A0A060XPF3_ONCMY Loading...

Transmembrane protein 177

Plays a role in the early steps of cytochrome c oxidase subunit II (MT-CO2/COX2) maturation and is required for the stabilization of COX20 and the newly synthesized MT-CO2/COX2 protein.

AlphaFold DB , UniProt , Accession A0A060XPF3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 310 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
1M54Low70.1Confident238 Ų238111.6 Ų111.6100%1.17259%0.589SS**  0121.40-73.2-176.3-91.900108.5S3M1-S3 PolarHBondContact O-N 3.06Å
2A55.5Low70.4Confident51 Ų51106.6 Ų106.642%0.42157%0.565SS.*  trans-58.4133.8176.300000109.9L6 K7A2-L6 HydrophobicContact CB-CD2 4.22Å; A2-K7 HydrophobicContact CB-CG 4.22Å
3S79.4Confident70.5Confident63 Ų63110.2 Ų110.244%0.44158%0.577SS.*  trans-57.8146.4179.168.90000110M1 F5 L6 K7M1-S3 PolarHBondContact O-N 3.06Å; S3-F5 PolarHBondContact O-N 2.7Å; S3-F5 VanDerWaalsContact O-N 3.09Å; S3-L6 PolarHBondContact O-N 3.27Å; S3-L6 PolarHBondContact OG-N 3.05Å; S3-K7 PolarHBondContact O-N 3.28Å
4P74Confident71.2Confident111 Ų111113.5 Ų113.572%0.72158%0.584SS**Hα-helixtrans-51.5-35177.8-26.433.7000112.7K7 Y8P4-K7 PolarHBondContact O-N 3.33Å; P4-Y8 PolarHBondContact O-N 2.91Å
5F71.8Confident71.9Confident163 Ų163113.9 Ų113.972%0.71558%0.576SS**Hα-helixtrans-61.7-43.2175.6-175.2-96.2000113.2S3 Y8 A9S3-F5 PolarHBondContact O-N 2.7Å; S3-F5 VanDerWaalsContact O-N 3.09Å; F5-Y8 PolarHBondContact O-N 2.83Å; F5-A9 WeakPolarHBondContact O-CB 3.44Å; F5-A9 PolarHBondContact O-N 3.15Å
6L70.9Confident72.5Confident96 Ų96112.3 Ų112.350%0.50356%0.561SS.*Hα-helixtrans-68.2-38.5179.8-165.771.7000111.4A2 S3 Y8 A9 V10A2-L6 HydrophobicContact CB-CD2 4.22Å; S3-L6 PolarHBondContact O-N 3.27Å; S3-L6 PolarHBondContact OG-N 3.05Å; L6-Y8 VanDerWaalsContact C-N 3.35Å; L6-A9 PolarHBondContact O-N 3.26Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3.17Å
7K73.9Confident73.2Confident136 Ų136111.1 Ų111.159%0.59156%0.561SS**Hα-helixtrans-62-43.4174.3-65.5-179.1-179.5-179.50111.3A2 S3 P4 M11A2-K7 HydrophobicContact CB-CG 4.22Å; S3-K7 PolarHBondContact O-N 3.28Å; P4-K7 PolarHBondContact O-N 3.33Å; K7-M11 WeakPolarHBondContact O-CB 3.43Å; K7-M11 PolarHBondContact O-N 2.92Å
8Y73.4Confident74.2Confident147 Ų147108.9 Ų108.958%0.57656%0.557SS**Hα-helixtrans-64.7-44.8176.3-173-95.7000112.2P4 F5 L6 V10 M11 V12P4-Y8 PolarHBondContact O-N 2.91Å; F5-Y8 PolarHBondContact O-N 2.83Å; L6-Y8 VanDerWaalsContact C-N 3.35Å; Y8-V10 PolarHBondContact O-N 3.22Å; Y8-M11 HydrophobicContact CD2-CE 3.75Å; Y8-M11 HydrophobicContact CE2-CE 3.89Å; Y8-M11 WeakPolarHBondContact O-CB 3.4Å; Y8-M11 PolarHBondContact O-N 2.81Å; Y8-V12 HydrophobicContact CD1-CG2 3.96Å; Y8-V12 HydrophobicContact CE1-CG2 3.59Å; Y8-V12 HydrophobicContact CE2-CG2 4.46Å; Y8-V12 WeakPolarHBondContact O-CG2 3.36Å; Y8-V12 PolarHBondContact O-N 3.19Å
9A71.1Confident74.9Confident40 Ų40108.6 Ų108.633%0.33156%0.556SS.*Hα-helixtrans-61.6-43.5178.400000112.6F5 L6 M11 V12 Q13F5-A9 WeakPolarHBondContact O-CB 3.44Å; F5-A9 PolarHBondContact O-N 3.15Å; L6-A9 PolarHBondContact O-N 3.26Å; A9-M11 VanDerWaalsContact C-N 3.34Å; A9-V12 PolarHBondContact O-N 3.32Å; A9-Q13 WeakPolarHBondContact O-CB 3.38Å; A9-Q13 PolarHBondContact O-N 3.45Å
10V71.8Confident75.7Confident89 Ų89104.9 Ų104.954%0.53954%0.536SS..Hα-helixtrans-64.7-39.7176172.10000111.1L6 Y8 Q13 K14L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3.17Å; Y8-V10 PolarHBondContact O-N 3.22Å; V10-Q13 PolarHBondContact O-N 3.31Å; V10-K14 WeakPolarHBondContact O-CB 3.3Å; V10-K14 PolarHBondContact O-N 3.48Å
11M75.2Confident76.5Confident94 Ų94104.6 Ų104.646%0.46354%0.535SS..Hα-helixtrans-62.4-49.1174.7-174.7-178.174.200111.7K7 Y8 A9 Q13 K14 Y15K7-M11 WeakPolarHBondContact O-CB 3.43Å; K7-M11 PolarHBondContact O-N 2.92Å; Y8-M11 HydrophobicContact CD2-CE 3.75Å; Y8-M11 HydrophobicContact CE2-CE 3.89Å; Y8-M11 WeakPolarHBondContact O-CB 3.4Å; Y8-M11 PolarHBondContact O-N 2.81Å; A9-M11 VanDerWaalsContact C-N 3.34Å; M11-Q13 VanDerWaalsContact C-N 3.29Å; M11-Q13 PolarHBondContact O-N 2.91Å; M11-K14 PolarHBondContact O-N 3.34Å; M11-Y15 HydrophobicContact CG-CD2 3.79Å; M11-Y15 HydrophobicContact CG-CE2 4.12Å; M11-Y15 VanDerWaalsContact O-CD2 3.25Å; M11-Y15 WeakPolarHBondContact O-CD2 3.44Å; M11-Y15 PolarHBondContact O-N 2.92Å
12V73.4Confident78.4Confident51 Ų5196.2 Ų96.231%0.30950%0.504SS..Hα-helixtrans-61.4-38.6178171.30000111.4Y8 A9 R16 L19Y8-V12 HydrophobicContact CD1-CG2 3.96Å; Y8-V12 HydrophobicContact CE1-CG2 3.59Å; Y8-V12 HydrophobicContact CE2-CG2 4.46Å; Y8-V12 WeakPolarHBondContact O-CG2 3.36Å; Y8-V12 PolarHBondContact O-N 3.19Å; A9-V12 PolarHBondContact O-N 3.32Å; V12-R16 WeakPolarHBondContact O-CA 3.4Å; V12-R16 PolarHBondContact O-N 3.38Å; V12-L19 HydrophobicContact CG1-CD2 4.49Å
13Q72.6Confident80.2Confident154 Ų15495.1 Ų95.172%0.7250%0.497SS*.Hα-helixtrans-67.9-40.1176.8-170.7171-10.300112.1A9 V10 M11A9-Q13 WeakPolarHBondContact O-CB 3.38Å; A9-Q13 PolarHBondContact O-N 3.45Å; V10-Q13 PolarHBondContact O-N 3.31Å; M11-Q13 VanDerWaalsContact C-N 3.29Å; M11-Q13 PolarHBondContact O-N 2.91Å
14K79.3Confident81Confident156 Ų15693.1 Ų93.168%0.67848%0.483SS*.Hα-helixtrans-66.9-38.5176.8-173.6179.5-180-175.20112.6V10 M11V10-K14 WeakPolarHBondContact O-CB 3.3Å; V10-K14 PolarHBondContact O-N 3.48Å; M11-K14 PolarHBondContact O-N 3.34Å
15Y82.8Confident82Confident119 Ų11991.2 Ų91.247%0.46747%0.473SS..THydrogen-bonded Turntrans-104.422-176-64.3-74.3000113.7M11 T17 P18 L19M11-Y15 HydrophobicContact CG-CD2 3.79Å; M11-Y15 HydrophobicContact CG-CE2 4.12Å; M11-Y15 VanDerWaalsContact O-CD2 3.25Å; M11-Y15 WeakPolarHBondContact O-CD2 3.44Å; M11-Y15 PolarHBondContact O-N 2.92Å; Y15-T17 PolarHBondContact O-N 3.47Å; Y15-P18 HydrophobicContact CD1-CG 4.43Å; Y15-P18 WeakPolarHBondContact O-CD 3.02Å; Y15-L19 VanDerWaalsContact O-CB 3.22Å; Y15-L19 WeakPolarHBondContact O-CB 3.29Å; Y15-L19 PolarHBondContact O-N 3.34Å
16R80.7Confident83.2Confident88 Ų8885.4 Ų85.433%0.33246%0.459SS..Hα-helixtrans-56.2-48-175.7-175.9-178.8174.9-167.6-2.6113.4V12 L19 L20 M184V12-R16 WeakPolarHBondContact O-CA 3.4Å; V12-R16 PolarHBondContact O-N 3.38Å; R16-L19 PolarHBondContact O-N 3.32Å; R16-L20 PolarHBondContact O-N 2.94Å; R16-M184 HydrophobicContact CG-CE 4.21Å; R16-M184 HydrophobicContact CG-SD 4.05Å; R16-M184 PolarHBondContact NH2-O 3.47Å
17T85.4Confident84.3Confident92 Ų9283.4 Ų83.456%0.56445%0.45SS*.Hα-helixtrans-69.7-48.2-178.7-52.20000112Y15 L19 L20 I21Y15-T17 PolarHBondContact O-N 3.47Å; T17-L19 VanDerWaalsContact C-N 3.27Å; T17-L19 PolarHBondContact O-N 2.89Å; T17-L20 WeakPolarHBondContact O-CB 3.49Å; T17-L20 PolarHBondContact O-N 3.18Å; T17-L20 VanDerWaalsContact O-N 3.16Å; T17-I21 HydrophobicContact CG2-CD1 4.07Å; T17-I21 WeakPolarHBondContact O-CG1 3.33Å; T17-I21 PolarHBondContact O-N 3.28Å
18P89.9Confident85.4Confident73 Ų7380.3 Ų80.347%0.47444%0.437SS..Hα-helixtrans-55.3-39.7171.1-28.335.2000113.7Y15 I21 A22Y15-P18 HydrophobicContact CD1-CG 4.43Å; Y15-P18 WeakPolarHBondContact O-CD 3.02Å; P18-I21 PolarHBondContact O-N 3.37Å; P18-A22 VanDerWaalsContact O-CB 3.31Å; P18-A22 WeakPolarHBondContact O-CB 3.34Å; P18-A22 PolarHBondContact O-N 3.34Å
19L88.8Confident86.5Confident103 Ų10375.8 Ų75.854%0.53943%0.43SS..Hα-helixtrans-66.7-38.8177.8-172.568.7000111.9V12 Y15 R16 T17 G23V12-L19 HydrophobicContact CG1-CD2 4.49Å; Y15-L19 VanDerWaalsContact O-CB 3.22Å; Y15-L19 WeakPolarHBondContact O-CB 3.29Å; Y15-L19 PolarHBondContact O-N 3.34Å; R16-L19 PolarHBondContact O-N 3.32Å; T17-L19 VanDerWaalsContact C-N 3.27Å; T17-L19 PolarHBondContact O-N 2.89Å; L19-G23 PolarHBondContact O-N 3.05Å
20L89.9Confident87.6Confident33 Ų3377.2 Ų77.217%0.17344%0.441CS..Hα-helixtrans-60.6-50.4172.3-178.856.9000110.7R16 T17 A22 G23 C24 L180 A181 M184R16-L20 PolarHBondContact O-N 2.94Å; T17-L20 WeakPolarHBondContact O-CB 3.49Å; T17-L20 PolarHBondContact O-N 3.18Å; T17-L20 VanDerWaalsContact O-N 3.16Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 2.83Å; L20-G23 PolarHBondContact O-N 3.24Å; L20-C24 VanDerWaalsContact CD1-SG 3.55Å; L20-C24 WeakPolarHBondContact O-CB 3.33Å; L20-C24 PolarHBondContact O-N 3.04Å; L20-C24 PolarHBondContact O-SG 2.81Å; L20-L180 HydrophobicContact CD1-CD2 4.42Å; L20-L180 HydrophobicContact CD1-CG 4.03Å; L20-A181 HydrophobicContact CD2-CB 4.49Å; L20-M184 HydrophobicContact CB-CE 3.38Å; L20-M184 HydrophobicContact CB-SD 3.89Å; L20-M184 HydrophobicContact CD1-CE 3.67Å; L20-M184 HydrophobicContact CD1-CG 4.1Å; L20-M184 HydrophobicContact CD1-SD 4.15Å; L20-M184 HydrophobicContact CD2-CE 4.14Å; L20-M184 HydrophobicContact CD2-CG 4.06Å; L20-M184 HydrophobicContact CD2-SD 3.64Å; L20-M184 HydrophobicContact CG-CE 3.85Å; L20-M184 HydrophobicContact CG-SD 4.06Å
21I93Very high88.7Confident100 Ų10075.5 Ų75.551%0.51343%0.428SS..Hα-helixtrans-60.3-47.8-177.8-67.4168.1000109.4T17 P18 G23 C24 S25T17-I21 HydrophobicContact CG2-CD1 4.07Å; T17-I21 WeakPolarHBondContact O-CG1 3.33Å; T17-I21 PolarHBondContact O-N 3.28Å; P18-I21 PolarHBondContact O-N 3.37Å; I21-G23 VanDerWaalsContact C-N 3.33Å; I21-G23 PolarHBondContact O-N 3.26Å; I21-C24 PolarHBondContact O-N 3.04Å; I21-S25 VanDerWaalsContact O-CB 3.28Å; I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.42Å; I21-S25 PolarHBondContact O-OG 3.12Å
22A94.3Very high89.6Confident62 Ų6271.3 Ų71.351%0.51241%0.407SS..Hα-helixtrans-59.6-43.2176.500000112P18 L20 G26P18-A22 VanDerWaalsContact O-CB 3.31Å; P18-A22 WeakPolarHBondContact O-CB 3.34Å; P18-A22 PolarHBondContact O-N 3.34Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 2.83Å; A22-G26 PolarHBondContact O-N 2.97Å
23G93.1Very high90.6Very high27 Ų2774.5 Ų74.528%0.27842%0.417SS..Hα-helixtrans-64.3-48.9176.900000113L19 L20 I21 G26 V27L19-G23 PolarHBondContact O-N 3.05Å; L20-G23 PolarHBondContact O-N 3.24Å; I21-G23 VanDerWaalsContact C-N 3.33Å; I21-G23 PolarHBondContact O-N 3.26Å; G23-G26 PolarHBondContact O-N 3.14Å; G23-V27 VanDerWaalsContact O-CG2 3.3Å; G23-V27 WeakPolarHBondContact O-CG2 3.45Å; G23-V27 PolarHBondContact O-N 3.39Å
24C95.4Very high91.5Very high22 Ų2272.1 Ų72.115%0.14940%0.402CS..Hα-helixtrans-60.2-49.1176.9-76.50000111.6L20 I21 G26 V27 F28 P177L20-C24 VanDerWaalsContact CD1-SG 3.55Å; L20-C24 WeakPolarHBondContact O-CB 3.33Å; L20-C24 PolarHBondContact O-N 3.04Å; L20-C24 PolarHBondContact O-SG 2.81Å; I21-C24 PolarHBondContact O-N 3.04Å; C24-G26 VanDerWaalsContact C-N 3.34Å; C24-G26 PolarHBondContact O-N 3.49Å; C24-V27 PolarHBondContact O-N 3.39Å; C24-F28 WeakPolarHBondContact O-CB 3.34Å; C24-F28 PolarHBondContact O-N 2.9Å; C24-P177 HydrophobicContact CB-CB 3.97Å; C24-P177 PolarHBondContact SG-O 3.02Å
25S95.8Very high92.2Very high71 Ų7165 Ų6550%0.49737%0.372SS..Hα-helixtrans-62.4-41.5177.5-63.90000111.7I21 F28 A29I21-S25 VanDerWaalsContact O-CB 3.28Å; I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.42Å; I21-S25 PolarHBondContact O-OG 3.12Å; S25-F28 PolarHBondContact O-N 2.73Å; S25-A29 VanDerWaalsContact O-CB 3.23Å; S25-A29 WeakPolarHBondContact O-CB 3.43Å; S25-A29 PolarHBondContact O-N 3.28Å
26G96.4Very high92.7Very high41 Ų4162.4 Ų62.442%0.42337%0.365SS..Hα-helixtrans-63.9-46.4178.100000112.7A22 G23 C24 A29 A30A22-G26 PolarHBondContact O-N 2.97Å; G23-G26 PolarHBondContact O-N 3.14Å; C24-G26 VanDerWaalsContact C-N 3.34Å; C24-G26 PolarHBondContact O-N 3.49Å; G26-A29 PolarHBondContact O-N 3.46Å; G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.87Å
27V95.3Very high93.4Very high53 Ų5363.3 Ų63.332%0.32137%0.372SS..Hα-helixtrans-65.5-42.9177.7174.10000111.2G23 C24 A30 Q31 A176G23-V27 VanDerWaalsContact O-CG2 3.3Å; G23-V27 WeakPolarHBondContact O-CG2 3.45Å; G23-V27 PolarHBondContact O-N 3.39Å; C24-V27 PolarHBondContact O-N 3.39Å; V27-A30 PolarHBondContact O-N 3.03Å; V27-Q31 WeakPolarHBondContact O-CG 3.37Å; V27-Q31 PolarHBondContact O-N 2.84Å; V27-A176 HydrophobicContact CG1-CB 3.51Å
28F96.8Very high93.8Very high71 Ų7159 Ų5931%0.31135%0.345SS..Hα-helixtrans-59.8-49.2175.5-175.6-98.5000111.4C24 S25 A30 Q31 M32 V170 A173 A174 P177C24-F28 WeakPolarHBondContact O-CB 3.34Å; C24-F28 PolarHBondContact O-N 2.9Å; S25-F28 PolarHBondContact O-N 2.73Å; F28-A30 VanDerWaalsContact C-N 3.33Å; F28-A30 PolarHBondContact O-N 3.06Å; F28-Q31 PolarHBondContact O-N 2.86Å; F28-M32 HydrophobicContact CD1-CG 4.06Å; F28-M32 HydrophobicContact CD2-CG 4.49Å; F28-M32 HydrophobicContact CE1-CG 3.6Å; F28-M32 HydrophobicContact CE2-CG 4.07Å; F28-M32 HydrophobicContact CG-CG 4.48Å; F28-M32 HydrophobicContact CZ-CG 3.61Å; F28-M32 HydrophobicContact CZ-SD 4.32Å; F28-M32 WeakPolarHBondContact O-CB 3.31Å; F28-M32 WeakPolarHBondContact O-CG 3.47Å; F28-M32 PolarHBondContact O-N 3.03Å; F28-V170 HydrophobicContact CE2-CG1 4.47Å; F28-V170 HydrophobicContact CZ-CG1 4.26Å; F28-A173 HydrophobicContact CD2-CB 3.93Å; F28-A173 WeakPolarHBondContact CD2-O 3.39Å; F28-A173 HydrophobicContact CE2-CB 3.78Å; F28-A174 HydrophobicContact CE2-CB 4.39Å; F28-P177 HydrophobicContact CB-CG 3.72Å; F28-P177 HydrophobicContact CD2-CG 4.23Å; F28-P177 HydrophobicContact CG-CG 4.47Å
29A96.1Very high93.8Very high52 Ų5259.4 Ų59.443%0.4334%0.341SS..Hα-helixtrans-60.7-42.1179.200000111.8S25 G26 Q31 M32 F33S25-A29 VanDerWaalsContact O-CB 3.23Å; S25-A29 WeakPolarHBondContact O-CB 3.43Å; S25-A29 PolarHBondContact O-N 3.28Å; G26-A29 PolarHBondContact O-N 3.46Å; A29-Q31 VanDerWaalsContact C-N 3.35Å; A29-Q31 PolarHBondContact O-N 2.64Å; A29-M32 PolarHBondContact O-N 3.07Å; A29-F33 PolarHBondContact O-N 2.85Å
30A94.8Very high93.9Very high70 Ų7059.3 Ų59.358%0.57934%0.341SS*.Hα-helixtrans-61-42.117600000112.2G26 V27 F28G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.87Å; V27-A30 PolarHBondContact O-N 3.03Å; F28-A30 VanDerWaalsContact C-N 3.33Å; F28-A30 PolarHBondContact O-N 3.06Å
31Q93.6Very high94Very high54 Ų5459.5 Ų59.525%0.25234%0.344SS..Hα-helixtrans-73.6-30178.1-69.9-175.3-9.900113V27 F28 A29 Y34 A173V27-Q31 WeakPolarHBondContact O-CG 3.37Å; V27-Q31 PolarHBondContact O-N 2.84Å; F28-Q31 PolarHBondContact O-N 2.86Å; A29-Q31 VanDerWaalsContact C-N 3.35Å; A29-Q31 PolarHBondContact O-N 2.64Å; Q31-Y34 WeakPolarHBondContact O-CE1 3.28Å; Q31-A173 HydrophobicContact CB-CB 3.82Å; Q31-A173 VanDerWaalsContact OE1-CA 3.22Å; Q31-A173 PolarHBondContact OE1-O 3.27Å; Q31-A173 VanDerWaalsContact OE1-O 3.04Å
32M95.3Very high93.8Very high6 Ų656 Ų563%0.0332%0.324CS..Hα-helixtrans-83.1-14.3176.9-76-57.3-61.300113.9F28 A29 Y34 H35 L36 V95 V170 A173F28-M32 HydrophobicContact CD1-CG 4.06Å; F28-M32 HydrophobicContact CD2-CG 4.49Å; F28-M32 HydrophobicContact CE1-CG 3.6Å; F28-M32 HydrophobicContact CE2-CG 4.07Å; F28-M32 HydrophobicContact CG-CG 4.48Å; F28-M32 HydrophobicContact CZ-CG 3.61Å; F28-M32 HydrophobicContact CZ-SD 4.32Å; F28-M32 WeakPolarHBondContact O-CB 3.31Å; F28-M32 WeakPolarHBondContact O-CG 3.47Å; F28-M32 PolarHBondContact O-N 3.03Å; A29-M32 PolarHBondContact O-N 3.07Å; M32-Y34 PolarHBondContact O-N 2.89Å; M32-H35 HydrophobicContact CE-CB 3.85Å; M32-H35 CarbonylContact O-C 3.44Å; M32-H35 WeakPolarHBondContact O-CA 3.29Å; M32-H35 WeakPolarHBondContact O-CB 3.49Å; M32-H35 PolarHBondContact O-N 2.84Å; M32-H35 HydrophobicContact SD-CB 4.46Å; M32-L36 HydrophobicContact CB-CD1 4.22Å; M32-L36 HydrophobicContact CB-CG 4.25Å; M32-L36 WeakPolarHBondContact O-CG 3.41Å; M32-L36 PolarHBondContact O-N 3.19Å; M32-V95 HydrophobicContact CE-CG2 3.82Å; M32-V170 HydrophobicContact CE-CG2 3.88Å; M32-V170 HydrophobicContact SD-CG2 4.22Å; M32-A173 HydrophobicContact CG-CB 3.6Å; M32-A173 HydrophobicContact SD-CB 3.49Å; M32-A173 WeakPolarHBondContact SD-CB 3.24Å
33F93.6Very high93.7Very high118 Ų11856.6 Ų56.652%0.51831%0.313SS..Hα-helixtrans-51.1-49.6-169.3-179.9-103.6000113.8A29 H35 L36 F37 T41A29-F33 PolarHBondContact O-N 2.85Å; F33-H35 PolarHBondContact O-N 3.25Å; F33-L36 PolarHBondContact O-N 3.08Å; F33-F37 HydrophobicContact CD2-CD2 4.44Å; F33-F37 HydrophobicContact CE2-CD2 4.25Å; F33-F37 HydrophobicContact CE2-CE2 4.42Å; F33-F37 PolarHBondContact O-N 3.46Å; F33-T41 HydrophobicContact CD1-CG2 4.31Å; F33-T41 HydrophobicContact CE1-CG2 3.82Å
34Y90.8Very high93.5Very high103 Ų10362 Ų6240%0.40433%0.329SS..Hα-helixtrans-75.8-12-179.663.7-84.3000113.8Q31 M32 P38 T41 Y42Q31-Y34 WeakPolarHBondContact O-CE1 3.28Å; M32-Y34 PolarHBondContact O-N 2.89Å; Y34-P38 WeakPolarHBondContact O-CA 3.27Å; Y34-T41 VanDerWaalsContact CA-OG1 3.27Å; Y34-T41 WeakPolarHBondContact CA-OG1 3.44Å; Y34-T41 PolarHBondContact O-OG1 3.44Å; Y34-Y42 HydrophobicContact CD2-CD2 4.39Å
35H94.5Very high93.3Very high8 Ų866.2 Ų66.24%0.03735%0.349CS..Hα-helixtrans-93.3-21.2172.7-64.9-57.7000112.7M32 F33 A93 G94 P169M32-H35 HydrophobicContact CE-CB 3.85Å; M32-H35 CarbonylContact O-C 3.44Å; M32-H35 WeakPolarHBondContact O-CA 3.29Å; M32-H35 WeakPolarHBondContact O-CB 3.49Å; M32-H35 PolarHBondContact O-N 2.84Å; M32-H35 HydrophobicContact SD-CB 4.46Å; F33-H35 PolarHBondContact O-N 3.25Å; H35-A93 WeakPolarHBondContact ND1-CB 3.36Å; H35-G94 PolarHBondContact ND1-N 3.18Å; H35-G94 WeakPolarHBondContact O-CA 3.42Å; H35-P169 HydrophobicContact CB-CB 4.21Å
36L94.1Very high93Very high64 Ų6466.1 Ų66.134%0.33534%0.339SS..Hα-helixtrans-78.4-29173.2-68.1172.9000111.7M32 F33 P38 L98 S100M32-L36 HydrophobicContact CB-CD1 4.22Å; M32-L36 HydrophobicContact CB-CG 4.25Å; M32-L36 WeakPolarHBondContact O-CG 3.41Å; M32-L36 PolarHBondContact O-N 3.19Å; F33-L36 PolarHBondContact O-N 3.08Å; L36-P38 VanDerWaalsContact C-CD 3.48Å; L36-L98 HydrophobicContact CD2-CD1 3.67Å; L36-S100 WeakPolarHBondContact O-CB 3.41Å; L36-S100 PolarHBondContact O-OG 3.05Å
37F93.9Very high92.8Very high107 Ų10764.6 Ų64.647%0.46932%0.321SS..SBendtrans-130.959-179.3-50.9-75.1000111.8F33 E39 N40 T41F33-F37 HydrophobicContact CD2-CD2 4.44Å; F33-F37 HydrophobicContact CE2-CD2 4.25Å; F33-F37 HydrophobicContact CE2-CE2 4.42Å; F33-F37 PolarHBondContact O-N 3.46Å; F37-E39 VanDerWaalsContact C-N 3.28Å; F37-E39 PolarHBondContact O-N 3.42Å; F37-N40 HydrophobicContact CB-CB 4.46Å; F37-N40 PolarHBondContact O-N 3.13Å; F37-N40 VanDerWaalsContact O-N 3.15Å; F37-T41 PolarHBondContact O-N 3.49Å; F37-T41 VanDerWaalsContact O-N 3.15Å; F37-T41 PolarHBondContact O-OG1 3.35Å
38P93.6Very high92.5Very high1 Ų162.4 Ų62.41%0.00631%0.308CS..THydrogen-bonded Turntrans-60.1-36.3-172.624.7-33.8000112.6Y34 L36 N40 T41 Y42 R43 A93 Q103Y34-P38 WeakPolarHBondContact O-CA 3.27Å; L36-P38 VanDerWaalsContact C-CD 3.48Å; P38-N40 VanDerWaalsContact C-N 3.34Å; P38-N40 PolarHBondContact O-N 3.19Å; P38-T41 PolarHBondContact O-N 3.13Å; P38-Y42 WeakPolarHBondContact O-CA 3.47Å; P38-Y42 WeakPolarHBondContact O-CB 3.04Å; P38-Y42 PolarHBondContact O-N 3.34Å; P38-R43 PolarHBondContact O-N 3.36Å; P38-A93 HydrophobicContact CB-CB 4.34Å; P38-Q103 HydrophobicContact CB-CB 4.34Å; P38-Q103 HydrophobicContact CB-CG 3.9Å; P38-Q103 HydrophobicContact CG-CG 3.96Å
39E91.4Very high92.1Very high82 Ų8266.4 Ų66.438%0.38332%0.321SS..Iπ-helixtrans-59.8-42.4177.3-172.863.2-166.900112.8F37 R43 Q103F37-E39 VanDerWaalsContact C-N 3.28Å; F37-E39 PolarHBondContact O-N 3.42Å; E39-R43 VanDerWaalsContact CD-CD 3.5Å; E39-R43 VanDerWaalsContact CD-NH1 3.3Å; E39-R43 WeakPolarHBondContact OE1-CD 3.09Å; E39-R43 IonicContact OE1-CZ 3.55Å; E39-R43 IonicContact OE1-NE 3.16Å; E39-R43 IonicContact OE1-NH1 3.42Å; E39-R43 PolarHBondContact OE1-NH1 3.06Å; E39-R43 WeakPolarHBondContact OE2-CD 3.44Å; E39-R43 IonicContact OE2-CZ 3.7Å; E39-R43 IonicContact OE2-NE 2.85Å; E39-R43 IonicContact OE2-NH1 3.94Å; E39-R43 PolarHBondContact OE2-NH1 2.98Å; E39-Q103 PolarHBondContact OE2-NE2 3.34Å
40N91.4Very high91.4Very high101 Ų10169 Ų6954%0.5433%0.328SS..Iπ-helixtrans-86.9-14.6-174.3-74.5-46.9000113.5F37 P38 K44F37-N40 HydrophobicContact CB-CB 4.46Å; F37-N40 PolarHBondContact O-N 3.13Å; F37-N40 VanDerWaalsContact O-N 3.15Å; P38-N40 VanDerWaalsContact C-N 3.34Å; P38-N40 PolarHBondContact O-N 3.19Å; N40-K44 WeakPolarHBondContact O-CD 3.44Å
41T91Very high90.8Very high37 Ų3775.4 Ų75.423%0.22734%0.343CS..Iπ-helixtrans-120.6-71.9-17456.20000110.5F33 Y34 F37 P38 K44 L45F33-T41 HydrophobicContact CD1-CG2 4.31Å; F33-T41 HydrophobicContact CE1-CG2 3.82Å; Y34-T41 VanDerWaalsContact CA-OG1 3.27Å; Y34-T41 WeakPolarHBondContact CA-OG1 3.44Å; Y34-T41 PolarHBondContact O-OG1 3.44Å; F37-T41 PolarHBondContact O-N 3.49Å; F37-T41 VanDerWaalsContact O-N 3.15Å; F37-T41 PolarHBondContact O-OG1 3.35Å; P38-T41 PolarHBondContact O-N 3.13Å; T41-K44 PolarHBondContact O-N 3.13Å; T41-L45 PolarHBondContact O-N 3.09Å
42Y89.6Confident90.2Very high25 Ų2576 Ų7610%0.09836%0.362CS..Iπ-helixtrans-64-47-174.1-167.8-101.4000113.3Y34 P38 K44 L45 Y46 F83 V91 G92 A93Y34-Y42 HydrophobicContact CD2-CD2 4.39Å; P38-Y42 WeakPolarHBondContact O-CA 3.47Å; P38-Y42 WeakPolarHBondContact O-CB 3.04Å; P38-Y42 PolarHBondContact O-N 3.34Å; Y42-K44 PolarHBondContact O-N 3.13Å; Y42-L45 WeakPolarHBondContact O-CB 3.19Å; Y42-L45 PolarHBondContact O-N 3.11Å; Y42-Y46 HydrophobicContact CD1-CD2 4.16Å; Y42-Y46 AromaticContact CD2-CD2 3.85Å; Y42-Y46 HydrophobicContact CD2-CD2 3.85Å; Y42-Y46 AromaticContact CD2-CE2 3.81Å; Y42-Y46 HydrophobicContact CD2-CE2 3.81Å; Y42-Y46 AromaticContact CE1-CD2 3.92Å; Y42-Y46 HydrophobicContact CE1-CD2 3.92Å; Y42-Y46 HydrophobicContact CE1-CE2 4.42Å; Y42-Y46 AromaticContact CE2-CD2 3.6Å; Y42-Y46 HydrophobicContact CE2-CD2 3.6Å; Y42-Y46 AromaticContact CE2-CE2 3.31Å; Y42-Y46 HydrophobicContact CE2-CE2 3.31Å; Y42-Y46 HydrophobicContact CG-CD2 4.14Å; Y42-Y46 AromaticContact CZ-CD2 3.64Å; Y42-Y46 AromaticContact CZ-CE2 3.68Å; Y42-Y46 WeakPolarHBondContact O-CD2 3.38Å; Y42-Y46 PolarHBondContact O-N 2.84Å; Y42-F83 HydrophobicContact CD1-CE1 4.47Å; Y42-F83 HydrophobicContact CD1-CZ 4.31Å; Y42-F83 HydrophobicContact CE1-CZ 4.37Å; Y42-V91 HydrophobicContact CE1-CG2 4Å; Y42-V91 VanDerWaalsContact OH-C 3.3Å; Y42-V91 WeakPolarHBondContact OH-CB 3.49Å; Y42-V91 WeakPolarHBondContact OH-CG2 3.49Å; Y42-G92 PolarHBondContact OH-N 2.93Å; Y42-G92 PolarHBondContact OH-O 3.27Å; Y42-A93 HydrophobicContact CD1-CB 3.48Å; Y42-A93 VanDerWaalsContact CD1-CB 3.48Å; Y42-A93 HydrophobicContact CD2-CB 3.43Å; Y42-A93 VanDerWaalsContact CD2-CB 3.43Å; Y42-A93 HydrophobicContact CE1-CB 3.77Å; Y42-A93 HydrophobicContact CE2-CB 3.72Å; Y42-A93 HydrophobicContact CG-CB 3.27Å
43R91.3Very high89.8Confident76 Ų7682.4 Ų82.429%0.28739%0.393SS..Iπ-helixtrans-61.1-46.6178.8-172.6175.2179.5171.51.6111.4P38 E39 L45 Y46 Q47 F83P38-R43 PolarHBondContact O-N 3.36Å; E39-R43 VanDerWaalsContact CD-CD 3.5Å; E39-R43 VanDerWaalsContact CD-NH1 3.3Å; E39-R43 WeakPolarHBondContact OE1-CD 3.09Å; E39-R43 IonicContact OE1-CZ 3.55Å; E39-R43 IonicContact OE1-NE 3.16Å; E39-R43 IonicContact OE1-NH1 3.42Å; E39-R43 PolarHBondContact OE1-NH1 3.06Å; E39-R43 WeakPolarHBondContact OE2-CD 3.44Å; E39-R43 IonicContact OE2-CZ 3.7Å; E39-R43 IonicContact OE2-NE 2.85Å; E39-R43 IonicContact OE2-NH1 3.94Å; E39-R43 PolarHBondContact OE2-NH1 2.98Å; R43-L45 PolarHBondContact O-N 2.84Å; R43-Y46 CarbonylContact O-C 3.59Å; R43-Y46 PolarHBondContact O-N 3.33Å; R43-Y46 VanDerWaalsContact O-N 3.11Å; R43-Q47 WeakPolarHBondContact O-CA 3.46Å; R43-Q47 WeakPolarHBondContact O-CB 3.24Å; R43-Q47 PolarHBondContact O-N 3.48Å; R43-F83 HydrophobicContact CG-CD1 4.27Å; R43-F83 HydrophobicContact CG-CD2 3.97Å; R43-F83 HydrophobicContact CG-CE1 4.46Å; R43-F83 HydrophobicContact CG-CE2 4.19Å; R43-F83 HydrophobicContact CG-CG 4.03Å; R43-F83 HydrophobicContact CG-CZ 4.43Å
44K89.9Confident89.6Confident139 Ų13980.4 Ų80.460%0.60439%0.391SS*.Hα-helixtrans-58-34.9178-66.5-171.1-1751700112.8N40 T41 Y42N40-K44 WeakPolarHBondContact O-CD 3.44Å; T41-K44 PolarHBondContact O-N 3.13Å; Y42-K44 PolarHBondContact O-N 3.13Å
45L89.8Confident89.5Confident112 Ų11276.8 Ų76.859%0.58638%0.382SS*.Hα-helixtrans-70.5-43.6176.9-17662.6000111.8T41 Y42 R43 F86T41-L45 PolarHBondContact O-N 3.09Å; Y42-L45 WeakPolarHBondContact O-CB 3.19Å; Y42-L45 PolarHBondContact O-N 3.11Å; R43-L45 PolarHBondContact O-N 2.84Å; L45-F86 WeakPolarHBondContact O-CE1 3.46Å
46Y90.9Very high89.3Confident69 Ų6981.5 Ų81.527%0.27142%0.416SS..Hα-helixtrans-101.4-5.8-170.7-73.9-78.5000115.4Y42 R43 A48 S85 F86 V91Y42-Y46 HydrophobicContact CD1-CD2 4.16Å; Y42-Y46 AromaticContact CD2-CD2 3.85Å; Y42-Y46 HydrophobicContact CD2-CD2 3.85Å; Y42-Y46 AromaticContact CD2-CE2 3.81Å; Y42-Y46 HydrophobicContact CD2-CE2 3.81Å; Y42-Y46 AromaticContact CE1-CD2 3.92Å; Y42-Y46 HydrophobicContact CE1-CD2 3.92Å; Y42-Y46 HydrophobicContact CE1-CE2 4.42Å; Y42-Y46 AromaticContact CE2-CD2 3.6Å; Y42-Y46 HydrophobicContact CE2-CD2 3.6Å; Y42-Y46 AromaticContact CE2-CE2 3.31Å; Y42-Y46 HydrophobicContact CE2-CE2 3.31Å; Y42-Y46 HydrophobicContact CG-CD2 4.14Å; Y42-Y46 AromaticContact CZ-CD2 3.64Å; Y42-Y46 AromaticContact CZ-CE2 3.68Å; Y42-Y46 WeakPolarHBondContact O-CD2 3.38Å; Y42-Y46 PolarHBondContact O-N 2.84Å; R43-Y46 CarbonylContact O-C 3.59Å; R43-Y46 PolarHBondContact O-N 3.33Å; R43-Y46 VanDerWaalsContact O-N 3.11Å; Y46-A48 PolarHBondContact O-N 3.01Å; Y46-S85 CarbonylContact O-C 3.6Å; Y46-S85 WeakPolarHBondContact O-CA 3.43Å; Y46-S85 WeakPolarHBondContact O-CB 3.41Å; Y46-F86 HydrophobicContact CD1-CD1 4.41Å; Y46-F86 AromaticContact CD1-CE1 3.95Å; Y46-F86 HydrophobicContact CD1-CE1 3.95Å; Y46-F86 PolarHBondContact O-N 3.03Å; Y46-V91 HydrophobicContact CD1-CG2 3.91Å; Y46-V91 HydrophobicContact CD2-CG2 4.44Å; Y46-V91 HydrophobicContact CE1-CG1 4.41Å; Y46-V91 HydrophobicContact CE1-CG2 4.42Å; Y46-V91 HydrophobicContact CG-CG2 3.92Å
47Q92.1Very high89.1Confident9 Ų979.4 Ų79.44%0.04241%0.405CS..BIsolated β-bridgetrans-58.9131-176.6179.26460.700110.8R43 W49 P54 A55 A84R43-Q47 WeakPolarHBondContact O-CA 3.46Å; R43-Q47 WeakPolarHBondContact O-CB 3.24Å; R43-Q47 PolarHBondContact O-N 3.48Å; Q47-W49 HydrophobicContact CG-CZ2 4.39Å; Q47-W49 PolarHBondContact O-NE1 3.5Å; Q47-P54 HydrophobicContact CG-CB 3.94Å; Q47-A55 PolarHBondContact NE2-O 3.06Å; Q47-A84 PolarHBondContact NE2-O 3.12Å
48A88.8Confident89Confident7 Ų776 Ų766%0.05840%0.395CS..  trans-74.6142.4167.400000109.7Y46 A55 A84Y46-A48 PolarHBondContact O-N 3.01Å; A48-A55 HydrophobicContact CB-CB 4Å; A48-A55 WeakPolarHBondContact O-CB 3.44Å; A48-A55 PolarHBondContact O-N 2.91Å; A48-A84 HydrophobicContact CB-CB 4.2Å; A48-A84 WeakPolarHBondContact CB-O 3.47Å; A48-A84 PolarHBondContact N-O 3.18Å
49W87.1Confident89.1Confident155 Ų15584.1 Ų84.159%0.58743%0.433SS*.EExtended strand (participates in β ladder)trans-121.3141.5179.2-62.281.3000110Q47 E53 P54Q47-W49 HydrophobicContact CG-CZ2 4.39Å; Q47-W49 PolarHBondContact O-NE1 3.5Å; W49-E53 CarbonylContact C-O 3.55Å; W49-E53 VanDerWaalsContact CA-O 3.31Å; W49-E53 WeakPolarHBondContact CA-O 3.49Å; W49-E53 VanDerWaalsContact CE3-C 3.42Å; W49-P54 HydrophobicContact CE3-CG 4.22Å; W49-P54 HydrophobicContact CH2-CG 3.92Å; W49-P54 HydrophobicContact CZ3-CG 3.72Å
50N81.3Confident89.2Confident106 Ų10684.3 Ų84.357%0.56743%0.432SS*.EExtended strand (participates in β ladder)trans-133.2123.7173-173.313.9000108.4G52 E53 A55N50-G52 PolarHBondContact O-N 3.25Å; N50-G52 VanDerWaalsContact O-N 3.13Å; N50-E53 PolarHBondContact N-O 2.97Å; N50-E53 PolarHBondContact O-N 3.09Å; N50-A55 HydrophobicContact CB-CB 4.45Å
51K82.8Confident89.4Confident205 Ų20579.6 Ų79.689%0.89141%0.407SS*.THydrogen-bonded Turntrans50.635.8-179-61.7179.2179.2-179.30114.7E53K51-E53 VanDerWaalsContact C-N 3.33Å
52G82Confident89.7Confident65 Ų6581.7 Ų81.767%0.6741%0.414SS*.THydrogen-bonded Turntrans86.2-2.517800000115.1N50N50-G52 PolarHBondContact O-N 3.25Å; N50-G52 VanDerWaalsContact O-N 3.13Å
53E86.8Confident90Very high142 Ų14284.1 Ų84.166%0.66444%0.435SS*.EExtended strand (participates in β ladder)trans-111.7151.6176.9-65.1-171.6164.900112W49 N50 K51 A55W49-E53 CarbonylContact C-O 3.55Å; W49-E53 VanDerWaalsContact CA-O 3.31Å; W49-E53 WeakPolarHBondContact CA-O 3.49Å; W49-E53 VanDerWaalsContact CE3-C 3.42Å; N50-E53 PolarHBondContact N-O 2.97Å; N50-E53 PolarHBondContact O-N 3.09Å; K51-E53 VanDerWaalsContact C-N 3.33Å; E53-A55 PolarHBondContact O-N 3.31Å
54P88.3Confident90.3Very high76 Ų7681 Ų8149%0.49442%0.424SS..EExtended strand (participates in β ladder)trans-58.8122.6172.4-22.233.7000110.5Q47 W49 S56Q47-P54 HydrophobicContact CG-CB 3.94Å; W49-P54 HydrophobicContact CE3-CG 4.22Å; W49-P54 HydrophobicContact CH2-CG 3.92Å; W49-P54 HydrophobicContact CZ3-CG 3.72Å; P54-S56 PolarHBondContact O-N 2.93Å
55A88.3Confident90.7Very high26 Ų2675.1 Ų75.122%0.21540%0.398CS..PPolyproline II helixtrans-65.4133175.600000110.4Q47 A48 N50 E53 A84Q47-A55 PolarHBondContact NE2-O 3.06Å; A48-A55 HydrophobicContact CB-CB 4Å; A48-A55 WeakPolarHBondContact O-CB 3.44Å; A48-A55 PolarHBondContact O-N 2.91Å; N50-A55 HydrophobicContact CB-CB 4.45Å; E53-A55 PolarHBondContact O-N 3.31Å; A55-A84 HydrophobicContact CB-CB 4.19Å; A55-A84 WeakPolarHBondContact O-CB 3.46Å
56S90.1Very high91.1Very high107 Ų10776.3 Ų76.375%0.74840%0.399SS*.PPolyproline II helixtrans-76.1157169.453.20000111.1P54P54-S56 PolarHBondContact O-N 2.93Å
57L91.1Very high91.4Very high20 Ų2076.7 Ų76.711%0.10540%0.403CS..PPolyproline II helixtrans-70.6147164.9-78.6164000109.2L61 E62 A82 A84 I106L57-L61 HydrophobicContact CD2-CB 3.88Å; L57-L61 HydrophobicContact CD2-CD1 4.02Å; L57-E62 HydrophobicContact CB-CG 3.7Å; L57-E62 HydrophobicContact CD1-CG 4.4Å; L57-A82 HydrophobicContact CD1-CB 3.53Å; L57-A82 WeakPolarHBondContact CD1-O 3.15Å; L57-A84 HydrophobicContact CD2-CB 4.25Å; L57-A84 HydrophobicContact CG-CB 4.35Å; L57-I106 HydrophobicContact CD2-CB 3.99Å
58S92.4Very high91.7Very high35 Ų3576.3 Ų76.325%0.24540%0.401CS..PPolyproline II helixtrans-76.6155169.763.50000109.9K60 L61 E62 N111S58-K60 PolarHBondContact O-N 3.47Å; S58-K60 VanDerWaalsContact O-N 3.15Å; S58-L61 PolarHBondContact O-N 3.04Å; S58-L61 WeakPolarHBondContact OG-CG 3.39Å; S58-L61 PolarHBondContact OG-N 3.32Å; S58-E62 PolarHBondContact O-N 2.87Å; S58-N111 WeakPolarHBondContact CB-OD1 3.49Å; S58-N111 PolarHBondContact OG-OD1 2.81Å
59E94.6Very high92.1Very high172 Ų17276.6 Ų76.680%0.80440%0.402SS*.Hα-helixtrans-54.2-36.2175.5-63.9-179.4176.300112.4L61 E62 S63E59-L61 PolarHBondContact O-N 2.83Å; E59-E62 PolarHBondContact O-N 3.35Å; E59-S63 VanDerWaalsContact O-CB 3.23Å; E59-S63 WeakPolarHBondContact O-CB 3.39Å; E59-S63 PolarHBondContact O-N 2.54Å
60K94.4Very high92.6Very high87 Ų8777.4 Ų77.438%0.37841%0.409SS..Hα-helixtrans-56.4-49.9173.6177.5-170.9176.9-166.40111.7S58 L64 F110 N111S58-K60 PolarHBondContact O-N 3.47Å; S58-K60 VanDerWaalsContact O-N 3.15Å; K60-L64 WeakPolarHBondContact O-CB 3.32Å; K60-L64 PolarHBondContact O-N 3.26Å; K60-F110 PolarHBondContact NZ-O 3.47Å; K60-N111 PolarHBondContact NZ-O 3.09Å
61L95.1Very high93.4Very high1 Ų175.4 Ų75.41%0.00540%0.398CS..Hα-helixtrans-75.4-33.7-176.6-63.1-179.8000112.1L57 S58 E59 L64 F65 I106 F110L57-L61 HydrophobicContact CD2-CB 3.88Å; L57-L61 HydrophobicContact CD2-CD1 4.02Å; S58-L61 PolarHBondContact O-N 3.04Å; S58-L61 WeakPolarHBondContact OG-CG 3.39Å; S58-L61 PolarHBondContact OG-N 3.32Å; E59-L61 PolarHBondContact O-N 2.83Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-F65 WeakPolarHBondContact O-CB 3.31Å; L61-F65 PolarHBondContact O-N 3.41Å; L61-I106 HydrophobicContact CD1-CG2 4.06Å; L61-I106 HydrophobicContact CD2-CG2 4.19Å; L61-I106 HydrophobicContact CG-CG2 4.48Å; L61-F110 HydrophobicContact CD1-CB 4.37Å; L61-F110 HydrophobicContact CD2-CB 3.5Å
62E96.4Very high94Very high82 Ų8266.2 Ų66.238%0.38336%0.36SS..Hα-helixtrans-63.6-44.2171.6-68.6-171.3-178.300111.8L57 S58 E59 F65 K66L57-E62 HydrophobicContact CB-CG 3.7Å; L57-E62 HydrophobicContact CD1-CG 4.4Å; S58-E62 PolarHBondContact O-N 2.87Å; E59-E62 PolarHBondContact O-N 3.35Å; E62-F65 PolarHBondContact O-N 3.31Å; E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 2.93Å
63S97.1Very high94.6Very high75 Ų7569.9 Ų69.952%0.52437%0.365SS..Hα-helixtrans-62.4-45.2175.5-179.10000111.5E59 F65 K66 Q67E59-S63 VanDerWaalsContact O-CB 3.23Å; E59-S63 WeakPolarHBondContact O-CB 3.39Å; E59-S63 PolarHBondContact O-N 2.54Å; S63-F65 VanDerWaalsContact C-N 3.33Å; S63-F65 PolarHBondContact O-N 2.9Å; S63-K66 PolarHBondContact O-N 2.77Å; S63-Q67 WeakPolarHBondContact O-CB 3.41Å; S63-Q67 PolarHBondContact O-N 3.37Å
64L97.4Very high95Very high12 Ų1263.6 Ų63.66%0.06334%0.336CS..Hα-helixtrans-57.9-46174.8-177.8149.2000111.4K60 L61 Q67 V68 Q153 K154 V157K60-L64 WeakPolarHBondContact O-CB 3.32Å; K60-L64 PolarHBondContact O-N 3.26Å; L61-L64 PolarHBondContact O-N 3.39Å; L64-Q67 PolarHBondContact O-N 2.83Å; L64-V68 HydrophobicContact CD2-CG2 4.13Å; L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.33Å; L64-V68 PolarHBondContact O-N 2.87Å; L64-Q153 HydrophobicContact CD1-CB 3.61Å; L64-K154 HydrophobicContact CD1-CG 4.16Å; L64-K154 HydrophobicContact CG-CG 4.1Å; L64-V157 HydrophobicContact CD2-CB 4.16Å; L64-V157 HydrophobicContact CD2-CG2 3.71Å
65F97.9Very high94.9Very high15 Ų1563.4 Ų63.47%0.06635%0.348CS..Hα-helixtrans-61.4-49.8178.5176.8-113.7000112.1L61 E62 S63 Q67 V68 L69 A82 I104 I106 V157L61-F65 WeakPolarHBondContact O-CB 3.31Å; L61-F65 PolarHBondContact O-N 3.41Å; E62-F65 PolarHBondContact O-N 3.31Å; S63-F65 VanDerWaalsContact C-N 3.33Å; S63-F65 PolarHBondContact O-N 2.9Å; F65-Q67 VanDerWaalsContact C-N 3.3Å; F65-Q67 PolarHBondContact O-N 2.95Å; F65-V68 PolarHBondContact O-N 2.92Å; F65-V68 VanDerWaalsContact O-N 3.14Å; F65-L69 HydrophobicContact CD1-CD1 4.17Å; F65-L69 HydrophobicContact CE1-CD1 3.6Å; F65-L69 HydrophobicContact CE1-CG 4.31Å; F65-L69 HydrophobicContact CE2-CD1 4.27Å; F65-L69 HydrophobicContact CE2-CD2 4.16Å; F65-L69 HydrophobicContact CE2-CG 4.17Å; F65-L69 HydrophobicContact CZ-CD1 3.68Å; F65-L69 HydrophobicContact CZ-CD2 4.2Å; F65-L69 HydrophobicContact CZ-CG 4.09Å; F65-L69 WeakPolarHBondContact O-CG 3.47Å; F65-L69 PolarHBondContact O-N 3.25Å; F65-A82 HydrophobicContact CB-CB 4.38Å; F65-A82 HydrophobicContact CD1-CB 3.64Å; F65-A82 HydrophobicContact CD2-CB 3.89Å; F65-A82 HydrophobicContact CE1-CB 3.73Å; F65-A82 HydrophobicContact CE2-CB 3.98Å; F65-A82 HydrophobicContact CG-CB 3.7Å; F65-A82 HydrophobicContact CZ-CB 3.87Å; F65-I104 HydrophobicContact CE2-CB 4.23Å; F65-I104 HydrophobicContact CE2-CD1 4.03Å; F65-I106 HydrophobicContact CB-CD1 3.9Å; F65-I106 HydrophobicContact CD2-CD1 4.2Å; F65-I106 HydrophobicContact CG-CD1 4.31Å; F65-V157 HydrophobicContact CD2-CG1 3.95Å
66K97.6Very high95Very high136 Ų13664.3 Ų64.359%0.59136%0.355SS*.Hα-helixtrans-59.6-41.1177-71.9174.7-176.6172.80111.7E62 S63 L69 K70E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 2.93Å; S63-K66 PolarHBondContact O-N 2.77Å; K66-L69 PolarHBondContact O-N 2.92Å; K66-K70 PolarHBondContact O-N 2.98Å; K66-K70 VanDerWaalsContact O-N 3.08Å
67Q97.7Very high95.1Very high78 Ų7862.3 Ų62.336%0.36434%0.34SS..Hα-helixtrans-62.2-45.1175-179.2169.821.400111.5S63 L64 F65 L69 K70 D71S63-Q67 WeakPolarHBondContact O-CB 3.41Å; S63-Q67 PolarHBondContact O-N 3.37Å; L64-Q67 PolarHBondContact O-N 2.83Å; F65-Q67 VanDerWaalsContact C-N 3.3Å; F65-Q67 PolarHBondContact O-N 2.95Å; Q67-L69 PolarHBondContact O-N 2.86Å; Q67-K70 WeakPolarHBondContact O-CB 3.28Å; Q67-K70 PolarHBondContact O-N 3.4Å; Q67-D71 WeakPolarHBondContact O-CB 3.24Å; Q67-D71 PolarHBondContact O-N 3.15Å
68V98.2Very high95.2Very high0 Ų069.4 Ų69.40%038%0.378CS..Hα-helixtrans-62.7-41.9178.41680000111.7L64 F65 K70 D71 S72 K154 V157 A158 V161 Y245L64-V68 HydrophobicContact CD2-CG2 4.13Å; L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.33Å; L64-V68 PolarHBondContact O-N 2.87Å; F65-V68 PolarHBondContact O-N 2.92Å; F65-V68 VanDerWaalsContact O-N 3.14Å; V68-K70 VanDerWaalsContact C-N 3.31Å; V68-K70 PolarHBondContact O-N 2.96Å; V68-D71 PolarHBondContact O-N 3.4Å; V68-S72 WeakPolarHBondContact O-CB 3.33Å; V68-S72 PolarHBondContact O-N 3.25Å; V68-S72 PolarHBondContact O-OG 3.43Å; V68-K154 HydrophobicContact CG2-CB 4.17Å; V68-K154 HydrophobicContact CG2-CG 4.13Å; V68-V157 HydrophobicContact CB-CG1 4.21Å; V68-V157 HydrophobicContact CG1-CB 4.38Å; V68-V157 HydrophobicContact CG1-CG1 3.94Å; V68-V157 HydrophobicContact CG2-CB 4.31Å; V68-V157 HydrophobicContact CG2-CG1 4.34Å; V68-A158 HydrophobicContact CG1-CB 3.72Å; V68-V161 HydrophobicContact CG1-CG2 4.14Å; V68-Y245 HydrophobicContact CG2-CE1 4.3Å
69L97.9Very high95.4Very high14 Ų1468.4 Ų68.47%0.07337%0.373CS..Hα-helixtrans-60.7-42.2175.8-68.2-177.9000111.6F65 K66 Q67 S72 D73 V74 Y80 V161F65-L69 HydrophobicContact CD1-CD1 4.17Å; F65-L69 HydrophobicContact CE1-CD1 3.6Å; F65-L69 HydrophobicContact CE1-CG 4.31Å; F65-L69 HydrophobicContact CE2-CD1 4.27Å; F65-L69 HydrophobicContact CE2-CD2 4.16Å; F65-L69 HydrophobicContact CE2-CG 4.17Å; F65-L69 HydrophobicContact CZ-CD1 3.68Å; F65-L69 HydrophobicContact CZ-CD2 4.2Å; F65-L69 HydrophobicContact CZ-CG 4.09Å; F65-L69 WeakPolarHBondContact O-CG 3.47Å; F65-L69 PolarHBondContact O-N 3.25Å; K66-L69 PolarHBondContact O-N 2.92Å; Q67-L69 PolarHBondContact O-N 2.86Å; L69-S72 PolarHBondContact O-N 3.03Å; L69-D73 PolarHBondContact O-N 3.49Å; L69-V74 HydrophobicContact CB-CG2 4.44Å; L69-V74 HydrophobicContact CD2-CG2 4.31Å; L69-Y80 HydrophobicContact CD2-CD1 4.19Å; L69-Y80 HydrophobicContact CD2-CD2 4.13Å; L69-Y80 HydrophobicContact CD2-CG 3.84Å; L69-V161 HydrophobicContact CD2-CG1 4.1Å; L69-V161 HydrophobicContact CD2-CG2 3.89Å
70K97.3Very high95.5Very high172 Ų17260.9 Ų60.975%0.74834%0.338SS*.Hα-helixtrans-64.2-49.1175.7-177.3-178.7178-178.70112K66 Q67 V68 S72 D73K66-K70 PolarHBondContact O-N 2.98Å; K66-K70 VanDerWaalsContact O-N 3.08Å; Q67-K70 WeakPolarHBondContact O-CB 3.28Å; Q67-K70 PolarHBondContact O-N 3.4Å; V68-K70 VanDerWaalsContact C-N 3.31Å; V68-K70 PolarHBondContact O-N 2.96Å; K70-S72 PolarHBondContact O-N 3.3Å; K70-D73 PolarHBondContact O-N 3.11Å
71D97.6Very high95.6Very high63 Ų6359.2 Ų59.234%0.33734%0.337SS..Hα-helixtrans-64.6-30.2-179.5-67-9.4000111.7Q67 V68 D73 Y245Q67-D71 WeakPolarHBondContact O-CB 3.24Å; Q67-D71 PolarHBondContact O-N 3.15Å; V68-D71 PolarHBondContact O-N 3.4Å; D71-D73 VanDerWaalsContact C-N 3.31Å; D71-Y245 HydrophobicContact CB-CE2 4.25Å; D71-Y245 WeakPolarHBondContact CB-OH 3.42Å; D71-Y245 WeakPolarHBondContact OD2-CE2 3.39Å; D71-Y245 PolarHBondContact OD2-OH 3.39Å
72S96Very high95.7Very high13 Ų1360.4 Ų60.49%0.09135%0.347CS..THydrogen-bonded Turntrans-80.3-9.9-180-58.70000114.2V68 L69 K70 V74V68-S72 WeakPolarHBondContact O-CB 3.33Å; V68-S72 PolarHBondContact O-N 3.25Å; V68-S72 PolarHBondContact O-OG 3.43Å; L69-S72 PolarHBondContact O-N 3.03Å; K70-S72 PolarHBondContact O-N 3.3Å; S72-V74 VanDerWaalsContact C-N 3.34Å; S72-V74 PolarHBondContact O-N 2.9Å
73D94.8Very high95.6Very high142 Ų14256.8 Ų56.876%0.75933%0.33SS*.THydrogen-bonded Turntrans47.452.7-177.9-164.937.2000112.7L69 K70 D71L69-D73 PolarHBondContact O-N 3.49Å; K70-D73 PolarHBondContact O-N 3.11Å; D71-D73 VanDerWaalsContact C-N 3.31Å
74V93.9Very high95.5Very high9 Ų953.2 Ų53.26%0.05531%0.305CS..  trans-72.5142.9-179-63.80000111.2L69 S72 A76 P77 Y80 V161L69-V74 HydrophobicContact CB-CG2 4.44Å; L69-V74 HydrophobicContact CD2-CG2 4.31Å; S72-V74 VanDerWaalsContact C-N 3.34Å; S72-V74 PolarHBondContact O-N 2.9Å; V74-A76 VanDerWaalsContact C-N 3.28Å; V74-A76 PolarHBondContact O-N 3.28Å; V74-P77 HydrophobicContact CG2-CB 4.16Å; V74-P77 HydrophobicContact CG2-CG 3.94Å; V74-Y80 HydrophobicContact CB-CE2 3.96Å; V74-Y80 HydrophobicContact CG1-CE2 4.1Å; V74-Y80 HydrophobicContact CG2-CD2 4.21Å; V74-Y80 HydrophobicContact CG2-CE2 4.02Å; V74-V161 HydrophobicContact CG1-CG1 3.52Å
75G87.5Confident95.3Very high73 Ų7352.7 Ų52.775%0.75330%0.302SS*.SBendtrans-66.8-26.3-174.900000114.7E165G75-E165 PolarHBondContact N-OE1 3.4Å
76A89.9Confident94.6Very high44 Ų4457.5 Ų57.536%0.36432%0.323SS..  trans-138.681.6179.500000110.9V74 D78 G79 Y80V74-A76 VanDerWaalsContact C-N 3.28Å; V74-A76 PolarHBondContact O-N 3.28Å; A76-D78 VanDerWaalsContact C-N 3.26Å; A76-D78 PolarHBondContact O-N 2.99Å; A76-G79 WeakPolarHBondContact O-CA 3.37Å; A76-G79 PolarHBondContact O-N 3.24Å; A76-Y80 WeakPolarHBondContact O-CD2 3.5Å
77P92.4Very high94Very high66 Ų6652.1 Ų52.143%0.42931%0.307SS..G310 helixtrans-57.5-36.8-178.5-24.233.5000113.5V74 G79 Y80V74-P77 HydrophobicContact CG2-CB 4.16Å; V74-P77 HydrophobicContact CG2-CG 3.94Å; P77-G79 PolarHBondContact O-N 2.9Å; P77-Y80 PolarHBondContact O-N 3.37Å; P77-Y80 VanDerWaalsContact O-N 3.11Å
78D94Very high93.5Very high168 Ų16851 Ų5190%0.89830%0.301SS*.G310 helixtrans-69-15.5178.1-59.6-33.2000113.1A76 Y80A76-D78 VanDerWaalsContact C-N 3.26Å; A76-D78 PolarHBondContact O-N 2.99Å; D78-Y80 PolarHBondContact O-N 3.46Å
79G95.3Very high93Very high15 Ų1554.9 Ų54.916%0.15532%0.319CS..G310 helixtrans-74.4-0.7172.100000113.5A76 P77 G101 A102A76-G79 WeakPolarHBondContact O-CA 3.37Å; A76-G79 PolarHBondContact O-N 3.24Å; P77-G79 PolarHBondContact O-N 2.9Å; G79-G101 CarbonylContact O-C 3.58Å; G79-G101 VanDerWaalsContact O-CA 3.27Å; G79-G101 WeakPolarHBondContact O-CA 3.16Å; G79-A102 PolarHBondContact O-N 3.3Å
80Y97.3Very high92.9Very high14 Ų1454.3 Ų54.36%0.05532%0.316CS..EExtended strand (participates in β ladder)trans-118.9136.8-178.9-69.9-92.5000111.9L69 V74 A76 P77 D78 P96 A102 I104 V161 L164 E165L69-Y80 HydrophobicContact CD2-CD1 4.19Å; L69-Y80 HydrophobicContact CD2-CD2 4.13Å; L69-Y80 HydrophobicContact CD2-CG 3.84Å; V74-Y80 HydrophobicContact CB-CE2 3.96Å; V74-Y80 HydrophobicContact CG1-CE2 4.1Å; V74-Y80 HydrophobicContact CG2-CD2 4.21Å; V74-Y80 HydrophobicContact CG2-CE2 4.02Å; A76-Y80 WeakPolarHBondContact O-CD2 3.5Å; P77-Y80 PolarHBondContact O-N 3.37Å; P77-Y80 VanDerWaalsContact O-N 3.11Å; D78-Y80 PolarHBondContact O-N 3.46Å; Y80-P96 HydrophobicContact CD2-CB 4.04Å; Y80-P96 HydrophobicContact CE1-CB 4.07Å; Y80-P96 HydrophobicContact CE1-CG 4.37Å; Y80-P96 HydrophobicContact CE2-CB 3.45Å; Y80-P96 VanDerWaalsContact CE2-CB 3.45Å; Y80-P96 HydrophobicContact CE2-CG 4.12Å; Y80-P96 VanDerWaalsContact CZ-CB 3.47Å; Y80-P96 WeakPolarHBondContact OH-CG 3.3Å; Y80-A102 WeakPolarHBondContact CA-O 3.44Å; Y80-A102 HydrophobicContact CD1-CB 3.93Å; Y80-A102 HydrophobicContact CE1-CB 4.05Å; Y80-I104 HydrophobicContact CD1-CD1 4.27Å; Y80-V161 HydrophobicContact CE1-CG1 4.14Å; Y80-L164 HydrophobicContact CE1-CB 4.19Å; Y80-L164 HydrophobicContact CE1-CD1 4.49Å; Y80-E165 WeakPolarHBondContact OH-CA 3.4Å; Y80-E165 WeakPolarHBondContact OH-CB 3.23Å; Y80-E165 PolarHBondContact OH-N 2.87Å; Y80-E165 PolarHBondContact OH-OE2 3.5Å
81S96.8Very high92.7Very high52 Ų5246.8 Ų46.836%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-133.7153.5171.855.30000110.7A102 Q103 I104S81-A102 PolarHBondContact N-O 3.29Å; S81-A102 PolarHBondContact OG-O 3.4Å; S81-Q103 CarbonylContact O-C 3.47Å; S81-Q103 VanDerWaalsContact O-CA 3.31Å; S81-Q103 WeakPolarHBondContact O-CA 3.48Å; S81-I104 PolarHBondContact O-N 3.35Å
82A96.7Very high92.6Very high26 Ų2643.9 Ų43.922%0.21527%0.27CS..EExtended strand (participates in β ladder)trans-119.6150.5177.200000111.1L57 F65 I104 I106L57-A82 HydrophobicContact CD1-CB 3.53Å; L57-A82 WeakPolarHBondContact CD1-O 3.15Å; F65-A82 HydrophobicContact CB-CB 4.38Å; F65-A82 HydrophobicContact CD1-CB 3.64Å; F65-A82 HydrophobicContact CD2-CB 3.89Å; F65-A82 HydrophobicContact CE1-CB 3.73Å; F65-A82 HydrophobicContact CE2-CB 3.98Å; F65-A82 HydrophobicContact CG-CB 3.7Å; F65-A82 HydrophobicContact CZ-CB 3.87Å; A82-I104 WeakPolarHBondContact CA-O 3.17Å; A82-I106 HydrophobicContact CB-CD1 4Å; A82-I106 HydrophobicContact CB-CG1 4.47Å
83F95.4Very high92.6Very high5 Ų543.3 Ų43.32%0.02227%0.265CS..EExtended strand (participates in β ladder)trans-140.6159.9172.567.7-83.1000110.8Y42 R43 S85 Q103 I104 G105 I106Y42-F83 HydrophobicContact CD1-CE1 4.47Å; Y42-F83 HydrophobicContact CD1-CZ 4.31Å; Y42-F83 HydrophobicContact CE1-CZ 4.37Å; R43-F83 HydrophobicContact CG-CD1 4.27Å; R43-F83 HydrophobicContact CG-CD2 3.97Å; R43-F83 HydrophobicContact CG-CE1 4.46Å; R43-F83 HydrophobicContact CG-CE2 4.19Å; R43-F83 HydrophobicContact CG-CG 4.03Å; R43-F83 HydrophobicContact CG-CZ 4.43Å; F83-S85 PolarHBondContact O-N 2.97Å; F83-Q103 HydrophobicContact CD1-CB 4.32Å; F83-Q103 HydrophobicContact CE1-CB 4.09Å; F83-I104 PolarHBondContact N-O 3.24Å; F83-G105 CarbonylContact O-C 3.57Å; F83-G105 WeakPolarHBondContact O-CA 3.49Å; F83-I106 PolarHBondContact O-N 3.41Å
84A93.6Very high92.7Very high1 Ų136.5 Ų36.51%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-74.2119.317500000109.2Q47 A48 A55 L57Q47-A84 PolarHBondContact NE2-O 3.12Å; A48-A84 HydrophobicContact CB-CB 4.2Å; A48-A84 WeakPolarHBondContact CB-O 3.47Å; A48-A84 PolarHBondContact N-O 3.18Å; A55-A84 HydrophobicContact CB-CB 4.19Å; A55-A84 WeakPolarHBondContact O-CB 3.46Å; L57-A84 HydrophobicContact CD2-CB 4.25Å; L57-A84 HydrophobicContact CG-CB 4.35Å
85S92.8Very high92.7Very high0 Ų036.1 Ų36.10%023%0.227CC..EExtended strand (participates in β ladder)trans-101.4148.6-179.660.50000113.3Y46 F83 G105 I106Y46-S85 CarbonylContact O-C 3.6Å; Y46-S85 WeakPolarHBondContact O-CA 3.43Å; Y46-S85 WeakPolarHBondContact O-CB 3.41Å; F83-S85 PolarHBondContact O-N 2.97Å; S85-G105 PolarHBondContact OG-O 3.21Å; S85-I106 PolarHBondContact N-O 3.2Å; S85-I106 PolarHBondContact OG-N 3.46Å; S85-I106 PolarHBondContact OG-O 3.48Å
86F84.2Confident93.1Very high116 Ų11633 Ų3351%0.50919%0.193SC..SBendtrans-77.8135164101.6-94.1000108.3L45 Y46L45-F86 WeakPolarHBondContact O-CE1 3.46Å; Y46-F86 HydrophobicContact CD1-CD1 4.41Å; Y46-F86 AromaticContact CD1-CE1 3.95Å; Y46-F86 HydrophobicContact CD1-CE1 3.95Å; Y46-F86 PolarHBondContact O-N 3.03Å
87G85.7Confident93.3Very high24 Ų2437.8 Ų37.825%0.24720%0.202CC..SBendtrans127.4-169.6-174.300000112.3
88F86.4Confident93.3Very high53 Ų5337.4 Ų37.423%0.23220%0.196CC..SBendtrans-127.83.5-174.7-57.3-65000114I125 L146F88-I125 HydrophobicContact CE1-CD1 3.77Å; F88-I125 HydrophobicContact CZ-CD1 3.45Å; F88-I125 VanDerWaalsContact CZ-CD1 3.45Å; F88-I125 HydrophobicContact CZ-CG1 4.18Å; F88-L146 HydrophobicContact CB-CD2 3.8Å; F88-L146 HydrophobicContact CD1-CD1 3.97Å; F88-L146 HydrophobicContact CD1-CD2 3.47Å; F88-L146 VanDerWaalsContact CD1-CD2 3.47Å; F88-L146 HydrophobicContact CD1-CG 4.29Å; F88-L146 HydrophobicContact CD2-CD2 4.25Å; F88-L146 HydrophobicContact CE1-CD1 3.68Å; F88-L146 HydrophobicContact CE1-CD2 4.06Å; F88-L146 HydrophobicContact CE1-CG 4.49Å; F88-L146 HydrophobicContact CG-CD2 3.58Å; F88-L146 HydrophobicContact CZ-CD1 4.2Å
89H88.5Confident93.2Very high83 Ų8336.1 Ų36.138%0.38420%0.196SC..SBendtrans-141.9147.7177.658.2-86.4000109.7V91 P107H89-V91 WeakPolarHBondContact O-CG1 3.4Å; H89-P107 VanDerWaalsContact N-CG 3.31Å; H89-P107 VanDerWaalsContact O-CG 3.24Å; H89-P107 WeakPolarHBondContact O-CG 3.44Å
90P94.3Very high93.1Very high2 Ų237.7 Ų37.71%0.01321%0.205CC..  trans-58.9142175.2-26.436.7000112G105 F110 A156 V157P90-G105 VanDerWaalsContact CA-O 3.26Å; P90-G105 WeakPolarHBondContact CA-O 3.47Å; P90-F110 HydrophobicContact CG-CE2 3.88Å; P90-F110 HydrophobicContact CG-CZ 3.9Å; P90-A156 HydrophobicContact CG-CB 3.78Å; P90-V157 HydrophobicContact CG-CG2 4.25Å
91V94.1Very high93Very high13 Ų1337.4 Ų37.48%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-133.2143.8-178.9-56.80000108.4Y42 Y46 H89 I104 G105Y42-V91 HydrophobicContact CE1-CG2 4Å; Y42-V91 VanDerWaalsContact OH-C 3.3Å; Y42-V91 WeakPolarHBondContact OH-CB 3.49Å; Y42-V91 WeakPolarHBondContact OH-CG2 3.49Å; Y46-V91 HydrophobicContact CD1-CG2 3.91Å; Y46-V91 HydrophobicContact CD2-CG2 4.44Å; Y46-V91 HydrophobicContact CE1-CG1 4.41Å; Y46-V91 HydrophobicContact CE1-CG2 4.42Å; Y46-V91 HydrophobicContact CG-CG2 3.92Å; H89-V91 WeakPolarHBondContact O-CG1 3.4Å; V91-I104 CarbonylContact O-C 3.51Å; V91-I104 WeakPolarHBondContact O-CA 3.42Å; V91-G105 PolarHBondContact N-O 2.81Å; V91-G105 VanDerWaalsContact N-O 3.09Å; V91-G105 PolarHBondContact O-N 3.12Å
92G94.7Very high93Very high3 Ų335 Ų353%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-140.7154.2-178.800000115Y42 Q103 E160 R163Y42-G92 PolarHBondContact OH-N 2.93Å; Y42-G92 PolarHBondContact OH-O 3.27Å; G92-Q103 CarbonylContact C-O 3.5Å; G92-Q103 WeakPolarHBondContact CA-O 3.26Å; G92-E160 WeakPolarHBondContact CA-OE1 3.38Å; G92-E160 PolarHBondContact N-OE1 2.99Å; G92-R163 VanDerWaalsContact C-NH2 3.34Å; G92-R163 PolarHBondContact O-NH2 3.3Å
93A96.3Very high93Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-153.2157.8173.100000110.7H35 P38 Y42 A102 Q103H35-A93 WeakPolarHBondContact ND1-CB 3.36Å; P38-A93 HydrophobicContact CB-CB 4.34Å; Y42-A93 HydrophobicContact CD1-CB 3.48Å; Y42-A93 VanDerWaalsContact CD1-CB 3.48Å; Y42-A93 HydrophobicContact CD2-CB 3.43Å; Y42-A93 VanDerWaalsContact CD2-CB 3.43Å; Y42-A93 HydrophobicContact CE1-CB 3.77Å; Y42-A93 HydrophobicContact CE2-CB 3.72Å; Y42-A93 HydrophobicContact CG-CB 3.27Å; A93-A102 WeakPolarHBondContact O-CA 3.25Å; A93-Q103 PolarHBondContact N-O 3Å; A93-Q103 PolarHBondContact O-N 3.32Å
94G96Very high93.1Very high0 Ų033.8 Ų33.80%018%0.18CC..EExtended strand (participates in β ladder)trans110.7-179.6177.600000111.5H35 G101 P169H35-G94 PolarHBondContact ND1-N 3.18Å; H35-G94 WeakPolarHBondContact O-CA 3.42Å; G94-G101 CarbonylContact C-O 3.36Å; G94-G101 WeakPolarHBondContact CA-O 3.49Å; G94-P169 WeakPolarHBondContact O-CG 3.13Å
95V95.5Very high93.2Very high1 Ų133.8 Ų33.81%0.00618%0.179CC..  trans-134.2113.5-178.2-179.30000106.7M32 W97 L98 G101 P169 V170M32-V95 HydrophobicContact CE-CG2 3.82Å; V95-W97 HydrophobicContact CG1-CD2 3.36Å; V95-W97 HydrophobicContact CG1-CE3 3.77Å; V95-W97 HydrophobicContact CG1-CG 3.96Å; V95-W97 HydrophobicContact CG1-CH2 3.71Å; V95-W97 HydrophobicContact CG1-CZ2 3.27Å; V95-W97 HydrophobicContact CG1-CZ3 3.92Å; V95-W97 PolarHBondContact O-N 3.36Å; V95-W97 VanDerWaalsContact O-N 3.14Å; V95-L98 HydrophobicContact CB-CB 4.23Å; V95-L98 HydrophobicContact CB-CD1 3.74Å; V95-L98 HydrophobicContact CB-CG 3.8Å; V95-L98 HydrophobicContact CG1-CD1 4.11Å; V95-L98 HydrophobicContact CG1-CG 3.81Å; V95-L98 HydrophobicContact CG2-CD1 4.08Å; V95-L98 PolarHBondContact O-N 3.38Å; V95-G101 PolarHBondContact N-O 2.94Å; V95-G101 CarbonylContact O-C 3.57Å; V95-P169 HydrophobicContact CG2-CB 4.44Å; V95-V170 HydrophobicContact CG2-CG2 3.96Å
96P95.3Very high93.4Very high6 Ų633.8 Ų33.84%0.03918%0.179CC..THydrogen-bonded Turntrans-64.2-25.6-166.523.2-32.6000113.7Y80 A102Y80-P96 HydrophobicContact CD2-CB 4.04Å; Y80-P96 HydrophobicContact CE1-CB 4.07Å; Y80-P96 HydrophobicContact CE1-CG 4.37Å; Y80-P96 HydrophobicContact CE2-CB 3.45Å; Y80-P96 VanDerWaalsContact CE2-CB 3.45Å; Y80-P96 HydrophobicContact CE2-CG 4.12Å; Y80-P96 VanDerWaalsContact CZ-CB 3.47Å; Y80-P96 WeakPolarHBondContact OH-CG 3.3Å; P96-A102 HydrophobicContact CB-CB 4.1Å
97W93Very high93.8Very high146 Ų14628.2 Ų28.255%0.55316%0.155SC*.THydrogen-bonded Turntrans-89.63.1177.16484.5000114.3V95 G167 V170V95-W97 HydrophobicContact CG1-CD2 3.36Å; V95-W97 HydrophobicContact CG1-CE3 3.77Å; V95-W97 HydrophobicContact CG1-CG 3.96Å; V95-W97 HydrophobicContact CG1-CH2 3.71Å; V95-W97 HydrophobicContact CG1-CZ2 3.27Å; V95-W97 HydrophobicContact CG1-CZ3 3.92Å; V95-W97 PolarHBondContact O-N 3.36Å; V95-W97 VanDerWaalsContact O-N 3.14Å; W97-G167 VanDerWaalsContact CH2-CA 3.46Å; W97-V170 HydrophobicContact CZ2-CG2 4.35Å
98L93.6Very high93.8Very high58 Ų5827.7 Ų27.730%0.30415%0.148SC..SBendtrans-94.8157.8171.5-67.3-175000110.7L36 V95 S100 G101L36-L98 HydrophobicContact CD2-CD1 3.67Å; V95-L98 HydrophobicContact CB-CB 4.23Å; V95-L98 HydrophobicContact CB-CD1 3.74Å; V95-L98 HydrophobicContact CB-CG 3.8Å; V95-L98 HydrophobicContact CG1-CD1 4.11Å; V95-L98 HydrophobicContact CG1-CG 3.81Å; V95-L98 HydrophobicContact CG2-CD1 4.08Å; V95-L98 PolarHBondContact O-N 3.38Å; L98-S100 PolarHBondContact O-N 3.45Å; L98-S100 VanDerWaalsContact O-N 3.11Å; L98-G101 WeakPolarHBondContact O-CA 3.36Å; L98-G101 PolarHBondContact O-N 2.97Å
99P91.9Very high93.9Very high140 Ų14025.2 Ų25.291%0.90914%0.137SC*.THydrogen-bonded Turntrans-58.5-27.1-179-2735.4000115.2G101P99-G101 VanDerWaalsContact C-N 3.29Å
100S92.8Very high94.1Very high49 Ų4921.2 Ų21.234%0.34312%0.119SC..THydrogen-bonded Turntrans-82.1-7.8176.152.90000114L36 L98L36-S100 WeakPolarHBondContact O-CB 3.41Å; L36-S100 PolarHBondContact O-OG 3.05Å; L98-S100 PolarHBondContact O-N 3.45Å; L98-S100 VanDerWaalsContact O-N 3.11Å
101G95.6Very high93.9Very high8 Ų823.8 Ų23.88%0.08213%0.132CC..  trans61.3-160.8178.200000114.3G79 G94 V95 L98 P99G79-G101 CarbonylContact O-C 3.58Å; G79-G101 VanDerWaalsContact O-CA 3.27Å; G79-G101 WeakPolarHBondContact O-CA 3.16Å; G94-G101 CarbonylContact C-O 3.36Å; G94-G101 WeakPolarHBondContact CA-O 3.49Å; V95-G101 PolarHBondContact N-O 2.94Å; V95-G101 CarbonylContact O-C 3.57Å; L98-G101 WeakPolarHBondContact O-CA 3.36Å; L98-G101 PolarHBondContact O-N 2.97Å; P99-G101 VanDerWaalsContact C-N 3.29Å
102A96.8Very high93.5Very high0 Ų023.3 Ų23.30%013%0.13CC..EExtended strand (participates in β ladder)trans-120.8146175.700000110.6G79 Y80 S81 A93 P96 L164G79-A102 PolarHBondContact O-N 3.3Å; Y80-A102 WeakPolarHBondContact CA-O 3.44Å; Y80-A102 HydrophobicContact CD1-CB 3.93Å; Y80-A102 HydrophobicContact CE1-CB 4.05Å; S81-A102 PolarHBondContact N-O 3.29Å; S81-A102 PolarHBondContact OG-O 3.4Å; A93-A102 WeakPolarHBondContact O-CA 3.25Å; P96-A102 HydrophobicContact CB-CB 4.1Å; A102-L164 HydrophobicContact CB-CB 4.41Å; A102-L164 HydrophobicContact CB-CD1 3.76Å
103Q96.4Very high93.1Very high7 Ų725.9 Ų25.93%0.03315%0.145CC..EExtended strand (participates in β ladder)trans-123.9133.4-178.9-58.3-165.7-14.900110.3P38 E39 S81 F83 G92 A93P38-Q103 HydrophobicContact CB-CB 4.34Å; P38-Q103 HydrophobicContact CB-CG 3.9Å; P38-Q103 HydrophobicContact CG-CG 3.96Å; E39-Q103 PolarHBondContact OE2-NE2 3.34Å; S81-Q103 CarbonylContact O-C 3.47Å; S81-Q103 VanDerWaalsContact O-CA 3.31Å; S81-Q103 WeakPolarHBondContact O-CA 3.48Å; F83-Q103 HydrophobicContact CD1-CB 4.32Å; F83-Q103 HydrophobicContact CE1-CB 4.09Å; G92-Q103 CarbonylContact C-O 3.5Å; G92-Q103 WeakPolarHBondContact CA-O 3.26Å; A93-Q103 PolarHBondContact N-O 3Å; A93-Q103 PolarHBondContact O-N 3.32Å
104I97.4Very high92.3Very high0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-120.1112.7177.5-64.5174.9000108.9F65 Y80 S81 A82 F83 V91 I106 E160 V161 L164F65-I104 HydrophobicContact CE2-CB 4.23Å; F65-I104 HydrophobicContact CE2-CD1 4.03Å; Y80-I104 HydrophobicContact CD1-CD1 4.27Å; S81-I104 PolarHBondContact O-N 3.35Å; A82-I104 WeakPolarHBondContact CA-O 3.17Å; F83-I104 PolarHBondContact N-O 3.24Å; V91-I104 CarbonylContact O-C 3.51Å; V91-I104 WeakPolarHBondContact O-CA 3.42Å; I104-I106 HydrophobicContact CG2-CG1 4.16Å; I104-I106 PolarHBondContact O-N 3.02Å; I104-E160 HydrophobicContact CD1-CB 4.43Å; I104-E160 HydrophobicContact CD1-CG 4.43Å; I104-E160 HydrophobicContact CG1-CG 4.21Å; I104-E160 HydrophobicContact CG2-CB 4.5Å; I104-E160 HydrophobicContact CG2-CG 4.3Å; I104-V161 HydrophobicContact CD1-CB 4.3Å; I104-V161 HydrophobicContact CD1-CG2 3.4Å; I104-L164 HydrophobicContact CD1-CD1 4.09Å; I104-L164 HydrophobicContact CG1-CD1 3.78Å
105G96.7Very high91.6Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-75.5117.4169.600000109.9F83 S85 P90 V91F83-G105 CarbonylContact O-C 3.57Å; F83-G105 WeakPolarHBondContact O-CA 3.49Å; S85-G105 PolarHBondContact OG-O 3.21Å; P90-G105 VanDerWaalsContact CA-O 3.26Å; P90-G105 WeakPolarHBondContact CA-O 3.47Å; V91-G105 PolarHBondContact N-O 2.81Å; V91-G105 VanDerWaalsContact N-O 3.09Å; V91-G105 PolarHBondContact O-N 3.12Å
106I96.6Very high91Very high0 Ų043.8 Ų43.80%024%0.24CC..EExtended strand (participates in β ladder)trans-101.9123.9176.3-56.9176.4000108.6L57 L61 F65 A82 F83 S85 I104 A108 F110 V157L57-I106 HydrophobicContact CD2-CB 3.99Å; L61-I106 HydrophobicContact CD1-CG2 4.06Å; L61-I106 HydrophobicContact CD2-CG2 4.19Å; L61-I106 HydrophobicContact CG-CG2 4.48Å; F65-I106 HydrophobicContact CB-CD1 3.9Å; F65-I106 HydrophobicContact CD2-CD1 4.2Å; F65-I106 HydrophobicContact CG-CD1 4.31Å; A82-I106 HydrophobicContact CB-CD1 4Å; A82-I106 HydrophobicContact CB-CG1 4.47Å; F83-I106 PolarHBondContact O-N 3.41Å; S85-I106 PolarHBondContact N-O 3.2Å; S85-I106 PolarHBondContact OG-N 3.46Å; S85-I106 PolarHBondContact OG-O 3.48Å; I104-I106 HydrophobicContact CG2-CG1 4.16Å; I104-I106 PolarHBondContact O-N 3.02Å; I106-A108 PolarHBondContact O-N 3.15Å; I106-F110 HydrophobicContact CG2-CD2 3.85Å; I106-F110 HydrophobicContact CG2-CG 4.42Å; I106-V157 HydrophobicContact CD1-CG2 4.19Å; I106-V157 HydrophobicContact CG1-CG2 4.24Å
107P92.3Very high90.3Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-65.8132.2-178.4-24.835.9000111.4H89 N109 F110H89-P107 VanDerWaalsContact N-CG 3.31Å; H89-P107 VanDerWaalsContact O-CG 3.24Å; H89-P107 WeakPolarHBondContact O-CG 3.44Å; P107-N109 WeakPolarHBondContact CB-OD1 3.27Å; P107-N109 PolarHBondContact O-N 2.94Å; P107-N109 VanDerWaalsContact O-N 3.14Å; P107-F110 HydrophobicContact CB-CD1 4.36Å; P107-F110 HydrophobicContact CG-CE1 4.44Å; P107-F110 WeakPolarHBondContact O-CB 3.28Å; P107-F110 PolarHBondContact O-N 3.35Å
108A85.5Confident89.5Confident12 Ų1239.3 Ų39.310%0.09923%0.232CC..G310 helixtrans-72.9-4.8-178.700000114.5I106 F110 N111I106-A108 PolarHBondContact O-N 3.15Å; A108-F110 PolarHBondContact O-N 3.13Å; A108-N111 WeakPolarHBondContact O-CB 3.34Å; A108-N111 PolarHBondContact O-N 2.81Å
109N88.8Confident88.5Confident1 Ų137.7 Ų37.71%0.00523%0.229CC..G310 helixtrans-66.4-15.1164.565-66.7000112.8P107 N111 S112 I120 L146P107-N109 WeakPolarHBondContact CB-OD1 3.27Å; P107-N109 PolarHBondContact O-N 2.94Å; P107-N109 VanDerWaalsContact O-N 3.14Å; N109-N111 PolarHBondContact O-N 3.2Å; N109-S112 WeakPolarHBondContact O-CB 3.32Å; N109-S112 PolarHBondContact O-N 3.29Å; N109-I120 HydrophobicContact CB-CD1 4.31Å; N109-I120 HydrophobicContact CB-CG1 3.65Å; N109-L146 PolarHBondContact ND2-O 2.91Å
110F92.4Very high87.8Confident0 Ų031 Ų310%019%0.186CC..G310 helixtrans-68.7-13.7173.4-75.817.6000112.6K60 L61 P90 I106 P107 A108 S112 F148 Q153 A156 V157K60-F110 PolarHBondContact NZ-O 3.47Å; L61-F110 HydrophobicContact CD1-CB 4.37Å; L61-F110 HydrophobicContact CD2-CB 3.5Å; P90-F110 HydrophobicContact CG-CE2 3.88Å; P90-F110 HydrophobicContact CG-CZ 3.9Å; I106-F110 HydrophobicContact CG2-CD2 3.85Å; I106-F110 HydrophobicContact CG2-CG 4.42Å; P107-F110 HydrophobicContact CB-CD1 4.36Å; P107-F110 HydrophobicContact CG-CE1 4.44Å; P107-F110 WeakPolarHBondContact O-CB 3.28Å; P107-F110 PolarHBondContact O-N 3.35Å; A108-F110 PolarHBondContact O-N 3.13Å; F110-S112 VanDerWaalsContact C-N 3.33Å; F110-F148 HydrophobicContact CD1-CD2 4.18Å; F110-F148 AromaticContact CE1-CD2 3.72Å; F110-F148 HydrophobicContact CE1-CD2 3.72Å; F110-F148 HydrophobicContact CE1-CE2 4.1Å; F110-F148 HydrophobicContact CE1-CG 4.2Å; F110-Q153 HydrophobicContact CB-CG 4.14Å; F110-Q153 HydrophobicContact CD1-CG 4.19Å; F110-Q153 HydrophobicContact CD2-CB 3.7Å; F110-Q153 HydrophobicContact CD2-CG 3.54Å; F110-Q153 HydrophobicContact CE1-CG 4.45Å; F110-Q153 HydrophobicContact CE2-CB 3.79Å; F110-Q153 HydrophobicContact CE2-CG 3.84Å; F110-Q153 HydrophobicContact CG-CB 4.39Å; F110-Q153 HydrophobicContact CG-CG 3.72Å; F110-Q153 HydrophobicContact CZ-CG 4.28Å; F110-Q153 PolarHBondContact O-NE2 2.96Å; F110-Q153 PolarHBondContact O-OE1 3.33Å; F110-A156 HydrophobicContact CE2-CB 4.06Å; F110-A156 HydrophobicContact CZ-CB 3.84Å; F110-V157 HydrophobicContact CE2-CG2 4.42Å
111N89.4Confident87Confident56 Ų5630.6 Ų30.630%0.29918%0.181SC..G310 helixtrans-70.9-30.3168.5-73.7-45.2000112.7S58 K60 A108 N109S58-N111 WeakPolarHBondContact CB-OD1 3.49Å; S58-N111 PolarHBondContact OG-OD1 2.81Å; K60-N111 PolarHBondContact NZ-O 3.09Å; A108-N111 WeakPolarHBondContact O-CB 3.34Å; A108-N111 PolarHBondContact O-N 2.81Å; N109-N111 PolarHBondContact O-N 3.2Å
112S87.1Confident86Confident3 Ų336.6 Ų36.62%0.02121%0.212CC..  trans-67.7148-177.2-66.60000112.9N109 F110 D116 G119 I120N109-S112 WeakPolarHBondContact O-CB 3.32Å; N109-S112 PolarHBondContact O-N 3.29Å; F110-S112 VanDerWaalsContact C-N 3.33Å; S112-D116 VanDerWaalsContact CA-O 3.28Å; S112-D116 WeakPolarHBondContact CA-O 3.39Å; S112-D116 WeakPolarHBondContact CB-O 3.42Å; S112-G119 VanDerWaalsContact OG-CA 3.24Å; S112-G119 WeakPolarHBondContact OG-CA 2.91Å; S112-G119 PolarHBondContact OG-N 3.14Å; S112-I120 PolarHBondContact OG-N 3.23Å
113T85.4Confident85Confident57 Ų5740.5 Ų40.535%0.3523%0.226SC..  trans-121.3178.3170.465.60000109.3D115 D116T113-D115 VanDerWaalsContact C-N 3.26Å; T113-D115 PolarHBondContact OG1-N 3.21Å; T113-D116 PolarHBondContact N-O 3.07Å; T113-D116 CarbonylContact O-C 3.5Å; T113-D116 VanDerWaalsContact O-C 3.31Å; T113-D116 PolarHBondContact OG1-N 3.47Å
114L79.6Confident83.9Confident126 Ų12644.4 Ų44.466%0.6625%0.254SS*.SBendtrans-63.8-36.7172.9-69.2173000111.4V147L114-V147 HydrophobicContact CD2-CB 4.43Å; L114-V147 HydrophobicContact CD2-CG1 4.06Å; L114-V147 HydrophobicContact CG-CG1 4.22Å
115D80.8Confident83.1Confident159 Ų15945.8 Ų45.885%0.8526%0.261SS*.SBendtrans-82.8-25.8-179.1-51.6-50.4000112.8T113T113-D115 VanDerWaalsContact C-N 3.26Å; T113-D115 PolarHBondContact OG1-N 3.21Å
116D84.1Confident82.5Confident91 Ų9150.9 Ų50.949%0.48729%0.288SS..  trans-128.481.3176.4-177.213.8000111.8S112 T113 A118S112-D116 VanDerWaalsContact CA-O 3.28Å; S112-D116 WeakPolarHBondContact CA-O 3.39Å; S112-D116 WeakPolarHBondContact CB-O 3.42Å; T113-D116 PolarHBondContact N-O 3.07Å; T113-D116 CarbonylContact O-C 3.5Å; T113-D116 VanDerWaalsContact O-C 3.31Å; T113-D116 PolarHBondContact OG1-N 3.47Å; D116-A118 PolarHBondContact O-N 2.95Å; D116-A118 WeakPolarHBondContact OD1-CB 3.24Å; D116-A118 PolarHBondContact OD1-N 3.09Å; D116-A118 VanDerWaalsContact OD1-N 3.13Å
117P80.6Confident81.9Confident31 Ų3151.9 Ų51.920%0.20129%0.293CS..  trans-81.18.5175.533.8-35.8000113.2G119 I120 T121 K143P117-G119 PolarHBondContact O-N 3.15Å; P117-G119 VanDerWaalsContact O-N 3.11Å; P117-I120 WeakPolarHBondContact O-CA 3.49Å; P117-I120 WeakPolarHBondContact O-CB 3.16Å; P117-I120 PolarHBondContact O-N 3.45Å; P117-T121 HydrophobicContact CB-CG2 4.36Å; P117-T121 PolarHBondContact O-N 2.94Å; P117-T121 PolarHBondContact O-OG1 2.91Å; P117-K143 HydrophobicContact CB-CD 3.98Å; P117-K143 HydrophobicContact CB-CG 4.18Å; P117-K143 HydrophobicContact CG-CD 4.28Å
118A74.7Confident81.4Confident28 Ų2856.3 Ų56.323%0.23132%0.317CS..Hα-helixtrans-57.2-33.7-171.700000113.3D116 I120 T121 N122D116-A118 PolarHBondContact O-N 2.95Å; D116-A118 WeakPolarHBondContact OD1-CB 3.24Å; D116-A118 PolarHBondContact OD1-N 3.09Å; D116-A118 VanDerWaalsContact OD1-N 3.13Å; A118-I120 PolarHBondContact O-N 2.98Å; A118-I120 VanDerWaalsContact O-N 3.15Å; A118-T121 WeakPolarHBondContact CA-OG1 3.27Å; A118-T121 PolarHBondContact O-N 2.92Å; A118-N122 WeakPolarHBondContact O-CB 3.42Å; A118-N122 PolarHBondContact O-N 3Å; A118-N122 PolarHBondContact O-ND2 3.24Å
119G72.6Confident81.2Confident24 Ų2458.8 Ų58.825%0.24734%0.344CS..Hα-helixtrans-59.9-19.8173.700000114.9S112 P117 R123S112-G119 VanDerWaalsContact OG-CA 3.24Å; S112-G119 WeakPolarHBondContact OG-CA 2.91Å; S112-G119 PolarHBondContact OG-N 3.14Å; P117-G119 PolarHBondContact O-N 3.15Å; P117-G119 VanDerWaalsContact O-N 3.11Å; G119-R123 WeakPolarHBondContact O-CD 3.46Å; G119-R123 PolarHBondContact O-NE 3.23Å
120I77.7Confident81.1Confident0 Ų065.7 Ų65.70%038%0.376CS..Hα-helixtrans-100.1-52.6175.5-62.7158.8000110.1N109 S112 P117 A118 N122 R123 W134 L146 V147N109-I120 HydrophobicContact CB-CD1 4.31Å; N109-I120 HydrophobicContact CB-CG1 3.65Å; S112-I120 PolarHBondContact OG-N 3.23Å; P117-I120 WeakPolarHBondContact O-CA 3.49Å; P117-I120 WeakPolarHBondContact O-CB 3.16Å; P117-I120 PolarHBondContact O-N 3.45Å; A118-I120 PolarHBondContact O-N 2.98Å; A118-I120 VanDerWaalsContact O-N 3.15Å; I120-N122 PolarHBondContact O-N 3.31Å; I120-R123 WeakPolarHBondContact O-CB 3.41Å; I120-R123 PolarHBondContact O-N 3.14Å; I120-W134 HydrophobicContact CG2-CH2 3.91Å; I120-W134 HydrophobicContact CG2-CZ2 4.35Å; I120-W134 HydrophobicContact CG2-CZ3 4.12Å; I120-L146 HydrophobicContact CD1-CB 3.74Å; I120-L146 HydrophobicContact CG1-CB 4.29Å; I120-L146 HydrophobicContact CG2-CB 4.44Å; I120-L146 HydrophobicContact CG2-CD1 3.85Å; I120-V147 HydrophobicContact CD1-CG2 3.59Å
121T76.4Confident80.8Confident39 Ų3972.6 Ų72.624%0.23941%0.406CS..Hα-helixtrans-73.2-28.5-170.154.80000113.8P117 A118 R123 W134 K143P117-T121 HydrophobicContact CB-CG2 4.36Å; P117-T121 PolarHBondContact O-N 2.94Å; P117-T121 PolarHBondContact O-OG1 2.91Å; A118-T121 WeakPolarHBondContact CA-OG1 3.27Å; A118-T121 PolarHBondContact O-N 2.92Å; T121-R123 PolarHBondContact O-N 3.4Å; T121-W134 HydrophobicContact CG2-CB 4.22Å; T121-W134 HydrophobicContact CG2-CD2 4.1Å; T121-W134 HydrophobicContact CG2-CG 3.86Å; T121-W134 PolarHBondContact O-NE1 3.31Å; T121-K143 HydrophobicContact CG2-CD 3.9Å
122N75.4Confident80.7Confident135 Ų13570.8 Ų70.872%0.72240%0.397SS*.THydrogen-bonded Turntrans-73.2-4.8178-66.5-11.1000113A118 I120A118-N122 WeakPolarHBondContact O-CB 3.42Å; A118-N122 PolarHBondContact O-N 3Å; A118-N122 PolarHBondContact O-ND2 3.24Å; I120-N122 PolarHBondContact O-N 3.31Å
123R74.3Confident80.8Confident82 Ų8277.7 Ų77.731%0.30943%0.429SS..SBendtrans-93.6131.3176.5-60.2177.5-178.5-157.8-11.3109.4G119 I120 T121 I125G119-R123 WeakPolarHBondContact O-CD 3.46Å; G119-R123 PolarHBondContact O-NE 3.23Å; I120-R123 WeakPolarHBondContact O-CB 3.41Å; I120-R123 PolarHBondContact O-N 3.14Å; T121-R123 PolarHBondContact O-N 3.4Å; R123-I125 HydrophobicContact CB-CG1 4.32Å; R123-I125 PolarHBondContact O-N 3.45Å
124S74.4Confident81Confident89 Ų8976.6 Ų76.662%0.62242%0.418SS*.  trans-72.793.5168.9-70.80000109.2
125I80.5Confident81.4Confident28 Ų2877.7 Ų77.714%0.14443%0.425CS..  trans-90.1119.3172.4-65.8168.5000107.3F88 R123 I127 V132 W134F88-I125 HydrophobicContact CE1-CD1 3.77Å; F88-I125 HydrophobicContact CZ-CD1 3.45Å; F88-I125 VanDerWaalsContact CZ-CD1 3.45Å; F88-I125 HydrophobicContact CZ-CG1 4.18Å; R123-I125 HydrophobicContact CB-CG1 4.32Å; R123-I125 PolarHBondContact O-N 3.45Å; I125-I127 HydrophobicContact CG2-CG1 4.37Å; I125-V132 HydrophobicContact CB-CG2 4.27Å; I125-V132 HydrophobicContact CG2-CG2 3.9Å; I125-V132 PolarHBondContact O-N 3.19Å; I125-W134 HydrophobicContact CB-CH2 4.34Å; I125-W134 HydrophobicContact CB-CZ2 4.04Å; I125-W134 HydrophobicContact CD1-CH2 3.49Å; I125-W134 VanDerWaalsContact CD1-CH2 3.49Å; I125-W134 HydrophobicContact CD1-CZ2 3.56Å; I125-W134 HydrophobicContact CG1-CH2 4.39Å; I125-W134 HydrophobicContact CG1-CZ2 4.12Å
126L84Confident81.9Confident107 Ų10771.9 Ų71.956%0.5640%0.397SS*.EExtended strand (participates in β ladder)trans-101.9125.4178-62.2175.6000109.7E130 K131L126-E130 CarbonylContact C-O 3.54Å; L126-E130 VanDerWaalsContact CA-O 3.24Å; L126-E130 WeakPolarHBondContact CA-O 3.33Å; L126-K131 HydrophobicContact CD2-CB 4.3Å; L126-K131 HydrophobicContact CD2-CG 3.49Å; L126-K131 VanDerWaalsContact CD2-CG 3.49Å
127I83.3Confident82.3Confident22 Ų2273.8 Ų73.811%0.11341%0.411CS..EExtended strand (participates in β ladder)trans-119.2124.8171.1-61.1178.9000107I125 G129 E130 V132 L142 L263 L266 M267I125-I127 HydrophobicContact CG2-CG1 4.37Å; I127-G129 PolarHBondContact O-N 3.22Å; I127-G129 VanDerWaalsContact O-N 3.09Å; I127-E130 PolarHBondContact N-O 2.57Å; I127-E130 PolarHBondContact O-N 3.15Å; I127-V132 HydrophobicContact CB-CG2 4.43Å; I127-V132 HydrophobicContact CD1-CG2 3.51Å; I127-V132 HydrophobicContact CG1-CG2 3.75Å; I127-L142 HydrophobicContact CD1-CD2 4.26Å; I127-L263 HydrophobicContact CD1-CD2 3.66Å; I127-L266 HydrophobicContact CD1-CB 4Å; I127-L266 HydrophobicContact CD1-CD1 3.62Å; I127-L266 HydrophobicContact CD1-CG 4.38Å; I127-L266 HydrophobicContact CG2-CB 4.09Å; I127-M267 HydrophobicContact CG2-CG 3.57Å
128N82.9Confident82.7Confident93 Ų9375.9 Ų75.950%0.49742%0.42SS..THydrogen-bonded Turntrans53.727-173.5-69.7-19.2000114.6E130 M267N128-E130 VanDerWaalsContact C-N 3.31Å; N128-M267 WeakPolarHBondContact ND2-CA 3.37Å; N128-M267 PolarHBondContact ND2-O 3.27Å
129G81.5Confident83.4Confident64 Ų6474.6 Ų74.666%0.6641%0.409SS*.THydrogen-bonded Turntrans87.6-4.8-178.700000114.4I127I127-G129 PolarHBondContact O-N 3.22Å; I127-G129 VanDerWaalsContact O-N 3.09Å
130E85.2Confident84.3Confident146 Ų14676.4 Ų76.468%0.68242%0.415SS*.EExtended strand (participates in β ladder)trans-105.5144.4-179.9-64.3-178.7174.100111.2L126 I127 N128L126-E130 CarbonylContact C-O 3.54Å; L126-E130 VanDerWaalsContact CA-O 3.24Å; L126-E130 WeakPolarHBondContact CA-O 3.33Å; I127-E130 PolarHBondContact N-O 2.57Å; I127-E130 PolarHBondContact O-N 3.15Å; N128-E130 VanDerWaalsContact C-N 3.31Å
131K87.4Confident85Confident145 Ų14578.3 Ų78.363%0.6343%0.431SS*.EExtended strand (participates in β ladder)trans-70.5135.7175.8-74-179.8176.5178.30109.6L126 E133L126-K131 HydrophobicContact CD2-CB 4.3Å; L126-K131 HydrophobicContact CD2-CG 3.49Å; L126-K131 VanDerWaalsContact CD2-CG 3.49Å; K131-E133 PolarHBondContact O-N 3.37Å
132V87.3Confident85.8Confident18 Ų1876.7 Ų76.711%0.10942%0.421CS..  trans-64122.8173.8178.30000110I125 I127 W134 L142I125-V132 HydrophobicContact CB-CG2 4.27Å; I125-V132 HydrophobicContact CG2-CG2 3.9Å; I125-V132 PolarHBondContact O-N 3.19Å; I127-V132 HydrophobicContact CB-CG2 4.43Å; I127-V132 HydrophobicContact CD1-CG2 3.51Å; I127-V132 HydrophobicContact CG1-CG2 3.75Å; V132-W134 HydrophobicContact CB-CH2 4.26Å; V132-W134 HydrophobicContact CB-CZ2 4.17Å; V132-W134 HydrophobicContact CG1-CD2 4.09Å; V132-W134 HydrophobicContact CG1-CE3 3.82Å; V132-W134 HydrophobicContact CG1-CH2 4.05Å; V132-W134 HydrophobicContact CG1-CZ2 4.3Å; V132-W134 HydrophobicContact CG1-CZ3 3.81Å; V132-W134 PolarHBondContact O-N 3.05Å; V132-L142 HydrophobicContact CG1-CD2 4.29Å; V132-L142 HydrophobicContact CG2-CD2 4.48Å
133E89.2Confident86.5Confident148 Ų14872.5 Ų72.569%0.69240%0.397SS*.  trans-7898.2170.3-65.3-175.2170.400110.1K131 D135 S136 G139K131-E133 PolarHBondContact O-N 3.37Å; E133-D135 PolarHBondContact O-N 3.22Å; E133-S136 WeakPolarHBondContact O-CB 3.47Å; E133-S136 PolarHBondContact O-N 3Å; E133-S136 PolarHBondContact O-OG 3.41Å; E133-G139 WeakPolarHBondContact O-CA 3.43Å
134W88.7Confident87.4Confident33 Ų3372 Ų7213%0.12540%0.4CS..THydrogen-bonded Turntrans-63.6-24.5-174.2-64.6118.5000114.9I120 T121 I125 V132 G139 T140 L142 K143I120-W134 HydrophobicContact CG2-CH2 3.91Å; I120-W134 HydrophobicContact CG2-CZ2 4.35Å; I120-W134 HydrophobicContact CG2-CZ3 4.12Å; T121-W134 HydrophobicContact CG2-CB 4.22Å; T121-W134 HydrophobicContact CG2-CD2 4.1Å; T121-W134 HydrophobicContact CG2-CG 3.86Å; T121-W134 PolarHBondContact O-NE1 3.31Å; I125-W134 HydrophobicContact CB-CH2 4.34Å; I125-W134 HydrophobicContact CB-CZ2 4.04Å; I125-W134 HydrophobicContact CD1-CH2 3.49Å; I125-W134 VanDerWaalsContact CD1-CH2 3.49Å; I125-W134 HydrophobicContact CD1-CZ2 3.56Å; I125-W134 HydrophobicContact CG1-CH2 4.39Å; I125-W134 HydrophobicContact CG1-CZ2 4.12Å; V132-W134 HydrophobicContact CB-CH2 4.26Å; V132-W134 HydrophobicContact CB-CZ2 4.17Å; V132-W134 HydrophobicContact CG1-CD2 4.09Å; V132-W134 HydrophobicContact CG1-CE3 3.82Å; V132-W134 HydrophobicContact CG1-CH2 4.05Å; V132-W134 HydrophobicContact CG1-CZ2 4.3Å; V132-W134 HydrophobicContact CG1-CZ3 3.81Å; V132-W134 PolarHBondContact O-N 3.05Å; W134-G139 CarbonylContact O-C 3.57Å; W134-T140 PolarHBondContact O-N 2.77Å; W134-T140 PolarHBondContact O-OG1 2.66Å; W134-L142 HydrophobicContact CH2-CD2 4.36Å; W134-L142 HydrophobicContact CZ3-CB 4.49Å; W134-L142 HydrophobicContact CZ3-CD2 4.11Å; W134-L142 HydrophobicContact CZ3-CG 4.27Å; W134-K143 HydrophobicContact CE3-CB 4.21Å; W134-K143 HydrophobicContact CZ3-CB 4.47Å
135D88.6Confident88.3Confident150 Ų15067.8 Ų67.880%0.80237%0.37SS*.THydrogen-bonded Turntrans-89.1-8.3-178.8-57.8-39.6000112.8E133E133-D135 PolarHBondContact O-N 3.22Å
136S91.3Very high88.9Confident37 Ų3766.5 Ų66.526%0.25936%0.364SS..SBendtrans-67.5160.317172.60000111.1E133 I138 G139 T140E133-S136 WeakPolarHBondContact O-CB 3.47Å; E133-S136 PolarHBondContact O-N 3Å; E133-S136 PolarHBondContact O-OG 3.41Å; S136-I138 VanDerWaalsContact C-N 3.26Å; S136-I138 PolarHBondContact O-N 2.99Å; S136-G139 PolarHBondContact O-N 2.96Å; S136-G139 PolarHBondContact OG-N 2.84Å; S136-T140 WeakPolarHBondContact O-CB 3.32Å; S136-T140 PolarHBondContact O-N 3.06Å; S136-T140 PolarHBondContact O-OG1 3.29Å; S136-T140 VanDerWaalsContact O-OG1 3.05Å
137V91.7Very high89.4Confident131 Ų13161.9 Ų61.979%0.79434%0.34SS*.Hα-helixtrans-56.8-43.7176.2179.40000110.8A141V137-A141 PolarHBondContact O-N 3.14Å
138I88.8Confident90Very high75 Ų7561.2 Ų61.239%0.38534%0.336SS..Hα-helixtrans-74.6-37.4-178.2-53.5179.1000110.8S136 A141 L142 T262 L266S136-I138 VanDerWaalsContact C-N 3.26Å; S136-I138 PolarHBondContact O-N 2.99Å; I138-A141 PolarHBondContact O-N 2.78Å; I138-L142 PolarHBondContact O-N 2.68Å; I138-T262 HydrophobicContact CG2-CG2 3.6Å; I138-T262 WeakPolarHBondContact O-CG2 3.4Å; I138-L266 HydrophobicContact CB-CD2 4.07Å; I138-L266 HydrophobicContact CG2-CD1 3.94Å; I138-L266 HydrophobicContact CG2-CD2 3.37Å; I138-L266 HydrophobicContact CG2-CG 3.47Å; I138-L266 VanDerWaalsContact CG2-CG 3.47Å
139G90.4Very high90.6Very high0 Ų057.9 Ų57.90%032%0.321CS..Hα-helixtrans-64.1-39.3173.700000112.8E133 W134 S136 L142 K143E133-G139 WeakPolarHBondContact O-CA 3.43Å; W134-G139 CarbonylContact O-C 3.57Å; S136-G139 PolarHBondContact O-N 2.96Å; S136-G139 PolarHBondContact OG-N 2.84Å; G139-L142 PolarHBondContact O-N 3.32Å; G139-K143 VanDerWaalsContact O-CB 3.3Å; G139-K143 WeakPolarHBondContact O-CB 3.36Å; G139-K143 PolarHBondContact O-N 2.88Å
140T91.3Very high91.3Very high62 Ų6258.4 Ų58.438%0.3831%0.312SS..Hα-helixtrans-66.3-41.5174.6-63.40000111.2W134 S136 L142 K143 D144W134-T140 PolarHBondContact O-N 2.77Å; W134-T140 PolarHBondContact O-OG1 2.66Å; S136-T140 WeakPolarHBondContact O-CB 3.32Å; S136-T140 PolarHBondContact O-N 3.06Å; S136-T140 PolarHBondContact O-OG1 3.29Å; S136-T140 VanDerWaalsContact O-OG1 3.05Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 PolarHBondContact O-N 3.08Å; T140-K143 PolarHBondContact O-N 2.88Å; T140-D144 PolarHBondContact O-N 2.97Å
141A92.8Very high91.9Very high40 Ų4055.1 Ų55.133%0.33130%0.297SS..Hα-helixtrans-63-39.1173.800000112.3V137 I138 A145 T262V137-A141 PolarHBondContact O-N 3.14Å; I138-A141 PolarHBondContact O-N 2.78Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 2.77Å; A141-A145 VanDerWaalsContact O-N 3.08Å; A141-T262 HydrophobicContact CB-CG2 4.49Å
142L92.3Very high92.4Very high6 Ų648.2 Ų48.23%0.03127%0.267CS..Hα-helixtrans-66.4-45.1174.7-175.158.4000111.2I127 V132 W134 I138 G139 T140 D144 A145 L146 R259 T262 L263 L266I127-L142 HydrophobicContact CD1-CD2 4.26Å; V132-L142 HydrophobicContact CG1-CD2 4.29Å; V132-L142 HydrophobicContact CG2-CD2 4.48Å; W134-L142 HydrophobicContact CH2-CD2 4.36Å; W134-L142 HydrophobicContact CZ3-CB 4.49Å; W134-L142 HydrophobicContact CZ3-CD2 4.11Å; W134-L142 HydrophobicContact CZ3-CG 4.27Å; I138-L142 PolarHBondContact O-N 2.68Å; G139-L142 PolarHBondContact O-N 3.32Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 PolarHBondContact O-N 3.08Å; L142-D144 PolarHBondContact O-N 2.97Å; L142-A145 PolarHBondContact O-N 3.49Å; L142-L146 HydrophobicContact CD1-CD1 4.31Å; L142-L146 HydrophobicContact CD1-CG 4.38Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 VanDerWaalsContact O-CG 3.29Å; L142-L146 WeakPolarHBondContact O-CG 3.16Å; L142-L146 PolarHBondContact O-N 3.47Å; L142-L146 VanDerWaalsContact O-N 3.13Å; L142-R259 HydrophobicContact CD1-CG 3.81Å; L142-T262 HydrophobicContact CB-CG2 3.7Å; L142-T262 HydrophobicContact CD1-CG2 4.28Å; L142-T262 HydrophobicContact CG-CG2 4.5Å; L142-L263 HydrophobicContact CD1-CD2 4.35Å; L142-L263 HydrophobicContact CD1-CG 4.39Å; L142-L263 HydrophobicContact CD2-CD2 4.48Å; L142-L266 HydrophobicContact CD2-CD1 3.84Å
143K91.2Very high92.8Very high47 Ų4747.4 Ų47.420%0.20426%0.262CS..Hα-helixtrans-56.8-49.7177.6-177.2176.466-169.80110.7P117 T121 W134 G139 T140 A145 L146 V147P117-K143 HydrophobicContact CB-CD 3.98Å; P117-K143 HydrophobicContact CB-CG 4.18Å; P117-K143 HydrophobicContact CG-CD 4.28Å; T121-K143 HydrophobicContact CG2-CD 3.9Å; W134-K143 HydrophobicContact CE3-CB 4.21Å; W134-K143 HydrophobicContact CZ3-CB 4.47Å; G139-K143 VanDerWaalsContact O-CB 3.3Å; G139-K143 WeakPolarHBondContact O-CB 3.36Å; G139-K143 PolarHBondContact O-N 2.88Å; T140-K143 PolarHBondContact O-N 2.88Å; K143-A145 VanDerWaalsContact C-N 3.33Å; K143-A145 PolarHBondContact O-N 2.78Å; K143-L146 PolarHBondContact O-N 3.39Å; K143-L146 VanDerWaalsContact O-N 3.13Å; K143-V147 PolarHBondContact O-N 3.09Å
144D92.6Very high93.3Very high71 Ų7142.2 Ų42.238%0.3824%0.237SC..Hα-helixtrans-59.2-44.1175.8177.662.9000111.6T140 L142 L146 V147 K255T140-D144 PolarHBondContact O-N 2.97Å; L142-D144 PolarHBondContact O-N 2.97Å; D144-L146 PolarHBondContact O-N 2.83Å; D144-L146 VanDerWaalsContact O-N 3.13Å; D144-V147 PolarHBondContact O-N 3.23Å; D144-K255 PolarHBondContact O-NZ 3.35Å; D144-K255 IonicContact OD1-NZ 2.81Å; D144-K255 PolarHBondContact OD1-NZ 3.07Å; D144-K255 IonicContact OD2-NZ 3.83Å; D144-K255 PolarHBondContact OD2-NZ 3.17Å
145A93.9Very high93.7Very high0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-65.2-15.9179.500000114.3A141 L142 K143 R259A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 2.77Å; A141-A145 VanDerWaalsContact O-N 3.08Å; L142-A145 PolarHBondContact O-N 3.49Å; K143-A145 VanDerWaalsContact C-N 3.33Å; K143-A145 PolarHBondContact O-N 2.78Å; A145-R259 HydrophobicContact CB-CB 3.88Å
146L93.2Very high94.2Very high1 Ų133.5 Ų33.51%0.00519%0.193CC..Hα-helixtrans-98.4-10.3179-68.4177.3000113.9F88 N109 I120 L142 K143 D144 F148 R259F88-L146 HydrophobicContact CB-CD2 3.8Å; F88-L146 HydrophobicContact CD1-CD1 3.97Å; F88-L146 HydrophobicContact CD1-CD2 3.47Å; F88-L146 VanDerWaalsContact CD1-CD2 3.47Å; F88-L146 HydrophobicContact CD1-CG 4.29Å; F88-L146 HydrophobicContact CD2-CD2 4.25Å; F88-L146 HydrophobicContact CE1-CD1 3.68Å; F88-L146 HydrophobicContact CE1-CD2 4.06Å; F88-L146 HydrophobicContact CE1-CG 4.49Å; F88-L146 HydrophobicContact CG-CD2 3.58Å; F88-L146 HydrophobicContact CZ-CD1 4.2Å; N109-L146 PolarHBondContact ND2-O 2.91Å; I120-L146 HydrophobicContact CD1-CB 3.74Å; I120-L146 HydrophobicContact CG1-CB 4.29Å; I120-L146 HydrophobicContact CG2-CB 4.44Å; I120-L146 HydrophobicContact CG2-CD1 3.85Å; L142-L146 HydrophobicContact CD1-CD1 4.31Å; L142-L146 HydrophobicContact CD1-CG 4.38Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 VanDerWaalsContact O-CG 3.29Å; L142-L146 WeakPolarHBondContact O-CG 3.16Å; L142-L146 PolarHBondContact O-N 3.47Å; L142-L146 VanDerWaalsContact O-N 3.13Å; K143-L146 PolarHBondContact O-N 3.39Å; K143-L146 VanDerWaalsContact O-N 3.13Å; D144-L146 PolarHBondContact O-N 2.83Å; D144-L146 VanDerWaalsContact O-N 3.13Å; L146-F148 WeakPolarHBondContact O-CD2 3.46Å; L146-R259 HydrophobicContact CD2-CG 4.12Å
147V94.3Very high94.5Very high11 Ų1131.8 Ų31.87%0.06718%0.181CC..  trans-90.7122.9172.8178.70000109L114 I120 K143 D144 K255L114-V147 HydrophobicContact CD2-CB 4.43Å; L114-V147 HydrophobicContact CD2-CG1 4.06Å; L114-V147 HydrophobicContact CG-CG1 4.22Å; I120-V147 HydrophobicContact CD1-CG2 3.59Å; K143-V147 PolarHBondContact O-N 3.09Å; D144-V147 PolarHBondContact O-N 3.23Å; V147-K255 WeakPolarHBondContact O-CE 3.49Å
148F95Very high94.8Very high7 Ų725.5 Ų25.53%0.03114%0.143CC..  trans-116.1139.8-178.4-68.6-91.6000110.4F110 L146 A152 Q153 F252 K255F110-F148 HydrophobicContact CD1-CD2 4.18Å; F110-F148 AromaticContact CE1-CD2 3.72Å; F110-F148 HydrophobicContact CE1-CD2 3.72Å; F110-F148 HydrophobicContact CE1-CE2 4.1Å; F110-F148 HydrophobicContact CE1-CG 4.2Å; L146-F148 WeakPolarHBondContact O-CD2 3.46Å; F148-A152 HydrophobicContact CB-CB 4.15Å; F148-A152 HydrophobicContact CD1-CB 3.99Å; F148-Q153 HydrophobicContact CB-CG 3.81Å; F148-Q153 PolarHBondContact O-NE2 2.94Å; F148-F252 HydrophobicContact CD1-CD2 4.06Å; F148-F252 AromaticContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CE2 4.23Å; F148-F252 HydrophobicContact CE1-CG 4.42Å; F148-F252 HydrophobicContact CZ-CD2 4.36Å; F148-K255 HydrophobicContact CD1-CB 4.08Å; F148-K255 HydrophobicContact CD1-CG 4.26Å; F148-K255 HydrophobicContact CE1-CB 3.48Å; F148-K255 VanDerWaalsContact CE1-CB 3.48Å; F148-K255 HydrophobicContact CE1-CG 4.17Å; F148-K255 HydrophobicContact CZ-CB 3.95Å
149S95.9Very high95.3Very high24 Ų2423 Ų2317%0.16813%0.129CC..  trans-61.1158.4169.170.30000112.1E151 A152 Q153 E251S149-E151 WeakPolarHBondContact CB-OE2 3.24Å; S149-E151 PolarHBondContact O-N 3.36Å; S149-E151 PolarHBondContact OG-OE2 3.44Å; S149-A152 PolarHBondContact O-N 3.25Å; S149-A152 VanDerWaalsContact O-N 3.14Å; S149-A152 WeakPolarHBondContact OG-CB 3.26Å; S149-A152 PolarHBondContact OG-N 2.87Å; S149-A152 VanDerWaalsContact OG-N 3.07Å; S149-Q153 VanDerWaalsContact O-CG 3.27Å; S149-Q153 WeakPolarHBondContact O-CG 3.15Å; S149-Q153 PolarHBondContact O-N 3.33Å; S149-E251 VanDerWaalsContact CB-OE1 3.31Å; S149-E251 WeakPolarHBondContact CB-OE1 3.42Å; S149-E251 WeakPolarHBondContact CB-OE2 3.36Å; S149-E251 PolarHBondContact N-OE1 3.39Å; S149-E251 PolarHBondContact OG-OE1 3.23Å; S149-E251 PolarHBondContact OG-OE2 3.05Å
150P96Very high95.6Very high74 Ų7423.5 Ų23.548%0.48113%0.131SC..Hα-helixtrans-53-36.5172.6-26.435.9000113.2Q153 K154P150-Q153 PolarHBondContact O-N 2.96Å; P150-K154 WeakPolarHBondContact O-CB 3.4Å; P150-K154 WeakPolarHBondContact O-CG 3.44Å; P150-K154 PolarHBondContact O-N 3.36Å
151E97.4Very high96Very high77 Ų7720.6 Ų20.636%0.3611%0.113SC..Hα-helixtrans-66.7-44.5178.2-65.675.7-162.100111.8S149 Q153 K154 F155 I244S149-E151 WeakPolarHBondContact CB-OE2 3.24Å; S149-E151 PolarHBondContact O-N 3.36Å; S149-E151 PolarHBondContact OG-OE2 3.44Å; E151-Q153 VanDerWaalsContact C-N 3.34Å; E151-K154 PolarHBondContact O-N 3.06Å; E151-F155 PolarHBondContact O-N 3.33Å; E151-I244 HydrophobicContact CB-CG2 4.14Å; E151-I244 HydrophobicContact CG-CG2 3.36Å
152A97.9Very high96.2Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-66.5-37.3176.700000111.9F148 S149 F155 A156 G248 E251 F252F148-A152 HydrophobicContact CB-CB 4.15Å; F148-A152 HydrophobicContact CD1-CB 3.99Å; S149-A152 PolarHBondContact O-N 3.25Å; S149-A152 VanDerWaalsContact O-N 3.14Å; S149-A152 WeakPolarHBondContact OG-CB 3.26Å; S149-A152 PolarHBondContact OG-N 2.87Å; S149-A152 VanDerWaalsContact OG-N 3.07Å; A152-F155 PolarHBondContact O-N 2.9Å; A152-A156 VanDerWaalsContact O-CB 3.28Å; A152-A156 WeakPolarHBondContact O-CB 3.45Å; A152-A156 PolarHBondContact O-N 3.49Å; A152-G248 WeakPolarHBondContact CA-O 3.4Å; A152-G248 WeakPolarHBondContact CB-O 3.5Å; A152-E251 HydrophobicContact CB-CB 4.18Å; A152-E251 HydrophobicContact CB-CG 4.2Å; A152-F252 HydrophobicContact CB-CB 4.24Å
153Q97.6Very high96.4Very high2 Ų220.6 Ų20.61%0.00911%0.106CC..Hα-helixtrans-63.7-46174.3-65.9178.222.900111.5L64 F110 F148 S149 P150 E151 A156 V157L64-Q153 HydrophobicContact CD1-CB 3.61Å; F110-Q153 HydrophobicContact CB-CG 4.14Å; F110-Q153 HydrophobicContact CD1-CG 4.19Å; F110-Q153 HydrophobicContact CD2-CB 3.7Å; F110-Q153 HydrophobicContact CD2-CG 3.54Å; F110-Q153 HydrophobicContact CE1-CG 4.45Å; F110-Q153 HydrophobicContact CE2-CB 3.79Å; F110-Q153 HydrophobicContact CE2-CG 3.84Å; F110-Q153 HydrophobicContact CG-CB 4.39Å; F110-Q153 HydrophobicContact CG-CG 3.72Å; F110-Q153 HydrophobicContact CZ-CG 4.28Å; F110-Q153 PolarHBondContact O-NE2 2.96Å; F110-Q153 PolarHBondContact O-OE1 3.33Å; F148-Q153 HydrophobicContact CB-CG 3.81Å; F148-Q153 PolarHBondContact O-NE2 2.94Å; S149-Q153 VanDerWaalsContact O-CG 3.27Å; S149-Q153 WeakPolarHBondContact O-CG 3.15Å; S149-Q153 PolarHBondContact O-N 3.33Å; P150-Q153 PolarHBondContact O-N 2.96Å; E151-Q153 VanDerWaalsContact C-N 3.34Å; Q153-A156 PolarHBondContact O-N 3.38Å; Q153-V157 WeakPolarHBondContact O-CG2 3.35Å; Q153-V157 PolarHBondContact O-N 3.28Å
154K98.1Very high96.7Very high39 Ų3918.4 Ų18.417%0.1710%0.096CC..Hα-helixtrans-58.1-48.7175-78.7-179.6179.8-173.60111.8L64 V68 P150 E151 A156 V157 A158 Y245L64-K154 HydrophobicContact CD1-CG 4.16Å; L64-K154 HydrophobicContact CG-CG 4.1Å; V68-K154 HydrophobicContact CG2-CB 4.17Å; V68-K154 HydrophobicContact CG2-CG 4.13Å; P150-K154 WeakPolarHBondContact O-CB 3.4Å; P150-K154 WeakPolarHBondContact O-CG 3.44Å; P150-K154 PolarHBondContact O-N 3.36Å; E151-K154 PolarHBondContact O-N 3.06Å; K154-A156 VanDerWaalsContact C-N 3.34Å; K154-A156 PolarHBondContact O-N 2.84Å; K154-V157 PolarHBondContact O-N 3.23Å; K154-A158 VanDerWaalsContact O-CB 3.27Å; K154-A158 WeakPolarHBondContact O-CB 3.44Å; K154-A158 PolarHBondContact O-N 3.41Å; K154-Y245 HydrophobicContact CB-CD1 4.22Å; K154-Y245 HydrophobicContact CB-CE1 3.64Å
155F98.6Very high96.8Very high0 Ų017.2 Ų17.20%09%0.088CC..Hα-helixtrans-57.7-46.5175.3174.2-91.5000112.2E151 A152 V157 A158 R159 D235 A238 A239 Y245 F252 Y253 I301E151-F155 PolarHBondContact O-N 3.33Å; A152-F155 PolarHBondContact O-N 2.9Å; F155-V157 VanDerWaalsContact C-N 3.3Å; F155-V157 PolarHBondContact O-N 3.15Å; F155-A158 PolarHBondContact O-N 2.96Å; F155-R159 WeakPolarHBondContact O-CG 3.43Å; F155-R159 PolarHBondContact O-N 2.76Å; F155-D235 HydrophobicContact CZ-CB 4.23Å; F155-A238 HydrophobicContact CD2-CB 3.88Å; F155-A238 HydrophobicContact CE2-CB 3.74Å; F155-A239 HydrophobicContact CE2-CB 3.99Å; F155-Y245 WeakPolarHBondContact CD2-O 3.15Å; F155-F252 HydrophobicContact CD1-CB 3.95Å; F155-F252 AromaticContact CD1-CD1 3.91Å; F155-F252 HydrophobicContact CD1-CD1 3.91Å; F155-F252 HydrophobicContact CD1-CG 4.02Å; F155-F252 HydrophobicContact CE1-CB 4.41Å; F155-F252 AromaticContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CE1 4.31Å; F155-F252 HydrophobicContact CE1-CG 4.29Å; F155-Y253 AromaticContact CE1-CE2 3.92Å; F155-Y253 HydrophobicContact CE1-CE2 3.92Å; F155-Y253 HydrophobicContact CZ-CE2 4.04Å; F155-I301 HydrophobicContact CE1-CD1 4.27Å; F155-I301 HydrophobicContact CE2-CD1 3.77Å; F155-I301 HydrophobicContact CZ-CD1 3.43Å; F155-I301 VanDerWaalsContact CZ-CD1 3.43Å
156A98.1Very high96.9Very high0 Ų019.3 Ų19.30%010%0.101CC..Hα-helixtrans-61.6-37.2-177.600000112.8P90 F110 A152 Q153 K154 R159 F252P90-A156 HydrophobicContact CG-CB 3.78Å; F110-A156 HydrophobicContact CE2-CB 4.06Å; F110-A156 HydrophobicContact CZ-CB 3.84Å; A152-A156 VanDerWaalsContact O-CB 3.28Å; A152-A156 WeakPolarHBondContact O-CB 3.45Å; A152-A156 PolarHBondContact O-N 3.49Å; Q153-A156 PolarHBondContact O-N 3.38Å; K154-A156 VanDerWaalsContact C-N 3.34Å; K154-A156 PolarHBondContact O-N 2.84Å; A156-R159 WeakPolarHBondContact O-CG 3.08Å; A156-F252 HydrophobicContact CB-CD2 3.61Å; A156-F252 HydrophobicContact CB-CE2 3.38Å; A156-F252 HydrophobicContact CB-CG 4.39Å; A156-F252 HydrophobicContact CB-CZ 4Å
157V98.4Very high97Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-75.8-43.4174.8177.40000110.7L64 F65 V68 P90 I106 F110 Q153 K154 F155 R159 E160 V161L64-V157 HydrophobicContact CD2-CB 4.16Å; L64-V157 HydrophobicContact CD2-CG2 3.71Å; F65-V157 HydrophobicContact CD2-CG1 3.95Å; V68-V157 HydrophobicContact CB-CG1 4.21Å; V68-V157 HydrophobicContact CG1-CB 4.38Å; V68-V157 HydrophobicContact CG1-CG1 3.94Å; V68-V157 HydrophobicContact CG2-CB 4.31Å; V68-V157 HydrophobicContact CG2-CG1 4.34Å; P90-V157 HydrophobicContact CG-CG2 4.25Å; I106-V157 HydrophobicContact CD1-CG2 4.19Å; I106-V157 HydrophobicContact CG1-CG2 4.24Å; F110-V157 HydrophobicContact CE2-CG2 4.42Å; Q153-V157 WeakPolarHBondContact O-CG2 3.35Å; Q153-V157 PolarHBondContact O-N 3.28Å; K154-V157 PolarHBondContact O-N 3.23Å; F155-V157 VanDerWaalsContact C-N 3.3Å; F155-V157 PolarHBondContact O-N 3.15Å; V157-R159 VanDerWaalsContact C-N 3.34Å; V157-R159 PolarHBondContact O-N 3.43Å; V157-E160 WeakPolarHBondContact O-CB 3.45Å; V157-E160 PolarHBondContact O-N 3.13Å; V157-V161 HydrophobicContact CG1-CG2 4.44Å; V157-V161 PolarHBondContact O-N 2.82Å
158A98.4Very high97.1Very high0 Ų018.9 Ų18.90%010%0.099CC..Hα-helixtrans-62.1-37.4-178.900000113.3V68 K154 F155 E160 V161 A162 A238 L241 Y245V68-A158 HydrophobicContact CG1-CB 3.72Å; K154-A158 VanDerWaalsContact O-CB 3.27Å; K154-A158 WeakPolarHBondContact O-CB 3.44Å; K154-A158 PolarHBondContact O-N 3.41Å; F155-A158 PolarHBondContact O-N 2.96Å; A158-E160 PolarHBondContact O-N 2.92Å; A158-V161 PolarHBondContact O-N 3.23Å; A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 2.87Å; A158-A238 HydrophobicContact CB-CB 3.83Å; A158-L241 HydrophobicContact CB-CD1 3.91Å; A158-Y245 HydrophobicContact CB-CD1 3.86Å; A158-Y245 HydrophobicContact CB-CE1 3.61Å
159R97.8Very high97.1Very high23 Ų2318.6 Ų18.69%0.08710%0.098CC..Hα-helixtrans-63.4-33.5174.664.7178.4-69.4-86-4.7111.8F155 A156 V157 R163 D231 S234 D235 A238 Y253F155-R159 WeakPolarHBondContact O-CG 3.43Å; F155-R159 PolarHBondContact O-N 2.76Å; A156-R159 WeakPolarHBondContact O-CG 3.08Å; V157-R159 VanDerWaalsContact C-N 3.34Å; V157-R159 PolarHBondContact O-N 3.43Å; R159-R163 WeakPolarHBondContact O-CB 3.31Å; R159-R163 PolarHBondContact O-N 3.04Å; R159-D231 IonicContact NH2-OD1 3.49Å; R159-S234 VanDerWaalsContact O-CB 3.31Å; R159-S234 WeakPolarHBondContact O-CB 3.09Å; R159-D235 IonicContact NE-OD1 2.75Å; R159-D235 PolarHBondContact NE-OD1 3.46Å; R159-D235 VanDerWaalsContact NE-OD1 3.08Å; R159-A238 HydrophobicContact CB-CB 3.91Å; R159-Y253 PolarHBondContact NE-OH 2.95Å
160E97.6Very high97.2Very high10 Ų1019.7 Ų19.75%0.04710%0.103CC..Hα-helixtrans-74.4-41.7178.3-161.657.6-156.600111.4G92 I104 V157 A158 A162 R163 L164G92-E160 WeakPolarHBondContact CA-OE1 3.38Å; G92-E160 PolarHBondContact N-OE1 2.99Å; I104-E160 HydrophobicContact CD1-CB 4.43Å; I104-E160 HydrophobicContact CD1-CG 4.43Å; I104-E160 HydrophobicContact CG1-CG 4.21Å; I104-E160 HydrophobicContact CG2-CB 4.5Å; I104-E160 HydrophobicContact CG2-CG 4.3Å; V157-E160 WeakPolarHBondContact O-CB 3.45Å; V157-E160 PolarHBondContact O-N 3.13Å; A158-E160 PolarHBondContact O-N 2.92Å; E160-A162 PolarHBondContact O-N 2.92Å; E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 2.8Å; E160-R163 IonicContact OE1-CZ 3.94Å; E160-R163 IonicContact OE1-NE 2.91Å; E160-R163 PolarHBondContact OE1-NE 3.35Å; E160-R163 IonicContact OE1-NH2 3.78Å; E160-R163 PolarHBondContact OE1-NH2 3.5Å; E160-R163 IonicContact OE2-NE 2.78Å; E160-R163 PolarHBondContact OE2-NE 3.34Å; E160-L164 WeakPolarHBondContact O-CG 3.28Å; E160-L164 PolarHBondContact O-N 2.91Å; E160-L164 VanDerWaalsContact O-N 3.09Å
161V98.2Very high97.2Very high1 Ų119.5 Ų19.51%0.00610%0.098CC..Hα-helixtrans-55.5-51.1169.4175.10000110.3V68 L69 V74 Y80 I104 V157 A158 R163 L164 E165V68-V161 HydrophobicContact CG1-CG2 4.14Å; L69-V161 HydrophobicContact CD2-CG1 4.1Å; L69-V161 HydrophobicContact CD2-CG2 3.89Å; V74-V161 HydrophobicContact CG1-CG1 3.52Å; Y80-V161 HydrophobicContact CE1-CG1 4.14Å; I104-V161 HydrophobicContact CD1-CB 4.3Å; I104-V161 HydrophobicContact CD1-CG2 3.4Å; V157-V161 HydrophobicContact CG1-CG2 4.44Å; V157-V161 PolarHBondContact O-N 2.82Å; A158-V161 PolarHBondContact O-N 3.23Å; V161-R163 VanDerWaalsContact C-N 3.28Å; V161-R163 PolarHBondContact O-N 3.48Å; V161-L164 PolarHBondContact O-N 3.4Å; V161-L164 VanDerWaalsContact O-N 3.15Å; V161-E165 WeakPolarHBondContact O-CB 3.49Å; V161-E165 PolarHBondContact O-N 3.49Å
162A97.8Very high97.1Very high7 Ų717.9 Ų17.96%0.0589%0.092CC..Hα-helixtrans-59.9-36179.500000113.3A158 E160 V166 R237A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 2.87Å; E160-A162 PolarHBondContact O-N 2.92Å; A162-V166 WeakPolarHBondContact O-CG1 3.4Å; A162-V166 PolarHBondContact O-N 3.42Å; A162-R237 HydrophobicContact CB-CB 3.92Å; A162-R237 HydrophobicContact CB-CG 4.03Å
163R96.9Very high97Very high39 Ų3918 Ų1815%0.1479%0.092CC..Hα-helixtrans-67.4-39.6177.1-170.7-173.573.781.52.7112G92 R159 E160 V161 V166 G168G92-R163 VanDerWaalsContact C-NH2 3.34Å; G92-R163 PolarHBondContact O-NH2 3.3Å; R159-R163 WeakPolarHBondContact O-CB 3.31Å; R159-R163 PolarHBondContact O-N 3.04Å; E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 2.8Å; E160-R163 IonicContact OE1-CZ 3.94Å; E160-R163 IonicContact OE1-NE 2.91Å; E160-R163 PolarHBondContact OE1-NE 3.35Å; E160-R163 IonicContact OE1-NH2 3.78Å; E160-R163 PolarHBondContact OE1-NH2 3.5Å; E160-R163 IonicContact OE2-NE 2.78Å; E160-R163 PolarHBondContact OE2-NE 3.34Å; V161-R163 VanDerWaalsContact C-N 3.28Å; V161-R163 PolarHBondContact O-N 3.48Å; R163-V166 WeakPolarHBondContact O-CG1 3.24Å; R163-G168 WeakPolarHBondContact O-CA 3.41Å; R163-G168 PolarHBondContact O-N 3.46Å
164L96.9Very high97Very high0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-75.1-40.5178.1-63.7176.1000111.3Y80 A102 I104 E160 V161 V166 G167 P169Y80-L164 HydrophobicContact CE1-CB 4.19Å; Y80-L164 HydrophobicContact CE1-CD1 4.49Å; A102-L164 HydrophobicContact CB-CB 4.41Å; A102-L164 HydrophobicContact CB-CD1 3.76Å; I104-L164 HydrophobicContact CD1-CD1 4.09Å; I104-L164 HydrophobicContact CG1-CD1 3.78Å; E160-L164 WeakPolarHBondContact O-CG 3.28Å; E160-L164 PolarHBondContact O-N 2.91Å; E160-L164 VanDerWaalsContact O-N 3.09Å; V161-L164 PolarHBondContact O-N 3.4Å; V161-L164 VanDerWaalsContact O-N 3.15Å; L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 PolarHBondContact O-N 2.87Å; L164-G167 PolarHBondContact O-N 3.49Å; L164-P169 HydrophobicContact CD2-CG 3.78Å
165E95.6Very high96.9Very high46 Ų4618.1 Ų18.122%0.21510%0.101CC..Hα-helixtrans-60.1-38.6179.1-172.168.2-179.100112.6G75 Y80 V161 G167G75-E165 PolarHBondContact N-OE1 3.4Å; Y80-E165 WeakPolarHBondContact OH-CA 3.4Å; Y80-E165 WeakPolarHBondContact OH-CB 3.23Å; Y80-E165 PolarHBondContact OH-N 2.87Å; Y80-E165 PolarHBondContact OH-OE2 3.5Å; V161-E165 WeakPolarHBondContact O-CB 3.49Å; V161-E165 PolarHBondContact O-N 3.49Å; E165-G167 PolarHBondContact O-N 3.3Å
166V94.7Very high96.8Very high44 Ų4418.8 Ų18.827%0.26711%0.107SC..THydrogen-bonded Turntrans-78.52.2176.976.10000113.1A162 R163 L164 W229 L230A162-V166 WeakPolarHBondContact O-CG1 3.4Å; A162-V166 PolarHBondContact O-N 3.42Å; R163-V166 WeakPolarHBondContact O-CG1 3.24Å; L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 PolarHBondContact O-N 2.87Å; V166-W229 HydrophobicContact CG2-CH2 3.92Å; V166-W229 HydrophobicContact CG2-CZ3 4.4Å; V166-L230 HydrophobicContact CG1-CD2 3.64Å
167G95.4Very high96.7Very high3 Ų319.6 Ų19.63%0.03111%0.112CC..THydrogen-bonded Turntrans74.731.4-177.700000114.3W97 L164 E165 P169 V170 L171W97-G167 VanDerWaalsContact CH2-CA 3.46Å; L164-G167 PolarHBondContact O-N 3.49Å; E165-G167 PolarHBondContact O-N 3.3Å; G167-P169 VanDerWaalsContact C-N 3.3Å; G167-V170 PolarHBondContact O-N 3.39Å; G167-L171 PolarHBondContact O-N 3.47Å
168G96.2Very high96.6Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-48.1-44.3179.800000114.6R163 N172R163-G168 WeakPolarHBondContact O-CA 3.41Å; R163-G168 PolarHBondContact O-N 3.46Å; G168-N172 WeakPolarHBondContact O-CB 3.5Å; G168-N172 PolarHBondContact O-N 2.95Å; G168-N172 PolarHBondContact O-ND2 3.37Å
169P95.8Very high96.5Very high2 Ų226.7 Ų26.71%0.01314%0.144CC..Hα-helixtrans-53.5-49.9170.5-36.744.9000114.9H35 G94 V95 L164 G167 N172 A173H35-P169 HydrophobicContact CB-CB 4.21Å; G94-P169 WeakPolarHBondContact O-CG 3.13Å; V95-P169 HydrophobicContact CG2-CB 4.44Å; L164-P169 HydrophobicContact CD2-CG 3.78Å; G167-P169 VanDerWaalsContact C-N 3.3Å; P169-N172 PolarHBondContact O-N 2.93Å; P169-A173 WeakPolarHBondContact O-CB 3.31Å; P169-A173 PolarHBondContact O-N 2.9Å
170V97.2Very high96.3Very high46 Ų4628.7 Ų28.728%0.27916%0.155SC..Hα-helixtrans-66.3-44.7-178.8178.10000110.9F28 M32 V95 W97 G167 N172 A173 A174F28-V170 HydrophobicContact CE2-CG1 4.47Å; F28-V170 HydrophobicContact CZ-CG1 4.26Å; M32-V170 HydrophobicContact CE-CG2 3.88Å; M32-V170 HydrophobicContact SD-CG2 4.22Å; V95-V170 HydrophobicContact CG2-CG2 3.96Å; W97-V170 HydrophobicContact CZ2-CG2 4.35Å; G167-V170 PolarHBondContact O-N 3.39Å; V170-N172 PolarHBondContact O-N 3.48Å; V170-A173 PolarHBondContact O-N 2.81Å; V170-A174 WeakPolarHBondContact O-CB 3.27Å; V170-A174 PolarHBondContact O-N 2.97Å
171L96.9Very high96.1Very high70 Ų7029.9 Ų29.937%0.36617%0.167SC..Hα-helixtrans-61.5-44.3178.7-70.5173.7000111.6G167 A174 V175 V226 W229 L230G167-L171 PolarHBondContact O-N 3.47Å; L171-A174 PolarHBondContact O-N 3.22Å; L171-V175 WeakPolarHBondContact O-CG2 3.43Å; L171-V226 HydrophobicContact CB-CG1 4.23Å; L171-W229 HydrophobicContact CD1-CH2 4.3Å; L171-W229 HydrophobicContact CD1-CZ3 3.67Å; L171-L230 HydrophobicContact CD1-CD2 4.09Å
172N95.1Very high95.9Very high43 Ų4330.7 Ų30.723%0.2318%0.175CC..Hα-helixtrans-63.5-43.6174.4-78.3-50.3000111.9G168 P169 V170 A174 V175 S227 L230G168-N172 WeakPolarHBondContact O-CB 3.5Å; G168-N172 PolarHBondContact O-N 2.95Å; G168-N172 PolarHBondContact O-ND2 3.37Å; P169-N172 PolarHBondContact O-N 2.93Å; V170-N172 PolarHBondContact O-N 3.48Å; N172-A174 VanDerWaalsContact C-N 3.25Å; N172-A174 PolarHBondContact O-N 2.66Å; N172-V175 PolarHBondContact O-N 2.93Å; N172-S227 PolarHBondContact OD1-OG 3.27Å; N172-L230 WeakPolarHBondContact ND2-CD1 3.46Å
173A96.1Very high95.7Very high2 Ų231.3 Ų31.32%0.01718%0.179CC..Hα-helixtrans-65.7-27.3179.800000113.4F28 Q31 M32 P169 V170 V175 P177F28-A173 HydrophobicContact CD2-CB 3.93Å; F28-A173 WeakPolarHBondContact CD2-O 3.39Å; F28-A173 HydrophobicContact CE2-CB 3.78Å; Q31-A173 HydrophobicContact CB-CB 3.82Å; Q31-A173 VanDerWaalsContact OE1-CA 3.22Å; Q31-A173 PolarHBondContact OE1-O 3.27Å; Q31-A173 VanDerWaalsContact OE1-O 3.04Å; M32-A173 HydrophobicContact CG-CB 3.6Å; M32-A173 HydrophobicContact SD-CB 3.49Å; M32-A173 WeakPolarHBondContact SD-CB 3.24Å; P169-A173 WeakPolarHBondContact O-CB 3.31Å; P169-A173 PolarHBondContact O-N 2.9Å; V170-A173 PolarHBondContact O-N 2.81Å; A173-V175 VanDerWaalsContact C-N 3.34Å; A173-P177 WeakPolarHBondContact O-CD 3.36Å
174A97.2Very high95.4Very high39 Ų3931.7 Ų31.732%0.32218%0.183SC..Hα-helixtrans-75.6-19.6179.900000113.7F28 V170 L171 N172 A176 P177 F178F28-A174 HydrophobicContact CE2-CB 4.39Å; V170-A174 WeakPolarHBondContact O-CB 3.27Å; V170-A174 PolarHBondContact O-N 2.97Å; L171-A174 PolarHBondContact O-N 3.22Å; N172-A174 VanDerWaalsContact C-N 3.25Å; N172-A174 PolarHBondContact O-N 2.66Å; A174-A176 PolarHBondContact O-N 2.92Å; A174-P177 WeakPolarHBondContact O-CD 3.46Å; A174-F178 VanDerWaalsContact O-CB 3.26Å; A174-F178 WeakPolarHBondContact O-CB 3.44Å; A174-F178 PolarHBondContact O-N 3.48Å
175V96.9Very high95.2Very high5 Ų535.9 Ų35.93%0.0321%0.208CC..Hα-helixtrans-62.4-46.9-175.3177.80000112.1L171 N172 A173 F178 C179 Y219 T222 V226L171-V175 WeakPolarHBondContact O-CG2 3.43Å; N172-V175 PolarHBondContact O-N 2.93Å; A173-V175 VanDerWaalsContact C-N 3.34Å; V175-F178 PolarHBondContact O-N 2.63Å; V175-C179 PolarHBondContact O-N 3.43Å; V175-C179 PolarHBondContact O-SG 3.37Å; V175-Y219 HydrophobicContact CG1-CD2 3.93Å; V175-Y219 HydrophobicContact CG1-CE2 4.2Å; V175-T222 HydrophobicContact CG1-CG2 3.82Å; V175-T222 HydrophobicContact CG2-CG2 4.38Å; V175-V226 HydrophobicContact CG2-CB 4.14Å; V175-V226 HydrophobicContact CG2-CG1 4.31Å; V175-V226 HydrophobicContact CG2-CG2 3.91Å
176A95.1Very high95.1Very high15 Ų1537.5 Ų37.512%0.12421%0.213CC..Hα-helixtrans-66.4-47.6-177.200000112.8V27 A174 F178 C179 L180 Y219V27-A176 HydrophobicContact CG1-CB 3.51Å; A174-A176 PolarHBondContact O-N 2.92Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 2.97Å; A176-C179 PolarHBondContact O-N 3.49Å; A176-L180 WeakPolarHBondContact O-CB 3.46Å; A176-L180 PolarHBondContact O-N 3.03Å; A176-Y219 HydrophobicContact CB-CD2 4.08Å; A176-Y219 HydrophobicContact CB-CE2 3.77Å
177P96.3Very high94.9Very high16 Ų1635.8 Ų35.810%0.10420%0.203CC..Hα-helixtrans-56-42.8170.8-24.631.8000113.4C24 F28 A173 A174 C179 L180 A181C24-P177 HydrophobicContact CB-CB 3.97Å; C24-P177 PolarHBondContact SG-O 3.02Å; F28-P177 HydrophobicContact CB-CG 3.72Å; F28-P177 HydrophobicContact CD2-CG 4.23Å; F28-P177 HydrophobicContact CG-CG 4.47Å; A173-P177 WeakPolarHBondContact O-CD 3.36Å; A174-P177 WeakPolarHBondContact O-CD 3.46Å; P177-C179 PolarHBondContact O-N 2.75Å; P177-L180 PolarHBondContact O-N 2.99Å; P177-A181 PolarHBondContact O-N 3.36Å
178F96.3Very high94.6Very high144 Ų14438.2 Ų38.263%0.63222%0.217SC*.Hα-helixtrans-59.9-47.2177.5177.7-99000111.6A174 V175 A176 A181 G182A174-F178 VanDerWaalsContact O-CB 3.26Å; A174-F178 WeakPolarHBondContact O-CB 3.44Å; A174-F178 PolarHBondContact O-N 3.48Å; V175-F178 PolarHBondContact O-N 2.63Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 2.97Å; F178-A181 PolarHBondContact O-N 3.5Å; F178-G182 PolarHBondContact O-N 2.84Å
179C96Very high94.3Very high6 Ų641.2 Ų41.24%0.04124%0.235CC..Hα-helixtrans-69.5-35.1179-630000112.3V175 A176 P177 G182 V183 Y219V175-C179 PolarHBondContact O-N 3.43Å; V175-C179 PolarHBondContact O-SG 3.37Å; A176-C179 PolarHBondContact O-N 3.49Å; P177-C179 PolarHBondContact O-N 2.75Å; C179-G182 CarbonylContact O-C 3.51Å; C179-G182 WeakPolarHBondContact O-CA 2.86Å; C179-G182 PolarHBondContact O-N 3.45Å; C179-G182 VanDerWaalsContact O-N 3.13Å; C179-V183 PolarHBondContact O-N 3.02Å; C179-Y219 WeakPolarHBondContact SG-CA 3.07Å
180L93.8Very high94.1Very high64 Ų6442.7 Ų42.734%0.33524%0.243SC..Hα-helixtrans-64.2-41.7175-177.362.8000111.8L20 A176 P177 G182 V183L20-L180 HydrophobicContact CD1-CD2 4.42Å; L20-L180 HydrophobicContact CD1-CG 4.03Å; A176-L180 WeakPolarHBondContact O-CB 3.46Å; A176-L180 PolarHBondContact O-N 3.03Å; P177-L180 PolarHBondContact O-N 2.99Å; L180-G182 VanDerWaalsContact C-N 3.29Å; L180-G182 PolarHBondContact O-N 3.37Å; L180-V183 WeakPolarHBondContact O-CB 3.39Å; L180-V183 PolarHBondContact O-N 3Å
181A93.6Very high93.7Very high36 Ų3642.1 Ų42.130%0.29824%0.237SC..Hα-helixtrans-61.8-40.2170.400000111.1L20 P177 F178 V183 M184 V185L20-A181 HydrophobicContact CD2-CB 4.49Å; P177-A181 PolarHBondContact O-N 3.36Å; F178-A181 PolarHBondContact O-N 3.5Å; A181-V183 VanDerWaalsContact C-N 3.31Å; A181-V183 PolarHBondContact O-N 2.91Å; A181-M184 WeakPolarHBondContact O-CB 3.26Å; A181-M184 PolarHBondContact O-N 3.14Å; A181-V185 PolarHBondContact O-N 3.37Å
182G94.4Very high93.3Very high17 Ų1745 Ų4518%0.17525%0.248CC..Hα-helixtrans-54.8-40.517300000113.8F178 C179 L180 M184 V185 Y186F178-G182 PolarHBondContact O-N 2.84Å; C179-G182 CarbonylContact O-C 3.51Å; C179-G182 WeakPolarHBondContact O-CA 2.86Å; C179-G182 PolarHBondContact O-N 3.45Å; C179-G182 VanDerWaalsContact O-N 3.13Å; L180-G182 VanDerWaalsContact C-N 3.29Å; L180-G182 PolarHBondContact O-N 3.37Å; G182-M184 PolarHBondContact O-N 3.24Å; G182-V185 WeakPolarHBondContact O-CB 3.29Å; G182-V185 PolarHBondContact O-N 2.88Å; G182-V185 VanDerWaalsContact O-N 3.07Å; G182-Y186 WeakPolarHBondContact O-CD2 3.36Å; G182-Y186 VanDerWaalsContact O-CG 3.3Å; G182-Y186 PolarHBondContact O-N 3.42Å
183V94.1Very high93.1Very high21 Ų2148.4 Ų48.413%0.12727%0.265CS..Hα-helixtrans-56.4-39.6174.91750000111.6C179 L180 A181 V185 Y186 S187 A211 L212C179-V183 PolarHBondContact O-N 3.02Å; L180-V183 WeakPolarHBondContact O-CB 3.39Å; L180-V183 PolarHBondContact O-N 3Å; A181-V183 VanDerWaalsContact C-N 3.31Å; A181-V183 PolarHBondContact O-N 2.91Å; V183-V185 VanDerWaalsContact C-N 3.34Å; V183-Y186 PolarHBondContact O-N 3.42Å; V183-S187 VanDerWaalsContact O-CB 3.23Å; V183-S187 WeakPolarHBondContact O-CB 3.13Å; V183-S187 PolarHBondContact O-N 2.85Å; V183-A211 HydrophobicContact CG1-CB 4.46Å; V183-L212 HydrophobicContact CG1-CD2 3.84Å; V183-L212 HydrophobicContact CG1-CG 4.28Å
184M90.6Very high92.7Very high47 Ų4754.3 Ų54.323%0.23229%0.291CS..Hα-helixtrans-66.4-39.7178.4-67.2-139.5178.200112.2R16 L20 A181 G182 S187 V188R16-M184 HydrophobicContact CG-CE 4.21Å; R16-M184 HydrophobicContact CG-SD 4.05Å; R16-M184 PolarHBondContact NH2-O 3.47Å; L20-M184 HydrophobicContact CB-CE 3.38Å; L20-M184 HydrophobicContact CB-SD 3.89Å; L20-M184 HydrophobicContact CD1-CE 3.67Å; L20-M184 HydrophobicContact CD1-CG 4.1Å; L20-M184 HydrophobicContact CD1-SD 4.15Å; L20-M184 HydrophobicContact CD2-CE 4.14Å; L20-M184 HydrophobicContact CD2-CG 4.06Å; L20-M184 HydrophobicContact CD2-SD 3.64Å; L20-M184 HydrophobicContact CG-CE 3.85Å; L20-M184 HydrophobicContact CG-SD 4.06Å; A181-M184 WeakPolarHBondContact O-CB 3.26Å; A181-M184 PolarHBondContact O-N 3.14Å; G182-M184 PolarHBondContact O-N 3.24Å; M184-S187 PolarHBondContact O-N 2.86Å; M184-V188 WeakPolarHBondContact O-CG2 3.45Å; M184-V188 PolarHBondContact O-N 2.63Å; M184-V188 VanDerWaalsContact O-N 3.08Å
185V92.4Very high92.2Very high88 Ų8863 Ų6353%0.53332%0.315SS..Hα-helixtrans-63.5-52.8175.31800000109.5A181 G182 V183 S187 V188 T189A181-V185 PolarHBondContact O-N 3.37Å; G182-V185 WeakPolarHBondContact O-CB 3.29Å; G182-V185 PolarHBondContact O-N 2.88Å; G182-V185 VanDerWaalsContact O-N 3.07Å; V183-V185 VanDerWaalsContact C-N 3.34Å; V185-S187 VanDerWaalsContact C-N 3.29Å; V185-S187 PolarHBondContact O-N 3.38Å; V185-V188 PolarHBondContact O-N 3.36Å; V185-V188 VanDerWaalsContact O-N 3.12Å; V185-T189 WeakPolarHBondContact O-CB 3.18Å; V185-T189 PolarHBondContact O-N 2.94Å; V185-T189 PolarHBondContact O-OG1 3.46Å; V185-T189 VanDerWaalsContact O-OG1 3.08Å
186Y93.1Very high91.5Very high79 Ų7964 Ų6431%0.3132%0.32SS..Hα-helixtrans-54.3-45.6176.6-60.2-34.1000111.9G182 V183 V188 L190 L214 S218G182-Y186 WeakPolarHBondContact O-CD2 3.36Å; G182-Y186 VanDerWaalsContact O-CG 3.3Å; G182-Y186 PolarHBondContact O-N 3.42Å; V183-Y186 PolarHBondContact O-N 3.42Å; Y186-V188 PolarHBondContact O-N 2.94Å; Y186-L190 VanDerWaalsContact O-CB 3.24Å; Y186-L190 WeakPolarHBondContact O-CB 3.23Å; Y186-L190 WeakPolarHBondContact O-CD1 3.11Å; Y186-L190 WeakPolarHBondContact O-CG 3.36Å; Y186-L190 PolarHBondContact O-N 2.88Å; Y186-L214 HydrophobicContact CD2-CB 3.72Å; Y186-L214 HydrophobicContact CE2-CB 3.93Å; Y186-L214 HydrophobicContact CG-CB 4.35Å; Y186-L214 HydrophobicContact CG-CD1 4.37Å; Y186-S218 PolarHBondContact OH-OG 2.68Å
187S90.7Very high90.5Very high9 Ų968.3 Ų68.36%0.06334%0.338CS..Hα-helixtrans-61-40.7179.3178.50000112.9V183 M184 V185 K191 N208V183-S187 VanDerWaalsContact O-CB 3.23Å; V183-S187 WeakPolarHBondContact O-CB 3.13Å; V183-S187 PolarHBondContact O-N 2.85Å; M184-S187 PolarHBondContact O-N 2.86Å; V185-S187 VanDerWaalsContact C-N 3.29Å; V185-S187 PolarHBondContact O-N 3.38Å; S187-K191 WeakPolarHBondContact O-CB 3.43Å; S187-K191 VanDerWaalsContact O-CD 3.31Å; S187-K191 WeakPolarHBondContact O-CD 3.44Å; S187-K191 WeakPolarHBondContact O-CG 3.39Å; S187-K191 PolarHBondContact O-N 3.47Å; S187-K191 PolarHBondContact OG-NZ 3.35Å; S187-N208 PolarHBondContact OG-OD1 3.19Å
188V89.3Confident89.4Confident53 Ų5374.5 Ų74.532%0.32138%0.375SS..Hα-helixtrans-73.8-50.3178.9171.90000110.6M184 V185 Y186 L190 K191 Q192M184-V188 WeakPolarHBondContact O-CG2 3.45Å; M184-V188 PolarHBondContact O-N 2.63Å; M184-V188 VanDerWaalsContact O-N 3.08Å; V185-V188 PolarHBondContact O-N 3.36Å; V185-V188 VanDerWaalsContact O-N 3.12Å; Y186-V188 PolarHBondContact O-N 2.94Å; V188-L190 PolarHBondContact O-N 3.47Å; V188-K191 PolarHBondContact O-N 3.09Å; V188-Q192 PolarHBondContact O-N 3.04Å
189T90Very high88.1Confident63 Ų6368.4 Ų68.439%0.38735%0.352SS..Hα-helixtrans-61.2-45.9-177.2-58.60000111.7V185 K191 Q192 I193V185-T189 WeakPolarHBondContact O-CB 3.18Å; V185-T189 PolarHBondContact O-N 2.94Å; V185-T189 PolarHBondContact O-OG1 3.46Å; V185-T189 VanDerWaalsContact O-OG1 3.08Å; T189-K191 PolarHBondContact O-N 2.9Å; T189-Q192 WeakPolarHBondContact O-CB 3.34Å; T189-Q192 PolarHBondContact O-N 3.33Å; T189-Q192 VanDerWaalsContact O-N 3.09Å; T189-I193 HydrophobicContact CG2-CD1 3.77Å; T189-I193 HydrophobicContact CG2-CG1 4.4Å; T189-I193 VanDerWaalsContact O-CG1 3.32Å; T189-I193 WeakPolarHBondContact O-CG1 3.19Å; T189-I193 PolarHBondContact O-N 3.19Å
190L90.9Very high87.5Confident34 Ų3471.9 Ų71.918%0.17838%0.375CS..Hα-helixtrans-62.4-43.8177.6-69.7170.7000111.4Y186 V188 Q192 I193 F194 V207 V210 A211 L214Y186-L190 VanDerWaalsContact O-CB 3.24Å; Y186-L190 WeakPolarHBondContact O-CB 3.23Å; Y186-L190 WeakPolarHBondContact O-CD1 3.11Å; Y186-L190 WeakPolarHBondContact O-CG 3.36Å; Y186-L190 PolarHBondContact O-N 2.88Å; V188-L190 PolarHBondContact O-N 3.47Å; L190-Q192 PolarHBondContact O-N 2.73Å; L190-I193 PolarHBondContact O-N 3.47Å; L190-F194 HydrophobicContact CB-CD2 4.46Å; L190-F194 HydrophobicContact CD2-CE2 4.09Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 3.21Å; L190-V207 HydrophobicContact CB-CG1 3.44Å; L190-V207 VanDerWaalsContact CB-CG1 3.44Å; L190-V207 HydrophobicContact CD1-CG1 4.21Å; L190-V207 HydrophobicContact CG-CG1 4.49Å; L190-V210 HydrophobicContact CD1-CG1 4.09Å; L190-A211 HydrophobicContact CD1-CB 4.39Å; L190-L214 HydrophobicContact CD1-CD1 4.06Å
191K89.7Confident86.8Confident33 Ų3374 Ų7414%0.14339%0.39CS..Hα-helixtrans-63.4-29.1175.6-71.5171.9-165.51540112.5S187 V188 T189 R195 L196 H197 V207 N208S187-K191 WeakPolarHBondContact O-CB 3.43Å; S187-K191 VanDerWaalsContact O-CD 3.31Å; S187-K191 WeakPolarHBondContact O-CD 3.44Å; S187-K191 WeakPolarHBondContact O-CG 3.39Å; S187-K191 PolarHBondContact O-N 3.47Å; S187-K191 PolarHBondContact OG-NZ 3.35Å; V188-K191 PolarHBondContact O-N 3.09Å; T189-K191 PolarHBondContact O-N 2.9Å; K191-R195 CarbonylContact O-C 3.55Å; K191-R195 WeakPolarHBondContact O-CA 3.44Å; K191-R195 PolarHBondContact O-N 2.95Å; K191-R195 VanDerWaalsContact O-N 3.17Å; K191-L196 PolarHBondContact O-N 2.83Å; K191-H197 VanDerWaalsContact C-CE1 3.41Å; K191-H197 PolarHBondContact O-ND1 3.04Å; K191-V207 HydrophobicContact CG-CB 4.35Å; K191-V207 HydrophobicContact CG-CG1 3.76Å; K191-N208 WeakPolarHBondContact CE-OD1 3.47Å; K191-N208 PolarHBondContact NZ-OD1 2.96Å
192Q88.9Confident86.5Confident132 Ų13278.7 Ų78.762%0.61741%0.409SS*.Hα-helixtrans-75-46.5178-173.8175.3-7.600110.6V188 T189 L190 F194 R195 H197V188-Q192 PolarHBondContact O-N 3.04Å; T189-Q192 WeakPolarHBondContact O-CB 3.34Å; T189-Q192 PolarHBondContact O-N 3.33Å; T189-Q192 VanDerWaalsContact O-N 3.09Å; L190-Q192 PolarHBondContact O-N 2.73Å; Q192-F194 PolarHBondContact O-N 3.02Å; Q192-R195 PolarHBondContact O-N 3.07Å; Q192-H197 PolarHBondContact N-CE1 3.11Å; Q192-H197 VanDerWaalsContact N-CE1 3.34Å
193I89.7Confident86.1Confident113 Ų11383.6 Ų83.658%0.57943%0.426SS*.Hα-helixtrans-57.8-48.1176.8-69.2166.6000110.6T189 L190 R195T189-I193 HydrophobicContact CG2-CD1 3.77Å; T189-I193 HydrophobicContact CG2-CG1 4.4Å; T189-I193 VanDerWaalsContact O-CG1 3.32Å; T189-I193 WeakPolarHBondContact O-CG1 3.19Å; T189-I193 PolarHBondContact O-N 3.19Å; L190-I193 PolarHBondContact O-N 3.47Å; I193-R195 PolarHBondContact O-N 2.74Å
194F87.9Confident85.6Confident127 Ų12786.9 Ų86.956%0.55744%0.436SS*.THydrogen-bonded Turntrans-82.22.7179.3-64-64.6000113.8L190 Q192 L196 V207L190-F194 HydrophobicContact CB-CD2 4.46Å; L190-F194 HydrophobicContact CD2-CE2 4.09Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 3.21Å; Q192-F194 PolarHBondContact O-N 3.02Å; F194-L196 HydrophobicContact CB-CD1 3.57Å; F194-L196 HydrophobicContact CB-CG 3.66Å; F194-L196 HydrophobicContact CG-CD1 4.36Å; F194-L196 PolarHBondContact O-N 3.26Å; F194-L196 VanDerWaalsContact O-N 3.12Å; F194-V207 HydrophobicContact CD2-CG2 4.39Å
195R86.6Confident85.4Confident220 Ų22086.1 Ų86.183%0.8344%0.44SS*.THydrogen-bonded Turntrans52.830.6-177.5-57.6-177.8178.9176-0.7113.9K191 Q192 I193 H197K191-R195 CarbonylContact O-C 3.55Å; K191-R195 WeakPolarHBondContact O-CA 3.44Å; K191-R195 PolarHBondContact O-N 2.95Å; K191-R195 VanDerWaalsContact O-N 3.17Å; Q192-R195 PolarHBondContact O-N 3.07Å; I193-R195 PolarHBondContact O-N 2.74Å; R195-H197 PolarHBondContact O-N 2.68Å
196L83.2Confident85.3Confident26 Ų2685.7 Ų85.714%0.13644%0.438CS..THydrogen-bonded Turntrans-83.910.8-174.3-68.9171.7000114K191 F194 V198 G199 F203 R204 V207K191-L196 PolarHBondContact O-N 2.83Å; F194-L196 HydrophobicContact CB-CD1 3.57Å; F194-L196 HydrophobicContact CB-CG 3.66Å; F194-L196 HydrophobicContact CG-CD1 4.36Å; F194-L196 PolarHBondContact O-N 3.26Å; F194-L196 VanDerWaalsContact O-N 3.12Å; L196-V198 VanDerWaalsContact C-N 3.26Å; L196-V198 PolarHBondContact O-N 2.88Å; L196-G199 PolarHBondContact O-N 3.25Å; L196-F203 HydrophobicContact CD1-CB 4.07Å; L196-F203 HydrophobicContact CD2-CB 3.81Å; L196-F203 HydrophobicContact CD2-CG 4.44Å; L196-R204 HydrophobicContact CB-CG 4.31Å; L196-R204 VanDerWaalsContact O-CD 3.23Å; L196-R204 WeakPolarHBondContact O-CD 3.44Å; L196-R204 VanDerWaalsContact O-CG 3.24Å; L196-R204 WeakPolarHBondContact O-CG 3.48Å; L196-V207 HydrophobicContact CD1-CG2 3.59Å
197H72.9Confident85.2Confident106 Ų10682.5 Ų82.549%0.49143%0.426SS..THydrogen-bonded Turntrans-64.4-33.2179.2-75.565.2000112.2K191 Q192 R195K191-H197 VanDerWaalsContact C-CE1 3.41Å; K191-H197 PolarHBondContact O-ND1 3.04Å; Q192-H197 PolarHBondContact N-CE1 3.11Å; Q192-H197 VanDerWaalsContact N-CE1 3.34Å; R195-H197 PolarHBondContact O-N 2.68Å
198V73Confident85.2Confident147 Ų14785 Ų8589%0.89144%0.439SS*.SBendtrans-105.22.3175.1-167.10000111.3L196L196-V198 VanDerWaalsContact C-N 3.26Å; L196-V198 PolarHBondContact O-N 2.88Å
199G70.3Confident85.4Confident15 Ų1587.3 Ų87.316%0.15545%0.453CS..SBendtrans-80.5171.6-172.900000115L196 R204L196-G199 PolarHBondContact O-N 3.25Å; G199-R204 PolarHBondContact O-NE 2.7Å
200P81.7Confident85.6Confident80 Ų8087.8 Ų87.852%0.51946%0.456SS..  trans-55.5144.2-178.7-22.531.4000112.7I202 F203 R204P200-I202 PolarHBondContact O-N 3.24Å; P200-F203 HydrophobicContact CB-CD2 3.93Å; P200-F203 HydrophobicContact CG-CD2 3.85Å; P200-F203 HydrophobicContact CG-CE2 4.29Å; P200-F203 PolarHBondContact O-N 3.48Å; P200-R204 PolarHBondContact O-N 3.35Å
201V80.8Confident85.8Confident107 Ų10786.2 Ų86.265%0.64845%0.448SS*.Hα-helixtrans-56.8-37.1-176.7179.50000111.8R204 G205V201-R204 PolarHBondContact O-N 2.83Å; V201-G205 PolarHBondContact O-N 2.9Å
202I85.9Confident86Confident135 Ų13589.6 Ų89.669%0.69247%0.467SS*.Hα-helixtrans-60.5-50.1-179.5-63.1169.7000110.9P200 R204 G205 V206P200-I202 PolarHBondContact O-N 3.24Å; I202-R204 VanDerWaalsContact C-N 3.31Å; I202-R204 PolarHBondContact O-N 3.38Å; I202-G205 WeakPolarHBondContact O-CA 3.13Å; I202-G205 PolarHBondContact O-N 3.35Å; I202-V206 WeakPolarHBondContact O-CG2 3.29Å; I202-V206 PolarHBondContact O-N 3.49Å
203F86.1Confident86.3Confident120 Ų12085 Ų8553%0.52646%0.455SS..Hα-helixtrans-63.8-36.7179.3-71.6-67.6000112.4L196 P200 G205 V206 V207L196-F203 HydrophobicContact CD1-CB 4.07Å; L196-F203 HydrophobicContact CD2-CB 3.81Å; L196-F203 HydrophobicContact CD2-CG 4.44Å; P200-F203 HydrophobicContact CB-CD2 3.93Å; P200-F203 HydrophobicContact CG-CD2 3.85Å; P200-F203 HydrophobicContact CG-CE2 4.29Å; P200-F203 PolarHBondContact O-N 3.48Å; F203-G205 VanDerWaalsContact C-N 3.29Å; F203-G205 PolarHBondContact O-N 2.89Å; F203-V206 PolarHBondContact O-N 3.38Å; F203-V207 WeakPolarHBondContact O-CG2 3.49Å; F203-V207 PolarHBondContact O-N 3.39Å
204R84.9Confident86.6Confident90 Ų9083.1 Ų83.134%0.3445%0.446SS..Hα-helixtrans-63.5-36.5172.7-70.7-173-78.6165.2-1.4112.2L196 G199 P200 V201 I202 N208L196-R204 HydrophobicContact CB-CG 4.31Å; L196-R204 VanDerWaalsContact O-CD 3.23Å; L196-R204 WeakPolarHBondContact O-CD 3.44Å; L196-R204 VanDerWaalsContact O-CG 3.24Å; L196-R204 WeakPolarHBondContact O-CG 3.48Å; G199-R204 PolarHBondContact O-NE 2.7Å; P200-R204 PolarHBondContact O-N 3.35Å; V201-R204 PolarHBondContact O-N 2.83Å; I202-R204 VanDerWaalsContact C-N 3.31Å; I202-R204 PolarHBondContact O-N 3.38Å; R204-N208 PolarHBondContact O-N 3.34Å; R204-N208 VanDerWaalsContact O-N 3.17Å; R204-N208 PolarHBondContact O-ND2 3.46Å
205G85.6Confident86.9Confident32 Ų3277.3 Ų77.333%0.3342%0.421SS..Hα-helixtrans-62.5-50172.400000112.1V201 I202 F203 V207 N208 V209V201-G205 PolarHBondContact O-N 2.9Å; I202-G205 WeakPolarHBondContact O-CA 3.13Å; I202-G205 PolarHBondContact O-N 3.35Å; F203-G205 VanDerWaalsContact C-N 3.29Å; F203-G205 PolarHBondContact O-N 2.89Å; G205-V207 VanDerWaalsContact C-N 3.34Å; G205-V207 PolarHBondContact O-N 3.16Å; G205-N208 WeakPolarHBondContact O-CB 3.3Å; G205-N208 PolarHBondContact O-N 3.04Å; G205-N208 VanDerWaalsContact O-N 3.1Å; G205-V209 PolarHBondContact O-N 3.45Å
206V90.6Very high87.2Confident79 Ų7969 Ų6948%0.47940%0.4SS..Hα-helixtrans-57.1-46.6177.3174.30000111.2I202 F203 N208 V209 V210I202-V206 WeakPolarHBondContact O-CG2 3.29Å; I202-V206 PolarHBondContact O-N 3.49Å; F203-V206 PolarHBondContact O-N 3.38Å; V206-N208 VanDerWaalsContact C-N 3.29Å; V206-N208 PolarHBondContact O-N 2.88Å; V206-V209 WeakPolarHBondContact O-CB 3.31Å; V206-V209 PolarHBondContact O-N 3.25Å; V206-V209 VanDerWaalsContact O-N 3.1Å; V206-V210 HydrophobicContact CG1-CG2 4.47Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 3.07Å
207V90.3Very high87.7Confident11 Ų1171.6 Ų71.67%0.06742%0.417CS..Hα-helixtrans-62-35.8177.8171.30000112.6L190 K191 F194 L196 F203 G205 V210 A211L190-V207 HydrophobicContact CB-CG1 3.44Å; L190-V207 VanDerWaalsContact CB-CG1 3.44Å; L190-V207 HydrophobicContact CD1-CG1 4.21Å; L190-V207 HydrophobicContact CG-CG1 4.49Å; K191-V207 HydrophobicContact CG-CB 4.35Å; K191-V207 HydrophobicContact CG-CG1 3.76Å; F194-V207 HydrophobicContact CD2-CG2 4.39Å; L196-V207 HydrophobicContact CD1-CG2 3.59Å; F203-V207 WeakPolarHBondContact O-CG2 3.49Å; F203-V207 PolarHBondContact O-N 3.39Å; G205-V207 VanDerWaalsContact C-N 3.34Å; G205-V207 PolarHBondContact O-N 3.16Å; V207-V210 PolarHBondContact O-N 3.43Å; V207-A211 WeakPolarHBondContact O-CB 3.44Å; V207-A211 PolarHBondContact O-N 2.86Å
208N90.8Very high88.8Confident62 Ų6267.8 Ų67.833%0.33240%0.402SS..Hα-helixtrans-65.5-39.9174-74.1-27.2000112.1S187 K191 R204 G205 V206 A211 L212S187-N208 PolarHBondContact OG-OD1 3.19Å; K191-N208 WeakPolarHBondContact CE-OD1 3.47Å; K191-N208 PolarHBondContact NZ-OD1 2.96Å; R204-N208 PolarHBondContact O-N 3.34Å; R204-N208 VanDerWaalsContact O-N 3.17Å; R204-N208 PolarHBondContact O-ND2 3.46Å; G205-N208 WeakPolarHBondContact O-CB 3.3Å; G205-N208 PolarHBondContact O-N 3.04Å; G205-N208 VanDerWaalsContact O-N 3.1Å; V206-N208 VanDerWaalsContact C-N 3.29Å; V206-N208 PolarHBondContact O-N 2.88Å; N208-A211 PolarHBondContact O-N 2.87Å; N208-L212 WeakPolarHBondContact O-CG 3.44Å; N208-L212 PolarHBondContact O-N 2.95Å
209V93.6Very high89.8Confident101 Ų10163.9 Ų63.961%0.61237%0.372SS*.Hα-helixtrans-63.6-43.6175.7175.20000110.6G205 V206 A211 L212 G213G205-V209 PolarHBondContact O-N 3.45Å; V206-V209 WeakPolarHBondContact O-CB 3.31Å; V206-V209 PolarHBondContact O-N 3.25Å; V206-V209 VanDerWaalsContact O-N 3.1Å; V209-A211 PolarHBondContact O-N 2.83Å; V209-L212 WeakPolarHBondContact O-CB 3.2Å; V209-L212 PolarHBondContact O-N 3.24Å; V209-G213 PolarHBondContact O-N 3.01Å
210V95.2Very high90.8Very high74 Ų7467.1 Ų67.145%0.44838%0.382SS..Hα-helixtrans-60.9-45.8174.61740000111L190 V206 V207 L212 G213 L214L190-V210 HydrophobicContact CD1-CG1 4.09Å; V206-V210 HydrophobicContact CG1-CG2 4.47Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 3.07Å; V207-V210 PolarHBondContact O-N 3.43Å; V210-L212 VanDerWaalsContact C-N 3.3Å; V210-L212 PolarHBondContact O-N 3.32Å; V210-G213 PolarHBondContact O-N 3.24Å; V210-G213 VanDerWaalsContact O-N 3.16Å; V210-L214 HydrophobicContact CG1-CD1 4.31Å; V210-L214 HydrophobicContact CG1-CG 4.5Å; V210-L214 WeakPolarHBondContact O-CG 3.43Å; V210-L214 PolarHBondContact O-N 3.09Å
211A94.3Very high91.3Very high1 Ų168.8 Ų68.81%0.00839%0.386CS..Hα-helixtrans-61.1-37.5177.100000112.8V183 L190 V207 N208 V209 G215V183-A211 HydrophobicContact CG1-CB 4.46Å; L190-A211 HydrophobicContact CD1-CB 4.39Å; V207-A211 WeakPolarHBondContact O-CB 3.44Å; V207-A211 PolarHBondContact O-N 2.86Å; N208-A211 PolarHBondContact O-N 2.87Å; V209-A211 PolarHBondContact O-N 2.83Å; A211-G215 PolarHBondContact O-N 3.25Å
212L94Very high92Very high103 Ų10365.8 Ų65.854%0.53937%0.367SS..Hα-helixtrans-65-44.1173.1-75.3168000111.6V183 N208 V209 V210 L214 G215 A216V183-L212 HydrophobicContact CG1-CD2 3.84Å; V183-L212 HydrophobicContact CG1-CG 4.28Å; N208-L212 WeakPolarHBondContact O-CG 3.44Å; N208-L212 PolarHBondContact O-N 2.95Å; V209-L212 WeakPolarHBondContact O-CB 3.2Å; V209-L212 PolarHBondContact O-N 3.24Å; V210-L212 VanDerWaalsContact C-N 3.3Å; V210-L212 PolarHBondContact O-N 3.32Å; L212-L214 PolarHBondContact O-N 2.97Å; L212-G215 PolarHBondContact O-N 3.48Å; L212-A216 PolarHBondContact O-N 3.08Å
213G95.3Very high92.4Very high37 Ų3759.8 Ų59.838%0.38134%0.337SS..Hα-helixtrans-58.9-45.6175.200000112.3V209 V210 G215 A216 V217V209-G213 PolarHBondContact O-N 3.01Å; V210-G213 PolarHBondContact O-N 3.24Å; V210-G213 VanDerWaalsContact O-N 3.16Å; G213-G215 VanDerWaalsContact C-N 3.34Å; G213-G215 PolarHBondContact O-N 2.86Å; G213-A216 PolarHBondContact O-N 3.15Å; G213-V217 WeakPolarHBondContact O-CG2 3.46Å; G213-V217 PolarHBondContact O-N 3.44Å
214L95.3Very high92.8Very high73 Ų7354.7 Ų54.738%0.38232%0.316SS..Hα-helixtrans-60.5-42.7173.8-69175000111.8Y186 L190 V210 L212 A216 V217 S218Y186-L214 HydrophobicContact CD2-CB 3.72Å; Y186-L214 HydrophobicContact CE2-CB 3.93Å; Y186-L214 HydrophobicContact CG-CB 4.35Å; Y186-L214 HydrophobicContact CG-CD1 4.37Å; L190-L214 HydrophobicContact CD1-CD1 4.06Å; V210-L214 HydrophobicContact CG1-CD1 4.31Å; V210-L214 HydrophobicContact CG1-CG 4.5Å; V210-L214 WeakPolarHBondContact O-CG 3.43Å; V210-L214 PolarHBondContact O-N 3.09Å; L212-L214 PolarHBondContact O-N 2.97Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.28Å; L214-V217 PolarHBondContact O-N 2.96Å; L214-S218 WeakPolarHBondContact O-CB 3.42Å; L214-S218 PolarHBondContact O-N 2.93Å; L214-S218 PolarHBondContact O-OG 3.16Å; L214-S218 VanDerWaalsContact O-OG 3.07Å
215G94.7Very high93.2Very high4 Ų453.1 Ų53.14%0.04132%0.322CS..Hα-helixtrans-59.4-42174.700000113.7A211 L212 G213 S218 Y219A211-G215 PolarHBondContact O-N 3.25Å; L212-G215 PolarHBondContact O-N 3.48Å; G213-G215 VanDerWaalsContact C-N 3.34Å; G213-G215 PolarHBondContact O-N 2.86Å; G215-S218 PolarHBondContact O-N 3.26Å; G215-Y219 WeakPolarHBondContact O-CB 3.41Å; G215-Y219 PolarHBondContact O-N 3.46Å
216A92.9Very high93.8Very high46 Ų4653.2 Ų53.238%0.3832%0.316SS..Hα-helixtrans-64.3-45.1177.100000111.6L212 G213 L214 Y219 F220L212-A216 PolarHBondContact O-N 3.08Å; G213-A216 PolarHBondContact O-N 3.15Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.28Å; A216-Y219 WeakPolarHBondContact O-CB 3.49Å; A216-Y219 PolarHBondContact O-N 3.01Å; A216-F220 WeakPolarHBondContact O-CD2 3.15Å; A216-F220 PolarHBondContact O-N 2.86Å
217V93.8Very high94Very high81 Ų8149.7 Ų49.749%0.49130%0.295SS..Hα-helixtrans-61.2-47.2174.9174.10000110.9G213 L214 Y219 F220 L221G213-V217 WeakPolarHBondContact O-CG2 3.46Å; G213-V217 PolarHBondContact O-N 3.44Å; L214-V217 PolarHBondContact O-N 2.96Å; V217-Y219 VanDerWaalsContact C-N 3.26Å; V217-Y219 PolarHBondContact O-N 3.24Å; V217-F220 PolarHBondContact O-N 2.79Å; V217-L221 HydrophobicContact CG1-CD1 3.85Å; V217-L221 HydrophobicContact CG1-CG 4.32Å; V217-L221 WeakPolarHBondContact O-CG 3.48Å; V217-L221 PolarHBondContact O-N 2.92Å
218S95Very high94.2Very high26 Ų2651.8 Ų51.818%0.18230%0.304CS..Hα-helixtrans-58.4-38.7176.1-65.80000111.9Y186 L214 G215 T222Y186-S218 PolarHBondContact OH-OG 2.68Å; L214-S218 WeakPolarHBondContact O-CB 3.42Å; L214-S218 PolarHBondContact O-N 2.93Å; L214-S218 PolarHBondContact O-OG 3.16Å; L214-S218 VanDerWaalsContact O-OG 3.07Å; G215-S218 PolarHBondContact O-N 3.26Å; S218-T222 WeakPolarHBondContact O-CB 3.04Å; S218-T222 PolarHBondContact O-N 2.94Å; S218-T222 PolarHBondContact O-OG1 2.7Å
219Y94.4Very high94.5Very high64 Ų6454.8 Ų54.825%0.25131%0.311SS..Hα-helixtrans-62.9-48.7176170-103.6000112.4V175 A176 C179 G215 A216 V217 S223V175-Y219 HydrophobicContact CG1-CD2 3.93Å; V175-Y219 HydrophobicContact CG1-CE2 4.2Å; A176-Y219 HydrophobicContact CB-CD2 4.08Å; A176-Y219 HydrophobicContact CB-CE2 3.77Å; C179-Y219 WeakPolarHBondContact SG-CA 3.07Å; G215-Y219 WeakPolarHBondContact O-CB 3.41Å; G215-Y219 PolarHBondContact O-N 3.46Å; A216-Y219 WeakPolarHBondContact O-CB 3.49Å; A216-Y219 PolarHBondContact O-N 3.01Å; V217-Y219 VanDerWaalsContact C-N 3.26Å; V217-Y219 PolarHBondContact O-N 3.24Å; Y219-S223 WeakPolarHBondContact O-CB 3.43Å; Y219-S223 PolarHBondContact O-N 3.16Å
220F92Very high94.7Very high84 Ų8450.2 Ų50.237%0.36828%0.283SS..Hα-helixtrans-61.6-49.5178.9-68.5-59.4000111.5A216 V217 T222 S223 D224A216-F220 WeakPolarHBondContact O-CD2 3.15Å; A216-F220 PolarHBondContact O-N 2.86Å; V217-F220 PolarHBondContact O-N 2.79Å; F220-T222 PolarHBondContact O-N 3.32Å; F220-S223 PolarHBondContact O-N 2.89Å; F220-D224 WeakPolarHBondContact O-CB 3.4Å; F220-D224 VanDerWaalsContact O-CG 3.3Å; F220-D224 PolarHBondContact O-N 2.86Å
221L92.9Very high94.8Very high115 Ų11547.1 Ų47.160%0.60226%0.264SS*.Hα-helixtrans-63.3-45.4-179.3-65.4177.8000112.1V217 A225V217-L221 HydrophobicContact CG1-CD1 3.85Å; V217-L221 HydrophobicContact CG1-CG 4.32Å; V217-L221 WeakPolarHBondContact O-CG 3.48Å; V217-L221 PolarHBondContact O-N 2.92Å; L221-A225 VanDerWaalsContact O-CB 3.23Å; L221-A225 WeakPolarHBondContact O-CB 3.4Å; L221-A225 PolarHBondContact O-N 2.75Å
222T95.4Very high94.9Very high43 Ų4351 Ų5126%0.26428%0.279SS..Hα-helixtrans-69.4-40.3-179.7-52.10000111.1V175 S218 F220 D224 A225 V226V175-T222 HydrophobicContact CG1-CG2 3.82Å; V175-T222 HydrophobicContact CG2-CG2 4.38Å; S218-T222 WeakPolarHBondContact O-CB 3.04Å; S218-T222 PolarHBondContact O-N 2.94Å; S218-T222 PolarHBondContact O-OG1 2.7Å; F220-T222 PolarHBondContact O-N 3.32Å; T222-D224 PolarHBondContact O-N 3.38Å; T222-A225 PolarHBondContact O-N 2.68Å; T222-V226 HydrophobicContact CG2-CG2 4.28Å; T222-V226 WeakPolarHBondContact O-CB 3.22Å; T222-V226 VanDerWaalsContact O-CG2 3.3Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.48Å
223S93.9Very high95.1Very high9 Ų950.9 Ų50.96%0.06327%0.274CS..Hα-helixtrans-63.8-42.4178.3-178.80000111.4Y219 F220 S227Y219-S223 WeakPolarHBondContact O-CB 3.43Å; Y219-S223 PolarHBondContact O-N 3.16Å; F220-S223 PolarHBondContact O-N 2.89Å; S223-S227 VanDerWaalsContact O-CB 3.26Å; S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 3.46Å; S223-S227 PolarHBondContact O-OG 3.43Å
224D93Very high95.2Very high13 Ų1349.2 Ų49.27%0.0726%0.257CS..Hα-helixtrans-69.4-43.3177.8-72.4-1.5000110.4F220 T222 V226 S227 Q228 R288 L289 K290F220-D224 WeakPolarHBondContact O-CB 3.4Å; F220-D224 VanDerWaalsContact O-CG 3.3Å; F220-D224 PolarHBondContact O-N 2.86Å; T222-D224 PolarHBondContact O-N 3.38Å; D224-V226 PolarHBondContact O-N 3.39Å; D224-S227 PolarHBondContact O-N 3.05Å; D224-Q228 WeakPolarHBondContact O-CB 3.49Å; D224-Q228 VanDerWaalsContact O-CG 3.27Å; D224-Q228 WeakPolarHBondContact O-CG 3.44Å; D224-Q228 PolarHBondContact O-N 2.89Å; D224-R288 WeakPolarHBondContact OD2-CA 3.42Å; D224-L289 PolarHBondContact OD2-N 2.69Å; D224-K290 WeakPolarHBondContact OD1-CA 3.12Å
225A95.2Very high95.3Very high58 Ų5846 Ų4648%0.47924%0.239SC..Hα-helixtrans-60.8-46.3176.500000112.6L221 T222 Q228 W229L221-A225 VanDerWaalsContact O-CB 3.23Å; L221-A225 WeakPolarHBondContact O-CB 3.4Å; L221-A225 PolarHBondContact O-N 2.75Å; T222-A225 PolarHBondContact O-N 2.68Å; A225-Q228 PolarHBondContact O-N 3.35Å; A225-W229 VanDerWaalsContact O-CB 3.24Å; A225-W229 WeakPolarHBondContact O-CB 3.5Å; A225-W229 PolarHBondContact O-N 3.18Å
226V96.8Very high95.5Very high34 Ų3453.5 Ų53.521%0.20627%0.267CS..Hα-helixtrans-63.4-43.3176.8169.30000110.9L171 V175 T222 D224 W229 L230L171-V226 HydrophobicContact CB-CG1 4.23Å; V175-V226 HydrophobicContact CG2-CB 4.14Å; V175-V226 HydrophobicContact CG2-CG1 4.31Å; V175-V226 HydrophobicContact CG2-CG2 3.91Å; T222-V226 HydrophobicContact CG2-CG2 4.28Å; T222-V226 WeakPolarHBondContact O-CB 3.22Å; T222-V226 VanDerWaalsContact O-CG2 3.3Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.48Å; D224-V226 PolarHBondContact O-N 3.39Å; V226-W229 PolarHBondContact O-N 3.13Å; V226-L230 HydrophobicContact CG1-CD1 4.05Å; V226-L230 HydrophobicContact CG1-CG 4.48Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.41Å; V226-L230 PolarHBondContact O-N 3.5Å
227S94.8Very high95.7Very high4 Ų456 Ų563%0.02827%0.266CS..Hα-helixtrans-64.7-44.5179.6-62.70000112.1N172 S223 D224 L230 D231 K290N172-S227 PolarHBondContact OD1-OG 3.27Å; S223-S227 VanDerWaalsContact O-CB 3.26Å; S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 3.46Å; S223-S227 PolarHBondContact O-OG 3.43Å; D224-S227 PolarHBondContact O-N 3.05Å; S227-L230 PolarHBondContact O-N 3.29Å; S227-D231 WeakPolarHBondContact O-CB 3.31Å; S227-D231 PolarHBondContact O-N 3.36Å; S227-K290 WeakPolarHBondContact CB-O 3.49Å
228Q95.4Very high95.9Very high55 Ų5552.2 Ų52.226%0.25724%0.243SC..Hα-helixtrans-66.3-40.9175.8-69.9-178.124.400112D224 A225 L230 D231 Y232 L289 A292D224-Q228 WeakPolarHBondContact O-CB 3.49Å; D224-Q228 VanDerWaalsContact O-CG 3.27Å; D224-Q228 WeakPolarHBondContact O-CG 3.44Å; D224-Q228 PolarHBondContact O-N 2.89Å; A225-Q228 PolarHBondContact O-N 3.35Å; Q228-L230 VanDerWaalsContact C-N 3.33Å; Q228-L230 PolarHBondContact O-N 2.95Å; Q228-D231 WeakPolarHBondContact O-CB 3.38Å; Q228-D231 PolarHBondContact O-N 3.32Å; Q228-Y232 HydrophobicContact CB-CE2 4.4Å; Q228-Y232 WeakPolarHBondContact O-CD2 3.44Å; Q228-Y232 PolarHBondContact O-N 3.48Å; Q228-L289 PolarHBondContact NE2-O 3.49Å; Q228-A292 HydrophobicContact CB-CB 4.34Å; Q228-A292 HydrophobicContact CG-CB 4.22Å
229W97.1Very high96Very high126 Ų12651 Ų5148%0.47724%0.235SC..Hα-helixtrans-60.5-44.4174.8175.985.7000111.2V166 L171 A225 V226 D231 Y232 K233V166-W229 HydrophobicContact CG2-CH2 3.92Å; V166-W229 HydrophobicContact CG2-CZ3 4.4Å; L171-W229 HydrophobicContact CD1-CH2 4.3Å; L171-W229 HydrophobicContact CD1-CZ3 3.67Å; A225-W229 VanDerWaalsContact O-CB 3.24Å; A225-W229 WeakPolarHBondContact O-CB 3.5Å; A225-W229 PolarHBondContact O-N 3.18Å; V226-W229 PolarHBondContact O-N 3.13Å; W229-D231 VanDerWaalsContact C-N 3.33Å; W229-D231 PolarHBondContact O-N 3.03Å; W229-Y232 PolarHBondContact O-N 3.48Å; W229-K233 HydrophobicContact CH2-CG 4.32Å; W229-K233 HydrophobicContact CZ2-CB 4.48Å; W229-K233 HydrophobicContact CZ2-CD 4.37Å; W229-K233 HydrophobicContact CZ2-CG 4.15Å; W229-K233 WeakPolarHBondContact O-CB 3.03Å; W229-K233 PolarHBondContact O-N 2.98Å
230L97.3Very high96.1Very high4 Ų450.4 Ų50.42%0.02125%0.249CC..Hα-helixtrans-60.9-42.5174.2-75.4170.8000111.7V166 L171 N172 V226 S227 Q228 K233 S234V166-L230 HydrophobicContact CG1-CD2 3.64Å; L171-L230 HydrophobicContact CD1-CD2 4.09Å; N172-L230 WeakPolarHBondContact ND2-CD1 3.46Å; V226-L230 HydrophobicContact CG1-CD1 4.05Å; V226-L230 HydrophobicContact CG1-CG 4.48Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.41Å; V226-L230 PolarHBondContact O-N 3.5Å; S227-L230 PolarHBondContact O-N 3.29Å; Q228-L230 VanDerWaalsContact C-N 3.33Å; Q228-L230 PolarHBondContact O-N 2.95Å; L230-K233 PolarHBondContact O-N 3.39Å; L230-S234 VanDerWaalsContact O-CB 3.24Å; L230-S234 WeakPolarHBondContact O-CB 3.41Å; L230-S234 PolarHBondContact O-N 2.94Å; L230-S234 PolarHBondContact O-OG 3.28Å
231D96.6Very high96.4Very high9 Ų948.9 Ų48.95%0.04824%0.244CC..Hα-helixtrans-59.3-48.3177-83.3-30.2000112R159 S227 Q228 W229 S234 D235 H291 A292 R297R159-D231 IonicContact NH2-OD1 3.49Å; S227-D231 WeakPolarHBondContact O-CB 3.31Å; S227-D231 PolarHBondContact O-N 3.36Å; Q228-D231 WeakPolarHBondContact O-CB 3.38Å; Q228-D231 PolarHBondContact O-N 3.32Å; W229-D231 VanDerWaalsContact C-N 3.33Å; W229-D231 PolarHBondContact O-N 3.03Å; D231-S234 PolarHBondContact O-OG 2.96Å; D231-D235 VanDerWaalsContact O-CG 3.25Å; D231-D235 PolarHBondContact O-N 3.36Å; D231-H291 IonicContact OD1-ND1 3.91Å; D231-H291 WeakPolarHBondContact OD2-CA 3.23Å; D231-H291 WeakPolarHBondContact OD2-CB 3.24Å; D231-H291 IonicContact OD2-CG 3.08Å; D231-H291 IonicContact OD2-ND1 2.66Å; D231-H291 PolarHBondContact OD2-ND1 2.93Å; D231-A292 HydrophobicContact CB-CB 4.07Å; D231-A292 PolarHBondContact OD2-N 3.25Å; D231-A292 VanDerWaalsContact OD2-N 3.14Å; D231-R297 VanDerWaalsContact CB-CZ 3.49Å; D231-R297 PolarHBondContact O-NH2 3.01Å; D231-R297 IonicContact OD1-CZ 2.84Å; D231-R297 IonicContact OD1-NH1 3.58Å; D231-R297 PolarHBondContact OD1-NH1 2.86Å; D231-R297 IonicContact OD1-NH2 3.71Å; D231-R297 IonicContact OD2-NH1 2.77Å; D231-R297 PolarHBondContact OD2-NH1 3.34Å
232Y97.6Very high96.5Very high84 Ų8445.5 Ų45.533%0.32923%0.23SC..Hα-helixtrans-71.9-40.1178.7-69.9-59.8000112.5Q228 W229 D235 R236 A292 S296 R297Q228-Y232 HydrophobicContact CB-CE2 4.4Å; Q228-Y232 WeakPolarHBondContact O-CD2 3.44Å; Q228-Y232 PolarHBondContact O-N 3.48Å; W229-Y232 PolarHBondContact O-N 3.48Å; Y232-D235 PolarHBondContact O-N 3.47Å; Y232-R236 VanDerWaalsContact O-CB 3.28Å; Y232-R236 WeakPolarHBondContact O-CB 3.4Å; Y232-R236 PolarHBondContact O-N 2.97Å; Y232-A292 HydrophobicContact CD2-CB 4.24Å; Y232-A292 HydrophobicContact CE1-CB 3.96Å; Y232-A292 HydrophobicContact CE2-CB 3.62Å; Y232-A292 VanDerWaalsContact CZ-CB 3.46Å; Y232-S296 WeakPolarHBondContact OH-CB 3.31Å; Y232-S296 PolarHBondContact OH-OG 3.17Å; Y232-R297 HydrophobicContact CD1-CG 4.22Å; Y232-R297 HydrophobicContact CE1-CG 3.93Å
233K97.6Very high96.5Very high100 Ų10048 Ų4844%0.43524%0.237SC..Hα-helixtrans-65.6-43.2-179-175.967.4178.6-175.50111.3W229 L230 R237W229-K233 HydrophobicContact CH2-CG 4.32Å; W229-K233 HydrophobicContact CZ2-CB 4.48Å; W229-K233 HydrophobicContact CZ2-CD 4.37Å; W229-K233 HydrophobicContact CZ2-CG 4.15Å; W229-K233 WeakPolarHBondContact O-CB 3.03Å; W229-K233 PolarHBondContact O-N 2.98Å; L230-K233 PolarHBondContact O-N 3.39Å; K233-R237 WeakPolarHBondContact O-CB 3.27Å; K233-R237 PolarHBondContact O-N 2.9Å
234S97.7Very high96.7Very high2 Ų251.9 Ų51.91%0.01426%0.256CS..Hα-helixtrans-63.7-46.3176.952.20000112R159 L230 D231 R237 A238R159-S234 VanDerWaalsContact O-CB 3.31Å; R159-S234 WeakPolarHBondContact O-CB 3.09Å; L230-S234 VanDerWaalsContact O-CB 3.24Å; L230-S234 WeakPolarHBondContact O-CB 3.41Å; L230-S234 PolarHBondContact O-N 2.94Å; L230-S234 PolarHBondContact O-OG 3.28Å; D231-S234 PolarHBondContact O-OG 2.96Å; S234-R237 PolarHBondContact O-N 3.27Å; S234-A238 WeakPolarHBondContact O-CB 3.18Å; S234-A238 PolarHBondContact O-N 2.92Å
235D98.2Very high96.9Very high4 Ų451.5 Ų51.52%0.02125%0.254CS..Hα-helixtrans-62.8-45176.9-73.6-12.4000112.6F155 R159 D231 Y232 R237 A238 A239 Y253 R297 I301F155-D235 HydrophobicContact CZ-CB 4.23Å; R159-D235 IonicContact NE-OD1 2.75Å; R159-D235 PolarHBondContact NE-OD1 3.46Å; R159-D235 VanDerWaalsContact NE-OD1 3.08Å; D231-D235 VanDerWaalsContact O-CG 3.25Å; D231-D235 PolarHBondContact O-N 3.36Å; Y232-D235 PolarHBondContact O-N 3.47Å; D235-R237 VanDerWaalsContact C-N 3.31Å; D235-R237 PolarHBondContact O-N 3.24Å; D235-A238 PolarHBondContact O-N 2.55Å; D235-A239 VanDerWaalsContact O-CB 3.24Å; D235-A239 WeakPolarHBondContact O-CB 3.44Å; D235-A239 PolarHBondContact O-N 3.45Å; D235-Y253 PolarHBondContact OD1-OH 3.2Å; D235-Y253 WeakPolarHBondContact OD2-CE2 3.11Å; D235-Y253 PolarHBondContact OD2-OH 2.88Å; D235-R297 IonicContact OD1-CZ 3.61Å; D235-R297 IonicContact OD1-NE 2.88Å; D235-R297 IonicContact OD1-NH2 3.17Å; D235-R297 PolarHBondContact OD1-NH2 2.87Å; D235-R297 WeakPolarHBondContact OD2-CB 3.43Å; D235-R297 IonicContact OD2-CZ 3.73Å; D235-R297 IonicContact OD2-NE 3.47Å; D235-R297 PolarHBondContact OD2-NE 3.42Å; D235-R297 IonicContact OD2-NH2 2.9Å; D235-R297 PolarHBondContact OD2-NH2 2.9Å; D235-I301 HydrophobicContact CB-CD1 4.36Å
236R97.6Very high97Very high163 Ų16348.8 Ų48.862%0.61523%0.232SC*.Hα-helixtrans-62.5-41.1178.7-178.1170.5-176.8159.24.5111.1Y232 G240 L304Y232-R236 VanDerWaalsContact O-CB 3.28Å; Y232-R236 WeakPolarHBondContact O-CB 3.4Å; Y232-R236 PolarHBondContact O-N 2.97Å; R236-G240 PolarHBondContact O-N 3.04Å; R236-L304 HydrophobicContact CG-CD1 4.14Å
237R97.3Very high97.1Very high98 Ų9853.4 Ų53.437%0.3725%0.249SC..Hα-helixtrans-66-43.9177.2-171.8169.4-176.4167.70111.3A162 K233 S234 D235 G240 L241A162-R237 HydrophobicContact CB-CB 3.92Å; A162-R237 HydrophobicContact CB-CG 4.03Å; K233-R237 WeakPolarHBondContact O-CB 3.27Å; K233-R237 PolarHBondContact O-N 2.9Å; S234-R237 PolarHBondContact O-N 3.27Å; D235-R237 VanDerWaalsContact C-N 3.31Å; D235-R237 PolarHBondContact O-N 3.24Å; R237-G240 PolarHBondContact O-N 3.38Å; R237-L241 WeakPolarHBondContact O-CG 3.1Å; R237-L241 PolarHBondContact O-N 3.33Å
238A98.2Very high97.2Very high1 Ų153.2 Ų53.21%0.00825%0.248CC..Hα-helixtrans-66.8-47.8178.200000112.7F155 A158 R159 S234 D235 G240 L241 Y245F155-A238 HydrophobicContact CD2-CB 3.88Å; F155-A238 HydrophobicContact CE2-CB 3.74Å; A158-A238 HydrophobicContact CB-CB 3.83Å; R159-A238 HydrophobicContact CB-CB 3.91Å; S234-A238 WeakPolarHBondContact O-CB 3.18Å; S234-A238 PolarHBondContact O-N 2.92Å; D235-A238 PolarHBondContact O-N 2.55Å; A238-G240 VanDerWaalsContact C-N 3.28Å; A238-G240 PolarHBondContact O-N 2.93Å; A238-L241 WeakPolarHBondContact O-CB 3.36Å; A238-L241 WeakPolarHBondContact O-CG 3.49Å; A238-L241 PolarHBondContact O-N 3.1Å; A238-Y245 WeakPolarHBondContact O-CB 3.37Å
239A97.9Very high97.3Very high1 Ų150.6 Ų50.61%0.00824%0.235CC..Hα-helixtrans-64-35.3177.200000111.9F155 D235 L241 S242 A246 I301 L304F155-A239 HydrophobicContact CE2-CB 3.99Å; D235-A239 VanDerWaalsContact O-CB 3.24Å; D235-A239 WeakPolarHBondContact O-CB 3.44Å; D235-A239 PolarHBondContact O-N 3.45Å; A239-L241 PolarHBondContact O-N 2.99Å; A239-S242 VanDerWaalsContact O-O 3.14Å; A239-A246 HydrophobicContact CB-CB 4.12Å; A239-I301 HydrophobicContact CB-CG1 4.12Å; A239-I301 HydrophobicContact CB-CG2 3.89Å; A239-L304 HydrophobicContact CB-CD1 4.05Å
240G96.5Very high97.4Very high52 Ų5245.9 Ų45.954%0.53622%0.22SC..THydrogen-bonded Turntrans-72.5-4.617900000115.3R236 R237 A238R236-G240 PolarHBondContact O-N 3.04Å; R237-G240 PolarHBondContact O-N 3.38Å; A238-G240 VanDerWaalsContact C-N 3.28Å; A238-G240 PolarHBondContact O-N 2.93Å
241L96.5Very high97.5Very high52 Ų5248.4 Ų48.427%0.27223%0.232SC..THydrogen-bonded Turntrans-66.7-42.2176.1-64.4-178.8000111.8A158 R237 A238 A239 Y245A158-L241 HydrophobicContact CB-CD1 3.91Å; R237-L241 WeakPolarHBondContact O-CG 3.1Å; R237-L241 PolarHBondContact O-N 3.33Å; A238-L241 WeakPolarHBondContact O-CB 3.36Å; A238-L241 WeakPolarHBondContact O-CG 3.49Å; A238-L241 PolarHBondContact O-N 3.1Å; A239-L241 PolarHBondContact O-N 2.99Å; L241-Y245 HydrophobicContact CB-CD1 4.46Å; L241-Y245 HydrophobicContact CB-CD2 3.93Å; L241-Y245 HydrophobicContact CB-CE2 4.31Å; L241-Y245 HydrophobicContact CB-CG 4.02Å; L241-Y245 HydrophobicContact CD1-CD1 3.94Å; L241-Y245 HydrophobicContact CD1-CE1 3.82Å; L241-Y245 HydrophobicContact CD1-CE2 4.42Å; L241-Y245 HydrophobicContact CD1-CG 4.33Å
242S96.2Very high97.5Very high44 Ų4448 Ų4831%0.30823%0.23SC..  trans-169.3167.8168.668.70000111A239 I244 Y245 A246A239-S242 VanDerWaalsContact O-O 3.14Å; S242-I244 PolarHBondContact O-N 3.06Å; S242-I244 PolarHBondContact OG-N 3.33Å; S242-Y245 WeakPolarHBondContact O-CB 3.26Å; S242-Y245 PolarHBondContact O-N 3.17Å; S242-Y245 WeakPolarHBondContact OG-CD2 3.32Å; S242-A246 PolarHBondContact O-N 2.93Å
243K95.8Very high97.5Very high95 Ų9544 Ų4441%0.41321%0.214SC..Hα-helixtrans-53.4-29.1173.2-167.5171.4-170.4167.10114K247 L305K243-K247 WeakPolarHBondContact O-CG 3.45Å; K243-K247 PolarHBondContact O-N 3.35Å; K243-L305 HydrophobicContact CG-CD2 3.98Å
244I96.7Very high97.6Very high91 Ų9142.7 Ų42.747%0.46721%0.212SC..Hα-helixtrans-67-47.6176.2-63.6-179.4000109.9E151 S242 K247 G248E151-I244 HydrophobicContact CB-CG2 4.14Å; E151-I244 HydrophobicContact CG-CG2 3.36Å; S242-I244 PolarHBondContact O-N 3.06Å; S242-I244 PolarHBondContact OG-N 3.33Å; I244-K247 PolarHBondContact O-N 2.92Å; I244-G248 PolarHBondContact O-N 3.1Å
245Y98Very high97.5Very high4 Ų444.1 Ų44.12%0.01622%0.218CC..Hα-helixtrans-64.6-40.4176-78.1-100.8000111.9V68 D71 K154 F155 A158 A238 L241 S242 G248 G249V68-Y245 HydrophobicContact CG2-CE1 4.3Å; D71-Y245 HydrophobicContact CB-CE2 4.25Å; D71-Y245 WeakPolarHBondContact CB-OH 3.42Å; D71-Y245 WeakPolarHBondContact OD2-CE2 3.39Å; D71-Y245 PolarHBondContact OD2-OH 3.39Å; K154-Y245 HydrophobicContact CB-CD1 4.22Å; K154-Y245 HydrophobicContact CB-CE1 3.64Å; F155-Y245 WeakPolarHBondContact CD2-O 3.15Å; A158-Y245 HydrophobicContact CB-CD1 3.86Å; A158-Y245 HydrophobicContact CB-CE1 3.61Å; A238-Y245 WeakPolarHBondContact O-CB 3.37Å; L241-Y245 HydrophobicContact CB-CD1 4.46Å; L241-Y245 HydrophobicContact CB-CD2 3.93Å; L241-Y245 HydrophobicContact CB-CE2 4.31Å; L241-Y245 HydrophobicContact CB-CG 4.02Å; L241-Y245 HydrophobicContact CD1-CD1 3.94Å; L241-Y245 HydrophobicContact CD1-CE1 3.82Å; L241-Y245 HydrophobicContact CD1-CE2 4.42Å; L241-Y245 HydrophobicContact CD1-CG 4.33Å; S242-Y245 WeakPolarHBondContact O-CB 3.26Å; S242-Y245 PolarHBondContact O-N 3.17Å; S242-Y245 WeakPolarHBondContact OG-CD2 3.32Å; Y245-G248 CarbonylContact O-C 3.6Å; Y245-G248 PolarHBondContact O-N 2.98Å; Y245-G249 PolarHBondContact O-N 3.3Å
246A97.9Very high97.4Very high2 Ų244.2 Ų44.22%0.01722%0.218CC..Hα-helixtrans-62.9-44.517700000112.4A239 S242 G249 V250 I301 L305A239-A246 HydrophobicContact CB-CB 4.12Å; S242-A246 PolarHBondContact O-N 2.93Å; A246-G249 PolarHBondContact O-N 2.88Å; A246-V250 PolarHBondContact O-N 3.34Å; A246-V250 VanDerWaalsContact O-N 3.15Å; A246-I301 HydrophobicContact CB-CG2 4.18Å; A246-I301 VanDerWaalsContact O-CG2 3.26Å; A246-I301 WeakPolarHBondContact O-CG2 3.28Å; A246-L305 HydrophobicContact CB-CD1 4.26Å; A246-L305 HydrophobicContact CB-CD2 3.55Å; A246-L305 HydrophobicContact CB-CG 3.76Å
247K97.8Very high97.4Very high130 Ų13036.8 Ų36.857%0.56519%0.191SC*.Hα-helixtrans-60-45.6172.5-75.9179179.2-175.20111.7K243 I244 G249 V250 E251K243-K247 WeakPolarHBondContact O-CG 3.45Å; K243-K247 PolarHBondContact O-N 3.35Å; I244-K247 PolarHBondContact O-N 2.92Å; K247-G249 VanDerWaalsContact C-N 3.26Å; K247-G249 PolarHBondContact O-N 3.04Å; K247-V250 PolarHBondContact O-N 3.23Å; K247-E251 PolarHBondContact O-N 2.95Å; K247-E251 VanDerWaalsContact O-N 3.12Å
248G97.9Very high97.4Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-57.1-38.7174.500000112.7A152 I244 Y245 E251 F252A152-G248 WeakPolarHBondContact CA-O 3.4Å; A152-G248 WeakPolarHBondContact CB-O 3.5Å; I244-G248 PolarHBondContact O-N 3.1Å; Y245-G248 CarbonylContact O-C 3.6Å; Y245-G248 PolarHBondContact O-N 2.98Å; G248-E251 PolarHBondContact O-N 3.11Å; G248-F252 VanDerWaalsContact O-CB 3.25Å; G248-F252 WeakPolarHBondContact O-CB 3.38Å; G248-F252 PolarHBondContact O-N 2.88Å
249G98Very high97.3Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-67.2-37.6177.400000114.4Y245 A246 K247 F252 Y253Y245-G249 PolarHBondContact O-N 3.3Å; A246-G249 PolarHBondContact O-N 2.88Å; K247-G249 VanDerWaalsContact C-N 3.26Å; K247-G249 PolarHBondContact O-N 3.04Å; G249-F252 PolarHBondContact O-N 3.31Å; G249-Y253 VanDerWaalsContact O-CD2 3.3Å; G249-Y253 WeakPolarHBondContact O-CD2 3.35Å; G249-Y253 PolarHBondContact O-N 3.19Å; G249-Y253 VanDerWaalsContact O-N 3.13Å
250V98.4Very high97.1Very high27 Ų2735 Ų3516%0.16419%0.19CC..Hα-helixtrans-64.1-46.5173.3177.40000110.7A246 K247 N254 R298 I301 V302 L305A246-V250 PolarHBondContact O-N 3.34Å; A246-V250 VanDerWaalsContact O-N 3.15Å; K247-V250 PolarHBondContact O-N 3.23Å; V250-N254 WeakPolarHBondContact O-CB 3.45Å; V250-N254 PolarHBondContact O-N 3.28Å; V250-N254 PolarHBondContact O-ND2 3.15Å; V250-R298 HydrophobicContact CG1-CG 4.36Å; V250-I301 HydrophobicContact CG2-CB 4.34Å; V250-I301 HydrophobicContact CG2-CG2 3.84Å; V250-V302 HydrophobicContact CG1-CG2 4.14Å; V250-V302 HydrophobicContact CG2-CG2 3.68Å; V250-L305 HydrophobicContact CG2-CD1 3.87Å
251E98.2Very high97.1Very high57 Ų5737.3 Ų37.327%0.26619%0.186SC..Hα-helixtrans-61-47.9175.8-176.1-168.5144.300111.4S149 A152 K247 G248 Y253 N254 K255S149-E251 VanDerWaalsContact CB-OE1 3.31Å; S149-E251 WeakPolarHBondContact CB-OE1 3.42Å; S149-E251 WeakPolarHBondContact CB-OE2 3.36Å; S149-E251 PolarHBondContact N-OE1 3.39Å; S149-E251 PolarHBondContact OG-OE1 3.23Å; S149-E251 PolarHBondContact OG-OE2 3.05Å; A152-E251 HydrophobicContact CB-CB 4.18Å; A152-E251 HydrophobicContact CB-CG 4.2Å; K247-E251 PolarHBondContact O-N 2.95Å; K247-E251 VanDerWaalsContact O-N 3.12Å; G248-E251 PolarHBondContact O-N 3.11Å; E251-Y253 VanDerWaalsContact C-N 3.33Å; E251-Y253 PolarHBondContact O-N 2.77Å; E251-N254 PolarHBondContact O-N 3.37Å; E251-N254 VanDerWaalsContact O-N 3.09Å; E251-K255 HydrophobicContact CG-CG 4.16Å; E251-K255 WeakPolarHBondContact O-CB 3.5Å; E251-K255 WeakPolarHBondContact O-CG 3.4Å; E251-K255 PolarHBondContact O-N 3.24Å
252F97.9Very high97Very high1 Ų135.5 Ų35.50%0.00418%0.177CC..Hα-helixtrans-52.8-49.5-179.7173.3-103.4000111.8F148 A152 F155 A156 G248 G249 K255 I256F148-F252 HydrophobicContact CD1-CD2 4.06Å; F148-F252 AromaticContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CE2 4.23Å; F148-F252 HydrophobicContact CE1-CG 4.42Å; F148-F252 HydrophobicContact CZ-CD2 4.36Å; A152-F252 HydrophobicContact CB-CB 4.24Å; F155-F252 HydrophobicContact CD1-CB 3.95Å; F155-F252 AromaticContact CD1-CD1 3.91Å; F155-F252 HydrophobicContact CD1-CD1 3.91Å; F155-F252 HydrophobicContact CD1-CG 4.02Å; F155-F252 HydrophobicContact CE1-CB 4.41Å; F155-F252 AromaticContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CE1 4.31Å; F155-F252 HydrophobicContact CE1-CG 4.29Å; A156-F252 HydrophobicContact CB-CD2 3.61Å; A156-F252 HydrophobicContact CB-CE2 3.38Å; A156-F252 HydrophobicContact CB-CG 4.39Å; A156-F252 HydrophobicContact CB-CZ 4Å; G248-F252 VanDerWaalsContact O-CB 3.25Å; G248-F252 WeakPolarHBondContact O-CB 3.38Å; G248-F252 PolarHBondContact O-N 2.88Å; G249-F252 PolarHBondContact O-N 3.31Å; F252-K255 PolarHBondContact O-N 3.15Å; F252-I256 HydrophobicContact CD1-CD1 3.93Å; F252-I256 HydrophobicContact CD2-CD1 4.4Å; F252-I256 HydrophobicContact CE1-CD1 3.33Å; F252-I256 HydrophobicContact CE2-CD1 3.86Å; F252-I256 HydrophobicContact CE2-CG1 4.48Å; F252-I256 HydrophobicContact CG-CD1 4.45Å; F252-I256 HydrophobicContact CZ-CD1 3.31Å; F252-I256 HydrophobicContact CZ-CG1 4.37Å; F252-I256 WeakPolarHBondContact O-CG1 3.45Å; F252-I256 PolarHBondContact O-N 3.12Å
253Y98.1Very high96.8Very high1 Ų134.6 Ų34.60%0.00417%0.168CC..Hα-helixtrans-70.6-35.7178-76.8-59.7000113.2F155 R159 D235 G249 E251 K255 I256 L257 Y294 R297 R298 I301F155-Y253 AromaticContact CE1-CE2 3.92Å; F155-Y253 HydrophobicContact CE1-CE2 3.92Å; F155-Y253 HydrophobicContact CZ-CE2 4.04Å; R159-Y253 PolarHBondContact NE-OH 2.95Å; D235-Y253 PolarHBondContact OD1-OH 3.2Å; D235-Y253 WeakPolarHBondContact OD2-CE2 3.11Å; D235-Y253 PolarHBondContact OD2-OH 2.88Å; G249-Y253 VanDerWaalsContact O-CD2 3.3Å; G249-Y253 WeakPolarHBondContact O-CD2 3.35Å; G249-Y253 PolarHBondContact O-N 3.19Å; G249-Y253 VanDerWaalsContact O-N 3.13Å; E251-Y253 VanDerWaalsContact C-N 3.33Å; E251-Y253 PolarHBondContact O-N 2.77Å; Y253-K255 VanDerWaalsContact C-N 3.32Å; Y253-K255 PolarHBondContact O-N 3.46Å; Y253-I256 HydrophobicContact CD1-CD1 4.39Å; Y253-I256 HydrophobicContact CE1-CD1 4.48Å; Y253-I256 PolarHBondContact O-N 2.86Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 WeakPolarHBondContact O-CG 3.27Å; Y253-L257 PolarHBondContact O-N 3.34Å; Y253-Y294 AromaticContact CD1-CD1 3.92Å; Y253-Y294 HydrophobicContact CD1-CD1 3.92Å; Y253-Y294 HydrophobicContact CD1-CG 4.33Å; Y253-Y294 AromaticContact CE1-CD1 3.71Å; Y253-Y294 HydrophobicContact CE1-CD1 3.71Å; Y253-Y294 HydrophobicContact CE1-CE1 4.41Å; Y253-R297 HydrophobicContact CD2-CB 4.42Å; Y253-R297 HydrophobicContact CE1-CB 4.19Å; Y253-R297 HydrophobicContact CE2-CB 3.97Å; Y253-R297 PolarHBondContact OH-NE 3.46Å; Y253-R297 PolarHBondContact OH-NH2 3.4Å; Y253-R298 HydrophobicContact CD2-CB 4.25Å; Y253-R298 HydrophobicContact CG-CB 4.15Å; Y253-I301 HydrophobicContact CD2-CD1 3.88Å; Y253-I301 HydrophobicContact CE2-CD1 3.7Å
254N98.2Very high96.7Very high71 Ų7132.1 Ų32.138%0.3816%0.156SC..Hα-helixtrans-61.6-41.7173.5-76.9-27.9000111.8V250 E251 L257 S258 R298V250-N254 WeakPolarHBondContact O-CB 3.45Å; V250-N254 PolarHBondContact O-N 3.28Å; V250-N254 PolarHBondContact O-ND2 3.15Å; E251-N254 PolarHBondContact O-N 3.37Å; E251-N254 VanDerWaalsContact O-N 3.09Å; N254-L257 PolarHBondContact O-N 2.9Å; N254-S258 WeakPolarHBondContact O-CB 3.3Å; N254-S258 PolarHBondContact O-N 2.92Å; N254-R298 WeakPolarHBondContact OD1-CD 3.4Å; N254-R298 PolarHBondContact OD1-NH1 2.88Å
255K97.3Very high96.5Very high32 Ų3231.7 Ų31.714%0.13916%0.161CC..Hα-helixtrans-65.9-41.9175.4-71.7-75-176.5177.20111.7D144 V147 F148 E251 F252 Y253 S258 R259D144-K255 PolarHBondContact O-NZ 3.35Å; D144-K255 IonicContact OD1-NZ 2.81Å; D144-K255 PolarHBondContact OD1-NZ 3.07Å; D144-K255 IonicContact OD2-NZ 3.83Å; D144-K255 PolarHBondContact OD2-NZ 3.17Å; V147-K255 WeakPolarHBondContact O-CE 3.49Å; F148-K255 HydrophobicContact CD1-CB 4.08Å; F148-K255 HydrophobicContact CD1-CG 4.26Å; F148-K255 HydrophobicContact CE1-CB 3.48Å; F148-K255 VanDerWaalsContact CE1-CB 3.48Å; F148-K255 HydrophobicContact CE1-CG 4.17Å; F148-K255 HydrophobicContact CZ-CB 3.95Å; E251-K255 HydrophobicContact CG-CG 4.16Å; E251-K255 WeakPolarHBondContact O-CB 3.5Å; E251-K255 WeakPolarHBondContact O-CG 3.4Å; E251-K255 PolarHBondContact O-N 3.24Å; F252-K255 PolarHBondContact O-N 3.15Å; Y253-K255 VanDerWaalsContact C-N 3.32Å; Y253-K255 PolarHBondContact O-N 3.46Å; K255-S258 PolarHBondContact O-N 3.09Å; K255-R259 WeakPolarHBondContact O-CB 3.35Å; K255-R259 PolarHBondContact O-N 3.27Å
256I96Very high96.2Very high6 Ų633.7 Ų33.73%0.03117%0.172CC..Hα-helixtrans-59.8-48.2172.3-73.5177.4000111.8F252 Y253 S258 R259 N260 Y294F252-I256 HydrophobicContact CD1-CD1 3.93Å; F252-I256 HydrophobicContact CD2-CD1 4.4Å; F252-I256 HydrophobicContact CE1-CD1 3.33Å; F252-I256 HydrophobicContact CE2-CD1 3.86Å; F252-I256 HydrophobicContact CE2-CG1 4.48Å; F252-I256 HydrophobicContact CG-CD1 4.45Å; F252-I256 HydrophobicContact CZ-CD1 3.31Å; F252-I256 HydrophobicContact CZ-CG1 4.37Å; F252-I256 WeakPolarHBondContact O-CG1 3.45Å; F252-I256 PolarHBondContact O-N 3.12Å; Y253-I256 HydrophobicContact CD1-CD1 4.39Å; Y253-I256 HydrophobicContact CE1-CD1 4.48Å; Y253-I256 PolarHBondContact O-N 2.86Å; I256-S258 VanDerWaalsContact C-N 3.34Å; I256-S258 PolarHBondContact O-N 3.45Å; I256-R259 PolarHBondContact O-N 3.45Å; I256-N260 WeakPolarHBondContact O-CB 3.48Å; I256-N260 PolarHBondContact O-N 2.99Å; I256-N260 PolarHBondContact O-OD1 3.35Å; I256-Y294 HydrophobicContact CG2-CD1 4.34Å; I256-Y294 HydrophobicContact CG2-CD2 3.69Å; I256-Y294 HydrophobicContact CG2-CE1 4.39Å; I256-Y294 HydrophobicContact CG2-CE2 3.73Å; I256-Y294 HydrophobicContact CG2-CG 4.01Å
257L97.1Very high95.8Very high7 Ų735.3 Ų35.34%0.03718%0.18CC..Hα-helixtrans-62.8-42.6180-70.8168.2000110.8Y253 N254 N260 K261 T295Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 WeakPolarHBondContact O-CG 3.27Å; Y253-L257 PolarHBondContact O-N 3.34Å; N254-L257 PolarHBondContact O-N 2.9Å; L257-N260 PolarHBondContact O-N 3.28Å; L257-K261 WeakPolarHBondContact O-CG 3.37Å; L257-K261 PolarHBondContact O-N 3.46Å; L257-T295 HydrophobicContact CD1-CG2 3.97Å; L257-T295 HydrophobicContact CD2-CG2 3.94Å
258S97.1Very high95.5Very high44 Ų4430.9 Ų30.931%0.30817%0.171SC..Hα-helixtrans-60.4-50.9175.1-172.20000111.3N254 K255 I256 N260 K261 T262N254-S258 WeakPolarHBondContact O-CB 3.3Å; N254-S258 PolarHBondContact O-N 2.92Å; K255-S258 PolarHBondContact O-N 3.09Å; I256-S258 VanDerWaalsContact C-N 3.34Å; I256-S258 PolarHBondContact O-N 3.45Å; S258-N260 VanDerWaalsContact C-N 3.29Å; S258-N260 PolarHBondContact O-N 3.08Å; S258-K261 PolarHBondContact O-N 2.88Å; S258-K261 VanDerWaalsContact O-N 3.14Å; S258-T262 PolarHBondContact O-N 3.12Å; S258-T262 PolarHBondContact O-OG1 3.27Å; S258-T262 VanDerWaalsContact O-OG1 3.12Å
259R95.1Very high95.2Very high19 Ų1937.8 Ų37.87%0.07220%0.203CC..Hα-helixtrans-53.4-47.4176.1-176.7-163.569-160-0.4111.2L142 A145 L146 K255 I256 T262 L263L142-R259 HydrophobicContact CD1-CG 3.81Å; A145-R259 HydrophobicContact CB-CB 3.88Å; L146-R259 HydrophobicContact CD2-CG 4.12Å; K255-R259 WeakPolarHBondContact O-CB 3.35Å; K255-R259 PolarHBondContact O-N 3.27Å; I256-R259 PolarHBondContact O-N 3.45Å; R259-T262 PolarHBondContact O-N 3.08Å; R259-L263 HydrophobicContact CG-CD1 4.02Å; R259-L263 HydrophobicContact CG-CG 4.41Å; R259-L263 WeakPolarHBondContact O-CB 3.45Å; R259-L263 VanDerWaalsContact O-CG 3.31Å; R259-L263 WeakPolarHBondContact O-CG 3.47Å; R259-L263 PolarHBondContact O-N 3.49Å
260N95.3Very high94.8Very high0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-66.8-36.8-177.9-71.41.7000112.4I256 L257 S258 L263 R264 Y275 G279 Y294I256-N260 WeakPolarHBondContact O-CB 3.48Å; I256-N260 PolarHBondContact O-N 2.99Å; I256-N260 PolarHBondContact O-OD1 3.35Å; L257-N260 PolarHBondContact O-N 3.28Å; S258-N260 VanDerWaalsContact C-N 3.29Å; S258-N260 PolarHBondContact O-N 3.08Å; N260-L263 PolarHBondContact O-N 3.41Å; N260-R264 WeakPolarHBondContact O-CB 3.47Å; N260-R264 PolarHBondContact O-N 2.87Å; N260-Y275 HydrophobicContact CB-CD1 3.49Å; N260-Y275 VanDerWaalsContact CB-CD1 3.49Å; N260-Y275 HydrophobicContact CB-CE1 3.78Å; N260-Y275 HydrophobicContact CB-CG 4.17Å; N260-Y275 VanDerWaalsContact CG-CE1 3.45Å; N260-G279 WeakPolarHBondContact CB-O 3.39Å; N260-G279 PolarHBondContact ND2-O 3.49Å; N260-Y294 WeakPolarHBondContact ND2-CE2 3.22Å
261K95.6Very high94.4Very high101 Ų10142.9 Ų42.944%0.43922%0.223SC..Hα-helixtrans-64.6-40.4172.3-70.5173.6-175-176.10112L257 S258 R264 S265 P277 S278L257-K261 WeakPolarHBondContact O-CG 3.37Å; L257-K261 PolarHBondContact O-N 3.46Å; S258-K261 PolarHBondContact O-N 2.88Å; S258-K261 VanDerWaalsContact O-N 3.14Å; K261-R264 WeakPolarHBondContact O-CB 3.39Å; K261-R264 PolarHBondContact O-N 3.42Å; K261-S265 PolarHBondContact O-N 3.3Å; K261-S265 PolarHBondContact O-OG 3.26Å; K261-P277 WeakPolarHBondContact CE-O 3.35Å; K261-S278 WeakPolarHBondContact CE-O 3.4Å
262T94.8Very high94.1Very high14 Ų1445 Ų459%0.08623%0.233CC..Hα-helixtrans-65.6-45.1176.3-57.10000111I138 A141 L142 S258 R259 R264 S265 L266I138-T262 HydrophobicContact CG2-CG2 3.6Å; I138-T262 WeakPolarHBondContact O-CG2 3.4Å; A141-T262 HydrophobicContact CB-CG2 4.49Å; L142-T262 HydrophobicContact CB-CG2 3.7Å; L142-T262 HydrophobicContact CD1-CG2 4.28Å; L142-T262 HydrophobicContact CG-CG2 4.5Å; S258-T262 PolarHBondContact O-N 3.12Å; S258-T262 PolarHBondContact O-OG1 3.27Å; S258-T262 VanDerWaalsContact O-OG1 3.12Å; R259-T262 PolarHBondContact O-N 3.08Å; T262-R264 VanDerWaalsContact C-N 3.34Å; T262-R264 PolarHBondContact O-N 3.49Å; T262-S265 PolarHBondContact O-N 3.07Å; T262-S265 VanDerWaalsContact O-N 3.15Å; T262-L266 HydrophobicContact CG2-CD1 3.83Å; T262-L266 HydrophobicContact CG2-CG 4.37Å; T262-L266 WeakPolarHBondContact O-CG 3.32Å; T262-L266 PolarHBondContact O-N 2.88Å
263L92.4Very high93.8Very high24 Ų2451 Ų5113%0.12626%0.261CS..Hα-helixtrans-63.5-36.7174.8-70.3174.7000112.6I127 L142 R259 N260 S265 L266 M267 Y275I127-L263 HydrophobicContact CD1-CD2 3.66Å; L142-L263 HydrophobicContact CD1-CD2 4.35Å; L142-L263 HydrophobicContact CD1-CG 4.39Å; L142-L263 HydrophobicContact CD2-CD2 4.48Å; R259-L263 HydrophobicContact CG-CD1 4.02Å; R259-L263 HydrophobicContact CG-CG 4.41Å; R259-L263 WeakPolarHBondContact O-CB 3.45Å; R259-L263 VanDerWaalsContact O-CG 3.31Å; R259-L263 WeakPolarHBondContact O-CG 3.47Å; R259-L263 PolarHBondContact O-N 3.49Å; N260-L263 PolarHBondContact O-N 3.41Å; L263-S265 PolarHBondContact O-N 3.33Å; L263-L266 PolarHBondContact O-N 3.04Å; L263-M267 HydrophobicContact CB-SD 4.41Å; L263-M267 VanDerWaalsContact O-CB 3.27Å; L263-M267 WeakPolarHBondContact O-CB 3.43Å; L263-M267 VanDerWaalsContact O-CG 3.28Å; L263-M267 WeakPolarHBondContact O-CG 3.32Å; L263-M267 PolarHBondContact O-N 3.35Å; L263-Y275 HydrophobicContact CB-CD2 4.26Å; L263-Y275 HydrophobicContact CB-CE2 3.69Å; L263-Y275 HydrophobicContact CD1-CE2 4.45Å
264R93.6Very high93.3Very high44 Ų4455.1 Ų55.117%0.16628%0.281CS..Hα-helixtrans-52.3-46.5172-173.4-175.516589.88110.8N260 K261 T262 E272 Y275N260-R264 WeakPolarHBondContact O-CB 3.47Å; N260-R264 PolarHBondContact O-N 2.87Å; K261-R264 WeakPolarHBondContact O-CB 3.39Å; K261-R264 PolarHBondContact O-N 3.42Å; T262-R264 VanDerWaalsContact C-N 3.34Å; T262-R264 PolarHBondContact O-N 3.49Å; R264-E272 HydrophobicContact CG-CG 4.33Å; R264-E272 VanDerWaalsContact CZ-CA 3.49Å; R264-E272 IonicContact CZ-OE1 3.05Å; R264-E272 IonicContact NE-OE1 3.52Å; R264-E272 VanDerWaalsContact NH1-CA 3.27Å; R264-E272 PolarHBondContact NH1-O 2.74Å; R264-E272 VanDerWaalsContact NH2-CB 3.34Å; R264-E272 VanDerWaalsContact NH2-CG 3.34Å; R264-E272 IonicContact NH2-OE1 3.91Å; R264-E272 PolarHBondContact NH2-OE1 3.36Å; R264-E272 IonicContact NH2-OE2 2.63Å; R264-Y275 HydrophobicContact CB-CD2 4.34Å; R264-Y275 WeakPolarHBondContact CD-O 3.49Å; R264-Y275 PolarHBondContact NH1-O 3.44Å
265S92.4Very high93Very high81 Ų8152.9 Ų52.957%0.56627%0.268SS*.Hα-helixtrans-72.9-46.5-178.4-51.70000111.8K261 T262 L263 M267 G268K261-S265 PolarHBondContact O-N 3.3Å; K261-S265 PolarHBondContact O-OG 3.26Å; T262-S265 PolarHBondContact O-N 3.07Å; T262-S265 VanDerWaalsContact O-N 3.15Å; L263-S265 PolarHBondContact O-N 3.33Å; S265-M267 VanDerWaalsContact C-N 3.29Å; S265-M267 PolarHBondContact O-N 3.28Å; S265-G268 PolarHBondContact O-N 2.99Å
266L90.8Very high92.8Very high47 Ų4752 Ų5225%0.24627%0.266CS..Hα-helixtrans-64.2-32-178.7-71.9170.2000113.3I127 I138 L142 T262 L263I127-L266 HydrophobicContact CD1-CB 4Å; I127-L266 HydrophobicContact CD1-CD1 3.62Å; I127-L266 HydrophobicContact CD1-CG 4.38Å; I127-L266 HydrophobicContact CG2-CB 4.09Å; I138-L266 HydrophobicContact CB-CD2 4.07Å; I138-L266 HydrophobicContact CG2-CD1 3.94Å; I138-L266 HydrophobicContact CG2-CD2 3.37Å; I138-L266 HydrophobicContact CG2-CG 3.47Å; I138-L266 VanDerWaalsContact CG2-CG 3.47Å; L142-L266 HydrophobicContact CD2-CD1 3.84Å; T262-L266 HydrophobicContact CG2-CD1 3.83Å; T262-L266 HydrophobicContact CG2-CG 4.37Å; T262-L266 WeakPolarHBondContact O-CG 3.32Å; T262-L266 PolarHBondContact O-N 2.88Å; L263-L266 PolarHBondContact O-N 3.04Å
267M90.8Very high92.6Very high36 Ų3656.2 Ų56.218%0.17729%0.294CS..THydrogen-bonded Turntrans-87.8-5.9-177.9-67.3174.868.400113.4I127 N128 L263 S265 K270 Y275I127-M267 HydrophobicContact CG2-CG 3.57Å; N128-M267 WeakPolarHBondContact ND2-CA 3.37Å; N128-M267 PolarHBondContact ND2-O 3.27Å; L263-M267 HydrophobicContact CB-SD 4.41Å; L263-M267 VanDerWaalsContact O-CB 3.27Å; L263-M267 WeakPolarHBondContact O-CB 3.43Å; L263-M267 VanDerWaalsContact O-CG 3.28Å; L263-M267 WeakPolarHBondContact O-CG 3.32Å; L263-M267 PolarHBondContact O-N 3.35Å; S265-M267 VanDerWaalsContact C-N 3.29Å; S265-M267 PolarHBondContact O-N 3.28Å; M267-K270 HydrophobicContact CB-CB 4.49Å; M267-K270 HydrophobicContact CE-CB 4.27Å; M267-Y275 HydrophobicContact SD-CE2 4.04Å
268G90.8Very high92.5Very high36 Ų3658 Ų5837%0.37131%0.307SS..THydrogen-bonded Turntrans58.6-136-174.100000111.8S265 K270 G271 E272S265-G268 PolarHBondContact O-N 2.99Å; G268-K270 VanDerWaalsContact C-N 3.28Å; G268-K270 PolarHBondContact O-N 3.49Å; G268-G271 WeakPolarHBondContact O-CA 3.24Å; G268-G271 PolarHBondContact O-N 3.4Å; G268-E272 WeakPolarHBondContact O-CG 3.31Å; G268-E272 PolarHBondContact O-N 3.3Å
269Q90.9Very high92.3Very high146 Ų14656 Ų5668%0.68229%0.293SS*.Hα-helixtrans-52.4-41.4-177.6-173.7178.6-4.700113.6G271 E272 E273Q269-G271 VanDerWaalsContact C-N 3.27Å; Q269-G271 PolarHBondContact O-N 3.41Å; Q269-E272 WeakPolarHBondContact O-CB 3.42Å; Q269-E272 PolarHBondContact O-N 2.72Å; Q269-E273 PolarHBondContact NE2-OE1 3.21Å; Q269-E273 WeakPolarHBondContact O-CG 3.19Å; Q269-E273 PolarHBondContact O-N 2.9Å
270K89.8Confident92.2Very high134 Ų13456 Ų5658%0.58330%0.295SS*.Hα-helixtrans-62.9-35.9176.9-69.5-178.2-179.7174.20112.3M267 G268 E272 M274M267-K270 HydrophobicContact CB-CB 4.49Å; M267-K270 HydrophobicContact CE-CB 4.27Å; G268-K270 VanDerWaalsContact C-N 3.28Å; G268-K270 PolarHBondContact O-N 3.49Å; K270-E272 VanDerWaalsContact C-N 3.32Å; K270-M274 WeakPolarHBondContact O-CB 3.44Å; K270-M274 PolarHBondContact O-N 3.47Å
271G90.8Very high91.9Very high0 Ų059.6 Ų59.60%031%0.313CS..Hα-helixtrans-66.7-39.3174.200000111.3G268 Q269 E273 M274 Y275G268-G271 WeakPolarHBondContact O-CA 3.24Å; G268-G271 PolarHBondContact O-N 3.4Å; Q269-G271 VanDerWaalsContact C-N 3.27Å; Q269-G271 PolarHBondContact O-N 3.41Å; G271-E273 VanDerWaalsContact C-N 3.32Å; G271-E273 PolarHBondContact O-N 2.94Å; G271-M274 PolarHBondContact O-N 3.3Å; G271-Y275 PolarHBondContact O-N 2.96Å
272E92Very high91.3Very high102 Ų10259.1 Ų59.148%0.47731%0.311SS..Hα-helixtrans-65.9-33.7179.8-59-150.1122.400113.9R264 G268 Q269 K270 F282R264-E272 HydrophobicContact CG-CG 4.33Å; R264-E272 VanDerWaalsContact CZ-CA 3.49Å; R264-E272 IonicContact CZ-OE1 3.05Å; R264-E272 IonicContact NE-OE1 3.52Å; R264-E272 VanDerWaalsContact NH1-CA 3.27Å; R264-E272 PolarHBondContact NH1-O 2.74Å; R264-E272 VanDerWaalsContact NH2-CB 3.34Å; R264-E272 VanDerWaalsContact NH2-CG 3.34Å; R264-E272 IonicContact NH2-OE1 3.91Å; R264-E272 PolarHBondContact NH2-OE1 3.36Å; R264-E272 IonicContact NH2-OE2 2.63Å; G268-E272 WeakPolarHBondContact O-CG 3.31Å; G268-E272 PolarHBondContact O-N 3.3Å; Q269-E272 WeakPolarHBondContact O-CB 3.42Å; Q269-E272 PolarHBondContact O-N 2.72Å; K270-E272 VanDerWaalsContact C-N 3.32Å; E272-F282 WeakPolarHBondContact O-CD2 3.45Å; E272-F282 VanDerWaalsContact O-CE2 3.29Å; E272-F282 WeakPolarHBondContact O-CE2 3.32Å
273E90.1Very high89.9Confident126 Ų12661.4 Ų61.459%0.58933%0.326SS*.Hα-helixtrans-73.8-29.6174.1-69.5170.3-171.900112.3Q269 G271 F282Q269-E273 PolarHBondContact NE2-OE1 3.21Å; Q269-E273 WeakPolarHBondContact O-CG 3.19Å; Q269-E273 PolarHBondContact O-N 2.9Å; G271-E273 VanDerWaalsContact C-N 3.32Å; G271-E273 PolarHBondContact O-N 2.94Å; E273-F282 WeakPolarHBondContact O-CB 3.23Å
274M88.9Confident88.4Confident88 Ų8864.4 Ų64.443%0.43335%0.354SS..Hα-helixtrans-90.6-38.3-174.7-174.9174-70.700113.7K270 G271 F282K270-M274 WeakPolarHBondContact O-CB 3.44Å; K270-M274 PolarHBondContact O-N 3.47Å; G271-M274 PolarHBondContact O-N 3.3Å; M274-F282 PolarHBondContact O-N 2.87Å
275Y92.2Very high86.8Confident24 Ų2468.2 Ų68.29%0.09437%0.374CS..BIsolated β-bridgetrans-121.8126.2-170.9-59.2-71.7000110.8N260 L263 R264 M267 G271 N280 L281N260-Y275 HydrophobicContact CB-CD1 3.49Å; N260-Y275 VanDerWaalsContact CB-CD1 3.49Å; N260-Y275 HydrophobicContact CB-CE1 3.78Å; N260-Y275 HydrophobicContact CB-CG 4.17Å; N260-Y275 VanDerWaalsContact CG-CE1 3.45Å; L263-Y275 HydrophobicContact CB-CD2 4.26Å; L263-Y275 HydrophobicContact CB-CE2 3.69Å; L263-Y275 HydrophobicContact CD1-CE2 4.45Å; R264-Y275 HydrophobicContact CB-CD2 4.34Å; R264-Y275 WeakPolarHBondContact CD-O 3.49Å; R264-Y275 PolarHBondContact NH1-O 3.44Å; M267-Y275 HydrophobicContact SD-CE2 4.04Å; G271-Y275 PolarHBondContact O-N 2.96Å; Y275-N280 CarbonylContact C-O 3.31Å; Y275-N280 WeakPolarHBondContact CA-O 3.17Å; Y275-L281 HydrophobicContact CD1-CD2 3.71Å; Y275-L281 HydrophobicContact CE1-CD2 3.51Å
276A92.1Very high84.9Confident13 Ų1373 Ų7311%0.10739%0.393CS..  trans-63.5157.2170.100000111.5S278 G279 N280 F282A276-S278 PolarHBondContact O-N 3.14Å; A276-G279 WeakPolarHBondContact O-CA 3.23Å; A276-G279 PolarHBondContact O-N 2.98Å; A276-N280 HydrophobicContact CB-CB 4.32Å; A276-N280 PolarHBondContact N-O 2.94Å; A276-F282 VanDerWaalsContact CA-CE2 3.4Å; A276-F282 HydrophobicContact CB-CD1 4.38Å; A276-F282 HydrophobicContact CB-CD2 4.43Å; A276-F282 HydrophobicContact CB-CE1 3.98Å; A276-F282 HydrophobicContact CB-CE2 4.04Å; A276-F282 HydrophobicContact CB-CZ 3.8Å
277P93Very high83.1Confident94 Ų9478 Ų7861%0.6142%0.418SS*.THydrogen-bonded Turntrans-55.1-25.2173.3-26.935.4000113.8K261 G279K261-P277 WeakPolarHBondContact CE-O 3.35Å; P277-G279 VanDerWaalsContact C-N 3.26Å; P277-G279 PolarHBondContact O-N 3.41Å
278S93.3Very high82Confident46 Ų4679.8 Ų79.832%0.32242%0.423SS..THydrogen-bonded Turntrans-71.2-17.4173.966.30000114K261 A276 N280K261-S278 WeakPolarHBondContact CE-O 3.4Å; A276-S278 PolarHBondContact O-N 3.14Å; S278-N280 PolarHBondContact OG-N 2.79Å; S278-N280 PolarHBondContact OG-ND2 3.45Å; S278-N280 VanDerWaalsContact OG-ND2 3.09Å
279G93.1Very high81.1Confident0 Ų082.8 Ų82.80%043%0.43CS..SBendtrans92.3-0.8-169.800000114.1N260 A276 P277N260-G279 WeakPolarHBondContact CB-O 3.39Å; N260-G279 PolarHBondContact ND2-O 3.49Å; A276-G279 WeakPolarHBondContact O-CA 3.23Å; A276-G279 PolarHBondContact O-N 2.98Å; P277-G279 VanDerWaalsContact C-N 3.26Å; P277-G279 PolarHBondContact O-N 3.41Å
280N94.1Very high80.6Confident21 Ų2180.2 Ų80.211%0.11242%0.417CS..PPolyproline II helixtrans-69.3157.9170.8-71.7-40.1000110.9Y275 A276 S278 Y294 T295Y275-N280 CarbonylContact C-O 3.31Å; Y275-N280 WeakPolarHBondContact CA-O 3.17Å; A276-N280 HydrophobicContact CB-CB 4.32Å; A276-N280 PolarHBondContact N-O 2.94Å; S278-N280 PolarHBondContact OG-N 2.79Å; S278-N280 PolarHBondContact OG-ND2 3.45Å; S278-N280 VanDerWaalsContact OG-ND2 3.09Å; N280-Y294 PolarHBondContact OD1-N 3.48Å; N280-T295 WeakPolarHBondContact ND2-CG2 3.37Å; N280-T295 PolarHBondContact ND2-OG1 2.92Å; N280-T295 PolarHBondContact OD1-N 3.34Å
281L89.1Confident80.5Confident75 Ų7578.1 Ų78.139%0.39341%0.409SS..BIsolated β-bridgetrans-74.7137.3169.6-61.8173.5000109.5Y275 Y294Y275-L281 HydrophobicContact CD1-CD2 3.71Å; Y275-L281 HydrophobicContact CE1-CD2 3.51Å; L281-Y294 HydrophobicContact CD1-CE2 4.09Å; L281-Y294 HydrophobicContact CG-CE2 3.88Å
282F81.8Confident80.6Confident91 Ų9178.3 Ų78.340%0.39941%0.41SS..PPolyproline II helixtrans-73.7146.7165.1-83.7-57.9000110.1E272 E273 M274 A276 A284E272-F282 WeakPolarHBondContact O-CD2 3.45Å; E272-F282 VanDerWaalsContact O-CE2 3.29Å; E272-F282 WeakPolarHBondContact O-CE2 3.32Å; E273-F282 WeakPolarHBondContact O-CB 3.23Å; M274-F282 PolarHBondContact O-N 2.87Å; A276-F282 VanDerWaalsContact CA-CE2 3.4Å; A276-F282 HydrophobicContact CB-CD1 4.38Å; A276-F282 HydrophobicContact CB-CD2 4.43Å; A276-F282 HydrophobicContact CB-CE1 3.98Å; A276-F282 HydrophobicContact CB-CE2 4.04Å; A276-F282 HydrophobicContact CB-CZ 3.8Å; F282-A284 PolarHBondContact O-N 2.88Å
283P65.3Low80.7Confident61 Ų6176.1 Ų76.140%0.39641%0.405SS..PPolyproline II helixtrans-62123.8173.524.3-29.4000109.3H285 R288 L289P283-H285 PolarHBondContact O-N 3.43Å; P283-H285 VanDerWaalsContact O-N 3.09Å; P283-R288 WeakPolarHBondContact CB-O 3.48Å; P283-L289 HydrophobicContact CB-CD2 3.84Å; P283-L289 HydrophobicContact CB-CG 4.44Å; P283-L289 HydrophobicContact CG-CD2 4.16Å
284A60.8Low80.9Confident87 Ų8772.1 Ų72.172%0.71939%0.385SS*.SBendtrans-60.7-20.9-179.800000113F282F282-A284 PolarHBondContact O-N 2.88Å
285H60.2Low81.3Confident124 Ų12469.5 Ų69.557%0.57437%0.374SS*.BIsolated β-bridgetrans-142.5150.6176.9-53.2-62.1000109.9P283 L287 R288P283-H285 PolarHBondContact O-N 3.43Å; P283-H285 VanDerWaalsContact O-N 3.09Å; H285-L287 PolarHBondContact O-N 3.41Å; H285-R288 HydrophobicContact CB-CB 4.46Å; H285-R288 PolarHBondContact O-N 2.88Å; H285-R288 VanDerWaalsContact O-N 3.09Å
286L53.1Low81.5Confident183 Ų18370.6 Ų70.696%0.95839%0.385SS*.THydrogen-bonded Turntrans-51-19.1-176.7-70.7166.9000115.4
287L52.6Low81.8Confident150 Ų15070.3 Ų70.379%0.78538%0.381SS*.THydrogen-bonded Turntrans-121.16.5-174.1-62.5174.9000114.6H285H285-L287 PolarHBondContact O-N 3.41Å
288R67.8Low82Confident75 Ų7568.7 Ų68.728%0.28336%0.363SS..BIsolated β-bridgetrans-125.6114.7-172.2-161.3177-172.7177.24.1113.3D224 P283 H285D224-R288 WeakPolarHBondContact OD2-CA 3.42Å; P283-R288 WeakPolarHBondContact CB-O 3.48Å; H285-R288 HydrophobicContact CB-CB 4.46Å; H285-R288 PolarHBondContact O-N 2.88Å; H285-R288 VanDerWaalsContact O-N 3.09Å
289L72.6Confident82.2Confident98 Ų9870.3 Ų70.351%0.51337%0.368SS..  trans-119.365.4174.4-71.9166.6000109.2D224 Q228 P283 H291D224-L289 PolarHBondContact OD2-N 2.69Å; Q228-L289 PolarHBondContact NE2-O 3.49Å; P283-L289 HydrophobicContact CB-CD2 3.84Å; P283-L289 HydrophobicContact CB-CG 4.44Å; P283-L289 HydrophobicContact CG-CD2 4.16Å; L289-H291 VanDerWaalsContact C-N 3.27Å; L289-H291 PolarHBondContact O-N 3.11Å
290K80.1Confident82.4Confident93 Ų9372.3 Ų72.340%0.40439%0.388SS..  trans-57.7-37.8-173.7-172.9179.5177.3-173.20113D224 S227D224-K290 WeakPolarHBondContact OD1-CA 3.12Å; S227-K290 WeakPolarHBondContact CB-O 3.49Å
291H87.9Confident82.5Confident90 Ų9071.4 Ų71.442%0.41738%0.384SS..SBendtrans-116.9147.2-175.9-70.7-66.8000111.7D231 L289D231-H291 IonicContact OD1-ND1 3.91Å; D231-H291 WeakPolarHBondContact OD2-CA 3.23Å; D231-H291 WeakPolarHBondContact OD2-CB 3.24Å; D231-H291 IonicContact OD2-CG 3.08Å; D231-H291 IonicContact OD2-ND1 2.66Å; D231-H291 PolarHBondContact OD2-ND1 2.93Å; L289-H291 VanDerWaalsContact C-N 3.27Å; L289-H291 PolarHBondContact O-N 3.11Å
292A92.1Very high82.9Confident3 Ų369.9 Ų69.93%0.02538%0.377CS..  trans-66138.517600000109.9Q228 D231 Y232 Y294 R297Q228-A292 HydrophobicContact CB-CB 4.34Å; Q228-A292 HydrophobicContact CG-CB 4.22Å; D231-A292 HydrophobicContact CB-CB 4.07Å; D231-A292 PolarHBondContact OD2-N 3.25Å; D231-A292 VanDerWaalsContact OD2-N 3.14Å; Y232-A292 HydrophobicContact CD2-CB 4.24Å; Y232-A292 HydrophobicContact CE1-CB 3.96Å; Y232-A292 HydrophobicContact CE2-CB 3.62Å; Y232-A292 VanDerWaalsContact CZ-CB 3.46Å; A292-Y294 PolarHBondContact O-N 3.05Å; A292-R297 HydrophobicContact CB-CG 3.82Å; A292-R297 WeakPolarHBondContact O-CD 3.45Å
293P94.2Very high83.5Confident57 Ų5766.8 Ų66.837%0.3737%0.371SS..  trans-55.6132.9178-25.133.6000111.6T295 S296 R297P293-T295 PolarHBondContact O-N 2.85Å; P293-S296 WeakPolarHBondContact O-CB 3.28Å; P293-S296 PolarHBondContact O-N 3.25Å; P293-R297 WeakPolarHBondContact O-CG 3.44Å; P293-R297 PolarHBondContact O-N 2.97Å
294Y95.7Very high84.7Confident41 Ų4165.5 Ų65.516%0.16136%0.36CS..Hα-helixtrans-58.1-33.3-179.3-62.6-49.2000112.9Y253 I256 N260 N280 L281 A292 R297 R298Y253-Y294 AromaticContact CD1-CD1 3.92Å; Y253-Y294 HydrophobicContact CD1-CD1 3.92Å; Y253-Y294 HydrophobicContact CD1-CG 4.33Å; Y253-Y294 AromaticContact CE1-CD1 3.71Å; Y253-Y294 HydrophobicContact CE1-CD1 3.71Å; Y253-Y294 HydrophobicContact CE1-CE1 4.41Å; I256-Y294 HydrophobicContact CG2-CD1 4.34Å; I256-Y294 HydrophobicContact CG2-CD2 3.69Å; I256-Y294 HydrophobicContact CG2-CE1 4.39Å; I256-Y294 HydrophobicContact CG2-CE2 3.73Å; I256-Y294 HydrophobicContact CG2-CG 4.01Å; N260-Y294 WeakPolarHBondContact ND2-CE2 3.22Å; N280-Y294 PolarHBondContact OD1-N 3.48Å; L281-Y294 HydrophobicContact CD1-CE2 4.09Å; L281-Y294 HydrophobicContact CG-CE2 3.88Å; A292-Y294 PolarHBondContact O-N 3.05Å; Y294-R297 PolarHBondContact O-N 3.46Å; Y294-R298 WeakPolarHBondContact O-CB 3.37Å; Y294-R298 PolarHBondContact O-N 3.23Å
295T96.7Very high86.2Confident33 Ų3362.6 Ų62.620%0.20233%0.333CS..Hα-helixtrans-61-47.8172.852.70000112L257 N280 P293 R297 R298 D299L257-T295 HydrophobicContact CD1-CG2 3.97Å; L257-T295 HydrophobicContact CD2-CG2 3.94Å; N280-T295 WeakPolarHBondContact ND2-CG2 3.37Å; N280-T295 PolarHBondContact ND2-OG1 2.92Å; N280-T295 PolarHBondContact OD1-N 3.34Å; P293-T295 PolarHBondContact O-N 2.85Å; T295-R297 PolarHBondContact O-N 3.2Å; T295-R298 PolarHBondContact O-N 2.95Å; T295-D299 WeakPolarHBondContact O-CB 3.35Å; T295-D299 PolarHBondContact O-N 3.34Å
296S96.8Very high87.5Confident47 Ų4763.6 Ų63.633%0.32934%0.335SS..Hα-helixtrans-62.1-44178.6-177.30000111.5Y232 P293 D299 G300Y232-S296 WeakPolarHBondContact OH-CB 3.31Å; Y232-S296 PolarHBondContact OH-OG 3.17Å; P293-S296 WeakPolarHBondContact O-CB 3.28Å; P293-S296 PolarHBondContact O-N 3.25Å; S296-D299 PolarHBondContact O-N 3.19Å; S296-G300 PolarHBondContact O-N 3.38Å
297R97.5Very high88.9Confident7 Ų761.1 Ų61.13%0.02632%0.319CS..Hα-helixtrans-60.1-46.7177.2-65.2178.270.5156.610.9112.2D231 Y232 D235 Y253 A292 P293 Y294 T295 G300 I301D231-R297 VanDerWaalsContact CB-CZ 3.49Å; D231-R297 PolarHBondContact O-NH2 3.01Å; D231-R297 IonicContact OD1-CZ 2.84Å; D231-R297 IonicContact OD1-NH1 3.58Å; D231-R297 PolarHBondContact OD1-NH1 2.86Å; D231-R297 IonicContact OD1-NH2 3.71Å; D231-R297 IonicContact OD2-NH1 2.77Å; D231-R297 PolarHBondContact OD2-NH1 3.34Å; Y232-R297 HydrophobicContact CD1-CG 4.22Å; Y232-R297 HydrophobicContact CE1-CG 3.93Å; D235-R297 IonicContact OD1-CZ 3.61Å; D235-R297 IonicContact OD1-NE 2.88Å; D235-R297 IonicContact OD1-NH2 3.17Å; D235-R297 PolarHBondContact OD1-NH2 2.87Å; D235-R297 WeakPolarHBondContact OD2-CB 3.43Å; D235-R297 IonicContact OD2-CZ 3.73Å; D235-R297 IonicContact OD2-NE 3.47Å; D235-R297 PolarHBondContact OD2-NE 3.42Å; D235-R297 IonicContact OD2-NH2 2.9Å; D235-R297 PolarHBondContact OD2-NH2 2.9Å; Y253-R297 HydrophobicContact CD2-CB 4.42Å; Y253-R297 HydrophobicContact CE1-CB 4.19Å; Y253-R297 HydrophobicContact CE2-CB 3.97Å; Y253-R297 PolarHBondContact OH-NE 3.46Å; Y253-R297 PolarHBondContact OH-NH2 3.4Å; A292-R297 HydrophobicContact CB-CG 3.82Å; A292-R297 WeakPolarHBondContact O-CD 3.45Å; P293-R297 WeakPolarHBondContact O-CG 3.44Å; P293-R297 PolarHBondContact O-N 2.97Å; Y294-R297 PolarHBondContact O-N 3.46Å; T295-R297 PolarHBondContact O-N 3.2Å; R297-G300 PolarHBondContact O-N 2.95Å; R297-I301 PolarHBondContact O-N 2.88Å
298R97.8Very high89.8Confident61 Ų6159.1 Ų59.123%0.2331%0.306CS..Hα-helixtrans-58.4-49.2173.5-176.9-161.562.8-164.9-5.2111.6V250 Y253 N254 Y294 T295 G300 I301 V302V250-R298 HydrophobicContact CG1-CG 4.36Å; Y253-R298 HydrophobicContact CD2-CB 4.25Å; Y253-R298 HydrophobicContact CG-CB 4.15Å; N254-R298 WeakPolarHBondContact OD1-CD 3.4Å; N254-R298 PolarHBondContact OD1-NH1 2.88Å; Y294-R298 WeakPolarHBondContact O-CB 3.37Å; Y294-R298 PolarHBondContact O-N 3.23Å; T295-R298 PolarHBondContact O-N 2.95Å; R298-G300 VanDerWaalsContact C-N 3.27Å; R298-G300 PolarHBondContact O-N 3.09Å; R298-I301 WeakPolarHBondContact O-CB 3.38Å; R298-I301 PolarHBondContact O-N 3.46Å; R298-V302 WeakPolarHBondContact O-CG2 3.4Å; R298-V302 PolarHBondContact O-N 2.98Å
299D97.3Very high89.5Confident79 Ų7963.2 Ų63.242%0.42233%0.326SS..Hα-helixtrans-65.8-33.6-174.9-63.6-14.8000111.3T295 S296 I301 V302 G303T295-D299 WeakPolarHBondContact O-CB 3.35Å; T295-D299 PolarHBondContact O-N 3.34Å; S296-D299 PolarHBondContact O-N 3.19Å; D299-I301 VanDerWaalsContact C-N 3.35Å; D299-I301 PolarHBondContact O-N 3.34Å; D299-V302 PolarHBondContact O-N 3.39Å; D299-G303 PolarHBondContact O-N 3.16Å
300G96.4Very high88.5Confident42 Ų4265.5 Ų65.543%0.43336%0.358SS..Hα-helixtrans-58.7-41.6169.600000113.3S296 R297 R298 G303 L304S296-G300 PolarHBondContact O-N 3.38Å; R297-G300 PolarHBondContact O-N 2.95Å; R298-G300 VanDerWaalsContact C-N 3.27Å; R298-G300 PolarHBondContact O-N 3.09Å; G300-G303 PolarHBondContact O-N 3.41Å; G300-L304 PolarHBondContact O-N 3.04Å
301I97.3Very high88.9Confident3 Ų364.1 Ų64.12%0.01536%0.356CS..Hα-helixtrans-70.1-39.3176.4-60.6169.6000111.2F155 D235 A239 A246 V250 Y253 R297 R298 D299 G303 L304 L305F155-I301 HydrophobicContact CE1-CD1 4.27Å; F155-I301 HydrophobicContact CE2-CD1 3.77Å; F155-I301 HydrophobicContact CZ-CD1 3.43Å; F155-I301 VanDerWaalsContact CZ-CD1 3.43Å; D235-I301 HydrophobicContact CB-CD1 4.36Å; A239-I301 HydrophobicContact CB-CG1 4.12Å; A239-I301 HydrophobicContact CB-CG2 3.89Å; A246-I301 HydrophobicContact CB-CG2 4.18Å; A246-I301 VanDerWaalsContact O-CG2 3.26Å; A246-I301 WeakPolarHBondContact O-CG2 3.28Å; V250-I301 HydrophobicContact CG2-CB 4.34Å; V250-I301 HydrophobicContact CG2-CG2 3.84Å; Y253-I301 HydrophobicContact CD2-CD1 3.88Å; Y253-I301 HydrophobicContact CE2-CD1 3.7Å; R297-I301 PolarHBondContact O-N 2.88Å; R298-I301 WeakPolarHBondContact O-CB 3.38Å; R298-I301 PolarHBondContact O-N 3.46Å; D299-I301 VanDerWaalsContact C-N 3.35Å; D299-I301 PolarHBondContact O-N 3.34Å; I301-G303 PolarHBondContact O-N 2.95Å; I301-L304 PolarHBondContact O-N 3.42Å; I301-L305 PolarHBondContact O-N 3.36Å; I301-L305 VanDerWaalsContact O-N 3.12Å
302V96.6Very high89Confident42 Ų4262.7 Ų62.726%0.25535%0.353SS..Hα-helixtrans-60.2-36.7173.3173.70000111V250 R298 D299 L305 K306V250-V302 HydrophobicContact CG1-CG2 4.14Å; V250-V302 HydrophobicContact CG2-CG2 3.68Å; R298-V302 WeakPolarHBondContact O-CG2 3.4Å; R298-V302 PolarHBondContact O-N 2.98Å; D299-V302 PolarHBondContact O-N 3.39Å; V302-L305 PolarHBondContact O-N 3.32Å; V302-K306 HydrophobicContact CG1-CD 4.5Å; V302-K306 WeakPolarHBondContact O-CG 3.25Å; V302-K306 PolarHBondContact O-N 3.21Å
303G94.1Very high88.8Confident26 Ų2666.1 Ų66.127%0.26837%0.371SS..Hα-helixtrans-57.6-51.1172.400000112.4D299 G300 I301 L305 K306 E307D299-G303 PolarHBondContact O-N 3.16Å; G300-G303 PolarHBondContact O-N 3.41Å; I301-G303 PolarHBondContact O-N 2.95Å; G303-L305 VanDerWaalsContact C-N 3.29Å; G303-L305 PolarHBondContact O-N 2.92Å; G303-K306 WeakPolarHBondContact O-CB 3.38Å; G303-K306 PolarHBondContact O-N 2.94Å; G303-E307 PolarHBondContact O-N 2.88Å
304L91.4Very high88.5Confident34 Ų3466.6 Ų66.618%0.17837%0.371CS..Hα-helixtrans-56.6-42.3177.4-63.2170.9000112.2R236 A239 G300 I301 K306 E307 E308R236-L304 HydrophobicContact CG-CD1 4.14Å; A239-L304 HydrophobicContact CB-CD1 4.05Å; G300-L304 PolarHBondContact O-N 3.04Å; I301-L304 PolarHBondContact O-N 3.42Å; L304-K306 PolarHBondContact O-N 3.37Å; L304-E307 PolarHBondContact O-N 3.01Å; L304-E308 PolarHBondContact O-N 3.4Å
305L91.2Very high88.1Confident27 Ų2768.2 Ų68.214%0.14138%0.384CS..Hα-helixtrans-65.9-22.2177.4-78.2172.9000114.3K243 A246 V250 I301 V302 G303 K309K243-L305 HydrophobicContact CG-CD2 3.98Å; A246-L305 HydrophobicContact CB-CD1 4.26Å; A246-L305 HydrophobicContact CB-CD2 3.55Å; A246-L305 HydrophobicContact CB-CG 3.76Å; V250-L305 HydrophobicContact CG2-CD1 3.87Å; I301-L305 PolarHBondContact O-N 3.36Å; I301-L305 VanDerWaalsContact O-N 3.12Å; V302-L305 PolarHBondContact O-N 3.32Å; G303-L305 VanDerWaalsContact C-N 3.29Å; G303-L305 PolarHBondContact O-N 2.92Å; L305-K309 WeakPolarHBondContact O-CG 3.34Å
306K89.3Confident87.5Confident144 Ų14470.5 Ų70.563%0.62640%0.396SS*.Hα-helixtrans-86.1-40.1176.6-72.2176178.9-179.40111.2V302 G303 L304 E308 K309V302-K306 HydrophobicContact CG1-CD 4.5Å; V302-K306 WeakPolarHBondContact O-CG 3.25Å; V302-K306 PolarHBondContact O-N 3.21Å; G303-K306 WeakPolarHBondContact O-CB 3.38Å; G303-K306 PolarHBondContact O-N 2.94Å; L304-K306 PolarHBondContact O-N 3.37Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 3.43Å; K306-K309 PolarHBondContact O-N 3.05Å; K306-K309 VanDerWaalsContact O-N 3.11Å
307E81.8Confident86.8Confident132 Ų13272.2 Ų72.262%0.61740%0.401SS*.Hα-helixtrans-61.4-39.9176.7-70.9174-172.500111.7G303 L304 K309 A310G303-E307 PolarHBondContact O-N 2.88Å; L304-E307 PolarHBondContact O-N 3.01Å; E307-K309 PolarHBondContact O-N 3.03Å; E307-K309 VanDerWaalsContact O-N 3.15Å; E307-A310 PolarHBondContact O-N 3.25Å
308E71.2Confident86Confident107 Ų10777.2 Ų77.250%0.543%0.43SS..THydrogen-bonded Turntrans-66-12.3175-75.2-175.7172.800114.8L304 K306L304-E308 PolarHBondContact O-N 3.4Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 3.43Å
309K61.5Low85Confident162 Ų16278.6 Ų78.670%0.70445%0.447SS*.THydrogen-bonded Turntrans-97-14.3178.7-68.9-177-176.9-175.60113.3L305 K306 E307L305-K309 WeakPolarHBondContact O-CG 3.34Å; K306-K309 PolarHBondContact O-N 3.05Å; K306-K309 VanDerWaalsContact O-N 3.11Å; E307-K309 PolarHBondContact O-N 3.03Å; E307-K309 VanDerWaalsContact O-N 3.15Å
310A52.3Low83.9Confident145 Ų14578.5 Ų78.5100%1.19845%0.449SS*.  trans-89.90179.200000110.1E307E307-A310 PolarHBondContact O-N 3.25Å

Retrieved 310 of 310 residues in 957.8 ms (Link to these results)

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