Ų32.852%0.52218%0.176SC..Hα-helixtrans-62.6-40.3176.1-70-70.3000112.7I434 A435 S440 V441 I442 F492I434-F438 HydrophobicContact CG2-CD2 4.22Å; I434-F438 HydrophobicContact CG2-CE2 3.86Å; I434-F438 VanDerWaalsContact O-CD2 3.27Å; I434-F438 WeakPolarHBondContact O-CD2 3.42Å; I434-F438 PolarHBondContact O-N 3.11Å; A435-F438 PolarHBondContact O-N 2.89Å; F438-S440 PolarHBondContact O-N 3.16Å; F438-V441 PolarHBondContact O-N 3.39Å; F438-I442 HydrophobicContact CB-CD1 4.49Å; F438-I442 WeakPolarHBondContact O-CB 3.33Å; F438-I442 WeakPolarHBondContact O-CG1 3.07Å; F438-I442 PolarHBondContact O-N 2.86Å; F438-F492 HydrophobicContact CB-CE2 4.48Å
439G93.2Very high92.4Very high0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-56.7-47.6175.300000112.5A435 G436 I437 V441 T443 F492A435-G439 PolarHBondContact O-N 3.48Å; G436-G439 PolarHBondContact O-N 3.44Å; I437-G439 VanDerWaalsContact C-N 3.34Å; I437-G439 PolarHBondContact O-N 3.41Å; G439-V441 PolarHBondContact O-N 3.23Å; G439-T443 WeakPolarHBondContact O-CB 3.39Å; G439-T443 PolarHBondContact O-N 3.13Å; G439-T443 PolarHBondContact O-OG1 2.88Å; G439-F492 VanDerWaalsContact CA-CD2 3.5Å
440S91.2Very high92.1Very high10 Ų1044.1 Ų44.17%0.0723%0.23CC..Hα-helixtrans-59.9-44.9177.670.10000113G436 I437 F438 G444 S499G436-S440 PolarHBondContact O-N 3.33Å; I437-S440 PolarHBondContact O-N 3.49Å; I437-S440 PolarHBondContact O-OG 2.95Å; F438-S440 PolarHBondContact O-N 3.16Å; S440-G444 PolarHBondContact O-N 3.46Å; S440-S499 WeakPolarHBondContact CB-OG 3.26Å
441V90.3Very high91.4Very high68 Ų6846 Ų4641%0.41224%0.238SC..Hα-helixtrans-65.9-51.7178.8175.10000111.5F180 I437 F438 G439 T443 G444 V445F180-V441 HydrophobicContact CE1-CG2 4.36Å; F180-V441 HydrophobicContact CE2-CG2 4.05Å; F180-V441 HydrophobicContact CZ-CG2 3.48Å; F180-V441 VanDerWaalsContact CZ-CG2 3.48Å; I437-V441 PolarHBondContact O-N 3.43Å; F438-V441 PolarHBondContact O-N 3.39Å; G439-V441 PolarHBondContact O-N 3.23Å; V441-T443 VanDerWaalsContact C-N 3.33Å; V441-T443 PolarHBondContact O-N 3.24Å; V441-G444 PolarHBondContact O-N 3.25Å; V441-V445 WeakPolarHBondContact O-CG2 3.27Å; V441-V445 PolarHBondContact O-N 3.48Å
442I91.8Very high91Very high77 Ų7750.3 Ų50.340%0.39525%0.254SS..Hα-helixtrans-65.2-41.7-176.1-69.5165.9000110.2F438 V445 I446 F492F438-I442 HydrophobicContact CB-CD1 4.49Å; F438-I442 WeakPolarHBondContact O-CB 3.33Å; F438-I442 WeakPolarHBondContact O-CG1 3.07Å; F438-I442 PolarHBondContact O-N 2.86Å; I442-V445 PolarHBondContact O-N 3.39Å; I442-I446 HydrophobicContact CG2-CD1 3.75Å; I442-I446 VanDerWaalsContact O-CG1 3.26Å; I442-I446 WeakPolarHBondContact O-CG1 3.36Å; I442-I446 PolarHBondContact O-N 3.42Å; I442-F492 HydrophobicContact CB-CZ 4.18Å; I442-F492 HydrophobicContact CD1-CE2 3.93Å; I442-F492 HydrophobicContact CD1-CZ 4.06Å; I442-F492 HydrophobicContact CG2-CZ 4.17Å
443T90.1Very high90.5Very high4 Ų450.3 Ų50.33%0.02525%0.254CS..Hα-helixtrans-61.5-47.6176.1-62.70000111.9G439 V441 V445 I446 L447 I456 I460 I500G439-T443 WeakPolarHBondContact O-CB 3.39Å; G439-T443 PolarHBondContact O-N 3.13Å; G439-T443 PolarHBondContact O-OG1 2.88Å; V441-T443 VanDerWaalsContact C-N 3.33Å; V441-T443 PolarHBondContact O-N 3.24Å; T443-V445 PolarHBondContact O-N 2.98Å; T443-I446 PolarHBondContact O-N 2.75Å; T443-L447 WeakPolarHBondContact O-CB 3.32Å; T443-L447 PolarHBondContact O-N 3.09Å; T443-I456 HydrophobicContact CG2-CG2 4.44Å; T443-I460 HydrophobicContact CG2-CD1 3.35Å; T443-I460 WeakPolarHBondContact OG1-CD1 3.13Å; T443-I500 HydrophobicContact CG2-CD1 3.29Å; T443-I500 HydrophobicContact CG2-CG1 3.45Å; T443-I500 VanDerWaalsContact CG2-CG1 3.45Å
444G85.7Confident90.1Very high14 Ų1453 Ų5314%0.14427%0.266CS..Hα-helixtrans-56.6-47.4175.300000111.9S440 V441 I446 L447 D448S440-G444 PolarHBondContact O-N 3.46Å; V441-G444 PolarHBondContact O-N 3.25Å; G444-I446 VanDerWaalsContact C-N 3.34Å; G444-I446 PolarHBondContact O-N 2.67Å; G444-L447 PolarHBondContact O-N 3.02Å; G444-D448 WeakPolarHBondContact O-CB 3.34Å; G444-D448 PolarHBondContact O-N 3.36Å
445V87.2Confident89.9Confident69 Ų6955.2 Ų55.242%0.41828%0.277SS..Hα-helixtrans-64.1-35178.5172.90000113.1V441 I442 T443 K449V441-V445 WeakPolarHBondContact O-CG2 3.27Å; V441-V445 PolarHBondContact O-N 3.48Å; I442-V445 PolarHBondContact O-N 3.39Å; T443-V445 PolarHBondContact O-N 2.98Å; V445-K449 HydrophobicContact CG1-CD 4.21Å; V445-K449 WeakPolarHBondContact O-CB 3.31Å; V445-K449 WeakPolarHBondContact O-CG 3.47Å; V445-K449 PolarHBondContact O-N 3.46Å
446I90.2Very high89.7Confident83 Ų8356 Ų5643%0.42628%0.282SS..Hα-helixtrans-70.5-41175.1-66.6165.4000110.5I442 T443 G444 K449 T450 I456I442-I446 HydrophobicContact CG2-CD1 3.75Å; I442-I446 VanDerWaalsContact O-CG1 3.26Å; I442-I446 WeakPolarHBondContact O-CG1 3.36Å; I442-I446 PolarHBondContact O-N 3.42Å; T443-I446 PolarHBondContact O-N 2.75Å; G444-I446 VanDerWaalsContact C-N 3.34Å; G444-I446 PolarHBondContact O-N 2.67Å; I446-K449 PolarHBondContact O-N 3.36Å; I446-T450 HydrophobicContact CG2-CG2 4.43Å; I446-T450 WeakPolarHBondContact O-CB 3.42Å; I446-T450 VanDerWaalsContact O-CG2 3.3Å; I446-T450 WeakPolarHBondContact O-CG2 3.28Å; I446-T450 PolarHBondContact O-N 3.01Å; I446-T450 VanDerWaalsContact O-N 3.09Å; I446-T450 PolarHBondContact O-OG1 2.85Å; I446-I456 HydrophobicContact CG2-CD1 3.87Å
447L86.7Confident89.5Confident0 Ų056.1 Ų56.10%028%0.282CS..Hα-helixtrans-64.3-44.7175.7-18058.6000111.6T443 G444 K449 T450 K451 F453 I456 I500 E503T443-L447 WeakPolarHBondContact O-CB 3.32Å; T443-L447 PolarHBondContact O-N 3.09Å; G444-L447 PolarHBondContact O-N 3.02Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.14Å; L447-T450 PolarHBondContact O-N 3.32Å; L447-K451 VanDerWaalsContact O-CA 3.32Å; L447-K451 WeakPolarHBondContact O-CA 3.43Å; L447-K451 PolarHBondContact O-N 2.85Å; L447-F453 HydrophobicContact CD1-CB 4.32Å; L447-F453 HydrophobicContact CD1-CD1 3.8Å; L447-F453 HydrophobicContact CD1-CD2 3.95Å; L447-F453 HydrophobicContact CD1-CE1 3.94Å; L447-F453 HydrophobicContact CD1-CE2 4.04Å; L447-F453 HydrophobicContact CD1-CG 3.79Å; L447-F453 HydrophobicContact CD1-CZ 4.04Å; L447-F453 HydrophobicContact CD2-CD1 3.99Å; L447-F453 HydrophobicContact CD2-CE1 3.7Å; L447-F453 HydrophobicContact CD2-CZ 4.25Å; L447-F453 HydrophobicContact CG-CD1 4.34Å; L447-F453 HydrophobicContact CG-CE1 4.05Å; L447-F453 HydrophobicContact CG-CZ 4.14Å; L447-I456 HydrophobicContact CB-CD1 4.34Å; L447-I456 HydrophobicContact CD1-CD1 4.14Å; L447-I500 HydrophobicContact CD2-CB 4.32Å; L447-I500 HydrophobicContact CD2-CG1 4.1Å; L447-I500 HydrophobicContact CD2-CG2 3.83Å; L447-E503 HydrophobicContact CD2-CB 4.46Å; L447-E503 WeakPolarHBondContact CD2-OE2 3.05Å
448D83.4Confident89.6Confident97 Ų9755.8 Ų55.852%0.51928%0.282SS..Hα-helixtrans-60.3-42.2177.8-114.4-24.5000112.3G444 K451G444-D448 WeakPolarHBondContact O-CB 3.34Å; G444-D448 PolarHBondContact O-N 3.36Å; D448-K451 WeakPolarHBondContact O-CE 3.46Å; D448-K451 IonicContact OD1-NZ 3.2Å; D448-K451 PolarHBondContact OD1-NZ 3.26Å
449K87.9Confident89.7Confident174 Ų17454.2 Ų54.276%0.75728%0.278SS*.Hα-helixtrans-74.9-31-179.2-74.9178177-178.10114.2V445 I446 L447V445-K449 HydrophobicContact CG1-CD 4.21Å; V445-K449 WeakPolarHBondContact O-CB 3.31Å; V445-K449 WeakPolarHBondContact O-CG 3.47Å; V445-K449 PolarHBondContact O-N 3.46Å; I446-K449 PolarHBondContact O-N 3.36Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.14Å
450T90Very high89.8Confident64 Ų6454.8 Ų54.839%0.39328%0.281SS..Hα-helixtrans-100.3-28.8-174.559.70000113.6I446 L447 K452 I456I446-T450 HydrophobicContact CG2-CG2 4.43Å; I446-T450 WeakPolarHBondContact O-CB 3.42Å; I446-T450 VanDerWaalsContact O-CG2 3.3Å; I446-T450 WeakPolarHBondContact O-CG2 3.28Å; I446-T450 PolarHBondContact O-N 3.01Å; I446-T450 VanDerWaalsContact O-N 3.09Å; I446-T450 PolarHBondContact O-OG1 2.85Å; L447-T450 PolarHBondContact O-N 3.32Å; T450-K452 PolarHBondContact O-N 3.28Å; T450-K452 VanDerWaalsContact O-N 3.09Å; T450-K452 PolarHBondContact OG1-N 2.99Å; T450-I456 WeakPolarHBondContact OG1-CD1 3.41Å
451K83.9Confident90Very high84 Ų8454.3 Ų54.337%0.36528%0.277SS..  trans50.721.9-169-58.4-61.1-177.5-1740114.7L447 D448 F453L447-K451 VanDerWaalsContact O-CA 3.32Å; L447-K451 WeakPolarHBondContact O-CA 3.43Å; L447-K451 PolarHBondContact O-N 2.85Å; D448-K451 WeakPolarHBondContact O-CE 3.46Å; D448-K451 IonicContact OD1-NZ 3.2Å; D448-K451 PolarHBondContact OD1-NZ 3.26Å; K451-F453 HydrophobicContact CB-CE2 4.43Å; K451-F453 HydrophobicContact CD-CE2 4.14Å; K451-F453 VanDerWaalsContact O-CD2 3.32Å; K451-F453 WeakPolarHBondContact O-CD2 3.15Å; K451-F453 PolarHBondContact O-N 3.44Å
452K88.5Confident90.3Very high123 Ų12354.5 Ų54.554%0.53528%0.275SS..  trans-93.269.5178.9-68.6-175.8-178.7-175.50111.5T450 K454 I455 I456T450-K452 PolarHBondContact O-N 3.28Å; T450-K452 VanDerWaalsContact O-N 3.09Å; T450-K452 PolarHBondContact OG1-N 2.99Å; K452-K454 PolarHBondContact O-N 2.97Å; K452-I455 HydrophobicContact CB-CB 4.44Å; K452-I455 HydrophobicContact CD-CD1 4.29Å; K452-I455 PolarHBondContact O-N 3.37Å; K452-I456 WeakPolarHBondContact O-CG1 3.36Å; K452-I456 PolarHBondContact O-N 2.99Å
453F88.1Confident90.6Very high1 Ų153.2 Ų53.20%0.00427%0.269CS..Hα-helixtrans-52.7-57.4-171.9-76.9-99.4000112.8L447 K451 I455 I456 T457 E503 L504 E568 L570L447-F453 HydrophobicContact CD1-CB 4.32Å; L447-F453 HydrophobicContact CD1-CD1 3.8Å; L447-F453 HydrophobicContact CD1-CD2 3.95Å; L447-F453 HydrophobicContact CD1-CE1 3.94Å; L447-F453 HydrophobicContact CD1-CE2 4.04Å; L447-F453 HydrophobicContact CD1-CG 3.79Å; L447-F453 HydrophobicContact CD1-CZ 4.04Å; L447-F453 HydrophobicContact CD2-CD1 3.99Å; L447-F453 HydrophobicContact CD2-CE1 3.7Å; L447-F453 HydrophobicContact CD2-CZ 4.25Å; L447-F453 HydrophobicContact CG-CD1 4.34Å; L447-F453 HydrophobicContact CG-CE1 4.05Å; L447-F453 HydrophobicContact CG-CZ 4.14Å; K451-F453 HydrophobicContact CB-CE2 4.43Å; K451-F453 HydrophobicContact CD-CE2 4.14Å; K451-F453 VanDerWaalsContact O-CD2 3.32Å; K451-F453 WeakPolarHBondContact O-CD2 3.15Å; K451-F453 PolarHBondContact O-N 3.44Å; F453-I455 PolarHBondContact O-N 3.33Å; F453-I456 PolarHBondContact O-N 3.11Å; F453-T457 VanDerWaalsContact O-CB 3.28Å; F453-T457 WeakPolarHBondContact O-CB 3.48Å; F453-T457 PolarHBondContact O-N 2.93Å; F453-T457 PolarHBondContact O-OG1 3.07Å; F453-E503 HydrophobicContact CE1-CB 3.84Å; F453-L504 HydrophobicContact CB-CD1 4.04Å; F453-L504 HydrophobicContact CD1-CB 4.13Å; F453-L504 HydrophobicContact CD1-CD1 4.36Å; F453-E568 PolarHBondContact N-OE1 3.42Å; F453-L570 HydrophobicContact CB-CD2 4.09Å; F453-L570 HydrophobicContact CD2-CD1 4.09Å; F453-L570 HydrophobicContact CD2-CD2 4.22Å; F453-L570 HydrophobicContact CG-CD2 4.2Å
454K88.6Confident91Very high59 Ų5953 Ų5326%0.25727%0.268SS..Hα-helixtrans-61-48.2-175.2180172.4178.1161.90112.2K452 I456 T457 C458 V564 I566 E568K452-K454 PolarHBondContact O-N 2.97Å; K454-I456 PolarHBondContact O-N 2.77Å; K454-T457 PolarHBondContact O-N 3.04Å; K454-C458 WeakPolarHBondContact O-CB 3.43Å; K454-C458 PolarHBondContact O-N 3.47Å; K454-C458 PolarHBondContact O-SG 3.33Å; K454-V564 WeakPolarHBondContact CE-O 3.42Å; K454-V564 PolarHBondContact NZ-O 3.27Å; K454-I566 WeakPolarHBondContact CD-O 3.07Å; K454-I566 WeakPolarHBondContact CE-O 3.39Å; K454-I566 PolarHBondContact NZ-O 3.46Å; K454-E568 HydrophobicContact CB-CB 4.06Å; K454-E568 HydrophobicContact CB-CG 3.97Å; K454-E568 WeakPolarHBondContact CB-OE1 3.38Å; K454-E568 VanDerWaalsContact CB-OE2 3.31Å; K454-E568 WeakPolarHBondContact CB-OE2 3.49Å; K454-E568 HydrophobicContact CD-CB 4.19Å; K454-E568 PolarHBondContact N-OE1 3.36Å
455I91.6Very high91.6Very high91 Ų9153.8 Ų53.847%0.46727%0.268SS..Hα-helixtrans-60.9-46-175.3-69.2167.8000110.7K452 F453 C458 I459K452-I455 HydrophobicContact CB-CB 4.44Å; K452-I455 HydrophobicContact CD-CD1 4.29Å; K452-I455 PolarHBondContact O-N 3.37Å; F453-I455 PolarHBondContact O-N 3.33Å; I455-C458 PolarHBondContact O-N 3.22Å; I455-I459 HydrophobicContact CG2-CD1 3.76Å; I455-I459 VanDerWaalsContact O-CG1 3.27Å; I455-I459 WeakPolarHBondContact O-CG1 3.43Å; I455-I459 PolarHBondContact O-N 3.47Å
456I92.5Very high92.1Very high17 Ų1754.3 Ų54.39%0.08727%0.268CS..Hα-helixtrans-67.1-44.1178.6-65.3170.6000110.8T443 I446 L447 T450 K452 F453 K454 C458 I459 I460 I500T443-I456 HydrophobicContact CG2-CG2 4.44Å; I446-I456 HydrophobicContact CG2-CD1 3.87Å; L447-I456 HydrophobicContact CB-CD1 4.34Å; L447-I456 HydrophobicContact CD1-CD1 4.14Å; T450-I456 WeakPolarHBondContact OG1-CD1 3.41Å; K452-I456 WeakPolarHBondContact O-CG1 3.36Å; K452-I456 PolarHBondContact O-N 2.99Å; F453-I456 PolarHBondContact O-N 3.11Å; K454-I456 PolarHBondContact O-N 2.77Å; I456-C458 VanDerWaalsContact C-N 3.31Å; I456-C458 PolarHBondContact O-N 3.22Å; I456-I459 PolarHBondContact O-N 2.87Å; I456-I460 HydrophobicContact CG2-CD1 3.85Å; I456-I460 PolarHBondContact O-N 3.13Å; I456-I500 HydrophobicContact CG2-CD1 3.84Å
457T92.1Very high92.5Very high2 Ų252 Ų521%0.01226%0.255CS..Hα-helixtrans-57-43.6177.1-53.50000111.4F453 K454 Y461 Y497 I500 L504 T563F453-T457 VanDerWaalsContact O-CB 3.28Å; F453-T457 WeakPolarHBondContact O-CB 3.48Å; F453-T457 PolarHBondContact O-N 2.93Å; F453-T457 PolarHBondContact O-OG1 3.07Å; K454-T457 PolarHBondContact O-N 3.04Å; T457-Y461 PolarHBondContact O-N 3.13Å; T457-Y461 VanDerWaalsContact O-N 3.14Å; T457-Y497 HydrophobicContact CG2-CD2 4.1Å; T457-Y497 HydrophobicContact CG2-CE2 3.35Å; T457-I500 WeakPolarHBondContact OG1-CG2 3.36Å; T457-L504 HydrophobicContact CG2-CD2 3.99Å; T457-T563 HydrophobicContact CG2-CG2 3.67Å
458C94.6Very high93Very high16 Ų1652 Ų5211%0.10826%0.255CS..Hα-helixtrans-66.2-48.3175.7-68.80000112.5K454 I455 I456 I460 Y461 I462 V564K454-C458 WeakPolarHBondContact O-CB 3.43Å; K454-C458 PolarHBondContact O-N 3.47Å; K454-C458 PolarHBondContact O-SG 3.33Å; I455-C458 PolarHBondContact O-N 3.22Å; I456-C458 VanDerWaalsContact C-N 3.31Å; I456-C458 PolarHBondContact O-N 3.22Å; C458-I460 VanDerWaalsContact C-N 3.3Å; C458-I460 PolarHBondContact O-N 3.41Å; C458-Y461 PolarHBondContact O-N 2.7Å; C458-I462 WeakPolarHBondContact O-CB 3.39Å; C458-I462 WeakPolarHBondContact O-CD1 3.38Å; C458-I462 VanDerWaalsContact O-CG1 3.24Å; C458-I462 WeakPolarHBondContact O-CG1 3.22Å; C458-I462 PolarHBondContact O-N 3.36Å; C458-V564 HydrophobicContact CB-CG2 4.45Å
459I95.6Very high93.6Very high85 Ų8549 Ų4944%0.43625%0.246SC..Hα-helixtrans-57-45.3-180-73.1165.8000110.7I455 I456 I462 L463I455-I459 HydrophobicContact CG2-CD1 3.76Å; I455-I459 VanDerWaalsContact O-CG1 3.27Å; I455-I459 WeakPolarHBondContact O-CG1 3.43Å; I455-I459 PolarHBondContact O-N 3.47Å; I456-I459 PolarHBondContact O-N 2.87Å; I459-I462 PolarHBondContact O-N 3.47Å; I459-L463 HydrophobicContact CG2-CD1 3.74Å; I459-L463 HydrophobicContact CG2-CG 4.46Å; I459-L463 WeakPolarHBondContact O-CB 3.06Å; I459-L463 VanDerWaalsContact O-CG 3.31Å; I459-L463 WeakPolarHBondContact O-CG 3.42Å; I459-L463 PolarHBondContact O-N 2.93Å
460I95Very high94.1Very high13 Ų1344 Ų447%0.06723%0.227CC..Hα-helixtrans-74-32.8-176.1-70.6179.4000112.1T443 I456 C458 S464 F493 I500T443-I460 HydrophobicContact CG2-CD1 3.35Å; T443-I460 WeakPolarHBondContact OG1-CD1 3.13Å; I456-I460 HydrophobicContact CG2-CD1 3.85Å; I456-I460 PolarHBondContact O-N 3.13Å; C458-I460 VanDerWaalsContact C-N 3.3Å; C458-I460 PolarHBondContact O-N 3.41Å; I460-S464 WeakPolarHBondContact O-CB 3.41Å; I460-S464 PolarHBondContact O-N 2.93Å; I460-S464 PolarHBondContact O-OG 3.49Å; I460-F493 HydrophobicContact CG1-CD1 4.36Å; I460-F493 HydrophobicContact CG2-CB 4.23Å; I460-F493 HydrophobicContact CG2-CD1 4.49Å; I460-F493 WeakPolarHBondContact CG2-O 3.2Å; I460-I500 HydrophobicContact CD1-CD1 3.85Å
461Y96.2Very high94.4Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-65.3-46.9169.8-145.5-50.4000111S396 I399 L400 T457 C458 L463 S464 L465 Y497 T556 G559 T560 T563S396-Y461 PolarHBondContact O-OH 3.39Å; S396-Y461 VanDerWaalsContact O-OH 3.11Å; I399-Y461 WeakPolarHBondContact CG2-OH 3.49Å; L400-Y461 HydrophobicContact CB-CE1 4.36Å; L400-Y461 HydrophobicContact CB-CE2 3.92Å; L400-Y461 WeakPolarHBondContact CB-OH 3.45Å; L400-Y461 HydrophobicContact CD1-CD1 4.28Å; L400-Y461 HydrophobicContact CD1-CE1 3.77Å; L400-Y461 HydrophobicContact CD2-CD1 4.48Å; L400-Y461 HydrophobicContact CD2-CD2 4.2Å; L400-Y461 HydrophobicContact CD2-CE1 4.43Å; L400-Y461 HydrophobicContact CD2-CE2 4.13Å; L400-Y461 HydrophobicContact CD2-CG 4.36Å; L400-Y461 HydrophobicContact CG-CE1 4.42Å; L400-Y461 HydrophobicContact CG-CE2 4.47Å; L400-Y461 PolarHBondContact N-OH 2.84Å; T457-Y461 PolarHBondContact O-N 3.13Å; T457-Y461 VanDerWaalsContact O-N 3.14Å; C458-Y461 PolarHBondContact O-N 2.7Å; Y461-L463 VanDerWaalsContact C-N 3.33Å; Y461-L463 PolarHBondContact O-N 2.86Å; Y461-S464 WeakPolarHBondContact O-CB 3.42Å; Y461-S464 PolarHBondContact O-N 3.37Å; Y461-S464 VanDerWaalsContact O-N 3.12Å; Y461-L465 PolarHBondContact O-N 3.43Å; Y461-Y497 HydrophobicContact CD2-CD2 4.01Å; Y461-Y497 HydrophobicContact CD2-CE1 4.46Å; Y461-Y497 AromaticContact CD2-CE2 3.34Å; Y461-Y497 HydrophobicContact CD2-CE2 3.34Å; Y461-Y497 AromaticContact CD2-CZ 3.59Å; Y461-Y497 HydrophobicContact CE2-CE1 4.42Å; Y461-Y497 HydrophobicContact CE2-CE2 4.07Å; Y461-Y497 AromaticContact CE2-CZ 3.86Å; Y461-Y497 HydrophobicContact CG-CE2 4.18Å; Y461-T556 HydrophobicContact CD1-CG2 4.3Å; Y461-T556 HydrophobicContact CE1-CG2 3.73Å; Y461-T556 WeakPolarHBondContact CE1-O 3.31Å; Y461-G559 WeakPolarHBondContact CE2-O 3.37Å; Y461-G559 WeakPolarHBondContact OH-CA 3.34Å; Y461-T560 WeakPolarHBondContact CD1-OG1 3.35Å; Y461-T563 HydrophobicContact CD2-CG2 4.21Å; Y461-T563 WeakPolarHBondContact CD2-OG1 3.42Å; Y461-T563 WeakPolarHBondContact CE2-OG1 3.36Å
462I97.7Very high95Very high71 Ų7137.2 Ų37.236%0.36419%0.193SC..Hα-helixtrans-59.5-43178.4-69.5164.8000111.1C458 I459 L465 I466 T560C458-I462 WeakPolarHBondContact O-CB 3.39Å; C458-I462 WeakPolarHBondContact O-CD1 3.38Å; C458-I462 VanDerWaalsContact O-CG1 3.24Å; C458-I462 WeakPolarHBondContact O-CG1 3.22Å; C458-I462 PolarHBondContact O-N 3.36Å; I459-I462 PolarHBondContact O-N 3.47Å; I462-L465 WeakPolarHBondContact O-CB 3.23Å; I462-L465 PolarHBondContact O-N 3.04Å; I462-I466 HydrophobicContact CG2-CD1 3.83Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.36Å; I462-I466 PolarHBondContact O-N 3.31Å; I462-T560 HydrophobicContact CG1-CG2 3.62Å
463L97.8Very high95.3Very high50 Ų5033.3 Ų33.326%0.26219%0.188SC..Hα-helixtrans-66.9-38.2175.7-70.2169000112I459 Y461 L465 I466 F467 F493I459-L463 HydrophobicContact CG2-CD1 3.74Å; I459-L463 HydrophobicContact CG2-CG 4.46Å; I459-L463 WeakPolarHBondContact O-CB 3.06Å; I459-L463 VanDerWaalsContact O-CG 3.31Å; I459-L463 WeakPolarHBondContact O-CG 3.42Å; I459-L463 PolarHBondContact O-N 2.93Å; Y461-L463 VanDerWaalsContact C-N 3.33Å; Y461-L463 PolarHBondContact O-N 2.86Å; L463-L465 VanDerWaalsContact C-N 3.34Å; L463-L465 PolarHBondContact O-N 2.91Å; L463-I466 PolarHBondContact O-N 3.27Å; L463-F467 WeakPolarHBondContact O-CD2 3.36Å; L463-F467 PolarHBondContact O-N 2.95Å; L463-F493 HydrophobicContact CB-CB 4.37Å; L463-F493 HydrophobicContact CB-CD1 3.97Å; L463-F493 HydrophobicContact CB-CD2 3.81Å; L463-F493 HydrophobicContact CB-CE1 4.24Å; L463-F493 HydrophobicContact CB-CE2 4.09Å; L463-F493 HydrophobicContact CB-CG 3.77Å; L463-F493 HydrophobicContact CB-CZ 4.31Å; L463-F493 HydrophobicContact CD1-CD1 3.99Å; L463-F493 HydrophobicContact CD1-CE1 3.56Å; L463-F493 HydrophobicContact CD1-CE2 4.38Å; L463-F493 HydrophobicContact CD1-CZ 3.79Å; L463-F493 HydrophobicContact CG-CE1 4.5Å
464S97.5Very high95.6Very high0 Ų034.6 Ų34.60%019%0.194CC..Hα-helixtrans-61.6-41173.2-56.60000112.2I460 Y461 M468 F493 M494I460-S464 WeakPolarHBondContact O-CB 3.41Å; I460-S464 PolarHBondContact O-N 2.93Å; I460-S464 PolarHBondContact O-OG 3.49Å; Y461-S464 WeakPolarHBondContact O-CB 3.42Å; Y461-S464 PolarHBondContact O-N 3.37Å; Y461-S464 VanDerWaalsContact O-N 3.12Å; S464-M468 VanDerWaalsContact O-CB 3.32Å; S464-M468 WeakPolarHBondContact O-CB 3.31Å; S464-M468 PolarHBondContact O-N 2.74Å; S464-F493 VanDerWaalsContact OG-C 3.3Å; S464-F493 WeakPolarHBondContact OG-CB 3.21Å; S464-M494 PolarHBondContact OG-N 2.68Å
465L97.9Very high95.9Very high31 Ų3131.8 Ų31.816%0.16218%0.182CC..Hα-helixtrans-62-47.5173.4174.662.2000111.8Y461 I462 L463 M468 G469 T553 T556 L557Y461-L465 PolarHBondContact O-N 3.43Å; I462-L465 WeakPolarHBondContact O-CB 3.23Å; I462-L465 PolarHBondContact O-N 3.04Å; L463-L465 VanDerWaalsContact C-N 3.34Å; L463-L465 PolarHBondContact O-N 2.91Å; L465-M468 PolarHBondContact O-N 3.41Å; L465-G469 PolarHBondContact O-N 3.16Å; L465-T553 HydrophobicContact CD1-CG2 3.97Å; L465-T553 WeakPolarHBondContact CD1-O 3.28Å; L465-T556 HydrophobicContact CB-CG2 3.91Å; L465-T556 HydrophobicContact CD1-CG2 3.97Å; L465-L557 HydrophobicContact CD1-CB 4.08Å; L465-L557 HydrophobicContact CD2-CB 4.17Å; L465-L557 HydrophobicContact CD2-CD1 3.84Å
466I98.1Very high96Very high80 Ų8033.5 Ų33.541%0.4118%0.184SC..Hα-helixtrans-59.8-48.6178.9-72.5164.8000110.4I462 L463 M468 G469 I470I462-I466 HydrophobicContact CG2-CD1 3.83Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.36Å; I462-I466 PolarHBondContact O-N 3.31Å; L463-I466 PolarHBondContact O-N 3.27Å; I466-M468 VanDerWaalsContact C-N 3.35Å; I466-M468 PolarHBondContact O-N 2.95Å; I466-G469 PolarHBondContact O-N 3Å; I466-I470 HydrophobicContact CG2-CD1 3.68Å; I466-I470 HydrophobicContact CG2-CG1 4.46Å; I466-I470 VanDerWaalsContact O-CG1 3.29Å; I466-I470 WeakPolarHBondContact O-CG1 3.17Å; I466-I470 PolarHBondContact O-N 3.21Å
467F98.1Very high96Very high35 Ų3538.1 Ų38.115%0.15421%0.208CC..Hα-helixtrans-70.1-27.6179.2-81.4-76.6000113.5L463 I470 F471 V486 F489 L490 F493L463-F467 WeakPolarHBondContact O-CD2 3.36Å; L463-F467 PolarHBondContact O-N 2.95Å; F467-I470 HydrophobicContact CD1-CD1 4.29Å; F467-I470 HydrophobicContact CE1-CD1 4.34Å; F467-F471 VanDerWaalsContact O-CB 3.28Å; F467-F471 WeakPolarHBondContact O-CB 3.27Å; F467-F471 PolarHBondContact O-N 3.44Å; F467-V486 HydrophobicContact CD1-CG1 4.37Å; F467-F489 HydrophobicContact CD1-CB 3.56Å; F467-F489 HydrophobicContact CD1-CG 4.45Å; F467-F489 HydrophobicContact CD2-CB 3.88Å; F467-F489 HydrophobicContact CE1-CB 3.42Å; F467-F489 VanDerWaalsContact CE1-CB 3.42Å; F467-F489 AromaticContact CE1-CD2 3.77Å; F467-F489 HydrophobicContact CE1-CD2 3.77Å; F467-F489 AromaticContact CE1-CG 3.82Å; F467-F489 HydrophobicContact CE1-CG 3.82Å; F467-F489 HydrophobicContact CE2-CB 3.75Å; F467-F489 HydrophobicContact CE2-CG 4.17Å; F467-F489 HydrophobicContact CG-CB 3.8Å; F467-F489 HydrophobicContact CZ-CB 3.52Å; F467-F489 HydrophobicContact CZ-CD1 4.36Å; F467-F489 AromaticContact CZ-CD2 3.85Å; F467-F489 HydrophobicContact CZ-CD2 3.85Å; F467-F489 AromaticContact CZ-CG 3.66Å; F467-F489 HydrophobicContact CZ-CG 3.66Å; F467-L490 HydrophobicContact CB-CB 4.22Å; F467-L490 HydrophobicContact CB-CD1 4.08Å; F467-F493 AromaticContact CD2-CD2 3.78Å; F467-F493 HydrophobicContact CD2-CD2 3.78Å; F467-F493 AromaticContact CD2-CE2 3.82Å; F467-F493 HydrophobicContact CD2-CE2 3.82Å; F467-F493 HydrophobicContact CE2-CD2 4.11Å; F467-F493 AromaticContact CE2-CE2 3.64Å; F467-F493 HydrophobicContact CE2-CE2 3.64Å
468M97.4Very high96Very high0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-69.5-40171.3-172.864.7-155.300111.9V403 V407 S464 L465 I466 F471 T472 L490 M494 N549 L552 T553V403-M468 HydrophobicContact CG1-SD 4.29Å; V407-M468 HydrophobicContact CG2-CE 3.92Å; V407-M468 HydrophobicContact CG2-SD 3.74Å; S464-M468 VanDerWaalsContact O-CB 3.32Å; S464-M468 WeakPolarHBondContact O-CB 3.31Å; S464-M468 PolarHBondContact O-N 2.74Å; L465-M468 PolarHBondContact O-N 3.41Å; I466-M468 VanDerWaalsContact C-N 3.35Å; I466-M468 PolarHBondContact O-N 2.95Å; M468-F471 HydrophobicContact CE-CD1 4.21Å; M468-F471 PolarHBondContact O-N 3.18Å; M468-F471 HydrophobicContact SD-CD1 4.34Å; M468-T472 PolarHBondContact O-N 2.82Å; M468-T472 PolarHBondContact O-OG1 3.02Å; M468-L490 HydrophobicContact CB-CD1 4.05Å; M468-L490 HydrophobicContact SD-CD1 4.45Å; M468-L490 HydrophobicContact SD-CD2 4.4Å; M468-M494 HydrophobicContact CB-CE 4.38Å; M468-M494 HydrophobicContact SD-CE 4.43Å; M468-N549 HydrophobicContact CE-CB 4.36Å; M468-L552 HydrophobicContact CE-CB 3.83Å; M468-L552 HydrophobicContact CE-CD1 4.2Å; M468-T553 WeakPolarHBondContact CG-OG1 3.49Å
469G97.3Very high95.9Very high32 Ų3247.3 Ų47.333%0.3325%0.246SC..Hα-helixtrans-64.2-44.417200000112.4L465 I466 T472 G473L465-G469 PolarHBondContact O-N 3.16Å; I466-G469 PolarHBondContact O-N 3Å; G469-T472 WeakPolarHBondContact O-CB 3.38Å; G469-T472 PolarHBondContact O-N 3.47Å; G469-G473 PolarHBondContact O-N 2.98Å
470I97.6Very high95.8Very high69 Ų6943.9 Ų43.935%0.35423%0.228SC..Hα-helixtrans-62.5-43.5174.6-67.2165.5000110.7I466 F467 T472 G473 I474 V486I466-I470 HydrophobicContact CG2-CD1 3.68Å; I466-I470 HydrophobicContact CG2-CG1 4.46Å; I466-I470 VanDerWaalsContact O-CG1 3.29Å; I466-I470 WeakPolarHBondContact O-CG1 3.17Å; I466-I470 PolarHBondContact O-N 3.21Å; F467-I470 HydrophobicContact CD1-CD1 4.29Å; F467-I470 HydrophobicContact CE1-CD1 4.34Å; I470-T472 VanDerWaalsContact C-N 3.3Å; I470-T472 PolarHBondContact O-N 3.44Å; I470-G473 PolarHBondContact O-N 3.19Å; I470-I474 VanDerWaalsContact O-CB 3.29Å; I470-I474 WeakPolarHBondContact O-CB 3.47Å; I470-I474 PolarHBondContact O-N 3.05Å; I470-V486 HydrophobicContact CG2-CG1 4.06Å; I470-V486 HydrophobicContact CG2-CG2 3.64Å
471F97.4Very high95.7Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-57.3-43.9174.8177.7-114.5000111.7V407 L411 I414 F467 M468 G473 L475 V483 V486 M487 L490V407-F471 HydrophobicContact CG1-CE1 4.48Å; L411-F471 HydrophobicContact CD1-CZ 4.22Å; I414-F471 HydrophobicContact CG2-CE1 4.12Å; I414-F471 HydrophobicContact CG2-CZ 3.83Å; F467-F471 VanDerWaalsContact O-CB 3.28Å; F467-F471 WeakPolarHBondContact O-CB 3.27Å; F467-F471 PolarHBondContact O-N 3.44Å; M468-F471 HydrophobicContact CE-CD1 4.21Å; M468-F471 PolarHBondContact O-N 3.18Å; M468-F471 HydrophobicContact SD-CD1 4.34Å; F471-G473 VanDerWaalsContact C-N 3.34Å; F471-G473 PolarHBondContact O-N 3.04Å; F471-L475 HydrophobicContact CE2-CD2 4.28Å; F471-L475 HydrophobicContact CZ-CD1 4.42Å; F471-L475 WeakPolarHBondContact O-CG 3.5Å; F471-V483 HydrophobicContact CE2-CG1 4.31Å; F471-V486 HydrophobicContact CB-CG1 3.76Å; F471-V486 HydrophobicContact CD2-CG1 4.37Å; F471-M487 HydrophobicContact CD2-CG 4.46Å; F471-M487 HydrophobicContact CD2-SD 3.84Å; F471-M487 HydrophobicContact CE2-CG 4.28Å; F471-M487 HydrophobicContact CE2-SD 3.55Å; F471-M487 VanDerWaalsContact CE2-SD 3.55Å; F471-M487 HydrophobicContact CZ-SD 4.09Å; F471-L490 HydrophobicContact CB-CD2 4.41Å; F471-L490 HydrophobicContact CG-CD2 4.4Å
472T95.7Very high95.7Very high6 Ų650.6 Ų50.64%0.03727%0.269CS..Hα-helixtrans-60.3-41.5176.6-550000112.4M468 G469 I470 L546 N549 L550 T553M468-T472 PolarHBondContact O-N 2.82Å; M468-T472 PolarHBondContact O-OG1 3.02Å; G469-T472 WeakPolarHBondContact O-CB 3.38Å; G469-T472 PolarHBondContact O-N 3.47Å; I470-T472 VanDerWaalsContact C-N 3.3Å; I470-T472 PolarHBondContact O-N 3.44Å; T472-L546 HydrophobicContact CG2-CD1 3.7Å; T472-N549 HydrophobicContact CG2-CB 3.75Å; T472-L550 HydrophobicContact CG2-CD2 4.19Å; T472-L550 HydrophobicContact CG2-CG 4.37Å; T472-T553 PolarHBondContact OG1-OG1 3.15Å
473G94.6Very high95.6Very high42 Ų4247.2 Ų47.243%0.43325%0.251SS..Hα-helixtrans-78.3-39.4179.300000114.8G469 I470 F471 L475 Y476G469-G473 PolarHBondContact O-N 2.98Å; I470-G473 PolarHBondContact O-N 3.19Å; F471-G473 VanDerWaalsContact C-N 3.34Å; F471-G473 PolarHBondContact O-N 3.04Å; G473-L475 VanDerWaalsContact C-N 3.28Å; G473-L475 PolarHBondContact O-N 3.27Å; G473-Y476 PolarHBondContact O-N 3.18Å
474I95Very high95.6Very high27 Ų2747.2 Ų47.214%0.13825%0.249CC..Hα-helixtrans-69.9-24.1-168-152.174.6000113.4I470 Y476 L477 I482 V483 V486I470-I474 VanDerWaalsContact O-CB 3.29Å; I470-I474 WeakPolarHBondContact O-CB 3.47Å; I470-I474 PolarHBondContact O-N 3.05Å; I474-Y476 PolarHBondContact O-N 3.02Å; I474-L477 HydrophobicContact CD1-CD1 3.6Å; I474-L477 HydrophobicContact CD1-CG 4.35Å; I474-L477 HydrophobicContact CG1-CD1 4.37Å; I474-L477 WeakPolarHBondContact O-CB 3.4Å; I474-L477 PolarHBondContact O-N 2.99Å; I474-I482 HydrophobicContact CD1-CG2 3.83Å; I474-I482 HydrophobicContact CG1-CB 4.16Å; I474-I482 HydrophobicContact CG1-CG2 3.71Å; I474-V483 HydrophobicContact CG2-CG2 4.18Å; I474-V486 HydrophobicContact CG2-CG2 4.27Å
475L94.6Very high95.6Very high0 Ų051.9 Ų51.90%027%0.273CS..G310 helixtrans-55.6-34.2175.8-67.5168.5000112I414 L415 Y418 F419 F471 G473 L477 R478 V483 V545I414-L475 HydrophobicContact CG2-CD1 3.96Å; L415-L475 HydrophobicContact CD2-CD2 3.62Å; Y418-L475 HydrophobicContact CD1-CB 3.87Å; Y418-L475 WeakPolarHBondContact CD1-O 3.25Å; Y418-L475 HydrophobicContact CD2-CB 3.85Å; Y418-L475 HydrophobicContact CD2-CD1 4.25Å; Y418-L475 HydrophobicContact CD2-CD2 4.33Å; Y418-L475 HydrophobicContact CD2-CG 4.36Å; Y418-L475 HydrophobicContact CE1-CB 3.76Å; Y418-L475 HydrophobicContact CE2-CB 3.76Å; Y418-L475 HydrophobicContact CE2-CD1 3.89Å; Y418-L475 HydrophobicContact CE2-CG 4.33Å; Y418-L475 HydrophobicContact CG-CB 3.91Å; F419-L475 HydrophobicContact CE2-CD2 4.13Å; F471-L475 HydrophobicContact CE2-CD2 4.28Å; F471-L475 HydrophobicContact CZ-CD1 4.42Å; F471-L475 WeakPolarHBondContact O-CG 3.5Å; G473-L475 VanDerWaalsContact C-N 3.28Å; G473-L475 PolarHBondContact O-N 3.27Å; L475-L477 PolarHBondContact O-N 3.04Å; L475-R478 PolarHBondContact O-N 3.37Å; L475-V483 HydrophobicContact CD2-CG2 4.28Å; L475-V545 HydrophobicContact CD1-CG1 4.27Å
476Y93.7Very high95.6Very high128 Ų12850.7 Ų50.750%0.50227%0.267SS..G310 helixtrans-64.8-22.9177.2-74.2-90.2000114.1Y418 G473 I474 R478 L546Y418-Y476 HydrophobicContact CE1-CD1 4.23Å; Y418-Y476 HydrophobicContact CE1-CD2 4.2Å; Y418-Y476 HydrophobicContact CE1-CE1 4.33Å; Y418-Y476 HydrophobicContact CE1-CE2 4.28Å; Y418-Y476 HydrophobicContact CE1-CG 4.17Å; Y418-Y476 VanDerWaalsContact OH-CE2 3.3Å; Y418-Y476 WeakPolarHBondContact OH-CE2 3.36Å; G473-Y476 PolarHBondContact O-N 3.18Å; I474-Y476 PolarHBondContact O-N 3.02Å; Y476-R478 PolarHBondContact O-N 3.32Å; Y476-L546 HydrophobicContact CE2-CD1 4.38Å; Y476-L546 WeakPolarHBondContact OH-CB 3.3Å
477L93.2Very high95.5Very high114 Ų11446.9 Ų46.960%0.59725%0.248SC*.G310 helixtrans-77-7.6173.6-57.8-172.1000113.1I474 L475 S479I474-L477 HydrophobicContact CD1-CD1 3.6Å; I474-L477 HydrophobicContact CD1-CG 4.35Å; I474-L477 HydrophobicContact CG1-CD1 4.37Å; I474-L477 WeakPolarHBondContact O-CB 3.4Å; I474-L477 PolarHBondContact O-N 2.99Å; L475-L477 PolarHBondContact O-N 3.04Å; L477-S479 PolarHBondContact O-N 2.97Å; L477-S479 VanDerWaalsContact O-N 3.08Å
478R90.6Very high95.5Very high171 Ų17149 Ų4965%0.64526%0.257SS*.THydrogen-bonded Turntrans45.841.3-179.3-63.8-171.9172.7-160.8-6.5113.6F419 L475 Y476F419-R478 HydrophobicContact CE1-CB 4.3Å; F419-R478 WeakPolarHBondContact CE1-O 3.04Å; L475-R478 PolarHBondContact O-N 3.37Å; Y476-R478 PolarHBondContact O-N 3.32Å
479S93.7Very high95.6Very high39 Ų3952.8 Ų52.827%0.27327%0.273SS..  trans-119.796.7-179.9-174.20000111.7L477 P481 I482 V483L477-S479 PolarHBondContact O-N 2.97Å; L477-S479 VanDerWaalsContact O-N 3.08Å; S479-P481 VanDerWaalsContact C-CD 3.48Å; S479-I482 PolarHBondContact O-N 3.32Å; S479-I482 VanDerWaalsContact O-N 3.12Å; S479-V483 PolarHBondContact O-N 3.34Å
480M92Very high95.6Very high14 Ų1451.2 Ų51.27%0.06926%0.258CS..Hα-helixtrans-53.7-41.6178.3-85.8-60.6-163.100114L415 F419 L424 I482 V483 F484L415-M480 HydrophobicContact CB-CE 4.27Å; L415-M480 HydrophobicContact CD1-CE 4.2Å; L415-M480 HydrophobicContact CD2-CE 4.26Å; L415-M480 HydrophobicContact CG-CE 4.48Å; F419-M480 HydrophobicContact CB-CE 3.84Å; F419-M480 HydrophobicContact CD1-CE 4.18Å; F419-M480 HydrophobicContact CD1-CG 3.72Å; F419-M480 HydrophobicContact CD1-SD 4.36Å; F419-M480 HydrophobicContact CD2-CE 3.52Å; F419-M480 HydrophobicContact CD2-CG 4.44Å; F419-M480 HydrophobicContact CD2-SD 4.02Å; F419-M480 HydrophobicContact CE1-CB 4.32Å; F419-M480 HydrophobicContact CE1-CG 3.6Å; F419-M480 HydrophobicContact CE1-SD 4.22Å; F419-M480 HydrophobicContact CE2-CE 4.04Å; F419-M480 HydrophobicContact CE2-CG 4.37Å; F419-M480 HydrophobicContact CE2-SD 3.91Å; F419-M480 HydrophobicContact CG-CE 3.6Å; F419-M480 HydrophobicContact CG-CG 4.14Å; F419-M480 HydrophobicContact CG-SD 4.25Å; F419-M480 HydrophobicContact CZ-CG 3.96Å; F419-M480 HydrophobicContact CZ-SD 4Å; L424-M480 HydrophobicContact CB-CE 3.86Å; L424-M480 HydrophobicContact CB-CG 4.49Å; L424-M480 HydrophobicContact CB-SD 4.48Å; L424-M480 HydrophobicContact CD1-CB 4.39Å; L424-M480 HydrophobicContact CD1-CG 3.94Å; M480-I482 PolarHBondContact O-N 3.44Å; M480-I482 VanDerWaalsContact O-N 3.15Å; M480-V483 WeakPolarHBondContact O-CA 3.46Å; M480-V483 WeakPolarHBondContact O-CB 3.44Å; M480-V483 PolarHBondContact O-N 3.14Å; M480-V483 HydrophobicContact SD-CB 4.26Å; M480-V483 HydrophobicContact SD-CG1 4.35Å; M480-F484 HydrophobicContact CB-CE2 4.3Å; M480-F484 WeakPolarHBondContact O-CD2 3.35Å; M480-F484 PolarHBondContact O-N 3.13Å
481P94.7Very high95.5Very high88 Ų8848 Ų4857%0.57124%0.241SC*.Hα-helixtrans-54.1-34.1176.4-29.737.4000114.3S479 I485S479-P481 VanDerWaalsContact C-CD 3.48Å; P481-I485 WeakPolarHBondContact O-CG1 3.3Å
482I95.1Very high95.5Very high66 Ų6649.5 Ų49.534%0.33825%0.248SC..Hα-helixtrans-80.9-35.7177.3-44.7176.3000110.6I474 S479 M480 F484 I485 V486I474-I482 HydrophobicContact CD1-CG2 3.83Å; I474-I482 HydrophobicContact CG1-CB 4.16Å; I474-I482 HydrophobicContact CG1-CG2 3.71Å; S479-I482 PolarHBondContact O-N 3.32Å; S479-I482 VanDerWaalsContact O-N 3.12Å; M480-I482 PolarHBondContact O-N 3.44Å; M480-I482 VanDerWaalsContact O-N 3.15Å; I482-F484 VanDerWaalsContact C-N 3.28Å; I482-F484 PolarHBondContact O-N 2.71Å; I482-I485 PolarHBondContact O-N 3.07Å; I482-I485 VanDerWaalsContact O-N 3.16Å; I482-V486 WeakPolarHBondContact O-CG2 3.44Å; I482-V486 PolarHBondContact O-N 3.3Å
483V96.2Very high95.5Very high0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-55.9-42.9170.9176.20000110.8L415 F419 F471 I474 L475 S479 M480 I485 V486 M487L415-V483 HydrophobicContact CD2-CG1 3.97Å; F419-V483 HydrophobicContact CE2-CG2 4.16Å; F419-V483 HydrophobicContact CZ-CG2 4.02Å; F471-V483 HydrophobicContact CE2-CG1 4.31Å; I474-V483 HydrophobicContact CG2-CG2 4.18Å; L475-V483 HydrophobicContact CD2-CG2 4.28Å; S479-V483 PolarHBondContact O-N 3.34Å; M480-V483 WeakPolarHBondContact O-CA 3.46Å; M480-V483 WeakPolarHBondContact O-CB 3.44Å; M480-V483 PolarHBondContact O-N 3.14Å; M480-V483 HydrophobicContact SD-CB 4.26Å; M480-V483 HydrophobicContact SD-CG1 4.35Å; V483-I485 PolarHBondContact O-N 2.69Å; V483-V486 PolarHBondContact O-N 2.96Å; V483-M487 HydrophobicContact CG1-CG 3.97Å; V483-M487 WeakPolarHBondContact O-CB 3.27Å; V483-M487 WeakPolarHBondContact O-CG 3.44Å; V483-M487 PolarHBondContact O-N 3.48Å
484F96.9Very high95.6Very high49 Ų4948.5 Ų48.522%0.21523%0.231CC..Hα-helixtrans-57.4-44.9175-79.5-70.5000113.3L424 W427 A428 M480 I482 M487 F488L424-F484 HydrophobicContact CD2-CE2 4.46Å; L424-F484 HydrophobicContact CD2-CZ 4.33Å; W427-F484 HydrophobicContact CB-CE1 3.67Å; W427-F484 HydrophobicContact CB-CZ 3.78Å; A428-F484 HydrophobicContact CB-CD1 4.49Å; A428-F484 HydrophobicContact CB-CE1 4.19Å; M480-F484 HydrophobicContact CB-CE2 4.3Å; M480-F484 WeakPolarHBondContact O-CD2 3.35Å; M480-F484 PolarHBondContact O-N 3.13Å; I482-F484 VanDerWaalsContact C-N 3.28Å; I482-F484 PolarHBondContact O-N 2.71Å; F484-M487 PolarHBondContact O-N 2.8Å; F484-F488 WeakPolarHBondContact O-CB 3.37Å; F484-F488 PolarHBondContact O-N 3.49Å
485I97.7Very high95.4Very high98 Ų9847.5 Ų47.550%0.50323%0.226SC..Hα-helixtrans-64.3-43178.4-63167.5000110.5P481 I482 V483 F488 F489P481-I485 WeakPolarHBondContact O-CG1 3.3Å; I482-I485 PolarHBondContact O-N 3.07Å; I482-I485 VanDerWaalsContact O-N 3.16Å; V483-I485 PolarHBondContact O-N 2.69Å; I485-F488 WeakPolarHBondContact O-CB 3.43Å; I485-F488 PolarHBondContact O-N 3.4Å; I485-F489 HydrophobicContact CG2-CD2 4.1Å; I485-F489 HydrophobicContact CG2-CE2 3.92Å; I485-F489 VanDerWaalsContact O-CD2 3.26Å; I485-F489 WeakPolarHBondContact O-CD2 3.44Å; I485-F489 PolarHBondContact O-N 3.14Å
486V97.6Very high95.1Very high7 Ų747.5 Ų47.54%0.04223%0.226CC..Hα-helixtrans-67.5-42.2179.2173.40000111.4F467 I470 F471 I474 I482 V483 F488 F489 L490F467-V486 HydrophobicContact CD1-CG1 4.37Å; I470-V486 HydrophobicContact CG2-CG1 4.06Å; I470-V486 HydrophobicContact CG2-CG2 3.64Å; F471-V486 HydrophobicContact CB-CG1 3.76Å; F471-V486 HydrophobicContact CD2-CG1 4.37Å; I474-V486 HydrophobicContact CG2-CG2 4.27Å; I482-V486 WeakPolarHBondContact O-CG2 3.44Å; I482-V486 PolarHBondContact O-N 3.3Å; V483-V486 PolarHBondContact O-N 2.96Å; V486-F488 VanDerWaalsContact C-N 3.34Å; V486-F488 PolarHBondContact O-N 3.37Å; V486-F489 PolarHBondContact O-N 2.7Å; V486-L490 VanDerWaalsContact O-CB 3.26Å; V486-L490 WeakPolarHBondContact O-CB 3.5Å; V486-L490 PolarHBondContact O-N 2.93Å
487M97.2Very high95Very high0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-65.1-34.8176.5-71.2-67.1-7700112.5V407 L411 A428 M432 F471 V483 F484 L490 G491V407-M487 HydrophobicContact CG1-CE 4.44Å; L411-M487 HydrophobicContact CD1-CE 3.49Å; L411-M487 VanDerWaalsContact CD1-CE 3.49Å; L411-M487 HydrophobicContact CD1-SD 4.36Å; L411-M487 HydrophobicContact CD2-CE 3.65Å; L411-M487 HydrophobicContact CG-CE 4.24Å; A428-M487 HydrophobicContact CB-CG 4.47Å; M432-M487 WeakPolarHBondContact CA-O 3.47Å; M432-M487 HydrophobicContact CB-CB 4.41Å; M432-M487 HydrophobicContact CB-CE 3.99Å; M432-M487 HydrophobicContact CG-CE 4.31Å; M432-M487 HydrophobicContact SD-CE 3.68Å; M432-M487 HydrophobicContact SD-SD 4.5Å; F471-M487 HydrophobicContact CD2-CG 4.46Å; F471-M487 HydrophobicContact CD2-SD 3.84Å; F471-M487 HydrophobicContact CE2-CG 4.28Å; F471-M487 HydrophobicContact CE2-SD 3.55Å; F471-M487 VanDerWaalsContact CE2-SD 3.55Å; F471-M487 HydrophobicContact CZ-SD 4.09Å; V483-M487 HydrophobicContact CG1-CG 3.97Å; V483-M487 WeakPolarHBondContact O-CB 3.27Å; V483-M487 WeakPolarHBondContact O-CG 3.44Å; V483-M487 PolarHBondContact O-N 3.48Å; F484-M487 PolarHBondContact O-N 2.8Å; M487-L490 HydrophobicContact SD-CD2 4.17Å; M487-G491 PolarHBondContact O-N 3.4Å
488F98Very high94.8Very high80 Ų8037 Ų3735%0.35118%0.179SC..Hα-helixtrans-57.9-55.4171.4-179.9-83.2000110.9T431 A435 F484 I485 V486 G491 F492T431-F488 HydrophobicContact CG2-CB 3.86Å; T431-F488 HydrophobicContact CG2-CD2 4.31Å; A435-F488 HydrophobicContact CB-CB 4.18Å; A435-F488 HydrophobicContact CB-CD1 4.18Å; A435-F488 HydrophobicContact CB-CD2 3.39Å; A435-F488 HydrophobicContact CB-CE1 4.41Å; A435-F488 HydrophobicContact CB-CE2 3.68Å; A435-F488 HydrophobicContact CB-CG 3.65Å; A435-F488 HydrophobicContact CB-CZ 4.18Å; A435-F488 WeakPolarHBondContact CB-O 3.31Å; F484-F488 WeakPolarHBondContact O-CB 3.37Å; F484-F488 PolarHBondContact O-N 3.49Å; I485-F488 WeakPolarHBondContact O-CB 3.43Å; I485-F488 PolarHBondContact O-N 3.4Å; V486-F488 VanDerWaalsContact C-N 3.34Å; V486-F488 PolarHBondContact O-N 3.37Å; F488-G491 PolarHBondContact O-N 2.89Å; F488-F492 HydrophobicContact CE1-CD2 4.41Å; F488-F492 WeakPolarHBondContact O-CB 3.49Å; F488-F492 PolarHBondContact O-N 2.98Å
489F98.1Very high94.5Very high78 Ų7830.7 Ų30.734%0.34216%0.161SC..Hα-helixtrans-68.7-39.2-178.2-73.3-65000113F467 I485 V486 G491 F492 F493F467-F489 HydrophobicContact CD1-CB 3.56Å; F467-F489 HydrophobicContact CD1-CG 4.45Å; F467-F489 HydrophobicContact CD2-CB 3.88Å; F467-F489 HydrophobicContact CE1-CB 3.42Å; F467-F489 VanDerWaalsContact CE1-CB 3.42Å; F467-F489 AromaticContact CE1-CD2 3.77Å; F467-F489 HydrophobicContact CE1-CD2 3.77Å; F467-F489 AromaticContact CE1-CG 3.82Å; F467-F489 HydrophobicContact CE1-CG 3.82Å; F467-F489 HydrophobicContact CE2-CB 3.75Å; F467-F489 HydrophobicContact CE2-CG 4.17Å; F467-F489 HydrophobicContact CG-CB 3.8Å; F467-F489 HydrophobicContact CZ-CB 3.52Å; F467-F489 HydrophobicContact CZ-CD1 4.36Å; F467-F489 AromaticContact CZ-CD2 3.85Å; F467-F489 HydrophobicContact CZ-CD2 3.85Å; F467-F489 AromaticContact CZ-CG 3.66Å; F467-F489 HydrophobicContact CZ-CG 3.66Å; I485-F489 HydrophobicContact CG2-CD2 4.1Å; I485-F489 HydrophobicContact CG2-CE2 3.92Å; I485-F489 VanDerWaalsContact O-CD2 3.26Å; I485-F489 WeakPolarHBondContact O-CD2 3.44Å; I485-F489 PolarHBondContact O-N 3.14Å; V486-F489 PolarHBondContact O-N 2.7Å; F489-G491 VanDerWaalsContact C-N 3.34Å; F489-G491 PolarHBondContact O-N 3.31Å; F489-F492 PolarHBondContact O-N 3.31Å; F489-F493 HydrophobicContact CB-CD2 4.35Å; F489-F493 HydrophobicContact CB-CE2 4.09Å; F489-F493 AromaticContact CD1-CE2 3.93Å; F489-F493 HydrophobicContact CD1-CE2 3.93Å; F489-F493 HydrophobicContact CD1-CZ 4.4Å; F489-F493 HydrophobicContact CG-CE2 4.43Å; F489-F493 WeakPolarHBondContact O-CD2 3.45Å; F489-F493 PolarHBondContact O-N 2.84Å
490L97.4Very high94.3Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-56.4-49.2174.5-174.964.9000111.1V407 F467 M468 F471 V486 M487 M494V407-L490 HydrophobicContact CG1-CD2 4.21Å; F467-L490 HydrophobicContact CB-CB 4.22Å; F467-L490 HydrophobicContact CB-CD1 4.08Å; M468-L490 HydrophobicContact CB-CD1 4.05Å; M468-L490 HydrophobicContact SD-CD1 4.45Å; M468-L490 HydrophobicContact SD-CD2 4.4Å; F471-L490 HydrophobicContact CB-CD2 4.41Å; F471-L490 HydrophobicContact CG-CD2 4.4Å; V486-L490 VanDerWaalsContact O-CB 3.26Å; V486-L490 WeakPolarHBondContact O-CB 3.5Å; V486-L490 PolarHBondContact O-N 2.93Å; M487-L490 HydrophobicContact SD-CD2 4.17Å; L490-M494 HydrophobicContact CD1-CE 3.55Å; L490-M494 HydrophobicContact CD1-CG 4.36Å; L490-M494 HydrophobicContact CD1-SD 3.82Å; L490-M494 HydrophobicContact CG-CE 4.35Å; L490-M494 HydrophobicContact CG-SD 4.02Å; L490-M494 WeakPolarHBondContact O-CB 3.25Å; L490-M494 WeakPolarHBondContact O-CG 3.1Å; L490-M494 PolarHBondContact O-N 3.25Å
491G97.1Very high94.2Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-63.2-44.2177.100000113.1M432 G436 M487 F488 F489 T495M432-G491 VanDerWaalsContact CG-CA 3.44Å; M432-G491 WeakPolarHBondContact O-CA 3.42Å; G436-G491 VanDerWaalsContact CA-O 3.25Å; G436-G491 WeakPolarHBondContact CA-O 3.35Å; M487-G491 PolarHBondContact O-N 3.4Å; F488-G491 PolarHBondContact O-N 2.89Å; F489-G491 VanDerWaalsContact C-N 3.34Å; F489-G491 PolarHBondContact O-N 3.31Å; G491-T495 VanDerWaalsContact O-CB 3.25Å; G491-T495 WeakPolarHBondContact O-CB 3.34Å; G491-T495 PolarHBondContact O-N 3.01Å; G491-T495 PolarHBondContact O-OG1 2.81Å
492F96.6Very high93.8Very high33 Ų3326.5 Ų26.515%0.14513%0.129CC..Hα-helixtrans-55.7-51.7177.3-172.8-77.4000111.9A435 F438 G439 I442 F488 F489 G496A435-F492 HydrophobicContact CB-CB 4.41Å; F438-F492 HydrophobicContact CB-CE2 4.48Å; G439-F492 VanDerWaalsContact CA-CD2 3.5Å; I442-F492 HydrophobicContact CB-CZ 4.18Å; I442-F492 HydrophobicContact CD1-CE2 3.93Å; I442-F492 HydrophobicContact CD1-CZ 4.06Å; I442-F492 HydrophobicContact CG2-CZ 4.17Å; F488-F492 HydrophobicContact CE1-CD2 4.41Å; F488-F492 WeakPolarHBondContact O-CB 3.49Å; F488-F492 PolarHBondContact O-N 2.98Å; F489-F492 PolarHBondContact O-N 3.31Å; F492-G496 PolarHBondContact O-N 3.22Å
493F96.5Very high93.4Very high27 Ų2725.8 Ų25.812%0.11812%0.124CC..Hα-helixtrans-76-43.6-176.3-63.7-59.5000112.8I460 L463 S464 F467 F489 T495 G496 Y497I460-F493 HydrophobicContact CG1-CD1 4.36Å; I460-F493 HydrophobicContact CG2-CB 4.23Å; I460-F493 HydrophobicContact CG2-CD1 4.49Å; I460-F493 WeakPolarHBondContact CG2-O 3.2Å; L463-F493 HydrophobicContact CB-CB 4.37Å; L463-F493 HydrophobicContact CB-CD1 3.97Å; L463-F493 HydrophobicContact CB-CD2 3.81Å; L463-F493 HydrophobicContact CB-CE1 4.24Å; L463-F493 HydrophobicContact CB-CE2 4.09Å; L463-F493 HydrophobicContact CB-CG 3.77Å; L463-F493 HydrophobicContact CB-CZ 4.31Å; L463-F493 HydrophobicContact CD1-CD1 3.99Å; L463-F493 HydrophobicContact CD1-CE1 3.56Å; L463-F493 HydrophobicContact CD1-CE2 4.38Å; L463-F493 HydrophobicContact CD1-CZ 3.79Å; L463-F493 HydrophobicContact CG-CE1 4.5Å; S464-F493 VanDerWaalsContact OG-C 3.3Å; S464-F493 WeakPolarHBondContact OG-CB 3.21Å; F467-F493 AromaticContact CD2-CD2 3.78Å; F467-F493 HydrophobicContact CD2-CD2 3.78Å; F467-F493 AromaticContact CD2-CE2 3.82Å; F467-F493 HydrophobicContact CD2-CE2 3.82Å; F467-F493 HydrophobicContact CE2-CD2 4.11Å; F467-F493 AromaticContact CE2-CE2 3.64Å; F467-F493 HydrophobicContact CE2-CE2 3.64Å; F489-F493 HydrophobicContact CB-CD2 4.35Å; F489-F493 HydrophobicContact CB-CE2 4.09Å; F489-F493 AromaticContact CD1-CE2 3.93Å; F489-F493 HydrophobicContact CD1-CE2 3.93Å; F489-F493 HydrophobicContact CD1-CZ 4.4Å; F489-F493 HydrophobicContact CG-CE2 4.43Å; F489-F493 WeakPolarHBondContact O-CD2 3.45Å; F489-F493 PolarHBondContact O-N 2.84Å; F493-T495 PolarHBondContact O-N 2.99Å; F493-G496 PolarHBondContact O-N 3.15Å; F493-Y497 PolarHBondContact O-N 2.91Å; F493-Y497 VanDerWaalsContact O-N 3.13Å
494M95.5Very high93.1Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-60.3-47.1177.6-74.4-176.9167.600111.4L400 V403 Y404 S464 M468 L490 G496 Y497 L498L400-M494 HydrophobicContact CD1-CE 3.96Å; L400-M494 HydrophobicContact CD1-CG 4.03Å; L400-M494 HydrophobicContact CG-CG 4.31Å; V403-M494 HydrophobicContact CG1-CE 3.71Å; Y404-M494 HydrophobicContact CD2-CB 3.82Å; Y404-M494 HydrophobicContact CD2-SD 4.08Å; Y404-M494 HydrophobicContact CE2-CB 4.47Å; Y404-M494 HydrophobicContact CG-CB 4.37Å; S464-M494 PolarHBondContact OG-N 2.68Å; M468-M494 HydrophobicContact CB-CE 4.38Å; M468-M494 HydrophobicContact SD-CE 4.43Å; L490-M494 HydrophobicContact CD1-CE 3.55Å; L490-M494 HydrophobicContact CD1-CG 4.36Å; L490-M494 HydrophobicContact CD1-SD 3.82Å; L490-M494 HydrophobicContact CG-CE 4.35Å; L490-M494 HydrophobicContact CG-SD 4.02Å; L490-M494 WeakPolarHBondContact O-CB 3.25Å; L490-M494 WeakPolarHBondContact O-CG 3.1Å; L490-M494 PolarHBondContact O-N 3.25Å; M494-G496 VanDerWaalsContact C-N 3.34Å; M494-G496 PolarHBondContact O-N 2.94Å; M494-Y497 WeakPolarHBondContact O-CB 3.39Å; M494-Y497 PolarHBondContact O-N 3.44Å; M494-L498 WeakPolarHBondContact O-CD1 3.46Å; M494-L498 PolarHBondContact O-N 3.25Å
495T91.3Very high92.8Very high5 Ų523.7 Ų23.73%0.03112%0.115CC..Hα-helixtrans-72.3-28.3179.5-39.40000112.3Y404 G436 G491 F493 Y497 L498Y404-T495 PolarHBondContact OH-OG1 2.91Å; G436-T495 WeakPolarHBondContact CA-OG1 3.25Å; G436-T495 WeakPolarHBondContact O-CB 3.43Å; G436-T495 WeakPolarHBondContact O-CG2 3.4Å; G491-T495 VanDerWaalsContact O-CB 3.25Å; G491-T495 WeakPolarHBondContact O-CB 3.34Å; G491-T495 PolarHBondContact O-N 3.01Å; G491-T495 PolarHBondContact O-OG1 2.81Å; F493-T495 PolarHBondContact O-N 2.99Å; T495-Y497 VanDerWaalsContact C-N 3.29Å; T495-Y497 PolarHBondContact O-N 3.17Å; T495-L498 PolarHBondContact O-N 3.05Å
496G88.4Confident92.1Very high0 Ų019.3 Ų19.30%09%0.093CC..Hα-helixtrans-58.1-40.6169.700000112.5F492 F493 M494 I500F492-G496 PolarHBondContact O-N 3.22Å; F493-G496 PolarHBondContact O-N 3.15Å; M494-G496 VanDerWaalsContact C-N 3.34Å; M494-G496 PolarHBondContact O-N 2.94Å; G496-I500 WeakPolarHBondContact O-CG1 3.19Å; G496-I500 PolarHBondContact O-N 2.81Å
497Y91.7Very high91.6Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-66.3-37176.3-167.2-86.4000113.3S396 Y397 L400 T457 Y461 F493 M494 T495 S499 I500 G501 T563S396-Y497 PolarHBondContact OG-OH 3.42Å; Y397-Y497 HydrophobicContact CD2-CD1 4.03Å; Y397-Y497 AromaticContact CD2-CE1 3.83Å; Y397-Y497 HydrophobicContact CD2-CE1 3.83Å; Y397-Y497 HydrophobicContact CG-CE1 4.38Å; L400-Y497 HydrophobicContact CD2-CD1 3.77Å; L400-Y497 HydrophobicContact CD2-CD2 3.94Å; L400-Y497 HydrophobicContact CD2-CE1 4.43Å; L400-Y497 HydrophobicContact CD2-CG 3.47Å; L400-Y497 VanDerWaalsContact CD2-CG 3.47Å; T457-Y497 HydrophobicContact CG2-CD2 4.1Å; T457-Y497 HydrophobicContact CG2-CE2 3.35Å; Y461-Y497 HydrophobicContact CD2-CD2 4.01Å; Y461-Y497 HydrophobicContact CD2-CE1 4.46Å; Y461-Y497 AromaticContact CD2-CE2 3.34Å; Y461-Y497 HydrophobicContact CD2-CE2 3.34Å; Y461-Y497 AromaticContact CD2-CZ 3.59Å; Y461-Y497 HydrophobicContact CE2-CE1 4.42Å; Y461-Y497 HydrophobicContact CE2-CE2 4.07Å; Y461-Y497 AromaticContact CE2-CZ 3.86Å; Y461-Y497 HydrophobicContact CG-CE2 4.18Å; F493-Y497 PolarHBondContact O-N 2.91Å; F493-Y497 VanDerWaalsContact O-N 3.13Å; M494-Y497 WeakPolarHBondContact O-CB 3.39Å; M494-Y497 PolarHBondContact O-N 3.44Å; T495-Y497 VanDerWaalsContact C-N 3.29Å; T495-Y497 PolarHBondContact O-N 3.17Å; Y497-S499 PolarHBondContact O-N 3.16Å; Y497-I500 PolarHBondContact O-N 3.01Å; Y497-G501 PolarHBondContact O-N 3.34Å; Y497-T563 HydrophobicContact CE2-CG2 4.28Å; Y497-T563 PolarHBondContact OH-OG1 2.95Å; Y497-T563 VanDerWaalsContact OH-OG1 3.09Å
498L88.2Confident91.2Very high23 Ų2319 Ų1912%0.129%0.091CC..Hα-helixtrans-55.7-39179.8-91.567.3000111.8Y397 T401 M494 T495Y397-L498 WeakPolarHBondContact CE2-O 3.48Å; Y397-L498 PolarHBondContact OH-O 3.23Å; T401-L498 HydrophobicContact CG2-CD1 4.01Å; T401-L498 HydrophobicContact CG2-CD2 3.99Å; T401-L498 HydrophobicContact CG2-CG 4.06Å; T401-L498 WeakPolarHBondContact OG1-CD1 3.41Å; M494-L498 WeakPolarHBondContact O-CD1 3.46Å; M494-L498 PolarHBondContact O-N 3.25Å; T495-L498 PolarHBondContact O-N 3.05Å
499S84.8Confident90.8Very high38 Ų3815.5 Ų15.527%0.2668%0.076SC..Hα-helixtrans-71.1-48.3175.3-63.50000112.8S440 Y497 G501 F502 E503S440-S499 WeakPolarHBondContact CB-OG 3.26Å; Y497-S499 PolarHBondContact O-N 3.16Å; S499-G501 VanDerWaalsContact C-N 3.25Å; S499-G501 PolarHBondContact O-N 3.01Å; S499-F502 PolarHBondContact O-N 2.84Å; S499-E503 PolarHBondContact O-N 3.34Å
500I88.5Confident90Very high0 Ų015.7 Ų15.70%08%0.076CC..Hα-helixtrans-60.4-38.5-179.1-55.2161.8000111.3T443 L447 I456 T457 I460 G496 Y497 F502 E503 L504T443-I500 HydrophobicContact CG2-CD1 3.29Å; T443-I500 HydrophobicContact CG2-CG1 3.45Å; T443-I500 VanDerWaalsContact CG2-CG1 3.45Å; L447-I500 HydrophobicContact CD2-CB 4.32Å; L447-I500 HydrophobicContact CD2-CG1 4.1Å; L447-I500 HydrophobicContact CD2-CG2 3.83Å; I456-I500 HydrophobicContact CG2-CD1 3.84Å; T457-I500 WeakPolarHBondContact OG1-CG2 3.36Å; I460-I500 HydrophobicContact CD1-CD1 3.85Å; G496-I500 WeakPolarHBondContact O-CG1 3.19Å; G496-I500 PolarHBondContact O-N 2.81Å; Y497-I500 PolarHBondContact O-N 3.01Å; I500-F502 VanDerWaalsContact C-N 3.29Å; I500-F502 PolarHBondContact O-N 3.17Å; I500-E503 PolarHBondContact O-N 2.93Å; I500-E503 VanDerWaalsContact O-N 3.16Å; I500-L504 HydrophobicContact CG2-CB 4.38Å; I500-L504 VanDerWaalsContact O-CB 3.3Å; I500-L504 WeakPolarHBondContact O-CB 3.26Å; I500-L504 PolarHBondContact O-N 3.35Å
501G90.4Very high89.3Confident0 Ų019.5 Ų19.50%010%0.1CC..Hα-helixtrans-56.4-41.3-177.600000113Y497 S499 A505 L521Y497-G501 PolarHBondContact O-N 3.34Å; S499-G501 VanDerWaalsContact C-N 3.25Å; S499-G501 PolarHBondContact O-N 3.01Å; G501-A505 VanDerWaalsContact O-CB 3.22Å; G501-A505 WeakPolarHBondContact O-CB 3.34Å; G501-A505 PolarHBondContact O-N 3.06Å; G501-L521 WeakPolarHBondContact O-CD1 3.49Å
502F87.2Confident88.6Confident52 Ų5220.6 Ų20.623%0.22811%0.105CC..Hα-helixtrans-66.9-46.6175.5-61.4-35.9000112.2Y397 S499 I500 A505 A506 L521 N522Y397-F502 HydrophobicContact CE1-CE1 4.41Å; Y397-F502 HydrophobicContact CE2-CE1 4.46Å; Y397-F502 AromaticContact CZ-CE1 3.85Å; Y397-F502 WeakPolarHBondContact OH-CE1 3.43Å; Y397-F502 WeakPolarHBondContact OH-CZ 3.41Å; S499-F502 PolarHBondContact O-N 2.84Å; I500-F502 VanDerWaalsContact C-N 3.29Å; I500-F502 PolarHBondContact O-N 3.17Å; F502-A505 PolarHBondContact O-N 3.35Å; F502-A506 PolarHBondContact O-N 3.36Å; F502-L521 HydrophobicContact CD1-CB 4.12Å; F502-L521 HydrophobicContact CD1-CD1 3.81Å; F502-L521 HydrophobicContact CE1-CB 3.9Å; F502-L521 HydrophobicContact CE1-CD1 4.39Å; F502-N522 WeakPolarHBondContact CE1-ND2 3.47Å; F502-N522 VanDerWaalsContact CZ-ND2 3.27Å; F502-N522 WeakPolarHBondContact CZ-ND2 3.24Å
503E85.6Confident87.5Confident52 Ų5222 Ų2224%0.24312%0.119CC..Hα-helixtrans-64.9-44.4179.5-62.8-175.6-141.100112.2L447 F453 S499 I500 A505 A506 E507L447-E503 HydrophobicContact CD2-CB 4.46Å; L447-E503 WeakPolarHBondContact CD2-OE2 3.05Å; F453-E503 HydrophobicContact CE1-CB 3.84Å; S499-E503 PolarHBondContact O-N 3.34Å; I500-E503 PolarHBondContact O-N 2.93Å; I500-E503 VanDerWaalsContact O-N 3.16Å; E503-A505 VanDerWaalsContact C-N 3.31Å; E503-A505 PolarHBondContact O-N 3.06Å; E503-A506 PolarHBondContact O-N 2.94Å; E503-E507 VanDerWaalsContact O-CB 3.26Å; E503-E507 WeakPolarHBondContact O-CB 3.36Å; E503-E507 PolarHBondContact O-N 3.34Å
504L89.8Confident86.4Confident4 Ų425.7 Ų25.72%0.02114%0.137CC..Hα-helixtrans-63.9-36.5175.9176.459.8000111.1L393 F453 T457 I500 E507 L508 I566L393-L504 HydrophobicContact CD1-CD2 4.01Å; L393-L504 HydrophobicContact CD2-CB 4.24Å; L393-L504 HydrophobicContact CD2-CD2 4.1Å; L393-L504 HydrophobicContact CD2-CG 3.89Å; F453-L504 HydrophobicContact CB-CD1 4.04Å; F453-L504 HydrophobicContact CD1-CB 4.13Å; F453-L504 HydrophobicContact CD1-CD1 4.36Å; T457-L504 HydrophobicContact CG2-CD2 3.99Å; I500-L504 HydrophobicContact CG2-CB 4.38Å; I500-L504 VanDerWaalsContact O-CB 3.3Å; I500-L504 WeakPolarHBondContact O-CB 3.26Å; I500-L504 PolarHBondContact O-N 3.35Å; L504-E507 PolarHBondContact O-N 2.88Å; L504-L508 HydrophobicContact CD1-CD1 3.83Å; L504-L508 HydrophobicContact CD1-CD2 4.38Å; L504-L508 HydrophobicContact CD1-CG 3.77Å; L504-L508 HydrophobicContact CD2-CD1 4.5Å; L504-L508 HydrophobicContact CG-CD1 3.86Å; L504-L508 HydrophobicContact CG-CG 4.22Å; L504-L508 VanDerWaalsContact O-CB 3.3Å; L504-L508 WeakPolarHBondContact O-CB 3.43Å; L504-L508 VanDerWaalsContact O-CG 3.24Å; L504-L508 WeakPolarHBondContact O-CG 3.36Å; L504-L508 PolarHBondContact O-N 3.39Å; L504-I566 HydrophobicContact CD2-CD1 4.48Å
505A90.4Very high85.3Confident0 Ų028.6 Ų28.60%017%0.166CC..Hα-helixtrans-64.9-49.4173.400000111.6F390 L393 G501 F502 E503 E507 L508 T509 L521F390-A505 HydrophobicContact CD2-CB 4.34Å; F390-A505 HydrophobicContact CE2-CB 4.15Å; L393-A505 HydrophobicContact CD2-CB 3.86Å; G501-A505 VanDerWaalsContact O-CB 3.22Å; G501-A505 WeakPolarHBondContact O-CB 3.34Å; G501-A505 PolarHBondContact O-N 3.06Å; F502-A505 PolarHBondContact O-N 3.35Å; E503-A505 VanDerWaalsContact C-N 3.31Å; E503-A505 PolarHBondContact O-N 3.06Å; A505-E507 PolarHBondContact O-N 2.73Å; A505-L508 PolarHBondContact O-N 2.9Å; A505-T509 WeakPolarHBondContact O-CB 3.46Å; A505-T509 VanDerWaalsContact O-CG2 3.27Å; A505-T509 WeakPolarHBondContact O-CG2 3.19Å; A505-T509 PolarHBondContact O-N 3.36Å; A505-T509 PolarHBondContact O-OG1 3.37Å; A505-L521 HydrophobicContact CB-CD1 3.57Å; A505-L521 HydrophobicContact CB-CG 4.38Å
506A84.7Confident84.7Confident6 Ų630.1 Ų30.15%0.0517%0.174CC..Hα-helixtrans-56.7-34.4175.800000112.6F502 E503 Y510 E514F502-A506 PolarHBondContact O-N 3.36Å; E503-A506 PolarHBondContact O-N 2.94Å; A506-Y510 PolarHBondContact O-N 3.47Å; A506-E514 HydrophobicContact CB-CB 4.26Å; A506-E514 HydrophobicContact CB-CG 4.01Å
507E86.7Confident84.6Confident1 Ų130.1 Ų30.11%0.00517%0.174CC..Hα-helixtrans-76.8-36178.6-165.357.7-120.400113.2E503 L504 A505 L570 Y571 R572 Q573E503-E507 VanDerWaalsContact O-CB 3.26Å; E503-E507 WeakPolarHBondContact O-CB 3.36Å; E503-E507 PolarHBondContact O-N 3.34Å; L504-E507 PolarHBondContact O-N 2.88Å; A505-E507 PolarHBondContact O-N 2.73Å; E507-L570 HydrophobicContact CG-CB 3.81Å; E507-L570 HydrophobicContact CG-CD2 3.56Å; E507-L570 HydrophobicContact CG-CG 4.22Å; E507-Y571 PolarHBondContact O-N 2.96Å; E507-R572 WeakPolarHBondContact OE1-CA 3.44Å; E507-R572 VanDerWaalsContact OE1-CB 3.31Å; E507-R572 WeakPolarHBondContact OE1-CB 3.45Å; E507-R572 PolarHBondContact OE1-N 2.99Å; E507-R572 IonicContact OE2-CZ 3.97Å; E507-R572 VanDerWaalsContact OE2-CZ 3.22Å; E507-R572 IonicContact OE2-NE 3.08Å; E507-R572 PolarHBondContact OE2-NE 3.47Å; E507-R572 IonicContact OE2-NH2 2.69Å; E507-R572 PolarHBondContact OE2-NH2 3.12Å; E507-Q573 PolarHBondContact OE1-N 2.95Å
508L88.6Confident84.2Confident0 Ų031 Ų310%018%0.181CC..Hα-helixtrans-80.6-22.1175.7-73.5176.2000114.2N387 P389 L393 L504 A505 I566 Y571N387-L508 PolarHBondContact ND2-O 3.32Å; P389-L508 HydrophobicContact CB-CD1 4.03Å; P389-L508 HydrophobicContact CB-CD2 3.91Å; L393-L508 HydrophobicContact CD2-CD1 4.08Å; L504-L508 HydrophobicContact CD1-CD1 3.83Å; L504-L508 HydrophobicContact CD1-CD2 4.38Å; L504-L508 HydrophobicContact CD1-CG 3.77Å; L504-L508 HydrophobicContact CD2-CD1 4.5Å; L504-L508 HydrophobicContact CG-CD1 3.86Å; L504-L508 HydrophobicContact CG-CG 4.22Å; L504-L508 VanDerWaalsContact O-CB 3.3Å; L504-L508 WeakPolarHBondContact O-CB 3.43Å; L504-L508 VanDerWaalsContact O-CG 3.24Å; L504-L508 WeakPolarHBondContact O-CG 3.36Å; L504-L508 PolarHBondContact O-N 3.39Å; A505-L508 PolarHBondContact O-N 2.9Å; L508-I566 HydrophobicContact CD1-CG2 3.94Å; L508-Y571 WeakPolarHBondContact O-CD2 3.46Å
509T88.6Confident83.9Confident6 Ų630.8 Ų30.84%0.03718%0.184CC..Hα-helixtrans-107.3-3-173.168.90000114.8L384 F390 A505 E512L384-T509 HydrophobicContact CD2-CG2 3.31Å; F390-T509 HydrophobicContact CB-CG2 4.01Å; F390-T509 HydrophobicContact CD2-CG2 3.3Å; F390-T509 HydrophobicContact CE2-CG2 3.91Å; F390-T509 HydrophobicContact CG-CG2 3.71Å; A505-T509 WeakPolarHBondContact O-CB 3.46Å; A505-T509 VanDerWaalsContact O-CG2 3.27Å; A505-T509 WeakPolarHBondContact O-CG2 3.19Å; A505-T509 PolarHBondContact O-N 3.36Å; A505-T509 PolarHBondContact O-OG1 3.37Å; T509-E512 WeakPolarHBondContact O-CB 3.47Å; T509-E512 VanDerWaalsContact O-CG 3.24Å; T509-E512 WeakPolarHBondContact O-CG 3.32Å; T509-E512 PolarHBondContact O-N 3.3Å
510Y82.5Confident84.2Confident83 Ų8329.6 Ų29.633%0.32518%0.175SC..THydrogen-bonded Turntrans-51.9132.3-179.6-174.1-92.8000112A506 R572 A575A506-Y510 PolarHBondContact O-N 3.47Å; Y510-R572 HydrophobicContact CD1-CB 4.41Å; Y510-R572 HydrophobicContact CD2-CB 3.85Å; Y510-R572 HydrophobicContact CD2-CG 3.93Å; Y510-R572 HydrophobicContact CE2-CG 4.27Å; Y510-R572 HydrophobicContact CG-CB 3.77Å; Y510-R572 HydrophobicContact CG-CG 4.34Å; Y510-A575 HydrophobicContact CD1-CB 4.35Å; Y510-A575 HydrophobicContact CE1-CB 3.84Å
511P82.8Confident84.4Confident80 Ų8029.6 Ų29.652%0.51918%0.175SC..THydrogen-bonded Turncis-92.714.412.337.6-37.4000116.2
512E81.4Confident84.4Confident22 Ų2230.8 Ų30.810%0.10318%0.181CC..SBendtrans-59.1145.9177.1-61.9-74-177.900112A380 R383 L384 T509 E514A380-E512 VanDerWaalsContact CB-OE2 3.32Å; A380-E512 WeakPolarHBondContact CB-OE2 3.34Å; R383-E512 IonicContact CZ-OE1 2.64Å; R383-E512 IonicContact NE-OE1 3.07Å; R383-E512 PolarHBondContact NE-OE1 3.35Å; R383-E512 IonicContact NH2-OE1 3.99Å; R383-E512 PolarHBondContact NH2-OE1 3.04Å; R383-E512 IonicContact NH2-OE2 2.59Å; R383-E512 PolarHBondContact NH2-OE2 3.2Å; L384-E512 HydrophobicContact CD2-CB 4.16Å; L384-E512 HydrophobicContact CD2-CG 3.9Å; L384-E512 HydrophobicContact CG-CG 4.15Å; T509-E512 WeakPolarHBondContact O-CB 3.47Å; T509-E512 VanDerWaalsContact O-CG 3.24Å; T509-E512 WeakPolarHBondContact O-CG 3.32Å; T509-E512 PolarHBondContact O-N 3.3Å; E512-E514 PolarHBondContact O-N 3.05Å
513S74.3Confident84.7Confident62 Ų6229 Ų2943%0.43417%0.174SC..  trans-65.2128.9-176.6710000113.2G515 L516 S517S513-G515 PolarHBondContact O-N 3.42Å; S513-G515 VanDerWaalsContact O-N 3.16Å; S513-L516 WeakPolarHBondContact O-CB 3.39Å; S513-L516 PolarHBondContact O-N 2.7Å; S513-L516 WeakPolarHBondContact OG-CB 3.41Å; S513-S517 PolarHBondContact O-N 3.45Å
514E72.9Confident85.2Confident106 Ų10626.5 Ų26.550%0.49516%0.163SC..Hα-helixtrans-52.4-34.6177.8176.1172.2-146.600113.9A506 E512 L516 S517 S518A506-E514 HydrophobicContact CB-CB 4.26Å; A506-E514 HydrophobicContact CB-CG 4.01Å; E512-E514 PolarHBondContact O-N 3.05Å; E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 3.19Å; E514-S517 PolarHBondContact O-OG 3.33Å; E514-S518 WeakPolarHBondContact O-CB 3.33Å; E514-S518 PolarHBondContact O-N 3.45Å; E514-S518 PolarHBondContact O-OG 2.99Å
515G72.3Confident85.6Confident60 Ų6026.3 Ų26.362%0.61916%0.162SC*.Hα-helixtrans-67.5-29.8174.900000113.9S513 G519S513-G515 PolarHBondContact O-N 3.42Å; S513-G515 VanDerWaalsContact O-N 3.16Å; G515-G519 PolarHBondContact O-N 2.98Å
516L79.6Confident85.9Confident37 Ų3726.5 Ų26.519%0.19416%0.162CC..Hα-helixtrans-76.7-46.9175.9179.160.7000111.1I377 A380 L381 L384 S513 E514 G519 L520I377-L516 HydrophobicContact CG2-CD1 4.44Å; A380-L516 HydrophobicContact CB-CD2 3.59Å; L381-L516 HydrophobicContact CD2-CD1 4.15Å; L384-L516 HydrophobicContact CD1-CD2 3.67Å; L384-L516 HydrophobicContact CD1-CG 3.85Å; S513-L516 WeakPolarHBondContact O-CB 3.39Å; S513-L516 PolarHBondContact O-N 2.7Å; S513-L516 WeakPolarHBondContact OG-CB 3.41Å; E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 3.19Å; L516-G519 PolarHBondContact O-N 2.8Å; L516-L520 WeakPolarHBondContact O-CG 3.31Å; L516-L520 PolarHBondContact O-N 2.9Å
517S84.7Confident86.6Confident0 Ų028.9 Ų28.90%017%0.174CC..Hα-helixtrans-66.6-41.9179.157.10000111.8S513 E514 L520 L521S513-S517 PolarHBondContact O-N 3.45Å; E514-S517 PolarHBondContact O-OG 3.33Å; S517-L520 PolarHBondContact O-N 3.35Å; S517-L521 WeakPolarHBondContact O-CG 3.47Å; S517-L521 PolarHBondContact O-N 2.77Å
518S83.4Confident87.1Confident19 Ų1931.1 Ų31.113%0.13318%0.184CC..Hα-helixtrans-67-35.7172.9-540000113E514 L521 N522E514-S518 WeakPolarHBondContact O-CB 3.33Å; E514-S518 PolarHBondContact O-N 3.45Å; E514-S518 PolarHBondContact O-OG 2.99Å; S518-L521 PolarHBondContact O-N 3.45Å; S518-N522 PolarHBondContact O-N 3.41Å; S518-N522 PolarHBondContact O-ND2 2.79Å
519G83.5Confident87.6Confident19 Ų1931.1 Ų31.120%0.19618%0.184CC..Hα-helixtrans-64.5-38.8173.900000112.8G515 L516 T523G515-G519 PolarHBondContact O-N 2.98Å; L516-G519 PolarHBondContact O-N 2.8Å; G519-T523 PolarHBondContact O-N 2.94Å; G519-T523 PolarHBondContact O-OG1 3.4Å
520L89.4Confident88Confident13 Ų1332.1 Ų32.17%0.06819%0.189CC..Hα-helixtrans-66.3-42.6172.5-75.3175.1000112.4L381 L384 F385 F390 F394 L516 S517 N522 T523 S524L381-L520 HydrophobicContact CD2-CD1 3.8Å; L381-L520 HydrophobicContact CD2-CD2 3.83Å; L381-L520 HydrophobicContact CD2-CG 4.21Å; L384-L520 HydrophobicContact CB-CD1 4.48Å; L384-L520 HydrophobicContact CD1-CD1 3.73Å; F385-L520 HydrophobicContact CE2-CD1 4.19Å; F385-L520 HydrophobicContact CE2-CD2 4.13Å; F385-L520 HydrophobicContact CZ-CD2 4.27Å; F390-L520 HydrophobicContact CE1-CD1 3.97Å; F390-L520 HydrophobicContact CZ-CB 4.06Å; F390-L520 HydrophobicContact CZ-CD1 3.84Å; F394-L520 HydrophobicContact CD2-CB 4.16Å; F394-L520 HydrophobicContact CE2-CB 4.01Å; F394-L520 HydrophobicContact CE2-CD2 4.44Å; F394-L520 VanDerWaalsContact CE2-O 3.25Å; F394-L520 WeakPolarHBondContact CE2-O 3.42Å; L516-L520 WeakPolarHBondContact O-CG 3.31Å; L516-L520 PolarHBondContact O-N 2.9Å; S517-L520 PolarHBondContact O-N 3.35Å; L520-N522 PolarHBondContact O-N 3.24Å; L520-T523 CarbonylContact O-C 3.34Å; L520-T523 WeakPolarHBondContact O-CA 3.5Å; L520-T523 WeakPolarHBondContact O-CB 3.44Å; L520-T523 PolarHBondContact O-N 2.93Å; L520-T523 VanDerWaalsContact O-N 3.1Å; L520-S524 PolarHBondContact O-N 3.36Å
521L92.9Very high88.8Confident0 Ų032.4 Ų32.40%020%0.195CC..Hα-helixtrans-61.1-43.2176.1-73.2-178.4000112.4L393 Y397 G501 F502 A505 S517 S518 T523 S524 A525L393-L521 HydrophobicContact CG-CD2 4.27Å; Y397-L521 HydrophobicContact CD1-CB 3.84Å; Y397-L521 HydrophobicContact CD1-CD2 4.13Å; Y397-L521 HydrophobicContact CD1-CG 4.46Å; Y397-L521 WeakPolarHBondContact CD1-O 3.38Å; Y397-L521 HydrophobicContact CD2-CD1 4.24Å; Y397-L521 HydrophobicContact CD2-CD2 4.42Å; Y397-L521 HydrophobicContact CE1-CB 3.88Å; Y397-L521 WeakPolarHBondContact CE1-O 3.34Å; Y397-L521 HydrophobicContact CE2-CD1 4.41Å; Y397-L521 HydrophobicContact CG-CB 4.27Å; Y397-L521 HydrophobicContact CG-CD1 4.43Å; Y397-L521 HydrophobicContact CG-CD2 3.87Å; Y397-L521 HydrophobicContact CG-CG 4.42Å; G501-L521 WeakPolarHBondContact O-CD1 3.49Å; F502-L521 HydrophobicContact CD1-CB 4.12Å; F502-L521 HydrophobicContact CD1-CD1 3.81Å; F502-L521 HydrophobicContact CE1-CB 3.9Å; F502-L521 HydrophobicContact CE1-CD1 4.39Å; A505-L521 HydrophobicContact CB-CD1 3.57Å; A505-L521 HydrophobicContact CB-CG 4.38Å; S517-L521 WeakPolarHBondContact O-CG 3.47Å; S517-L521 PolarHBondContact O-N 2.77Å; S518-L521 PolarHBondContact O-N 3.45Å; L521-T523 VanDerWaalsContact C-N 3.34Å; L521-T523 PolarHBondContact O-N 3.39Å; L521-S524 WeakPolarHBondContact O-CB 3.45Å; L521-S524 PolarHBondContact O-N 3.03Å; L521-A525 PolarHBondContact O-N 3.16Å
522N91.6Very high89.5Confident24 Ų2428.7 Ų28.713%0.12817%0.171CC..Hα-helixtrans-60.1-43.4170.6-77.8-73.7000111.6Y76 F502 S518 L520 S524 A525 Q526Y76-N522 HydrophobicContact CE1-CB 4.43Å; Y76-N522 WeakPolarHBondContact OH-CB 3.41Å; F502-N522 WeakPolarHBondContact CE1-ND2 3.47Å; F502-N522 VanDerWaalsContact CZ-ND2 3.27Å; F502-N522 WeakPolarHBondContact CZ-ND2 3.24Å; S518-N522 PolarHBondContact O-N 3.41Å; S518-N522 PolarHBondContact O-ND2 2.79Å; L520-N522 PolarHBondContact O-N 3.24Å; N522-S524 VanDerWaalsContact C-N 3.29Å; N522-S524 PolarHBondContact O-N 3.37Å; N522-A525 WeakPolarHBondContact O-CB 3.46Å; N522-A525 PolarHBondContact O-N 3.18Å; N522-Q526 VanDerWaalsContact O-CG 3.3Å; N522-Q526 WeakPolarHBondContact O-CG 3.45Å; N522-Q526 PolarHBondContact O-N 3.19Å; N522-Q526 VanDerWaalsContact O-N 3.12Å
523T93.7Very high90.3Very high15 Ų1527.6 Ų27.69%0.09217%0.166CC..Hα-helixtrans-61.1-38.6177.1-53.10000111.6G519 L520 L521 Q526 I527G519-T523 PolarHBondContact O-N 2.94Å; G519-T523 PolarHBondContact O-OG1 3.4Å; L520-T523 CarbonylContact O-C 3.34Å; L520-T523 WeakPolarHBondContact O-CA 3.5Å; L520-T523 WeakPolarHBondContact O-CB 3.44Å; L520-T523 PolarHBondContact O-N 2.93Å; L520-T523 VanDerWaalsContact O-N 3.1Å; L521-T523 VanDerWaalsContact C-N 3.34Å; L521-T523 PolarHBondContact O-N 3.39Å; T523-Q526 PolarHBondContact O-N 3.21Å; T523-I527 HydrophobicContact CG2-CD1 4.12Å; T523-I527 VanDerWaalsContact O-CG1 3.32Å; T523-I527 WeakPolarHBondContact O-CG1 3.47Å; T523-I527 PolarHBondContact O-N 3.15Å
524S96.4Very high91.4Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-63.1-46.6173.8-164.40000112.1F394 G398 L520 L521 N522 Q526 I527 F528F394-S524 WeakPolarHBondContact CE1-OG 3.45Å; F394-S524 WeakPolarHBondContact O-CB 3.4Å; F394-S524 PolarHBondContact O-OG 3.01Å; G398-S524 WeakPolarHBondContact CA-OG 3.5Å; L520-S524 PolarHBondContact O-N 3.36Å; L521-S524 WeakPolarHBondContact O-CB 3.45Å; L521-S524 PolarHBondContact O-N 3.03Å; N522-S524 VanDerWaalsContact C-N 3.29Å; N522-S524 PolarHBondContact O-N 3.37Å; S524-Q526 VanDerWaalsContact C-N 3.25Å; S524-Q526 PolarHBondContact O-N 3.42Å; S524-I527 PolarHBondContact O-N 3.49Å; S524-I527 VanDerWaalsContact O-N 3.14Å; S524-F528 WeakPolarHBondContact O-CD2 3.48Å; S524-F528 PolarHBondContact O-N 3.25Å
525A96.8Very high92.6Very high0 Ų026.4 Ų26.40%016%0.157CC..Hα-helixtrans-55.4-39.6176.500000112.8Y397 T401 Y405 L521 N522 G529Y397-A525 HydrophobicContact CD1-CB 4.5Å; Y397-A525 HydrophobicContact CE1-CB 4.2Å; T401-A525 HydrophobicContact CG2-CB 3.46Å; T401-A525 VanDerWaalsContact CG2-CB 3.46Å; Y405-A525 HydrophobicContact CE2-CB 4.06Å; L521-A525 PolarHBondContact O-N 3.16Å; N522-A525 WeakPolarHBondContact O-CB 3.46Å; N522-A525 PolarHBondContact O-N 3.18Å; A525-G529 PolarHBondContact O-N 3.43Å
526Q97.4Very high93.8Very high3 Ų323.6 Ų23.61%0.01413%0.128CC..Hα-helixtrans-70.4-43.1176.6-57.6-74.415.700112M73 Y76 I77 N522 T523 S524 L530M73-Q526 HydrophobicContact CB-CB 4.2Å; M73-Q526 VanDerWaalsContact CG-OE1 3.26Å; Y76-Q526 HydrophobicContact CD1-CB 4.38Å; Y76-Q526 HydrophobicContact CD1-CG 3.66Å; Y76-Q526 HydrophobicContact CE1-CG 4.21Å; Y76-Q526 HydrophobicContact CG-CG 3.83Å; I77-Q526 HydrophobicContact CD1-CB 4.25Å; I77-Q526 HydrophobicContact CG1-CB 3.91Å; N522-Q526 VanDerWaalsContact O-CG 3.3Å; N522-Q526 WeakPolarHBondContact O-CG 3.45Å; N522-Q526 PolarHBondContact O-N 3.19Å; N522-Q526 VanDerWaalsContact O-N 3.12Å; T523-Q526 PolarHBondContact O-N 3.21Å; S524-Q526 VanDerWaalsContact C-N 3.25Å; S524-Q526 PolarHBondContact O-N 3.42Å; Q526-L530 VanDerWaalsContact O-CB 3.28Å; Q526-L530 WeakPolarHBondContact O-CB 3.29Å; Q526-L530 PolarHBondContact O-N 2.84Å
527I98.2Very high94.6Very high57 Ų5721.9 Ų21.929%0.29212%0.118SC..Hα-helixtrans-59.9-50176.6-69.7164.1000110.7I77 T523 S524 I531I77-I527 HydrophobicContact CD1-CB 4.41Å; I77-I527 HydrophobicContact CD1-CG1 3.65Å; I77-I527 HydrophobicContact CG1-CG1 3.92Å; I77-I527 HydrophobicContact CG2-CG1 4.38Å; T523-I527 HydrophobicContact CG2-CD1 4.12Å; T523-I527 VanDerWaalsContact O-CG1 3.32Å; T523-I527 WeakPolarHBondContact O-CG1 3.47Å; T523-I527 PolarHBondContact O-N 3.15Å; S524-I527 PolarHBondContact O-N 3.49Å; S524-I527 VanDerWaalsContact O-N 3.14Å; I527-I531 HydrophobicContact CG2-CD1 3.93Å; I527-I531 WeakPolarHBondContact O-CD1 3.36Å; I527-I531 WeakPolarHBondContact O-CG1 3.1Å; I527-I531 PolarHBondContact O-N 2.78Å
528F98.3Very high95.1Very high47 Ų4723.6 Ų23.621%0.20613%0.13CC..Hα-helixtrans-70.7-41.4-179.5-82.6-85.7000111.9I395 G398 I399 S524 L530 I531 L532I395-F528 HydrophobicContact CG2-CE2 4.47Å; I395-F528 HydrophobicContact CG2-CZ 3.89Å; G398-F528 WeakPolarHBondContact O-CB 3.22Å; I399-F528 HydrophobicContact CD1-CE1 4.34Å; I399-F528 HydrophobicContact CG1-CD1 3.7Å; I399-F528 HydrophobicContact CG1-CE1 3.59Å; I399-F528 HydrophobicContact CG1-CG 4.42Å; I399-F528 HydrophobicContact CG1-CZ 4.23Å; S524-F528 WeakPolarHBondContact O-CD2 3.48Å; S524-F528 PolarHBondContact O-N 3.25Å; F528-L530 VanDerWaalsContact C-N 3.31Å; F528-L530 PolarHBondContact O-N 2.97Å; F528-I531 PolarHBondContact O-N 3.21Å; F528-L532 HydrophobicContact CB-CD1 4.27Å; F528-L532 WeakPolarHBondContact O-CB 3.3Å; F528-L532 WeakPolarHBondContact O-CD1 3.49Å; F528-L532 WeakPolarHBondContact O-CG 3.18Å; F528-L532 PolarHBondContact O-N 2.96Å
529G98.3Very high95.7Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-56.1-44.8174.600000112.7A525 L532 I533A525-G529 PolarHBondContact O-N 3.43Å; G529-L532 PolarHBondContact O-N 3.49Å; G529-I533 WeakPolarHBondContact O-CG1 3.46Å; G529-I533 PolarHBondContact O-N 2.85Å
530L98.3Very high96.2Very high28 Ų2825 Ų2515%0.14713%0.129CC..Hα-helixtrans-58.7-51.8176.2176.260.2000111.5W67 M70 M73 L74 I77 Q526 F528 H534W67-L530 HydrophobicContact CH2-CD1 4.21Å; W67-L530 HydrophobicContact CZ3-CD1 4.17Å; M70-L530 HydrophobicContact CB-CD1 3.69Å; M70-L530 HydrophobicContact CG-CD1 4.07Å; M70-L530 HydrophobicContact SD-CD1 4.1Å; M73-L530 HydrophobicContact CB-CB 4.11Å; M73-L530 HydrophobicContact SD-CB 4.46Å; M73-L530 PolarHBondContact SD-N 3.34Å; L74-L530 HydrophobicContact CB-CD2 4.3Å; L74-L530 HydrophobicContact CD1-CD2 4.26Å; I77-L530 HydrophobicContact CD1-CD2 4.26Å; Q526-L530 VanDerWaalsContact O-CB 3.28Å; Q526-L530 WeakPolarHBondContact O-CB 3.29Å; Q526-L530 PolarHBondContact O-N 2.84Å; F528-L530 VanDerWaalsContact C-N 3.31Å; F528-L530 PolarHBondContact O-N 2.97Å; L530-H534 WeakPolarHBondContact O-CB 3.43Å; L530-H534 PolarHBondContact O-N 3.49Å; L530-H534 VanDerWaalsContact O-N 3.09Å
531I98.3Very high96.3Very high88 Ų8825.9 Ų25.945%0.45114%0.135SC..Hα-helixtrans-62.9-44.2179.4-66.8165.2000111.1I527 F528 H534 V535I527-I531 HydrophobicContact CG2-CD1 3.93Å; I527-I531 WeakPolarHBondContact O-CD1 3.36Å; I527-I531 WeakPolarHBondContact O-CG1 3.1Å; I527-I531 PolarHBondContact O-N 2.78Å; F528-I531 PolarHBondContact O-N 3.21Å; I531-H534 PolarHBondContact O-N 2.92Å; I531-V535 WeakPolarHBondContact O-CG2 3.31Å; I531-V535 PolarHBondContact O-N 3.27Å
532L98.2Very high96.2Very high2 Ų230.7 Ų30.71%0.0116%0.157CC..Hα-helixtrans-68.5-42.8-174.5-70.5169000112.1V403 A406 F528 G529 A536 F551 L552 L555V403-L532 HydrophobicContact CG2-CD1 3.86Å; A406-L532 HydrophobicContact CB-CB 4.23Å; F528-L532 HydrophobicContact CB-CD1 4.27Å; F528-L532 WeakPolarHBondContact O-CB 3.3Å; F528-L532 WeakPolarHBondContact O-CD1 3.49Å; F528-L532 WeakPolarHBondContact O-CG 3.18Å; F528-L532 PolarHBondContact O-N 2.96Å; G529-L532 PolarHBondContact O-N 3.49Å; L532-A536 WeakPolarHBondContact O-CB 3.33Å; L532-A536 PolarHBondContact O-N 3.31Å; L532-F551 HydrophobicContact CD2-CE1 3.73Å; L532-F551 HydrophobicContact CD2-CZ 3.82Å; L532-L552 HydrophobicContact CB-CD2 4.13Å; L532-L552 HydrophobicContact CD2-CD2 4.12Å; L532-L555 HydrophobicContact CD2-CD1 3.33Å
533I98.3Very high96.3Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-65.3-45.5174-65.5162.3000110D66 M70 M73 A406 T409 L410 G529 V535 A536 T537D66-I533 HydrophobicContact CB-CG2 4.11Å; M70-I533 HydrophobicContact CE-CG2 3.86Å; M70-I533 HydrophobicContact CG-CB 3.85Å; M70-I533 HydrophobicContact CG-CD1 4.16Å; M70-I533 HydrophobicContact CG-CG2 3.64Å; M70-I533 HydrophobicContact SD-CB 3.85Å; M70-I533 HydrophobicContact SD-CG2 3.61Å; M73-I533 HydrophobicContact CE-CD1 3.53Å; M73-I533 HydrophobicContact SD-CD1 4.04Å; A406-I533 HydrophobicContact CB-CG1 3.83Å; T409-I533 HydrophobicContact CG2-CD1 4.07Å; T409-I533 HydrophobicContact CG2-CG2 4.27Å; T409-I533 WeakPolarHBondContact OG1-CD1 3.38Å; L410-I533 HydrophobicContact CD2-CG2 4.34Å; G529-I533 WeakPolarHBondContact O-CG1 3.46Å; G529-I533 PolarHBondContact O-N 2.85Å; I533-V535 PolarHBondContact O-N 3.09Å; I533-A536 PolarHBondContact O-N 2.82Å; I533-T537 WeakPolarHBondContact O-CB 3.35Å; I533-T537 PolarHBondContact O-N 3.45Å; I533-T537 PolarHBondContact O-OG1 3.3Å
534H97Very high96.2Very high88 Ų8838.4 Ų38.441%0.40719%0.194SC..Hα-helixtrans-63.4-28.6-177.2-162.182.7000113.4W67 M70 L530 I531 P538W67-H534 AromaticContact CZ2-CE1 3.86Å; W67-H534 AromaticContact CZ2-ND1 3.75Å; W67-H534 AromaticContact NE1-ND1 3.98Å; M70-H534 HydrophobicContact SD-CB 3.81Å; L530-H534 WeakPolarHBondContact O-CB 3.43Å; L530-H534 PolarHBondContact O-N 3.49Å; L530-H534 VanDerWaalsContact O-N 3.09Å; I531-H534 PolarHBondContact O-N 2.92Å; H534-P538 WeakPolarHBondContact O-CD 3.42Å; H534-P538 WeakPolarHBondContact O-CG 3.13Å
535V97.4Very high96.1Very high55 Ų5539.1 Ų39.133%0.33320%0.198SC..Hα-helixtrans-91.4-41.6175.3176.10000112.5I531 I533 T537 P538 L539 F551I531-V535 WeakPolarHBondContact O-CG2 3.31Å; I531-V535 PolarHBondContact O-N 3.27Å; I533-V535 PolarHBondContact O-N 3.09Å; V535-T537 VanDerWaalsContact C-N 3.28Å; V535-T537 PolarHBondContact O-N 2.88Å; V535-P538 WeakPolarHBondContact O-CD 3.17Å; V535-P538 WeakPolarHBondContact O-CG 3.49Å; V535-L539 HydrophobicContact CG1-CD1 3.91Å; V535-L539 HydrophobicContact CG1-CG 4.48Å; V535-L539 WeakPolarHBondContact O-CG 3.12Å; V535-L539 PolarHBondContact O-N 3.39Å; V535-F551 HydrophobicContact CB-CE1 3.91Å; V535-F551 HydrophobicContact CB-CE2 4.41Å; V535-F551 HydrophobicContact CB-CZ 3.68Å; V535-F551 HydrophobicContact CG1-CD1 4.36Å; V535-F551 HydrophobicContact CG1-CD2 4.26Å; V535-F551 HydrophobicContact CG1-CE1 3.81Å; V535-F551 HydrophobicContact CG1-CE2 3.68Å; V535-F551 HydrophobicContact CG1-CZ 3.42Å; V535-F551 VanDerWaalsContact CG1-CZ 3.42Å; V535-F551 HydrophobicContact CG2-CZ 4.47Å
536A97.5Very high96Very high1 Ų142 Ų421%0.00821%0.214CC..Hα-helixtrans-67.4-28.5-178.800000112.8L410 L532 I533 R540 F551 L552L410-A536 HydrophobicContact CD1-CB 3.8Å; L532-A536 WeakPolarHBondContact O-CB 3.33Å; L532-A536 PolarHBondContact O-N 3.31Å; I533-A536 PolarHBondContact O-N 2.82Å; A536-R540 WeakPolarHBondContact O-CB 3.19Å; A536-R540 PolarHBondContact O-N 3.38Å; A536-F551 HydrophobicContact CB-CD1 4.05Å; A536-F551 HydrophobicContact CB-CE1 4.23Å; A536-L552 HydrophobicContact CB-CD1 4.48Å; A536-L552 HydrophobicContact CB-CD2 4.28Å; A536-L552 HydrophobicContact CB-CG 4.33Å
537T96.4Very high95.9Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-65-58.6178.8-51.80000113.1T62 I63 D66 L410 I533 V535 L539 R540 T541T62-T537 HydrophobicContact CG2-CG2 4.22Å; I63-T537 HydrophobicContact CB-CG2 4.35Å; I63-T537 HydrophobicContact CG1-CG2 3.56Å; D66-T537 HydrophobicContact CB-CG2 4.42Å; D66-T537 VanDerWaalsContact OD2-CG2 3.25Å; D66-T537 WeakPolarHBondContact OD2-CG2 3.47Å; L410-T537 WeakPolarHBondContact CD2-OG1 3.2Å; I533-T537 WeakPolarHBondContact O-CB 3.35Å; I533-T537 PolarHBondContact O-N 3.45Å; I533-T537 PolarHBondContact O-OG1 3.3Å; V535-T537 VanDerWaalsContact C-N 3.28Å; V535-T537 PolarHBondContact O-N 2.88Å; T537-L539 VanDerWaalsContact C-N 3.28Å; T537-L539 PolarHBondContact O-N 3.4Å; T537-R540 WeakPolarHBondContact O-CB 3.25Å; T537-R540 PolarHBondContact O-N 3.26Å; T537-T541 PolarHBondContact O-N 3.12Å; T537-T541 PolarHBondContact O-OG1 3.04Å
538P95.6Very high95.8Very high36 Ų3641.4 Ų41.423%0.23421%0.214CC..Hα-helixtrans-63.2-31.8176.824.3-34000113I63 H534 V535 R540 T541 H542I63-P538 HydrophobicContact CD1-CB 4.21Å; H534-P538 WeakPolarHBondContact O-CD 3.42Å; H534-P538 WeakPolarHBondContact O-CG 3.13Å; V535-P538 WeakPolarHBondContact O-CD 3.17Å; V535-P538 WeakPolarHBondContact O-CG 3.49Å; P538-R540 VanDerWaalsContact C-N 3.34Å; P538-T541 WeakPolarHBondContact CA-OG1 3.09Å; P538-T541 PolarHBondContact O-OG1 2.84Å; P538-H542 WeakPolarHBondContact O-CB 3.23Å; P538-H542 PolarHBondContact O-CD2 3.37Å; P538-H542 VanDerWaalsContact O-CD2 3.3Å; P538-H542 PolarHBondContact O-N 2.95Å
539L96.5Very high95.8Very high44 Ų4439.3 Ų39.323%0.2321%0.205CC..Hα-helixtrans-59.8-45.2170.7-75.1175000111.5V535 T537 Y543 F551V535-L539 HydrophobicContact CG1-CD1 3.91Å; V535-L539 HydrophobicContact CG1-CG 4.48Å; V535-L539 WeakPolarHBondContact O-CG 3.12Å; V535-L539 PolarHBondContact O-N 3.39Å; T537-L539 VanDerWaalsContact C-N 3.28Å; T537-L539 PolarHBondContact O-N 3.4Å; L539-Y543 HydrophobicContact CD2-CD2 4.14Å; L539-Y543 HydrophobicContact CD2-CE2 4.42Å; L539-Y543 WeakPolarHBondContact O-CB 3.28Å; L539-Y543 PolarHBondContact O-N 3.17Å; L539-F551 HydrophobicContact CD1-CB 3.71Å; L539-F551 HydrophobicContact CD1-CD1 4.14Å; L539-F551 HydrophobicContact CD1-CD2 4.2Å; L539-F551 HydrophobicContact CD1-CG 3.77Å
540R94.6Very high95.7Very high25 Ų2543.8 Ų43.89%0.09423%0.228CC..Hα-helixtrans-69.1-38.8-179.7179.917860.265.52.3113T62 D66 S413 A536 T537 P538 G544 V545T62-R540 VanDerWaalsContact CG2-NH2 3.3Å; D66-R540 IonicContact OD2-NH2 2.73Å; D66-R540 PolarHBondContact OD2-NH2 2.85Å; D66-R540 VanDerWaalsContact OD2-NH2 3.15Å; S413-R540 VanDerWaalsContact CB-NH1 3.27Å; S413-R540 PolarHBondContact O-NH1 3.06Å; A536-R540 WeakPolarHBondContact O-CB 3.19Å; A536-R540 PolarHBondContact O-N 3.38Å; T537-R540 WeakPolarHBondContact O-CB 3.25Å; T537-R540 PolarHBondContact O-N 3.26Å; P538-R540 VanDerWaalsContact C-N 3.34Å; R540-G544 WeakPolarHBondContact CA-O 3.31Å; R540-G544 CarbonylContact O-C 3.6Å; R540-G544 WeakPolarHBondContact O-CA 3.45Å; R540-G544 PolarHBondContact O-N 2.92Å; R540-G544 VanDerWaalsContact O-N 3.15Å; R540-V545 HydrophobicContact CG-CG2 4.2Å
541T91.4Very high95.7Very high30 Ų3045 Ų4518%0.18423%0.232CC..Hα-helixtrans-76.4-44.5-178.756.10000112.2D59 T62 T537 P538D59-T541 HydrophobicContact CB-CG2 4.23Å; T62-T541 HydrophobicContact CG2-CG2 4.13Å; T537-T541 PolarHBondContact O-N 3.12Å; T537-T541 PolarHBondContact O-OG1 3.04Å; P538-T541 WeakPolarHBondContact CA-OG1 3.09Å; P538-T541 PolarHBondContact O-OG1 2.84Å
542H91.2Very high95.7Very high102 Ų10240.8 Ų40.847%0.47221%0.211SC..Hα-helixtrans-86.2-26.5-175.2-59-44.7000114.5D59 P538D59-H542 IonicContact OD2-CE1 3.06Å; D59-H542 PolarHBondContact OD2-CE1 2.93Å; D59-H542 IonicContact OD2-ND1 2.84Å; D59-H542 PolarHBondContact OD2-ND1 3.26Å; P538-H542 WeakPolarHBondContact O-CB 3.23Å; P538-H542 PolarHBondContact O-CD2 3.37Å; P538-H542 VanDerWaalsContact O-CD2 3.3Å; P538-H542 PolarHBondContact O-N 2.95Å
543Y93.1Very high95.7Very high168 Ų16841.8 Ų41.866%0.65922%0.217SC*.Hα-helixtrans-125.37-176.5-48.9-72.7000114L539 P547L539-Y543 HydrophobicContact CD2-CD2 4.14Å; L539-Y543 HydrophobicContact CD2-CE2 4.42Å; L539-Y543 WeakPolarHBondContact O-CB 3.28Å; L539-Y543 PolarHBondContact O-N 3.17Å; Y543-P547 WeakPolarHBondContact O-CD 3.26Å
544G91.4Very high95.6Very high32 Ų3243.3 Ų43.333%0.3323%0.233SC..  trans80.9174.118000000114.3R540 L546 P547R540-G544 WeakPolarHBondContact CA-O 3.31Å; R540-G544 CarbonylContact O-C 3.6Å; R540-G544 WeakPolarHBondContact O-CA 3.45Å; R540-G544 PolarHBondContact O-N 2.92Å; R540-G544 VanDerWaalsContact O-N 3.15Å; G544-L546 VanDerWaalsContact C-N 3.32Å; G544-L546 PolarHBondContact O-N 3.42Å; G544-P547 WeakPolarHBondContact O-CD 3.33Å
545V93.4Very high95.7Very high15 Ų1541.4 Ų41.49%0.09123%0.225CC..Hα-helixtrans-63.2-33.6-169.5179.30000113.5I414 Y418 L475 R540 G548 N549I414-V545 HydrophobicContact CB-CG1 4.43Å; I414-V545 HydrophobicContact CG1-CG1 4.29Å; I414-V545 HydrophobicContact CG2-CG1 3.96Å; Y418-V545 HydrophobicContact CE2-CB 3.81Å; Y418-V545 HydrophobicContact CE2-CG1 3.88Å; Y418-V545 HydrophobicContact CE2-CG2 3.98Å; L475-V545 HydrophobicContact CD1-CG1 4.27Å; R540-V545 HydrophobicContact CG-CG2 4.2Å; V545-G548 PolarHBondContact O-N 2.98Å; V545-N549 PolarHBondContact O-N 2.97Å
546L95.1Very high95.7Very high62 Ų6238.8 Ų38.833%0.32521%0.209SC..Hα-helixtrans-61.4-53.9-175.2175.170000112.7T472 Y476 G544 G548 N549 L550T472-L546 HydrophobicContact CG2-CD1 3.7Å; Y476-L546 HydrophobicContact CE2-CD1 4.38Å; Y476-L546 WeakPolarHBondContact OH-CB 3.3Å; G544-L546 VanDerWaalsContact C-N 3.32Å; G544-L546 PolarHBondContact O-N 3.42Å; L546-G548 VanDerWaalsContact C-N 3.32Å; L546-G548 PolarHBondContact O-N 2.69Å; L546-N549 PolarHBondContact O-N 3.43Å; L546-L550 HydrophobicContact CD1-CD1 3.76Å; L546-L550 HydrophobicContact CD1-CD2 4.28Å; L546-L550 HydrophobicContact CD1-CG 3.75Å; L546-L550 HydrophobicContact CD2-CD1 4.39Å; L546-L550 HydrophobicContact CG-CD1 3.76Å; L546-L550 HydrophobicContact CG-CG 4.16Å; L546-L550 WeakPolarHBondContact O-CB 3.41Å; L546-L550 VanDerWaalsContact O-CG 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.36Å; L546-L550 PolarHBondContact O-N 3.47Å
547P96.4Very high95.7Very high45 Ų4542.9 Ų42.929%0.29223%0.231SC..Hα-helixtrans-52.6-42.1172.5-33.538.5000115Y543 G544 F551Y543-P547 WeakPolarHBondContact O-CD 3.26Å; G544-P547 WeakPolarHBondContact O-CD 3.33Å; P547-F551 WeakPolarHBondContact O-CB 3.16Å; P547-F551 PolarHBondContact O-N 3.33Å
548G95.9Very high95.7Very high1 Ų146.9 Ų46.91%0.0125%0.251CS..Hα-helixtrans-62.9-47176.800000112.8V545 L546 F551 L552V545-G548 PolarHBondContact O-N 2.98Å; L546-G548 VanDerWaalsContact C-N 3.32Å; L546-G548 PolarHBondContact O-N 2.69Å; G548-F551 WeakPolarHBondContact O-CB 3.41Å; G548-F551 PolarHBondContact O-N 2.82Å; G548-L552 WeakPolarHBondContact O-CG 3.48Å; G548-L552 PolarHBondContact O-N 2.87Å
549N96.8Very high95.8Very high4 Ų445.1 Ų45.12%0.02124%0.24CC..Hα-helixtrans-72.9-32.5179.4-74.94.4000112.9M468 T472 V545 L546 L552 T553M468-N549 HydrophobicContact CE-CB 4.36Å; T472-N549 HydrophobicContact CG2-CB 3.75Å; V545-N549 PolarHBondContact O-N 2.97Å; L546-N549 PolarHBondContact O-N 3.43Å; N549-L552 PolarHBondContact O-N 3.33Å; N549-T553 WeakPolarHBondContact O-CB 3.06Å; N549-T553 PolarHBondContact O-N 3.27Å; N549-T553 PolarHBondContact O-OG1 3.28Å
550L97.3Very high95.9Very high94 Ų9443.6 Ų43.649%0.49223%0.232SC..Hα-helixtrans-67-37.8172.2-74.3178000112.1T472 L546 T553 G554T472-L550 HydrophobicContact CG2-CD2 4.19Å; T472-L550 HydrophobicContact CG2-CG 4.37Å; L546-L550 HydrophobicContact CD1-CD1 3.76Å; L546-L550 HydrophobicContact CD1-CD2 4.28Å; L546-L550 HydrophobicContact CD1-CG 3.75Å; L546-L550 HydrophobicContact CD2-CD1 4.39Å; L546-L550 HydrophobicContact CG-CD1 3.76Å; L546-L550 HydrophobicContact CG-CG 4.16Å; L546-L550 WeakPolarHBondContact O-CB 3.41Å; L546-L550 VanDerWaalsContact O-CG 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.36Å; L546-L550 PolarHBondContact O-N 3.47Å; L550-T553 PolarHBondContact O-N 2.84Å; L550-G554 PolarHBondContact O-N 3.01Å
551F98Very high96Very high52 Ų5246.7 Ų46.723%0.22825%0.25CC..Hα-helixtrans-59.6-49.3172.3163.1-102.4000111.5L532 V535 A536 L539 P547 G548 T553 G554 L555L532-F551 HydrophobicContact CD2-CE1 3.73Å; L532-F551 HydrophobicContact CD2-CZ 3.82Å; V535-F551 HydrophobicContact CB-CE1 3.91Å; V535-F551 HydrophobicContact CB-CE2 4.41Å; V535-F551 HydrophobicContact CB-CZ 3.68Å; V535-F551 HydrophobicContact CG1-CD1 4.36Å; V535-F551 HydrophobicContact CG1-CD2 4.26Å; V535-F551 HydrophobicContact CG1-CE1 3.81Å; V535-F551 HydrophobicContact CG1-CE2 3.68Å; V535-F551 HydrophobicContact CG1-CZ 3.42Å; V535-F551 VanDerWaalsContact CG1-CZ 3.42Å; V535-F551 HydrophobicContact CG2-CZ 4.47Å; A536-F551 HydrophobicContact CB-CD1 4.05Å; A536-F551 HydrophobicContact CB-CE1 4.23Å; L539-F551 HydrophobicContact CD1-CB 3.71Å; L539-F551 HydrophobicContact CD1-CD1 4.14Å; L539-F551 HydrophobicContact CD1-CD2 4.2Å; L539-F551 HydrophobicContact CD1-CG 3.77Å; P547-F551 WeakPolarHBondContact O-CB 3.16Å; P547-F551 PolarHBondContact O-N 3.33Å; G548-F551 WeakPolarHBondContact O-CB 3.41Å; G548-F551 PolarHBondContact O-N 2.82Å; F551-T553 VanDerWaalsContact C-N 3.35Å; F551-T553 PolarHBondContact O-N 3.14Å; F551-G554 PolarHBondContact O-N 2.95Å; F551-L555 HydrophobicContact CD2-CD1 4.14Å; F551-L555 HydrophobicContact CE1-CD1 4.21Å; F551-L555 HydrophobicContact CE2-CD1 3.49Å; F551-L555 VanDerWaalsContact CE2-CD1 3.49Å; F551-L555 HydrophobicContact CE2-CG 4.3Å; F551-L555 HydrophobicContact CZ-CD1 3.53Å; F551-L555 PolarHBondContact O-N 3.45Å
552L97.8Very high96.2Very high1 Ų146.8 Ų46.81%0.00525%0.249CC..Hα-helixtrans-61.6-41175.8-65.5177.5000112.1V403 A406 V407 M468 L532 A536 G548 N549 T556V403-L552 HydrophobicContact CG1-CB 4.23Å; V403-L552 HydrophobicContact CG2-CB 4.45Å; V403-L552 HydrophobicContact CG2-CD2 4.17Å; A406-L552 HydrophobicContact CB-CD1 4.13Å; A406-L552 HydrophobicContact CB-CD2 3.83Å; V407-L552 HydrophobicContact CG2-CD1 4.3Å; M468-L552 HydrophobicContact CE-CB 3.83Å; M468-L552 HydrophobicContact CE-CD1 4.2Å; L532-L552 HydrophobicContact CB-CD2 4.13Å; L532-L552 HydrophobicContact CD2-CD2 4.12Å; A536-L552 HydrophobicContact CB-CD1 4.48Å; A536-L552 HydrophobicContact CB-CD2 4.28Å; A536-L552 HydrophobicContact CB-CG 4.33Å; G548-L552 WeakPolarHBondContact O-CG 3.48Å; G548-L552 PolarHBondContact O-N 2.87Å; N549-L552 PolarHBondContact O-N 3.33Å; L552-T556 WeakPolarHBondContact O-CB 3.46Å; L552-T556 PolarHBondContact O-N 3.29Å; L552-T556 PolarHBondContact O-OG1 2.88Å
553T97.8Very high96.4Very high22 Ų2242 Ų4214%0.13523%0.227CC..Hα-helixtrans-65.4-43.4176.5-56.10000111.8L465 M468 T472 N549 L550 F551 T556 L557L465-T553 HydrophobicContact CD1-CG2 3.97Å; L465-T553 WeakPolarHBondContact CD1-O 3.28Å; M468-T553 WeakPolarHBondContact CG-OG1 3.49Å; T472-T553 PolarHBondContact OG1-OG1 3.15Å; N549-T553 WeakPolarHBondContact O-CB 3.06Å; N549-T553 PolarHBondContact O-N 3.27Å; N549-T553 PolarHBondContact O-OG1 3.28Å; L550-T553 PolarHBondContact O-N 2.84Å; F551-T553 VanDerWaalsContact C-N 3.35Å; F551-T553 PolarHBondContact O-N 3.14Å; T553-T556 CarbonylContact O-C 3.58Å; T553-T556 WeakPolarHBondContact O-CA 3.38Å; T553-T556 WeakPolarHBondContact O-CB 3.47Å; T553-T556 PolarHBondContact O-N 2.83Å; T553-L557 PolarHBondContact O-N 3.06Å
554G97.5Very high96.5Very high33 Ų3337.3 Ų37.334%0.3422%0.215SC..Hα-helixtrans-64.6-39.6179.100000112.9L550 F551 L557 I558L550-G554 PolarHBondContact O-N 3.01Å; F551-G554 PolarHBondContact O-N 2.95Å; G554-L557 WeakPolarHBondContact O-CB 3.29Å; G554-L557 PolarHBondContact O-N 3.29Å; G554-I558 PolarHBondContact O-N 3.3Å; G554-I558 VanDerWaalsContact O-N 3.13Å
555L97.9Very high96.7Very high47 Ų4740.9 Ų40.925%0.24623%0.226CC..Hα-helixtrans-71-34.4172.8-65-178000111.8I399 L532 F551 L557 I558 G559I399-L555 HydrophobicContact CG2-CB 4.25Å; I399-L555 VanDerWaalsContact CG2-O 3.28Å; I399-L555 WeakPolarHBondContact CG2-O 3.36Å; L532-L555 HydrophobicContact CD2-CD1 3.33Å; F551-L555 HydrophobicContact CD2-CD1 4.14Å; F551-L555 HydrophobicContact CE1-CD1 4.21Å; F551-L555 HydrophobicContact CE2-CD1 3.49Å; F551-L555 VanDerWaalsContact CE2-CD1 3.49Å; F551-L555 HydrophobicContact CE2-CG 4.3Å; F551-L555 HydrophobicContact CZ-CD1 3.53Å; F551-L555 PolarHBondContact O-N 3.45Å; L555-L557 PolarHBondContact O-N 3.44Å; L555-I558 HydrophobicContact CD2-CD1 3.89Å; L555-I558 PolarHBondContact O-N 2.84Å; L555-I558 VanDerWaalsContact O-N 3.11Å; L555-G559 PolarHBondContact O-N 3.45Å
556T97.6Very high96.7Very high0 Ų040.4 Ų40.40%022%0.223CC..Hα-helixtrans-58.9-36169.7-52.70000111.6L400 Y461 L465 L552 T553 T560L400-T556 HydrophobicContact CD1-CG2 4Å; Y461-T556 HydrophobicContact CD1-CG2 4.3Å; Y461-T556 HydrophobicContact CE1-CG2 3.73Å; Y461-T556 WeakPolarHBondContact CE1-O 3.31Å; L465-T556 HydrophobicContact CB-CG2 3.91Å; L465-T556 HydrophobicContact CD1-CG2 3.97Å; L552-T556 WeakPolarHBondContact O-CB 3.46Å; L552-T556 PolarHBondContact O-N 3.29Å; L552-T556 PolarHBondContact O-OG1 2.88Å; T553-T556 CarbonylContact O-C 3.58Å; T553-T556 WeakPolarHBondContact O-CA 3.38Å; T553-T556 WeakPolarHBondContact O-CB 3.47Å; T553-T556 PolarHBondContact O-N 2.83Å; T556-T560 PolarHBondContact O-N 3.06Å; T556-T560 PolarHBondContact O-OG1 2.91Å
557L97.9Very high96.4Very high87 Ų8744.3 Ų44.346%0.45524%0.238SC..Hα-helixtrans-65.9-43.7172.2173.662.8000112.2L465 T553 G554 L555 G559 T560 I561L465-L557 HydrophobicContact CD1-CB 4.08Å; L465-L557 HydrophobicContact CD2-CB 4.17Å; L465-L557 HydrophobicContact CD2-CD1 3.84Å; T553-L557 PolarHBondContact O-N 3.06Å; G554-L557 WeakPolarHBondContact O-CB 3.29Å; G554-L557 PolarHBondContact O-N 3.29Å; L555-L557 PolarHBondContact O-N 3.44Å; L557-G559 PolarHBondContact O-N 3.28Å; L557-T560 WeakPolarHBondContact O-CB 3.29Å; L557-T560 PolarHBondContact O-N 3.33Å; L557-I561 HydrophobicContact CD1-CD1 4.27Å; L557-I561 HydrophobicContact CD1-CG1 4.47Å; L557-I561 HydrophobicContact CG-CD1 4.26Å; L557-I561 WeakPolarHBondContact O-CG1 3.49Å; L557-I561 PolarHBondContact O-N 2.82Å
558I97.7Very high95.5Very high84 Ų8445.6 Ų45.643%0.43124%0.24SC..Hα-helixtrans-59.5-47.7175.3-64.5-176.9000110.8G554 L555 T560 I561 M562G554-I558 PolarHBondContact O-N 3.3Å; G554-I558 VanDerWaalsContact O-N 3.13Å; L555-I558 HydrophobicContact CD2-CD1 3.89Å; L555-I558 PolarHBondContact O-N 2.84Å; L555-I558 VanDerWaalsContact O-N 3.11Å; I558-T560 VanDerWaalsContact C-N 3.29Å; I558-T560 PolarHBondContact O-N 3.29Å; I558-I561 WeakPolarHBondContact O-CB 3.46Å; I558-I561 PolarHBondContact O-N 3.25Å; I558-I561 VanDerWaalsContact O-N 3.13Å; I558-M562 HydrophobicContact CG2-CG 4.4Å; I558-M562 HydrophobicContact CG2-SD 4.11Å; I558-M562 WeakPolarHBondContact O-CG 3.25Å; I558-M562 PolarHBondContact O-N 2.95Å
559G97.4Very high94.6Very high0 Ų048.5 Ų48.50%026%0.255CS..Hα-helixtrans-65.8-28.717800000114S396 Y461 L555 L557 T563S396-G559 WeakPolarHBondContact CB-O 3.35Å; Y461-G559 WeakPolarHBondContact CE2-O 3.37Å; Y461-G559 WeakPolarHBondContact OH-CA 3.34Å; L555-G559 PolarHBondContact O-N 3.45Å; L557-G559 PolarHBondContact O-N 3.28Å; G559-T563 WeakPolarHBondContact O-CB 3.48Å; G559-T563 PolarHBondContact O-N 3.34Å; G559-T563 PolarHBondContact O-OG1 3.33Å
560T96.9Very high93.7Very high11 Ų1149.1 Ų49.17%0.06726%0.258CS..Hα-helixtrans-62.2-49169-57.20000110.5Y461 I462 T556 L557 I558 M562 T563 V564Y461-T560 WeakPolarHBondContact CD1-OG1 3.35Å; I462-T560 HydrophobicContact CG1-CG2 3.62Å; T556-T560 PolarHBondContact O-N 3.06Å; T556-T560 PolarHBondContact O-OG1 2.91Å; L557-T560 WeakPolarHBondContact O-CB 3.29Å; L557-T560 PolarHBondContact O-N 3.33Å; I558-T560 VanDerWaalsContact C-N 3.29Å; I558-T560 PolarHBondContact O-N 3.29Å; T560-M562 PolarHBondContact O-N 2.75Å; T560-T563 WeakPolarHBondContact O-CB 3.4Å; T560-T563 PolarHBondContact O-N 2.95Å; T560-V564 WeakPolarHBondContact O-CG2 3.29Å; T560-V564 PolarHBondContact O-N 3.02Å
561I97.2Very high92.7Very high90 Ų9047.9 Ų47.946%0.46225%0.248SC..Hα-helixtrans-60.6-47.1178.3-65.4163.1000110.4L557 I558 T563 V564 L565L557-I561 HydrophobicContact CD1-CD1 4.27Å; L557-I561 HydrophobicContact CD1-CG1 4.47Å; L557-I561 HydrophobicContact CG-CD1 4.26Å; L557-I561 WeakPolarHBondContact O-CG1 3.49Å; L557-I561 PolarHBondContact O-N 2.82Å; I558-I561 WeakPolarHBondContact O-CB 3.46Å; I558-I561 PolarHBondContact O-N 3.25Å; I558-I561 VanDerWaalsContact O-N 3.13Å; I561-T563 VanDerWaalsContact C-N 3.3Å; I561-T563 PolarHBondContact O-N 2.95Å; I561-V564 PolarHBondContact O-N 3Å; I561-L565 HydrophobicContact CG2-CD1 4.01Å; I561-L565 WeakPolarHBondContact O-CG 3.36Å; I561-L565 PolarHBondContact O-N 3.4Å; I561-L565 VanDerWaalsContact O-N 3.08Å
562M95.8Very high91.6Very high33 Ų3349.3 Ų49.316%0.16325%0.251CS..Hα-helixtrans-60.5-39.2177.7-66.3-175.975.700112.4L392 I395 I558 T560 L565 I566L392-M562 HydrophobicContact CD2-CB 4.39Å; L392-M562 HydrophobicContact CD2-CE 3.67Å; I395-M562 HydrophobicContact CB-CE 3.63Å; I395-M562 HydrophobicContact CB-SD 4.26Å; I395-M562 HydrophobicContact CD1-CE 3.81Å; I395-M562 HydrophobicContact CG1-CE 4.31Å; I395-M562 HydrophobicContact CG2-CE 3.53Å; I395-M562 HydrophobicContact CG2-SD 3.57Å; I395-M562 VanDerWaalsContact CG2-SD 3.57Å; I558-M562 HydrophobicContact CG2-CG 4.4Å; I558-M562 HydrophobicContact CG2-SD 4.11Å; I558-M562 WeakPolarHBondContact O-CG 3.25Å; I558-M562 PolarHBondContact O-N 2.95Å; T560-M562 PolarHBondContact O-N 2.75Å; M562-L565 PolarHBondContact O-N 3.49Å; M562-I566 PolarHBondContact O-N 2.83Å
563T94.9Very high90.5Very high2 Ų251.8 Ų51.81%0.01226%0.263CS..Hα-helixtrans-63.2-43.6175.4-64.40000112S396 T457 Y461 Y497 G559 T560 I561 L565 I566S396-T563 WeakPolarHBondContact CB-OG1 3.39Å; S396-T563 PolarHBondContact OG-OG1 3.4Å; T457-T563 HydrophobicContact CG2-CG2 3.67Å; Y461-T563 HydrophobicContact CD2-CG2 4.21Å; Y461-T563 WeakPolarHBondContact CD2-OG1 3.42Å; Y461-T563 WeakPolarHBondContact CE2-OG1 3.36Å; Y497-T563 HydrophobicContact CE2-CG2 4.28Å; Y497-T563 PolarHBondContact OH-OG1 2.95Å; Y497-T563 VanDerWaalsContact OH-OG1 3.09Å; G559-T563 WeakPolarHBondContact O-CB 3.48Å; G559-T563 PolarHBondContact O-N 3.34Å; G559-T563 PolarHBondContact O-OG1 3.33Å; T560-T563 WeakPolarHBondContact O-CB 3.4Å; T560-T563 PolarHBondContact O-N 2.95Å; I561-T563 VanDerWaalsContact C-N 3.3Å; I561-T563 PolarHBondContact O-N 2.95Å; T563-L565 PolarHBondContact O-N 2.81Å; T563-I566 WeakPolarHBondContact O-CB 3.47Å; T563-I566 PolarHBondContact O-N 2.87Å
564V95.4Very high89.6Confident69 Ų6954.5 Ų54.542%0.41827%0.274SS..Hα-helixtrans-63.8-29.9176.4172.50000111.9K454 C458 T560 I561K454-V564 WeakPolarHBondContact CE-O 3.42Å; K454-V564 PolarHBondContact NZ-O 3.27Å; C458-V564 HydrophobicContact CB-CG2 4.45Å; T560-V564 WeakPolarHBondContact O-CG2 3.29Å; T560-V564 PolarHBondContact O-N 3.02Å; I561-V564 PolarHBondContact O-N 3Å
565L95.4Very high88.5Confident107 Ų10754.5 Ų54.556%0.5627%0.271SS*.Hα-helixtrans-79.2-12.1178.2-68171.4000114.6L392 I561 M562 T563 K567L392-L565 HydrophobicContact CD1-CB 4.08Å; I561-L565 HydrophobicContact CG2-CD1 4.01Å; I561-L565 WeakPolarHBondContact O-CG 3.36Å; I561-L565 PolarHBondContact O-N 3.4Å; I561-L565 VanDerWaalsContact O-N 3.08Å; M562-L565 PolarHBondContact O-N 3.49Å; T563-L565 PolarHBondContact O-N 2.81Å; L565-K567 PolarHBondContact O-N 2.89Å
566I93.5Very high87.4Confident4 Ų457.4 Ų57.42%0.02128%0.283CS..  trans-58.5127174.3-64.3170.2000109.6P389 L392 L393 K454 L504 L508 M562 T563P389-I566 HydrophobicContact CB-CG2 4.26Å; L392-I566 HydrophobicContact CB-CG1 3.83Å; L392-I566 HydrophobicContact CD1-CG1 4.47Å; L393-I566 HydrophobicContact CB-CD1 3.93Å; L393-I566 HydrophobicContact CD1-CD1 4.09Å; K454-I566 WeakPolarHBondContact CD-O 3.07Å; K454-I566 WeakPolarHBondContact CE-O 3.39Å; K454-I566 PolarHBondContact NZ-O 3.46Å; L504-I566 HydrophobicContact CD2-CD1 4.48Å; L508-I566 HydrophobicContact CD1-CG2 3.94Å; M562-I566 PolarHBondContact O-N 2.83Å; T563-I566 WeakPolarHBondContact O-CB 3.47Å; T563-I566 PolarHBondContact O-N 2.87Å
567K88.5Confident86.5Confident145 Ų14562.3 Ų62.363%0.6331%0.306SS*.  trans-81.2130.9171.7-67.8-173176.8-176.10109.7P389 L565 N569P389-K567 HydrophobicContact CG-CB 4.25Å; L565-K567 PolarHBondContact O-N 2.89Å; K567-N569 VanDerWaalsContact C-N 3.25Å; K567-N569 PolarHBondContact O-N 3.35Å
568E79.5Confident85.5Confident71 Ų7166.5 Ų66.533%0.33232%0.316SS..  trans-82.664.2-175.6-166.1165.5-148.700111.8F453 K454 L570F453-E568 PolarHBondContact N-OE1 3.42Å; K454-E568 HydrophobicContact CB-CB 4.06Å; K454-E568 HydrophobicContact CB-CG 3.97Å; K454-E568 WeakPolarHBondContact CB-OE1 3.38Å; K454-E568 VanDerWaalsContact CB-OE2 3.31Å; K454-E568 WeakPolarHBondContact CB-OE2 3.49Å; K454-E568 HydrophobicContact CD-CB 4.19Å; K454-E568 PolarHBondContact N-OE1 3.36Å; E568-L570 HydrophobicContact CG-CD1 4.1Å; E568-L570 HydrophobicContact CG-CD2 3.75Å; E568-L570 HydrophobicContact CG-CG 3.83Å; E568-L570 PolarHBondContact O-N 2.84Å
569N76.4Confident84.4Confident63 Ų6365.7 Ų65.734%0.33731%0.311SS..  trans-90.387.9172.4-72.89.1000109.1K567 Y571K567-N569 VanDerWaalsContact C-N 3.25Å; K567-N569 PolarHBondContact O-N 3.35Å; N569-Y571 VanDerWaalsContact C-N 3.34Å; N569-Y571 HydrophobicContact CB-CD2 4.11Å; N569-Y571 HydrophobicContact CB-CE1 4.4Å; N569-Y571 HydrophobicContact CB-CE2 3.53Å; N569-Y571 PolarHBondContact ND2-OH 3.35Å; N569-Y571 VanDerWaalsContact ND2-OH 3.11Å; N569-Y571 WeakPolarHBondContact O-CD2 3.5Å; N569-Y571 PolarHBondContact O-N 3.38Å
570L78.1Confident83.4Confident17 Ų1769.7 Ų69.79%0.08933%0.332CS..  trans-79.579-177.9-52.4-179.8000110.5F453 E507 E568 R572 Q573 Q574F453-L570 HydrophobicContact CB-CD2 4.09Å; F453-L570 HydrophobicContact CD2-CD1 4.09Å; F453-L570 HydrophobicContact CD2-CD2 4.22Å; F453-L570 HydrophobicContact CG-CD2 4.2Å; E507-L570 HydrophobicContact CG-CB 3.81Å; E507-L570 HydrophobicContact CG-CD2 3.56Å; E507-L570 HydrophobicContact CG-CG 4.22Å; E568-L570 HydrophobicContact CG-CD1 4.1Å; E568-L570 HydrophobicContact CG-CD2 3.75Å; E568-L570 HydrophobicContact CG-CG 3.83Å; E568-L570 PolarHBondContact O-N 2.84Å; L570-R572 PolarHBondContact O-N 3.46Å; L570-Q573 HydrophobicContact CB-CB 4.13Å; L570-Q573 HydrophobicContact CB-CG 4.45Å; L570-Q573 PolarHBondContact O-N 2.9Å; L570-Q574 WeakPolarHBondContact O-CB 3.28Å; L570-Q574 VanDerWaalsContact O-CG 3.25Å; L570-Q574 WeakPolarHBondContact O-CG 3.49Å; L570-Q574 PolarHBondContact O-N 2.85Å
571Y76Confident82.5Confident68 Ų6875.1 Ų75.127%0.26736%0.355SS..Hα-helixtrans-65.1-33.8-167.5-72.3-76000113.6E507 L508 N569 A575E507-Y571 PolarHBondContact O-N 2.96Å; L508-Y571 WeakPolarHBondContact O-CD2 3.46Å; N569-Y571 VanDerWaalsContact C-N 3.34Å; N569-Y571 HydrophobicContact CB-CD2 4.11Å; N569-Y571 HydrophobicContact CB-CE1 4.4Å; N569-Y571 HydrophobicContact CB-CE2 3.53Å; N569-Y571 PolarHBondContact ND2-OH 3.35Å; N569-Y571 VanDerWaalsContact ND2-OH 3.11Å; N569-Y571 WeakPolarHBondContact O-CD2 3.5Å; N569-Y571 PolarHBondContact O-N 3.38Å; Y571-A575 WeakPolarHBondContact O-CB 3.34Å; Y571-A575 PolarHBondContact O-N 3.17Å
572R74.4Confident81.5Confident81 Ų8175.1 Ų75.131%0.30636%0.355SS..Hα-helixtrans-74.1-40.4179.3177.3-175.862.5175-3.9111.1E507 Y510 L570 A575 H576E507-R572 WeakPolarHBondContact OE1-CA 3.44Å; E507-R572 VanDerWaalsContact OE1-CB 3.31Å; E507-R572 WeakPolarHBondContact OE1-CB 3.45Å; E507-R572 PolarHBondContact OE1-N 2.99Å; E507-R572 IonicContact OE2-CZ 3.97Å; E507-R572 VanDerWaalsContact OE2-CZ 3.22Å; E507-R572 IonicContact OE2-NE 3.08Å; E507-R572 PolarHBondContact OE2-NE 3.47Å; E507-R572 IonicContact OE2-NH2 2.69Å; E507-R572 PolarHBondContact OE2-NH2 3.12Å; Y510-R572 HydrophobicContact CD1-CB 4.41Å; Y510-R572 HydrophobicContact CD2-CB 3.85Å; Y510-R572 HydrophobicContact CD2-CG 3.93Å; Y510-R572 HydrophobicContact CE2-CG 4.27Å; Y510-R572 HydrophobicContact CG-CB 3.77Å; Y510-R572 HydrophobicContact CG-CG 4.34Å; L570-R572 PolarHBondContact O-N 3.46Å; R572-A575 PolarHBondContact O-N 3.07Å; R572-H576 PolarHBondContact O-N 3.22Å
573Q74.8Confident80.5Confident53 Ų5376.8 Ų76.825%0.24836%0.364CS..Hα-helixtrans-63.3-45.7171.2-72.8-178.226.300111.6E507 L570 A575 H576 E577E507-Q573 PolarHBondContact OE1-N 2.95Å; L570-Q573 HydrophobicContact CB-CB 4.13Å; L570-Q573 HydrophobicContact CB-CG 4.45Å; L570-Q573 PolarHBondContact O-N 2.9Å; Q573-A575 VanDerWaalsContact C-N 3.28Å; Q573-A575 PolarHBondContact O-N 2.96Å; Q573-H576 PolarHBondContact O-N 3.33Å; Q573-H576 VanDerWaalsContact O-N 3.15Å; Q573-E577 PolarHBondContact O-N 3.4Å
574Q78.1Confident79.7Confident79 Ų7980.5 Ų80.537%0.36939%0.387SS..Hα-helixtrans-61.1-36.4176.4-71.7174.417.300112L570 R578L570-Q574 WeakPolarHBondContact O-CB 3.28Å; L570-Q574 VanDerWaalsContact O-CG 3.25Å; L570-Q574 WeakPolarHBondContact O-CG 3.49Å; L570-Q574 PolarHBondContact O-N 2.85Å; Q574-R578 WeakPolarHBondContact O-CB 3.2Å; Q574-R578 WeakPolarHBondContact O-CG 3.34Å; Q574-R578 PolarHBondContact O-N 3.05Å; Q574-R578 VanDerWaalsContact O-N 3.09Å
575A75.4Confident78.7Confident33 Ų3384.3 Ų84.327%0.27340%0.398SS..Hα-helixtrans-66-45.8172.200000112.2Y510 Y571 R572 Q573 R578 M579Y510-A575 HydrophobicContact CD1-CB 4.35Å; Y510-A575 HydrophobicContact CE1-CB 3.84Å; Y571-A575 WeakPolarHBondContact O-CB 3.34Å; Y571-A575 PolarHBondContact O-N 3.17Å; R572-A575 PolarHBondContact O-N 3.07Å; Q573-A575 VanDerWaalsContact C-N 3.28Å; Q573-A575 PolarHBondContact O-N 2.96Å; A575-R578 PolarHBondContact O-N 3.44Å; A575-M579 WeakPolarHBondContact O-CB 3.49Å; A575-M579 PolarHBondContact O-N 3.27Å
576H75.7Confident77.5Confident108 Ų10882 Ų8250%0.538%0.384SS..Hα-helixtrans-62.4-43176.3-109.450.3000112.8R572 Q573 R578 M579 N580R572-H576 PolarHBondContact O-N 3.22Å; Q573-H576 PolarHBondContact O-N 3.33Å; Q573-H576 VanDerWaalsContact O-N 3.15Å; H576-R578 PolarHBondContact O-N 3.11Å; H576-M579 PolarHBondContact O-N 3.06Å; H576-N580 WeakPolarHBondContact O-CB 3.26Å; H576-N580 VanDerWaalsContact O-CG 3.25Å; H576-N580 PolarHBondContact O-N 2.94Å
577E76.7Confident76.6Confident104 Ų10486.2 Ų86.249%0.48641%0.406SS..Hα-helixtrans-61.3-43.2174.6-85-162.1-151.600112.4Q573 N580 K581Q573-E577 PolarHBondContact O-N 3.4Å; E577-N580 PolarHBondContact O-N 3.37Å; E577-K581 VanDerWaalsContact O-CB 3.31Å; E577-K581 WeakPolarHBondContact O-CB 3.47Å; E577-K581 WeakPolarHBondContact O-CD 3.4Å; E577-K581 WeakPolarHBondContact O-CG 3.41Å; E577-K581 PolarHBondContact O-N 3.17Å; E577-K581 IonicContact OE2-NZ 3.15Å; E577-K581 PolarHBondContact OE2-NZ 2.84Å
578R78Confident75.9Confident175 Ų17583.2 Ų83.266%0.6640%0.397SS*.Hα-helixtrans-62.8-46.5176.9-74.7171.7-175.5-161.72.8110.9Q574 A575 H576 N580 K581 L582Q574-R578 WeakPolarHBondContact O-CB 3.2Å; Q574-R578 WeakPolarHBondContact O-CG 3.34Å; Q574-R578 PolarHBondContact O-N 3.05Å; Q574-R578 VanDerWaalsContact O-N 3.09Å; A575-R578 PolarHBondContact O-N 3.44Å; H576-R578 PolarHBondContact O-N 3.11Å; R578-N580 PolarHBondContact O-N 3.16Å; R578-K581 PolarHBondContact O-N 3.29Å; R578-L582 WeakPolarHBondContact O-CG 3.29Å; R578-L582 PolarHBondContact O-N 2.9Å
579M75.4Confident75.6Confident66 Ų6685.8 Ų85.833%0.32541%0.407SS..Hα-helixtrans-59.9-45177.3-171.5176.771.300111.9A575 H576 L582 L583A575-M579 WeakPolarHBondContact O-CB 3.49Å; A575-M579 PolarHBondContact O-N 3.27Å; H576-M579 PolarHBondContact O-N 3.06Å; M579-L582 PolarHBondContact O-N 3.1Å; M579-L583 HydrophobicContact CG-CD1 4.26Å; M579-L583 PolarHBondContact O-N 2.99Å
580N75.3Confident75.3Confident84 Ų8486 Ų8645%0.44941%0.408SS..Hα-helixtrans-64.9-40.8176.1-70.4-10.7000112H576 E577 R578 L582 L583 T584H576-N580 WeakPolarHBondContact O-CB 3.26Å; H576-N580 VanDerWaalsContact O-CG 3.25Å; H576-N580 PolarHBondContact O-N 2.94Å; E577-N580 PolarHBondContact O-N 3.37Å; R578-N580 PolarHBondContact O-N 3.16Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.42Å; N580-L583 PolarHBondContact O-N 3.39Å; N580-T584 PolarHBondContact O-N 3.26Å; N580-T584 PolarHBondContact O-OG1 3.47Å; N580-T584 VanDerWaalsContact O-OG1 3.09Å
581K77.4Confident74.9Confident125 Ų12589.7 Ų89.754%0.54343%0.428SS..Hα-helixtrans-65.6-31.6176.6-75.6163179.5164.50112.7E577 R578 K585E577-K581 VanDerWaalsContact O-CB 3.31Å; E577-K581 WeakPolarHBondContact O-CB 3.47Å; E577-K581 WeakPolarHBondContact O-CD 3.4Å; E577-K581 WeakPolarHBondContact O-CG 3.41Å; E577-K581 PolarHBondContact O-N 3.17Å; E577-K581 IonicContact OE2-NZ 3.15Å; E577-K581 PolarHBondContact OE2-NZ 2.84Å; R578-K581 PolarHBondContact O-N 3.29Å; K581-K585 WeakPolarHBondContact O-CG 3.41Å; K581-K585 PolarHBondContact O-N 2.8Å
582L77.7Confident74.6Confident91 Ų9191.4 Ų91.448%0.47644%0.442SS..Hα-helixtrans-69.7-52.8170.8-69.2168.7000110.8R578 M579 N580 T584 K585 E586R578-L582 WeakPolarHBondContact O-CG 3.29Å; R578-L582 PolarHBondContact O-N 2.9Å; M579-L582 PolarHBondContact O-N 3.1Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.42Å; L582-T584 VanDerWaalsContact C-N 3.29Å; L582-T584 PolarHBondContact O-N 2.95Å; L582-K585 WeakPolarHBondContact O-CA 3.3Å; L582-K585 WeakPolarHBondContact O-CB 3.38Å; L582-K585 PolarHBondContact O-N 2.83Å; L582-E586 PolarHBondContact O-N 3.26Å
583L75Confident74Confident67 Ų6789.2 Ų89.235%0.35144%0.444SS..Hα-helixtrans-53.7-41.9176.6-77.9161.5000113.1I360 M579 N580 E586 I587I360-L583 HydrophobicContact CG2-CD2 3.83Å; M579-L583 HydrophobicContact CG-CD1 4.26Å; M579-L583 PolarHBondContact O-N 2.99Å; N580-L583 PolarHBondContact O-N 3.39Å; L583-E586 PolarHBondContact O-N 3.03Å; L583-I587 WeakPolarHBondContact O-CD1 3.38Å; L583-I587 VanDerWaalsContact O-CG1 3.27Å; L583-I587 WeakPolarHBondContact O-CG1 3.19Å; L583-I587 PolarHBondContact O-N 2.83Å
584T76.4Confident73.2Confident81 Ų8192.6 Ų92.650%0.49746%0.46SS..Hα-helixtrans-69.7-32175.4-570000112.9N580 L582 N588N580-T584 PolarHBondContact O-N 3.26Å; N580-T584 PolarHBondContact O-OG1 3.47Å; N580-T584 VanDerWaalsContact O-OG1 3.09Å; L582-T584 VanDerWaalsContact C-N 3.29Å; L582-T584 PolarHBondContact O-N 2.95Å; T584-N588 WeakPolarHBondContact O-CB 3.41Å; T584-N588 PolarHBondContact O-N 3Å; T584-N588 PolarHBondContact O-ND2 3.41Å
585K75.8Confident72.1Confident149 Ų14994.9 Ų94.965%0.64847%0.47SS*.Hα-helixtrans-66-45.6171.5-85.4-174.6168.5-162.40111.5K581 L582 N588 K589K581-K585 WeakPolarHBondContact O-CG 3.41Å; K581-K585 PolarHBondContact O-N 2.8Å; L582-K585 WeakPolarHBondContact O-CA 3.3Å; L582-K585 WeakPolarHBondContact O-CB 3.38Å; L582-K585 PolarHBondContact O-N 2.83Å; K585-N588 PolarHBondContact O-N 3.17Å; K585-K589 WeakPolarHBondContact O-CB 3.39Å; K585-K589 PolarHBondContact O-N 3.06Å
586E70Confident71.2Confident57 Ų5798.4 Ų98.427%0.26649%0.485SS..Hα-helixtrans-57.6-53.7177.5-126.275.8-114.800111.1I360 L582 L583 N588 K589 D590I360-E586 HydrophobicContact CD1-CB 4.48Å; I360-E586 HydrophobicContact CD1-CG 3.59Å; L582-E586 PolarHBondContact O-N 3.26Å; L583-E586 PolarHBondContact O-N 3.03Å; E586-N588 PolarHBondContact O-N 3.43Å; E586-K589 WeakPolarHBondContact O-CA 3.13Å; E586-K589 WeakPolarHBondContact O-CB 3.47Å; E586-K589 PolarHBondContact O-N 2.77Å; E586-D590 PolarHBondContact O-N 2.72Å
587I74.7Confident70.2Confident93 Ų9399.7 Ų99.748%0.47749%0.491SS..Hα-helixtrans-58.4-38.4-179.6-68.2164.3000111.3L583 L591L583-I587 WeakPolarHBondContact O-CD1 3.38Å; L583-I587 VanDerWaalsContact O-CG1 3.27Å; L583-I587 WeakPolarHBondContact O-CG1 3.19Å; L583-I587 PolarHBondContact O-N 2.83Å; I587-L591 HydrophobicContact CG2-CD1 3.9Å; I587-L591 HydrophobicContact CG2-CG 4.5Å; I587-L591 WeakPolarHBondContact O-CB 3.37Å; I587-L591 WeakPolarHBondContact O-CD1 3.43Å; I587-L591 WeakPolarHBondContact O-CG 3.45Å; I587-L591 PolarHBondContact O-N 3.21Å
588N73.3Confident69.1Low83 Ų83102.8 Ų102.844%0.44450%0.503SS..Hα-helixtrans-73.1-28.4176.3-70.2-10.4000113.1T584 K585 E586 N592T584-N588 WeakPolarHBondContact O-CB 3.41Å; T584-N588 PolarHBondContact O-N 3Å; T584-N588 PolarHBondContact O-ND2 3.41Å; K585-N588 PolarHBondContact O-N 3.17Å; E586-N588 PolarHBondContact O-N 3.43Å; N588-N592 WeakPolarHBondContact O-CB 3.33Å; N588-N592 PolarHBondContact O-N 2.88Å; N588-N592 VanDerWaalsContact O-N 3.1Å; N588-N592 PolarHBondContact O-ND2 3.15Å
589K73.3Confident68Low124 Ų124100.1 Ų100.154%0.53950%0.502SS..Hα-helixtrans-69.8-46.3173.8-172.5-178.1175.7-172.50110.1K585 E586 N592 G593K585-K589 WeakPolarHBondContact O-CB 3.39Å; K585-K589 PolarHBondContact O-N 3.06Å; E586-K589 WeakPolarHBondContact O-CA 3.13Å; E586-K589 WeakPolarHBondContact O-CB 3.47Å; E586-K589 PolarHBondContact O-N 2.77Å; K589-N592 PolarHBondContact O-N 3.12Å; K589-G593 PolarHBondContact O-N 3.03Å
590D69.9Low66.9Low68 Ų68105.6 Ų105.636%0.36453%0.527SS..Hα-helixtrans-60.9-47.4175.6-67.2-14.2000111.7E586 N592 G593 Q594E586-D590 PolarHBondContact O-N 2.72Å; D590-N592 PolarHBondContact O-N 2.82Å; D590-G593 PolarHBondContact O-N 3.44Å; D590-Q594 WeakPolarHBondContact O-CG 3.49Å; D590-Q594 PolarHBondContact O-N 3.3Å
591L69.6Low65.3Low94 Ų94108.2 Ų108.249%0.49255%0.551SS.*Hα-helixtrans-62.2-42.4178.4-75.4169000112.4I587 H595I587-L591 HydrophobicContact CG2-CD1 3.9Å; I587-L591 HydrophobicContact CG2-CG 4.5Å; I587-L591 WeakPolarHBondContact O-CB 3.37Å; I587-L591 WeakPolarHBondContact O-CD1 3.43Å; I587-L591 WeakPolarHBondContact O-CG 3.45Å; I587-L591 PolarHBondContact O-N 3.21Å; L591-H595 WeakPolarHBondContact O-CB 3.12Å; L591-H595 PolarHBondContact O-N 3.26Å
592N69.4Low64.7Low105 Ų105107.4 Ų107.456%0.56155%0.552SS**Hα-helixtrans-70.8-33.7177-72.8-16.5000112.3N588 K589 D590 H595 N596N588-N592 WeakPolarHBondContact O-CB 3.33Å; N588-N592 PolarHBondContact O-N 2.88Å; N588-N592 VanDerWaalsContact O-N 3.1Å; N588-N592 PolarHBondContact O-ND2 3.15Å; K589-N592 PolarHBondContact O-N 3.12Å; D590-N592 PolarHBondContact O-N 2.82Å; N592-H595 PolarHBondContact O-N 3Å; N592-N596 PolarHBondContact O-N 3.21Å
593G62Low64Low35 Ų35108.2 Ų108.236%0.36156%0.556SS.*Hα-helixtrans-60.1-53.7172.100000111.4K589 D590 H595 N596 E597K589-G593 PolarHBondContact O-N 3.03Å; D590-G593 PolarHBondContact O-N 3.44Å; G593-H595 PolarHBondContact O-N 2.9Å; G593-N596 PolarHBondContact O-N 3.25Å; G593-N596 VanDerWaalsContact O-N 3.07Å; G593-E597 PolarHBondContact O-N 3.27Å
594Q57.3Low63.4Low123 Ų123110.5 Ų110.558%0.57557%0.567SS**Hα-helixtrans-59.8-34.3176.1-71.3179.11.100112.5D590 N596 F598D590-Q594 WeakPolarHBondContact O-CG 3.49Å; D590-Q594 PolarHBondContact O-N 3.3Å; Q594-N596 VanDerWaalsContact C-N 3.35Å; Q594-F598 WeakPolarHBondContact O-CB 3.34Å; Q594-F598 PolarHBondContact O-N 3.24Å; Q594-F598 VanDerWaalsContact O-N 3.07Å
595H56.6Low62.7Low127 Ų127112.2 Ų112.259%0.58857%0.571SS**Hα-helixtrans-73.9-25177.9-152.143.2000113.2L591 N592 G593 N599L591-H595 WeakPolarHBondContact O-CB 3.12Å; L591-H595 PolarHBondContact O-N 3.26Å; N592-H595 PolarHBondContact O-N 3Å; G593-H595 PolarHBondContact O-N 2.9Å; H595-N599 PolarHBondContact O-ND2 2.86Å
596N55.8Low61.9Low107 Ų107109.9 Ų109.957%0.57257%0.567SS**Hα-helixtrans-76.4-44.8170.3-71.3-9.7000111.2N592 G593 Q594 F598 N599 E600N592-N596 PolarHBondContact O-N 3.21Å; G593-N596 PolarHBondContact O-N 3.25Å; G593-N596 VanDerWaalsContact O-N 3.07Å; Q594-N596 VanDerWaalsContact C-N 3.35Å; N596-F598 PolarHBondContact O-N 3.08Å; N596-N599 PolarHBondContact O-N 3.41Å; N596-E600 PolarHBondContact O-N 3Å; N596-E600 VanDerWaalsContact O-N 3.08Å
597E54.7Low61.3Low136 Ų136113.5 Ų113.564%0.63659%0.587SS**Hα-helixtrans-54.9-41174.7-70-177.6141.700111.6G593 N599 E600 S601G593-E597 PolarHBondContact O-N 3.27Å; E597-N599 PolarHBondContact O-N 2.99Å; E597-E600 PolarHBondContact O-N 2.6Å; E597-S601 PolarHBondContact O-N 3.39Å; E597-S601 PolarHBondContact O-OG 3.08Å
598F53.8Low60.4Low168 Ų168114.9 Ų114.974%0.73759%0.594SS**Hα-helixtrans-72.5-4.1177.1-129.8-81.9000115.2Q594 N596Q594-F598 WeakPolarHBondContact O-CB 3.34Å; Q594-F598 PolarHBondContact O-N 3.24Å; Q594-F598 VanDerWaalsContact O-N 3.07Å; N596-F598 PolarHBondContact O-N 3.08Å
599N54.3Low59.4Low120 Ų120117.4 Ų117.464%0.64261%0.606SS**Hα-helixtrans-111.9-10.9173.4-78.6-71.9000112.7H595 N596 E597H595-N599 PolarHBondContact O-ND2 2.86Å; N596-N599 PolarHBondContact O-N 3.41Å; E597-N599 PolarHBondContact O-N 2.99Å
600E52.4Low58.2Low181 Ų181116.8 Ų116.885%0.84661%0.611SS**Hα-helixtrans-97.8-4.1172-65.6-171.3158.300112.8N596 E597N596-E600 PolarHBondContact O-N 3Å; N596-E600 VanDerWaalsContact O-N 3.08Å; E597-E600 PolarHBondContact O-N 2.6Å
601S42.7Very low57.1Low138 Ų138121.3 Ų121.397%0.96563%0.634SS**  trans-101.9017771.30000114.2E597E597-S601 PolarHBondContact O-N 3.39Å; E597-S601 PolarHBondContact O-OG 3.08Å

Retrieved 601 of 601 residues in 771.4 ms (Link to these results)

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