A0A077ZHV2_TRITR Loading...

HTH 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHV2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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
1M63.7Low89.6Confident95 Ų9573.1 Ų73.147%0.46837%0.372SS..  0-68.20-153.8175.5-7200114.3I53 E119M1-I53 HydrophobicContact CE-CB 4.41Å; M1-I53 HydrophobicContact CE-CD1 3.27Å; M1-I53 HydrophobicContact CE-CG1 4.39Å; M1-I53 HydrophobicContact CE-CG2 4.25Å; M1-I53 HydrophobicContact SD-CB 4.28Å; M1-I53 HydrophobicContact SD-CD1 3.58Å; M1-I53 VanDerWaalsContact SD-CD1 3.58Å; M1-I53 HydrophobicContact SD-CG1 4.44Å; M1-E119 WeakPolarHBondContact CA-OE2 3.37Å; M1-E119 WeakPolarHBondContact CB-OE2 3.35Å; M1-E119 VanDerWaalsContact N-CD 3.31Å; M1-E119 PolarHBondContact N-OE1 2.98Å; M1-E119 PolarHBondContact N-OE2 3.21Å; M1-E119 VanDerWaalsContact N-OE2 3.17Å
2F77.4Confident90.3Very high60 Ų6067.1 Ų67.126%0.26334%0.341SS..  trans-110.6134-180-53.1-50.2000111.4P7 Y71 F72F2-P7 HydrophobicContact CD1-CG 3.84Å; F2-P7 HydrophobicContact CD2-CG 4.09Å; F2-P7 HydrophobicContact CE1-CG 3.61Å; F2-P7 HydrophobicContact CE2-CG 3.89Å; F2-P7 HydrophobicContact CG-CG 4.08Å; F2-P7 HydrophobicContact CZ-CG 3.65Å; F2-Y71 HydrophobicContact CE1-CD2 4.07Å; F2-Y71 HydrophobicContact CE1-CE2 4.35Å; F2-Y71 HydrophobicContact CE1-CG 4.19Å; F2-Y71 HydrophobicContact CZ-CD1 4.25Å; F2-Y71 HydrophobicContact CZ-CD2 4.14Å; F2-Y71 HydrophobicContact CZ-CE1 4.15Å; F2-Y71 HydrophobicContact CZ-CE2 4.01Å; F2-Y71 HydrophobicContact CZ-CG 4.26Å; F2-F72 HydrophobicContact CD1-CE2 4.04Å; F2-F72 AromaticContact CD1-CZ 3.67Å; F2-F72 HydrophobicContact CD1-CZ 3.67Å; F2-F72 HydrophobicContact CE1-CE2 4.16Å; F2-F72 HydrophobicContact CE1-CZ 4.08Å
3G82.3Confident90.9Very high41 Ų4161.9 Ų61.942%0.42332%0.315SS..  trans-75.6-152.7173.600000112.3L5 Q6 E125G3-L5 VanDerWaalsContact C-N 3.28Å; G3-L5 PolarHBondContact O-N 2.98Å; G3-Q6 PolarHBondContact O-NE2 3.11Å; G3-E125 VanDerWaalsContact C-OE1 3.26Å; G3-E125 WeakPolarHBondContact CA-OE1 3.45Å
4L89.5Confident91.4Very high101 Ų10161.6 Ų61.653%0.52933%0.327SS..SBendtrans-54.5-42.1169.6-173.665.5000112.3Q6 Y82 L85 K86 E125L4-Q6 PolarHBondContact O-N 3.1Å; L4-Y82 HydrophobicContact CD2-CE2 4.27Å; L4-L85 HydrophobicContact CD2-CD2 4.24Å; L4-L85 HydrophobicContact CG-CD2 3.88Å; L4-K86 HydrophobicContact CD2-CD 4Å; L4-E125 WeakPolarHBondContact CA-OE1 3.49Å; L4-E125 WeakPolarHBondContact CB-OE2 3.28Å; L4-E125 PolarHBondContact N-OE1 3.17Å; L4-E125 PolarHBondContact N-OE2 2.86Å
5L93.7Very high91.8Very high18 Ų1858.7 Ų58.79%0.09431%0.309CS..SBendtrans-76.8110.8177-17564.6000110.8G3 F72 Y78 D81 Y82 L85 E125G3-L5 VanDerWaalsContact C-N 3.28Å; G3-L5 PolarHBondContact O-N 2.98Å; L5-F72 HydrophobicContact CD2-CD1 4.25Å; L5-F72 HydrophobicContact CD2-CE1 4.43Å; L5-F72 HydrophobicContact CG-CD1 4.5Å; L5-F72 HydrophobicContact CG-CE1 4.26Å; L5-Y78 HydrophobicContact CD2-CD2 3.59Å; L5-Y78 HydrophobicContact CD2-CE2 3.74Å; L5-Y78 HydrophobicContact CD2-CG 4.41Å; L5-D81 HydrophobicContact CD1-CB 4.27Å; L5-D81 HydrophobicContact CD2-CB 4.12Å; L5-Y82 HydrophobicContact CB-CD2 4.24Å; L5-L85 HydrophobicContact CB-CD2 4.41Å; L5-L85 HydrophobicContact CD1-CD2 4.08Å; L5-E125 PolarHBondContact N-OE1 3.03Å
6Q94.5Very high92.2Very high112 Ų11255 Ų5552%0.52329%0.29SS..  trans-92.1143.2177.9-63.9-63.7-48.400111.5G3 L4 N8G3-Q6 PolarHBondContact O-NE2 3.11Å; L4-Q6 PolarHBondContact O-N 3.1Å; Q6-N8 PolarHBondContact O-N 2.96Å
7P95.4Very high92.4Very high16 Ų1657.6 Ų57.610%0.10430%0.298CS..  trans-59.9131.6176.6-22.130.8000113F2 K9 V12 L50 Y71 F72F2-P7 HydrophobicContact CD1-CG 3.84Å; F2-P7 HydrophobicContact CD2-CG 4.09Å; F2-P7 HydrophobicContact CE1-CG 3.61Å; F2-P7 HydrophobicContact CE2-CG 3.89Å; F2-P7 HydrophobicContact CG-CG 4.08Å; F2-P7 HydrophobicContact CZ-CG 3.65Å; P7-K9 PolarHBondContact O-N 3.23Å; P7-V12 HydrophobicContact CB-CG2 4.23Å; P7-L50 HydrophobicContact CB-CD1 4.11Å; P7-L50 HydrophobicContact CB-CD2 4.33Å; P7-Y71 HydrophobicContact CB-CD1 3.62Å; P7-Y71 HydrophobicContact CB-CE1 4.48Å; P7-Y71 HydrophobicContact CB-CG 4.24Å; P7-Y71 HydrophobicContact CG-CD1 3.69Å; P7-Y71 HydrophobicContact CG-CE1 4.44Å; P7-Y71 HydrophobicContact CG-CG 4.03Å; P7-F72 HydrophobicContact CB-CE1 4.39Å; P7-F72 HydrophobicContact CG-CE1 3.9Å; P7-F72 HydrophobicContact CG-CZ 3.78Å
8N96.4Very high92.7Very high76 Ų7658.8 Ų58.841%0.40630%0.302SS..  trans-81112.4174.7-177.7-47.2000110.5Q6 E10 K11 V12Q6-N8 PolarHBondContact O-N 2.96Å; N8-E10 PolarHBondContact O-N 3.36Å; N8-E10 VanDerWaalsContact O-N 3.14Å; N8-E10 WeakPolarHBondContact OD1-CB 3.49Å; N8-E10 PolarHBondContact OD1-N 3.28Å; N8-K11 HydrophobicContact CB-CB 4.13Å; N8-K11 HydrophobicContact CB-CD 4.18Å; N8-K11 HydrophobicContact CB-CG 4.06Å; N8-K11 PolarHBondContact O-N 3.01Å; N8-K11 VanDerWaalsContact O-N 3.09Å; N8-K11 PolarHBondContact OD1-N 3.49Å; N8-V12 WeakPolarHBondContact O-CG2 3.32Å; N8-V12 PolarHBondContact O-N 3.02Å
9K97.1Very high92.9Very high93 Ų9355.8 Ų55.840%0.40429%0.287SS..Hα-helixtrans-54.3-33-178.165.3-176-168.8173.20114.8P7 G13 G47 L50P7-K9 PolarHBondContact O-N 3.23Å; K9-G13 PolarHBondContact O-N 3.36Å; K9-G47 WeakPolarHBondContact CD-O 3.49Å; K9-G47 WeakPolarHBondContact CE-O 3.38Å; K9-G47 VanDerWaalsContact CG-O 3.22Å; K9-G47 WeakPolarHBondContact CG-O 3.42Å; K9-G47 WeakPolarHBondContact O-CA 3.38Å; K9-L50 HydrophobicContact CB-CB 4.36Å; K9-L50 HydrophobicContact CB-CD1 4.38Å
10E97.7Very high93Very high129 Ų12954.1 Ų54.160%0.60328%0.277SS*.Hα-helixtrans-74.2-42.8178.8-62.9178.7177.100110.9N8 G13 A14N8-E10 PolarHBondContact O-N 3.36Å; N8-E10 VanDerWaalsContact O-N 3.14Å; N8-E10 WeakPolarHBondContact OD1-CB 3.49Å; N8-E10 PolarHBondContact OD1-N 3.28Å; E10-G13 PolarHBondContact O-N 3.4Å; E10-A14 PolarHBondContact O-N 2.82Å
11K97.8Very high93.1Very high63 Ų6355.2 Ų55.227%0.27428%0.284SS..Hα-helixtrans-62.7-44.2173.5-68.2-170.6172.4-167.90111.5N8 G13 A14 R15 E77 D81N8-K11 HydrophobicContact CB-CB 4.13Å; N8-K11 HydrophobicContact CB-CD 4.18Å; N8-K11 HydrophobicContact CB-CG 4.06Å; N8-K11 PolarHBondContact O-N 3.01Å; N8-K11 VanDerWaalsContact O-N 3.09Å; N8-K11 PolarHBondContact OD1-N 3.49Å; K11-G13 VanDerWaalsContact C-N 3.33Å; K11-G13 PolarHBondContact O-N 3.41Å; K11-A14 WeakPolarHBondContact O-CB 3.22Å; K11-A14 PolarHBondContact O-N 3.17Å; K11-R15 WeakPolarHBondContact O-CG 3.27Å; K11-R15 PolarHBondContact O-N 3.17Å; K11-E77 WeakPolarHBondContact CD-OE1 3.38Å; K11-E77 WeakPolarHBondContact CE-OE1 3Å; K11-E77 IonicContact NZ-OE1 2.75Å; K11-E77 PolarHBondContact NZ-OE1 3.02Å; K11-D81 IonicContact NZ-OD1 3.05Å; K11-D81 PolarHBondContact NZ-OD1 3.23Å; K11-D81 IonicContact NZ-OD2 2.68Å; K11-D81 PolarHBondContact NZ-OD2 3.39Å
12V97.8Very high94.7Very high1 Ų156 Ų561%0.00629%0.286CS..Hα-helixtrans-58.4-47.3173.8177.60000110.3P7 N8 A14 R15 L16 L50 I56 F70 Y71P7-V12 HydrophobicContact CB-CG2 4.23Å; N8-V12 WeakPolarHBondContact O-CG2 3.32Å; N8-V12 PolarHBondContact O-N 3.02Å; V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.28Å; V12-R15 PolarHBondContact O-N 3.24Å; V12-L16 HydrophobicContact CG1-CD1 4.25Å; V12-L16 HydrophobicContact CG1-CG 4.43Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.5Å; V12-L16 PolarHBondContact O-N 3.1Å; V12-L50 HydrophobicContact CB-CD1 4.08Å; V12-L50 HydrophobicContact CG1-CD1 4.16Å; V12-L50 HydrophobicContact CG2-CD1 3.74Å; V12-I56 HydrophobicContact CG1-CD1 4.36Å; V12-F70 WeakPolarHBondContact CG2-O 3.41Å; V12-Y71 HydrophobicContact CG2-CD1 4.04Å
13G97.9Very high95.4Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-58.2-41.7176.400000113.3K9 E10 K11 L16 K17 Y44 V45K9-G13 PolarHBondContact O-N 3.36Å; E10-G13 PolarHBondContact O-N 3.4Å; K11-G13 VanDerWaalsContact C-N 3.33Å; K11-G13 PolarHBondContact O-N 3.41Å; G13-L16 WeakPolarHBondContact O-CB 3.43Å; G13-L16 PolarHBondContact O-N 2.94Å; G13-K17 PolarHBondContact O-N 2.96Å; G13-Y44 WeakPolarHBondContact CA-O 3.12Å; G13-V45 CarbonylContact C-O 3.08Å; G13-V45 WeakPolarHBondContact CA-O 3.45Å
14A97.9Very high96Very high58 Ų5860.9 Ų60.948%0.47930%0.304SS..Hα-helixtrans-63-43.7175.600000112.3E10 K11 V12 K17 Q18E10-A14 PolarHBondContact O-N 2.82Å; K11-A14 WeakPolarHBondContact O-CB 3.22Å; K11-A14 PolarHBondContact O-N 3.17Å; V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.28Å; A14-K17 VanDerWaalsContact O-CB 3.29Å; A14-K17 WeakPolarHBondContact O-CB 3.27Å; A14-K17 PolarHBondContact O-N 3.47Å; A14-Q18 PolarHBondContact O-N 3.44Å
15R97.9Very high96.3Very high17 Ų1757.1 Ų57.16%0.06429%0.285CS..Hα-helixtrans-65.8-37.9175.9-66.1178.3-162.9124.9-2.9112.1K11 V12 K17 Q18 I19 W69 F70 Y71 F72 G73 E77K11-R15 WeakPolarHBondContact O-CG 3.27Å; K11-R15 PolarHBondContact O-N 3.17Å; V12-R15 PolarHBondContact O-N 3.24Å; R15-K17 VanDerWaalsContact C-N 3.32Å; R15-K17 PolarHBondContact O-N 2.92Å; R15-Q18 WeakPolarHBondContact O-CB 3.32Å; R15-Q18 PolarHBondContact O-N 3.12Å; R15-I19 WeakPolarHBondContact O-CG1 3.41Å; R15-I19 PolarHBondContact O-N 2.99Å; R15-I19 VanDerWaalsContact O-N 3.08Å; R15-W69 HydrophobicContact CB-CH2 4.01Å; R15-W69 HydrophobicContact CB-CZ3 3.89Å; R15-W69 WeakPolarHBondContact CD-O 3.41Å; R15-W69 HydrophobicContact CG-CH2 4.13Å; R15-W69 HydrophobicContact CG-CZ3 4.32Å; R15-F70 HydrophobicContact CB-CD1 4.37Å; R15-F70 WeakPolarHBondContact CD-O 3.23Å; R15-F70 PolarHBondContact NH1-O 3.4Å; R15-Y71 PolarHBondContact NH1-O 3.26Å; R15-F72 PolarHBondContact NH2-O 2.8Å; R15-F72 VanDerWaalsContact NH2-O 3.11Å; R15-G73 VanDerWaalsContact CZ-CA 3.4Å; R15-G73 VanDerWaalsContact NH2-CA 3.32Å; R15-G73 VanDerWaalsContact NH2-N 3.2Å; R15-E77 IonicContact CZ-OE2 3.84Å; R15-E77 IonicContact NH2-OE1 3.37Å; R15-E77 PolarHBondContact NH2-OE1 3.32Å; R15-E77 IonicContact NH2-OE2 2.68Å; R15-E77 PolarHBondContact NH2-OE2 3.48Å
16L97.5Very high96.3Very high0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-61.7-41.2171.6-68.9176.5000112V12 G13 K20 V45 A51 I56 I59 F70V12-L16 HydrophobicContact CG1-CD1 4.25Å; V12-L16 HydrophobicContact CG1-CG 4.43Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.5Å; V12-L16 PolarHBondContact O-N 3.1Å; G13-L16 WeakPolarHBondContact O-CB 3.43Å; G13-L16 PolarHBondContact O-N 2.94Å; L16-K20 WeakPolarHBondContact O-CB 3.12Å; L16-K20 PolarHBondContact O-N 3.12Å; L16-K20 VanDerWaalsContact O-N 3.11Å; L16-V45 HydrophobicContact CB-CG2 3.72Å; L16-V45 HydrophobicContact CD1-CG2 4.48Å; L16-A51 HydrophobicContact CD1-CB 4.11Å; L16-I56 HydrophobicContact CD2-CD1 3.93Å; L16-I59 HydrophobicContact CD2-CD1 3.36Å; L16-I59 HydrophobicContact CD2-CG2 4.45Å; L16-F70 HydrophobicContact CD2-CD1 3.96Å; L16-F70 HydrophobicContact CD2-CE1 3.96Å
17K96.9Very high96.3Very high99 Ų9956.4 Ų56.443%0.4329%0.287SS..Hα-helixtrans-62.1-46.7174.9-162.6-178.1170.3-172.50111.2G13 A14 R15 I19 K20 D21 V45G13-K17 PolarHBondContact O-N 2.96Å; A14-K17 VanDerWaalsContact O-CB 3.29Å; A14-K17 WeakPolarHBondContact O-CB 3.27Å; A14-K17 PolarHBondContact O-N 3.47Å; R15-K17 VanDerWaalsContact C-N 3.32Å; R15-K17 PolarHBondContact O-N 2.92Å; K17-I19 VanDerWaalsContact C-N 3.34Å; K17-I19 PolarHBondContact O-N 2.78Å; K17-K20 WeakPolarHBondContact O-CB 3.45Å; K17-K20 PolarHBondContact O-N 3.06Å; K17-D21 WeakPolarHBondContact O-CB 3.29Å; K17-D21 VanDerWaalsContact O-CG 3.25Å; K17-D21 PolarHBondContact O-N 3.41Å; K17-V45 HydrophobicContact CB-CG1 3.66Å; K17-V45 HydrophobicContact CD-CG1 4.42Å; K17-V45 HydrophobicContact CG-CG1 3.92Å
18Q97.1Very high96.2Very high79 Ų7959.1 Ų59.137%0.36930%0.304SS..Hα-helixtrans-54.3-50.7178.4177.7-176.3-16.400110.9A14 R15 K20 D21 E22A14-Q18 PolarHBondContact O-N 3.44Å; R15-Q18 WeakPolarHBondContact O-CB 3.32Å; R15-Q18 PolarHBondContact O-N 3.12Å; Q18-K20 PolarHBondContact O-N 2.77Å; Q18-D21 PolarHBondContact O-N 3.2Å; Q18-D21 VanDerWaalsContact O-N 3.14Å; Q18-E22 HydrophobicContact CG-CG 4.37Å; Q18-E22 VanDerWaalsContact CG-OE1 3.3Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.29Å; Q18-E22 PolarHBondContact NE2-OE1 3.36Å; Q18-E22 WeakPolarHBondContact O-CB 3.46Å; Q18-E22 WeakPolarHBondContact O-CG 3.45Å; Q18-E22 PolarHBondContact O-N 3.26Å
19I96.3Very high96.1Very high3 Ų359.1 Ų59.12%0.01530%0.301CS..Hα-helixtrans-64.2-41.3-179.6-63.9-67.4000111.9R15 K17 D21 E22 M23 I59 R65 W69 F70R15-I19 WeakPolarHBondContact O-CG1 3.41Å; R15-I19 PolarHBondContact O-N 2.99Å; R15-I19 VanDerWaalsContact O-N 3.08Å; K17-I19 VanDerWaalsContact C-N 3.34Å; K17-I19 PolarHBondContact O-N 2.78Å; I19-D21 VanDerWaalsContact C-N 3.27Å; I19-D21 PolarHBondContact O-N 3.34Å; I19-E22 PolarHBondContact O-N 3.49Å; I19-M23 HydrophobicContact CG2-CG 4.47Å; I19-M23 HydrophobicContact CG2-SD 3.92Å; I19-M23 WeakPolarHBondContact O-CB 3.37Å; I19-M23 WeakPolarHBondContact O-CG 3.46Å; I19-M23 PolarHBondContact O-N 3.06Å; I19-I59 HydrophobicContact CG2-CG2 4.24Å; I19-R65 HydrophobicContact CD1-CG 3.84Å; I19-W69 HydrophobicContact CD1-CH2 4.23Å; I19-W69 HydrophobicContact CD1-CZ3 4.03Å; I19-W69 HydrophobicContact CG1-CH2 4.35Å; I19-W69 HydrophobicContact CG1-CZ3 3.98Å; I19-F70 HydrophobicContact CB-CE1 4.45Å; I19-F70 HydrophobicContact CD1-CZ 4.38Å; I19-F70 HydrophobicContact CG1-CE1 3.71Å; I19-F70 HydrophobicContact CG1-CZ 3.77Å
20K94.7Very high96Very high20 Ų2054.8 Ų54.89%0.08728%0.283CS..Hα-helixtrans-58.9-41.2174.3-177.4-150.7137.3-58.50111.7L16 K17 Q18 N24 I25 F27 F30L16-K20 WeakPolarHBondContact O-CB 3.12Å; L16-K20 PolarHBondContact O-N 3.12Å; L16-K20 VanDerWaalsContact O-N 3.11Å; K17-K20 WeakPolarHBondContact O-CB 3.45Å; K17-K20 PolarHBondContact O-N 3.06Å; Q18-K20 PolarHBondContact O-N 2.77Å; K20-N24 PolarHBondContact O-N 2.86Å; K20-I25 WeakPolarHBondContact CE-O 3.44Å; K20-I25 HydrophobicContact CG-CG1 4.11Å; K20-I25 PolarHBondContact NZ-O 3.45Å; K20-I25 PolarHBondContact O-N 3.11Å; K20-F27 HydrophobicContact CD-CD1 3.65Å; K20-F27 HydrophobicContact CD-CD2 4.35Å; K20-F27 HydrophobicContact CD-CE1 3.51Å; K20-F27 HydrophobicContact CD-CE2 4.25Å; K20-F27 HydrophobicContact CD-CG 4.06Å; K20-F27 HydrophobicContact CD-CZ 3.84Å; K20-F30 HydrophobicContact CB-CD1 3.82Å; K20-F30 HydrophobicContact CB-CE1 3.95Å; K20-F30 HydrophobicContact CB-CG 4.25Å; K20-F30 HydrophobicContact CB-CZ 4.49Å; K20-F30 HydrophobicContact CD-CD1 4.38Å; K20-F30 HydrophobicContact CG-CB 4.08Å; K20-F30 HydrophobicContact CG-CD1 3.85Å; K20-F30 HydrophobicContact CG-CE1 4.49Å; K20-F30 HydrophobicContact CG-CG 4.05Å
21D96.1Very high95.9Very high79 Ų7948.7 Ų48.742%0.42225%0.254SS..Hα-helixtrans-74.5-40.7-178.4-67-14.3000111.3K17 Q18 I19 M23 N24K17-D21 WeakPolarHBondContact O-CB 3.29Å; K17-D21 VanDerWaalsContact O-CG 3.25Å; K17-D21 PolarHBondContact O-N 3.41Å; Q18-D21 PolarHBondContact O-N 3.2Å; Q18-D21 VanDerWaalsContact O-N 3.14Å; I19-D21 VanDerWaalsContact C-N 3.27Å; I19-D21 PolarHBondContact O-N 3.34Å; D21-M23 VanDerWaalsContact C-N 3.32Å; D21-M23 PolarHBondContact O-N 3.37Å; D21-N24 WeakPolarHBondContact O-CA 3.24Å; D21-N24 PolarHBondContact O-N 3.23Å
22E96.1Very high95.7Very high110 Ų11049.3 Ų49.351%0.51427%0.266SS..Hα-helixtrans-60.1-39.1172.2-74.7175.1-172.300112.3Q18 I19 N24Q18-E22 HydrophobicContact CG-CG 4.37Å; Q18-E22 VanDerWaalsContact CG-OE1 3.3Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.29Å; Q18-E22 PolarHBondContact NE2-OE1 3.36Å; Q18-E22 WeakPolarHBondContact O-CB 3.46Å; Q18-E22 WeakPolarHBondContact O-CG 3.45Å; Q18-E22 PolarHBondContact O-N 3.26Å; I19-E22 PolarHBondContact O-N 3.49Å; E22-N24 PolarHBondContact O-N 3.38Å
23M93.3Very high95.5Very high54 Ų5455.1 Ų55.127%0.26629%0.288SS..THydrogen-bonded Turntrans-73.6-9.7173.9-68.6175.475.400113.3I19 D21 I25 R33 I62I19-M23 HydrophobicContact CG2-CG 4.47Å; I19-M23 HydrophobicContact CG2-SD 3.92Å; I19-M23 WeakPolarHBondContact O-CB 3.37Å; I19-M23 WeakPolarHBondContact O-CG 3.46Å; I19-M23 PolarHBondContact O-N 3.06Å; D21-M23 VanDerWaalsContact C-N 3.32Å; D21-M23 PolarHBondContact O-N 3.37Å; M23-I25 VanDerWaalsContact C-N 3.32Å; M23-I25 HydrophobicContact CB-CD1 4.13Å; M23-I25 HydrophobicContact CB-CG1 3.96Å; M23-I25 HydrophobicContact CB-CG2 4.41Å; M23-I25 HydrophobicContact CE-CD1 3.87Å; M23-I25 WeakPolarHBondContact O-CG2 3.33Å; M23-I25 PolarHBondContact O-N 3.01Å; M23-I25 HydrophobicContact SD-CD1 4.1Å; M23-R33 VanDerWaalsContact CE-NH1 3.27Å; M23-I62 HydrophobicContact CE-CG2 3.53Å; M23-I62 HydrophobicContact SD-CG2 4.2Å
24N95.1Very high95.2Very high150 Ų15055.3 Ų55.380%0.80229%0.289SS*.THydrogen-bonded Turntrans51.744.7-176.3-166.430000113.8K20 D21 E22K20-N24 PolarHBondContact O-N 2.86Å; D21-N24 WeakPolarHBondContact O-CA 3.24Å; D21-N24 PolarHBondContact O-N 3.23Å; E22-N24 PolarHBondContact O-N 3.38Å
25I94.7Very high95Very high23 Ų2355.9 Ų55.912%0.11830%0.301CS..  trans-115.6157.8-179.959.4176.6000112.7K20 M23 E29 F30K20-I25 WeakPolarHBondContact CE-O 3.44Å; K20-I25 HydrophobicContact CG-CG1 4.11Å; K20-I25 PolarHBondContact NZ-O 3.45Å; K20-I25 PolarHBondContact O-N 3.11Å; M23-I25 VanDerWaalsContact C-N 3.32Å; M23-I25 HydrophobicContact CB-CD1 4.13Å; M23-I25 HydrophobicContact CB-CG1 3.96Å; M23-I25 HydrophobicContact CB-CG2 4.41Å; M23-I25 HydrophobicContact CE-CD1 3.87Å; M23-I25 WeakPolarHBondContact O-CG2 3.33Å; M23-I25 PolarHBondContact O-N 3.01Å; M23-I25 HydrophobicContact SD-CD1 4.1Å; I25-E29 HydrophobicContact CB-CB 4.2Å; I25-E29 HydrophobicContact CB-CG 3.93Å; I25-E29 HydrophobicContact CD1-CG 4.4Å; I25-E29 HydrophobicContact CG2-CG 3.96Å; I25-F30 HydrophobicContact CD1-CB 3.75Å; I25-F30 HydrophobicContact CD1-CD2 3.75Å; I25-F30 HydrophobicContact CD1-CG 4.1Å; I25-F30 HydrophobicContact CG1-CB 4.22Å
26S94.8Very high94.9Very high64 Ų6456.9 Ų56.945%0.44831%0.307SS..  trans-75.9160.1174.675.30000111.9T28 E29 F30S26-T28 PolarHBondContact O-N 3.08Å; S26-T28 PolarHBondContact OG-N 2.89Å; S26-E29 PolarHBondContact O-N 3.46Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-E29 VanDerWaalsContact OG-N 3.11Å; S26-F30 WeakPolarHBondContact O-CB 3.19Å; S26-F30 PolarHBondContact O-N 2.81Å
27F93.2Very high94.7Very high51 Ų5164.6 Ų64.622%0.22434%0.341CS..Hα-helixtrans-58.3-32.4171.3-78.9-67.8000113.2K20 G31 K38 I41 V45K20-F27 HydrophobicContact CD-CD1 3.65Å; K20-F27 HydrophobicContact CD-CD2 4.35Å; K20-F27 HydrophobicContact CD-CE1 3.51Å; K20-F27 HydrophobicContact CD-CE2 4.25Å; K20-F27 HydrophobicContact CD-CG 4.06Å; K20-F27 HydrophobicContact CD-CZ 3.84Å; F27-G31 PolarHBondContact O-N 2.8Å; F27-K38 HydrophobicContact CB-CG 4.19Å; F27-I41 WeakPolarHBondContact O-CG2 3.5Å; F27-V45 HydrophobicContact CE1-CB 3.8Å; F27-V45 HydrophobicContact CE1-CG1 3.6Å; F27-V45 HydrophobicContact CE1-CG2 3.86Å; F27-V45 HydrophobicContact CZ-CB 4.43Å; F27-V45 HydrophobicContact CZ-CG1 3.8Å
28T94.2Very high94.5Very high73 Ų7365.5 Ų65.545%0.44835%0.345SS..Hα-helixtrans-64.8-50.3176.4-53.50000110S26 G31 S32S26-T28 PolarHBondContact O-N 3.08Å; S26-T28 PolarHBondContact OG-N 2.89Å; T28-G31 PolarHBondContact O-N 3.09Å; T28-S32 WeakPolarHBondContact O-CB 3.45Å; T28-S32 PolarHBondContact O-N 3.43Å; T28-S32 PolarHBondContact O-OG 3.04Å
29E95Very high94.4Very high75 Ų7566.4 Ų66.435%0.3536%0.357SS..Hα-helixtrans-64-42.4178.8176.759.9-167.100111.6I25 S26 G31 S32 R33I25-E29 HydrophobicContact CB-CB 4.2Å; I25-E29 HydrophobicContact CB-CG 3.93Å; I25-E29 HydrophobicContact CD1-CG 4.4Å; I25-E29 HydrophobicContact CG2-CG 3.96Å; S26-E29 PolarHBondContact O-N 3.46Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-E29 VanDerWaalsContact OG-N 3.11Å; E29-G31 PolarHBondContact O-N 2.89Å; E29-S32 PolarHBondContact O-N 3.44Å; E29-R33 WeakPolarHBondContact O-CG 3.41Å; E29-R33 PolarHBondContact O-N 3.44Å; E29-R33 IonicContact OE1-CZ 3.41Å; E29-R33 IonicContact OE1-NE 2.8Å; E29-R33 PolarHBondContact OE1-NE 3.32Å; E29-R33 IonicContact OE1-NH2 3.09Å; E29-R33 PolarHBondContact OE1-NH2 3.45Å; E29-R33 VanDerWaalsContact OE1-NH2 3.09Å
30F94.8Very high94.4Very high3 Ų368.6 Ų68.61%0.01337%0.371CS..Hα-helixtrans-62.3-43.8178.3-169.3-142.9000112.1K20 I25 S26 L34 I41 V45 I59K20-F30 HydrophobicContact CB-CD1 3.82Å; K20-F30 HydrophobicContact CB-CE1 3.95Å; K20-F30 HydrophobicContact CB-CG 4.25Å; K20-F30 HydrophobicContact CB-CZ 4.49Å; K20-F30 HydrophobicContact CD-CD1 4.38Å; K20-F30 HydrophobicContact CG-CB 4.08Å; K20-F30 HydrophobicContact CG-CD1 3.85Å; K20-F30 HydrophobicContact CG-CE1 4.49Å; K20-F30 HydrophobicContact CG-CG 4.05Å; I25-F30 HydrophobicContact CD1-CB 3.75Å; I25-F30 HydrophobicContact CD1-CD2 3.75Å; I25-F30 HydrophobicContact CD1-CG 4.1Å; I25-F30 HydrophobicContact CG1-CB 4.22Å; S26-F30 WeakPolarHBondContact O-CB 3.19Å; S26-F30 PolarHBondContact O-N 2.81Å; F30-L34 HydrophobicContact CD2-CD1 4.37Å; F30-L34 HydrophobicContact CE2-CD1 4.18Å; F30-L34 HydrophobicContact CZ-CD1 4.37Å; F30-L34 WeakPolarHBondContact O-CG 3.34Å; F30-I41 HydrophobicContact CD1-CD1 3.84Å; F30-I41 HydrophobicContact CD1-CG1 3.52Å; F30-I41 HydrophobicContact CE1-CD1 3.74Å; F30-I41 HydrophobicContact CE1-CG1 3.95Å; F30-I41 HydrophobicContact CG-CG1 4.28Å; F30-V45 HydrophobicContact CE1-CG2 4.47Å; F30-I59 HydrophobicContact CE2-CG1 4.41Å; F30-I59 HydrophobicContact CE2-CG2 4.34Å; F30-I59 HydrophobicContact CZ-CD1 4Å; F30-I59 HydrophobicContact CZ-CG1 4.3Å; F30-I59 HydrophobicContact CZ-CG2 4.16Å
31G94.4Very high94.4Very high0 Ų067.7 Ų67.70%037%0.367CS..Hα-helixtrans-60.9-46.8172.300000112.4F27 T28 E29 R33 L34 G35 L36F27-G31 PolarHBondContact O-N 2.8Å; T28-G31 PolarHBondContact O-N 3.09Å; E29-G31 PolarHBondContact O-N 2.89Å; G31-R33 VanDerWaalsContact C-N 3.35Å; G31-R33 PolarHBondContact O-N 3.43Å; G31-L34 CarbonylContact O-C 3.59Å; G31-L34 PolarHBondContact O-N 2.72Å; G31-G35 PolarHBondContact O-N 3Å; G31-G35 VanDerWaalsContact O-N 3.11Å; G31-L36 CarbonylContact C-O 3.57Å; G31-L36 WeakPolarHBondContact CA-O 3.36Å; G31-L36 PolarHBondContact O-N 3.01Å; G31-L36 VanDerWaalsContact O-O 3.1Å
32S94.3Very high94.4Very high76 Ų7665.8 Ų65.853%0.53136%0.36SS..Hα-helixtrans-56.9-43.6179.9-66.70000112.9T28 E29 L34 G35T28-S32 WeakPolarHBondContact O-CB 3.45Å; T28-S32 PolarHBondContact O-N 3.43Å; T28-S32 PolarHBondContact O-OG 3.04Å; E29-S32 PolarHBondContact O-N 3.44Å; S32-L34 PolarHBondContact O-N 2.88Å; S32-G35 PolarHBondContact O-N 3.49Å; S32-G35 VanDerWaalsContact O-N 3.1Å
33R92.9Very high94.4Very high124 Ų12461.5 Ų61.547%0.46834%0.342SS..Hα-helixtrans-61.6-23.4177.1-70.3-175.7-173.5-159.63.3113.7M23 E29 G31 I62M23-R33 VanDerWaalsContact CE-NH1 3.27Å; E29-R33 WeakPolarHBondContact O-CG 3.41Å; E29-R33 PolarHBondContact O-N 3.44Å; E29-R33 IonicContact OE1-CZ 3.41Å; E29-R33 IonicContact OE1-NE 2.8Å; E29-R33 PolarHBondContact OE1-NE 3.32Å; E29-R33 IonicContact OE1-NH2 3.09Å; E29-R33 PolarHBondContact OE1-NH2 3.45Å; E29-R33 VanDerWaalsContact OE1-NH2 3.09Å; G31-R33 VanDerWaalsContact C-N 3.35Å; G31-R33 PolarHBondContact O-N 3.43Å; R33-I62 HydrophobicContact CB-CD1 4.44Å
34L92.7Very high94.6Very high3 Ų360.5 Ų60.52%0.01634%0.335CS..Hα-helixtrans-99.3-4.9-179.5-57.2173000112.9F30 G31 S32 L36 I41 V55 K58 I59 I62F30-L34 HydrophobicContact CD2-CD1 4.37Å; F30-L34 HydrophobicContact CE2-CD1 4.18Å; F30-L34 HydrophobicContact CZ-CD1 4.37Å; F30-L34 WeakPolarHBondContact O-CG 3.34Å; G31-L34 CarbonylContact O-C 3.59Å; G31-L34 PolarHBondContact O-N 2.72Å; S32-L34 PolarHBondContact O-N 2.88Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CB 4.48Å; L34-L36 HydrophobicContact CB-CD1 4.04Å; L34-L36 HydrophobicContact CB-CG 4.01Å; L34-L36 HydrophobicContact CD1-CD1 4.38Å; L34-I41 HydrophobicContact CD1-CD1 3.89Å; L34-V55 HydrophobicContact CD1-CG1 4.34Å; L34-K58 HydrophobicContact CD2-CB 3.82Å; L34-I59 HydrophobicContact CD1-CD1 3.61Å; L34-I59 HydrophobicContact CD1-CG1 3.55Å; L34-I59 HydrophobicContact CD2-CD1 4.39Å; L34-I59 HydrophobicContact CD2-CG1 3.43Å; L34-I59 VanDerWaalsContact CD2-CG1 3.43Å; L34-I59 HydrophobicContact CG-CG1 4.11Å; L34-I62 HydrophobicContact CD2-CD1 3.97Å
35G93.3Very high94.7Very high71 Ų7153.7 Ų53.773%0.73230%0.3SS*.THydrogen-bonded Turntrans7223.8-171.600000113.3G31 S32G31-G35 PolarHBondContact O-N 3Å; G31-G35 VanDerWaalsContact O-N 3.11Å; S32-G35 PolarHBondContact O-N 3.49Å; S32-G35 VanDerWaalsContact O-N 3.1Å
36L94.9Very high94.7Very high37 Ų3757.3 Ų57.319%0.19432%0.316CS..  trans-110.8147.1-176.9-61.6178.2000111.4G31 L34 T40 Y44 V55G31-L36 CarbonylContact C-O 3.57Å; G31-L36 WeakPolarHBondContact CA-O 3.36Å; G31-L36 PolarHBondContact O-N 3.01Å; G31-L36 VanDerWaalsContact O-O 3.1Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CB 4.48Å; L34-L36 HydrophobicContact CB-CD1 4.04Å; L34-L36 HydrophobicContact CB-CG 4.01Å; L34-L36 HydrophobicContact CD1-CD1 4.38Å; L36-T40 HydrophobicContact CD1-CG2 4.47Å; L36-T40 HydrophobicContact CD2-CG2 4.25Å; L36-Y44 HydrophobicContact CD1-CD2 4.49Å; L36-Y44 HydrophobicContact CD1-CE2 4.02Å; L36-V55 HydrophobicContact CD1-CG1 3.86Å; L36-V55 HydrophobicContact CD1-CG2 3.87Å; L36-V55 HydrophobicContact CD2-CG2 4.46Å
37K93.8Very high94.8Very high162 Ų16254.4 Ų54.470%0.70430%0.296SS*.  trans-71.7149.3172.4-62-179179.4176.30110.2P39 T40 I41K37-P39 VanDerWaalsContact C-CD 3.43Å; K37-P39 VanDerWaalsContact C-N 3.32Å; K37-T40 WeakPolarHBondContact O-CB 3.47Å; K37-T40 PolarHBondContact O-N 3.37Å; K37-I41 PolarHBondContact O-N 3.34Å
38K92.9Very high95Very high119 Ų11959.5 Ų59.552%0.51732%0.315SS..Hα-helixtrans-46.6-44.8176.3-176.6-172.3179.6-178.30113.7F27 T40 I41 S42F27-K38 HydrophobicContact CB-CG 4.19Å; K38-T40 VanDerWaalsContact C-N 3.32Å; K38-T40 PolarHBondContact O-N 3.06Å; K38-I41 VanDerWaalsContact O-CG2 3.27Å; K38-I41 WeakPolarHBondContact O-CG2 3.49Å; K38-S42 WeakPolarHBondContact O-CB 3.29Å; K38-S42 PolarHBondContact O-N 2.89Å
39P95.1Very high95.1Very high97 Ų9760.5 Ų60.563%0.6332%0.317SS*.Hα-helixtrans-63.8-35.1178.5-23.436.1000113.4K37 S42 S43K37-P39 VanDerWaalsContact C-CD 3.43Å; K37-P39 VanDerWaalsContact C-N 3.32Å; P39-S42 PolarHBondContact O-N 3.5Å; P39-S43 WeakPolarHBondContact O-CB 3.43Å; P39-S43 PolarHBondContact O-N 3.25Å
40T96.1Very high95.2Very high50 Ų5060 Ų6031%0.30732%0.317SS..Hα-helixtrans-67.1-51.4179.7-52.50000111L36 K37 K38 S42 S43 Y44L36-T40 HydrophobicContact CD1-CG2 4.47Å; L36-T40 HydrophobicContact CD2-CG2 4.25Å; K37-T40 WeakPolarHBondContact O-CB 3.47Å; K37-T40 PolarHBondContact O-N 3.37Å; K38-T40 VanDerWaalsContact C-N 3.32Å; K38-T40 PolarHBondContact O-N 3.06Å; T40-S42 VanDerWaalsContact C-N 3.29Å; T40-S42 PolarHBondContact O-N 3.28Å; T40-S43 WeakPolarHBondContact O-CB 3.48Å; T40-S43 PolarHBondContact O-N 3.43Å; T40-S43 VanDerWaalsContact O-N 3.1Å; T40-Y44 HydrophobicContact CG2-CE2 3.79Å; T40-Y44 PolarHBondContact O-N 3.47Å
41I95.5Very high95.2Very high0 Ų059.9 Ų59.90%032%0.316CS..Hα-helixtrans-65.4-35.4177.5-170.758.1000111.7F27 F30 L34 K37 K38 S43 Y44 V45F27-I41 WeakPolarHBondContact O-CG2 3.5Å; F30-I41 HydrophobicContact CD1-CD1 3.84Å; F30-I41 HydrophobicContact CD1-CG1 3.52Å; F30-I41 HydrophobicContact CE1-CD1 3.74Å; F30-I41 HydrophobicContact CE1-CG1 3.95Å; F30-I41 HydrophobicContact CG-CG1 4.28Å; L34-I41 HydrophobicContact CD1-CD1 3.89Å; K37-I41 PolarHBondContact O-N 3.34Å; K38-I41 VanDerWaalsContact O-CG2 3.27Å; K38-I41 WeakPolarHBondContact O-CG2 3.49Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 3.41Å; I41-Y44 HydrophobicContact CD1-CD2 4.42Å; I41-Y44 PolarHBondContact O-N 2.9Å; I41-V45 HydrophobicContact CD1-CG2 4.43Å; I41-V45 HydrophobicContact CG1-CG2 4.45Å; I41-V45 WeakPolarHBondContact O-CG2 3.1Å; I41-V45 PolarHBondContact O-N 2.99Å
42S94.4Very high95.3Very high40 Ų4062.2 Ų62.228%0.2833%0.332SS..Hα-helixtrans-61.6-39.5172.5-169.90000111.4K38 P39 T40 Y44 V45 Q46K38-S42 WeakPolarHBondContact O-CB 3.29Å; K38-S42 PolarHBondContact O-N 2.89Å; P39-S42 PolarHBondContact O-N 3.5Å; T40-S42 VanDerWaalsContact C-N 3.29Å; T40-S42 PolarHBondContact O-N 3.28Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 2.88Å; S42-V45 PolarHBondContact O-N 3.12Å; S42-Q46 WeakPolarHBondContact O-CB 3.35Å; S42-Q46 WeakPolarHBondContact O-CG 3.41Å; S42-Q46 PolarHBondContact O-N 3.13Å
43S97Very high95.3Very high19 Ų1960.3 Ų60.313%0.13332%0.315CS..Hα-helixtrans-62.6-38178-177.50000112.8P39 T40 I41 Y48 N49P39-S43 WeakPolarHBondContact O-CB 3.43Å; P39-S43 PolarHBondContact O-N 3.25Å; T40-S43 WeakPolarHBondContact O-CB 3.48Å; T40-S43 PolarHBondContact O-N 3.43Å; T40-S43 VanDerWaalsContact O-N 3.1Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 3.41Å; S43-Y48 PolarHBondContact O-N 2.97Å; S43-N49 PolarHBondContact O-N 3.35Å; S43-N49 PolarHBondContact OG-ND2 2.95Å
44Y97.7Very high95.4Very high33 Ų3359.7 Ų59.713%0.12932%0.318CS..Hα-helixtrans-72.4-44.8177.5-58.2-31.8000111.6G13 L36 T40 I41 S42 Q46 G47 N49 A51 P52 V55G13-Y44 WeakPolarHBondContact CA-O 3.12Å; L36-Y44 HydrophobicContact CD1-CD2 4.49Å; L36-Y44 HydrophobicContact CD1-CE2 4.02Å; T40-Y44 HydrophobicContact CG2-CE2 3.79Å; T40-Y44 PolarHBondContact O-N 3.47Å; I41-Y44 HydrophobicContact CD1-CD2 4.42Å; I41-Y44 PolarHBondContact O-N 2.9Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 2.88Å; Y44-Q46 VanDerWaalsContact C-N 3.28Å; Y44-Q46 PolarHBondContact O-N 2.81Å; Y44-G47 PolarHBondContact O-N 3.31Å; Y44-N49 HydrophobicContact CD1-CB 3.91Å; Y44-N49 WeakPolarHBondContact CD1-O 3.4Å; Y44-N49 HydrophobicContact CE1-CB 3.91Å; Y44-A51 HydrophobicContact CD1-CB 4.36Å; Y44-A51 HydrophobicContact CD2-CB 3.99Å; Y44-A51 HydrophobicContact CE2-CB 4.45Å; Y44-A51 HydrophobicContact CG-CB 3.94Å; Y44-P52 WeakPolarHBondContact OH-CD 3.5Å; Y44-V55 HydrophobicContact CD2-CG1 4.46Å; Y44-V55 HydrophobicContact CE2-CG1 4.37Å; Y44-V55 HydrophobicContact CE2-CG2 4.45Å
45V96.4Very high95.5Very high8 Ų860.1 Ų60.15%0.04832%0.32CS..Hα-helixtrans-65.4-32.2-179.2170.90000112.3G13 L16 K17 F27 F30 I41 S42 G47G13-V45 CarbonylContact C-O 3.08Å; G13-V45 WeakPolarHBondContact CA-O 3.45Å; L16-V45 HydrophobicContact CB-CG2 3.72Å; L16-V45 HydrophobicContact CD1-CG2 4.48Å; K17-V45 HydrophobicContact CB-CG1 3.66Å; K17-V45 HydrophobicContact CD-CG1 4.42Å; K17-V45 HydrophobicContact CG-CG1 3.92Å; F27-V45 HydrophobicContact CE1-CB 3.8Å; F27-V45 HydrophobicContact CE1-CG1 3.6Å; F27-V45 HydrophobicContact CE1-CG2 3.86Å; F27-V45 HydrophobicContact CZ-CB 4.43Å; F27-V45 HydrophobicContact CZ-CG1 3.8Å; F30-V45 HydrophobicContact CE1-CG2 4.47Å; I41-V45 HydrophobicContact CD1-CG2 4.43Å; I41-V45 HydrophobicContact CG1-CG2 4.45Å; I41-V45 WeakPolarHBondContact O-CG2 3.1Å; I41-V45 PolarHBondContact O-N 2.99Å; S42-V45 PolarHBondContact O-N 3.12Å; V45-G47 PolarHBondContact O-N 3.23Å
46Q96.4Very high95.7Very high99 Ų9956.8 Ų56.846%0.46329%0.285SS..THydrogen-bonded Turntrans-80.70.3174-62.1-59.6-47.100113.4S42 Y44 Y48S42-Q46 WeakPolarHBondContact O-CB 3.35Å; S42-Q46 WeakPolarHBondContact O-CG 3.41Å; S42-Q46 PolarHBondContact O-N 3.13Å; Y44-Q46 VanDerWaalsContact C-N 3.28Å; Y44-Q46 PolarHBondContact O-N 2.81Å; Q46-Y48 HydrophobicContact CB-CD2 3.76Å; Q46-Y48 HydrophobicContact CB-CE2 3.61Å; Q46-Y48 HydrophobicContact CB-CG 4.31Å; Q46-Y48 HydrophobicContact CG-CE2 4.13Å; Q46-Y48 PolarHBondContact O-N 3.45Å
47G96.4Very high95.8Very high3 Ų358.9 Ų58.93%0.03129%0.294CS..THydrogen-bonded Turntrans69.515.2-179.500000114.7K9 Y44 V45K9-G47 WeakPolarHBondContact CD-O 3.49Å; K9-G47 WeakPolarHBondContact CE-O 3.38Å; K9-G47 VanDerWaalsContact CG-O 3.22Å; K9-G47 WeakPolarHBondContact CG-O 3.42Å; K9-G47 WeakPolarHBondContact O-CA 3.38Å; Y44-G47 PolarHBondContact O-N 3.31Å; V45-G47 PolarHBondContact O-N 3.23Å
48Y96.7Very high95.9Very high158 Ų15856.1 Ų56.162%0.6228%0.282SS*.SBendtrans-68.3-40.9176.2-63.4-43000111.4S43 Q46S43-Y48 PolarHBondContact O-N 2.97Å; Q46-Y48 HydrophobicContact CB-CD2 3.76Å; Q46-Y48 HydrophobicContact CB-CE2 3.61Å; Q46-Y48 HydrophobicContact CB-CG 4.31Å; Q46-Y48 HydrophobicContact CG-CE2 4.13Å; Q46-Y48 PolarHBondContact O-N 3.45Å
49N96.7Very high96Very high93 Ų9350.6 Ų50.650%0.49726%0.258SS..SBendtrans-128.3145.9176.9-69.3-53.2000109.7S43 Y44S43-N49 PolarHBondContact O-N 3.35Å; S43-N49 PolarHBondContact OG-ND2 2.95Å; Y44-N49 HydrophobicContact CD1-CB 3.91Å; Y44-N49 WeakPolarHBondContact CD1-O 3.4Å; Y44-N49 HydrophobicContact CE1-CB 3.91Å
50L96.5Very high96Very high64 Ų6446.5 Ų46.534%0.33523%0.233SC..PPolyproline II helixtrans-72.1134.8170.6-174.665.2000109.5P7 K9 V12 Y71P7-L50 HydrophobicContact CB-CD1 4.11Å; P7-L50 HydrophobicContact CB-CD2 4.33Å; K9-L50 HydrophobicContact CB-CB 4.36Å; K9-L50 HydrophobicContact CB-CD1 4.38Å; V12-L50 HydrophobicContact CB-CD1 4.08Å; V12-L50 HydrophobicContact CG1-CD1 4.16Å; V12-L50 HydrophobicContact CG2-CD1 3.74Å; L50-Y71 HydrophobicContact CD1-CD1 4.29Å; L50-Y71 HydrophobicContact CD1-CE1 4.06Å; L50-Y71 HydrophobicContact CD2-CE1 4.44Å; L50-Y71 HydrophobicContact CG-CE1 4.3Å
51A95.8Very high96Very high1 Ų152.4 Ų52.41%0.00825%0.254CS..PPolyproline II helixtrans-70.2130.6175.400000110.3L16 Y44 V55 I56 Y71L16-A51 HydrophobicContact CD1-CB 4.11Å; Y44-A51 HydrophobicContact CD1-CB 4.36Å; Y44-A51 HydrophobicContact CD2-CB 3.99Å; Y44-A51 HydrophobicContact CE2-CB 4.45Å; Y44-A51 HydrophobicContact CG-CB 3.94Å; A51-V55 HydrophobicContact CB-CG1 4.46Å; A51-I56 HydrophobicContact CB-CD1 3.65Å; A51-I56 HydrophobicContact CB-CG1 3.97Å; A51-Y71 PolarHBondContact O-OH 2.8Å
52P95.7Very high95.9Very high49 Ų4956 Ų5632%0.31827%0.273SS..PPolyproline II helixtrans-70.5156.9179.332.1-36.7000110.7Y44 E54 V55 I56Y44-P52 WeakPolarHBondContact OH-CD 3.5Å; P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 WeakPolarHBondContact CB-OE2 3.19Å; P52-E54 PolarHBondContact O-N 3.42Å; P52-V55 HydrophobicContact CG-CB 4.13Å; P52-V55 HydrophobicContact CG-CG2 3.7Å; P52-V55 WeakPolarHBondContact O-CB 3.37Å; P52-V55 PolarHBondContact O-N 3.28Å; P52-I56 PolarHBondContact O-N 2.94Å; P52-I56 VanDerWaalsContact O-N 3.12Å
53I94.6Very high95.8Very high36 Ų3655.7 Ų55.719%0.18527%0.271CS..Hα-helixtrans-57.6-38.3-172-174.4165.9000112.5M1 V55 I56 E57 Y71M1-I53 HydrophobicContact CE-CB 4.41Å; M1-I53 HydrophobicContact CE-CD1 3.27Å; M1-I53 HydrophobicContact CE-CG1 4.39Å; M1-I53 HydrophobicContact CE-CG2 4.25Å; M1-I53 HydrophobicContact SD-CB 4.28Å; M1-I53 HydrophobicContact SD-CD1 3.58Å; M1-I53 VanDerWaalsContact SD-CD1 3.58Å; M1-I53 HydrophobicContact SD-CG1 4.44Å; I53-V55 PolarHBondContact O-N 3.02Å; I53-I56 CarbonylContact O-C 3.33Å; I53-I56 PolarHBondContact O-N 2.67Å; I53-E57 HydrophobicContact CG1-CG 3.89Å; I53-E57 WeakPolarHBondContact O-CB 3.08Å; I53-E57 WeakPolarHBondContact O-CG 3.22Å; I53-E57 PolarHBondContact O-N 2.76Å; I53-Y71 VanDerWaalsContact CA-OH 3.32Å; I53-Y71 WeakPolarHBondContact CA-OH 3.25Å; I53-Y71 PolarHBondContact N-OH 3.41Å
54E94.9Very high95.6Very high112 Ų11258.2 Ų58.252%0.52330%0.299SS..Hα-helixtrans-64.9-26.6-179-52.181.8-179.800112P52 K58P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 WeakPolarHBondContact CB-OE2 3.19Å; P52-E54 PolarHBondContact O-N 3.42Å; E54-K58 WeakPolarHBondContact O-CD 3.39Å; E54-K58 VanDerWaalsContact O-CG 3.28Å; E54-K58 WeakPolarHBondContact O-CG 3.33Å; E54-K58 PolarHBondContact O-N 3.37Å
55V95.8Very high95.5Very high12 Ų1261.6 Ų61.67%0.07331%0.312CS..Hα-helixtrans-77.5-46.4173.1173.90000109.8L34 L36 Y44 A51 P52 I53 E57 K58 I59L34-V55 HydrophobicContact CD1-CG1 4.34Å; L36-V55 HydrophobicContact CD1-CG1 3.86Å; L36-V55 HydrophobicContact CD1-CG2 3.87Å; L36-V55 HydrophobicContact CD2-CG2 4.46Å; Y44-V55 HydrophobicContact CD2-CG1 4.46Å; Y44-V55 HydrophobicContact CE2-CG1 4.37Å; Y44-V55 HydrophobicContact CE2-CG2 4.45Å; A51-V55 HydrophobicContact CB-CG1 4.46Å; P52-V55 HydrophobicContact CG-CB 4.13Å; P52-V55 HydrophobicContact CG-CG2 3.7Å; P52-V55 WeakPolarHBondContact O-CB 3.37Å; P52-V55 PolarHBondContact O-N 3.28Å; I53-V55 PolarHBondContact O-N 3.02Å; V55-E57 PolarHBondContact O-N 3.28Å; V55-K58 PolarHBondContact O-N 3.37Å; V55-I59 HydrophobicContact CG1-CD1 3.86Å; V55-I59 VanDerWaalsContact O-CG1 3.27Å; V55-I59 WeakPolarHBondContact O-CG1 3.42Å; V55-I59 PolarHBondContact O-N 3.09Å
56I97.3Very high95.5Very high0 Ų064.1 Ų64.10%033%0.33CS..Hα-helixtrans-61.6-43.6178.2-65.7-54.8000111.5V12 L16 A51 P52 I53 K58 I59 A60 V67 F70 Y71V12-I56 HydrophobicContact CG1-CD1 4.36Å; L16-I56 HydrophobicContact CD2-CD1 3.93Å; A51-I56 HydrophobicContact CB-CD1 3.65Å; A51-I56 HydrophobicContact CB-CG1 3.97Å; P52-I56 PolarHBondContact O-N 2.94Å; P52-I56 VanDerWaalsContact O-N 3.12Å; I53-I56 CarbonylContact O-C 3.33Å; I53-I56 PolarHBondContact O-N 2.67Å; I56-K58 VanDerWaalsContact C-N 3.32Å; I56-K58 PolarHBondContact O-N 2.91Å; I56-I59 PolarHBondContact O-N 3.14Å; I56-I59 VanDerWaalsContact O-N 3.12Å; I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.17Å; I56-A60 PolarHBondContact O-N 2.8Å; I56-V67 HydrophobicContact CG2-CB 4.33Å; I56-V67 HydrophobicContact CG2-CG1 3.93Å; I56-V67 HydrophobicContact CG2-CG2 4.38Å; I56-F70 HydrophobicContact CD1-CB 4.14Å; I56-F70 HydrophobicContact CD1-CD1 4.49Å; I56-F70 HydrophobicContact CD1-CG 4.34Å; I56-F70 HydrophobicContact CG2-CB 3.7Å; I56-F70 HydrophobicContact CG2-CD2 3.96Å; I56-F70 HydrophobicContact CG2-CG 4.02Å; I56-Y71 HydrophobicContact CB-CE2 4.2Å; I56-Y71 HydrophobicContact CG1-CE1 4.07Å; I56-Y71 HydrophobicContact CG1-CE2 4.11Å; I56-Y71 WeakPolarHBondContact CG1-OH 3.38Å; I56-Y71 HydrophobicContact CG2-CD2 4.47Å; I56-Y71 HydrophobicContact CG2-CE2 4.03Å
57E96.1Very high95.5Very high81 Ų8160.9 Ų60.938%0.37932%0.317SS..Hα-helixtrans-58.9-40.2176.2-75.6178.6165.500112.8I53 V55 K61 V67I53-E57 HydrophobicContact CG1-CG 3.89Å; I53-E57 WeakPolarHBondContact O-CB 3.08Å; I53-E57 WeakPolarHBondContact O-CG 3.22Å; I53-E57 PolarHBondContact O-N 2.76Å; V55-E57 PolarHBondContact O-N 3.28Å; E57-K61 VanDerWaalsContact O-CG 3.32Å; E57-K61 WeakPolarHBondContact O-CG 3.29Å; E57-K61 PolarHBondContact O-N 2.93Å; E57-K61 VanDerWaalsContact O-N 3.08Å; E57-V67 HydrophobicContact CG-CG2 4.01Å
58K96Very high95.5Very high105 Ų10560.8 Ų60.846%0.45732%0.316SS..Hα-helixtrans-65-43.3175-75.3173.7-177.21780111.1L34 E54 V55 I56 K61 I62L34-K58 HydrophobicContact CD2-CB 3.82Å; E54-K58 WeakPolarHBondContact O-CD 3.39Å; E54-K58 VanDerWaalsContact O-CG 3.28Å; E54-K58 WeakPolarHBondContact O-CG 3.33Å; E54-K58 PolarHBondContact O-N 3.37Å; V55-K58 PolarHBondContact O-N 3.37Å; I56-K58 VanDerWaalsContact C-N 3.32Å; I56-K58 PolarHBondContact O-N 2.91Å; K58-K61 PolarHBondContact O-N 2.78Å; K58-I62 WeakPolarHBondContact O-CD1 3.43Å; K58-I62 VanDerWaalsContact O-CG1 3.29Å; K58-I62 WeakPolarHBondContact O-CG1 3.14Å; K58-I62 PolarHBondContact O-N 3.39Å
59I95.2Very high95.5Very high2 Ų254.2 Ų54.21%0.0129%0.29CS..Hα-helixtrans-67.1-43.6179.4-60.8169.5000110.2L16 I19 F30 L34 V55 I56 K61 I62 S63 F70L16-I59 HydrophobicContact CD2-CD1 3.36Å; L16-I59 HydrophobicContact CD2-CG2 4.45Å; I19-I59 HydrophobicContact CG2-CG2 4.24Å; F30-I59 HydrophobicContact CE2-CG1 4.41Å; F30-I59 HydrophobicContact CE2-CG2 4.34Å; F30-I59 HydrophobicContact CZ-CD1 4Å; F30-I59 HydrophobicContact CZ-CG1 4.3Å; F30-I59 HydrophobicContact CZ-CG2 4.16Å; L34-I59 HydrophobicContact CD1-CD1 3.61Å; L34-I59 HydrophobicContact CD1-CG1 3.55Å; L34-I59 HydrophobicContact CD2-CD1 4.39Å; L34-I59 HydrophobicContact CD2-CG1 3.43Å; L34-I59 VanDerWaalsContact CD2-CG1 3.43Å; L34-I59 HydrophobicContact CG-CG1 4.11Å; V55-I59 HydrophobicContact CG1-CD1 3.86Å; V55-I59 VanDerWaalsContact O-CG1 3.27Å; V55-I59 WeakPolarHBondContact O-CG1 3.42Å; V55-I59 PolarHBondContact O-N 3.09Å; I56-I59 PolarHBondContact O-N 3.14Å; I56-I59 VanDerWaalsContact O-N 3.12Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 2.96Å; I59-I62 PolarHBondContact O-N 3.22Å; I59-S63 WeakPolarHBondContact O-CB 3.17Å; I59-S63 PolarHBondContact O-N 2.97Å; I59-S63 PolarHBondContact O-OG 3.44Å; I59-S63 VanDerWaalsContact O-OG 3.09Å; I59-F70 HydrophobicContact CB-CZ 4.27Å; I59-F70 HydrophobicContact CG2-CE1 3.81Å; I59-F70 HydrophobicContact CG2-CE2 4.06Å; I59-F70 HydrophobicContact CG2-CZ 3.38Å
60A95.8Very high95.5Very high12 Ų1249.8 Ų49.810%0.09927%0.266CS..Hα-helixtrans-53.8-46.117500000112.2I56 I62 S63 G64 R65 V67 F70I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.17Å; I56-A60 PolarHBondContact O-N 2.8Å; A60-I62 VanDerWaalsContact C-N 3.3Å; A60-I62 PolarHBondContact O-N 2.88Å; A60-S63 PolarHBondContact O-N 3.35Å; A60-G64 WeakPolarHBondContact O-CA 3.41Å; A60-G64 PolarHBondContact O-N 2.91Å; A60-R65 VanDerWaalsContact CA-O 3.24Å; A60-R65 WeakPolarHBondContact CA-O 3.46Å; A60-R65 WeakPolarHBondContact CB-O 3.49Å; A60-V67 HydrophobicContact CB-CG2 4.14Å; A60-F70 HydrophobicContact CB-CD2 4.46Å; A60-F70 HydrophobicContact CB-CE2 4.22Å
61K95.2Very high95.6Very high174 Ų17447 Ų4776%0.75725%0.251SS*.Hα-helixtrans-62.4-34.2175.3-72.7171.1-175.1172.70113.3E57 K58 I59E57-K61 VanDerWaalsContact O-CG 3.32Å; E57-K61 WeakPolarHBondContact O-CG 3.29Å; E57-K61 PolarHBondContact O-N 2.93Å; E57-K61 VanDerWaalsContact O-N 3.08Å; K58-K61 PolarHBondContact O-N 2.78Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 2.96Å
62I92.5Very high95.6Very high74 Ų7447.6 Ų47.638%0.37925%0.253SS..Hα-helixtrans-80.3-39.2-178.9-66.2165000111.3M23 R33 L34 K58 I59 A60M23-I62 HydrophobicContact CE-CG2 3.53Å; M23-I62 HydrophobicContact SD-CG2 4.2Å; R33-I62 HydrophobicContact CB-CD1 4.44Å; L34-I62 HydrophobicContact CD2-CD1 3.97Å; K58-I62 WeakPolarHBondContact O-CD1 3.43Å; K58-I62 VanDerWaalsContact O-CG1 3.29Å; K58-I62 WeakPolarHBondContact O-CG1 3.14Å; K58-I62 PolarHBondContact O-N 3.39Å; I59-I62 PolarHBondContact O-N 3.22Å; A60-I62 VanDerWaalsContact C-N 3.3Å; A60-I62 PolarHBondContact O-N 2.88Å
63S93.4Very high95.7Very high35 Ų3545.3 Ų45.325%0.24524%0.239CC..Hα-helixtrans-90.3-18.2-174.168.80000114.2I59 A60 R65I59-S63 WeakPolarHBondContact O-CB 3.17Å; I59-S63 PolarHBondContact O-N 2.97Å; I59-S63 PolarHBondContact O-OG 3.44Å; I59-S63 VanDerWaalsContact O-OG 3.09Å; A60-S63 PolarHBondContact O-N 3.35Å; S63-R65 PolarHBondContact O-N 3.26Å; S63-R65 PolarHBondContact OG-N 3.45Å
64G93.3Very high95.8Very high71 Ų7147.8 Ų47.873%0.73225%0.252SS*.  trans74.96.4-172.200000114.2A60A60-G64 WeakPolarHBondContact O-CA 3.41Å; A60-G64 PolarHBondContact O-N 2.91Å
65R95.7Very high95.8Very high105 Ų10543.4 Ų43.440%0.39623%0.233SC..  trans-87.6150.8173.3-59.5-65.2-174.2170.61.5110.5I19 A60 S63 W69 F70I19-R65 HydrophobicContact CD1-CG 3.84Å; A60-R65 VanDerWaalsContact CA-O 3.24Å; A60-R65 WeakPolarHBondContact CA-O 3.46Å; A60-R65 WeakPolarHBondContact CB-O 3.49Å; S63-R65 PolarHBondContact O-N 3.26Å; S63-R65 PolarHBondContact OG-N 3.45Å; R65-W69 HydrophobicContact CB-CD2 4.33Å; R65-W69 HydrophobicContact CB-CE3 3.85Å; R65-W69 HydrophobicContact CB-CZ3 4.44Å; R65-W69 HydrophobicContact CG-CD2 4.38Å; R65-W69 HydrophobicContact CG-CE3 3.94Å; R65-W69 HydrophobicContact CG-CZ3 4.14Å; R65-F70 HydrophobicContact CB-CD2 4.47Å; R65-F70 HydrophobicContact CB-CE2 3.8Å; R65-F70 HydrophobicContact CB-CZ 4.27Å
66S95.6Very high95.8Very high61 Ų6145.8 Ų45.843%0.42724%0.243SC..  trans-72.2158177.468.20000112.1G68 W69 F70S66-G68 VanDerWaalsContact C-N 3.29Å; S66-G68 PolarHBondContact O-N 3.35Å; S66-W69 PolarHBondContact O-N 2.92Å; S66-W69 WeakPolarHBondContact OG-CB 3.36Å; S66-W69 PolarHBondContact OG-N 3.22Å; S66-W69 VanDerWaalsContact OG-N 3.12Å; S66-F70 WeakPolarHBondContact O-CD2 3.45Å; S66-F70 PolarHBondContact O-N 3.28Å
67V96.3Very high95.8Very high31 Ų3148.6 Ų48.619%0.18826%0.256CS..Hα-helixtrans-59.7-42.3172.9172.90000110.7I56 E57 A60 W69 F70 Y71 V120I56-V67 HydrophobicContact CG2-CB 4.33Å; I56-V67 HydrophobicContact CG2-CG1 3.93Å; I56-V67 HydrophobicContact CG2-CG2 4.38Å; E57-V67 HydrophobicContact CG-CG2 4.01Å; A60-V67 HydrophobicContact CB-CG2 4.14Å; V67-W69 VanDerWaalsContact C-N 3.33Å; V67-W69 PolarHBondContact O-N 2.99Å; V67-F70 PolarHBondContact O-N 2.92Å; V67-Y71 HydrophobicContact CG1-CD2 3.86Å; V67-Y71 HydrophobicContact CG1-CE2 3.78Å; V67-Y71 WeakPolarHBondContact O-CD2 3.12Å; V67-Y71 PolarHBondContact O-N 3.38Å; V67-V120 HydrophobicContact CG1-CG1 3.99Å
68G95.5Very high95.9Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-59.7-40.2177.200000113S66 F70 Y71 F72S66-G68 VanDerWaalsContact C-N 3.29Å; S66-G68 PolarHBondContact O-N 3.35Å; G68-F70 VanDerWaalsContact C-N 3.31Å; G68-F70 PolarHBondContact O-N 3.16Å; G68-Y71 PolarHBondContact O-N 2.89Å; G68-Y71 VanDerWaalsContact O-N 3.13Å; G68-F72 PolarHBondContact O-N 3.11Å
69W97.7Very high96Very high21 Ų2140 Ų408%0.0822%0.217CC..Hα-helixtrans-61.2-38.9178.1-177.486.9000112.5R15 I19 R65 S66 V67 Y71 G73 D74 Y122R15-W69 HydrophobicContact CB-CH2 4.01Å; R15-W69 HydrophobicContact CB-CZ3 3.89Å; R15-W69 WeakPolarHBondContact CD-O 3.41Å; R15-W69 HydrophobicContact CG-CH2 4.13Å; R15-W69 HydrophobicContact CG-CZ3 4.32Å; I19-W69 HydrophobicContact CD1-CH2 4.23Å; I19-W69 HydrophobicContact CD1-CZ3 4.03Å; I19-W69 HydrophobicContact CG1-CH2 4.35Å; I19-W69 HydrophobicContact CG1-CZ3 3.98Å; R65-W69 HydrophobicContact CB-CD2 4.33Å; R65-W69 HydrophobicContact CB-CE3 3.85Å; R65-W69 HydrophobicContact CB-CZ3 4.44Å; R65-W69 HydrophobicContact CG-CD2 4.38Å; R65-W69 HydrophobicContact CG-CE3 3.94Å; R65-W69 HydrophobicContact CG-CZ3 4.14Å; S66-W69 PolarHBondContact O-N 2.92Å; S66-W69 WeakPolarHBondContact OG-CB 3.36Å; S66-W69 PolarHBondContact OG-N 3.22Å; S66-W69 VanDerWaalsContact OG-N 3.12Å; V67-W69 VanDerWaalsContact C-N 3.33Å; V67-W69 PolarHBondContact O-N 2.99Å; W69-Y71 PolarHBondContact O-N 3.2Å; W69-G73 VanDerWaalsContact O-CA 3.25Å; W69-G73 WeakPolarHBondContact O-CA 3.35Å; W69-G73 PolarHBondContact O-N 3.33Å; W69-D74 VanDerWaalsContact CD1-OD1 3.29Å; W69-D74 PolarHBondContact NE1-OD1 2.89Å; W69-Y122 WeakPolarHBondContact CA-OH 3.38Å; W69-Y122 PolarHBondContact N-OH 3.03Å
70F97.4Very high96.1Very high0 Ų041.3 Ų41.30%023%0.226CC..Hα-helixtrans-63.6-43.3175.5-80.2-75000112.3V12 R15 L16 I19 I56 I59 A60 R65 S66 V67 G68V12-F70 WeakPolarHBondContact CG2-O 3.41Å; R15-F70 HydrophobicContact CB-CD1 4.37Å; R15-F70 WeakPolarHBondContact CD-O 3.23Å; R15-F70 PolarHBondContact NH1-O 3.4Å; L16-F70 HydrophobicContact CD2-CD1 3.96Å; L16-F70 HydrophobicContact CD2-CE1 3.96Å; I19-F70 HydrophobicContact CB-CE1 4.45Å; I19-F70 HydrophobicContact CD1-CZ 4.38Å; I19-F70 HydrophobicContact CG1-CE1 3.71Å; I19-F70 HydrophobicContact CG1-CZ 3.77Å; I56-F70 HydrophobicContact CD1-CB 4.14Å; I56-F70 HydrophobicContact CD1-CD1 4.49Å; I56-F70 HydrophobicContact CD1-CG 4.34Å; I56-F70 HydrophobicContact CG2-CB 3.7Å; I56-F70 HydrophobicContact CG2-CD2 3.96Å; I56-F70 HydrophobicContact CG2-CG 4.02Å; I59-F70 HydrophobicContact CB-CZ 4.27Å; I59-F70 HydrophobicContact CG2-CE1 3.81Å; I59-F70 HydrophobicContact CG2-CE2 4.06Å; I59-F70 HydrophobicContact CG2-CZ 3.38Å; A60-F70 HydrophobicContact CB-CD2 4.46Å; A60-F70 HydrophobicContact CB-CE2 4.22Å; R65-F70 HydrophobicContact CB-CD2 4.47Å; R65-F70 HydrophobicContact CB-CE2 3.8Å; R65-F70 HydrophobicContact CB-CZ 4.27Å; S66-F70 WeakPolarHBondContact O-CD2 3.45Å; S66-F70 PolarHBondContact O-N 3.28Å; V67-F70 PolarHBondContact O-N 2.92Å; G68-F70 VanDerWaalsContact C-N 3.31Å; G68-F70 PolarHBondContact O-N 3.16Å
71Y97Very high96.2Very high6 Ų642.6 Ų42.62%0.02423%0.231CC..Hα-helixtrans-76.3-42.9-176.9-75.7-55.7000113.2F2 P7 V12 R15 L50 A51 I53 I56 V67 G68 W69F2-Y71 HydrophobicContact CE1-CD2 4.07Å; F2-Y71 HydrophobicContact CE1-CE2 4.35Å; F2-Y71 HydrophobicContact CE1-CG 4.19Å; F2-Y71 HydrophobicContact CZ-CD1 4.25Å; F2-Y71 HydrophobicContact CZ-CD2 4.14Å; F2-Y71 HydrophobicContact CZ-CE1 4.15Å; F2-Y71 HydrophobicContact CZ-CE2 4.01Å; F2-Y71 HydrophobicContact CZ-CG 4.26Å; P7-Y71 HydrophobicContact CB-CD1 3.62Å; P7-Y71 HydrophobicContact CB-CE1 4.48Å; P7-Y71 HydrophobicContact CB-CG 4.24Å; P7-Y71 HydrophobicContact CG-CD1 3.69Å; P7-Y71 HydrophobicContact CG-CE1 4.44Å; P7-Y71 HydrophobicContact CG-CG 4.03Å; V12-Y71 HydrophobicContact CG2-CD1 4.04Å; R15-Y71 PolarHBondContact NH1-O 3.26Å; L50-Y71 HydrophobicContact CD1-CD1 4.29Å; L50-Y71 HydrophobicContact CD1-CE1 4.06Å; L50-Y71 HydrophobicContact CD2-CE1 4.44Å; L50-Y71 HydrophobicContact CG-CE1 4.3Å; A51-Y71 PolarHBondContact O-OH 2.8Å; I53-Y71 VanDerWaalsContact CA-OH 3.32Å; I53-Y71 WeakPolarHBondContact CA-OH 3.25Å; I53-Y71 PolarHBondContact N-OH 3.41Å; I56-Y71 HydrophobicContact CB-CE2 4.2Å; I56-Y71 HydrophobicContact CG1-CE1 4.07Å; I56-Y71 HydrophobicContact CG1-CE2 4.11Å; I56-Y71 WeakPolarHBondContact CG1-OH 3.38Å; I56-Y71 HydrophobicContact CG2-CD2 4.47Å; I56-Y71 HydrophobicContact CG2-CE2 4.03Å; V67-Y71 HydrophobicContact CG1-CD2 3.86Å; V67-Y71 HydrophobicContact CG1-CE2 3.78Å; V67-Y71 WeakPolarHBondContact O-CD2 3.12Å; V67-Y71 PolarHBondContact O-N 3.38Å; G68-Y71 PolarHBondContact O-N 2.89Å; G68-Y71 VanDerWaalsContact O-N 3.13Å; W69-Y71 PolarHBondContact O-N 3.2Å
72F96.8Very high96.3Very high12 Ų1234.4 Ų34.45%0.05320%0.195CC..Hα-helixtrans-121.4-13.2-166.5-60.1-64.7000114.7F2 L5 P7 R15 G68 Y78 V120 Y122F2-F72 HydrophobicContact CD1-CE2 4.04Å; F2-F72 AromaticContact CD1-CZ 3.67Å; F2-F72 HydrophobicContact CD1-CZ 3.67Å; F2-F72 HydrophobicContact CE1-CE2 4.16Å; F2-F72 HydrophobicContact CE1-CZ 4.08Å; L5-F72 HydrophobicContact CD2-CD1 4.25Å; L5-F72 HydrophobicContact CD2-CE1 4.43Å; L5-F72 HydrophobicContact CG-CD1 4.5Å; L5-F72 HydrophobicContact CG-CE1 4.26Å; P7-F72 HydrophobicContact CB-CE1 4.39Å; P7-F72 HydrophobicContact CG-CE1 3.9Å; P7-F72 HydrophobicContact CG-CZ 3.78Å; R15-F72 PolarHBondContact NH2-O 2.8Å; R15-F72 VanDerWaalsContact NH2-O 3.11Å; G68-F72 PolarHBondContact O-N 3.11Å; F72-Y78 HydrophobicContact CB-CD2 3.7Å; F72-Y78 HydrophobicContact CB-CG 4.34Å; F72-Y78 AromaticContact CD1-CD2 3.72Å; F72-Y78 HydrophobicContact CD1-CD2 3.72Å; F72-Y78 HydrophobicContact CD1-CE2 4.05Å; F72-Y78 HydrophobicContact CD2-CD2 4.14Å; F72-Y78 HydrophobicContact CD2-CE2 4.25Å; F72-Y78 HydrophobicContact CE1-CD2 4.36Å; F72-Y78 HydrophobicContact CE1-CE2 4.24Å; F72-Y78 HydrophobicContact CE2-CE2 4.43Å; F72-Y78 AromaticContact CG-CD2 3.58Å; F72-Y78 HydrophobicContact CG-CD2 3.58Å; F72-Y78 HydrophobicContact CG-CE2 4.05Å; F72-Y78 HydrophobicContact CZ-CE2 4.42Å; F72-V120 HydrophobicContact CD2-CG2 4.3Å; F72-V120 HydrophobicContact CE2-CG2 4.21Å; F72-Y122 HydrophobicContact CB-CD1 4.46Å; F72-Y122 HydrophobicContact CB-CE1 4.1Å
73G97.1Very high96.5Very high1 Ų130.9 Ų30.91%0.0118%0.177CC..  trans81.9-152.5-176.900000110.8R15 W69 E77 Y122R15-G73 VanDerWaalsContact CZ-CA 3.4Å; R15-G73 VanDerWaalsContact NH2-CA 3.32Å; R15-G73 VanDerWaalsContact NH2-N 3.2Å; W69-G73 VanDerWaalsContact O-CA 3.25Å; W69-G73 WeakPolarHBondContact O-CA 3.35Å; W69-G73 PolarHBondContact O-N 3.33Å; G73-E77 WeakPolarHBondContact CA-OE2 3.45Å; G73-Y122 WeakPolarHBondContact O-CE1 3.33Å; G73-Y122 PolarHBondContact O-OH 3.47Å
74D96.3Very high96.7Very high88 Ų8834.5 Ų34.547%0.47119%0.188SC..SBendtrans-70.7163.1177.2-58.3-48.2000111.1W69 E76 E77 Y78W69-D74 VanDerWaalsContact CD1-OD1 3.29Å; W69-D74 PolarHBondContact NE1-OD1 2.89Å; D74-E76 VanDerWaalsContact C-N 3.25Å; D74-E76 PolarHBondContact O-N 2.9Å; D74-E77 WeakPolarHBondContact O-CB 3.45Å; D74-E77 PolarHBondContact O-N 2.99Å; D74-Y78 PolarHBondContact O-N 3.23Å
75I95.3Very high96.8Very high21 Ų2135.7 Ų35.711%0.10818%0.177CC..Hα-helixtrans-62.4-36.1-176.4-76.8161.4000111.2E77 Y78 I79 K103 F106 F107 Y122 P123I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 3.47Å; I75-Y78 WeakPolarHBondContact O-CB 3.33Å; I75-Y78 PolarHBondContact O-N 3.11Å; I75-I79 HydrophobicContact CG2-CD1 3.62Å; I75-I79 HydrophobicContact CG2-CG1 4.29Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.41Å; I75-K103 HydrophobicContact CG2-CB 4.46Å; I75-K103 HydrophobicContact CG2-CG 4.16Å; I75-F106 HydrophobicContact CD1-CE1 4.22Å; I75-F107 HydrophobicContact CD1-CE1 4.16Å; I75-F107 HydrophobicContact CD1-CE2 3.65Å; I75-F107 HydrophobicContact CD1-CZ 3.19Å; I75-Y122 HydrophobicContact CB-CE1 4.48Å; I75-Y122 HydrophobicContact CG1-CD1 3.76Å; I75-Y122 HydrophobicContact CG1-CE1 3.68Å; I75-Y122 HydrophobicContact CG1-CG 4.27Å; I75-P123 HydrophobicContact CG2-CG 4.5Å
76E97.2Very high96.8Very high61 Ų6134.9 Ų34.929%0.28518%0.177SC..Hα-helixtrans-58.7-41.6172.4-62.993.9138.400112D74 T80 V99 K103D74-E76 VanDerWaalsContact C-N 3.25Å; D74-E76 PolarHBondContact O-N 2.9Å; E76-T80 WeakPolarHBondContact O-CB 3.3Å; E76-T80 PolarHBondContact O-N 2.88Å; E76-T80 PolarHBondContact O-OG1 2.91Å; E76-V99 HydrophobicContact CB-CG1 3.92Å; E76-V99 HydrophobicContact CG-CG1 4.29Å; E76-K103 VanDerWaalsContact CD-CD 3.43Å; E76-K103 VanDerWaalsContact CD-NZ 3.27Å; E76-K103 HydrophobicContact CG-CD 3.69Å; E76-K103 IonicContact OE1-NZ 2.65Å; E76-K103 PolarHBondContact OE1-NZ 3.17Å; E76-K103 IonicContact OE2-NZ 2.61Å
77E97Very high96.7Very high59 Ų5934.9 Ų34.928%0.27619%0.187SC..Hα-helixtrans-65.7-42.8177.9-171.9-179.4177.800110.5K11 R15 G73 D74 I75 T80 D81K11-E77 WeakPolarHBondContact CD-OE1 3.38Å; K11-E77 WeakPolarHBondContact CE-OE1 3Å; K11-E77 IonicContact NZ-OE1 2.75Å; K11-E77 PolarHBondContact NZ-OE1 3.02Å; R15-E77 IonicContact CZ-OE2 3.84Å; R15-E77 IonicContact NH2-OE1 3.37Å; R15-E77 PolarHBondContact NH2-OE1 3.32Å; R15-E77 IonicContact NH2-OE2 2.68Å; R15-E77 PolarHBondContact NH2-OE2 3.48Å; G73-E77 WeakPolarHBondContact CA-OE2 3.45Å; D74-E77 WeakPolarHBondContact O-CB 3.45Å; D74-E77 PolarHBondContact O-N 2.99Å; I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 3.47Å; E77-T80 PolarHBondContact O-N 3.08Å; E77-D81 VanDerWaalsContact O-CB 3.32Å; E77-D81 WeakPolarHBondContact O-CB 3.37Å; E77-D81 PolarHBondContact O-N 3.18Å
78Y97.4Very high96.7Very high5 Ų535.6 Ų35.62%0.0219%0.188CC..Hα-helixtrans-60.8-50.6176.6175.8-100.6000112.5L5 F72 D74 I75 T80 D81 Y82 N118 Y122 P123 I128L5-Y78 HydrophobicContact CD2-CD2 3.59Å; L5-Y78 HydrophobicContact CD2-CE2 3.74Å; L5-Y78 HydrophobicContact CD2-CG 4.41Å; F72-Y78 HydrophobicContact CB-CD2 3.7Å; F72-Y78 HydrophobicContact CB-CG 4.34Å; F72-Y78 AromaticContact CD1-CD2 3.72Å; F72-Y78 HydrophobicContact CD1-CD2 3.72Å; F72-Y78 HydrophobicContact CD1-CE2 4.05Å; F72-Y78 HydrophobicContact CD2-CD2 4.14Å; F72-Y78 HydrophobicContact CD2-CE2 4.25Å; F72-Y78 HydrophobicContact CE1-CD2 4.36Å; F72-Y78 HydrophobicContact CE1-CE2 4.24Å; F72-Y78 HydrophobicContact CE2-CE2 4.43Å; F72-Y78 AromaticContact CG-CD2 3.58Å; F72-Y78 HydrophobicContact CG-CD2 3.58Å; F72-Y78 HydrophobicContact CG-CE2 4.05Å; F72-Y78 HydrophobicContact CZ-CE2 4.42Å; D74-Y78 PolarHBondContact O-N 3.23Å; I75-Y78 WeakPolarHBondContact O-CB 3.33Å; I75-Y78 PolarHBondContact O-N 3.11Å; Y78-T80 VanDerWaalsContact C-N 3.34Å; Y78-T80 PolarHBondContact O-N 3.44Å; Y78-D81 PolarHBondContact O-N 3.14Å; Y78-Y82 WeakPolarHBondContact O-CB 3.49Å; Y78-Y82 PolarHBondContact O-N 3.29Å; Y78-N118 PolarHBondContact OH-ND2 3.06Å; Y78-Y122 AromaticContact CD1-CD1 3.85Å; Y78-Y122 HydrophobicContact CD1-CD1 3.85Å; Y78-Y122 HydrophobicContact CD2-CD1 4.08Å; Y78-Y122 AromaticContact CG-CD1 3.58Å; Y78-Y122 HydrophobicContact CG-CD1 3.58Å; Y78-Y122 HydrophobicContact CG-CE1 4.3Å; Y78-P123 HydrophobicContact CD1-CG 4.06Å; Y78-P123 HydrophobicContact CE1-CG 3.97Å; Y78-P123 VanDerWaalsContact CE1-O 3.23Å; Y78-P123 WeakPolarHBondContact CE1-O 3.43Å; Y78-P123 PolarHBondContact OH-O 3.49Å; Y78-P123 VanDerWaalsContact OH-O 3.11Å; Y78-I128 HydrophobicContact CD1-CD1 4.2Å; Y78-I128 HydrophobicContact CE1-CD1 3.77Å
79I97.6Very high96.6Very high0 Ų036.6 Ų36.60%020%0.199CC..Hα-helixtrans-60.7-45.8177.6-66.4162.3000110.1I75 Y82 L83 V99 I102 K103 P123 I128I75-I79 HydrophobicContact CG2-CD1 3.62Å; I75-I79 HydrophobicContact CG2-CG1 4.29Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.41Å; I79-Y82 PolarHBondContact O-N 3.26Å; I79-L83 HydrophobicContact CG2-CD1 3.94Å; I79-L83 HydrophobicContact CG2-CG 4.41Å; I79-L83 WeakPolarHBondContact O-CB 3.42Å; I79-L83 WeakPolarHBondContact O-CG 3.32Å; I79-L83 PolarHBondContact O-N 3.28Å; I79-V99 HydrophobicContact CB-CG1 4.2Å; I79-V99 HydrophobicContact CG2-CB 4.49Å; I79-V99 HydrophobicContact CG2-CG1 4.12Å; I79-V99 HydrophobicContact CG2-CG2 4.41Å; I79-I102 HydrophobicContact CD1-CB 4.19Å; I79-I102 HydrophobicContact CD1-CG2 3.72Å; I79-I102 HydrophobicContact CG1-CG2 4.09Å; I79-I102 HydrophobicContact CG2-CB 4.19Å; I79-I102 HydrophobicContact CG2-CD1 3.72Å; I79-I102 HydrophobicContact CG2-CG2 4.03Å; I79-K103 HydrophobicContact CD1-CB 3.98Å; I79-P123 HydrophobicContact CD1-CG 4.47Å; I79-P123 HydrophobicContact CG1-CG 4.19Å; I79-I128 HydrophobicContact CG1-CD1 4.15Å; I79-I128 HydrophobicContact CG1-CG1 4.49Å; I79-I128 HydrophobicContact CG2-CG2 4.46Å
80T98Very high96.5Very high31 Ų3141.5 Ų41.519%0.1922%0.222CC..Hα-helixtrans-59.6-49.6178.5-63.60000112E76 E77 Y78 Y82 L83 K84 I92 V99E76-T80 WeakPolarHBondContact O-CB 3.3Å; E76-T80 PolarHBondContact O-N 2.88Å; E76-T80 PolarHBondContact O-OG1 2.91Å; E77-T80 PolarHBondContact O-N 3.08Å; Y78-T80 VanDerWaalsContact C-N 3.34Å; Y78-T80 PolarHBondContact O-N 3.44Å; T80-Y82 VanDerWaalsContact C-N 3.32Å; T80-Y82 PolarHBondContact O-N 2.51Å; T80-L83 PolarHBondContact O-N 2.83Å; T80-K84 HydrophobicContact CG2-CD 4.17Å; T80-K84 VanDerWaalsContact O-CG 3.3Å; T80-K84 WeakPolarHBondContact O-CG 3.41Å; T80-K84 PolarHBondContact O-N 2.95Å; T80-I92 HydrophobicContact CG2-CD1 3.83Å; T80-V99 WeakPolarHBondContact OG1-CG2 3.23Å
81D97.4Very high96.4Very high38 Ų3841.5 Ų41.520%0.20322%0.222CC..Hα-helixtrans-65.6-37.7-179.2-79.8-7.1000111.3L5 K11 E77 Y78 L85L5-D81 HydrophobicContact CD1-CB 4.27Å; L5-D81 HydrophobicContact CD2-CB 4.12Å; K11-D81 IonicContact NZ-OD1 3.05Å; K11-D81 PolarHBondContact NZ-OD1 3.23Å; K11-D81 IonicContact NZ-OD2 2.68Å; K11-D81 PolarHBondContact NZ-OD2 3.39Å; E77-D81 VanDerWaalsContact O-CB 3.32Å; E77-D81 WeakPolarHBondContact O-CB 3.37Å; E77-D81 PolarHBondContact O-N 3.18Å; Y78-D81 PolarHBondContact O-N 3.14Å; D81-L85 WeakPolarHBondContact O-CB 3.41Å; D81-L85 PolarHBondContact O-N 3.35Å
82Y97.8Very high96.4Very high2 Ų241.9 Ų41.91%0.00822%0.224CC..Hα-helixtrans-63.5-50.3174.7178.4-103.6000111.9L4 L5 Y78 I79 T80 K84 L85 K86 E125 I128 D129L4-Y82 HydrophobicContact CD2-CE2 4.27Å; L5-Y82 HydrophobicContact CB-CD2 4.24Å; Y78-Y82 WeakPolarHBondContact O-CB 3.49Å; Y78-Y82 PolarHBondContact O-N 3.29Å; I79-Y82 PolarHBondContact O-N 3.26Å; T80-Y82 VanDerWaalsContact C-N 3.32Å; T80-Y82 PolarHBondContact O-N 2.51Å; Y82-K84 VanDerWaalsContact C-N 3.31Å; Y82-K84 PolarHBondContact O-N 3.17Å; Y82-L85 WeakPolarHBondContact O-CA 3.27Å; Y82-L85 VanDerWaalsContact O-CB 3.32Å; Y82-L85 WeakPolarHBondContact O-CB 3.34Å; Y82-L85 PolarHBondContact O-N 3.43Å; Y82-K86 HydrophobicContact CD1-CG 4.37Å; Y82-K86 HydrophobicContact CE1-CD 4.48Å; Y82-K86 HydrophobicContact CE1-CG 3.91Å; Y82-K86 HydrophobicContact CE2-CD 4.26Å; Y82-K86 HydrophobicContact CE2-CG 4.15Å; Y82-K86 WeakPolarHBondContact O-CG 3.32Å; Y82-K86 PolarHBondContact O-N 3.25Å; Y82-K86 PolarHBondContact OH-NZ 2.75Å; Y82-E125 HydrophobicContact CD2-CB 4.45Å; Y82-E125 HydrophobicContact CD2-CG 3.87Å; Y82-E125 HydrophobicContact CE1-CB 4.5Å; Y82-E125 HydrophobicContact CE2-CB 3.68Å; Y82-E125 HydrophobicContact CE2-CG 3.5Å; Y82-E125 VanDerWaalsContact CE2-CG 3.5Å; Y82-I128 HydrophobicContact CD1-CB 3.91Å; Y82-I128 HydrophobicContact CD1-CD1 3.75Å; Y82-I128 HydrophobicContact CD1-CG1 4.45Å; Y82-I128 HydrophobicContact CD1-CG2 3.59Å; Y82-I128 HydrophobicContact CE1-CB 3.86Å; Y82-I128 HydrophobicContact CE1-CD1 4.37Å; Y82-I128 HydrophobicContact CE1-CG2 3.81Å; Y82-I128 HydrophobicContact CG-CD1 4.12Å; Y82-D129 VanDerWaalsContact CE1-OD1 3.27Å; Y82-D129 WeakPolarHBondContact CE1-OD1 3.39Å; Y82-D129 PolarHBondContact OH-OD1 3.44Å; Y82-D129 PolarHBondContact OH-OD2 3.33Å
83L97.5Very high96.3Very high1 Ų148.6 Ų48.61%0.00525%0.254CS..Hα-helixtrans-61.7-38.1178-71.6176.7000112.1I79 T80 L85 K86 G87 Q88 I92 V98 I102 I128 F132I79-L83 HydrophobicContact CG2-CD1 3.94Å; I79-L83 HydrophobicContact CG2-CG 4.41Å; I79-L83 WeakPolarHBondContact O-CB 3.42Å; I79-L83 WeakPolarHBondContact O-CG 3.32Å; I79-L83 PolarHBondContact O-N 3.28Å; T80-L83 PolarHBondContact O-N 2.83Å; L83-L85 PolarHBondContact O-N 3.04Å; L83-K86 CarbonylContact O-C 3.59Å; L83-K86 PolarHBondContact O-N 3.2Å; L83-G87 PolarHBondContact O-N 2.94Å; L83-Q88 HydrophobicContact CB-CB 4.21Å; L83-Q88 WeakPolarHBondContact O-CA 3.43Å; L83-Q88 WeakPolarHBondContact O-CB 3.45Å; L83-Q88 PolarHBondContact O-N 2.82Å; L83-I92 HydrophobicContact CB-CD1 4.49Å; L83-I92 HydrophobicContact CB-CG2 3.96Å; L83-I92 HydrophobicContact CD1-CG2 3.62Å; L83-I92 HydrophobicContact CG-CG2 4.44Å; L83-V98 HydrophobicContact CD1-CG1 4.16Å; L83-I102 HydrophobicContact CD1-CD1 3.77Å; L83-I128 HydrophobicContact CD2-CG2 3.96Å; L83-I128 HydrophobicContact CG-CG2 4.27Å; L83-F132 HydrophobicContact CD1-CD2 4.33Å; L83-F132 HydrophobicContact CD2-CB 4.37Å; L83-F132 HydrophobicContact CD2-CD2 3.76Å; L83-F132 HydrophobicContact CD2-CE2 4.15Å; L83-F132 HydrophobicContact CD2-CG 3.95Å
84K96.7Very high96.2Very high111 Ų11151.3 Ų51.348%0.48328%0.276SS..Hα-helixtrans-60-44.4171.5-74.9173.5-177.8167.60112.1T80 Y82 K86 G87 I92T80-K84 HydrophobicContact CG2-CD 4.17Å; T80-K84 VanDerWaalsContact O-CG 3.3Å; T80-K84 WeakPolarHBondContact O-CG 3.41Å; T80-K84 PolarHBondContact O-N 2.95Å; Y82-K84 VanDerWaalsContact C-N 3.31Å; Y82-K84 PolarHBondContact O-N 3.17Å; K84-K86 PolarHBondContact O-N 3.25Å; K84-G87 PolarHBondContact O-N 3.05Å; K84-I92 HydrophobicContact CD-CD1 4.23Å; K84-I92 HydrophobicContact CG-CD1 3.54Å
85L96.5Very high96.2Very high96 Ų9648.3 Ų48.350%0.50326%0.258SS..Hα-helixtrans-60.6-35.3177.2-179.363.9000111.6L4 L5 D81 Y82 L83 G87L4-L85 HydrophobicContact CD2-CD2 4.24Å; L4-L85 HydrophobicContact CG-CD2 3.88Å; L5-L85 HydrophobicContact CB-CD2 4.41Å; L5-L85 HydrophobicContact CD1-CD2 4.08Å; D81-L85 WeakPolarHBondContact O-CB 3.41Å; D81-L85 PolarHBondContact O-N 3.35Å; Y82-L85 WeakPolarHBondContact O-CA 3.27Å; Y82-L85 VanDerWaalsContact O-CB 3.32Å; Y82-L85 WeakPolarHBondContact O-CB 3.34Å; Y82-L85 PolarHBondContact O-N 3.43Å; L83-L85 PolarHBondContact O-N 3.04Å; L85-G87 PolarHBondContact O-N 2.7Å
86K95.1Very high96.2Very high87 Ų8751 Ų5138%0.37828%0.277SS..THydrogen-bonded Turntrans-76.72.5174.9-63-73-68.2-127.30113.9L4 Y82 L83 K84 Q88 D129L4-K86 HydrophobicContact CD2-CD 4Å; Y82-K86 HydrophobicContact CD1-CG 4.37Å; Y82-K86 HydrophobicContact CE1-CD 4.48Å; Y82-K86 HydrophobicContact CE1-CG 3.91Å; Y82-K86 HydrophobicContact CE2-CD 4.26Å; Y82-K86 HydrophobicContact CE2-CG 4.15Å; Y82-K86 WeakPolarHBondContact O-CG 3.32Å; Y82-K86 PolarHBondContact O-N 3.25Å; Y82-K86 PolarHBondContact OH-NZ 2.75Å; L83-K86 CarbonylContact O-C 3.59Å; L83-K86 PolarHBondContact O-N 3.2Å; K84-K86 PolarHBondContact O-N 3.25Å; K86-Q88 HydrophobicContact CB-CG 4.42Å; K86-D129 VanDerWaalsContact NZ-CG 3.31Å; K86-D129 IonicContact NZ-OD1 2.69Å; K86-D129 PolarHBondContact NZ-OD1 2.96Å; K86-D129 IonicContact NZ-OD2 3.93Å; K86-D129 PolarHBondContact NZ-OD2 3.28Å
87G93.9Very high96.1Very high62 Ų6251.5 Ų51.564%0.63928%0.28SS*.THydrogen-bonded Turntrans86.16.7178.800000114.6L83 K84 L85 G89L83-G87 PolarHBondContact O-N 2.94Å; K84-G87 PolarHBondContact O-N 3.05Å; L85-G87 PolarHBondContact O-N 2.7Å; G87-G89 PolarHBondContact O-N 3.24Å
88Q95.1Very high96.1Very high45 Ų4548.7 Ų48.721%0.2127%0.266CS..  trans-88.319.9-177.8-52-61.1-700113.1L83 K86 E90 L91 I92 F132L83-Q88 HydrophobicContact CB-CB 4.21Å; L83-Q88 WeakPolarHBondContact O-CA 3.43Å; L83-Q88 WeakPolarHBondContact O-CB 3.45Å; L83-Q88 PolarHBondContact O-N 2.82Å; K86-Q88 HydrophobicContact CB-CG 4.42Å; Q88-E90 PolarHBondContact O-N 3.35Å; Q88-L91 PolarHBondContact O-N 3.49Å; Q88-I92 WeakPolarHBondContact O-CG1 3.38Å; Q88-I92 PolarHBondContact O-N 3.36Å; Q88-I92 VanDerWaalsContact O-N 3.08Å; Q88-F132 HydrophobicContact CB-CZ 4.17Å; Q88-F132 HydrophobicContact CG-CE1 3.88Å; Q88-F132 HydrophobicContact CG-CE2 4.44Å; Q88-F132 HydrophobicContact CG-CZ 3.66Å
89G94.9Very high96.1Very high22 Ų2249 Ų4923%0.22727%0.268CS..Hα-helixtrans-62.6-37-173.400000114.6G87 I92 K93G87-G89 PolarHBondContact O-N 3.24Å; G89-I92 WeakPolarHBondContact O-CG1 3.35Å; G89-K93 WeakPolarHBondContact O-CB 3.43Å; G89-K93 PolarHBondContact O-N 2.94Å
90E94.4Very high96.1Very high123 Ų12352.6 Ų52.658%0.57529%0.288SS*.Hα-helixtrans-74.4-34.8175.6-67.4-56.8131.600111.8Q88 K93 A94 F189Q88-E90 PolarHBondContact O-N 3.35Å; E90-K93 PolarHBondContact O-N 2.65Å; E90-K93 IonicContact OE2-NZ 3.61Å; E90-A94 PolarHBondContact O-N 2.71Å; E90-A94 VanDerWaalsContact O-N 3.09Å; E90-F189 HydrophobicContact CB-CD1 4.47Å; E90-F189 HydrophobicContact CB-CE1 4.26Å
91L96.5Very high95.9Very high1 Ų154.2 Ų54.21%0.00529%0.293CS..Hα-helixtrans-63.1-53.7177.7-177.4152.7000111Q88 K93 A94 Y95 V98 F132 L136 I139 F189Q88-L91 PolarHBondContact O-N 3.49Å; L91-K93 PolarHBondContact O-N 3.3Å; L91-K93 VanDerWaalsContact O-N 3.12Å; L91-A94 PolarHBondContact O-N 2.94Å; L91-Y95 HydrophobicContact CG-CD2 4.49Å; L91-Y95 PolarHBondContact O-N 2.92Å; L91-V98 HydrophobicContact CD2-CG2 4.13Å; L91-F132 HydrophobicContact CD1-CE2 4.32Å; L91-F132 HydrophobicContact CD1-CZ 3.92Å; L91-F132 HydrophobicContact CD2-CE2 3.82Å; L91-F132 HydrophobicContact CD2-CZ 4.21Å; L91-L136 HydrophobicContact CD1-CD1 3.6Å; L91-I139 HydrophobicContact CD1-CG2 4.09Å; L91-I139 HydrophobicContact CD2-CD1 4.23Å; L91-I139 HydrophobicContact CG-CG2 4.25Å; L91-F189 VanDerWaalsContact CA-CE1 3.41Å; L91-F189 HydrophobicContact CB-CB 4.35Å; L91-F189 HydrophobicContact CB-CD1 3.54Å; L91-F189 HydrophobicContact CB-CE1 3.98Å; L91-F189 HydrophobicContact CB-CG 3.85Å; L91-F189 HydrophobicContact CD1-CB 3.88Å; L91-F189 HydrophobicContact CD1-CD1 4.43Å; L91-F189 HydrophobicContact CD1-CD2 4.13Å; L91-F189 HydrophobicContact CD1-CG 3.86Å; L91-F189 HydrophobicContact CG-CD1 4.24Å; L91-F189 HydrophobicContact CG-CD2 4.35Å; L91-F189 HydrophobicContact CG-CG 4.1Å
92I96.1Very high95.9Very high13 Ų1352.4 Ų52.47%0.06728%0.284CS..Hα-helixtrans-65.9-18.7-179.565.5178.6000113.2T80 L83 K84 Q88 G89 P96T80-I92 HydrophobicContact CG2-CD1 3.83Å; L83-I92 HydrophobicContact CB-CD1 4.49Å; L83-I92 HydrophobicContact CB-CG2 3.96Å; L83-I92 HydrophobicContact CD1-CG2 3.62Å; L83-I92 HydrophobicContact CG-CG2 4.44Å; K84-I92 HydrophobicContact CD-CD1 4.23Å; K84-I92 HydrophobicContact CG-CD1 3.54Å; Q88-I92 WeakPolarHBondContact O-CG1 3.38Å; Q88-I92 PolarHBondContact O-N 3.36Å; Q88-I92 VanDerWaalsContact O-N 3.08Å; G89-I92 WeakPolarHBondContact O-CG1 3.35Å; I92-P96 VanDerWaalsContact O-CA 3.32Å; I92-P96 WeakPolarHBondContact O-CA 2.96Å
93K95.2Very high95.7Very high153 Ų15355 Ų5567%0.66530%0.295SS*.Hα-helixtrans-78.8-35.7174.6179.9-174.4169.3-162.10111G89 E90 L91G89-K93 WeakPolarHBondContact O-CB 3.43Å; G89-K93 PolarHBondContact O-N 2.94Å; E90-K93 PolarHBondContact O-N 2.65Å; E90-K93 IonicContact OE2-NZ 3.61Å; L91-K93 PolarHBondContact O-N 3.3Å; L91-K93 VanDerWaalsContact O-N 3.12Å
94A95.1Very high95.5Very high58 Ų5861 Ų6148%0.47932%0.323SS..Hα-helixtrans-78.1-37.8174.900000112.2E90 L91 P96 F189E90-A94 PolarHBondContact O-N 2.71Å; E90-A94 VanDerWaalsContact O-N 3.09Å; L91-A94 PolarHBondContact O-N 2.94Å; A94-P96 VanDerWaalsContact C-CD 3.49Å; A94-P96 WeakPolarHBondContact O-CD 3.48Å; A94-F189 HydrophobicContact CB-CE1 4.4Å; A94-F189 HydrophobicContact CB-CZ 3.89Å
95Y95.3Very high95.3Very high26 Ų2657.6 Ų57.610%0.10231%0.309CS..  trans-123.971.4-177.2-56.5-88.7000110.6L91 E97 V98 I139 F189L91-Y95 HydrophobicContact CG-CD2 4.49Å; L91-Y95 PolarHBondContact O-N 2.92Å; Y95-E97 VanDerWaalsContact CA-OE2 3.3Å; Y95-E97 WeakPolarHBondContact CA-OE2 3.12Å; Y95-E97 WeakPolarHBondContact CD1-OE1 3.31Å; Y95-E97 PolarHBondContact O-N 2.92Å; Y95-V98 WeakPolarHBondContact O-CB 3.47Å; Y95-V98 VanDerWaalsContact O-CG2 3.31Å; Y95-V98 WeakPolarHBondContact O-CG2 3.35Å; Y95-V98 PolarHBondContact O-N 3.04Å; Y95-I139 HydrophobicContact CD1-CG2 4.31Å; Y95-I139 HydrophobicContact CD2-CG2 3.6Å; Y95-I139 HydrophobicContact CE1-CG2 4.33Å; Y95-I139 HydrophobicContact CE2-CG2 3.66Å; Y95-I139 HydrophobicContact CG-CG2 3.96Å; Y95-F189 HydrophobicContact CD2-CE2 4.21Å; Y95-F189 HydrophobicContact CD2-CZ 4.25Å; Y95-F189 AromaticContact CE2-CE2 3.53Å; Y95-F189 HydrophobicContact CE2-CE2 3.53Å; Y95-F189 AromaticContact CE2-CZ 3.76Å; Y95-F189 HydrophobicContact CE2-CZ 3.76Å
96P95.2Very high95.1Very high77 Ų7753.6 Ų53.650%0.529%0.287SS..THydrogen-bonded Turntrans-64.6-20.8-178.627.1-35.5000113.8I92 A94 V98 V99I92-P96 VanDerWaalsContact O-CA 3.32Å; I92-P96 WeakPolarHBondContact O-CA 2.96Å; A94-P96 VanDerWaalsContact C-CD 3.49Å; A94-P96 WeakPolarHBondContact O-CD 3.48Å; P96-V98 PolarHBondContact O-N 3.24Å; P96-V99 PolarHBondContact O-N 3.42Å
97E96.3Very high94.9Very high72 Ų7253.9 Ų53.934%0.33629%0.289SS..Hα-helixtrans-60.7-25.9175.568.1-82.3-164.300113.2Y95 V99 N100 Q101Y95-E97 VanDerWaalsContact CA-OE2 3.3Å; Y95-E97 WeakPolarHBondContact CA-OE2 3.12Å; Y95-E97 WeakPolarHBondContact CD1-OE1 3.31Å; Y95-E97 PolarHBondContact O-N 2.92Å; E97-V99 PolarHBondContact O-N 3.11Å; E97-N100 CarbonylContact O-C 3.59Å; E97-N100 WeakPolarHBondContact O-CA 3.41Å; E97-N100 WeakPolarHBondContact O-CB 3.46Å; E97-N100 PolarHBondContact O-N 3Å; E97-Q101 WeakPolarHBondContact O-CG 3.34Å; E97-Q101 PolarHBondContact O-N 3.47Å
98V96.8Very high94.5Very high0 Ų056.4 Ų56.40%029%0.292CS..Hα-helixtrans-52.4-44.5176.2165.70000111.8L83 L91 Y95 P96 N100 Q101 I102 F132 I135 I139L83-V98 HydrophobicContact CD1-CG1 4.16Å; L91-V98 HydrophobicContact CD2-CG2 4.13Å; Y95-V98 WeakPolarHBondContact O-CB 3.47Å; Y95-V98 VanDerWaalsContact O-CG2 3.31Å; Y95-V98 WeakPolarHBondContact O-CG2 3.35Å; Y95-V98 PolarHBondContact O-N 3.04Å; P96-V98 PolarHBondContact O-N 3.24Å; V98-N100 VanDerWaalsContact C-N 3.28Å; V98-N100 PolarHBondContact O-N 3.43Å; V98-Q101 PolarHBondContact O-N 3.02Å; V98-I102 HydrophobicContact CG1-CD1 3.8Å; V98-I102 WeakPolarHBondContact O-CD1 3.48Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.09Å; V98-F132 HydrophobicContact CG1-CD2 4.12Å; V98-F132 HydrophobicContact CG1-CE2 4.24Å; V98-I135 HydrophobicContact CB-CD1 4.33Å; V98-I135 HydrophobicContact CG1-CD1 3.64Å; V98-I135 HydrophobicContact CG2-CD1 4.29Å; V98-I139 HydrophobicContact CG2-CD1 3.38Å; V98-I139 HydrophobicContact CG2-CG1 4.47Å
99V97.7Very high93.7Very high10 Ų1054.9 Ų54.96%0.06129%0.288CS..Hα-helixtrans-64.4-37.8180175.70000110.8E76 I79 T80 P96 E97 K103E76-V99 HydrophobicContact CB-CG1 3.92Å; E76-V99 HydrophobicContact CG-CG1 4.29Å; I79-V99 HydrophobicContact CB-CG1 4.2Å; I79-V99 HydrophobicContact CG2-CB 4.49Å; I79-V99 HydrophobicContact CG2-CG1 4.12Å; I79-V99 HydrophobicContact CG2-CG2 4.41Å; T80-V99 WeakPolarHBondContact OG1-CG2 3.23Å; P96-V99 PolarHBondContact O-N 3.42Å; E97-V99 PolarHBondContact O-N 3.11Å; V99-K103 WeakPolarHBondContact O-CB 3.25Å; V99-K103 PolarHBondContact O-N 2.82Å; V99-K103 VanDerWaalsContact O-N 3.12Å
100N96.1Very high92.5Very high76 Ų7662 Ų6241%0.40632%0.321SS..Hα-helixtrans-72.4-39.5177.8-69.8-30000111.7E97 V98 K103 E104E97-N100 CarbonylContact O-C 3.59Å; E97-N100 WeakPolarHBondContact O-CA 3.41Å; E97-N100 WeakPolarHBondContact O-CB 3.46Å; E97-N100 PolarHBondContact O-N 3Å; V98-N100 VanDerWaalsContact C-N 3.28Å; V98-N100 PolarHBondContact O-N 3.43Å; N100-K103 PolarHBondContact O-N 3.08Å; N100-E104 WeakPolarHBondContact O-CB 3.47Å; N100-E104 WeakPolarHBondContact O-CG 3.49Å; N100-E104 PolarHBondContact O-N 3.22Å
101Q95.4Very high90.9Very high66 Ų6659.1 Ų59.131%0.30831%0.307SS..Hα-helixtrans-59.7-49.5175.4-70.2173.6-3600111.1E97 V98 K103 E104 E105 Y131E97-Q101 WeakPolarHBondContact O-CG 3.34Å; E97-Q101 PolarHBondContact O-N 3.47Å; V98-Q101 PolarHBondContact O-N 3.02Å; Q101-K103 VanDerWaalsContact C-N 3.29Å; Q101-K103 PolarHBondContact O-N 3.33Å; Q101-E104 PolarHBondContact O-N 3.17Å; Q101-E105 WeakPolarHBondContact O-CB 3.3Å; Q101-E105 PolarHBondContact O-N 3.24Å; Q101-Y131 HydrophobicContact CB-CE1 3.95Å
102I95.5Very high89.3Confident0 Ų066.4 Ų66.40%034%0.338CS..Hα-helixtrans-58.1-43.6176.3-65.1157.5000110.8I79 L83 V98 F106 F127 I128 Y131 I135I79-I102 HydrophobicContact CD1-CB 4.19Å; I79-I102 HydrophobicContact CD1-CG2 3.72Å; I79-I102 HydrophobicContact CG1-CG2 4.09Å; I79-I102 HydrophobicContact CG2-CB 4.19Å; I79-I102 HydrophobicContact CG2-CD1 3.72Å; I79-I102 HydrophobicContact CG2-CG2 4.03Å; L83-I102 HydrophobicContact CD1-CD1 3.77Å; V98-I102 HydrophobicContact CG1-CD1 3.8Å; V98-I102 WeakPolarHBondContact O-CD1 3.48Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.09Å; I102-F106 WeakPolarHBondContact O-CB 3.34Å; I102-F106 PolarHBondContact O-N 3.47Å; I102-F127 HydrophobicContact CG2-CD1 4.47Å; I102-F127 HydrophobicContact CG2-CE1 3.88Å; I102-I128 HydrophobicContact CD1-CG2 4.27Å; I102-I128 HydrophobicContact CG2-CG1 4.29Å; I102-I128 HydrophobicContact CG2-CG2 4.4Å; I102-Y131 HydrophobicContact CB-CD1 4.16Å; I102-Y131 HydrophobicContact CG1-CD1 3.55Å; I102-Y131 HydrophobicContact CG1-CE1 4.07Å; I102-I135 HydrophobicContact CD1-CD1 4.45Å; I102-I135 HydrophobicContact CG1-CD1 4.29Å
103K94.8Very high87.8Confident57 Ų5770 Ų7025%0.24836%0.357CS..Hα-helixtrans-64.6-46.1178.5173.6-176165.9-162.80111.9I75 E76 I79 V99 N100 Q101 F106 F107I75-K103 HydrophobicContact CG2-CB 4.46Å; I75-K103 HydrophobicContact CG2-CG 4.16Å; E76-K103 VanDerWaalsContact CD-CD 3.43Å; E76-K103 VanDerWaalsContact CD-NZ 3.27Å; E76-K103 HydrophobicContact CG-CD 3.69Å; E76-K103 IonicContact OE1-NZ 2.65Å; E76-K103 PolarHBondContact OE1-NZ 3.17Å; E76-K103 IonicContact OE2-NZ 2.61Å; I79-K103 HydrophobicContact CD1-CB 3.98Å; V99-K103 WeakPolarHBondContact O-CB 3.25Å; V99-K103 PolarHBondContact O-N 2.82Å; V99-K103 VanDerWaalsContact O-N 3.12Å; N100-K103 PolarHBondContact O-N 3.08Å; Q101-K103 VanDerWaalsContact C-N 3.29Å; Q101-K103 PolarHBondContact O-N 3.33Å; K103-F106 PolarHBondContact O-N 2.83Å; K103-F107 HydrophobicContact CD-CE2 4.45Å; K103-F107 HydrophobicContact CG-CD2 3.8Å; K103-F107 HydrophobicContact CG-CE2 3.85Å; K103-F107 VanDerWaalsContact O-CD2 3.23Å; K103-F107 WeakPolarHBondContact O-CD2 3.48Å; K103-F107 PolarHBondContact O-N 3.23Å
104E93.5Very high86.6Confident127 Ų12767.7 Ų67.759%0.59336%0.359SS*.Hα-helixtrans-63.3-43.9-179.7-76.5179.2-17900110.7N100 Q101 F106 F107 T108N100-E104 WeakPolarHBondContact O-CB 3.47Å; N100-E104 WeakPolarHBondContact O-CG 3.49Å; N100-E104 PolarHBondContact O-N 3.22Å; Q101-E104 PolarHBondContact O-N 3.17Å; E104-F106 PolarHBondContact O-N 2.9Å; E104-F107 PolarHBondContact O-N 2.8Å; E104-T108 WeakPolarHBondContact O-CB 3.24Å; E104-T108 PolarHBondContact O-N 3.26Å; E104-T108 PolarHBondContact O-OG1 2.61Å
105E92.2Very high85.9Confident39 Ų3967.1 Ų67.118%0.18236%0.358CS..Hα-helixtrans-60.7-44.9174.9-169.467-154.400111.3Q101 F107 T108 G109 D110 F111 F127 Y131Q101-E105 WeakPolarHBondContact O-CB 3.3Å; Q101-E105 PolarHBondContact O-N 3.24Å; E105-F107 PolarHBondContact O-N 3.33Å; E105-T108 PolarHBondContact O-N 3.36Å; E105-G109 VanDerWaalsContact CD-CA 3.5Å; E105-G109 VanDerWaalsContact O-CA 3.25Å; E105-G109 WeakPolarHBondContact O-CA 3.13Å; E105-G109 PolarHBondContact O-N 2.98Å; E105-G109 WeakPolarHBondContact OE1-CA 3.37Å; E105-D110 PolarHBondContact OE1-N 3.47Å; E105-F111 HydrophobicContact CG-CD2 3.73Å; E105-F111 HydrophobicContact CG-CE2 4.45Å; E105-F111 VanDerWaalsContact OE1-CD2 3.31Å; E105-F111 WeakPolarHBondContact OE1-CD2 3.38Å; E105-F127 HydrophobicContact CB-CZ 4.15Å; E105-F127 HydrophobicContact CG-CE2 4.41Å; E105-F127 HydrophobicContact CG-CZ 4.1Å; E105-Y131 HydrophobicContact CB-CD2 4.01Å; E105-Y131 HydrophobicContact CB-CE1 4.2Å; E105-Y131 HydrophobicContact CB-CE2 3.59Å; E105-Y131 HydrophobicContact CB-CG 4.43Å; E105-Y131 HydrophobicContact CG-CD2 3.58Å; E105-Y131 HydrophobicContact CG-CE2 3.36Å; E105-Y131 HydrophobicContact CG-CG 4.36Å
106F92.6Very high85.6Confident12 Ų1268 Ų685%0.05336%0.361CS..Hα-helixtrans-56.9-38.9178.3175.7-114.8000112.7I75 I102 K103 E104 E117 P123 F127I75-F106 HydrophobicContact CD1-CE1 4.22Å; I102-F106 WeakPolarHBondContact O-CB 3.34Å; I102-F106 PolarHBondContact O-N 3.47Å; K103-F106 PolarHBondContact O-N 2.83Å; E104-F106 PolarHBondContact O-N 2.9Å; F106-E117 HydrophobicContact CE2-CG 4Å; F106-E117 HydrophobicContact CZ-CG 3.89Å; F106-P123 HydrophobicContact CD1-CG 4.47Å; F106-P123 HydrophobicContact CD2-CB 3.69Å; F106-P123 HydrophobicContact CD2-CG 4.39Å; F106-P123 HydrophobicContact CE2-CB 3.83Å; F106-P123 HydrophobicContact CG-CB 4.1Å; F106-P123 HydrophobicContact CG-CG 4.35Å; F106-P123 HydrophobicContact CZ-CB 4.34Å; F106-F127 HydrophobicContact CB-CD1 4.49Å; F106-F127 HydrophobicContact CB-CE1 3.62Å; F106-F127 HydrophobicContact CB-CZ 3.77Å; F106-F127 HydrophobicContact CD2-CD1 4.32Å; F106-F127 HydrophobicContact CD2-CE1 4.19Å; F106-F127 HydrophobicContact CD2-CZ 4.46Å; F106-F127 HydrophobicContact CG-CE1 4.32Å
107F89.5Confident85.3Confident93 Ų9369 Ų6941%0.40836%0.36SS..Hα-helixtrans-88.5-32.8-176.3-79.6-59.4000114.9I75 K103 E104 E105I75-F107 HydrophobicContact CD1-CE1 4.16Å; I75-F107 HydrophobicContact CD1-CE2 3.65Å; I75-F107 HydrophobicContact CD1-CZ 3.19Å; K103-F107 HydrophobicContact CD-CE2 4.45Å; K103-F107 HydrophobicContact CG-CD2 3.8Å; K103-F107 HydrophobicContact CG-CE2 3.85Å; K103-F107 VanDerWaalsContact O-CD2 3.23Å; K103-F107 WeakPolarHBondContact O-CD2 3.48Å; K103-F107 PolarHBondContact O-N 3.23Å; E104-F107 PolarHBondContact O-N 2.8Å; E105-F107 PolarHBondContact O-N 3.33Å
108T87.4Confident85Confident114 Ų11467.2 Ų67.270%0.69935%0.352SS*.Hα-helixtrans-129.3-13.6-164.867.40000114.4E104 E105E104-T108 WeakPolarHBondContact O-CB 3.24Å; E104-T108 PolarHBondContact O-N 3.26Å; E104-T108 PolarHBondContact O-OG1 2.61Å; E105-T108 PolarHBondContact O-N 3.36Å
109G76.3Confident84.6Confident13 Ų1373.9 Ų73.913%0.13438%0.383CS..SBendtrans-75.4176.2-175.600000114.8E105 F111 K112E105-G109 VanDerWaalsContact CD-CA 3.5Å; E105-G109 VanDerWaalsContact O-CA 3.25Å; E105-G109 WeakPolarHBondContact O-CA 3.13Å; E105-G109 PolarHBondContact O-N 2.98Å; E105-G109 WeakPolarHBondContact OE1-CA 3.37Å; G109-F111 PolarHBondContact O-N 2.7Å; G109-K112 WeakPolarHBondContact O-CB 3.5Å; G109-K112 PolarHBondContact O-N 2.86Å
110D71.5Confident84.3Confident171 Ų17174.4 Ų74.491%0.91439%0.387SS*.THydrogen-bonded Turntrans-63.8-22.7176.6-74-27.8000111.3E105 K112E105-D110 PolarHBondContact OE1-N 3.47Å; D110-K112 PolarHBondContact O-N 3.31Å
111F60.5Low84Confident64 Ų6472.3 Ų72.328%0.28138%0.383SS..THydrogen-bonded Turntrans-75.47.4173.2-66.1-82.3000114.5E105 G109 N113 W116 F127 Y131E105-F111 HydrophobicContact CG-CD2 3.73Å; E105-F111 HydrophobicContact CG-CE2 4.45Å; E105-F111 VanDerWaalsContact OE1-CD2 3.31Å; E105-F111 WeakPolarHBondContact OE1-CD2 3.38Å; G109-F111 PolarHBondContact O-N 2.7Å; F111-N113 PolarHBondContact O-N 3.3Å; F111-W116 HydrophobicContact CD1-CZ2 4.23Å; F111-W116 AromaticContact CD1-NE1 3.63Å; F111-W116 HydrophobicContact CE1-CZ2 4.45Å; F111-F127 HydrophobicContact CB-CD2 4.11Å; F111-F127 HydrophobicContact CB-CE2 3.5Å; F111-F127 HydrophobicContact CD1-CE2 4.46Å; F111-F127 HydrophobicContact CD2-CE2 4.25Å; F111-F127 HydrophobicContact CG-CD2 4.38Å; F111-F127 AromaticContact CG-CE2 3.86Å; F111-F127 HydrophobicContact CG-CE2 3.86Å; F111-Y131 HydrophobicContact CE2-CD2 4.4Å
112K62.1Low83.9Confident153 Ų15369.8 Ų69.867%0.66537%0.371SS*.  trans-66.484.1174.1-169.9-179.3-176.7166.10111.2G109 D110G109-K112 WeakPolarHBondContact O-CB 3.5Å; G109-K112 PolarHBondContact O-N 2.86Å; D110-K112 PolarHBondContact O-N 3.31Å
113N65.6Low83.9Confident88 Ų8869.8 Ų69.847%0.47137%0.371SS..  trans-132.4130.2-179.3-179-10.4000107.8F111 G115 W116F111-N113 PolarHBondContact O-N 3.3Å; N113-G115 PolarHBondContact O-N 3Å; N113-G115 PolarHBondContact OD1-N 3.37Å; N113-W116 PolarHBondContact O-N 3Å
114P68.5Low83.8Confident106 Ų10670.2 Ų70.269%0.68837%0.374SS*.G310 helixtrans-50.4-22.7172-27.934.5000114.4W116 E117P114-W116 PolarHBondContact O-N 2.99Å; P114-E117 PolarHBondContact O-N 3.2Å
115G81.9Confident83.9Confident46 Ų4665.8 Ų65.847%0.47435%0.354SS..G310 helixtrans-66.9-15.4173.900000115.4N113N113-G115 PolarHBondContact O-N 3Å; N113-G115 PolarHBondContact OD1-N 3.37Å
116W87.7Confident83.9Confident44 Ų4469.4 Ų69.417%0.16737%0.371CS..G310 helixtrans-99.61.7176.4-66.1121.3000113.4F111 N113 P114 P123 M124 E126 F127 D130F111-W116 HydrophobicContact CD1-CZ2 4.23Å; F111-W116 AromaticContact CD1-NE1 3.63Å; F111-W116 HydrophobicContact CE1-CZ2 4.45Å; N113-W116 PolarHBondContact O-N 3Å; P114-W116 PolarHBondContact O-N 2.99Å; W116-P123 CarbonylContact O-C 3.56Å; W116-P123 WeakPolarHBondContact O-CA 3.18Å; W116-M124 HydrophobicContact CE3-CB 4.42Å; W116-M124 PolarHBondContact O-N 3.32Å; W116-E126 HydrophobicContact CH2-CG 4.17Å; W116-E126 HydrophobicContact CZ3-CB 3.9Å; W116-E126 HydrophobicContact CZ3-CG 3.79Å; W116-F127 HydrophobicContact CB-CB 4.25Å; W116-F127 HydrophobicContact CB-CD2 4.15Å; W116-F127 HydrophobicContact CB-CG 4.38Å; W116-F127 HydrophobicContact CD2-CB 3.92Å; W116-F127 HydrophobicContact CD2-CD2 4.01Å; W116-F127 HydrophobicContact CD2-CG 4.44Å; W116-F127 HydrophobicContact CE3-CB 3.44Å; W116-F127 VanDerWaalsContact CE3-CB 3.44Å; W116-F127 HydrophobicContact CE3-CD2 4.38Å; W116-F127 HydrophobicContact CE3-CG 4.4Å; W116-F127 HydrophobicContact CG-CB 4.31Å; W116-F127 AromaticContact CG-CD2 3.95Å; W116-F127 HydrophobicContact CG-CD2 3.95Å; W116-F127 HydrophobicContact CG-CG 4.49Å; W116-F127 HydrophobicContact CZ3-CB 3.93Å; W116-F127 VanDerWaalsContact CZ3-N 3.3Å; W116-D130 WeakPolarHBondContact CH2-OD2 3.32Å
117E90Very high84Confident99 Ų9969 Ų6946%0.46337%0.369SS..BIsolated β-bridgetrans-95.6130.9172.9-60.2-172.6-167.600110.3F106 P114 Y122F106-E117 HydrophobicContact CE2-CG 4Å; F106-E117 HydrophobicContact CZ-CG 3.89Å; P114-E117 PolarHBondContact O-N 3.2Å; E117-Y122 CarbonylContact C-O 3.52Å; E117-Y122 WeakPolarHBondContact CA-O 3.45Å
118N90.6Very high84.3Confident33 Ų3364.5 Ų64.518%0.17635%0.349CS..  trans-77.3176.3169.671.722.3000111.5Y78 V120 G121 Y122 M124Y78-N118 PolarHBondContact OH-ND2 3.06Å; N118-V120 PolarHBondContact O-N 3.4Å; N118-V120 WeakPolarHBondContact OD1-CG2 3.36Å; N118-V120 PolarHBondContact OD1-N 2.85Å; N118-G121 PolarHBondContact O-N 3.04Å; N118-G121 PolarHBondContact OD1-N 2.87Å; N118-Y122 VanDerWaalsContact CG-O 3.24Å; N118-Y122 PolarHBondContact N-O 3.49Å; N118-Y122 WeakPolarHBondContact ND2-CB 3.43Å; N118-Y122 PolarHBondContact OD1-N 2.92Å; N118-Y122 PolarHBondContact OD1-O 3.45Å; N118-M124 HydrophobicContact CB-CG 4.31Å
119E88.4Confident84.7Confident140 Ų14061.6 Ų61.665%0.65433%0.329SS*.THydrogen-bonded Turntrans-56.6-14.9-177.4-65.6170.8-15400115M1M1-E119 WeakPolarHBondContact CA-OE2 3.37Å; M1-E119 WeakPolarHBondContact CB-OE2 3.35Å; M1-E119 VanDerWaalsContact N-CD 3.31Å; M1-E119 PolarHBondContact N-OE1 2.98Å; M1-E119 PolarHBondContact N-OE2 3.21Å; M1-E119 VanDerWaalsContact N-OE2 3.17Å
120V90.1Very high85.5Confident22 Ų2264.2 Ų64.213%0.13334%0.34CS..THydrogen-bonded Turntrans-112.69.2-179.9-60.90000114V67 F72 N118 Y122V67-V120 HydrophobicContact CG1-CG1 3.99Å; F72-V120 HydrophobicContact CD2-CG2 4.3Å; F72-V120 HydrophobicContact CE2-CG2 4.21Å; N118-V120 PolarHBondContact O-N 3.4Å; N118-V120 WeakPolarHBondContact OD1-CG2 3.36Å; N118-V120 PolarHBondContact OD1-N 2.85Å; V120-Y122 HydrophobicContact CG2-CD2 3.93Å; V120-Y122 HydrophobicContact CG2-CG 4.42Å; V120-Y122 WeakPolarHBondContact O-CD2 3.33Å
121G90.4Very high86.6Confident32 Ų3257.8 Ų57.833%0.3330%0.303SS..SBendtrans80.526.3176.300000114.6N118N118-G121 PolarHBondContact O-N 3.04Å; N118-G121 PolarHBondContact OD1-N 2.87Å
122Y93.9Very high88.2Confident12 Ų1255.4 Ų55.45%0.04729%0.293CS..SBendtrans-111.5158.9178.3-79-120.3000109W69 F72 G73 I75 Y78 E117 N118 V120 M124W69-Y122 WeakPolarHBondContact CA-OH 3.38Å; W69-Y122 PolarHBondContact N-OH 3.03Å; F72-Y122 HydrophobicContact CB-CD1 4.46Å; F72-Y122 HydrophobicContact CB-CE1 4.1Å; G73-Y122 WeakPolarHBondContact O-CE1 3.33Å; G73-Y122 PolarHBondContact O-OH 3.47Å; I75-Y122 HydrophobicContact CB-CE1 4.48Å; I75-Y122 HydrophobicContact CG1-CD1 3.76Å; I75-Y122 HydrophobicContact CG1-CE1 3.68Å; I75-Y122 HydrophobicContact CG1-CG 4.27Å; Y78-Y122 AromaticContact CD1-CD1 3.85Å; Y78-Y122 HydrophobicContact CD1-CD1 3.85Å; Y78-Y122 HydrophobicContact CD2-CD1 4.08Å; Y78-Y122 AromaticContact CG-CD1 3.58Å; Y78-Y122 HydrophobicContact CG-CD1 3.58Å; Y78-Y122 HydrophobicContact CG-CE1 4.3Å; E117-Y122 CarbonylContact C-O 3.52Å; E117-Y122 WeakPolarHBondContact CA-O 3.45Å; N118-Y122 VanDerWaalsContact CG-O 3.24Å; N118-Y122 PolarHBondContact N-O 3.49Å; N118-Y122 WeakPolarHBondContact ND2-CB 3.43Å; N118-Y122 PolarHBondContact OD1-N 2.92Å; N118-Y122 PolarHBondContact OD1-O 3.45Å; V120-Y122 HydrophobicContact CG2-CD2 3.93Å; V120-Y122 HydrophobicContact CG2-CG 4.42Å; V120-Y122 WeakPolarHBondContact O-CD2 3.33Å; Y122-M124 PolarHBondContact O-N 2.7Å
123P93.8Very high89.7Confident0 Ų050.8 Ų50.80%028%0.283CS..BIsolated β-bridgetrans-56.7138.2176.619-28.7000111.3I75 Y78 I79 F106 W116 F127 I128I75-P123 HydrophobicContact CG2-CG 4.5Å; Y78-P123 HydrophobicContact CD1-CG 4.06Å; Y78-P123 HydrophobicContact CE1-CG 3.97Å; Y78-P123 VanDerWaalsContact CE1-O 3.23Å; Y78-P123 WeakPolarHBondContact CE1-O 3.43Å; Y78-P123 PolarHBondContact OH-O 3.49Å; Y78-P123 VanDerWaalsContact OH-O 3.11Å; I79-P123 HydrophobicContact CD1-CG 4.47Å; I79-P123 HydrophobicContact CG1-CG 4.19Å; F106-P123 HydrophobicContact CD1-CG 4.47Å; F106-P123 HydrophobicContact CD2-CB 3.69Å; F106-P123 HydrophobicContact CD2-CG 4.39Å; F106-P123 HydrophobicContact CE2-CB 3.83Å; F106-P123 HydrophobicContact CG-CB 4.1Å; F106-P123 HydrophobicContact CG-CG 4.35Å; F106-P123 HydrophobicContact CZ-CB 4.34Å; W116-P123 CarbonylContact O-C 3.56Å; W116-P123 WeakPolarHBondContact O-CA 3.18Å; P123-F127 HydrophobicContact CB-CB 4.5Å; P123-F127 HydrophobicContact CB-CD1 3.58Å; P123-F127 HydrophobicContact CB-CE1 4.25Å; P123-F127 HydrophobicContact CB-CG 4.33Å; P123-I128 HydrophobicContact CB-CD1 4.42Å; P123-I128 HydrophobicContact CB-CG1 4.1Å; P123-I128 HydrophobicContact CG-CD1 4.19Å; P123-I128 HydrophobicContact CG-CG1 4.25Å
124M94Very high90.9Very high67 Ų6751.6 Ų51.633%0.3329%0.288SS..  trans-60.7151.1165.9-75.2-169.756.900109.9W116 N118 Y122 E126 F127 I128W116-M124 HydrophobicContact CE3-CB 4.42Å; W116-M124 PolarHBondContact O-N 3.32Å; N118-M124 HydrophobicContact CB-CG 4.31Å; Y122-M124 PolarHBondContact O-N 2.7Å; M124-E126 VanDerWaalsContact C-N 3.25Å; M124-E126 PolarHBondContact O-N 3.31Å; M124-F127 WeakPolarHBondContact O-CB 3.48Å; M124-F127 PolarHBondContact O-N 2.93Å; M124-F127 VanDerWaalsContact O-N 3.16Å; M124-I128 PolarHBondContact O-N 2.92Å
125E94.9Very high92.1Very high34 Ų3447.3 Ų47.316%0.15926%0.259CS..Hα-helixtrans-63.8-34.8179.9-66.9176.2171.400111.9G3 L4 L5 Y82 I128 D129G3-E125 VanDerWaalsContact C-OE1 3.26Å; G3-E125 WeakPolarHBondContact CA-OE1 3.45Å; L4-E125 WeakPolarHBondContact CA-OE1 3.49Å; L4-E125 WeakPolarHBondContact CB-OE2 3.28Å; L4-E125 PolarHBondContact N-OE1 3.17Å; L4-E125 PolarHBondContact N-OE2 2.86Å; L5-E125 PolarHBondContact N-OE1 3.03Å; Y82-E125 HydrophobicContact CD2-CB 4.45Å; Y82-E125 HydrophobicContact CD2-CG 3.87Å; Y82-E125 HydrophobicContact CE1-CB 4.5Å; Y82-E125 HydrophobicContact CE2-CB 3.68Å; Y82-E125 HydrophobicContact CE2-CG 3.5Å; Y82-E125 VanDerWaalsContact CE2-CG 3.5Å; E125-I128 PolarHBondContact O-N 3.23Å; E125-D129 PolarHBondContact O-N 3.29Å
126E93.1Very high92.6Very high115 Ų11547.4 Ų47.454%0.53725%0.248SC..Hα-helixtrans-62.3-39.6173.7-172.4177.8-168.900111.7W116 M124 I128 D129 D130W116-E126 HydrophobicContact CH2-CG 4.17Å; W116-E126 HydrophobicContact CZ3-CB 3.9Å; W116-E126 HydrophobicContact CZ3-CG 3.79Å; M124-E126 VanDerWaalsContact C-N 3.25Å; M124-E126 PolarHBondContact O-N 3.31Å; E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 3.4Å; E126-D129 PolarHBondContact O-N 2.97Å; E126-D130 WeakPolarHBondContact O-CB 3.46Å; E126-D130 VanDerWaalsContact O-CG 3.32Å; E126-D130 PolarHBondContact O-N 3.12Å
127F94Very high92.7Very high2 Ų248.3 Ų48.31%0.00926%0.26CS..Hα-helixtrans-59.3-44.6173.1171.7-93.6000111.3I102 E105 F106 F111 W116 P123 M124 Y131I102-F127 HydrophobicContact CG2-CD1 4.47Å; I102-F127 HydrophobicContact CG2-CE1 3.88Å; E105-F127 HydrophobicContact CB-CZ 4.15Å; E105-F127 HydrophobicContact CG-CE2 4.41Å; E105-F127 HydrophobicContact CG-CZ 4.1Å; F106-F127 HydrophobicContact CB-CD1 4.49Å; F106-F127 HydrophobicContact CB-CE1 3.62Å; F106-F127 HydrophobicContact CB-CZ 3.77Å; F106-F127 HydrophobicContact CD2-CD1 4.32Å; F106-F127 HydrophobicContact CD2-CE1 4.19Å; F106-F127 HydrophobicContact CD2-CZ 4.46Å; F106-F127 HydrophobicContact CG-CE1 4.32Å; F111-F127 HydrophobicContact CB-CD2 4.11Å; F111-F127 HydrophobicContact CB-CE2 3.5Å; F111-F127 HydrophobicContact CD1-CE2 4.46Å; F111-F127 HydrophobicContact CD2-CE2 4.25Å; F111-F127 HydrophobicContact CG-CD2 4.38Å; F111-F127 AromaticContact CG-CE2 3.86Å; F111-F127 HydrophobicContact CG-CE2 3.86Å; W116-F127 HydrophobicContact CB-CB 4.25Å; W116-F127 HydrophobicContact CB-CD2 4.15Å; W116-F127 HydrophobicContact CB-CG 4.38Å; W116-F127 HydrophobicContact CD2-CB 3.92Å; W116-F127 HydrophobicContact CD2-CD2 4.01Å; W116-F127 HydrophobicContact CD2-CG 4.44Å; W116-F127 HydrophobicContact CE3-CB 3.44Å; W116-F127 VanDerWaalsContact CE3-CB 3.44Å; W116-F127 HydrophobicContact CE3-CD2 4.38Å; W116-F127 HydrophobicContact CE3-CG 4.4Å; W116-F127 HydrophobicContact CG-CB 4.31Å; W116-F127 AromaticContact CG-CD2 3.95Å; W116-F127 HydrophobicContact CG-CD2 3.95Å; W116-F127 HydrophobicContact CG-CG 4.49Å; W116-F127 HydrophobicContact CZ3-CB 3.93Å; W116-F127 VanDerWaalsContact CZ3-N 3.3Å; P123-F127 HydrophobicContact CB-CB 4.5Å; P123-F127 HydrophobicContact CB-CD1 3.58Å; P123-F127 HydrophobicContact CB-CE1 4.25Å; P123-F127 HydrophobicContact CB-CG 4.33Å; M124-F127 WeakPolarHBondContact O-CB 3.48Å; M124-F127 PolarHBondContact O-N 2.93Å; M124-F127 VanDerWaalsContact O-N 3.16Å; F127-Y131 PolarHBondContact O-N 3.08Å; F127-Y131 VanDerWaalsContact O-N 3.08Å
128I95.9Very high92.7Very high0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-66.8-43.4179.9-57.9168.9000110.1Y78 I79 Y82 L83 I102 P123 M124 E125 E126 F132Y78-I128 HydrophobicContact CD1-CD1 4.2Å; Y78-I128 HydrophobicContact CE1-CD1 3.77Å; I79-I128 HydrophobicContact CG1-CD1 4.15Å; I79-I128 HydrophobicContact CG1-CG1 4.49Å; I79-I128 HydrophobicContact CG2-CG2 4.46Å; Y82-I128 HydrophobicContact CD1-CB 3.91Å; Y82-I128 HydrophobicContact CD1-CD1 3.75Å; Y82-I128 HydrophobicContact CD1-CG1 4.45Å; Y82-I128 HydrophobicContact CD1-CG2 3.59Å; Y82-I128 HydrophobicContact CE1-CB 3.86Å; Y82-I128 HydrophobicContact CE1-CD1 4.37Å; Y82-I128 HydrophobicContact CE1-CG2 3.81Å; Y82-I128 HydrophobicContact CG-CD1 4.12Å; L83-I128 HydrophobicContact CD2-CG2 3.96Å; L83-I128 HydrophobicContact CG-CG2 4.27Å; I102-I128 HydrophobicContact CD1-CG2 4.27Å; I102-I128 HydrophobicContact CG2-CG1 4.29Å; I102-I128 HydrophobicContact CG2-CG2 4.4Å; P123-I128 HydrophobicContact CB-CD1 4.42Å; P123-I128 HydrophobicContact CB-CG1 4.1Å; P123-I128 HydrophobicContact CG-CD1 4.19Å; P123-I128 HydrophobicContact CG-CG1 4.25Å; M124-I128 PolarHBondContact O-N 2.92Å; E125-I128 PolarHBondContact O-N 3.23Å; E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 3.4Å; I128-F132 WeakPolarHBondContact O-CB 3.39Å; I128-F132 PolarHBondContact O-N 3.07Å
129D95.5Very high92.9Very high52 Ų5247.2 Ų47.228%0.27825%0.254SS..Hα-helixtrans-61.9-45.6178.8-78.8-11.2000111.5Y82 K86 E125 E126 A133Y82-D129 VanDerWaalsContact CE1-OD1 3.27Å; Y82-D129 WeakPolarHBondContact CE1-OD1 3.39Å; Y82-D129 PolarHBondContact OH-OD1 3.44Å; Y82-D129 PolarHBondContact OH-OD2 3.33Å; K86-D129 VanDerWaalsContact NZ-CG 3.31Å; K86-D129 IonicContact NZ-OD1 2.69Å; K86-D129 PolarHBondContact NZ-OD1 2.96Å; K86-D129 IonicContact NZ-OD2 3.93Å; K86-D129 PolarHBondContact NZ-OD2 3.28Å; E125-D129 PolarHBondContact O-N 3.29Å; E126-D129 PolarHBondContact O-N 2.97Å; D129-A133 WeakPolarHBondContact O-CB 3.33Å; D129-A133 PolarHBondContact O-N 3.08Å
130D93.1Very high93.1Very high69 Ų6941.4 Ų41.437%0.36923%0.227SC..Hα-helixtrans-64.6-54.8-179-74.1-5.1000111.2W116 E126 F132 A133 D134W116-D130 WeakPolarHBondContact CH2-OD2 3.32Å; E126-D130 WeakPolarHBondContact O-CB 3.46Å; E126-D130 VanDerWaalsContact O-CG 3.32Å; E126-D130 PolarHBondContact O-N 3.12Å; D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 3.39Å; D130-A133 WeakPolarHBondContact O-CB 3.45Å; D130-A133 PolarHBondContact O-N 3.2Å; D130-D134 PolarHBondContact O-N 3.2Å; D130-D134 VanDerWaalsContact O-N 3.09Å
131Y93.7Very high93.3Very high36 Ų3641.5 Ų41.514%0.14123%0.226CC..Hα-helixtrans-66.8-31.9-179.7-170.4-95.6000112.2Q101 I102 E105 F111 F127 A133 D134 I135Q101-Y131 HydrophobicContact CB-CE1 3.95Å; I102-Y131 HydrophobicContact CB-CD1 4.16Å; I102-Y131 HydrophobicContact CG1-CD1 3.55Å; I102-Y131 HydrophobicContact CG1-CE1 4.07Å; E105-Y131 HydrophobicContact CB-CD2 4.01Å; E105-Y131 HydrophobicContact CB-CE1 4.2Å; E105-Y131 HydrophobicContact CB-CE2 3.59Å; E105-Y131 HydrophobicContact CB-CG 4.43Å; E105-Y131 HydrophobicContact CG-CD2 3.58Å; E105-Y131 HydrophobicContact CG-CE2 3.36Å; E105-Y131 HydrophobicContact CG-CG 4.36Å; F111-Y131 HydrophobicContact CE2-CD2 4.4Å; F127-Y131 PolarHBondContact O-N 3.08Å; F127-Y131 VanDerWaalsContact O-N 3.08Å; Y131-A133 VanDerWaalsContact C-N 3.32Å; Y131-D134 PolarHBondContact O-N 3.24Å; Y131-I135 HydrophobicContact CD1-CD1 4.29Å; Y131-I135 HydrophobicContact CD1-CG2 4.23Å; Y131-I135 HydrophobicContact CE1-CD1 4.32Å; Y131-I135 HydrophobicContact CE1-CG2 3.78Å; Y131-I135 WeakPolarHBondContact O-CG1 3.46Å; Y131-I135 PolarHBondContact O-N 3.43Å
132F95.6Very high93.5Very high14 Ų1445.6 Ų45.66%0.06123%0.232CC..Hα-helixtrans-64.6-37.9172.5-179.2-99000111.8L83 Q88 L91 V98 I128 D130 D134 I135 L136L83-F132 HydrophobicContact CD1-CD2 4.33Å; L83-F132 HydrophobicContact CD2-CB 4.37Å; L83-F132 HydrophobicContact CD2-CD2 3.76Å; L83-F132 HydrophobicContact CD2-CE2 4.15Å; L83-F132 HydrophobicContact CD2-CG 3.95Å; Q88-F132 HydrophobicContact CB-CZ 4.17Å; Q88-F132 HydrophobicContact CG-CE1 3.88Å; Q88-F132 HydrophobicContact CG-CE2 4.44Å; Q88-F132 HydrophobicContact CG-CZ 3.66Å; L91-F132 HydrophobicContact CD1-CE2 4.32Å; L91-F132 HydrophobicContact CD1-CZ 3.92Å; L91-F132 HydrophobicContact CD2-CE2 3.82Å; L91-F132 HydrophobicContact CD2-CZ 4.21Å; V98-F132 HydrophobicContact CG1-CD2 4.12Å; V98-F132 HydrophobicContact CG1-CE2 4.24Å; I128-F132 WeakPolarHBondContact O-CB 3.39Å; I128-F132 PolarHBondContact O-N 3.07Å; D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 3.39Å; F132-D134 VanDerWaalsContact C-N 3.29Å; F132-D134 PolarHBondContact O-N 3.42Å; F132-I135 HydrophobicContact CD2-CD1 4.27Å; F132-I135 HydrophobicContact CD2-CG1 4.46Å; F132-I135 WeakPolarHBondContact O-CG1 3.44Å; F132-I135 PolarHBondContact O-N 2.9Å; F132-L136 HydrophobicContact CE1-CB 4.45Å; F132-L136 HydrophobicContact CE1-CD1 4.28Å; F132-L136 HydrophobicContact CE1-CD2 4.12Å; F132-L136 HydrophobicContact CZ-CD1 4.07Å; F132-L136 VanDerWaalsContact O-CB 3.24Å; F132-L136 WeakPolarHBondContact O-CB 3.18Å; F132-L136 PolarHBondContact O-N 3.4Å
133A93Very high93.6Very high56 Ų5646.3 Ų46.346%0.46323%0.234SC..Hα-helixtrans-64.6-34.3174.700000111.9D129 D130 Y131 P137D129-A133 WeakPolarHBondContact O-CB 3.33Å; D129-A133 PolarHBondContact O-N 3.08Å; D130-A133 WeakPolarHBondContact O-CB 3.45Å; D130-A133 PolarHBondContact O-N 3.2Å; Y131-A133 VanDerWaalsContact C-N 3.32Å; A133-P137 WeakPolarHBondContact O-CD 3.47Å
134D90.8Very high93.7Very high105 Ų10546.3 Ų46.356%0.56123%0.234SC*.Hα-helixtrans-67.6-38.6177.4-68.7-19.5000113D130 Y131 F132D130-D134 PolarHBondContact O-N 3.2Å; D130-D134 VanDerWaalsContact O-N 3.09Å; Y131-D134 PolarHBondContact O-N 3.24Å; F132-D134 VanDerWaalsContact C-N 3.29Å; F132-D134 PolarHBondContact O-N 3.42Å
135I92.6Very high93.8Very high15 Ų1544.8 Ų44.88%0.07723%0.23CC..Hα-helixtrans-87.7-20.3-178.464.3-174.5000113.8V98 I102 Y131 F132 E138 I139V98-I135 HydrophobicContact CB-CD1 4.33Å; V98-I135 HydrophobicContact CG1-CD1 3.64Å; V98-I135 HydrophobicContact CG2-CD1 4.29Å; I102-I135 HydrophobicContact CD1-CD1 4.45Å; I102-I135 HydrophobicContact CG1-CD1 4.29Å; Y131-I135 HydrophobicContact CD1-CD1 4.29Å; Y131-I135 HydrophobicContact CD1-CG2 4.23Å; Y131-I135 HydrophobicContact CE1-CD1 4.32Å; Y131-I135 HydrophobicContact CE1-CG2 3.78Å; Y131-I135 WeakPolarHBondContact O-CG1 3.46Å; Y131-I135 PolarHBondContact O-N 3.43Å; F132-I135 HydrophobicContact CD2-CD1 4.27Å; F132-I135 HydrophobicContact CD2-CG1 4.46Å; F132-I135 WeakPolarHBondContact O-CG1 3.44Å; F132-I135 PolarHBondContact O-N 2.9Å; I135-E138 PolarHBondContact O-N 2.98Å; I135-I139 HydrophobicContact CG1-CD1 4.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.46Å; I135-I139 PolarHBondContact O-N 3.14Å
136L92.8Very high93.9Very high48 Ų4847.9 Ų47.925%0.25125%0.248SC..Hα-helixtrans-60.1-42.4-174.917864.6000113.7L91 F132 E138 I139 M140L91-L136 HydrophobicContact CD1-CD1 3.6Å; F132-L136 HydrophobicContact CE1-CB 4.45Å; F132-L136 HydrophobicContact CE1-CD1 4.28Å; F132-L136 HydrophobicContact CE1-CD2 4.12Å; F132-L136 HydrophobicContact CZ-CD1 4.07Å; F132-L136 VanDerWaalsContact O-CB 3.24Å; F132-L136 WeakPolarHBondContact O-CB 3.18Å; F132-L136 PolarHBondContact O-N 3.4Å; L136-E138 PolarHBondContact O-N 3.16Å; L136-I139 PolarHBondContact O-N 3.38Å; L136-M140 HydrophobicContact CD1-CG 3.92Å; L136-M140 HydrophobicContact CD1-SD 4.43Å; L136-M140 HydrophobicContact CG-CG 4.14Å; L136-M140 WeakPolarHBondContact O-CG 3.31Å; L136-M140 PolarHBondContact O-N 3.41Å
137P90.1Very high94.2Very high63 Ų6342.6 Ų42.641%0.40922%0.224SC..Hα-helixtrans-56.2-45.9178.5-2835.8000112.9A133 I139 M140 I141A133-P137 WeakPolarHBondContact O-CD 3.47Å; P137-I139 VanDerWaalsContact C-N 3.3Å; P137-I139 PolarHBondContact O-N 3.26Å; P137-M140 PolarHBondContact O-N 2.87Å; P137-M140 VanDerWaalsContact O-N 3.16Å; P137-I141 WeakPolarHBondContact O-CG1 3.34Å; P137-I141 PolarHBondContact O-N 2.72Å
138E90.9Very high94.4Very high100 Ų10042.5 Ų42.547%0.46722%0.223SC..Hα-helixtrans-61.9-39.6179.3-172-178175.800111.8I135 L136 R142I135-E138 PolarHBondContact O-N 2.98Å; L136-E138 PolarHBondContact O-N 3.16Å; E138-R142 WeakPolarHBondContact O-CG 3.48Å; E138-R142 PolarHBondContact O-N 3.33Å; E138-R142 IonicContact OE1-CZ 3Å; E138-R142 IonicContact OE1-NE 2.82Å; E138-R142 IonicContact OE1-NH2 3.61Å; E138-R142 PolarHBondContact OE1-NH2 3.44Å
139I94.2Very high94.4Very high9 Ų946.2 Ų46.25%0.04624%0.243CC..Hα-helixtrans-66.5-42.9176.7-63.1165.3000110.6L91 Y95 V98 I135 L136 P137 R142 Y143L91-I139 HydrophobicContact CD1-CG2 4.09Å; L91-I139 HydrophobicContact CD2-CD1 4.23Å; L91-I139 HydrophobicContact CG-CG2 4.25Å; Y95-I139 HydrophobicContact CD1-CG2 4.31Å; Y95-I139 HydrophobicContact CD2-CG2 3.6Å; Y95-I139 HydrophobicContact CE1-CG2 4.33Å; Y95-I139 HydrophobicContact CE2-CG2 3.66Å; Y95-I139 HydrophobicContact CG-CG2 3.96Å; V98-I139 HydrophobicContact CG2-CD1 3.38Å; V98-I139 HydrophobicContact CG2-CG1 4.47Å; I135-I139 HydrophobicContact CG1-CD1 4.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.46Å; I135-I139 PolarHBondContact O-N 3.14Å; L136-I139 PolarHBondContact O-N 3.38Å; P137-I139 VanDerWaalsContact C-N 3.3Å; P137-I139 PolarHBondContact O-N 3.26Å; I139-R142 PolarHBondContact O-N 3.27Å; I139-Y143 WeakPolarHBondContact O-CB 3.44Å; I139-Y143 PolarHBondContact O-N 3.27Å
140M93.4Very high94.5Very high18 Ų1848.4 Ų48.49%0.08925%0.252CS..Hα-helixtrans-63.5-42.3178.4-74-59.8-6000111.6L136 P137 R142 Y143 V144 I181 F189L136-M140 HydrophobicContact CD1-CG 3.92Å; L136-M140 HydrophobicContact CD1-SD 4.43Å; L136-M140 HydrophobicContact CG-CG 4.14Å; L136-M140 WeakPolarHBondContact O-CG 3.31Å; L136-M140 PolarHBondContact O-N 3.41Å; P137-M140 PolarHBondContact O-N 2.87Å; P137-M140 VanDerWaalsContact O-N 3.16Å; M140-R142 PolarHBondContact O-N 3.25Å; M140-Y143 HydrophobicContact CE-CD1 4.39Å; M140-Y143 PolarHBondContact O-N 3.11Å; M140-Y143 HydrophobicContact SD-CD1 4.46Å; M140-V144 WeakPolarHBondContact O-CB 3.46Å; M140-V144 VanDerWaalsContact O-CG2 3.32Å; M140-V144 WeakPolarHBondContact O-CG2 3.45Å; M140-V144 PolarHBondContact O-N 3.04Å; M140-I181 HydrophobicContact CE-CG2 4.17Å; M140-F189 HydrophobicContact SD-CB 3.92Å; M140-F189 HydrophobicContact SD-CD2 4.17Å
141I93.7Very high94.7Very high24 Ų2446.7 Ų46.712%0.12324%0.241CC..Hα-helixtrans-57.6-49.1175.8-70.2166.8000110.6P137 Y143 V144 S145P137-I141 WeakPolarHBondContact O-CG1 3.34Å; P137-I141 PolarHBondContact O-N 2.72Å; I141-Y143 PolarHBondContact O-N 2.95Å; I141-V144 PolarHBondContact O-N 2.72Å; I141-S145 WeakPolarHBondContact O-CB 3.45Å; I141-S145 PolarHBondContact O-N 3.44Å
142R94.1Very high94.8Very high118 Ų11845.3 Ų45.345%0.44524%0.236SC..Hα-helixtrans-61.7-45.1177.9-67.9175.3-174.3-176.72.7111.8E138 I139 M140 V144 S145 D146E138-R142 WeakPolarHBondContact O-CG 3.48Å; E138-R142 PolarHBondContact O-N 3.33Å; E138-R142 IonicContact OE1-CZ 3Å; E138-R142 IonicContact OE1-NE 2.82Å; E138-R142 IonicContact OE1-NH2 3.61Å; E138-R142 PolarHBondContact OE1-NH2 3.44Å; I139-R142 PolarHBondContact O-N 3.27Å; M140-R142 PolarHBondContact O-N 3.25Å; R142-V144 VanDerWaalsContact C-N 3.34Å; R142-V144 PolarHBondContact O-N 2.78Å; R142-S145 PolarHBondContact O-N 3.11Å; R142-D146 PolarHBondContact O-N 3.04Å
143Y95.9Very high94.7Very high27 Ų2748.3 Ų48.311%0.10626%0.264CS..Hα-helixtrans-62-40.9179.5177.4-124.7000112.7I139 M140 I141 I147 F189 G190 K192 I195I139-Y143 WeakPolarHBondContact O-CB 3.44Å; I139-Y143 PolarHBondContact O-N 3.27Å; M140-Y143 HydrophobicContact CE-CD1 4.39Å; M140-Y143 PolarHBondContact O-N 3.11Å; M140-Y143 HydrophobicContact SD-CD1 4.46Å; I141-Y143 PolarHBondContact O-N 2.95Å; Y143-I147 HydrophobicContact CD1-CD1 4.35Å; Y143-I147 HydrophobicContact CD2-CD1 4.28Å; Y143-I147 HydrophobicContact CE1-CD1 3.94Å; Y143-I147 HydrophobicContact CE2-CD1 3.85Å; Y143-I147 HydrophobicContact CE2-CG1 4.5Å; Y143-I147 WeakPolarHBondContact O-CG1 3.48Å; Y143-I147 PolarHBondContact O-N 3.36Å; Y143-F189 AromaticContact CD1-CD2 3.72Å; Y143-F189 HydrophobicContact CD1-CD2 3.72Å; Y143-F189 AromaticContact CD1-CE2 3.84Å; Y143-F189 HydrophobicContact CD1-CE2 3.84Å; Y143-F189 HydrophobicContact CD2-CD2 4.31Å; Y143-F189 AromaticContact CD2-CE2 3.57Å; Y143-F189 HydrophobicContact CD2-CE2 3.57Å; Y143-F189 HydrophobicContact CD2-CZ 4.12Å; Y143-F189 HydrophobicContact CE1-CD2 4.11Å; Y143-F189 HydrophobicContact CE1-CE2 4.23Å; Y143-F189 HydrophobicContact CE2-CE2 4Å; Y143-F189 HydrophobicContact CE2-CZ 4.22Å; Y143-F189 AromaticContact CG-CD2 3.82Å; Y143-F189 HydrophobicContact CG-CD2 3.82Å; Y143-F189 AromaticContact CG-CE2 3.47Å; Y143-F189 HydrophobicContact CG-CE2 3.47Å; Y143-F189 VanDerWaalsContact CG-CE2 3.47Å; Y143-F189 HydrophobicContact CG-CZ 4.43Å; Y143-G190 WeakPolarHBondContact OH-CA 3.29Å; Y143-K192 WeakPolarHBondContact OH-CB 3.37Å; Y143-K192 PolarHBondContact OH-N 2.92Å; Y143-I195 HydrophobicContact CD1-CD1 3.89Å; Y143-I195 HydrophobicContact CE1-CD1 3.43Å; Y143-I195 VanDerWaalsContact CE1-CD1 3.43Å
144V96.6Very high94.8Very high0 Ų049.6 Ų49.60%027%0.269CS..Hα-helixtrans-69.2-45.3176170.80000110.4M140 I141 R142 D146 I147 V148 T174 T177 N178 I181 I195M140-V144 WeakPolarHBondContact O-CB 3.46Å; M140-V144 VanDerWaalsContact O-CG2 3.32Å; M140-V144 WeakPolarHBondContact O-CG2 3.45Å; M140-V144 PolarHBondContact O-N 3.04Å; I141-V144 PolarHBondContact O-N 2.72Å; R142-V144 VanDerWaalsContact C-N 3.34Å; R142-V144 PolarHBondContact O-N 2.78Å; V144-D146 VanDerWaalsContact C-N 3.32Å; V144-D146 PolarHBondContact O-N 2.73Å; V144-I147 WeakPolarHBondContact O-CB 3.26Å; V144-I147 PolarHBondContact O-N 2.93Å; V144-V148 HydrophobicContact CG1-CG2 4.07Å; V144-V148 WeakPolarHBondContact O-CG2 3.38Å; V144-V148 PolarHBondContact O-N 3.41Å; V144-T174 HydrophobicContact CG1-CG2 4.43Å; V144-T177 HydrophobicContact CG1-CG2 3.61Å; V144-N178 WeakPolarHBondContact CB-OD1 3.47Å; V144-N178 VanDerWaalsContact CG2-OD1 3.32Å; V144-N178 WeakPolarHBondContact CG2-OD1 3.46Å; V144-I181 HydrophobicContact CG2-CD1 3.56Å; V144-I195 HydrophobicContact CG2-CD1 4.21Å; V144-I195 HydrophobicContact CG2-CG2 4.32Å
145S96.8Very high95Very high35 Ų3545.6 Ų45.625%0.24525%0.25CS..Hα-helixtrans-54.2-47.4176.3-169.10000111.6I141 R142 I147 V148 D149I141-S145 WeakPolarHBondContact O-CB 3.45Å; I141-S145 PolarHBondContact O-N 3.44Å; R142-S145 PolarHBondContact O-N 3.11Å; S145-I147 VanDerWaalsContact C-N 3.27Å; S145-I147 PolarHBondContact O-N 3.33Å; S145-V148 PolarHBondContact O-N 2.95Å; S145-V148 VanDerWaalsContact O-N 3.16Å; S145-D149 WeakPolarHBondContact O-CB 3.36Å; S145-D149 VanDerWaalsContact O-CG 3.31Å; S145-D149 PolarHBondContact O-N 3.08Å
146D96.9Very high95Very high100 Ų10048.6 Ų48.654%0.53528%0.277SS..Hα-helixtrans-59.2-38.2178.1-73.4-21.4000112.3R142 V144 E150R142-D146 PolarHBondContact O-N 3.04Å; V144-D146 VanDerWaalsContact C-N 3.32Å; V144-D146 PolarHBondContact O-N 2.73Å; D146-E150 PolarHBondContact O-N 2.91Å
147I98Very high94.9Very high4 Ų450.5 Ų50.52%0.02128%0.283CS..Hα-helixtrans-70.8-43.8177-66.9166.6000110.6Y143 V144 S145 E150 Q151 K192 I195 V196Y143-I147 HydrophobicContact CD1-CD1 4.35Å; Y143-I147 HydrophobicContact CD2-CD1 4.28Å; Y143-I147 HydrophobicContact CE1-CD1 3.94Å; Y143-I147 HydrophobicContact CE2-CD1 3.85Å; Y143-I147 HydrophobicContact CE2-CG1 4.5Å; Y143-I147 WeakPolarHBondContact O-CG1 3.48Å; Y143-I147 PolarHBondContact O-N 3.36Å; V144-I147 WeakPolarHBondContact O-CB 3.26Å; V144-I147 PolarHBondContact O-N 2.93Å; S145-I147 VanDerWaalsContact C-N 3.27Å; S145-I147 PolarHBondContact O-N 3.33Å; I147-E150 PolarHBondContact O-N 3.11Å; I147-Q151 HydrophobicContact CG2-CG 4.39Å; I147-Q151 WeakPolarHBondContact O-CG 3.22Å; I147-Q151 PolarHBondContact O-N 3.13Å; I147-K192 HydrophobicContact CD1-CB 4.4Å; I147-K192 HydrophobicContact CD1-CG 3.92Å; I147-K192 HydrophobicContact CG1-CD 4.47Å; I147-K192 HydrophobicContact CG1-CG 4.25Å; I147-I195 HydrophobicContact CB-CG2 4.31Å; I147-I195 HydrophobicContact CD1-CB 4.07Å; I147-I195 HydrophobicContact CD1-CD1 3.86Å; I147-I195 HydrophobicContact CD1-CG2 3.86Å; I147-I195 HydrophobicContact CG2-CG2 3.96Å; I147-V196 HydrophobicContact CG2-CG2 3.75Å
148V98Very high94.9Very high0 Ų047.8 Ų47.80%027%0.265CS..Hα-helixtrans-61.2-47.8179172.20000110.2V144 S145 E150 Q151 V152 A170 I173 V199V144-V148 HydrophobicContact CG1-CG2 4.07Å; V144-V148 WeakPolarHBondContact O-CG2 3.38Å; V144-V148 PolarHBondContact O-N 3.41Å; S145-V148 PolarHBondContact O-N 2.95Å; S145-V148 VanDerWaalsContact O-N 3.16Å; V148-E150 VanDerWaalsContact C-N 3.3Å; V148-E150 PolarHBondContact O-N 3.48Å; V148-Q151 PolarHBondContact O-N 3.06Å; V148-Q151 VanDerWaalsContact O-N 3.12Å; V148-V152 HydrophobicContact CG1-CG2 3.91Å; V148-V152 WeakPolarHBondContact O-CB 3.46Å; V148-V152 VanDerWaalsContact O-CG2 3.32Å; V148-V152 WeakPolarHBondContact O-CG2 3.36Å; V148-V152 PolarHBondContact O-N 3.33Å; V148-A170 HydrophobicContact CG1-CB 4.01Å; V148-A170 WeakPolarHBondContact CG1-O 3.41Å; V148-I173 HydrophobicContact CG1-CB 3.97Å; V148-I173 HydrophobicContact CG1-CG2 3.88Å; V148-I173 HydrophobicContact CG2-CG2 3.93Å; V148-V199 HydrophobicContact CG2-CG1 4.28Å; V148-V199 HydrophobicContact CG2-CG2 3.62Å
149D97.1Very high94.8Very high77 Ų7749.4 Ų49.441%0.41227%0.271SS..Hα-helixtrans-58.2-43178.4-72.1-24.4000111.5S145 A153S145-D149 WeakPolarHBondContact O-CB 3.36Å; S145-D149 VanDerWaalsContact O-CG 3.31Å; S145-D149 PolarHBondContact O-N 3.08Å; D149-A153 WeakPolarHBondContact O-CB 3.37Å; D149-A153 PolarHBondContact O-N 2.87Å
150E97.2Very high94.6Very high99 Ų9956.1 Ų56.146%0.46330%0.302SS..Hα-helixtrans-62.4-44.5175.5-173.8-177.6-175.300112.1D146 I147 V148 S154 K192D146-E150 PolarHBondContact O-N 2.91Å; I147-E150 PolarHBondContact O-N 3.11Å; V148-E150 VanDerWaalsContact C-N 3.3Å; V148-E150 PolarHBondContact O-N 3.48Å; E150-S154 WeakPolarHBondContact O-CB 3.5Å; E150-S154 PolarHBondContact O-N 2.9Å; E150-S154 PolarHBondContact O-OG 3.35Å; E150-K192 IonicContact OE1-NZ 2.61Å; E150-K192 IonicContact OE2-NZ 2.72Å; E150-K192 PolarHBondContact OE2-NZ 3.21Å
151Q97.2Very high94.5Very high33 Ų3357.4 Ų57.415%0.15431%0.309CS..Hα-helixtrans-70.2-43.6179.8-68.1-47.7-60.800112.2I147 V148 A153 S154 S155 V196 V199 I203I147-Q151 HydrophobicContact CG2-CG 4.39Å; I147-Q151 WeakPolarHBondContact O-CG 3.22Å; I147-Q151 PolarHBondContact O-N 3.13Å; V148-Q151 PolarHBondContact O-N 3.06Å; V148-Q151 VanDerWaalsContact O-N 3.12Å; Q151-A153 PolarHBondContact O-N 3.04Å; Q151-S154 PolarHBondContact O-N 3.34Å; Q151-S154 PolarHBondContact O-OG 3.09Å; Q151-S155 WeakPolarHBondContact O-CA 3.48Å; Q151-S155 WeakPolarHBondContact O-CB 3.06Å; Q151-S155 PolarHBondContact O-N 2.93Å; Q151-V196 HydrophobicContact CG-CG2 4.49Å; Q151-V199 HydrophobicContact CB-CG1 3.57Å; Q151-V199 HydrophobicContact CG-CB 4.42Å; Q151-V199 HydrophobicContact CG-CG1 3.77Å; Q151-I203 HydrophobicContact CB-CD1 4.11Å
152V95.8Very high94.5Very high6 Ų659.9 Ų59.94%0.03633%0.325CS..Hα-helixtrans-63.1-44178.41700000110.5V148 S154 S155 L158 K166 A170 I173V148-V152 HydrophobicContact CG1-CG2 3.91Å; V148-V152 WeakPolarHBondContact O-CB 3.46Å; V148-V152 VanDerWaalsContact O-CG2 3.32Å; V148-V152 WeakPolarHBondContact O-CG2 3.36Å; V148-V152 PolarHBondContact O-N 3.33Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.16Å; V152-S155 PolarHBondContact O-N 3.38Å; V152-L158 HydrophobicContact CB-CD1 4.36Å; V152-L158 HydrophobicContact CG1-CD1 3.99Å; V152-L158 HydrophobicContact CG2-CD1 4.14Å; V152-K166 HydrophobicContact CG1-CB 3.93Å; V152-K166 HydrophobicContact CG1-CG 4.22Å; V152-A170 HydrophobicContact CG2-CB 4.28Å; V152-I173 HydrophobicContact CG2-CD1 3.97Å
153A94.1Very high94.4Very high78 Ų7860.8 Ų60.865%0.64534%0.339SS*.Hα-helixtrans-64.9-33.9178.900000113.2D149 Q151D149-A153 WeakPolarHBondContact O-CB 3.37Å; D149-A153 PolarHBondContact O-N 2.87Å; Q151-A153 PolarHBondContact O-N 3.04Å
154S94.4Very high94.2Very high82 Ų8264.5 Ų64.557%0.57336%0.356SS*.Hα-helixtrans-95.1-7.8-178.162.50000114.4E150 Q151 V152 A156E150-S154 WeakPolarHBondContact O-CB 3.5Å; E150-S154 PolarHBondContact O-N 2.9Å; E150-S154 PolarHBondContact O-OG 3.35Å; Q151-S154 PolarHBondContact O-N 3.34Å; Q151-S154 PolarHBondContact O-OG 3.09Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.16Å; S154-A156 PolarHBondContact O-N 3.12Å
155S94.6Very high93.9Very high22 Ų2267.8 Ų67.815%0.15437%0.371CS..  trans-69.6118.4-176.2177.80000112.6Q151 V152 K157 L158Q151-S155 WeakPolarHBondContact O-CA 3.48Å; Q151-S155 WeakPolarHBondContact O-CB 3.06Å; Q151-S155 PolarHBondContact O-N 2.93Å; V152-S155 PolarHBondContact O-N 3.38Å; S155-K157 PolarHBondContact O-N 2.78Å; S155-K157 PolarHBondContact OG-N 2.8Å; S155-L158 PolarHBondContact O-N 3.48Å; S155-L158 PolarHBondContact OG-N 3.03Å
156A92.7Very high93.8Very high78 Ų7868.4 Ų68.465%0.64537%0.369SS*.SBendtrans-66-24.1171.700000112.9S154 L158 K159S154-A156 PolarHBondContact O-N 3.12Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-K159 WeakPolarHBondContact O-CD 3.35Å; A156-K159 WeakPolarHBondContact O-CG 3.21Å
157K91.2Very high93.7Very high88 Ų8869.2 Ų69.238%0.38337%0.37SS..THydrogen-bonded Turntrans-71.7-31.2179.2-62.3170.7-176.4167.20111.5S155 I203 D204 E207S155-K157 PolarHBondContact O-N 2.78Å; S155-K157 PolarHBondContact OG-N 2.8Å; K157-I203 HydrophobicContact CB-CG2 4.08Å; K157-I203 HydrophobicContact CD-CG2 3.9Å; K157-D204 WeakPolarHBondContact CD-OD1 3.5Å; K157-D204 VanDerWaalsContact CE-OD1 3.22Å; K157-D204 WeakPolarHBondContact CE-OD1 3.49Å; K157-D204 IonicContact NZ-OD1 3.17Å; K157-D204 PolarHBondContact NZ-OD1 3.03Å; K157-D204 IonicContact NZ-OD2 3.12Å; K157-D204 PolarHBondContact NZ-OD2 3.03Å; K157-E207 WeakPolarHBondContact CB-OE2 3.36Å; K157-E207 WeakPolarHBondContact CD-OE2 3.24Å; K157-E207 WeakPolarHBondContact CG-OE2 3.3Å
158L90.7Very high93.5Very high5 Ų569.4 Ų69.43%0.02637%0.371CS..THydrogen-bonded Turntrans-97.611.8-179.6-55.8-175.8000113.1V152 S155 A156 E160 L161 K166 I203 L206V152-L158 HydrophobicContact CB-CD1 4.36Å; V152-L158 HydrophobicContact CG1-CD1 3.99Å; V152-L158 HydrophobicContact CG2-CD1 4.14Å; S155-L158 PolarHBondContact O-N 3.48Å; S155-L158 PolarHBondContact OG-N 3.03Å; A156-L158 VanDerWaalsContact C-N 3.34Å; L158-E160 VanDerWaalsContact C-N 3.25Å; L158-E160 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CB-CD1 4.1Å; L158-L161 HydrophobicContact CD2-CD1 3.84Å; L158-L161 HydrophobicContact CG-CD1 4.4Å; L158-L161 WeakPolarHBondContact O-CB 3.35Å; L158-L161 PolarHBondContact O-N 3.24Å; L158-K166 WeakPolarHBondContact O-CE 3.16Å; L158-I203 HydrophobicContact CD1-CD1 4.49Å; L158-I203 HydrophobicContact CD1-CG1 4.17Å; L158-I203 HydrophobicContact CD1-CG2 4.22Å; L158-I203 HydrophobicContact CD2-CG2 4.21Å; L158-I203 HydrophobicContact CG-CG2 4.02Å; L158-L206 HydrophobicContact CD2-CD2 4.36Å
159K89Confident93.4Very high135 Ų13569.4 Ų69.459%0.58737%0.371SS*.THydrogen-bonded Turntrans-63.8-27.9-173.375.8-174.7172.992.90114.5A156 L161A156-K159 WeakPolarHBondContact O-CD 3.35Å; A156-K159 WeakPolarHBondContact O-CG 3.21Å; K159-L161 VanDerWaalsContact C-N 3.35Å
160E90.1Very high93.3Very high150 Ų15066.1 Ų66.170%0.70135%0.354SS*.THydrogen-bonded Turntrans-85.7-11-177.5-60-61.1141.900112.5L158L158-E160 VanDerWaalsContact C-N 3.25Å; L158-E160 PolarHBondContact O-N 2.94Å
161L91.2Very high93.3Very high44 Ų4462.3 Ų62.323%0.2334%0.337CS..SBendtrans-72142.8174.7-63.2-174.2000110.7L158 K159 E165 K166 I212L158-L161 HydrophobicContact CB-CD1 4.1Å; L158-L161 HydrophobicContact CD2-CD1 3.84Å; L158-L161 HydrophobicContact CG-CD1 4.4Å; L158-L161 WeakPolarHBondContact O-CB 3.35Å; L158-L161 PolarHBondContact O-N 3.24Å; K159-L161 VanDerWaalsContact C-N 3.35Å; L161-E165 HydrophobicContact CB-CB 3.87Å; L161-E165 HydrophobicContact CD1-CB 4.33Å; L161-E165 HydrophobicContact CD2-CB 4.14Å; L161-E165 HydrophobicContact CG-CB 4.33Å; L161-K166 HydrophobicContact CB-CG 3.9Å; L161-K166 WeakPolarHBondContact O-CE 3.38Å; L161-I212 HydrophobicContact CD1-CD1 4Å; L161-I212 HydrophobicContact CD2-CD1 4.26Å
162T92.6Very high93.1Very high77 Ų7761.2 Ų61.247%0.47233%0.333SS..  trans-65.3163.1168630000111.2K164 E165 K166T162-K164 PolarHBondContact O-N 2.99Å; T162-E165 WeakPolarHBondContact CB-OE2 3.29Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.4Å; T162-E165 PolarHBondContact N-OE2 3.23Å; T162-E165 PolarHBondContact O-N 3.19Å; T162-E165 WeakPolarHBondContact OG1-CB 3.34Å; T162-E165 VanDerWaalsContact OG1-CG 3.29Å; T162-E165 WeakPolarHBondContact OG1-CG 3.41Å; T162-E165 PolarHBondContact OG1-N 2.63Å; T162-E165 PolarHBondContact OG1-OE2 3.31Å; T162-K166 WeakPolarHBondContact O-CG 3.3Å; T162-K166 PolarHBondContact O-N 3.33Å
163D92.2Very high93.1Very high137 Ų13761 Ų6173%0.73333%0.331SS*.Hα-helixtrans-59.8-36.6177.9-63.6-25.1000111.9K166 E167D163-K166 PolarHBondContact O-N 2.94Å; D163-E167 PolarHBondContact O-N 3.42Å
164K91.1Very high93.2Very high104 Ų10457.4 Ų57.445%0.45230%0.301SS..Hα-helixtrans-62.5-48.7174.4-179.2-173.2172-165.70111.6T162 K166 E167 E168 D228T162-K164 PolarHBondContact O-N 2.99Å; K164-K166 VanDerWaalsContact C-N 3.28Å; K164-K166 PolarHBondContact O-N 2.92Å; K164-E167 WeakPolarHBondContact O-CB 3.34Å; K164-E167 PolarHBondContact O-N 3.11Å; K164-E168 WeakPolarHBondContact CE-OE1 3.16Å; K164-E168 WeakPolarHBondContact O-CG 3.37Å; K164-E168 PolarHBondContact O-N 3.25Å; K164-D228 WeakPolarHBondContact CE-OD1 3.46Å; K164-D228 IonicContact NZ-OD1 2.63Å; K164-D228 PolarHBondContact NZ-OD1 2.88Å; K164-D228 IonicContact NZ-OD2 2.7Å
165E92.2Very high93.2Very high70 Ų7053.9 Ų53.933%0.32728%0.276SS..Hα-helixtrans-64.1-34.3178.1-74.9166.3137.400111.8L161 T162 E168 A169 I212L161-E165 HydrophobicContact CB-CB 3.87Å; L161-E165 HydrophobicContact CD1-CB 4.33Å; L161-E165 HydrophobicContact CD2-CB 4.14Å; L161-E165 HydrophobicContact CG-CB 4.33Å; T162-E165 WeakPolarHBondContact CB-OE2 3.29Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.4Å; T162-E165 PolarHBondContact N-OE2 3.23Å; T162-E165 PolarHBondContact O-N 3.19Å; T162-E165 WeakPolarHBondContact OG1-CB 3.34Å; T162-E165 VanDerWaalsContact OG1-CG 3.29Å; T162-E165 WeakPolarHBondContact OG1-CG 3.41Å; T162-E165 PolarHBondContact OG1-N 2.63Å; T162-E165 PolarHBondContact OG1-OE2 3.31Å; E165-E168 PolarHBondContact O-N 3.44Å; E165-A169 VanDerWaalsContact O-CB 3.25Å; E165-A169 WeakPolarHBondContact O-CB 3.35Å; E165-A169 PolarHBondContact O-N 3.08Å; E165-I212 HydrophobicContact CB-CD1 3.56Å; E165-I212 HydrophobicContact CG-CD1 3.92Å; E165-I212 WeakPolarHBondContact O-CD1 3.33Å
166K93.9Very high93.1Very high48 Ų4855.1 Ų55.121%0.20928%0.281CS..Hα-helixtrans-67.5-40.9174.3-73.4178.5-175.7170.30112.5V152 L158 L161 T162 D163 K164 E168 A169 A170V152-K166 HydrophobicContact CG1-CB 3.93Å; V152-K166 HydrophobicContact CG1-CG 4.22Å; L158-K166 WeakPolarHBondContact O-CE 3.16Å; L161-K166 HydrophobicContact CB-CG 3.9Å; L161-K166 WeakPolarHBondContact O-CE 3.38Å; T162-K166 WeakPolarHBondContact O-CG 3.3Å; T162-K166 PolarHBondContact O-N 3.33Å; D163-K166 PolarHBondContact O-N 2.94Å; K164-K166 VanDerWaalsContact C-N 3.28Å; K164-K166 PolarHBondContact O-N 2.92Å; K166-E168 VanDerWaalsContact C-N 3.34Å; K166-A169 PolarHBondContact O-N 3.09Å; K166-A170 WeakPolarHBondContact O-CB 3.3Å; K166-A170 PolarHBondContact O-N 2.87Å
167E94.1Very high93.2Very high117 Ų11751.5 Ų51.555%0.54725%0.251SS..Hα-helixtrans-60.6-45.5174.5-174.7-179.9175.600110.7D163 K164 A170 V171 M270D163-E167 PolarHBondContact O-N 3.42Å; K164-E167 WeakPolarHBondContact O-CB 3.34Å; K164-E167 PolarHBondContact O-N 3.11Å; E167-A170 PolarHBondContact O-N 3.45Å; E167-V171 WeakPolarHBondContact O-CG2 3.46Å; E167-V171 PolarHBondContact O-N 3.48Å; E167-M270 HydrophobicContact CG-CE 4.06Å
168E94.5Very high93.3Very high8 Ų848 Ų484%0.03724%0.237CC..Hα-helixtrans-65.6-42.3177.1-68.6169.6-173.500112.7K164 E165 K166 A170 V171 I172 I212 F214 R266 M270K164-E168 WeakPolarHBondContact CE-OE1 3.16Å; K164-E168 WeakPolarHBondContact O-CG 3.37Å; K164-E168 PolarHBondContact O-N 3.25Å; E165-E168 PolarHBondContact O-N 3.44Å; K166-E168 VanDerWaalsContact C-N 3.34Å; E168-A170 VanDerWaalsContact C-N 3.31Å; E168-A170 PolarHBondContact O-N 2.88Å; E168-V171 PolarHBondContact O-N 2.91Å; E168-I172 WeakPolarHBondContact O-CG1 3.29Å; E168-I172 PolarHBondContact O-N 3.45Å; E168-I212 HydrophobicContact CB-CG2 3.57Å; E168-F214 HydrophobicContact CB-CE2 4.29Å; E168-F214 HydrophobicContact CB-CZ 4.2Å; E168-F214 HydrophobicContact CG-CE2 4.32Å; E168-F214 HydrophobicContact CG-CZ 4.35Å; E168-R266 IonicContact OE1-CZ 3.81Å; E168-R266 IonicContact OE1-NH1 3.59Å; E168-R266 PolarHBondContact OE1-NH1 3.3Å; E168-R266 IonicContact OE1-NH2 3.43Å; E168-R266 PolarHBondContact OE1-NH2 3.12Å; E168-R266 IonicContact OE2-NH2 2.73Å; E168-M270 HydrophobicContact CG-CE 3.96Å; E168-M270 HydrophobicContact CG-SD 4.17Å
169A94.8Very high93.3Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-58.1-44.1173.300000111.3E165 K166 V171 I172 I173 L206E165-A169 VanDerWaalsContact O-CB 3.25Å; E165-A169 WeakPolarHBondContact O-CB 3.35Å; E165-A169 PolarHBondContact O-N 3.08Å; K166-A169 PolarHBondContact O-N 3.09Å; A169-V171 VanDerWaalsContact C-N 3.35Å; A169-V171 PolarHBondContact O-N 2.95Å; A169-I172 PolarHBondContact O-N 3.38Å; A169-I173 HydrophobicContact CB-CD1 4.41Å; A169-I173 WeakPolarHBondContact O-CB 3.32Å; A169-I173 WeakPolarHBondContact O-CD1 3.34Å; A169-I173 WeakPolarHBondContact O-CG1 3.32Å; A169-I173 PolarHBondContact O-N 2.97Å; A169-L206 HydrophobicContact CB-CD2 3.44Å; A169-L206 VanDerWaalsContact CB-CD2 3.44Å
170A96.5Very high93.4Very high7 Ų748.8 Ų48.86%0.05824%0.242CC..Hα-helixtrans-62.1-41.2178.200000112V148 V152 K166 E167 E168 T174V148-A170 HydrophobicContact CG1-CB 4.01Å; V148-A170 WeakPolarHBondContact CG1-O 3.41Å; V152-A170 HydrophobicContact CG2-CB 4.28Å; K166-A170 WeakPolarHBondContact O-CB 3.3Å; K166-A170 PolarHBondContact O-N 2.87Å; E167-A170 PolarHBondContact O-N 3.45Å; E168-A170 VanDerWaalsContact C-N 3.31Å; E168-A170 PolarHBondContact O-N 2.88Å; A170-T174 WeakPolarHBondContact O-CB 3.42Å; A170-T174 PolarHBondContact O-N 3.33Å; A170-T174 PolarHBondContact O-OG1 3.26Å
171V96Very high93.5Very high19 Ų1942.3 Ų42.312%0.11521%0.212CC..Hα-helixtrans-62.8-48176.5173.90000111.2E167 E168 A169 T174 S175 F214 M270 Y273 A274E167-V171 WeakPolarHBondContact O-CG2 3.46Å; E167-V171 PolarHBondContact O-N 3.48Å; E168-V171 PolarHBondContact O-N 2.91Å; A169-V171 VanDerWaalsContact C-N 3.35Å; A169-V171 PolarHBondContact O-N 2.95Å; V171-T174 PolarHBondContact O-N 3.39Å; V171-S175 PolarHBondContact O-N 3.11Å; V171-F214 HydrophobicContact CB-CE1 4.23Å; V171-F214 HydrophobicContact CB-CZ 4.48Å; V171-F214 HydrophobicContact CG1-CE1 3.64Å; V171-F214 HydrophobicContact CG1-CZ 4.29Å; V171-M270 HydrophobicContact CG1-CB 4.39Å; V171-M270 WeakPolarHBondContact CG1-O 3.46Å; V171-M270 HydrophobicContact CG2-CB 4.46Å; V171-M270 HydrophobicContact CG2-CE 4.08Å; V171-Y273 HydrophobicContact CG1-CD1 4.13Å; V171-A274 HydrophobicContact CG1-CB 3.95Å
172I94.3Very high93.3Very high11 Ų1144.7 Ų44.76%0.05622%0.222CC..Hα-helixtrans-62.6-50.2178.9-66.8173.5000110.6E168 A169 T174 S175 D176 I212 F214E168-I172 WeakPolarHBondContact O-CG1 3.29Å; E168-I172 PolarHBondContact O-N 3.45Å; A169-I172 PolarHBondContact O-N 3.38Å; I172-T174 VanDerWaalsContact C-N 3.27Å; I172-T174 PolarHBondContact O-N 3.25Å; I172-S175 WeakPolarHBondContact O-CB 3.35Å; I172-S175 PolarHBondContact O-N 3.36Å; I172-D176 PolarHBondContact O-N 3.1Å; I172-I212 HydrophobicContact CD1-CG2 3.75Å; I172-F214 HydrophobicContact CD1-CD1 4.41Å; I172-F214 HydrophobicContact CD1-CD2 4.32Å; I172-F214 HydrophobicContact CD1-CE1 4.38Å; I172-F214 HydrophobicContact CD1-CE2 4.29Å; I172-F214 HydrophobicContact CD1-CG 4.38Å; I172-F214 HydrophobicContact CD1-CZ 4.32Å; I172-F214 HydrophobicContact CG1-CD1 3.86Å; I172-F214 HydrophobicContact CG1-CE1 3.71Å; I172-F214 HydrophobicContact CG1-CE2 4.46Å; I172-F214 HydrophobicContact CG1-CG 4.31Å; I172-F214 HydrophobicContact CG1-CZ 4.03Å
173I95.7Very high93.1Very high2 Ų249.1 Ų49.11%0.0124%0.239CC..Hα-helixtrans-62.7-38-178.4-65.8163.3000110.7V148 V152 A169 T177 V199 E202 I203 L206V148-I173 HydrophobicContact CG1-CB 3.97Å; V148-I173 HydrophobicContact CG1-CG2 3.88Å; V148-I173 HydrophobicContact CG2-CG2 3.93Å; V152-I173 HydrophobicContact CG2-CD1 3.97Å; A169-I173 HydrophobicContact CB-CD1 4.41Å; A169-I173 WeakPolarHBondContact O-CB 3.32Å; A169-I173 WeakPolarHBondContact O-CD1 3.34Å; A169-I173 WeakPolarHBondContact O-CG1 3.32Å; A169-I173 PolarHBondContact O-N 2.97Å; I173-T177 WeakPolarHBondContact O-CB 3.35Å; I173-T177 PolarHBondContact O-N 3.27Å; I173-T177 PolarHBondContact O-OG1 3.14Å; I173-V199 HydrophobicContact CG2-CB 4.47Å; I173-V199 HydrophobicContact CG2-CG1 4.03Å; I173-V199 HydrophobicContact CG2-CG2 4.36Å; I173-E202 HydrophobicContact CB-CB 4.49Å; I173-E202 HydrophobicContact CG1-CB 4.09Å; I173-E202 HydrophobicContact CG2-CB 3.94Å; I173-I203 HydrophobicContact CD1-CG1 3.79Å; I173-L206 HydrophobicContact CD1-CD2 4.43Å
174T96.3Very high92.9Very high2 Ų244.4 Ų44.41%0.01222%0.217CC..Hα-helixtrans-62.7-47.9175.8-630000111.1V144 A170 V171 I172 T177 N178V144-T174 HydrophobicContact CG1-CG2 4.43Å; A170-T174 WeakPolarHBondContact O-CB 3.42Å; A170-T174 PolarHBondContact O-N 3.33Å; A170-T174 PolarHBondContact O-OG1 3.26Å; V171-T174 PolarHBondContact O-N 3.39Å; I172-T174 VanDerWaalsContact C-N 3.27Å; I172-T174 PolarHBondContact O-N 3.25Å; T174-T177 PolarHBondContact O-N 3.35Å; T174-N178 WeakPolarHBondContact CG2-ND2 3.37Å; T174-N178 WeakPolarHBondContact O-CB 3.42Å; T174-N178 PolarHBondContact O-N 2.83Å; T174-N178 PolarHBondContact O-ND2 3.37Å; T174-N178 VanDerWaalsContact O-ND2 3.09Å
175S93.7Very high92.6Very high7 Ų742.4 Ų42.45%0.04923%0.226CC..Hα-helixtrans-57.3-57.9175.4-1700000110.9V171 I172 T177 N178 D179 Y273V171-S175 PolarHBondContact O-N 3.11Å; I172-S175 WeakPolarHBondContact O-CB 3.35Å; I172-S175 PolarHBondContact O-N 3.36Å; S175-T177 VanDerWaalsContact C-N 3.26Å; S175-T177 PolarHBondContact O-N 3.41Å; S175-N178 PolarHBondContact O-N 3.39Å; S175-N178 VanDerWaalsContact O-N 3.08Å; S175-D179 PolarHBondContact O-N 3.49Å; S175-D179 VanDerWaalsContact O-OD1 3.09Å; S175-Y273 WeakPolarHBondContact OG-CE1 3.46Å
176D92.5Very high92.3Very high48 Ų4846.2 Ų46.226%0.25724%0.244SC..Hα-helixtrans-59.3-37.5-176.2-68.3-7.1000111.9I172 F180 E202I172-D176 PolarHBondContact O-N 3.1Å; D176-F180 PolarHBondContact O-N 3.25Å; D176-E202 HydrophobicContact CB-CG 4.43Å
177T94.8Very high92.2Very high2 Ų245 Ų451%0.01224%0.24CC..Hα-helixtrans-69-44.1177.4-60.90000111.6V144 I173 T174 S175 F180 I181 I195 M198 V199V144-T177 HydrophobicContact CG1-CG2 3.61Å; I173-T177 WeakPolarHBondContact O-CB 3.35Å; I173-T177 PolarHBondContact O-N 3.27Å; I173-T177 PolarHBondContact O-OG1 3.14Å; T174-T177 PolarHBondContact O-N 3.35Å; S175-T177 VanDerWaalsContact C-N 3.26Å; S175-T177 PolarHBondContact O-N 3.41Å; T177-F180 PolarHBondContact O-N 3.47Å; T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 VanDerWaalsContact O-CG1 3.29Å; T177-I181 WeakPolarHBondContact O-CG1 2.77Å; T177-I181 PolarHBondContact O-N 3.48Å; T177-I195 HydrophobicContact CG2-CG2 4.2Å; T177-M198 HydrophobicContact CG2-CE 4.03Å; T177-V199 HydrophobicContact CG2-CG2 4.3Å
178N93.3Very high92.1Very high16 Ų1646.2 Ų46.29%0.08624%0.243CC..Hα-helixtrans-65.7-42.8178.7-78.6-37.4000111.6V144 T174 S175 F180 I181 E182V144-N178 WeakPolarHBondContact CB-OD1 3.47Å; V144-N178 VanDerWaalsContact CG2-OD1 3.32Å; V144-N178 WeakPolarHBondContact CG2-OD1 3.46Å; T174-N178 WeakPolarHBondContact CG2-ND2 3.37Å; T174-N178 WeakPolarHBondContact O-CB 3.42Å; T174-N178 PolarHBondContact O-N 2.83Å; T174-N178 PolarHBondContact O-ND2 3.37Å; T174-N178 VanDerWaalsContact O-ND2 3.09Å; S175-N178 PolarHBondContact O-N 3.39Å; S175-N178 VanDerWaalsContact O-N 3.08Å; N178-F180 VanDerWaalsContact C-N 3.28Å; N178-F180 PolarHBondContact O-N 3.24Å; N178-I181 WeakPolarHBondContact O-CB 3.37Å; N178-I181 PolarHBondContact O-N 3.35Å; N178-E182 WeakPolarHBondContact O-CB 3.43Å; N178-E182 PolarHBondContact O-N 3.34Å
179D90Very high92.1Very high35 Ų3547.4 Ų47.419%0.18725%0.248CC..Hα-helixtrans-56-46176.7-65.70.2000110.6S175 E182 M183 P278S175-D179 PolarHBondContact O-N 3.49Å; S175-D179 VanDerWaalsContact O-OD1 3.09Å; D179-E182 PolarHBondContact O-N 3.01Å; D179-M183 WeakPolarHBondContact O-CB 3.49Å; D179-M183 VanDerWaalsContact O-CG 3.22Å; D179-M183 WeakPolarHBondContact O-CG 3.38Å; D179-M183 PolarHBondContact O-N 2.88Å; D179-P278 HydrophobicContact CB-CG 4.28Å; D179-P278 WeakPolarHBondContact OD1-CD 3.43Å; D179-P278 WeakPolarHBondContact OD1-CG 3.39Å; D179-P278 WeakPolarHBondContact OD2-CG 3.34Å
180F91Very high92Very high121 Ų12149.5 Ų49.553%0.53127%0.269SS..Hα-helixtrans-64.7-41.8176.1-175-81000112.7D176 T177 N178 E182 S184 M198D176-F180 PolarHBondContact O-N 3.25Å; T177-F180 PolarHBondContact O-N 3.47Å; N178-F180 VanDerWaalsContact C-N 3.28Å; N178-F180 PolarHBondContact O-N 3.24Å; F180-E182 VanDerWaalsContact C-N 3.35Å; F180-S184 VanDerWaalsContact O-CB 3.26Å; F180-S184 WeakPolarHBondContact O-CB 3.4Å; F180-S184 PolarHBondContact O-N 3.06Å; F180-S184 PolarHBondContact O-OG 2.96Å; F180-M198 HydrophobicContact CB-CE 3.72Å; F180-M198 HydrophobicContact CD1-CE 3.13Å; F180-M198 HydrophobicContact CD1-SD 4.03Å; F180-M198 HydrophobicContact CE1-CE 3.91Å; F180-M198 HydrophobicContact CE1-SD 4.28Å; F180-M198 HydrophobicContact CG-CE 3.63Å
181I92.2Very high91.9Very high14 Ų1452 Ų527%0.07228%0.28CS..Hα-helixtrans-60.4-47.4178.9-74.3168.2000110.2M140 V144 T177 N178 S184 G185 I187 I195 M198M140-I181 HydrophobicContact CE-CG2 4.17Å; V144-I181 HydrophobicContact CG2-CD1 3.56Å; T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 VanDerWaalsContact O-CG1 3.29Å; T177-I181 WeakPolarHBondContact O-CG1 2.77Å; T177-I181 PolarHBondContact O-N 3.48Å; N178-I181 WeakPolarHBondContact O-CB 3.37Å; N178-I181 PolarHBondContact O-N 3.35Å; I181-S184 PolarHBondContact O-OG 3.43Å; I181-S184 VanDerWaalsContact O-OG 3.08Å; I181-G185 PolarHBondContact O-N 2.99Å; I181-I187 HydrophobicContact CD1-CG2 4.25Å; I181-I187 HydrophobicContact CG1-CB 3.98Å; I181-I187 HydrophobicContact CG1-CG1 4.13Å; I181-I187 HydrophobicContact CG1-CG2 4.11Å; I181-I187 HydrophobicContact CG2-CB 4.16Å; I181-I195 HydrophobicContact CD1-CG1 4.28Å; I181-M198 HydrophobicContact CG1-CE 4.07Å; I181-M198 HydrophobicContact CG1-SD 4.48Å
182E88.1Confident91.9Very high94 Ų9455 Ų5544%0.43929%0.292SS..Hα-helixtrans-62.8-51.3178.7-175.7175.1-164.300111.5N178 D179 F180 S184 G185 T277N178-E182 WeakPolarHBondContact O-CB 3.43Å; N178-E182 PolarHBondContact O-N 3.34Å; D179-E182 PolarHBondContact O-N 3.01Å; F180-E182 VanDerWaalsContact C-N 3.35Å; E182-S184 VanDerWaalsContact C-N 3.3Å; E182-S184 PolarHBondContact O-N 3.42Å; E182-G185 PolarHBondContact O-N 3.17Å; E182-T277 VanDerWaalsContact OE2-CB 3.24Å; E182-T277 WeakPolarHBondContact OE2-CB 3.36Å; E182-T277 WeakPolarHBondContact OE2-CG2 3.5Å
183M88Confident92Very high169 Ų16961.9 Ų61.983%0.83332%0.323SS*.Hα-helixtrans-62.3-35.8-179.7-72.6-176.575.200113.2D179D179-M183 WeakPolarHBondContact O-CB 3.49Å; D179-M183 VanDerWaalsContact O-CG 3.22Å; D179-M183 WeakPolarHBondContact O-CG 3.38Å; D179-M183 PolarHBondContact O-N 2.88Å
184S88.4Confident92Very high38 Ų3866 Ų6627%0.26634%0.341SS..Hα-helixtrans-77.3-39179.366.40000112.1F180 I181 E182 E186F180-S184 VanDerWaalsContact O-CB 3.26Å; F180-S184 WeakPolarHBondContact O-CB 3.4Å; F180-S184 PolarHBondContact O-N 3.06Å; F180-S184 PolarHBondContact O-OG 2.96Å; I181-S184 PolarHBondContact O-OG 3.43Å; I181-S184 VanDerWaalsContact O-OG 3.08Å; E182-S184 VanDerWaalsContact C-N 3.3Å; E182-S184 PolarHBondContact O-N 3.42Å; S184-E186 WeakPolarHBondContact O-CG 3.5Å; S184-E186 PolarHBondContact O-N 3.22Å; S184-E186 VanDerWaalsContact O-N 3.08Å; S184-E186 PolarHBondContact OG-N 3.24Å
185G83.9Confident92.1Very high63 Ų6366 Ų6665%0.64934%0.341SS*.  trans60.79.8-170.100000114.1I181 E182I181-G185 PolarHBondContact O-N 2.99Å; E182-G185 PolarHBondContact O-N 3.17Å
186E86.9Confident92.3Very high149 Ų14967 Ų6770%0.69635%0.347SS*.  trans-95.7-20.8-173-68.3-169.4175.800113.3S184S184-E186 WeakPolarHBondContact O-CG 3.5Å; S184-E186 PolarHBondContact O-N 3.22Å; S184-E186 VanDerWaalsContact O-N 3.08Å; S184-E186 PolarHBondContact OG-N 3.24Å
187I92.1Very high92.5Very high23 Ų2371.7 Ų71.712%0.11837%0.365CS..  trans-94.7127.3-176.1-54.7-61.4000109.8I181 E191 K194 I195 M198I181-I187 HydrophobicContact CD1-CG2 4.25Å; I181-I187 HydrophobicContact CG1-CB 3.98Å; I181-I187 HydrophobicContact CG1-CG1 4.13Å; I181-I187 HydrophobicContact CG1-CG2 4.11Å; I181-I187 HydrophobicContact CG2-CB 4.16Å; I187-E191 WeakPolarHBondContact CA-OE2 3.12Å; I187-K194 HydrophobicContact CD1-CB 3.93Å; I187-K194 HydrophobicContact CD1-CD 3.51Å; I187-K194 HydrophobicContact CD1-CG 4.41Å; I187-I195 HydrophobicContact CG2-CD1 4.27Å; I187-I195 HydrophobicContact CG2-CG1 3.9Å; I187-M198 HydrophobicContact CG1-SD 4.31Å
188K91Very high92.6Very high143 Ų14373.2 Ų73.262%0.62237%0.372SS*.  trans-110.5159.3179.6-63.3-176.3-179.2-176.90111.9G190 E191K188-G190 PolarHBondContact O-N 3.23Å; K188-E191 HydrophobicContact CB-CG 4.33Å; K188-E191 PolarHBondContact N-OE2 2.68Å; K188-E191 VanDerWaalsContact N-OE2 3.11Å; K188-E191 WeakPolarHBondContact O-CB 3.33Å; K188-E191 WeakPolarHBondContact O-CG 3.42Å; K188-E191 PolarHBondContact O-N 2.85Å; K188-E191 VanDerWaalsContact O-N 3.13Å
189F93.7Very high92.8Very high33 Ų3372.4 Ų72.415%0.14537%0.368CS..THydrogen-bonded Turntrans-51.5136.9168.9-173.8-89.5000111.4E90 L91 A94 Y95 M140 Y143 E191E90-F189 HydrophobicContact CB-CD1 4.47Å; E90-F189 HydrophobicContact CB-CE1 4.26Å; L91-F189 VanDerWaalsContact CA-CE1 3.41Å; L91-F189 HydrophobicContact CB-CB 4.35Å; L91-F189 HydrophobicContact CB-CD1 3.54Å; L91-F189 HydrophobicContact CB-CE1 3.98Å; L91-F189 HydrophobicContact CB-CG 3.85Å; L91-F189 HydrophobicContact CD1-CB 3.88Å; L91-F189 HydrophobicContact CD1-CD1 4.43Å; L91-F189 HydrophobicContact CD1-CD2 4.13Å; L91-F189 HydrophobicContact CD1-CG 3.86Å; L91-F189 HydrophobicContact CG-CD1 4.24Å; L91-F189 HydrophobicContact CG-CD2 4.35Å; L91-F189 HydrophobicContact CG-CG 4.1Å; A94-F189 HydrophobicContact CB-CE1 4.4Å; A94-F189 HydrophobicContact CB-CZ 3.89Å; Y95-F189 HydrophobicContact CD2-CE2 4.21Å; Y95-F189 HydrophobicContact CD2-CZ 4.25Å; Y95-F189 AromaticContact CE2-CE2 3.53Å; Y95-F189 HydrophobicContact CE2-CE2 3.53Å; Y95-F189 AromaticContact CE2-CZ 3.76Å; Y95-F189 HydrophobicContact CE2-CZ 3.76Å; M140-F189 HydrophobicContact SD-CB 3.92Å; M140-F189 HydrophobicContact SD-CD2 4.17Å; Y143-F189 AromaticContact CD1-CD2 3.72Å; Y143-F189 HydrophobicContact CD1-CD2 3.72Å; Y143-F189 AromaticContact CD1-CE2 3.84Å; Y143-F189 HydrophobicContact CD1-CE2 3.84Å; Y143-F189 HydrophobicContact CD2-CD2 4.31Å; Y143-F189 AromaticContact CD2-CE2 3.57Å; Y143-F189 HydrophobicContact CD2-CE2 3.57Å; Y143-F189 HydrophobicContact CD2-CZ 4.12Å; Y143-F189 HydrophobicContact CE1-CD2 4.11Å; Y143-F189 HydrophobicContact CE1-CE2 4.23Å; Y143-F189 HydrophobicContact CE2-CE2 4Å; Y143-F189 HydrophobicContact CE2-CZ 4.22Å; Y143-F189 AromaticContact CG-CD2 3.82Å; Y143-F189 HydrophobicContact CG-CD2 3.82Å; Y143-F189 AromaticContact CG-CE2 3.47Å; Y143-F189 HydrophobicContact CG-CE2 3.47Å; Y143-F189 VanDerWaalsContact CG-CE2 3.47Å; Y143-F189 HydrophobicContact CG-CZ 4.43Å; F189-E191 VanDerWaalsContact C-N 3.34Å
190G93Very high93.2Very high43 Ų4373.7 Ų73.744%0.44338%0.375SS..THydrogen-bonded Turntrans88.1-9.7-178.500000114.7Y143 K188 K192Y143-G190 WeakPolarHBondContact OH-CA 3.29Å; K188-G190 PolarHBondContact O-N 3.23Å; G190-K192 PolarHBondContact O-N 3.49Å
191E94.3Very high93.4Very high59 Ų5970.3 Ų70.328%0.27637%0.369SS..  trans-79.946.8175.1-60.5-165.7132.500112.8I187 K188 F189 E193 K194 I195I187-E191 WeakPolarHBondContact CA-OE2 3.12Å; K188-E191 HydrophobicContact CB-CG 4.33Å; K188-E191 PolarHBondContact N-OE2 2.68Å; K188-E191 VanDerWaalsContact N-OE2 3.11Å; K188-E191 WeakPolarHBondContact O-CB 3.33Å; K188-E191 WeakPolarHBondContact O-CG 3.42Å; K188-E191 PolarHBondContact O-N 2.85Å; K188-E191 VanDerWaalsContact O-N 3.13Å; F189-E191 VanDerWaalsContact C-N 3.34Å; E191-E193 VanDerWaalsContact C-N 3.25Å; E191-E193 PolarHBondContact O-N 3.06Å; E191-E193 VanDerWaalsContact O-N 3.11Å; E191-K194 HydrophobicContact CB-CB 4.44Å; E191-K194 HydrophobicContact CB-CD 4.24Å; E191-K194 HydrophobicContact CB-CG 4.39Å; E191-K194 PolarHBondContact O-N 2.89Å; E191-K194 WeakPolarHBondContact OE1-CE 3.46Å; E191-K194 IonicContact OE1-NZ 3.3Å; E191-K194 PolarHBondContact OE1-NZ 3.34Å; E191-K194 WeakPolarHBondContact OE2-CD 3.48Å; E191-K194 WeakPolarHBondContact OE2-CE 3.19Å; E191-K194 IonicContact OE2-NZ 2.71Å; E191-K194 PolarHBondContact OE2-NZ 3.02Å; E191-I195 PolarHBondContact O-N 2.7Å
192K96.1Very high93.5Very high84 Ų8472 Ų7237%0.36538%0.377SS..Hα-helixtrans-48.2-43.9-175.1-175.2168.2179.8169.80113Y143 I147 E150 G190 K194 I195 V196Y143-K192 WeakPolarHBondContact OH-CB 3.37Å; Y143-K192 PolarHBondContact OH-N 2.92Å; I147-K192 HydrophobicContact CD1-CB 4.4Å; I147-K192 HydrophobicContact CD1-CG 3.92Å; I147-K192 HydrophobicContact CG1-CD 4.47Å; I147-K192 HydrophobicContact CG1-CG 4.25Å; E150-K192 IonicContact OE1-NZ 2.61Å; E150-K192 IonicContact OE2-NZ 2.72Å; E150-K192 PolarHBondContact OE2-NZ 3.21Å; G190-K192 PolarHBondContact O-N 3.49Å; K192-K194 VanDerWaalsContact C-N 3.28Å; K192-K194 PolarHBondContact O-N 3.2Å; K192-I195 PolarHBondContact O-N 2.88Å; K192-V196 HydrophobicContact CG-CG2 4.07Å; K192-V196 VanDerWaalsContact O-CG2 3.29Å; K192-V196 WeakPolarHBondContact O-CG2 3.33Å; K192-V196 PolarHBondContact O-N 3.42Å
193E96.9Very high93.9Very high155 Ų15567.6 Ų67.672%0.72436%0.356SS*.Hα-helixtrans-63.3-31.3-178.5-66.7-178.1-174.200113.7E191 K197E191-E193 VanDerWaalsContact C-N 3.25Å; E191-E193 PolarHBondContact O-N 3.06Å; E191-E193 VanDerWaalsContact O-N 3.11Å; E193-K197 WeakPolarHBondContact O-CG 3.47Å; E193-K197 PolarHBondContact O-N 2.69Å
194K96.4Very high94.2Very high89 Ų8962.5 Ų62.539%0.38733%0.332SS..Hα-helixtrans-73.1-44.3175.5-64.9-172.5-169166.60110.3I187 E191 K192 K197 M198I187-K194 HydrophobicContact CD1-CB 3.93Å; I187-K194 HydrophobicContact CD1-CD 3.51Å; I187-K194 HydrophobicContact CD1-CG 4.41Å; E191-K194 HydrophobicContact CB-CB 4.44Å; E191-K194 HydrophobicContact CB-CD 4.24Å; E191-K194 HydrophobicContact CB-CG 4.39Å; E191-K194 PolarHBondContact O-N 2.89Å; E191-K194 WeakPolarHBondContact OE1-CE 3.46Å; E191-K194 IonicContact OE1-NZ 3.3Å; E191-K194 PolarHBondContact OE1-NZ 3.34Å; E191-K194 WeakPolarHBondContact OE2-CD 3.48Å; E191-K194 WeakPolarHBondContact OE2-CE 3.19Å; E191-K194 IonicContact OE2-NZ 2.71Å; E191-K194 PolarHBondContact OE2-NZ 3.02Å; K192-K194 VanDerWaalsContact C-N 3.28Å; K192-K194 PolarHBondContact O-N 3.2Å; K194-K197 WeakPolarHBondContact O-CB 3.48Å; K194-K197 PolarHBondContact O-N 2.89Å; K194-M198 WeakPolarHBondContact O-CG 3.34Å; K194-M198 PolarHBondContact O-N 2.85Å; K194-M198 VanDerWaalsContact O-N 3.17Å
195I97.6Very high94.3Very high0 Ų062.6 Ų62.60%033%0.33CS..Hα-helixtrans-61.4-47.1177.9-60.2170.7000110Y143 V144 I147 T177 I181 I187 E191 K192 K197 M198 V199Y143-I195 HydrophobicContact CD1-CD1 3.89Å; Y143-I195 HydrophobicContact CE1-CD1 3.43Å; Y143-I195 VanDerWaalsContact CE1-CD1 3.43Å; V144-I195 HydrophobicContact CG2-CD1 4.21Å; V144-I195 HydrophobicContact CG2-CG2 4.32Å; I147-I195 HydrophobicContact CB-CG2 4.31Å; I147-I195 HydrophobicContact CD1-CB 4.07Å; I147-I195 HydrophobicContact CD1-CD1 3.86Å; I147-I195 HydrophobicContact CD1-CG2 3.86Å; I147-I195 HydrophobicContact CG2-CG2 3.96Å; T177-I195 HydrophobicContact CG2-CG2 4.2Å; I181-I195 HydrophobicContact CD1-CG1 4.28Å; I187-I195 HydrophobicContact CG2-CD1 4.27Å; I187-I195 HydrophobicContact CG2-CG1 3.9Å; E191-I195 PolarHBondContact O-N 2.7Å; K192-I195 PolarHBondContact O-N 2.88Å; I195-K197 VanDerWaalsContact C-N 3.27Å; I195-K197 PolarHBondContact O-N 3.16Å; I195-M198 WeakPolarHBondContact O-CA 3.45Å; I195-M198 WeakPolarHBondContact O-CB 3.27Å; I195-M198 PolarHBondContact O-N 3.29Å; I195-V199 HydrophobicContact CG2-CG2 4.12Å; I195-V199 WeakPolarHBondContact O-CG2 3.48Å; I195-V199 PolarHBondContact O-N 3.46Å
196V98.2Very high94.6Very high30 Ų3060.3 Ų60.318%0.18230%0.303CS..Hα-helixtrans-54.9-42.2176.6168.60000111.8I147 Q151 K192 M198 V199 D200I147-V196 HydrophobicContact CG2-CG2 3.75Å; Q151-V196 HydrophobicContact CG-CG2 4.49Å; K192-V196 HydrophobicContact CG-CG2 4.07Å; K192-V196 VanDerWaalsContact O-CG2 3.29Å; K192-V196 WeakPolarHBondContact O-CG2 3.33Å; K192-V196 PolarHBondContact O-N 3.42Å; V196-M198 VanDerWaalsContact C-N 3.33Å; V196-M198 PolarHBondContact O-N 3.06Å; V196-V199 PolarHBondContact O-N 3.25Å; V196-D200 WeakPolarHBondContact O-CB 3.27Å; V196-D200 PolarHBondContact O-N 3.41Å
197K96.9Very high94.6Very high146 Ų14658.2 Ų58.264%0.63529%0.293SS*.Hα-helixtrans-64.9-35.2176.8-73.2172.3-176.7171.60113.3E193 K194 I195 A201E193-K197 WeakPolarHBondContact O-CG 3.47Å; E193-K197 PolarHBondContact O-N 2.69Å; K194-K197 WeakPolarHBondContact O-CB 3.48Å; K194-K197 PolarHBondContact O-N 2.89Å; I195-K197 VanDerWaalsContact C-N 3.27Å; I195-K197 PolarHBondContact O-N 3.16Å; K197-A201 PolarHBondContact O-N 2.85Å
198M96.7Very high94.4Very high33 Ų3366.1 Ų66.116%0.16332%0.321CS..Hα-helixtrans-69.1-46.2175.5-64.917057.200110.5T177 F180 I181 I187 K194 I195 V196 D200 A201 E202T177-M198 HydrophobicContact CG2-CE 4.03Å; F180-M198 HydrophobicContact CB-CE 3.72Å; F180-M198 HydrophobicContact CD1-CE 3.13Å; F180-M198 HydrophobicContact CD1-SD 4.03Å; F180-M198 HydrophobicContact CE1-CE 3.91Å; F180-M198 HydrophobicContact CE1-SD 4.28Å; F180-M198 HydrophobicContact CG-CE 3.63Å; I181-M198 HydrophobicContact CG1-CE 4.07Å; I181-M198 HydrophobicContact CG1-SD 4.48Å; I187-M198 HydrophobicContact CG1-SD 4.31Å; K194-M198 WeakPolarHBondContact O-CG 3.34Å; K194-M198 PolarHBondContact O-N 2.85Å; K194-M198 VanDerWaalsContact O-N 3.17Å; I195-M198 WeakPolarHBondContact O-CA 3.45Å; I195-M198 WeakPolarHBondContact O-CB 3.27Å; I195-M198 PolarHBondContact O-N 3.29Å; V196-M198 VanDerWaalsContact C-N 3.33Å; V196-M198 PolarHBondContact O-N 3.06Å; M198-D200 VanDerWaalsContact C-N 3.34Å; M198-D200 PolarHBondContact O-N 3.36Å; M198-A201 WeakPolarHBondContact O-CA 3.35Å; M198-A201 WeakPolarHBondContact O-CB 3.2Å; M198-A201 PolarHBondContact O-N 3.27Å; M198-E202 PolarHBondContact O-N 3.33Å
199V97.7Very high94.2Very high0 Ų065.3 Ų65.30%032%0.318CS..Hα-helixtrans-59.2-44.2176.6173.30000111.1V148 Q151 I173 T177 I195 V196 A201 E202 I203V148-V199 HydrophobicContact CG2-CG1 4.28Å; V148-V199 HydrophobicContact CG2-CG2 3.62Å; Q151-V199 HydrophobicContact CB-CG1 3.57Å; Q151-V199 HydrophobicContact CG-CB 4.42Å; Q151-V199 HydrophobicContact CG-CG1 3.77Å; I173-V199 HydrophobicContact CG2-CB 4.47Å; I173-V199 HydrophobicContact CG2-CG1 4.03Å; I173-V199 HydrophobicContact CG2-CG2 4.36Å; T177-V199 HydrophobicContact CG2-CG2 4.3Å; I195-V199 HydrophobicContact CG2-CG2 4.12Å; I195-V199 WeakPolarHBondContact O-CG2 3.48Å; I195-V199 PolarHBondContact O-N 3.46Å; V196-V199 PolarHBondContact O-N 3.25Å; V199-A201 VanDerWaalsContact C-N 3.28Å; V199-A201 PolarHBondContact O-N 2.99Å; V199-E202 PolarHBondContact O-N 3.43Å; V199-I203 HydrophobicContact CG1-CD1 4.01Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 VanDerWaalsContact O-CG1 3.3Å; V199-I203 WeakPolarHBondContact O-CG1 3.5Å; V199-I203 PolarHBondContact O-N 2.93Å
200D97.2Very high93.6Very high62 Ų6266.8 Ų66.833%0.33234%0.342SS..Hα-helixtrans-58.7-39.4174.4-82.2-30000112.3V196 M198 I203 D204V196-D200 WeakPolarHBondContact O-CB 3.27Å; V196-D200 PolarHBondContact O-N 3.41Å; M198-D200 VanDerWaalsContact C-N 3.34Å; M198-D200 PolarHBondContact O-N 3.36Å; D200-I203 PolarHBondContact O-N 3.36Å; D200-D204 PolarHBondContact O-N 3.28Å
201A96Very high93.1Very high49 Ų4968.2 Ų68.241%0.40534%0.343SS..Hα-helixtrans-68.8-36.1177.500000112.3K197 M198 V199 D204 N205K197-A201 PolarHBondContact O-N 2.85Å; M198-A201 WeakPolarHBondContact O-CA 3.35Å; M198-A201 WeakPolarHBondContact O-CB 3.2Å; M198-A201 PolarHBondContact O-N 3.27Å; V199-A201 VanDerWaalsContact C-N 3.28Å; V199-A201 PolarHBondContact O-N 2.99Å; A201-D204 WeakPolarHBondContact O-CB 3.42Å; A201-D204 PolarHBondContact O-N 3.04Å; A201-N205 WeakPolarHBondContact O-CB 3.37Å; A201-N205 PolarHBondContact O-N 3.14Å
202E95.2Very high92.7Very high51 Ų5167 Ų6724%0.23834%0.338CS..Hα-helixtrans-72.6-35.8174.1-69.7-47.9140.100112.6I173 D176 M198 V199 D204 N205 L206I173-E202 HydrophobicContact CB-CB 4.49Å; I173-E202 HydrophobicContact CG1-CB 4.09Å; I173-E202 HydrophobicContact CG2-CB 3.94Å; D176-E202 HydrophobicContact CB-CG 4.43Å; M198-E202 PolarHBondContact O-N 3.33Å; V199-E202 PolarHBondContact O-N 3.43Å; E202-D204 VanDerWaalsContact C-N 3.29Å; E202-D204 PolarHBondContact O-N 3.44Å; E202-N205 WeakPolarHBondContact O-CB 3.34Å; E202-N205 PolarHBondContact O-N 3.13Å; E202-N205 VanDerWaalsContact O-N 3.09Å; E202-N205 PolarHBondContact OE2-ND2 2.84Å; E202-L206 WeakPolarHBondContact O-CB 3.44Å; E202-L206 PolarHBondContact O-N 3.17Å
203I95.6Very high92.4Very high1 Ų169.5 Ų69.51%0.00535%0.35CS..Hα-helixtrans-58.9-44.1169.6-69.8171.6000110.2Q151 K157 L158 I173 V199 D200 N205 L206 E207Q151-I203 HydrophobicContact CB-CD1 4.11Å; K157-I203 HydrophobicContact CB-CG2 4.08Å; K157-I203 HydrophobicContact CD-CG2 3.9Å; L158-I203 HydrophobicContact CD1-CD1 4.49Å; L158-I203 HydrophobicContact CD1-CG1 4.17Å; L158-I203 HydrophobicContact CD1-CG2 4.22Å; L158-I203 HydrophobicContact CD2-CG2 4.21Å; L158-I203 HydrophobicContact CG-CG2 4.02Å; I173-I203 HydrophobicContact CD1-CG1 3.79Å; V199-I203 HydrophobicContact CG1-CD1 4.01Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 VanDerWaalsContact O-CG1 3.3Å; V199-I203 WeakPolarHBondContact O-CG1 3.5Å; V199-I203 PolarHBondContact O-N 2.93Å; D200-I203 PolarHBondContact O-N 3.36Å; I203-N205 VanDerWaalsContact C-N 3.28Å; I203-N205 PolarHBondContact O-N 3.33Å; I203-L206 PolarHBondContact O-N 3.26Å; I203-E207 WeakPolarHBondContact O-CB 3.46Å; I203-E207 PolarHBondContact O-N 2.96Å
204D94.2Very high92.2Very high61 Ų6162.3 Ų62.333%0.32632%0.317SS..Hα-helixtrans-64.6-30.8174.8-82.4-31.5000113.2K157 D200 A201 E202 R208K157-D204 WeakPolarHBondContact CD-OD1 3.5Å; K157-D204 VanDerWaalsContact CE-OD1 3.22Å; K157-D204 WeakPolarHBondContact CE-OD1 3.49Å; K157-D204 IonicContact NZ-OD1 3.17Å; K157-D204 PolarHBondContact NZ-OD1 3.03Å; K157-D204 IonicContact NZ-OD2 3.12Å; K157-D204 PolarHBondContact NZ-OD2 3.03Å; D200-D204 PolarHBondContact O-N 3.28Å; A201-D204 WeakPolarHBondContact O-CB 3.42Å; A201-D204 PolarHBondContact O-N 3.04Å; E202-D204 VanDerWaalsContact C-N 3.29Å; E202-D204 PolarHBondContact O-N 3.44Å; D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 VanDerWaalsContact O-CG 3.25Å; D204-R208 WeakPolarHBondContact O-CG 3.25Å; D204-R208 PolarHBondContact O-N 3.48Å; D204-R208 PolarHBondContact O-NE 2.91Å
205N91.6Very high91.9Very high40 Ų4060.6 Ų60.621%0.21432%0.316CS..Hα-helixtrans-71.3-46.1175.7-166.116.8000111.1A201 E202 I203 R208 K209A201-N205 WeakPolarHBondContact O-CB 3.37Å; A201-N205 PolarHBondContact O-N 3.14Å; E202-N205 WeakPolarHBondContact O-CB 3.34Å; E202-N205 PolarHBondContact O-N 3.13Å; E202-N205 VanDerWaalsContact O-N 3.09Å; E202-N205 PolarHBondContact OE2-ND2 2.84Å; I203-N205 VanDerWaalsContact C-N 3.28Å; I203-N205 PolarHBondContact O-N 3.33Å; N205-R208 PolarHBondContact O-N 3.41Å; N205-K209 WeakPolarHBondContact O-CG 3.34Å; N205-K209 PolarHBondContact O-N 3.04Å
206L90Very high91.7Very high16 Ų1665.3 Ų65.38%0.08434%0.338CS..Hα-helixtrans-63.5-45.6178.9-166.673.4000111.7L158 A169 I173 E202 I203 R208 K209 G210 I212L158-L206 HydrophobicContact CD2-CD2 4.36Å; A169-L206 HydrophobicContact CB-CD2 3.44Å; A169-L206 VanDerWaalsContact CB-CD2 3.44Å; I173-L206 HydrophobicContact CD1-CD2 4.43Å; E202-L206 WeakPolarHBondContact O-CB 3.44Å; E202-L206 PolarHBondContact O-N 3.17Å; I203-L206 PolarHBondContact O-N 3.26Å; L206-R208 VanDerWaalsContact C-N 3.26Å; L206-R208 PolarHBondContact O-N 3.37Å; L206-K209 PolarHBondContact O-N 3.48Å; L206-G210 PolarHBondContact O-N 2.91Å; L206-I212 HydrophobicContact CD1-CG1 4.15Å; L206-I212 HydrophobicContact CD2-CG1 4.3Å; L206-I212 HydrophobicContact CG-CG1 4.46Å
207E87Confident91.3Very high105 Ų10570.8 Ų70.849%0.49136%0.362SS..Hα-helixtrans-58-39.7175.9-174-177.2-174.100111.5K157 I203K157-E207 WeakPolarHBondContact CB-OE2 3.36Å; K157-E207 WeakPolarHBondContact CD-OE2 3.24Å; K157-E207 WeakPolarHBondContact CG-OE2 3.3Å; I203-E207 WeakPolarHBondContact O-CB 3.46Å; I203-E207 PolarHBondContact O-N 2.96Å
208R87.4Confident90.9Very high188 Ų18866.2 Ų66.271%0.70934%0.341SS*.Hα-helixtrans-70.9-37.2178.1-76.8-178-64.4135.6-2.2113.5D204 N205 L206 G210D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 VanDerWaalsContact O-CG 3.25Å; D204-R208 WeakPolarHBondContact O-CG 3.25Å; D204-R208 PolarHBondContact O-N 3.48Å; D204-R208 PolarHBondContact O-NE 2.91Å; N205-R208 PolarHBondContact O-N 3.41Å; L206-R208 VanDerWaalsContact C-N 3.26Å; L206-R208 PolarHBondContact O-N 3.37Å; R208-G210 VanDerWaalsContact C-N 3.34Å
209K86Confident90.8Very high127 Ų12769.1 Ų69.155%0.55236%0.356SS*.Hα-helixtrans-66.6-39.3176-73.6176.8-178.1174.60110.7N205 L206 T211N205-K209 WeakPolarHBondContact O-CG 3.34Å; N205-K209 PolarHBondContact O-N 3.04Å; L206-K209 PolarHBondContact O-N 3.48Å; K209-T211 PolarHBondContact O-N 2.79Å
210G81Confident90.6Very high64 Ų6469.5 Ų69.566%0.6636%0.358SS*.  trans726.8179.600000114.2L206 R208L206-G210 PolarHBondContact O-N 2.91Å; R208-G210 VanDerWaalsContact C-N 3.34Å
211T83.4Confident90.4Very high73 Ų7366.6 Ų66.645%0.44834%0.343SS..  trans-135.4145175.4580000110K209K209-T211 PolarHBondContact O-N 2.79Å
212I86.5Confident90.4Very high34 Ų3468 Ų6817%0.17434%0.34CS..  trans-105.398.3175.1-64.3163000106.1L161 E165 E168 I172 L206L161-I212 HydrophobicContact CD1-CD1 4Å; L161-I212 HydrophobicContact CD2-CD1 4.26Å; E165-I212 HydrophobicContact CB-CD1 3.56Å; E165-I212 HydrophobicContact CG-CD1 3.92Å; E165-I212 WeakPolarHBondContact O-CD1 3.33Å; E168-I212 HydrophobicContact CB-CG2 3.57Å; I172-I212 HydrophobicContact CD1-CG2 3.75Å; L206-I212 HydrophobicContact CD1-CG1 4.15Å; L206-I212 HydrophobicContact CD2-CG1 4.3Å; L206-I212 HydrophobicContact CG-CG1 4.46Å
213E89.3Confident90.5Very high135 Ų13567.6 Ų67.663%0.63134%0.339SS*.  trans-132.4133179.5-69.9179.6-175.200108.9
214F92.8Very high90.6Very high5 Ų567.5 Ų67.52%0.02234%0.339CS..  trans-76.7151.5176.8-66.5-100000110.2E168 V171 I172 E216 I224 N225 M270 Y273E168-F214 HydrophobicContact CB-CE2 4.29Å; E168-F214 HydrophobicContact CB-CZ 4.2Å; E168-F214 HydrophobicContact CG-CE2 4.32Å; E168-F214 HydrophobicContact CG-CZ 4.35Å; V171-F214 HydrophobicContact CB-CE1 4.23Å; V171-F214 HydrophobicContact CB-CZ 4.48Å; V171-F214 HydrophobicContact CG1-CE1 3.64Å; V171-F214 HydrophobicContact CG1-CZ 4.29Å; I172-F214 HydrophobicContact CD1-CD1 4.41Å; I172-F214 HydrophobicContact CD1-CD2 4.32Å; I172-F214 HydrophobicContact CD1-CE1 4.38Å; I172-F214 HydrophobicContact CD1-CE2 4.29Å; I172-F214 HydrophobicContact CD1-CG 4.38Å; I172-F214 HydrophobicContact CD1-CZ 4.32Å; I172-F214 HydrophobicContact CG1-CD1 3.86Å; I172-F214 HydrophobicContact CG1-CE1 3.71Å; I172-F214 HydrophobicContact CG1-CE2 4.46Å; I172-F214 HydrophobicContact CG1-CG 4.31Å; I172-F214 HydrophobicContact CG1-CZ 4.03Å; F214-E216 PolarHBondContact O-N 3.15Å; F214-I224 HydrophobicContact CD1-CD1 3.92Å; F214-I224 HydrophobicContact CD1-CG2 4.27Å; F214-I224 HydrophobicContact CD2-CB 4.15Å; F214-I224 HydrophobicContact CD2-CG2 3.39Å; F214-I224 HydrophobicContact CE1-CD1 4.18Å; F214-I224 HydrophobicContact CE1-CG2 4.28Å; F214-I224 HydrophobicContact CE2-CG2 3.41Å; F214-I224 VanDerWaalsContact CE2-CG2 3.41Å; F214-I224 HydrophobicContact CG-CB 4.2Å; F214-I224 HydrophobicContact CG-CD1 4.27Å; F214-I224 HydrophobicContact CG-CG2 3.85Å; F214-I224 HydrophobicContact CZ-CG2 3.88Å; F214-N225 WeakPolarHBondContact CB-OD1 3.48Å; F214-N225 WeakPolarHBondContact CD2-OD1 3.46Å; F214-N225 PolarHBondContact N-OD1 3.33Å; F214-N225 PolarHBondContact O-ND2 3.44Å; F214-M270 HydrophobicContact CE1-CG 4.37Å; F214-M270 HydrophobicContact CZ-CG 3.96Å; F214-Y273 HydrophobicContact CB-CE2 4.46Å; F214-Y273 AromaticContact CD1-CD1 3.94Å; F214-Y273 HydrophobicContact CD1-CD1 3.94Å; F214-Y273 HydrophobicContact CD1-CD2 4.29Å; F214-Y273 AromaticContact CD1-CE1 3.94Å; F214-Y273 HydrophobicContact CD1-CE1 3.94Å; F214-Y273 HydrophobicContact CD1-CE2 4.27Å; F214-Y273 HydrophobicContact CD1-CG 4.13Å; F214-Y273 HydrophobicContact CE1-CD1 4.23Å
215S90.5Very high90.6Very high53 Ų5366 Ų6637%0.37133%0.331SS..  trans-59.7124.8177.2-178.90000111E217 G221 Y273S215-E217 PolarHBondContact O-N 3.08Å; S215-E217 WeakPolarHBondContact OG-CB 3.35Å; S215-E217 PolarHBondContact OG-N 3.48Å; S215-G221 VanDerWaalsContact O-CA 3.27Å; S215-G221 WeakPolarHBondContact O-CA 3.45Å; S215-Y273 WeakPolarHBondContact CB-OH 3.38Å
216E92Very high90.9Very high99 Ų9965.1 Ų65.146%0.46333%0.327SS..THydrogen-bonded Turntrans-87.310.7175-57.8-163154.900113.2F214 Y218 K222 N225F214-E216 PolarHBondContact O-N 3.15Å; E216-Y218 VanDerWaalsContact C-N 3.25Å; E216-Y218 PolarHBondContact O-N 2.68Å; E216-K222 HydrophobicContact CB-CB 4.48Å; E216-K222 HydrophobicContact CB-CD 4.18Å; E216-K222 HydrophobicContact CG-CD 3.85Å; E216-K222 WeakPolarHBondContact OE1-CD 3.33Å; E216-K222 IonicContact OE1-NZ 2.78Å; E216-K222 PolarHBondContact OE1-NZ 2.85Å; E216-K222 WeakPolarHBondContact OE2-CD 3.44Å; E216-K222 IonicContact OE2-NZ 3.07Å; E216-K222 PolarHBondContact OE2-NZ 3.48Å; E216-N225 WeakPolarHBondContact CG-ND2 3.48Å; E216-N225 PolarHBondContact OE1-ND2 3.47Å
217E89.8Confident91.3Very high145 Ų14564.6 Ų64.668%0.67832%0.324SS*.THydrogen-bonded Turntrans-57.9-41176.6-178.1172.3-170.600111.7S215S215-E217 PolarHBondContact O-N 3.08Å; S215-E217 WeakPolarHBondContact OG-CB 3.35Å; S215-E217 PolarHBondContact OG-N 3.48Å
218Y90Very high91.6Very high49 Ų4962.9 Ų62.919%0.19232%0.318CS..SBendtrans-117.3159.6177-59.6-70.8000111.9E216 I220 G221 K222 I281 Y282 F285E216-Y218 VanDerWaalsContact C-N 3.25Å; E216-Y218 PolarHBondContact O-N 2.68Å; Y218-I220 PolarHBondContact O-N 3.43Å; Y218-I220 VanDerWaalsContact O-N 3.14Å; Y218-G221 PolarHBondContact O-N 2.86Å; Y218-K222 PolarHBondContact O-N 2.96Å; Y218-I281 HydrophobicContact CD1-CG2 3.9Å; Y218-I281 HydrophobicContact CD2-CB 4.4Å; Y218-I281 HydrophobicContact CD2-CG2 3.62Å; Y218-I281 HydrophobicContact CE2-CG2 4.29Å; Y218-I281 HydrophobicContact CG-CG2 3.4Å; Y218-Y282 HydrophobicContact CE1-CD2 4.25Å; Y218-Y282 WeakPolarHBondContact OH-CD2 3.29Å; Y218-F285 AromaticContact CD1-CD2 3.57Å; Y218-F285 HydrophobicContact CD1-CD2 3.57Å; Y218-F285 HydrophobicContact CD1-CE2 4.05Å; Y218-F285 HydrophobicContact CD1-CG 4.36Å; Y218-F285 HydrophobicContact CE1-CD2 4.27Å; Y218-F285 HydrophobicContact CG-CD2 4.36Å; Y218-F285 HydrophobicContact CG-CE2 4.41Å
219L92.6Very high92Very high94 Ų9457.7 Ų57.749%0.49231%0.305SS..Hα-helixtrans-57.5-32.9-175.5-178.261.9000112.9K222 L223 F285L219-K222 PolarHBondContact O-N 3.36Å; L219-L223 HydrophobicContact CD1-CD1 4.2Å; L219-L223 HydrophobicContact CD1-CD2 4.25Å; L219-L223 HydrophobicContact CD1-CG 3.87Å; L219-L223 HydrophobicContact CD2-CD1 4.25Å; L219-L223 HydrophobicContact CG-CD1 3.79Å; L219-L223 HydrophobicContact CG-CG 3.95Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.3Å; L219-L223 PolarHBondContact O-N 3.42Å; L219-F285 HydrophobicContact CB-CE1 3.82Å; L219-F285 HydrophobicContact CB-CZ 3.62Å; L219-F285 HydrophobicContact CD2-CE1 4.41Å
220I93.9Very high92.5Very high8 Ų856.7 Ų56.74%0.04131%0.305CS..Hα-helixtrans-59.4-56.1-176.9-52.4173.4000110.8Y218 K222 L223 I224 L269 Y273 I281 W284Y218-I220 PolarHBondContact O-N 3.43Å; Y218-I220 VanDerWaalsContact O-N 3.14Å; I220-K222 VanDerWaalsContact C-N 3.31Å; I220-K222 PolarHBondContact O-N 3.47Å; I220-L223 PolarHBondContact O-N 3.09Å; I220-I224 HydrophobicContact CG2-CD1 4.07Å; I220-I224 WeakPolarHBondContact O-CG1 3.39Å; I220-I224 PolarHBondContact O-N 2.87Å; I220-L269 HydrophobicContact CG2-CD2 4.43Å; I220-Y273 HydrophobicContact CB-CD2 4.39Å; I220-Y273 HydrophobicContact CG2-CD2 4.01Å; I220-I281 HydrophobicContact CD1-CD1 3.89Å; I220-I281 HydrophobicContact CD1-CG1 3.81Å; I220-I281 HydrophobicContact CD1-CG2 4Å; I220-W284 HydrophobicContact CD1-CE3 3.96Å; I220-W284 HydrophobicContact CD1-CH2 3.8Å; I220-W284 HydrophobicContact CD1-CZ3 3.2Å; I220-W284 HydrophobicContact CG1-CE3 4.46Å; I220-W284 HydrophobicContact CG1-CZ3 3.91Å
221G94.1Very high93.3Very high1 Ų161 Ų611%0.0131%0.308CS..Hα-helixtrans-65.2-35.818000000112.2S215 Y218 L223 I224 N225S215-G221 VanDerWaalsContact O-CA 3.27Å; S215-G221 WeakPolarHBondContact O-CA 3.45Å; Y218-G221 PolarHBondContact O-N 2.86Å; G221-L223 PolarHBondContact O-N 3.19Å; G221-I224 PolarHBondContact O-N 3.35Å; G221-N225 PolarHBondContact O-N 3.38Å; G221-N225 PolarHBondContact O-ND2 3.37Å
222K95.6Very high93.9Very high79 Ų7958.9 Ų58.934%0.34330%0.298SS..Hα-helixtrans-59.5-44.6172.2-175.362.8179-178.90112.5E216 Y218 L219 I220 N225 V226E216-K222 HydrophobicContact CB-CB 4.48Å; E216-K222 HydrophobicContact CB-CD 4.18Å; E216-K222 HydrophobicContact CG-CD 3.85Å; E216-K222 WeakPolarHBondContact OE1-CD 3.33Å; E216-K222 IonicContact OE1-NZ 2.78Å; E216-K222 PolarHBondContact OE1-NZ 2.85Å; E216-K222 WeakPolarHBondContact OE2-CD 3.44Å; E216-K222 IonicContact OE2-NZ 3.07Å; E216-K222 PolarHBondContact OE2-NZ 3.48Å; Y218-K222 PolarHBondContact O-N 2.96Å; L219-K222 PolarHBondContact O-N 3.36Å; I220-K222 VanDerWaalsContact C-N 3.31Å; I220-K222 PolarHBondContact O-N 3.47Å; K222-N225 PolarHBondContact O-N 3Å; K222-V226 HydrophobicContact CD-CG2 4.39Å; K222-V226 HydrophobicContact CG-CG2 4.45Å; K222-V226 WeakPolarHBondContact O-CB 3.34Å; K222-V226 VanDerWaalsContact O-CG2 3.25Å; K222-V226 WeakPolarHBondContact O-CG2 3.13Å; K222-V226 PolarHBondContact O-N 2.85Å
223L97.3Very high94.5Very high42 Ų4257.3 Ų57.322%0.2229%0.29CS..Hα-helixtrans-65.5-41178-73.4175.5000111.3L219 I220 G221 N225 V226 L227 M236 L269L219-L223 HydrophobicContact CD1-CD1 4.2Å; L219-L223 HydrophobicContact CD1-CD2 4.25Å; L219-L223 HydrophobicContact CD1-CG 3.87Å; L219-L223 HydrophobicContact CD2-CD1 4.25Å; L219-L223 HydrophobicContact CG-CD1 3.79Å; L219-L223 HydrophobicContact CG-CG 3.95Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.3Å; L219-L223 PolarHBondContact O-N 3.42Å; I220-L223 PolarHBondContact O-N 3.09Å; G221-L223 PolarHBondContact O-N 3.19Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-N225 PolarHBondContact O-N 2.9Å; L223-V226 PolarHBondContact O-N 3.34Å; L223-L227 VanDerWaalsContact O-CB 3.28Å; L223-L227 WeakPolarHBondContact O-CB 3.17Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.49Å; L223-M236 HydrophobicContact CD2-CE 4.5Å; L223-M236 HydrophobicContact CD2-SD 3.5Å; L223-M236 WeakPolarHBondContact CD2-SD 3.32Å; L223-L269 HydrophobicContact CB-CD1 3.89Å; L223-L269 HydrophobicContact CD1-CD1 4.49Å
224I96.8Very high94.9Very high0 Ų052.8 Ų52.80%027%0.269CS..Hα-helixtrans-59.5-45.7177.1-64.3163.7000110.8F214 I220 G221 D228 R266 L269 M270 Y273F214-I224 HydrophobicContact CD1-CD1 3.92Å; F214-I224 HydrophobicContact CD1-CG2 4.27Å; F214-I224 HydrophobicContact CD2-CB 4.15Å; F214-I224 HydrophobicContact CD2-CG2 3.39Å; F214-I224 HydrophobicContact CE1-CD1 4.18Å; F214-I224 HydrophobicContact CE1-CG2 4.28Å; F214-I224 HydrophobicContact CE2-CG2 3.41Å; F214-I224 VanDerWaalsContact CE2-CG2 3.41Å; F214-I224 HydrophobicContact CG-CB 4.2Å; F214-I224 HydrophobicContact CG-CD1 4.27Å; F214-I224 HydrophobicContact CG-CG2 3.85Å; F214-I224 HydrophobicContact CZ-CG2 3.88Å; I220-I224 HydrophobicContact CG2-CD1 4.07Å; I220-I224 WeakPolarHBondContact O-CG1 3.39Å; I220-I224 PolarHBondContact O-N 2.87Å; G221-I224 PolarHBondContact O-N 3.35Å; I224-D228 PolarHBondContact O-N 2.98Å; I224-R266 HydrophobicContact CG2-CG 4.21Å; I224-R266 PolarHBondContact O-NE 3.12Å; I224-L269 HydrophobicContact CD1-CB 4.18Å; I224-L269 HydrophobicContact CG1-CB 3.61Å; I224-M270 HydrophobicContact CD1-CG 4.21Å; I224-M270 HydrophobicContact CG1-CG 4.33Å; I224-M270 HydrophobicContact CG2-CG 3.76Å; I224-Y273 HydrophobicContact CD1-CD2 4.03Å; I224-Y273 HydrophobicContact CD1-CG 4.07Å
225N96Very high95.1Very high30 Ų3059.4 Ų59.416%0.1630%0.298CS..Hα-helixtrans-64.3-44.7177.5-66.6-18.5000111.7F214 E216 G221 K222 L223 D228F214-N225 WeakPolarHBondContact CB-OD1 3.48Å; F214-N225 WeakPolarHBondContact CD2-OD1 3.46Å; F214-N225 PolarHBondContact N-OD1 3.33Å; F214-N225 PolarHBondContact O-ND2 3.44Å; E216-N225 WeakPolarHBondContact CG-ND2 3.48Å; E216-N225 PolarHBondContact OE1-ND2 3.47Å; G221-N225 PolarHBondContact O-N 3.38Å; G221-N225 PolarHBondContact O-ND2 3.37Å; K222-N225 PolarHBondContact O-N 3Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-N225 PolarHBondContact O-N 2.9Å; N225-D228 PolarHBondContact O-N 3.28Å
226V97.2Very high95.5Very high21 Ų2158.5 Ų58.513%0.12729%0.288CS..Hα-helixtrans-64.3-41.9179.81660000111.9K222 L223 D228 D229 A232 T233 M236K222-V226 HydrophobicContact CD-CG2 4.39Å; K222-V226 HydrophobicContact CG-CG2 4.45Å; K222-V226 WeakPolarHBondContact O-CB 3.34Å; K222-V226 VanDerWaalsContact O-CG2 3.25Å; K222-V226 WeakPolarHBondContact O-CG2 3.13Å; K222-V226 PolarHBondContact O-N 2.85Å; L223-V226 PolarHBondContact O-N 3.34Å; V226-D228 PolarHBondContact O-N 2.97Å; V226-D229 PolarHBondContact O-N 2.68Å; V226-D229 VanDerWaalsContact O-O 3.09Å; V226-A232 HydrophobicContact CG1-CB 4.18Å; V226-T233 PolarHBondContact O-OG1 3.47Å; V226-M236 HydrophobicContact CG1-CB 3.88Å; V226-M236 HydrophobicContact CG1-CE 4.28Å; V226-M236 HydrophobicContact CG1-CG 4.44Å; V226-M236 HydrophobicContact CG1-SD 3.88Å
227L97.2Very high95.7Very high4 Ų454 Ų542%0.02127%0.268CS..THydrogen-bonded Turntrans-74.6-4.5-178.6-66.5176.9000113.3L223 T233 M236 F262 Q263 M265 R266 L269L223-L227 VanDerWaalsContact O-CB 3.28Å; L223-L227 WeakPolarHBondContact O-CB 3.17Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.49Å; L227-T233 WeakPolarHBondContact CA-OG1 3.4Å; L227-T233 HydrophobicContact CD2-CG2 3.96Å; L227-M236 HydrophobicContact CD2-CE 3.79Å; L227-F262 HydrophobicContact CD2-CB 3.98Å; L227-Q263 WeakPolarHBondContact O-CG 3.38Å; L227-M265 HydrophobicContact CD1-CB 4.23Å; L227-M265 HydrophobicContact CD1-CE 4.35Å; L227-R266 HydrophobicContact CB-CB 3.97Å; L227-R266 HydrophobicContact CB-CG 4.21Å; L227-R266 HydrophobicContact CD1-CB 4.32Å; L227-L269 HydrophobicContact CD1-CD1 3.56Å
228D94.6Very high96.1Very high69 Ų6948.5 Ų48.537%0.36925%0.245SC..THydrogen-bonded Turntrans-83.9-14.9173.6-157.446.1000113.5K164 I224 N225 V226 R266K164-D228 WeakPolarHBondContact CE-OD1 3.46Å; K164-D228 IonicContact NZ-OD1 2.63Å; K164-D228 PolarHBondContact NZ-OD1 2.88Å; K164-D228 IonicContact NZ-OD2 2.7Å; I224-D228 PolarHBondContact O-N 2.98Å; N225-D228 PolarHBondContact O-N 3.28Å; V226-D228 PolarHBondContact O-N 2.97Å; D228-R266 IonicContact OD1-CZ 3.7Å; D228-R266 IonicContact OD1-NE 2.73Å; D228-R266 PolarHBondContact OD1-NE 3.19Å; D228-R266 IonicContact OD1-NH1 2.63Å; D228-R266 IonicContact OD1-NH2 3.72Å; D228-R266 PolarHBondContact OD1-NH2 2.73Å; D228-R266 VanDerWaalsContact OD1-NH2 3.12Å; D228-R266 IonicContact OD2-NH2 3.51Å
229D95.2Very high96.5Very high80 Ų8051.5 Ų51.543%0.42826%0.263SS..  trans-125.2129.2-175177.270.9000111.2V226 E231 A232 T233V226-D229 PolarHBondContact O-N 2.68Å; V226-D229 VanDerWaalsContact O-O 3.09Å; D229-E231 VanDerWaalsContact C-N 3.34Å; D229-E231 PolarHBondContact O-N 2.97Å; D229-E231 WeakPolarHBondContact OD2-CB 3.36Å; D229-E231 PolarHBondContact OD2-N 3.06Å; D229-A232 HydrophobicContact CB-CB 3.93Å; D229-A232 PolarHBondContact O-N 2.68Å; D229-A232 WeakPolarHBondContact OD2-CB 3.4Å; D229-A232 PolarHBondContact OD2-N 2.96Å; D229-T233 WeakPolarHBondContact O-CB 3.45Å; D229-T233 PolarHBondContact O-N 3.03Å; D229-T233 PolarHBondContact O-OG1 3.27Å
230D96.6Very high96.7Very high105 Ų10550.7 Ų50.756%0.56126%0.259SS*.Hα-helixtrans-61.1-42-177.1-73.6-1.8000111.6T233 E234 Q263D230-T233 PolarHBondContact O-N 3.44Å; D230-E234 WeakPolarHBondContact O-CB 3.44Å; D230-E234 PolarHBondContact O-N 3Å; D230-Q263 PolarHBondContact OD1-NE2 3.4Å
231E97Very high96.8Very high155 Ų15551.8 Ų51.872%0.72427%0.267SS*.Hα-helixtrans-71.3-43.5-177.4-173.8179169.900111.1D229 T233 E234 K235D229-E231 VanDerWaalsContact C-N 3.34Å; D229-E231 PolarHBondContact O-N 2.97Å; D229-E231 WeakPolarHBondContact OD2-CB 3.36Å; D229-E231 PolarHBondContact OD2-N 3.06Å; E231-T233 VanDerWaalsContact C-N 3.33Å; E231-T233 PolarHBondContact O-N 3.42Å; E231-E234 PolarHBondContact O-N 2.87Å; E231-K235 WeakPolarHBondContact O-CB 3.16Å; E231-K235 PolarHBondContact O-N 3.48Å
232A97.2Very high97Very high29 Ų2955.4 Ų55.424%0.2428%0.284CS..Hα-helixtrans-61.6-42.1174.300000111.3V226 D229 K235 M236V226-A232 HydrophobicContact CG1-CB 4.18Å; D229-A232 HydrophobicContact CB-CB 3.93Å; D229-A232 PolarHBondContact O-N 2.68Å; D229-A232 WeakPolarHBondContact OD2-CB 3.4Å; D229-A232 PolarHBondContact OD2-N 2.96Å; A232-K235 PolarHBondContact O-N 3.45Å; A232-M236 PolarHBondContact O-N 2.87Å
233T98.1Very high97.1Very high0 Ų055 Ų550%030%0.301CS..Hα-helixtrans-64.3-47.2176-58.40000111.4V226 L227 D229 D230 E231 K235 M236 I237 V259 F262 Q263V226-T233 PolarHBondContact O-OG1 3.47Å; L227-T233 WeakPolarHBondContact CA-OG1 3.4Å; L227-T233 HydrophobicContact CD2-CG2 3.96Å; D229-T233 WeakPolarHBondContact O-CB 3.45Å; D229-T233 PolarHBondContact O-N 3.03Å; D229-T233 PolarHBondContact O-OG1 3.27Å; D230-T233 PolarHBondContact O-N 3.44Å; E231-T233 VanDerWaalsContact C-N 3.33Å; E231-T233 PolarHBondContact O-N 3.42Å; T233-K235 VanDerWaalsContact C-N 3.29Å; T233-K235 PolarHBondContact O-N 3.36Å; T233-M236 PolarHBondContact O-N 2.97Å; T233-I237 HydrophobicContact CG2-CD1 3.88Å; T233-I237 HydrophobicContact CG2-CG1 4.46Å; T233-I237 WeakPolarHBondContact O-CG1 3.25Å; T233-I237 PolarHBondContact O-N 3.21Å; T233-V259 HydrophobicContact CG2-CB 4.45Å; T233-V259 HydrophobicContact CG2-CG1 3.82Å; T233-F262 HydrophobicContact CG2-CB 3.96Å; T233-Q263 HydrophobicContact CG2-CG 4.12Å
234E98.1Very high97.1Very high40 Ų4060.4 Ų60.419%0.18733%0.328CS..Hα-helixtrans-56.7-44.4174.9174.2170.717400111.1D230 E231 I237 S238 F249 S250 T251 V259D230-E234 WeakPolarHBondContact O-CB 3.44Å; D230-E234 PolarHBondContact O-N 3Å; E231-E234 PolarHBondContact O-N 2.87Å; E234-I237 PolarHBondContact O-N 2.93Å; E234-S238 WeakPolarHBondContact O-CB 3.45Å; E234-S238 PolarHBondContact O-N 2.98Å; E234-F249 HydrophobicContact CB-CE1 4.44Å; E234-F249 HydrophobicContact CG-CD1 4.09Å; E234-F249 HydrophobicContact CG-CE1 4Å; E234-S250 WeakPolarHBondContact OE1-CA 3.33Å; E234-S250 WeakPolarHBondContact OE1-CB 3.13Å; E234-S250 PolarHBondContact OE1-OG 3.35Å; E234-T251 HydrophobicContact CG-CG2 4.3Å; E234-T251 PolarHBondContact OE1-N 3.23Å; E234-T251 WeakPolarHBondContact OE2-CB 3.5Å; E234-T251 VanDerWaalsContact OE2-CG2 3.23Å; E234-T251 WeakPolarHBondContact OE2-CG2 3.22Å; E234-T251 PolarHBondContact OE2-OG1 3Å; E234-V259 HydrophobicContact CB-CG2 4.39Å
235K97.9Very high97.1Very high145 Ų14563.9 Ų63.963%0.6335%0.349SS*.Hα-helixtrans-62.5-43.7178-174.7178.8-179.9-178.90112E231 A232 T233 S238 I239E231-K235 WeakPolarHBondContact O-CB 3.16Å; E231-K235 PolarHBondContact O-N 3.48Å; A232-K235 PolarHBondContact O-N 3.45Å; T233-K235 VanDerWaalsContact C-N 3.29Å; T233-K235 PolarHBondContact O-N 3.36Å; K235-S238 WeakPolarHBondContact O-CB 3.28Å; K235-S238 PolarHBondContact O-N 3.37Å; K235-I239 HydrophobicContact CG-CD1 4.37Å; K235-I239 WeakPolarHBondContact O-CG1 3.46Å; K235-I239 PolarHBondContact O-N 3.31Å
236M97.6Very high97.1Very high33 Ų3369 Ų6916%0.16338%0.377CS..Hα-helixtrans-60.9-47.7175.4-179.2-17567.600111.5L223 V226 L227 A232 T233 S238 I239 L240 F262L223-M236 HydrophobicContact CD2-CE 4.5Å; L223-M236 HydrophobicContact CD2-SD 3.5Å; L223-M236 WeakPolarHBondContact CD2-SD 3.32Å; V226-M236 HydrophobicContact CG1-CB 3.88Å; V226-M236 HydrophobicContact CG1-CE 4.28Å; V226-M236 HydrophobicContact CG1-CG 4.44Å; V226-M236 HydrophobicContact CG1-SD 3.88Å; L227-M236 HydrophobicContact CD2-CE 3.79Å; A232-M236 PolarHBondContact O-N 2.87Å; T233-M236 PolarHBondContact O-N 2.97Å; M236-S238 VanDerWaalsContact C-N 3.26Å; M236-S238 PolarHBondContact O-N 3.18Å; M236-I239 PolarHBondContact O-N 3.36Å; M236-L240 HydrophobicContact CG-CD1 4.35Å; M236-L240 WeakPolarHBondContact O-CG 3.45Å; M236-L240 PolarHBondContact O-N 2.96Å; M236-F262 HydrophobicContact CE-CD1 3.6Å; M236-F262 HydrophobicContact CE-CE1 4.09Å
237I97.8Very high97Very high6 Ų674.9 Ų74.93%0.03140%0.4CS..Hα-helixtrans-61.6-38177.3-64.4166.2000110.5T233 E234 L240 S241 F249 L258 V259 F262T233-I237 HydrophobicContact CG2-CD1 3.88Å; T233-I237 HydrophobicContact CG2-CG1 4.46Å; T233-I237 WeakPolarHBondContact O-CG1 3.25Å; T233-I237 PolarHBondContact O-N 3.21Å; E234-I237 PolarHBondContact O-N 2.93Å; I237-L240 PolarHBondContact O-N 3.34Å; I237-S241 VanDerWaalsContact O-CB 3.25Å; I237-S241 WeakPolarHBondContact O-CB 3.21Å; I237-S241 PolarHBondContact O-N 3.36Å; I237-F249 HydrophobicContact CB-CD1 3.76Å; I237-F249 HydrophobicContact CB-CE1 4.08Å; I237-F249 HydrophobicContact CB-CG 4.36Å; I237-F249 HydrophobicContact CD1-CE1 4.22Å; I237-F249 HydrophobicContact CG2-CB 3.98Å; I237-F249 HydrophobicContact CG2-CD1 3.41Å; I237-F249 VanDerWaalsContact CG2-CD1 3.41Å; I237-F249 HydrophobicContact CG2-CD2 4.07Å; I237-F249 HydrophobicContact CG2-CE1 3.82Å; I237-F249 HydrophobicContact CG2-CE2 4.43Å; I237-F249 HydrophobicContact CG2-CG 3.55Å; I237-F249 HydrophobicContact CG2-CZ 4.3Å; I237-L258 HydrophobicContact CD1-CG 4.33Å; I237-L258 HydrophobicContact CG2-CD2 3.88Å; I237-V259 HydrophobicContact CD1-CG2 4Å; I237-F262 HydrophobicContact CD1-CB 4.21Å; I237-F262 HydrophobicContact CD1-CD2 3.72Å; I237-F262 HydrophobicContact CD1-CE2 4.18Å; I237-F262 HydrophobicContact CD1-CG 3.92Å; I237-F262 HydrophobicContact CG1-CD1 4.19Å; I237-F262 HydrophobicContact CG1-CD2 3.95Å; I237-F262 HydrophobicContact CG1-CE1 4.25Å; I237-F262 HydrophobicContact CG1-CE2 4.02Å; I237-F262 HydrophobicContact CG1-CG 4.03Å; I237-F262 HydrophobicContact CG1-CZ 4.16Å
238S97.6Very high96.8Very high28 Ų2879 Ų7920%0.19643%0.43CS..Hα-helixtrans-63.4-41.4175.8-153.30000112.6E234 K235 M236 S241 Q242 F249E234-S238 WeakPolarHBondContact O-CB 3.45Å; E234-S238 PolarHBondContact O-N 2.98Å; K235-S238 WeakPolarHBondContact O-CB 3.28Å; K235-S238 PolarHBondContact O-N 3.37Å; M236-S238 VanDerWaalsContact C-N 3.26Å; M236-S238 PolarHBondContact O-N 3.18Å; S238-S241 PolarHBondContact O-N 2.96Å; S238-Q242 VanDerWaalsContact O-CB 3.3Å; S238-Q242 WeakPolarHBondContact O-CB 3.38Å; S238-Q242 PolarHBondContact O-N 3.21Å; S238-F249 WeakPolarHBondContact CB-O 3.36Å; S238-F249 PolarHBondContact OG-N 3.28Å; S238-F249 PolarHBondContact OG-O 2.94Å
239I97.6Very high96.8Very high112 Ų11277.3 Ų77.357%0.57442%0.419SS*.Hα-helixtrans-62.2-47.2173.5-68164.7000110.7K235 M236 Q242 G243K235-I239 HydrophobicContact CG-CD1 4.37Å; K235-I239 WeakPolarHBondContact O-CG1 3.46Å; K235-I239 PolarHBondContact O-N 3.31Å; M236-I239 PolarHBondContact O-N 3.36Å; I239-Q242 PolarHBondContact O-N 3.09Å; I239-G243 PolarHBondContact O-N 3.32Å
240L96.8Very high96.8Very high77 Ų7775.6 Ų75.640%0.40341%0.414SS..Hα-helixtrans-61.3-47177.5-70173.1000111.6M236 I237 Q242 G243 M244 F262M236-L240 HydrophobicContact CG-CD1 4.35Å; M236-L240 WeakPolarHBondContact O-CG 3.45Å; M236-L240 PolarHBondContact O-N 2.96Å; I237-L240 PolarHBondContact O-N 3.34Å; L240-Q242 VanDerWaalsContact C-N 3.31Å; L240-Q242 PolarHBondContact O-N 3.11Å; L240-G243 PolarHBondContact O-N 2.86Å; L240-M244 WeakPolarHBondContact O-CB 3.48Å; L240-M244 VanDerWaalsContact O-CG 3.25Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.37Å; L240-F262 HydrophobicContact CD1-CE1 3.92Å; L240-F262 HydrophobicContact CD1-CZ 4.21Å
241S97.4Very high96.8Very high32 Ų3272.3 Ų72.322%0.22440%0.397CS..Hα-helixtrans-61.8-41179-169.50000111.4I237 S238 M244 T245 K247I237-S241 VanDerWaalsContact O-CB 3.25Å; I237-S241 WeakPolarHBondContact O-CB 3.21Å; I237-S241 PolarHBondContact O-N 3.36Å; S238-S241 PolarHBondContact O-N 2.96Å; S241-M244 PolarHBondContact O-N 3.2Å; S241-T245 WeakPolarHBondContact O-CA 3.25Å; S241-T245 WeakPolarHBondContact O-CB 3.33Å; S241-T245 PolarHBondContact O-N 3.04Å; S241-T245 PolarHBondContact O-OG1 3.07Å; S241-T245 PolarHBondContact OG-OG1 3.41Å; S241-K247 CarbonylContact C-O 3.02Å; S241-K247 VanDerWaalsContact CB-O 3.3Å; S241-K247 WeakPolarHBondContact CB-O 3.41Å; S241-K247 PolarHBondContact OG-O 2.95Å
242Q97.4Very high96.6Very high77 Ų7769.3 Ų69.336%0.3639%0.394SS..Hα-helixtrans-64.6-45.7176.6-173.162.95100111.1S238 I239 L240 M244 D246 K247 S248S238-Q242 VanDerWaalsContact O-CB 3.3Å; S238-Q242 WeakPolarHBondContact O-CB 3.38Å; S238-Q242 PolarHBondContact O-N 3.21Å; I239-Q242 PolarHBondContact O-N 3.09Å; L240-Q242 VanDerWaalsContact C-N 3.31Å; L240-Q242 PolarHBondContact O-N 3.11Å; Q242-M244 PolarHBondContact O-N 2.85Å; Q242-D246 PolarHBondContact NE2-O 3Å; Q242-D246 WeakPolarHBondContact O-CA 3.17Å; Q242-D246 PolarHBondContact O-N 3.35Å; Q242-D246 VanDerWaalsContact O-N 3.08Å; Q242-K247 WeakPolarHBondContact CA-O 3.46Å; Q242-K247 PolarHBondContact N-O 3.28Å; Q242-S248 PolarHBondContact OE1-OG 2.98Å
243G97.2Very high96.2Very high69 Ų6977.5 Ų77.571%0.71142%0.424SS*.Hα-helixtrans-68-30.7179.500000114.3I239 L240I239-G243 PolarHBondContact O-N 3.32Å; L240-G243 PolarHBondContact O-N 2.86Å
244M97.2Very high95.9Very high156 Ų15679.4 Ų79.477%0.76844%0.444SS*.Hα-helixtrans-96.7-25.3-175.5-64.5179.376.700114.2L240 S241 Q242L240-M244 WeakPolarHBondContact O-CB 3.48Å; L240-M244 VanDerWaalsContact O-CG 3.25Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.37Å; S241-M244 PolarHBondContact O-N 3.2Å; Q242-M244 PolarHBondContact O-N 2.85Å
245T96.7Very high95.7Very high74 Ų7478.5 Ų78.545%0.45445%0.445SS..Hα-helixtrans-137.70.7-169.171.40000114.7S241 K247S241-T245 WeakPolarHBondContact O-CA 3.25Å; S241-T245 WeakPolarHBondContact O-CB 3.33Å; S241-T245 PolarHBondContact O-N 3.04Å; S241-T245 PolarHBondContact O-OG1 3.07Å; S241-T245 PolarHBondContact OG-OG1 3.41Å; T245-K247 PolarHBondContact O-N 2.66Å; T245-K247 VanDerWaalsContact O-N 3.15Å; T245-K247 PolarHBondContact OG1-N 3.19Å
246D95.8Very high95.7Very high138 Ų13878 Ų7874%0.73844%0.443SS*.SBendtrans56.121-171.9-64.1-49.2000114.4Q242Q242-D246 PolarHBondContact NE2-O 3Å; Q242-D246 WeakPolarHBondContact O-CA 3.17Å; Q242-D246 PolarHBondContact O-N 3.35Å; Q242-D246 VanDerWaalsContact O-N 3.08Å
247K95.5Very high95.6Very high143 Ų14382.2 Ų82.262%0.62246%0.462SS*.  trans-118.4139.2178.8-65.1171.4-175.1-660109.7S241 Q242 T245S241-K247 CarbonylContact C-O 3.02Å; S241-K247 VanDerWaalsContact CB-O 3.3Å; S241-K247 WeakPolarHBondContact CB-O 3.41Å; S241-K247 PolarHBondContact OG-O 2.95Å; Q242-K247 WeakPolarHBondContact CA-O 3.46Å; Q242-K247 PolarHBondContact N-O 3.28Å; T245-K247 PolarHBondContact O-N 2.66Å; T245-K247 VanDerWaalsContact O-N 3.15Å; T245-K247 PolarHBondContact OG1-N 3.19Å
248S93.4Very high95.6Very high92 Ų9285.1 Ų85.164%0.64348%0.478SS*.  trans-82.9139.7171.2-41.40000110.3Q242Q242-S248 PolarHBondContact OE1-OG 2.98Å
249F95.2Very high95.6Very high32 Ų3284.1 Ų84.114%0.1447%0.47CS..  trans-92.8143.3171.1171.4-98.6000110.2E234 I237 S238 T251 G255 L258 V259E234-F249 HydrophobicContact CB-CE1 4.44Å; E234-F249 HydrophobicContact CG-CD1 4.09Å; E234-F249 HydrophobicContact CG-CE1 4Å; I237-F249 HydrophobicContact CB-CD1 3.76Å; I237-F249 HydrophobicContact CB-CE1 4.08Å; I237-F249 HydrophobicContact CB-CG 4.36Å; I237-F249 HydrophobicContact CD1-CE1 4.22Å; I237-F249 HydrophobicContact CG2-CB 3.98Å; I237-F249 HydrophobicContact CG2-CD1 3.41Å; I237-F249 VanDerWaalsContact CG2-CD1 3.41Å; I237-F249 HydrophobicContact CG2-CD2 4.07Å; I237-F249 HydrophobicContact CG2-CE1 3.82Å; I237-F249 HydrophobicContact CG2-CE2 4.43Å; I237-F249 HydrophobicContact CG2-CG 3.55Å; I237-F249 HydrophobicContact CG2-CZ 4.3Å; S238-F249 WeakPolarHBondContact CB-O 3.36Å; S238-F249 PolarHBondContact OG-N 3.28Å; S238-F249 PolarHBondContact OG-O 2.94Å; F249-T251 HydrophobicContact CE1-CG2 4.14Å; F249-T251 HydrophobicContact CZ-CG2 4.13Å; F249-G255 WeakPolarHBondContact CZ-O 3.3Å; F249-L258 HydrophobicContact CD2-CD2 4.18Å; F249-L258 HydrophobicContact CE2-CB 4.36Å; F249-L258 HydrophobicContact CE2-CD2 3.78Å; F249-L258 HydrophobicContact CZ-CB 4.31Å; F249-L258 HydrophobicContact CZ-CD2 4.23Å; F249-V259 HydrophobicContact CE1-CG2 3.97Å; F249-V259 HydrophobicContact CZ-CG2 4.14Å
250S95.5Very high95.6Very high45 Ų4584.4 Ų84.432%0.31547%0.469SS..  trans-153.3144.8166.7178.80000112E234 S252E234-S250 WeakPolarHBondContact OE1-CA 3.33Å; E234-S250 WeakPolarHBondContact OE1-CB 3.13Å; E234-S250 PolarHBondContact OE1-OG 3.35Å; S250-S252 PolarHBondContact O-N 2.61Å; S250-S252 PolarHBondContact OG-N 3.42Å; S250-S252 PolarHBondContact OG-OG 3.29Å
251T95.5Very high95.7Very high35 Ų3585.7 Ų85.722%0.21548%0.475CS..G310 helixtrans-74.6-7.3175.963.50000113.7E234 F249 F253 G254 K256 V259E234-T251 HydrophobicContact CG-CG2 4.3Å; E234-T251 PolarHBondContact OE1-N 3.23Å; E234-T251 WeakPolarHBondContact OE2-CB 3.5Å; E234-T251 VanDerWaalsContact OE2-CG2 3.23Å; E234-T251 WeakPolarHBondContact OE2-CG2 3.22Å; E234-T251 PolarHBondContact OE2-OG1 3Å; F249-T251 HydrophobicContact CE1-CG2 4.14Å; F249-T251 HydrophobicContact CZ-CG2 4.13Å; T251-F253 PolarHBondContact O-N 3Å; T251-F253 VanDerWaalsContact O-N 3.09Å; T251-G254 WeakPolarHBondContact CA-O 3.25Å; T251-G254 PolarHBondContact O-N 3.22Å; T251-G254 VanDerWaalsContact O-N 3.17Å; T251-K256 HydrophobicContact CG2-CG 4.33Å; T251-V259 HydrophobicContact CG2-CG2 3.69Å
252S92.9Very high95.7Very high93 Ų9386.4 Ų86.465%0.6547%0.474SS*.G310 helixtrans-56.4-27-179.9-61.60000114S250S250-S252 PolarHBondContact O-N 2.61Å; S250-S252 PolarHBondContact OG-N 3.42Å; S250-S252 PolarHBondContact OG-OG 3.29Å
253F88.2Confident95.7Very high201 Ų20184.7 Ų84.788%0.88247%0.466SS*.G310 helixtrans-119.514.4-177.2-56.4-77.3000113.2T251T251-F253 PolarHBondContact O-N 3Å; T251-F253 VanDerWaalsContact O-N 3.09Å
254G93Very high95.8Very high40 Ų4086.3 Ų86.341%0.41246%0.462SS..SBendtrans112.9178.5-171.900000112.5T251T251-G254 WeakPolarHBondContact CA-O 3.25Å; T251-G254 PolarHBondContact O-N 3.22Å; T251-G254 VanDerWaalsContact O-N 3.17Å
255G93.6Very high95.8Very high21 Ų2183 Ų8322%0.21645%0.446CS..  trans95.211.8-17800000114.5F249 E257 L258 V259F249-G255 WeakPolarHBondContact CZ-O 3.3Å; G255-E257 PolarHBondContact O-N 3.31Å; G255-L258 WeakPolarHBondContact O-CB 3.38Å; G255-L258 PolarHBondContact O-N 2.97Å; G255-V259 PolarHBondContact O-N 3.44Å
256K97.1Very high95.7Very high133 Ų13380.5 Ų80.558%0.57843%0.429SS*.Hα-helixtrans-57.7-34.8170.5-68.2-171.9176.4-167.50111.5T251 L258 V259 E260T251-K256 HydrophobicContact CG2-CG 4.33Å; K256-L258 PolarHBondContact O-N 3.26Å; K256-V259 WeakPolarHBondContact O-CB 3.47Å; K256-V259 PolarHBondContact O-N 3.25Å; K256-V259 VanDerWaalsContact O-N 3.09Å; K256-E260 WeakPolarHBondContact O-CG 3.47Å; K256-E260 PolarHBondContact O-N 3.45Å
257E97Very high95.7Very high123 Ų12377.8 Ų77.858%0.57542%0.418SS*.Hα-helixtrans-59.7-32.1175-54.689.7159.600111.7G255 I261G255-E257 PolarHBondContact O-N 3.31Å; E257-I261 WeakPolarHBondContact O-CB 3.48Å; E257-I261 WeakPolarHBondContact O-CD1 3.49Å; E257-I261 WeakPolarHBondContact O-CG1 3.19Å; E257-I261 PolarHBondContact O-N 2.78Å
258L97Very high95.8Very high67 Ų6774.1 Ų74.135%0.35142%0.415SS..Hα-helixtrans-71.9-41.6175.8-172.761.8000111.4I237 F249 G255 K256 I261 F262I237-L258 HydrophobicContact CD1-CG 4.33Å; I237-L258 HydrophobicContact CG2-CD2 3.88Å; F249-L258 HydrophobicContact CD2-CD2 4.18Å; F249-L258 HydrophobicContact CE2-CB 4.36Å; F249-L258 HydrophobicContact CE2-CD2 3.78Å; F249-L258 HydrophobicContact CZ-CB 4.31Å; F249-L258 HydrophobicContact CZ-CD2 4.23Å; G255-L258 WeakPolarHBondContact O-CB 3.38Å; G255-L258 PolarHBondContact O-N 2.97Å; K256-L258 PolarHBondContact O-N 3.26Å; L258-I261 PolarHBondContact O-N 3.38Å; L258-F262 HydrophobicContact CD1-CD2 4.08Å; L258-F262 HydrophobicContact CD1-CE2 3.87Å; L258-F262 HydrophobicContact CG-CD2 4.21Å; L258-F262 HydrophobicContact CG-CE2 4.15Å; L258-F262 WeakPolarHBondContact O-CD2 3.41Å; L258-F262 PolarHBondContact O-N 3.49Å
259V98.1Very high96Very high7 Ų771 Ų714%0.04239%0.391CS..Hα-helixtrans-58.2-51.1173.4172.70000109.9T233 E234 I237 F249 T251 G255 K256 I261 F262 Q263T233-V259 HydrophobicContact CG2-CB 4.45Å; T233-V259 HydrophobicContact CG2-CG1 3.82Å; E234-V259 HydrophobicContact CB-CG2 4.39Å; I237-V259 HydrophobicContact CD1-CG2 4Å; F249-V259 HydrophobicContact CE1-CG2 3.97Å; F249-V259 HydrophobicContact CZ-CG2 4.14Å; T251-V259 HydrophobicContact CG2-CG2 3.69Å; G255-V259 PolarHBondContact O-N 3.44Å; K256-V259 WeakPolarHBondContact O-CB 3.47Å; K256-V259 PolarHBondContact O-N 3.25Å; K256-V259 VanDerWaalsContact O-N 3.09Å; V259-I261 VanDerWaalsContact C-N 3.33Å; V259-I261 PolarHBondContact O-N 2.87Å; V259-F262 PolarHBondContact O-N 3.41Å; V259-Q263 HydrophobicContact CG1-CG 4.39Å; V259-Q263 WeakPolarHBondContact O-CG 3.25Å; V259-Q263 PolarHBondContact O-N 2.74Å
260E97.8Very high96Very high117 Ų11769.9 Ų69.955%0.54739%0.386SS..Hα-helixtrans-56.8-44.9178-70.1170.6-173.700111.6K256 F262 Q263 T264K256-E260 WeakPolarHBondContact O-CG 3.47Å; K256-E260 PolarHBondContact O-N 3.45Å; E260-F262 VanDerWaalsContact C-N 3.34Å; E260-F262 PolarHBondContact O-N 3.32Å; E260-Q263 PolarHBondContact O-N 3.18Å; E260-T264 WeakPolarHBondContact O-CG2 3.4Å; E260-T264 PolarHBondContact O-N 3.48Å
261I98.2Very high95.9Very high104 Ų10473.8 Ų73.853%0.53340%0.397SS..Hα-helixtrans-57.7-45.2175.7-74.4163.8000111.2E257 L258 V259 T264E257-I261 WeakPolarHBondContact O-CB 3.48Å; E257-I261 WeakPolarHBondContact O-CD1 3.49Å; E257-I261 WeakPolarHBondContact O-CG1 3.19Å; E257-I261 PolarHBondContact O-N 2.78Å; L258-I261 PolarHBondContact O-N 3.38Å; V259-I261 VanDerWaalsContact C-N 3.33Å; V259-I261 PolarHBondContact O-N 2.87Å; I261-T264 PolarHBondContact O-N 3.03Å; I261-T264 PolarHBondContact O-OG1 3Å
262F97.9Very high95.9Very high48 Ų4874.7 Ų74.721%0.21140%0.401CS..Hα-helixtrans-63.4-43.4177.5-91.5-103.5000111.7L227 T233 M236 I237 L240 L258 V259 E260 T264 M265L227-F262 HydrophobicContact CD2-CB 3.98Å; T233-F262 HydrophobicContact CG2-CB 3.96Å; M236-F262 HydrophobicContact CE-CD1 3.6Å; M236-F262 HydrophobicContact CE-CE1 4.09Å; I237-F262 HydrophobicContact CD1-CB 4.21Å; I237-F262 HydrophobicContact CD1-CD2 3.72Å; I237-F262 HydrophobicContact CD1-CE2 4.18Å; I237-F262 HydrophobicContact CD1-CG 3.92Å; I237-F262 HydrophobicContact CG1-CD1 4.19Å; I237-F262 HydrophobicContact CG1-CD2 3.95Å; I237-F262 HydrophobicContact CG1-CE1 4.25Å; I237-F262 HydrophobicContact CG1-CE2 4.02Å; I237-F262 HydrophobicContact CG1-CG 4.03Å; I237-F262 HydrophobicContact CG1-CZ 4.16Å; L240-F262 HydrophobicContact CD1-CE1 3.92Å; L240-F262 HydrophobicContact CD1-CZ 4.21Å; L258-F262 HydrophobicContact CD1-CD2 4.08Å; L258-F262 HydrophobicContact CD1-CE2 3.87Å; L258-F262 HydrophobicContact CG-CD2 4.21Å; L258-F262 HydrophobicContact CG-CE2 4.15Å; L258-F262 WeakPolarHBondContact O-CD2 3.41Å; L258-F262 PolarHBondContact O-N 3.49Å; V259-F262 PolarHBondContact O-N 3.41Å; E260-F262 VanDerWaalsContact C-N 3.34Å; E260-F262 PolarHBondContact O-N 3.32Å; F262-T264 PolarHBondContact O-N 3.25Å; F262-M265 HydrophobicContact CB-CE 4.24Å; F262-M265 HydrophobicContact CD1-CE 3.57Å; F262-M265 HydrophobicContact CE1-CE 4.24Å; F262-M265 HydrophobicContact CG-CE 4.1Å; F262-M265 WeakPolarHBondContact O-CB 3.49Å; F262-M265 WeakPolarHBondContact O-CE 3.08Å; F262-M265 WeakPolarHBondContact O-CG 3.38Å; F262-M265 PolarHBondContact O-N 3.4Å; F262-M265 VanDerWaalsContact O-N 3.11Å
263Q98Very high95.9Very high40 Ų4071.3 Ų71.319%0.18737%0.374CS..Hα-helixtrans-64.5-26.3179.4-66.2175.2-37.100112.7L227 D230 T233 V259 E260 M265 R266L227-Q263 WeakPolarHBondContact O-CG 3.38Å; D230-Q263 PolarHBondContact OD1-NE2 3.4Å; T233-Q263 HydrophobicContact CG2-CG 4.12Å; V259-Q263 HydrophobicContact CG1-CG 4.39Å; V259-Q263 WeakPolarHBondContact O-CG 3.25Å; V259-Q263 PolarHBondContact O-N 2.74Å; E260-Q263 PolarHBondContact O-N 3.18Å; Q263-M265 PolarHBondContact O-N 3.37Å; Q263-M265 VanDerWaalsContact O-N 3.09Å; Q263-R266 WeakPolarHBondContact O-CB 3.35Å; Q263-R266 PolarHBondContact O-N 3.26Å
264T97.7Very high96.1Very high103 Ų10362.5 Ų62.563%0.63234%0.338SS*.THydrogen-bonded Turntrans-61.3-18.1174.171.40000114.1E260 I261 F262 R266 P267E260-T264 WeakPolarHBondContact O-CG2 3.4Å; E260-T264 PolarHBondContact O-N 3.48Å; I261-T264 PolarHBondContact O-N 3.03Å; I261-T264 PolarHBondContact O-OG1 3Å; F262-T264 PolarHBondContact O-N 3.25Å; T264-R266 VanDerWaalsContact C-N 3.28Å; T264-P267 WeakPolarHBondContact O-CD 3.48Å
265M97Very high95.9Very high87 Ų8764.8 Ų64.843%0.42934%0.338SS..THydrogen-bonded Turntrans-74.2-20.1174.6-58.2-174.3-6500112.7L227 F262 Q263 A268 L269L227-M265 HydrophobicContact CD1-CB 4.23Å; L227-M265 HydrophobicContact CD1-CE 4.35Å; F262-M265 HydrophobicContact CB-CE 4.24Å; F262-M265 HydrophobicContact CD1-CE 3.57Å; F262-M265 HydrophobicContact CE1-CE 4.24Å; F262-M265 HydrophobicContact CG-CE 4.1Å; F262-M265 WeakPolarHBondContact O-CB 3.49Å; F262-M265 WeakPolarHBondContact O-CE 3.08Å; F262-M265 WeakPolarHBondContact O-CG 3.38Å; F262-M265 PolarHBondContact O-N 3.4Å; F262-M265 VanDerWaalsContact O-N 3.11Å; Q263-M265 PolarHBondContact O-N 3.37Å; Q263-M265 VanDerWaalsContact O-N 3.09Å; M265-A268 WeakPolarHBondContact O-CB 3.4Å; M265-A268 PolarHBondContact O-N 2.92Å; M265-A268 VanDerWaalsContact O-N 3.13Å; M265-L269 HydrophobicContact CB-CD1 4.35Å; M265-L269 PolarHBondContact O-N 2.63Å
266R96.4Very high95.7Very high22 Ų2266.7 Ų66.78%0.08334%0.34CS..Hα-helixtrans-57.2-47.2-171-172.6178.2-177.5-9611.5113.8E168 I224 L227 D228 Q263 T264 A268 L269 M270E168-R266 IonicContact OE1-CZ 3.81Å; E168-R266 IonicContact OE1-NH1 3.59Å; E168-R266 PolarHBondContact OE1-NH1 3.3Å; E168-R266 IonicContact OE1-NH2 3.43Å; E168-R266 PolarHBondContact OE1-NH2 3.12Å; E168-R266 IonicContact OE2-NH2 2.73Å; I224-R266 HydrophobicContact CG2-CG 4.21Å; I224-R266 PolarHBondContact O-NE 3.12Å; L227-R266 HydrophobicContact CB-CB 3.97Å; L227-R266 HydrophobicContact CB-CG 4.21Å; L227-R266 HydrophobicContact CD1-CB 4.32Å; D228-R266 IonicContact OD1-CZ 3.7Å; D228-R266 IonicContact OD1-NE 2.73Å; D228-R266 PolarHBondContact OD1-NE 3.19Å; D228-R266 IonicContact OD1-NH1 2.63Å; D228-R266 IonicContact OD1-NH2 3.72Å; D228-R266 PolarHBondContact OD1-NH2 2.73Å; D228-R266 VanDerWaalsContact OD1-NH2 3.12Å; D228-R266 IonicContact OD2-NH2 3.51Å; Q263-R266 WeakPolarHBondContact O-CB 3.35Å; Q263-R266 PolarHBondContact O-N 3.26Å; T264-R266 VanDerWaalsContact C-N 3.28Å; R266-A268 VanDerWaalsContact C-N 3.29Å; R266-A268 PolarHBondContact O-N 2.7Å; R266-L269 WeakPolarHBondContact O-CB 3.34Å; R266-L269 PolarHBondContact O-N 2.76Å; R266-L269 VanDerWaalsContact O-N 3.14Å; R266-M270 HydrophobicContact CG-SD 4.39Å; R266-M270 PolarHBondContact NH1-SD 2.91Å; R266-M270 PolarHBondContact O-N 3.25Å
267P95.6Very high95Very high80 Ų8061.2 Ų61.252%0.51932%0.318SS..Hα-helixtrans-61.8-36.4178-23.335.4000113T264 L269 M270 K271T264-P267 WeakPolarHBondContact O-CD 3.48Å; P267-L269 VanDerWaalsContact C-N 3.35Å; P267-M270 PolarHBondContact O-N 3.42Å; P267-K271 PolarHBondContact O-N 2.82Å
268A96.8Very high94.1Very high66 Ų6657.2 Ų57.255%0.54530%0.303SS..Hα-helixtrans-68.4-35.7176.900000111.9M265 R266 L272M265-A268 WeakPolarHBondContact O-CB 3.4Å; M265-A268 PolarHBondContact O-N 2.92Å; M265-A268 VanDerWaalsContact O-N 3.13Å; R266-A268 VanDerWaalsContact C-N 3.29Å; R266-A268 PolarHBondContact O-N 2.7Å; A268-L272 WeakPolarHBondContact O-CB 3.36Å; A268-L272 PolarHBondContact O-N 2.94Å
269L96.8Very high93.4Very high28 Ų2859.3 Ų59.315%0.14732%0.315CS..Hα-helixtrans-68.6-41.6174.3-69.9166.2000112.1I220 L223 I224 L227 M265 R266 P267 K271 L272 Y273I220-L269 HydrophobicContact CG2-CD2 4.43Å; L223-L269 HydrophobicContact CB-CD1 3.89Å; L223-L269 HydrophobicContact CD1-CD1 4.49Å; I224-L269 HydrophobicContact CD1-CB 4.18Å; I224-L269 HydrophobicContact CG1-CB 3.61Å; L227-L269 HydrophobicContact CD1-CD1 3.56Å; M265-L269 HydrophobicContact CB-CD1 4.35Å; M265-L269 PolarHBondContact O-N 2.63Å; R266-L269 WeakPolarHBondContact O-CB 3.34Å; R266-L269 PolarHBondContact O-N 2.76Å; R266-L269 VanDerWaalsContact O-N 3.14Å; P267-L269 VanDerWaalsContact C-N 3.35Å; L269-K271 VanDerWaalsContact C-N 3.33Å; L269-K271 PolarHBondContact O-N 3.48Å; L269-L272 PolarHBondContact O-N 3.32Å; L269-Y273 WeakPolarHBondContact O-CB 3.34Å; L269-Y273 PolarHBondContact O-N 2.91Å
270M96.1Very high92.8Very high8 Ų862 Ų624%0.03933%0.327CS..Hα-helixtrans-59.3-45.1174-76168.944.600111.6E167 E168 V171 F214 I224 R266 P267 L272 Y273 A274E167-M270 HydrophobicContact CG-CE 4.06Å; E168-M270 HydrophobicContact CG-CE 3.96Å; E168-M270 HydrophobicContact CG-SD 4.17Å; V171-M270 HydrophobicContact CG1-CB 4.39Å; V171-M270 WeakPolarHBondContact CG1-O 3.46Å; V171-M270 HydrophobicContact CG2-CB 4.46Å; V171-M270 HydrophobicContact CG2-CE 4.08Å; F214-M270 HydrophobicContact CE1-CG 4.37Å; F214-M270 HydrophobicContact CZ-CG 3.96Å; I224-M270 HydrophobicContact CD1-CG 4.21Å; I224-M270 HydrophobicContact CG1-CG 4.33Å; I224-M270 HydrophobicContact CG2-CG 3.76Å; R266-M270 HydrophobicContact CG-SD 4.39Å; R266-M270 PolarHBondContact NH1-SD 2.91Å; R266-M270 PolarHBondContact O-N 3.25Å; P267-M270 PolarHBondContact O-N 3.42Å; M270-L272 PolarHBondContact O-N 3.27Å; M270-Y273 WeakPolarHBondContact O-CB 3.42Å; M270-Y273 PolarHBondContact O-N 3.39Å; M270-A274 PolarHBondContact O-N 2.89Å; M270-A274 VanDerWaalsContact O-N 3.1Å
271K93.6Very high92.3Very high127 Ų12756.9 Ų56.955%0.55230%0.303SS*.Hα-helixtrans-58.7-48.4174.7-178.4178.5174.3-178.90111.3P267 L269 Y273 A274 E275P267-K271 PolarHBondContact O-N 2.82Å; L269-K271 VanDerWaalsContact C-N 3.33Å; L269-K271 PolarHBondContact O-N 3.48Å; K271-Y273 VanDerWaalsContact C-N 3.27Å; K271-Y273 PolarHBondContact O-N 3.49Å; K271-A274 PolarHBondContact O-N 3.48Å; K271-E275 VanDerWaalsContact CE-CD 3.4Å; K271-E275 WeakPolarHBondContact CE-OE1 3.09Å; K271-E275 WeakPolarHBondContact CE-OE2 3.44Å; K271-E275 HydrophobicContact CG-CG 4.46Å; K271-E275 IonicContact NZ-OE1 3.79Å; K271-E275 WeakPolarHBondContact O-CG 3.36Å; K271-E275 PolarHBondContact O-N 2.79Å; K271-E275 VanDerWaalsContact O-N 3.11Å
272L94.2Very high91.7Very high54 Ų5457.9 Ų57.928%0.28330%0.301SS..Hα-helixtrans-61.2-36.9178-174.164.7000112.3A268 L269 M270 E275 K276 W284A268-L272 WeakPolarHBondContact O-CB 3.36Å; A268-L272 PolarHBondContact O-N 2.94Å; L269-L272 PolarHBondContact O-N 3.32Å; M270-L272 PolarHBondContact O-N 3.27Å; L272-E275 PolarHBondContact O-N 2.93Å; L272-K276 HydrophobicContact CD1-CG 3.78Å; L272-K276 HydrophobicContact CG-CG 4.28Å; L272-K276 WeakPolarHBondContact O-CB 3.42Å; L272-K276 VanDerWaalsContact O-CG 3.3Å; L272-K276 WeakPolarHBondContact O-CG 3.32Å; L272-K276 PolarHBondContact O-N 3.35Å; L272-W284 HydrophobicContact CD1-CH2 4.03Å; L272-W284 HydrophobicContact CD2-CH2 3.79Å; L272-W284 HydrophobicContact CD2-CZ3 4.02Å; L272-W284 HydrophobicContact CG-CH2 3.97Å
273Y93.9Very high91.2Very high21 Ų2162.9 Ų62.98%0.08233%0.325CS..Hα-helixtrans-63.7-42.3177.2-173.2-81.3000111.9V171 S175 F214 S215 I220 I224 L269 M270 K271V171-Y273 HydrophobicContact CG1-CD1 4.13Å; S175-Y273 WeakPolarHBondContact OG-CE1 3.46Å; F214-Y273 HydrophobicContact CB-CE2 4.46Å; F214-Y273 AromaticContact CD1-CD1 3.94Å; F214-Y273 HydrophobicContact CD1-CD1 3.94Å; F214-Y273 HydrophobicContact CD1-CD2 4.29Å; F214-Y273 AromaticContact CD1-CE1 3.94Å; F214-Y273 HydrophobicContact CD1-CE1 3.94Å; F214-Y273 HydrophobicContact CD1-CE2 4.27Å; F214-Y273 HydrophobicContact CD1-CG 4.13Å; F214-Y273 HydrophobicContact CE1-CD1 4.23Å; S215-Y273 WeakPolarHBondContact CB-OH 3.38Å; I220-Y273 HydrophobicContact CB-CD2 4.39Å; I220-Y273 HydrophobicContact CG2-CD2 4.01Å; I224-Y273 HydrophobicContact CD1-CD2 4.03Å; I224-Y273 HydrophobicContact CD1-CG 4.07Å; L269-Y273 WeakPolarHBondContact O-CB 3.34Å; L269-Y273 PolarHBondContact O-N 2.91Å; M270-Y273 WeakPolarHBondContact O-CB 3.42Å; M270-Y273 PolarHBondContact O-N 3.39Å; K271-Y273 VanDerWaalsContact C-N 3.27Å; K271-Y273 PolarHBondContact O-N 3.49Å
274A91.7Very high90.8Very high17 Ų1766.7 Ų66.714%0.1434%0.338CS..Hα-helixtrans-73.1-26.2176.600000114.1V171 M270 K271V171-A274 HydrophobicContact CG1-CB 3.95Å; M270-A274 PolarHBondContact O-N 2.89Å; M270-A274 VanDerWaalsContact O-N 3.1Å; K271-A274 PolarHBondContact O-N 3.48Å
275E90.2Very high90.2Very high87 Ų8766.4 Ų66.441%0.40733%0.328SS..Hα-helixtrans-89-9.1-175.6-73.7179.3163.100114K271 L272K271-E275 VanDerWaalsContact CE-CD 3.4Å; K271-E275 WeakPolarHBondContact CE-OE1 3.09Å; K271-E275 WeakPolarHBondContact CE-OE2 3.44Å; K271-E275 HydrophobicContact CG-CG 4.46Å; K271-E275 IonicContact NZ-OE1 3.79Å; K271-E275 WeakPolarHBondContact O-CG 3.36Å; K271-E275 PolarHBondContact O-N 2.79Å; K271-E275 VanDerWaalsContact O-N 3.11Å; L272-E275 PolarHBondContact O-N 2.93Å
276K88.6Confident88.9Confident61 Ų6163.4 Ų63.427%0.26532%0.319SS..SBendtrans-118.2133.8-173.3-66.5-64.2172.5-160.30112.7L272 E280 I281 W284L272-K276 HydrophobicContact CD1-CG 3.78Å; L272-K276 HydrophobicContact CG-CG 4.28Å; L272-K276 WeakPolarHBondContact O-CB 3.42Å; L272-K276 VanDerWaalsContact O-CG 3.3Å; L272-K276 WeakPolarHBondContact O-CG 3.32Å; L272-K276 PolarHBondContact O-N 3.35Å; K276-E280 WeakPolarHBondContact CA-OE2 3.44Å; K276-E280 HydrophobicContact CD-CB 4.26Å; K276-E280 WeakPolarHBondContact CD-OE1 3.09Å; K276-E280 VanDerWaalsContact CD-OE2 3.29Å; K276-E280 WeakPolarHBondContact CD-OE2 3.39Å; K276-E280 IonicContact NZ-OE1 3.23Å; K276-E280 PolarHBondContact NZ-OE1 3.34Å; K276-E280 IonicContact NZ-OE2 3.67Å; K276-I281 HydrophobicContact CB-CD1 4.08Å; K276-I281 HydrophobicContact CB-CG1 3.8Å; K276-W284 HydrophobicContact CD-CZ2 4.11Å; K276-W284 HydrophobicContact CG-CH2 4.04Å; K276-W284 HydrophobicContact CG-CZ2 4.02Å
277T82Confident87Confident18 Ų1867.1 Ų67.111%0.1135%0.348CS..  trans-74156.417675.10000110.7E182 D279 E280 I281E182-T277 VanDerWaalsContact OE2-CB 3.24Å; E182-T277 WeakPolarHBondContact OE2-CB 3.36Å; E182-T277 WeakPolarHBondContact OE2-CG2 3.5Å; T277-D279 PolarHBondContact O-N 3.35Å; T277-E280 PolarHBondContact N-OE2 3.09Å; T277-E280 PolarHBondContact O-N 2.97Å; T277-E280 VanDerWaalsContact O-N 3.16Å; T277-E280 WeakPolarHBondContact OG1-CG 3.45Å; T277-E280 PolarHBondContact OG1-N 3.3Å; T277-E280 VanDerWaalsContact OG1-N 3.14Å; T277-I281 WeakPolarHBondContact O-CG1 3.48Å; T277-I281 PolarHBondContact O-N 3.3Å
278P79.2Confident84.7Confident40 Ų4073.4 Ų73.426%0.2636%0.363SS..Hα-helixtrans-56.3-34.4174-2835.5000112.8D179 I281 Y282D179-P278 HydrophobicContact CB-CG 4.28Å; D179-P278 WeakPolarHBondContact OD1-CD 3.43Å; D179-P278 WeakPolarHBondContact OD1-CG 3.39Å; D179-P278 WeakPolarHBondContact OD2-CG 3.34Å; P278-I281 PolarHBondContact O-N 3.19Å; P278-Y282 WeakPolarHBondContact O-CB 3.37Å; P278-Y282 PolarHBondContact O-N 3.23Å
279D81.1Confident82.3Confident111 Ų11179.5 Ų79.559%0.59438%0.38SS*.Hα-helixtrans-68.5-44.9176.6-78.3-5.6000111.3T277 I281 Y282 E283T277-D279 PolarHBondContact O-N 3.35Å; D279-I281 VanDerWaalsContact C-N 3.33Å; D279-I281 PolarHBondContact O-N 3.24Å; D279-Y282 WeakPolarHBondContact O-CB 3.37Å; D279-Y282 PolarHBondContact O-N 2.98Å; D279-E283 WeakPolarHBondContact O-CG 3.45Å; D279-E283 PolarHBondContact O-N 3.33Å
280E85.3Confident79.6Confident63 Ų6380.3 Ų80.329%0.29440%0.395SS..Hα-helixtrans-60.6-42173.7-73.8-178.3103.100111.9K276 T277 E283 W284K276-E280 WeakPolarHBondContact CA-OE2 3.44Å; K276-E280 HydrophobicContact CD-CB 4.26Å; K276-E280 WeakPolarHBondContact CD-OE1 3.09Å; K276-E280 VanDerWaalsContact CD-OE2 3.29Å; K276-E280 WeakPolarHBondContact CD-OE2 3.39Å; K276-E280 IonicContact NZ-OE1 3.23Å; K276-E280 PolarHBondContact NZ-OE1 3.34Å; K276-E280 IonicContact NZ-OE2 3.67Å; T277-E280 PolarHBondContact N-OE2 3.09Å; T277-E280 PolarHBondContact O-N 2.97Å; T277-E280 VanDerWaalsContact O-N 3.16Å; T277-E280 WeakPolarHBondContact OG1-CG 3.45Å; T277-E280 PolarHBondContact OG1-N 3.3Å; T277-E280 VanDerWaalsContact OG1-N 3.14Å; E280-E283 PolarHBondContact O-N 2.76Å; E280-W284 PolarHBondContact O-NE1 3.34Å
281I87.2Confident76.7Confident9 Ų983.4 Ų83.45%0.04643%0.429CS..Hα-helixtrans-66.9-42.8177.2-63.9170.4000109.9Y218 I220 K276 T277 P278 D279 E283 W284 F285Y218-I281 HydrophobicContact CD1-CG2 3.9Å; Y218-I281 HydrophobicContact CD2-CB 4.4Å; Y218-I281 HydrophobicContact CD2-CG2 3.62Å; Y218-I281 HydrophobicContact CE2-CG2 4.29Å; Y218-I281 HydrophobicContact CG-CG2 3.4Å; I220-I281 HydrophobicContact CD1-CD1 3.89Å; I220-I281 HydrophobicContact CD1-CG1 3.81Å; I220-I281 HydrophobicContact CD1-CG2 4Å; K276-I281 HydrophobicContact CB-CD1 4.08Å; K276-I281 HydrophobicContact CB-CG1 3.8Å; T277-I281 WeakPolarHBondContact O-CG1 3.48Å; T277-I281 PolarHBondContact O-N 3.3Å; P278-I281 PolarHBondContact O-N 3.19Å; D279-I281 VanDerWaalsContact C-N 3.33Å; D279-I281 PolarHBondContact O-N 3.24Å; I281-E283 VanDerWaalsContact C-N 3.28Å; I281-E283 PolarHBondContact O-N 3.3Å; I281-W284 WeakPolarHBondContact O-CB 3.48Å; I281-W284 PolarHBondContact O-N 3.01Å; I281-F285 HydrophobicContact CG2-CD2 4.26Å; I281-F285 HydrophobicContact CG2-CE2 3.85Å; I281-F285 WeakPolarHBondContact O-CD2 3.23Å
282Y85.8Confident74.2Confident126 Ų12688.9 Ų88.949%0.49446%0.462SS..Hα-helixtrans-56.8-42176.9175.8-97.6000111.2Y218 P278 D279 W284 F285 G286Y218-Y282 HydrophobicContact CE1-CD2 4.25Å; Y218-Y282 WeakPolarHBondContact OH-CD2 3.29Å; P278-Y282 WeakPolarHBondContact O-CB 3.37Å; P278-Y282 PolarHBondContact O-N 3.23Å; D279-Y282 WeakPolarHBondContact O-CB 3.37Å; D279-Y282 PolarHBondContact O-N 2.98Å; Y282-W284 PolarHBondContact O-N 2.77Å; Y282-W284 VanDerWaalsContact O-N 3.11Å; Y282-F285 CarbonylContact O-C 3.48Å; Y282-F285 PolarHBondContact O-N 2.92Å; Y282-G286 WeakPolarHBondContact O-CA 3.39Å; Y282-G286 PolarHBondContact O-N 3.23Å
283E88.2Confident73.2Confident152 Ų15290.7 Ų90.771%0.7147%0.471SS*.Hα-helixtrans-56.7-27.4176.8-73.9-173.8171.500113.5D279 E280 I281 F285D279-E283 WeakPolarHBondContact O-CG 3.45Å; D279-E283 PolarHBondContact O-N 3.33Å; E280-E283 PolarHBondContact O-N 2.76Å; I281-E283 VanDerWaalsContact C-N 3.28Å; I281-E283 PolarHBondContact O-N 3.3Å; E283-F285 VanDerWaalsContact C-N 3.27Å; E283-F285 PolarHBondContact O-N 2.82Å
284W89.8Confident72.1Confident121 Ų12194.3 Ų94.346%0.45849%0.491SS..Hα-helixtrans-73.1-23.6178.3-55-4.8000112.7I220 L272 K276 E280 I281 Y282I220-W284 HydrophobicContact CD1-CE3 3.96Å; I220-W284 HydrophobicContact CD1-CH2 3.8Å; I220-W284 HydrophobicContact CD1-CZ3 3.2Å; I220-W284 HydrophobicContact CG1-CE3 4.46Å; I220-W284 HydrophobicContact CG1-CZ3 3.91Å; L272-W284 HydrophobicContact CD1-CH2 4.03Å; L272-W284 HydrophobicContact CD2-CH2 3.79Å; L272-W284 HydrophobicContact CD2-CZ3 4.02Å; L272-W284 HydrophobicContact CG-CH2 3.97Å; K276-W284 HydrophobicContact CD-CZ2 4.11Å; K276-W284 HydrophobicContact CG-CH2 4.04Å; K276-W284 HydrophobicContact CG-CZ2 4.02Å; E280-W284 PolarHBondContact O-NE1 3.34Å; I281-W284 WeakPolarHBondContact O-CB 3.48Å; I281-W284 PolarHBondContact O-N 3.01Å; Y282-W284 PolarHBondContact O-N 2.77Å; Y282-W284 VanDerWaalsContact O-N 3.11Å
285F83.9Confident71Confident97 Ų9798.6 Ų98.643%0.42551%0.511SS..Hα-helixtrans-114.6-10-177.9-53.6-76.6000113Y218 L219 I281 Y282 E283Y218-F285 AromaticContact CD1-CD2 3.57Å; Y218-F285 HydrophobicContact CD1-CD2 3.57Å; Y218-F285 HydrophobicContact CD1-CE2 4.05Å; Y218-F285 HydrophobicContact CD1-CG 4.36Å; Y218-F285 HydrophobicContact CE1-CD2 4.27Å; Y218-F285 HydrophobicContact CG-CD2 4.36Å; Y218-F285 HydrophobicContact CG-CE2 4.41Å; L219-F285 HydrophobicContact CB-CE1 3.82Å; L219-F285 HydrophobicContact CB-CZ 3.62Å; L219-F285 HydrophobicContact CD2-CE1 4.41Å; I281-F285 HydrophobicContact CG2-CD2 4.26Å; I281-F285 HydrophobicContact CG2-CE2 3.85Å; I281-F285 WeakPolarHBondContact O-CD2 3.23Å; Y282-F285 CarbonylContact O-C 3.48Å; Y282-F285 PolarHBondContact O-N 2.92Å; E283-F285 VanDerWaalsContact C-N 3.27Å; E283-F285 PolarHBondContact O-N 2.82Å
286G70Confident69.9Low23 Ų2399.3 Ų99.324%0.23752%0.517CS..SBendtrans-60.1134.4179.900000112.3Y282 Y288Y282-G286 WeakPolarHBondContact O-CA 3.39Å; Y282-G286 PolarHBondContact O-N 3.23Å; G286-Y288 PolarHBondContact O-N 2.62Å; G286-Y288 VanDerWaalsContact O-N 3.11Å
287S56.6Low68.7Low101 Ų101101.7 Ų101.771%0.70653%0.533SS*.  trans-10.191.2-172.955.40000117.6E289S287-E289 PolarHBondContact O-N 3.09Å
288Y48.2Very low67.8Low212 Ų212107.3 Ų107.383%0.83156%0.561SS**  trans-64.473.2138.1-102.9-92.6000109G286 G290G286-Y288 PolarHBondContact O-N 2.62Å; G286-Y288 VanDerWaalsContact O-N 3.11Å; Y288-G290 WeakPolarHBondContact CD1-O 3.37Å; Y288-G290 PolarHBondContact O-N 3.17Å; Y288-G290 VanDerWaalsContact O-N 3.07Å
289E46.7Very low67Low194 Ų194112.1 Ų112.191%0.90758%0.583SS**  trans-76.669.6152.1-79.5-163.6165.800107.6S287S287-E289 PolarHBondContact O-N 3.09Å
290G38.5Very low65.9Low44 Ų44112.2 Ų112.245%0.45458%0.582SS.*SBendtrans-173.869.6-169.700000113.2Y288Y288-G290 WeakPolarHBondContact CD1-O 3.37Å; Y288-G290 PolarHBondContact O-N 3.17Å; Y288-G290 VanDerWaalsContact O-N 3.07Å
291G35.4Very low64.3Low73 Ų73116.3 Ų116.375%0.75361%0.606SS**  trans14.5121.3164.300000120.4
292I41.3Very low62.2Low243 Ų243126 Ų126100%1.24666%0.657SS**  -132.20126.4-54.8-177.9000107.4

Retrieved 292 of 292 residues in 1063.1 ms (Link to these results)

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