A0A087XLY5_POEFO Loading...

Retinol dehydrogenase 14a

AlphaFold DB , UniProt , Accession A0A087XLY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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
1P50.9Low88.2Confident121 Ų12152.8 Ų52.879%0.78633%0.334SS*.  0150.90-26.434.1000110.4S3 M4P1-S3 PolarHBondContact O-N 3.09Å; P1-M4 HydrophobicContact CB-CG 4.36Å; P1-M4 WeakPolarHBondContact CD-SD 3.48Å; P1-M4 HydrophobicContact CG-CG 4.44Å; P1-M4 WeakPolarHBondContact O-CG 3.36Å
2A66.2Low89.1Confident69 Ų6948.4 Ų48.457%0.5731%0.306SS*.THydrogen-bonded Turntrans-65.9-7-174.100000115L30 Q31A2-L30 CarbonylContact O-C 3.57Å; A2-L30 VanDerWaalsContact O-C 3.29Å; A2-L30 WeakPolarHBondContact O-CA 3.49Å; A2-Q31 WeakPolarHBondContact O-CG 3.46Å
3S82.3Confident89.8Confident61 Ų6144.7 Ų44.743%0.42728%0.282SS..THydrogen-bonded Turntrans-120.819.1-173.457.60000114.5P1 M5 Q6 L30P1-S3 PolarHBondContact O-N 3.09Å; S3-M5 PolarHBondContact O-N 3.14Å; S3-Q6 WeakPolarHBondContact O-CB 3.43Å; S3-Q6 PolarHBondContact O-N 3.33Å; S3-L30 CarbonylContact C-O 3.56Å
4M89.4Confident90.3Very high70 Ų7042.8 Ų42.835%0.34528%0.275SS..THydrogen-bonded Turntrans-58.6-24.3-175-74.6-176.1-60.400114P1 L30P1-M4 HydrophobicContact CB-CG 4.36Å; P1-M4 WeakPolarHBondContact CD-SD 3.48Å; P1-M4 HydrophobicContact CG-CG 4.44Å; P1-M4 WeakPolarHBondContact O-CG 3.36Å; M4-L30 HydrophobicContact CE-CD1 4.18Å; M4-L30 HydrophobicContact CE-CD2 3.71Å; M4-L30 PolarHBondContact N-O 2.61Å
5M96.2Very high90.8Very high6 Ų639.9 Ų39.93%0.0326%0.257CS..THydrogen-bonded Turntrans-11010.6-179.4-62.5-60.5-73.900113.1S3 G7 K8 V10 I27 L30 G32 V91 S244S3-M5 PolarHBondContact O-N 3.14Å; M5-G7 PolarHBondContact O-N 3.4Å; M5-K8 HydrophobicContact CB-CB 4.42Å; M5-K8 HydrophobicContact CE-CB 3.82Å; M5-K8 HydrophobicContact CE-CG 4.35Å; M5-K8 VanDerWaalsContact O-CB 3.26Å; M5-K8 WeakPolarHBondContact O-CB 3.48Å; M5-K8 PolarHBondContact O-N 3.24Å; M5-K8 HydrophobicContact SD-CB 4.46Å; M5-K8 HydrophobicContact SD-CG 4.44Å; M5-V10 HydrophobicContact CE-CG2 3.44Å; M5-V10 VanDerWaalsContact CE-CG2 3.44Å; M5-I27 HydrophobicContact CE-CD1 4.33Å; M5-I27 HydrophobicContact CG-CD1 4.26Å; M5-I27 HydrophobicContact CG-CG2 4.49Å; M5-L30 WeakPolarHBondContact CA-O 3.33Å; M5-L30 HydrophobicContact CB-CB 4.09Å; M5-L30 WeakPolarHBondContact CB-O 3.32Å; M5-L30 HydrophobicContact CG-CB 3.93Å; M5-L30 HydrophobicContact CG-CD1 4.39Å; M5-L30 PolarHBondContact N-O 3.01Å; M5-G32 VanDerWaalsContact O-CA 3.27Å; M5-G32 WeakPolarHBondContact O-CA 3.37Å; M5-V91 HydrophobicContact CE-CG2 3.86Å; M5-S244 WeakPolarHBondContact SD-CB 3.31Å
6Q95.4Very high90.9Very high114 Ų11439.3 Ų39.353%0.53325%0.251SS..THydrogen-bonded Turntrans-55126.6177.8-178.964.449.900110.8S3 K8 Q31S3-Q6 WeakPolarHBondContact O-CB 3.43Å; S3-Q6 PolarHBondContact O-N 3.33Å; Q6-K8 PolarHBondContact O-N 3.03Å; Q6-Q31 WeakPolarHBondContact CA-O 3.4Å; Q6-Q31 HydrophobicContact CB-CB 4.16Å; Q6-Q31 VanDerWaalsContact OE1-CB 3.29Å
7G95.3Very high90.9Very high58 Ų5838.8 Ų38.860%0.59825%0.249SC*.THydrogen-bonded Turntrans75.14.8-177.900000115M5 H90M5-G7 PolarHBondContact O-N 3.4Å; G7-H90 PolarHBondContact O-CE1 2.81Å
8K97.9Very high91Very high67 Ų6737.7 Ų37.729%0.29125%0.246SC..  trans-96.5132.4177.3-55.4-64.3178.3179.10110.9M5 Q6 R33 H90M5-K8 HydrophobicContact CB-CB 4.42Å; M5-K8 HydrophobicContact CE-CB 3.82Å; M5-K8 HydrophobicContact CE-CG 4.35Å; M5-K8 VanDerWaalsContact O-CB 3.26Å; M5-K8 WeakPolarHBondContact O-CB 3.48Å; M5-K8 PolarHBondContact O-N 3.24Å; M5-K8 HydrophobicContact SD-CB 4.46Å; M5-K8 HydrophobicContact SD-CG 4.44Å; Q6-K8 PolarHBondContact O-N 3.03Å; K8-R33 PolarHBondContact O-N 2.88Å; K8-H90 HydrophobicContact CB-CB 4.11Å; K8-H90 HydrophobicContact CD-CB 3.85Å; K8-H90 WeakPolarHBondContact CD-CD2 3.42Å; K8-H90 VanDerWaalsContact CD-CG 3.47Å; K8-H90 PolarHBondContact NZ-CD2 2.83Å
9T98.6Very high91.2Very high15 Ų1536.7 Ų36.79%0.09224%0.238CC..EExtended strand (participates in β ladder)trans-97129.4172.1-600000109.7R33 I35 L88 L89 H90 V91T9-R33 CarbonylContact C-O 3.59Å; T9-R33 WeakPolarHBondContact CA-O 3.4Å; T9-R33 PolarHBondContact OG1-NH1 3.07Å; T9-I35 HydrophobicContact CG2-CD1 3.94Å; T9-I35 HydrophobicContact CG2-CG1 4.44Å; T9-L88 VanDerWaalsContact CB-O 3.31Å; T9-L88 WeakPolarHBondContact CB-O 3.45Å; T9-L88 PolarHBondContact OG1-O 3.09Å; T9-L89 HydrophobicContact CG2-CD1 4.43Å; T9-H90 PolarHBondContact N-ND1 2.92Å; T9-H90 PolarHBondContact O-N 2.83Å; T9-V91 PolarHBondContact O-N 2.81Å
10V98.9Very high91.5Very high0 Ų034.9 Ų34.90%023%0.226CC..EExtended strand (participates in β ladder)trans-126.6127.4-177.3-177.60000110.1M5 V12 I27 R33 V34 I35 V91 I93M5-V10 HydrophobicContact CE-CG2 3.44Å; M5-V10 VanDerWaalsContact CE-CG2 3.44Å; V10-V12 HydrophobicContact CG1-CG2 3.86Å; V10-I27 HydrophobicContact CB-CG2 4.22Å; V10-I27 HydrophobicContact CG2-CG2 3.78Å; V10-R33 PolarHBondContact N-O 3.07Å; V10-V34 CarbonylContact O-C 3.29Å; V10-V34 WeakPolarHBondContact O-CA 3.49Å; V10-I35 PolarHBondContact O-N 3.26Å; V10-V91 CarbonylContact C-O 3.47Å; V10-V91 VanDerWaalsContact CA-O 3.3Å; V10-V91 WeakPolarHBondContact CA-O 3.3Å; V10-V91 HydrophobicContact CB-CB 4.3Å; V10-V91 HydrophobicContact CG1-CB 3.92Å; V10-V91 HydrophobicContact CG1-CG1 4.17Å; V10-V91 HydrophobicContact CG2-CB 3.92Å; V10-V91 HydrophobicContact CG2-CG2 4.17Å; V10-I93 HydrophobicContact CG1-CD1 4.01Å; V10-I93 HydrophobicContact CG1-CG1 4.11Å
11I98.9Very high91.8Very high0 Ų035.6 Ų35.60%023%0.226CC..EExtended strand (participates in β ladder)trans-94.5132166.1-73.2164.4000108.8I35 A37 F78 I82 L89 V91 L92 I93 L128I11-I35 WeakPolarHBondContact CA-O 3.25Å; I11-I35 HydrophobicContact CG1-CB 3.88Å; I11-I35 HydrophobicContact CG1-CD1 4.13Å; I11-I35 HydrophobicContact CG1-CG2 4.27Å; I11-A37 HydrophobicContact CG2-CB 4.06Å; I11-F78 HydrophobicContact CD1-CE1 4.19Å; I11-F78 HydrophobicContact CD1-CZ 4.08Å; I11-F78 HydrophobicContact CG1-CZ 4.46Å; I11-F78 HydrophobicContact CG2-CE1 4.49Å; I11-F78 HydrophobicContact CG2-CZ 4.08Å; I11-I82 HydrophobicContact CD1-CD1 4.12Å; I11-I82 HydrophobicContact CD1-CG1 4.12Å; I11-I82 HydrophobicContact CD1-CG2 3.89Å; I11-L89 HydrophobicContact CB-CD1 4.18Å; I11-L89 HydrophobicContact CD1-CD1 3.7Å; I11-L89 HydrophobicContact CD1-CD2 3.85Å; I11-L89 HydrophobicContact CD1-CG 4.42Å; I11-L89 HydrophobicContact CG1-CD1 3.79Å; I11-V91 PolarHBondContact N-O 3.35Å; I11-L92 HydrophobicContact CB-CD1 3.95Å; I11-L92 HydrophobicContact CG2-CD1 3.73Å; I11-I93 PolarHBondContact O-N 3.02Å; I11-L128 HydrophobicContact CD1-CD1 4Å
12V98.9Very high94Very high0 Ų030.4 Ų30.40%019%0.193CC..EExtended strand (participates in β ladder)trans-124.1114.8172.6-172.60000109.2V10 A15 V34 I35 A37 I93 N95V10-V12 HydrophobicContact CG1-CG2 3.86Å; V12-A15 HydrophobicContact CB-CB 3.99Å; V12-A15 HydrophobicContact CG1-CB 3.95Å; V12-V34 HydrophobicContact CG2-CG1 4.06Å; V12-I35 PolarHBondContact N-O 3.05Å; V12-A37 PolarHBondContact O-N 3.25Å; V12-I93 HydrophobicContact CG1-CB 4.35Å; V12-I93 HydrophobicContact CG1-CG2 4.49Å; V12-I93 HydrophobicContact CG2-CB 4.28Å; V12-I93 HydrophobicContact CG2-CD1 4.02Å; V12-I93 HydrophobicContact CG2-CG1 4.33Å; V12-N95 HydrophobicContact CG1-CB 4.28Å
13T98.8Very high95.5Very high0 Ų027.1 Ų27.10%017%0.166CC..EExtended strand (participates in β ladder)trans-75.7138.7176680000110.7A15 A37 L67 I93 N95 A96 H121 L124T13-A15 PolarHBondContact O-N 3.49Å; T13-A37 CarbonylContact C-O 3.55Å; T13-A37 WeakPolarHBondContact CA-O 3.26Å; T13-A37 HydrophobicContact CG2-CB 4.46Å; T13-L67 HydrophobicContact CG2-CD2 3.8Å; T13-I93 PolarHBondContact N-O 2.87Å; T13-I93 PolarHBondContact OG1-O 3.09Å; T13-N95 WeakPolarHBondContact O-CB 3.34Å; T13-N95 PolarHBondContact O-ND2 3.35Å; T13-N95 PolarHBondContact OG1-N 2.93Å; T13-A96 PolarHBondContact O-N 2.95Å; T13-A96 WeakPolarHBondContact OG1-CB 3.39Å; T13-A96 PolarHBondContact OG1-N 3.29Å; T13-H121 PolarHBondContact OG1-NE2 3.27Å; T13-L124 HydrophobicContact CG2-CD2 3.49Å; T13-L124 VanDerWaalsContact CG2-CD2 3.49Å
14G97Very high96.3Very high18 Ų1824.2 Ų24.219%0.18615%0.146CC..THydrogen-bonded Turntrans66.235.8178.900000113.5N16 A37 N95G14-N16 VanDerWaalsContact C-N 3.28Å; G14-N16 PolarHBondContact O-N 3.42Å; G14-A37 PolarHBondContact N-O 3.11Å; G14-N95 PolarHBondContact O-ND2 3.33Å
15A96.6Very high96.7Very high0 Ų021.2 Ų21.20%013%0.132CC..THydrogen-bonded Turntrans-79.70.8-175.100000115.1V12 T13 S17 K21 A24 M36 C38V12-A15 HydrophobicContact CB-CB 3.99Å; V12-A15 HydrophobicContact CG1-CB 3.95Å; T13-A15 PolarHBondContact O-N 3.49Å; A15-S17 VanDerWaalsContact C-N 3.3Å; A15-S17 PolarHBondContact O-N 2.66Å; A15-K21 WeakPolarHBondContact O-CA 3.48Å; A15-K21 VanDerWaalsContact O-CB 3.25Å; A15-K21 WeakPolarHBondContact O-CB 3.43Å; A15-K21 PolarHBondContact O-N 3.36Å; A15-A24 HydrophobicContact CB-CB 4.34Å; A15-M36 HydrophobicContact CB-CB 3.85Å; A15-M36 HydrophobicContact CB-CE 3.94Å; A15-M36 HydrophobicContact CB-CG 3.81Å; A15-M36 WeakPolarHBondContact O-CE 3.33Å; A15-C38 PolarHBondContact N-SG 2.93Å; A15-C38 VanDerWaalsContact N-SG 3.37Å
16N93.4Very high96.8Very high30 Ų3022.3 Ų22.316%0.1614%0.142CC..THydrogen-bonded Turntrans-78.9-7.3-178.468.5-27.1000114.5G14 C38 A44 A47G14-N16 VanDerWaalsContact C-N 3.28Å; G14-N16 PolarHBondContact O-N 3.42Å; N16-C38 HydrophobicContact CB-CB 4.44Å; N16-C38 PolarHBondContact N-SG 3.41Å; N16-C38 VanDerWaalsContact N-SG 3.38Å; N16-A44 HydrophobicContact CB-CB 4.01Å; N16-A47 HydrophobicContact CB-CB 4.3Å; N16-A47 WeakPolarHBondContact O-CB 3.27Å
17S91.4Very high96.9Very high31 Ų3116.9 Ų16.922%0.21712%0.117CC..SBendtrans-158167.5178.266.10000113.3A15 G20 K21A15-S17 VanDerWaalsContact C-N 3.3Å; A15-S17 PolarHBondContact O-N 2.66Å; S17-G20 PolarHBondContact O-N 3.14Å; S17-K21 PolarHBondContact O-N 3.37Å
18G92.5Very high97.1Very high18 Ų1814.6 Ų14.619%0.1869%0.091CC..Hα-helixtrans53.8-137.4170.600000113.5G20 K21 A22G18-G20 VanDerWaalsContact C-N 3.27Å; G18-G20 PolarHBondContact O-N 3.26Å; G18-K21 PolarHBondContact O-N 3.29Å; G18-A22 PolarHBondContact O-N 3.11Å; G18-A22 VanDerWaalsContact O-N 3.11Å
19I93.8Very high97Very high19 Ų1916.6 Ų16.610%0.09710%0.1CC..Hα-helixtrans-57.6-39.4-177.7-63.1163.5000111.5A22 T23 P200 V203 T205 A236I19-A22 PolarHBondContact O-N 3.21Å; I19-T23 VanDerWaalsContact O-CB 3.3Å; I19-T23 WeakPolarHBondContact O-CB 3.16Å; I19-T23 PolarHBondContact O-N 2.75Å; I19-T23 PolarHBondContact O-OG1 2.87Å; I19-P200 HydrophobicContact CD1-CB 3.79Å; I19-P200 HydrophobicContact CD1-CG 3.79Å; I19-V203 HydrophobicContact CD1-CB 3.99Å; I19-V203 HydrophobicContact CD1-CG1 4.17Å; I19-V203 HydrophobicContact CD1-CG2 3.84Å; I19-V203 HydrophobicContact CG1-CB 4.26Å; I19-V203 HydrophobicContact CG1-CG1 3.87Å; I19-V203 HydrophobicContact CG1-CG2 4.31Å; I19-T205 HydrophobicContact CD1-CG2 4.21Å; I19-T205 HydrophobicContact CG1-CG2 3.93Å; I19-A236 HydrophobicContact CG2-CB 4.32Å
20G96.9Very high96.9Very high1 Ų117.2 Ų17.21%0.0110%0.102CC..Hα-helixtrans-63.4-45.7-179.300000112.5S17 G18 T23 A24 N95S17-G20 PolarHBondContact O-N 3.14Å; G18-G20 VanDerWaalsContact C-N 3.27Å; G18-G20 PolarHBondContact O-N 3.26Å; G20-T23 PolarHBondContact O-N 2.8Å; G20-A24 WeakPolarHBondContact O-CB 3.49Å; G20-A24 PolarHBondContact O-N 3.39Å; G20-N95 VanDerWaalsContact CA-ND2 3.33Å; G20-N95 WeakPolarHBondContact CA-ND2 3.15Å
21K97.9Very high96.7Very high50 Ų5020.8 Ų20.822%0.21712%0.119CC..Hα-helixtrans-63.3-45.8176.6-170.8-176.9179179.50111.5A15 S17 G18 T23 A24 A25 A47 D50 I51A15-K21 WeakPolarHBondContact O-CA 3.48Å; A15-K21 VanDerWaalsContact O-CB 3.25Å; A15-K21 WeakPolarHBondContact O-CB 3.43Å; A15-K21 PolarHBondContact O-N 3.36Å; S17-K21 PolarHBondContact O-N 3.37Å; G18-K21 PolarHBondContact O-N 3.29Å; K21-T23 VanDerWaalsContact C-N 3.32Å; K21-T23 PolarHBondContact O-N 3.23Å; K21-A24 PolarHBondContact O-N 3.34Å; K21-A25 WeakPolarHBondContact O-CB 3.4Å; K21-A25 PolarHBondContact O-N 2.92Å; K21-A47 HydrophobicContact CD-CB 4.02Å; K21-A47 HydrophobicContact CG-CB 4.41Å; K21-D50 IonicContact NZ-OD2 2.62Å; K21-D50 PolarHBondContact NZ-OD2 2.83Å; K21-I51 HydrophobicContact CG-CD1 3.99Å; K21-I51 HydrophobicContact CG-CG1 4.3Å
22A97.9Very high96.7Very high12 Ų1220.8 Ų20.810%0.09912%0.119CC..Hα-helixtrans-63.8-38177.900000112.1G18 I19 A26 P232 E233 A236G18-A22 PolarHBondContact O-N 3.11Å; G18-A22 VanDerWaalsContact O-N 3.11Å; I19-A22 PolarHBondContact O-N 3.21Å; A22-A26 VanDerWaalsContact O-CB 3.32Å; A22-A26 WeakPolarHBondContact O-CB 3.27Å; A22-A26 PolarHBondContact O-N 3.4Å; A22-P232 HydrophobicContact CB-CB 4.04Å; A22-P232 WeakPolarHBondContact CB-O 3.48Å; A22-E233 HydrophobicContact CB-CG 4.46Å; A22-A236 HydrophobicContact CB-CB 3.82Å
23T98.4Very high96.6Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-62.9-48.6173.8-57.50000110.5I19 G20 K21 A25 A26 I27 I93 A236 V240I19-T23 VanDerWaalsContact O-CB 3.3Å; I19-T23 WeakPolarHBondContact O-CB 3.16Å; I19-T23 PolarHBondContact O-N 2.75Å; I19-T23 PolarHBondContact O-OG1 2.87Å; G20-T23 PolarHBondContact O-N 2.8Å; K21-T23 VanDerWaalsContact C-N 3.32Å; K21-T23 PolarHBondContact O-N 3.23Å; T23-A25 PolarHBondContact O-N 3.36Å; T23-A26 PolarHBondContact O-N 2.87Å; T23-I27 HydrophobicContact CG2-CG1 4.47Å; T23-I27 WeakPolarHBondContact O-CG1 3.43Å; T23-I27 PolarHBondContact O-N 3.48Å; T23-I93 HydrophobicContact CG2-CD1 3.63Å; T23-A236 WeakPolarHBondContact OG1-CB 3.19Å; T23-V240 HydrophobicContact CG2-CG2 4.2Å
24A98.5Very high96.6Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-57.5-50.1176.900000111.7A15 G20 K21 A26 I27 V28 V34 M36 I51A15-A24 HydrophobicContact CB-CB 4.34Å; G20-A24 WeakPolarHBondContact O-CB 3.49Å; G20-A24 PolarHBondContact O-N 3.39Å; K21-A24 PolarHBondContact O-N 3.34Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 2.94Å; A24-I27 PolarHBondContact O-N 3.45Å; A24-V28 VanDerWaalsContact O-CG2 3.28Å; A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 2.87Å; A24-V34 HydrophobicContact CB-CG1 3.81Å; A24-M36 HydrophobicContact CB-CG 4.47Å; A24-I51 HydrophobicContact CB-CD1 3.87Å
25A98.1Very high96.7Very high7 Ų722.6 Ų22.66%0.05812%0.12CC..Hα-helixtrans-58.1-43.517800000112.4K21 T23 V28 K29 I51K21-A25 WeakPolarHBondContact O-CB 3.4Å; K21-A25 PolarHBondContact O-N 2.92Å; T23-A25 PolarHBondContact O-N 3.36Å; A25-V28 PolarHBondContact O-N 2.98Å; A25-K29 WeakPolarHBondContact O-CG 3.41Å; A25-K29 PolarHBondContact O-N 2.64Å; A25-I51 HydrophobicContact CB-CD1 4.44Å; A25-I51 HydrophobicContact CB-CG1 4.08Å; A25-I51 HydrophobicContact CB-CG2 4.26Å
26A97.6Very high96.8Very high29 Ų2922.6 Ų22.624%0.2412%0.12CC..Hα-helixtrans-66.7-39.9178.900000112.7A22 T23 A24 V28 K29 L30 V240A22-A26 VanDerWaalsContact O-CB 3.32Å; A22-A26 WeakPolarHBondContact O-CB 3.27Å; A22-A26 PolarHBondContact O-N 3.4Å; T23-A26 PolarHBondContact O-N 2.87Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 2.94Å; A26-V28 VanDerWaalsContact C-N 3.33Å; A26-V28 PolarHBondContact O-N 3.15Å; A26-K29 PolarHBondContact O-N 2.86Å; A26-L30 WeakPolarHBondContact O-CG 3.28Å; A26-L30 PolarHBondContact O-N 3.11Å; A26-L30 VanDerWaalsContact O-N 3.11Å; A26-V240 HydrophobicContact CB-CG1 4.28Å; A26-V240 HydrophobicContact CB-CG2 3.5Å
27I98.3Very high97.1Very high0 Ų021.2 Ų21.20%011%0.113CC..Hα-helixtrans-63.3-40.6174.9-66.7-63.9000111.1M5 V10 T23 A24 L30 Q31 G32 V34 V240 A243M5-I27 HydrophobicContact CE-CD1 4.33Å; M5-I27 HydrophobicContact CG-CD1 4.26Å; M5-I27 HydrophobicContact CG-CG2 4.49Å; V10-I27 HydrophobicContact CB-CG2 4.22Å; V10-I27 HydrophobicContact CG2-CG2 3.78Å; T23-I27 HydrophobicContact CG2-CG1 4.47Å; T23-I27 WeakPolarHBondContact O-CG1 3.43Å; T23-I27 PolarHBondContact O-N 3.48Å; A24-I27 PolarHBondContact O-N 3.45Å; I27-L30 CarbonylContact O-C 3.59Å; I27-L30 WeakPolarHBondContact O-CA 3.19Å; I27-L30 WeakPolarHBondContact O-CB 3.45Å; I27-L30 PolarHBondContact O-N 3.24Å; I27-L30 VanDerWaalsContact O-N 3.08Å; I27-Q31 PolarHBondContact O-N 3.36Å; I27-G32 WeakPolarHBondContact O-CA 3.45Å; I27-G32 PolarHBondContact O-N 3.01Å; I27-V34 HydrophobicContact CB-CG2 3.78Å; I27-V34 HydrophobicContact CG2-CG2 3.48Å; I27-V34 VanDerWaalsContact CG2-CG2 3.48Å; I27-V240 HydrophobicContact CD1-CG1 4.35Å; I27-A243 HydrophobicContact CD1-CB 3.84Å
28V97.8Very high97.4Very high9 Ų919.9 Ų19.96%0.05510%0.103CC..Hα-helixtrans-63.5-41.9175.9175.50000111.2A24 A25 A26 L30 Q31 V34 I51 T55 A57 V62A24-V28 VanDerWaalsContact O-CG2 3.28Å; A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 2.87Å; A25-V28 PolarHBondContact O-N 2.98Å; A26-V28 VanDerWaalsContact C-N 3.33Å; A26-V28 PolarHBondContact O-N 3.15Å; V28-L30 PolarHBondContact O-N 2.87Å; V28-Q31 WeakPolarHBondContact O-CA 3.38Å; V28-Q31 PolarHBondContact O-N 3.12Å; V28-V34 HydrophobicContact CG2-CB 4.26Å; V28-V34 HydrophobicContact CG2-CG2 3.77Å; V28-I51 HydrophobicContact CB-CG2 4.42Å; V28-I51 HydrophobicContact CG2-CG2 4.2Å; V28-T55 HydrophobicContact CB-CG2 4.4Å; V28-T55 HydrophobicContact CG1-CG2 4Å; V28-T55 WeakPolarHBondContact CG1-OG1 3.45Å; V28-A57 HydrophobicContact CG1-CB 3.5Å; V28-A57 VanDerWaalsContact CG1-CB 3.5Å; V28-V62 HydrophobicContact CG1-CG2 4.24Å; V28-V62 HydrophobicContact CG2-CG2 3.6Å
29K96.4Very high97.5Very high110 Ų11026 Ų2648%0.47812%0.121SC..Hα-helixtrans-61.6-24.1173.3-71.6174.8-176.1177.50113.3A25 A26 E54 T55A25-K29 WeakPolarHBondContact O-CG 3.41Å; A25-K29 PolarHBondContact O-N 2.64Å; A26-K29 PolarHBondContact O-N 2.86Å; K29-E54 WeakPolarHBondContact CE-OE1 3.49Å; K29-E54 IonicContact NZ-OE1 3.59Å; K29-E54 PolarHBondContact NZ-OE1 3.43Å; K29-T55 HydrophobicContact CG-CG2 3.77Å
30L96.4Very high97.6Very high27 Ų2728 Ų2814%0.14113%0.132CC..THydrogen-bonded Turntrans-8813.3172-63.9175000113.2A2 S3 M4 M5 A26 I27 V28 G32 V240A2-L30 CarbonylContact O-C 3.57Å; A2-L30 VanDerWaalsContact O-C 3.29Å; A2-L30 WeakPolarHBondContact O-CA 3.49Å; S3-L30 CarbonylContact C-O 3.56Å; M4-L30 HydrophobicContact CE-CD1 4.18Å; M4-L30 HydrophobicContact CE-CD2 3.71Å; M4-L30 PolarHBondContact N-O 2.61Å; M5-L30 WeakPolarHBondContact CA-O 3.33Å; M5-L30 HydrophobicContact CB-CB 4.09Å; M5-L30 WeakPolarHBondContact CB-O 3.32Å; M5-L30 HydrophobicContact CG-CB 3.93Å; M5-L30 HydrophobicContact CG-CD1 4.39Å; M5-L30 PolarHBondContact N-O 3.01Å; A26-L30 WeakPolarHBondContact O-CG 3.28Å; A26-L30 PolarHBondContact O-N 3.11Å; A26-L30 VanDerWaalsContact O-N 3.11Å; I27-L30 CarbonylContact O-C 3.59Å; I27-L30 WeakPolarHBondContact O-CA 3.19Å; I27-L30 WeakPolarHBondContact O-CB 3.45Å; I27-L30 PolarHBondContact O-N 3.24Å; I27-L30 VanDerWaalsContact O-N 3.08Å; V28-L30 PolarHBondContact O-N 2.87Å; L30-G32 VanDerWaalsContact C-N 3.28Å; L30-G32 PolarHBondContact O-N 3.42Å; L30-V240 HydrophobicContact CD1-CG1 3.7Å
31Q96.1Very high97.5Very high76 Ų7633 Ų3336%0.35516%0.155SC..THydrogen-bonded Turntrans67.519.6-178.3-57.2175.9-6.700115.1A2 Q6 I27 V28A2-Q31 WeakPolarHBondContact O-CG 3.46Å; Q6-Q31 WeakPolarHBondContact CA-O 3.4Å; Q6-Q31 HydrophobicContact CB-CB 4.16Å; Q6-Q31 VanDerWaalsContact OE1-CB 3.29Å; I27-Q31 PolarHBondContact O-N 3.36Å; V28-Q31 WeakPolarHBondContact O-CA 3.38Å; V28-Q31 PolarHBondContact O-N 3.12Å
32G97.3Very high97.5Very high0 Ų035.3 Ų35.30%017%0.174CC..  trans-78.6152.9172.700000113.1M5 I27 L30M5-G32 VanDerWaalsContact O-CA 3.27Å; M5-G32 WeakPolarHBondContact O-CA 3.37Å; I27-G32 WeakPolarHBondContact O-CA 3.45Å; I27-G32 PolarHBondContact O-N 3.01Å; L30-G32 VanDerWaalsContact C-N 3.28Å; L30-G32 PolarHBondContact O-N 3.42Å
33R98.1Very high97.4Very high55 Ų5539.8 Ų39.821%0.20819%0.188CC..EExtended strand (participates in β ladder)trans-93.9130.3168.8175.1168170.6-92.83.2109.7K8 T9 V10 R60 Q61 M63 E86K8-R33 PolarHBondContact O-N 2.88Å; T9-R33 CarbonylContact C-O 3.59Å; T9-R33 WeakPolarHBondContact CA-O 3.4Å; T9-R33 PolarHBondContact OG1-NH1 3.07Å; V10-R33 PolarHBondContact N-O 3.07Å; R33-R60 WeakPolarHBondContact CD-O 3.42Å; R33-R60 WeakPolarHBondContact CG-O 3.38Å; R33-R60 PolarHBondContact NE-O 3.21Å; R33-Q61 CarbonylContact C-O 3.53Å; R33-Q61 WeakPolarHBondContact CA-O 3.26Å; R33-M63 PolarHBondContact NH2-SD 2.97Å; R33-E86 IonicContact CZ-OE1 3.1Å; R33-E86 IonicContact CZ-OE2 3.85Å; R33-E86 IonicContact NH1-OE1 3.85Å; R33-E86 PolarHBondContact NH1-OE1 3.47Å; R33-E86 IonicContact NH1-OE2 2.68Å; R33-E86 PolarHBondContact NH1-OE2 3.12Å; R33-E86 IonicContact NH2-OE1 3.38Å; R33-E86 PolarHBondContact NH2-OE1 2.99Å; R33-E86 IonicContact NH2-OE2 3.54Å; R33-E86 PolarHBondContact NH2-OE2 2.73Å
34V98.7Very high97.3Very high0 Ų039.8 Ų39.80%019%0.188CC..EExtended strand (participates in β ladder)trans-118.5130.7-175.7-178.90000111.6V10 V12 A24 I27 V28 M36 Q61 M63V10-V34 CarbonylContact O-C 3.29Å; V10-V34 WeakPolarHBondContact O-CA 3.49Å; V12-V34 HydrophobicContact CG2-CG1 4.06Å; A24-V34 HydrophobicContact CB-CG1 3.81Å; I27-V34 HydrophobicContact CB-CG2 3.78Å; I27-V34 HydrophobicContact CG2-CG2 3.48Å; I27-V34 VanDerWaalsContact CG2-CG2 3.48Å; V28-V34 HydrophobicContact CG2-CB 4.26Å; V28-V34 HydrophobicContact CG2-CG2 3.77Å; V34-M36 HydrophobicContact CG1-CG 4.09Å; V34-Q61 PolarHBondContact N-O 3.15Å; V34-M63 PolarHBondContact O-N 3.42Å
35I98.8Very high97.3Very high1 Ų143.2 Ų43.21%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-103.8108.8166.5-56.9172.6000107.4T9 V10 I11 V12 A37 M63 K65 I82 E86T9-I35 HydrophobicContact CG2-CD1 3.94Å; T9-I35 HydrophobicContact CG2-CG1 4.44Å; V10-I35 PolarHBondContact O-N 3.26Å; I11-I35 WeakPolarHBondContact CA-O 3.25Å; I11-I35 HydrophobicContact CG1-CB 3.88Å; I11-I35 HydrophobicContact CG1-CD1 4.13Å; I11-I35 HydrophobicContact CG1-CG2 4.27Å; V12-I35 PolarHBondContact N-O 3.05Å; I35-A37 PolarHBondContact O-N 3.21Å; I35-M63 CarbonylContact C-O 3.25Å; I35-M63 WeakPolarHBondContact CA-O 3.31Å; I35-K65 HydrophobicContact CG2-CB 4.01Å; I35-K65 HydrophobicContact CG2-CG 3.86Å; I35-I82 HydrophobicContact CD1-CD1 3.85Å; I35-I82 HydrophobicContact CG2-CD1 4.14Å; I35-E86 HydrophobicContact CD1-CG 3.81Å; I35-E86 WeakPolarHBondContact CD1-OE1 3.31Å
36M98.8Very high97.3Very high0 Ų048.1 Ų48.10%023%0.226CC..EExtended strand (participates in β ladder)trans-80.599.7176.5-62.3176.172.600108.9A15 A24 V34 C38 A47 A48 I51 V62 M63 V64 K65A15-M36 HydrophobicContact CB-CB 3.85Å; A15-M36 HydrophobicContact CB-CE 3.94Å; A15-M36 HydrophobicContact CB-CG 3.81Å; A15-M36 WeakPolarHBondContact O-CE 3.33Å; A24-M36 HydrophobicContact CB-CG 4.47Å; V34-M36 HydrophobicContact CG1-CG 4.09Å; M36-C38 PolarHBondContact O-N 3.47Å; M36-A47 HydrophobicContact CE-CB 3.92Å; M36-A48 HydrophobicContact SD-CB 3.71Å; M36-I51 HydrophobicContact CE-CD1 3.93Å; M36-I51 HydrophobicContact SD-CD1 3.98Å; M36-V62 HydrophobicContact CG-CG1 4.35Å; M36-V62 HydrophobicContact SD-CG1 3.57Å; M36-V62 VanDerWaalsContact SD-CG1 3.57Å; M36-M63 WeakPolarHBondContact CB-O 3.19Å; M36-M63 PolarHBondContact N-O 3.11Å; M36-V64 HydrophobicContact CB-CG2 4.34Å; M36-V64 HydrophobicContact SD-CG2 4.49Å; M36-K65 PolarHBondContact O-N 3.36Å
37A98.6Very high97.3Very high1 Ų146.9 Ų46.91%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-89.7104.4-179.400000109.9I11 V12 T13 G14 I35 K65 L67 F78I11-A37 HydrophobicContact CG2-CB 4.06Å; V12-A37 PolarHBondContact O-N 3.25Å; T13-A37 CarbonylContact C-O 3.55Å; T13-A37 WeakPolarHBondContact CA-O 3.26Å; T13-A37 HydrophobicContact CG2-CB 4.46Å; G14-A37 PolarHBondContact N-O 3.11Å; I35-A37 PolarHBondContact O-N 3.21Å; A37-K65 WeakPolarHBondContact CA-O 3.47Å; A37-L67 HydrophobicContact CB-CB 3.96Å; A37-L67 HydrophobicContact CB-CD2 3.66Å; A37-L67 HydrophobicContact CB-CG 4.47Å; A37-F78 HydrophobicContact CB-CD2 4.49Å; A37-F78 HydrophobicContact CB-CE2 3.54Å; A37-F78 HydrophobicContact CB-CZ 3.57Å
38C97.9Very high97.3Very high2 Ų246.9 Ų46.91%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-136.7144.6-167.8-65.40000112.1A15 N16 M36 A44 K65 Q66 L67A15-C38 PolarHBondContact N-SG 2.93Å; A15-C38 VanDerWaalsContact N-SG 3.37Å; N16-C38 HydrophobicContact CB-CB 4.44Å; N16-C38 PolarHBondContact N-SG 3.41Å; N16-C38 VanDerWaalsContact N-SG 3.38Å; M36-C38 PolarHBondContact O-N 3.47Å; C38-A44 HydrophobicContact CB-CB 3.51Å; C38-K65 PolarHBondContact N-O 3.26Å; C38-Q66 CarbonylContact O-C 3.45Å; C38-Q66 VanDerWaalsContact O-CA 3.31Å; C38-Q66 WeakPolarHBondContact O-CA 3.4Å; C38-L67 CarbonylContact C-O 3.5Å; C38-L67 VanDerWaalsContact C-O 3.26Å; C38-L67 PolarHBondContact O-N 3.27Å
39R96.1Very high97.3Very high147 Ų14751.4 Ų51.456%0.55524%0.236SC*.SBendtrans-66.1-47.2176.9-178.2-179.471.9177.28.2112.9L67 D68R39-L67 VanDerWaalsContact CA-O 3.23Å; R39-L67 WeakPolarHBondContact CA-O 3.28Å; R39-L67 PolarHBondContact N-O 2.56Å; R39-D68 HydrophobicContact CB-CB 4.45Å; R39-D68 WeakPolarHBondContact CD-OD1 3.39Å; R39-D68 WeakPolarHBondContact CD-OD2 3.48Å; R39-D68 HydrophobicContact CG-CB 3.92Å; R39-D68 WeakPolarHBondContact CG-OD2 3.23Å
40D96Very high97.4Very high61 Ų6149.7 Ų49.733%0.32623%0.232SC..  trans-95.3103.8-178.4-174.6-36.8000109T42 R43 A44D40-T42 PolarHBondContact OD1-N 2.92Å; D40-R43 HydrophobicContact CB-CB 4.25Å; D40-R43 HydrophobicContact CB-CG 4.49Å; D40-R43 PolarHBondContact OD1-N 2.68Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 WeakPolarHBondContact OD2-CG 3.4Å; D40-A44 VanDerWaalsContact O-CB 3.24Å; D40-A44 WeakPolarHBondContact O-CB 3.39Å; D40-A44 PolarHBondContact O-N 2.86Å
41Q94.5Very high97.5Very high106 Ų10648.4 Ų48.450%0.49523%0.225SC..Hα-helixtrans-68.1-38.9-174.7-167.4172.619.100112.1A44 E45 V64Q41-A44 PolarHBondContact O-N 3.26Å; Q41-E45 PolarHBondContact O-N 2.8Å; Q41-V64 HydrophobicContact CG-CG1 4.1Å
42T96.8Very high97.5Very high99 Ų9947 Ų4761%0.60722%0.216SC*.Hα-helixtrans-61.1-52.2179.1-54.40000110.7D40 A44 E45 E46D40-T42 PolarHBondContact OD1-N 2.92Å; T42-A44 PolarHBondContact O-N 3.17Å; T42-E45 PolarHBondContact O-N 3.02Å; T42-E46 WeakPolarHBondContact O-CG 3.46Å; T42-E46 PolarHBondContact O-N 3.48Å
43R96.6Very high97.5Very high105 Ų10553.4 Ų53.440%0.39625%0.247SC..Hα-helixtrans-65.3-29.7177.9-68.3-179.663.7-178.41.8112.8D40 A47D40-R43 HydrophobicContact CB-CB 4.25Å; D40-R43 HydrophobicContact CB-CG 4.49Å; D40-R43 PolarHBondContact OD1-N 2.68Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 WeakPolarHBondContact OD2-CG 3.4Å; R43-A47 WeakPolarHBondContact O-CB 3.48Å; R43-A47 PolarHBondContact O-N 2.68Å; R43-A47 VanDerWaalsContact O-N 3.15Å
44A97.1Very high97.4Very high0 Ų056.4 Ų56.40%026%0.263CS..Hα-helixtrans-71.7-38.2175.900000111.9N16 C38 D40 Q41 T42 A47 A48 V64N16-A44 HydrophobicContact CB-CB 4.01Å; C38-A44 HydrophobicContact CB-CB 3.51Å; D40-A44 VanDerWaalsContact O-CB 3.24Å; D40-A44 WeakPolarHBondContact O-CB 3.39Å; D40-A44 PolarHBondContact O-N 2.86Å; Q41-A44 PolarHBondContact O-N 3.26Å; T42-A44 PolarHBondContact O-N 3.17Å; A44-A47 PolarHBondContact O-N 3.41Å; A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 2.97Å; A44-V64 HydrophobicContact CB-CG1 3.52Å; A44-V64 HydrophobicContact CB-CG2 4.2Å
45E97.9Very high97.1Very high73 Ų7358.3 Ų58.334%0.34128%0.275SS..Hα-helixtrans-68.9-39.8176.4-163.759.9-141.300111.8Q41 T42 A47 A48 Q49 R52 V64Q41-E45 PolarHBondContact O-N 2.8Å; T42-E45 PolarHBondContact O-N 3.02Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 2.91Å; E45-A48 PolarHBondContact O-N 3.25Å; E45-Q49 WeakPolarHBondContact O-CB 3.44Å; E45-Q49 PolarHBondContact O-N 2.86Å; E45-R52 IonicContact OE1-CZ 2.7Å; E45-R52 IonicContact OE1-NH1 3.39Å; E45-R52 PolarHBondContact OE1-NH1 3.5Å; E45-R52 IonicContact OE1-NH2 2.71Å; E45-R52 PolarHBondContact OE1-NH2 2.98Å; E45-R52 VanDerWaalsContact OE1-NH2 3.1Å; E45-V64 WeakPolarHBondContact OE2-CG2 3.48Å
46E97.9Very high96.9Very high110 Ų11061.7 Ų61.751%0.51431%0.31SS..Hα-helixtrans-56.4-49.1170.1-70.3171.317900111T42 A48 Q49 D50T42-E46 WeakPolarHBondContact O-CG 3.46Å; T42-E46 PolarHBondContact O-N 3.48Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 2.81Å; E46-Q49 PolarHBondContact O-N 3.22Å; E46-D50 PolarHBondContact O-N 2.91Å
47A98Very high96.7Very high3 Ų362.2 Ų62.23%0.02531%0.314CS..Hα-helixtrans-64.8-35.817800000112.9N16 K21 M36 R43 A44 E45 D50 I51N16-A47 HydrophobicContact CB-CB 4.3Å; N16-A47 WeakPolarHBondContact O-CB 3.27Å; K21-A47 HydrophobicContact CD-CB 4.02Å; K21-A47 HydrophobicContact CG-CB 4.41Å; M36-A47 HydrophobicContact CE-CB 3.92Å; R43-A47 WeakPolarHBondContact O-CB 3.48Å; R43-A47 PolarHBondContact O-N 2.68Å; R43-A47 VanDerWaalsContact O-N 3.15Å; A44-A47 PolarHBondContact O-N 3.41Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 2.91Å; A47-D50 PolarHBondContact O-N 3.21Å; A47-I51 VanDerWaalsContact O-CG1 3.32Å; A47-I51 WeakPolarHBondContact O-CG1 3.39Å; A47-I51 PolarHBondContact O-N 3.1Å; A47-I51 VanDerWaalsContact O-N 3.14Å
48A98.3Very high96.4Very high0 Ų065 Ų650%033%0.328CS..Hα-helixtrans-67.2-41.6175.800000111.3M36 A44 E45 E46 D50 I51 R52 V62 V64M36-A48 HydrophobicContact SD-CB 3.71Å; A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 2.97Å; E45-A48 PolarHBondContact O-N 3.25Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 2.81Å; A48-D50 VanDerWaalsContact C-N 3.35Å; A48-D50 PolarHBondContact O-N 2.89Å; A48-I51 PolarHBondContact O-N 2.96Å; A48-R52 VanDerWaalsContact O-CG 3.25Å; A48-R52 WeakPolarHBondContact O-CG 3.38Å; A48-R52 PolarHBondContact O-N 2.91Å; A48-V62 HydrophobicContact CB-CG1 3.87Å; A48-V64 HydrophobicContact CB-CG2 3.65Å
49Q97.9Very high96.1Very high103 Ų10368.5 Ų68.548%0.48135%0.353SS..Hα-helixtrans-59.9-45174.8-178174.7-3.700111.3E45 E46 I51 R52 Q53E45-Q49 WeakPolarHBondContact O-CB 3.44Å; E45-Q49 PolarHBondContact O-N 2.86Å; E46-Q49 PolarHBondContact O-N 3.22Å; Q49-I51 VanDerWaalsContact C-N 3.33Å; Q49-I51 PolarHBondContact O-N 2.86Å; Q49-R52 PolarHBondContact O-N 3.26Å; Q49-Q53 WeakPolarHBondContact O-CB 3.32Å; Q49-Q53 WeakPolarHBondContact O-CG 3.35Å; Q49-Q53 PolarHBondContact O-N 2.89Å
50D97.6Very high95.8Very high74 Ų7469.9 Ų69.940%0.39636%0.359SS..Hα-helixtrans-57.8-45.9175.2-67.7-17.9000111.7K21 E46 A47 A48 Q53 E54K21-D50 IonicContact NZ-OD2 2.62Å; K21-D50 PolarHBondContact NZ-OD2 2.83Å; E46-D50 PolarHBondContact O-N 2.91Å; A47-D50 PolarHBondContact O-N 3.21Å; A48-D50 VanDerWaalsContact C-N 3.35Å; A48-D50 PolarHBondContact O-N 2.89Å; D50-Q53 PolarHBondContact O-N 2.89Å; D50-E54 WeakPolarHBondContact O-CB 3.43Å; D50-E54 PolarHBondContact O-N 2.93Å
51I97.9Very high95.8Very high0 Ų070.1 Ų70.10%036%0.358CS..Hα-helixtrans-62.9-45.4179-66.7168.5000110.5K21 A24 A25 V28 M36 A47 A48 Q49 Q53 E54 T55 V62K21-I51 HydrophobicContact CG-CD1 3.99Å; K21-I51 HydrophobicContact CG-CG1 4.3Å; A24-I51 HydrophobicContact CB-CD1 3.87Å; A25-I51 HydrophobicContact CB-CD1 4.44Å; A25-I51 HydrophobicContact CB-CG1 4.08Å; A25-I51 HydrophobicContact CB-CG2 4.26Å; V28-I51 HydrophobicContact CB-CG2 4.42Å; V28-I51 HydrophobicContact CG2-CG2 4.2Å; M36-I51 HydrophobicContact CE-CD1 3.93Å; M36-I51 HydrophobicContact SD-CD1 3.98Å; A47-I51 VanDerWaalsContact O-CG1 3.32Å; A47-I51 WeakPolarHBondContact O-CG1 3.39Å; A47-I51 PolarHBondContact O-N 3.1Å; A47-I51 VanDerWaalsContact O-N 3.14Å; A48-I51 PolarHBondContact O-N 2.96Å; Q49-I51 VanDerWaalsContact C-N 3.33Å; Q49-I51 PolarHBondContact O-N 2.86Å; I51-Q53 VanDerWaalsContact C-N 3.33Å; I51-Q53 PolarHBondContact O-N 2.97Å; I51-E54 PolarHBondContact O-N 3.43Å; I51-T55 HydrophobicContact CG2-CG2 4.2Å; I51-T55 WeakPolarHBondContact O-CB 3.23Å; I51-T55 WeakPolarHBondContact O-CG2 3.17Å; I51-T55 PolarHBondContact O-N 3.4Å; I51-T55 PolarHBondContact O-OG1 2.81Å; I51-V62 HydrophobicContact CG2-CG1 4.5Å; I51-V62 HydrophobicContact CG2-CG2 3.99Å
52R97.8Very high95.9Very high46 Ų4665.1 Ų65.117%0.17433%0.334CS..Hα-helixtrans-60.7-42.7178.5-70.1172.4-160.6143.7-1.1111.2E45 A48 Q49 G56 A57 V62E45-R52 IonicContact OE1-CZ 2.7Å; E45-R52 IonicContact OE1-NH1 3.39Å; E45-R52 PolarHBondContact OE1-NH1 3.5Å; E45-R52 IonicContact OE1-NH2 2.71Å; E45-R52 PolarHBondContact OE1-NH2 2.98Å; E45-R52 VanDerWaalsContact OE1-NH2 3.1Å; A48-R52 VanDerWaalsContact O-CG 3.25Å; A48-R52 WeakPolarHBondContact O-CG 3.38Å; A48-R52 PolarHBondContact O-N 2.91Å; Q49-R52 PolarHBondContact O-N 3.26Å; R52-G56 WeakPolarHBondContact O-CA 3.04Å; R52-G56 PolarHBondContact O-N 3.48Å; R52-A57 VanDerWaalsContact CB-O 3.31Å; R52-A57 WeakPolarHBondContact CB-O 3.48Å; R52-A57 WeakPolarHBondContact CG-O 3.39Å; R52-A57 PolarHBondContact O-N 2.85Å; R52-V62 HydrophobicContact CG-CB 3.96Å; R52-V62 HydrophobicContact CG-CG2 4.09Å; R52-V62 PolarHBondContact NE-O 3.49Å; R52-V62 VanDerWaalsContact NE-O 3.16Å; R52-V62 PolarHBondContact NH2-O 3.04Å
53Q96.6Very high96Very high136 Ų13662.8 Ų62.864%0.63632%0.317SS*.Hα-helixtrans-64.3-42.7175.7-73.1178.6-000112.4Q49 D50 I51Q49-Q53 WeakPolarHBondContact O-CB 3.32Å; Q49-Q53 WeakPolarHBondContact O-CG 3.35Å; Q49-Q53 PolarHBondContact O-N 2.89Å; D50-Q53 PolarHBondContact O-N 2.89Å; I51-Q53 VanDerWaalsContact C-N 3.33Å; I51-Q53 PolarHBondContact O-N 2.97Å
54E94.8Very high96.1Very high117 Ų11758.7 Ų58.755%0.54730%0.304SS..Hα-helixtrans-68.5-35.6-179.8-172.5-172163.800112.7K29 D50 I51K29-E54 WeakPolarHBondContact CE-OE1 3.49Å; K29-E54 IonicContact NZ-OE1 3.59Å; K29-E54 PolarHBondContact NZ-OE1 3.43Å; D50-E54 WeakPolarHBondContact O-CB 3.43Å; D50-E54 PolarHBondContact O-N 2.93Å; I51-E54 PolarHBondContact O-N 3.43Å
55T94.4Very high96.1Very high41 Ų4160.1 Ų60.125%0.25231%0.31SS..Hα-helixtrans-104.2-14-170.260.60000114.2V28 K29 I51 A57V28-T55 HydrophobicContact CB-CG2 4.4Å; V28-T55 HydrophobicContact CG1-CG2 4Å; V28-T55 WeakPolarHBondContact CG1-OG1 3.45Å; K29-T55 HydrophobicContact CG-CG2 3.77Å; I51-T55 HydrophobicContact CG2-CG2 4.2Å; I51-T55 WeakPolarHBondContact O-CB 3.23Å; I51-T55 WeakPolarHBondContact O-CG2 3.17Å; I51-T55 PolarHBondContact O-N 3.4Å; I51-T55 PolarHBondContact O-OG1 2.81Å; T55-A57 PolarHBondContact O-N 3.39Å; T55-A57 VanDerWaalsContact OG1-CB 3.25Å; T55-A57 WeakPolarHBondContact OG1-CB 3.39Å; T55-A57 PolarHBondContact OG1-N 2.95Å
56G93.7Very high96.1Very high72 Ų7262.1 Ų62.174%0.74232%0.319SS*.  trans72.711-170.100000113.8R52R52-G56 WeakPolarHBondContact O-CA 3.04Å; R52-G56 PolarHBondContact O-N 3.48Å
57A94.1Very high96.2Very high10 Ų1057.1 Ų57.18%0.08330%0.296CS..  trans-72.315018000000112.6V28 R52 T55 Q61 V62V28-A57 HydrophobicContact CG1-CB 3.5Å; V28-A57 VanDerWaalsContact CG1-CB 3.5Å; R52-A57 VanDerWaalsContact CB-O 3.31Å; R52-A57 WeakPolarHBondContact CB-O 3.48Å; R52-A57 WeakPolarHBondContact CG-O 3.39Å; R52-A57 PolarHBondContact O-N 2.85Å; T55-A57 PolarHBondContact O-N 3.39Å; T55-A57 VanDerWaalsContact OG1-CB 3.25Å; T55-A57 WeakPolarHBondContact OG1-CB 3.39Å; T55-A57 PolarHBondContact OG1-N 2.95Å; A57-Q61 VanDerWaalsContact CA-OE1 3.31Å; A57-Q61 HydrophobicContact CB-CB 3.99Å; A57-Q61 VanDerWaalsContact CB-OE1 3.25Å; A57-V62 HydrophobicContact CB-CG2 4.04Å
58D93.1Very high96.2Very high59 Ų5958.8 Ų58.832%0.31630%0.304SS..  trans-87.4175.7175.277.59.5000112.5R60 Q61 V62D58-R60 PolarHBondContact O-N 2.99Å; D58-R60 WeakPolarHBondContact OD1-CA 3.22Å; D58-R60 VanDerWaalsContact OD1-CB 3.3Å; D58-R60 WeakPolarHBondContact OD1-CB 3.48Å; D58-R60 PolarHBondContact OD1-N 3.2Å; D58-R60 IonicContact OD2-CZ 2.95Å; D58-R60 IonicContact OD2-NE 3.25Å; D58-R60 PolarHBondContact OD2-NE 3.08Å; D58-R60 VanDerWaalsContact OD2-NE 3.09Å; D58-R60 IonicContact OD2-NH2 3.46Å; D58-R60 PolarHBondContact OD2-NH2 3.11Å; D58-Q61 PolarHBondContact O-N 3.22Å; D58-Q61 PolarHBondContact OD1-N 3.3Å; D58-V62 PolarHBondContact O-N 2.98Å
59S90.2Very high96.2Very high76 Ų7659.3 Ų59.353%0.53131%0.307SS..THydrogen-bonded Turntrans-66.7-15.6177.756.50000114.1V62 M63S59-V62 CarbonylContact O-C 3.26Å; S59-V62 VanDerWaalsContact O-O 3.09Å; S59-M63 WeakPolarHBondContact O-CG 3.42Å
60R91.3Very high96.3Very high177 Ų17754.8 Ų54.867%0.66829%0.287SS*.THydrogen-bonded Turntrans-84.5-30.7175.8-60.4179.5-67.7-176.9-2.5111.4R33 D58R33-R60 WeakPolarHBondContact CD-O 3.42Å; R33-R60 WeakPolarHBondContact CG-O 3.38Å; R33-R60 PolarHBondContact NE-O 3.21Å; D58-R60 PolarHBondContact O-N 2.99Å; D58-R60 WeakPolarHBondContact OD1-CA 3.22Å; D58-R60 VanDerWaalsContact OD1-CB 3.3Å; D58-R60 WeakPolarHBondContact OD1-CB 3.48Å; D58-R60 PolarHBondContact OD1-N 3.2Å; D58-R60 IonicContact OD2-CZ 2.95Å; D58-R60 IonicContact OD2-NE 3.25Å; D58-R60 PolarHBondContact OD2-NE 3.08Å; D58-R60 VanDerWaalsContact OD2-NE 3.09Å; D58-R60 IonicContact OD2-NH2 3.46Å; D58-R60 PolarHBondContact OD2-NH2 3.11Å
61Q94.9Very high96.3Very high66 Ų6651.4 Ų51.431%0.30827%0.27SS..THydrogen-bonded Turntrans-76.5-31174.5-76.2-173.6-36.600113.1R33 V34 A57 D58R33-Q61 CarbonylContact C-O 3.53Å; R33-Q61 WeakPolarHBondContact CA-O 3.26Å; V34-Q61 PolarHBondContact N-O 3.15Å; A57-Q61 VanDerWaalsContact CA-OE1 3.31Å; A57-Q61 HydrophobicContact CB-CB 3.99Å; A57-Q61 VanDerWaalsContact CB-OE1 3.25Å; D58-Q61 PolarHBondContact O-N 3.22Å; D58-Q61 PolarHBondContact OD1-N 3.3Å
62V98Very high96.4Very high0 Ų052.1 Ų52.10%027%0.273CS..EExtended strand (participates in β ladder)trans-125.8103.2177-171.40000109.2V28 M36 A48 I51 R52 A57 D58 S59V28-V62 HydrophobicContact CG1-CG2 4.24Å; V28-V62 HydrophobicContact CG2-CG2 3.6Å; M36-V62 HydrophobicContact CG-CG1 4.35Å; M36-V62 HydrophobicContact SD-CG1 3.57Å; M36-V62 VanDerWaalsContact SD-CG1 3.57Å; A48-V62 HydrophobicContact CB-CG1 3.87Å; I51-V62 HydrophobicContact CG2-CG1 4.5Å; I51-V62 HydrophobicContact CG2-CG2 3.99Å; R52-V62 HydrophobicContact CG-CB 3.96Å; R52-V62 HydrophobicContact CG-CG2 4.09Å; R52-V62 PolarHBondContact NE-O 3.49Å; R52-V62 VanDerWaalsContact NE-O 3.16Å; R52-V62 PolarHBondContact NH2-O 3.04Å; A57-V62 HydrophobicContact CB-CG2 4.04Å; D58-V62 PolarHBondContact O-N 2.98Å; S59-V62 CarbonylContact O-C 3.26Å; S59-V62 VanDerWaalsContact O-O 3.09Å
63M97.8Very high96.4Very high50 Ų5059.6 Ų59.625%0.24630%0.301CS..EExtended strand (participates in β ladder)trans-111.8149.3-178.1-69.6-179.564.200111.2R33 V34 I35 M36 S59R33-M63 PolarHBondContact NH2-SD 2.97Å; V34-M63 PolarHBondContact O-N 3.42Å; I35-M63 CarbonylContact C-O 3.25Å; I35-M63 WeakPolarHBondContact CA-O 3.31Å; M36-M63 WeakPolarHBondContact CB-O 3.19Å; M36-M63 PolarHBondContact N-O 3.11Å; S59-M63 WeakPolarHBondContact O-CG 3.42Å
64V98.4Very high96.5Very high20 Ų2053.9 Ų53.912%0.12128%0.277CS..EExtended strand (participates in β ladder)trans-112.1131.4175.5176.30000109.1M36 Q41 A44 E45 A48M36-V64 HydrophobicContact CB-CG2 4.34Å; M36-V64 HydrophobicContact SD-CG2 4.49Å; Q41-V64 HydrophobicContact CG-CG1 4.1Å; A44-V64 HydrophobicContact CB-CG1 3.52Å; A44-V64 HydrophobicContact CB-CG2 4.2Å; E45-V64 WeakPolarHBondContact OE2-CG2 3.48Å; A48-V64 HydrophobicContact CB-CG2 3.65Å
65K98.3Very high96.7Very high30 Ų3048.3 Ų48.313%0.1325%0.251CS..EExtended strand (participates in β ladder)trans-130.5137.6173.8-79.6-82.9-174.2178.20108.7I35 M36 A37 C38 L67 F78 D81 I82 E85I35-K65 HydrophobicContact CG2-CB 4.01Å; I35-K65 HydrophobicContact CG2-CG 3.86Å; M36-K65 PolarHBondContact O-N 3.36Å; A37-K65 WeakPolarHBondContact CA-O 3.47Å; C38-K65 PolarHBondContact N-O 3.26Å; K65-L67 PolarHBondContact O-N 2.97Å; K65-F78 HydrophobicContact CB-CD2 3.97Å; K65-F78 HydrophobicContact CB-CE2 3.54Å; K65-F78 HydrophobicContact CG-CE2 4.4Å; K65-D81 IonicContact NZ-OD2 2.7Å; K65-I82 HydrophobicContact CG-CD1 4.39Å; K65-E85 WeakPolarHBondContact CE-OE2 3.45Å; K65-E85 IonicContact NZ-OE1 2.71Å; K65-E85 PolarHBondContact NZ-OE1 2.83Å; K65-E85 IonicContact NZ-OE2 2.77Å; K65-E85 PolarHBondContact NZ-OE2 3.35Å
66Q98.4Very high96.9Very high115 Ų11550.3 Ų50.354%0.53725%0.254SS..EExtended strand (participates in β ladder)trans-71.2129.7178.9-171.2-165.653.800110C38 F78C38-Q66 CarbonylContact O-C 3.45Å; C38-Q66 VanDerWaalsContact O-CA 3.31Å; C38-Q66 WeakPolarHBondContact O-CA 3.4Å; Q66-F78 WeakPolarHBondContact O-CD2 3.35Å
67L98.8Very high97.2Very high5 Ų549.7 Ų49.73%0.02624%0.238CC..  trans-146.9112.6172.8174.764000109.9T13 A37 C38 R39 K65 L69 V75 F78 L124T13-L67 HydrophobicContact CG2-CD2 3.8Å; A37-L67 HydrophobicContact CB-CB 3.96Å; A37-L67 HydrophobicContact CB-CD2 3.66Å; A37-L67 HydrophobicContact CB-CG 4.47Å; C38-L67 CarbonylContact C-O 3.5Å; C38-L67 VanDerWaalsContact C-O 3.26Å; C38-L67 PolarHBondContact O-N 3.27Å; R39-L67 VanDerWaalsContact CA-O 3.23Å; R39-L67 WeakPolarHBondContact CA-O 3.28Å; R39-L67 PolarHBondContact N-O 2.56Å; K65-L67 PolarHBondContact O-N 2.97Å; L67-L69 HydrophobicContact CD2-CD2 4.23Å; L67-L69 HydrophobicContact CD2-CG 4.33Å; L67-L69 HydrophobicContact CG-CD2 4.45Å; L67-L69 HydrophobicContact CG-CG 4.29Å; L67-V75 HydrophobicContact CD1-CB 4.4Å; L67-V75 HydrophobicContact CD1-CG2 4.04Å; L67-F78 HydrophobicContact CB-CD2 3.89Å; L67-F78 HydrophobicContact CB-CE2 4.27Å; L67-F78 HydrophobicContact CB-CG 4.21Å; L67-F78 HydrophobicContact CD1-CB 3.83Å; L67-F78 HydrophobicContact CD1-CD1 4.18Å; L67-F78 HydrophobicContact CD1-CD2 4.46Å; L67-F78 HydrophobicContact CD1-CG 3.91Å; L67-F78 HydrophobicContact CD2-CD1 4.45Å; L67-F78 HydrophobicContact CD2-CE1 4.47Å; L67-F78 HydrophobicContact CG-CG 4.44Å; L67-L124 HydrophobicContact CD2-CD1 4.46Å; L67-L124 HydrophobicContact CD2-CD2 4.05Å
68D98.7Very high97.4Very high37 Ų3749.4 Ų49.420%0.19824%0.235CC..  trans-101.6109.9166.1-161.9-12.7000110.8R39 A70 S71 S74R39-D68 HydrophobicContact CB-CB 4.45Å; R39-D68 WeakPolarHBondContact CD-OD1 3.39Å; R39-D68 WeakPolarHBondContact CD-OD2 3.48Å; R39-D68 HydrophobicContact CG-CB 3.92Å; R39-D68 WeakPolarHBondContact CG-OD2 3.23Å; D68-A70 PolarHBondContact O-N 3.31Å; D68-A70 WeakPolarHBondContact OD1-CB 3.48Å; D68-A70 PolarHBondContact OD1-N 3.44Å; D68-S71 PolarHBondContact O-N 3.39Å; D68-S71 VanDerWaalsContact O-O 3.14Å; D68-S74 PolarHBondContact N-OG 2.7Å; D68-S74 WeakPolarHBondContact O-CB 3.33Å
69L98.8Very high97.7Very high12 Ų1246.7 Ų46.76%0.06322%0.22CC..THydrogen-bonded Turntrans-72.6-10.1177.3-69.8161.5000113.2L67 V75 A96 V116 G120 H121L67-L69 HydrophobicContact CD2-CD2 4.23Å; L67-L69 HydrophobicContact CD2-CG 4.33Å; L67-L69 HydrophobicContact CG-CD2 4.45Å; L67-L69 HydrophobicContact CG-CG 4.29Å; L69-V75 HydrophobicContact CD2-CG2 4.23Å; L69-A96 HydrophobicContact CD1-CB 3.45Å; L69-A96 VanDerWaalsContact CD1-CB 3.45Å; L69-V116 HydrophobicContact CB-CG1 4.09Å; L69-G120 VanDerWaalsContact CD2-C 3.45Å; L69-H121 VanDerWaalsContact CD1-CE1 3.45Å; L69-H121 WeakPolarHBondContact CD1-CE1 3.36Å; L69-H121 VanDerWaalsContact CD1-NE2 3.34Å; L69-H121 WeakPolarHBondContact CD1-NE2 3.37Å
70A98.5Very high98.1Very high7 Ų749.3 Ų49.36%0.05822%0.224CC..THydrogen-bonded Turntrans-85.69.4171.400000113D68 T106 E107 M112 V116D68-A70 PolarHBondContact O-N 3.31Å; D68-A70 WeakPolarHBondContact OD1-CB 3.48Å; D68-A70 PolarHBondContact OD1-N 3.44Å; A70-T106 HydrophobicContact CB-CG2 4.07Å; A70-T106 VanDerWaalsContact O-CB 3.27Å; A70-T106 WeakPolarHBondContact O-CB 3.4Å; A70-E107 PolarHBondContact O-N 2.85Å; A70-M112 HydrophobicContact CB-SD 4.19Å; A70-V116 HydrophobicContact CB-CG2 3.73Å
71S98.8Very high98.4Very high4 Ų443.9 Ų43.93%0.02821%0.208CC..  trans-140.7110178.3178.10000110.1D68 R73 S74 V75 E107 D108D68-S71 PolarHBondContact O-N 3.39Å; D68-S71 VanDerWaalsContact O-O 3.14Å; S71-R73 PolarHBondContact O-N 2.65Å; S71-S74 WeakPolarHBondContact O-CB 3.17Å; S71-S74 PolarHBondContact O-N 2.95Å; S71-S74 PolarHBondContact OG-N 2.71Å; S71-V75 WeakPolarHBondContact O-CG2 3.35Å; S71-V75 PolarHBondContact O-N 3.44Å; S71-E107 WeakPolarHBondContact CB-OE2 3.2Å; S71-E107 PolarHBondContact OG-OE2 3.25Å; S71-D108 WeakPolarHBondContact CA-OD2 3.43Å
72L98.8Very high98.6Very high14 Ų1440.7 Ų40.77%0.07319%0.194CC..Hα-helixtrans-62.2-29.2177.8-60.3-174.2000111.6V75 R76 D108 F110 L123 V285L72-V75 PolarHBondContact O-N 3.49Å; L72-R76 WeakPolarHBondContact O-CG 3.49Å; L72-R76 PolarHBondContact O-N 3.46Å; L72-D108 WeakPolarHBondContact CB-OD1 3.5Å; L72-D108 HydrophobicContact CD1-CB 4.29Å; L72-D108 HydrophobicContact CG-CB 4.19Å; L72-D108 VanDerWaalsContact CG-CG 3.49Å; L72-D108 WeakPolarHBondContact CG-OD2 3.38Å; L72-D108 PolarHBondContact N-OD2 2.92Å; L72-F110 HydrophobicContact CD1-CE2 3.85Å; L72-F110 HydrophobicContact CD1-CZ 4.32Å; L72-F110 HydrophobicContact CD2-CE2 4.5Å; L72-F110 HydrophobicContact CG-CE2 4.23Å; L72-L123 HydrophobicContact CB-CD2 3.75Å; L72-L123 HydrophobicContact CD1-CD2 4.46Å; L72-L123 HydrophobicContact CD2-CB 4.42Å; L72-L123 HydrophobicContact CD2-CD2 3.61Å; L72-L123 HydrophobicContact CG-CD2 4.11Å; L72-V285 HydrophobicContact CD1-CB 4Å; L72-V285 HydrophobicContact CD1-CG1 4.16Å; L72-V285 HydrophobicContact CD2-CB 4.39Å; L72-V285 HydrophobicContact CD2-CG1 3.98Å
73R98.6Very high98.6Very high203 Ų20344.4 Ų44.477%0.76621%0.213SC*.Hα-helixtrans-61.9-45.3171.3-167.1-174.196.9-177.55.5111.5S71 V75 R76 S77S71-R73 PolarHBondContact O-N 2.65Å; R73-V75 VanDerWaalsContact C-N 3.33Å; R73-R76 PolarHBondContact O-N 3.41Å; R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 3.02Å
74S98.8Very high98.6Very high17 Ų1750.6 Ų50.612%0.11924%0.238CC..Hα-helixtrans-62.3-42.2176.2-177.60000111.4D68 S71 R76 S77 F78D68-S74 PolarHBondContact N-OG 2.7Å; D68-S74 WeakPolarHBondContact O-CB 3.33Å; S71-S74 WeakPolarHBondContact O-CB 3.17Å; S71-S74 PolarHBondContact O-N 2.95Å; S71-S74 PolarHBondContact OG-N 2.71Å; S74-R76 PolarHBondContact O-N 3.24Å; S74-S77 PolarHBondContact O-N 3.23Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 2.97Å
75V98.9Very high98.5Very high0 Ų054 Ų540%025%0.253CS..Hα-helixtrans-59.6-45.9176.1178.80000111.5L67 L69 S71 L72 R73 F78 C79 L123 L124L67-V75 HydrophobicContact CD1-CB 4.4Å; L67-V75 HydrophobicContact CD1-CG2 4.04Å; L69-V75 HydrophobicContact CD2-CG2 4.23Å; S71-V75 WeakPolarHBondContact O-CG2 3.35Å; S71-V75 PolarHBondContact O-N 3.44Å; L72-V75 PolarHBondContact O-N 3.49Å; R73-V75 VanDerWaalsContact C-N 3.33Å; V75-F78 PolarHBondContact O-N 3.34Å; V75-C79 PolarHBondContact O-N 2.98Å; V75-C79 PolarHBondContact O-SG 2.96Å; V75-L123 HydrophobicContact CB-CD2 3.95Å; V75-L123 HydrophobicContact CB-CG 4.42Å; V75-L123 HydrophobicContact CG1-CB 4.12Å; V75-L123 HydrophobicContact CG1-CD2 3.85Å; V75-L123 HydrophobicContact CG1-CG 3.76Å; V75-L124 HydrophobicContact CG1-CB 3.89Å; V75-L124 HydrophobicContact CG1-CD1 4.45Å
76R98.8Very high98.5Very high82 Ų8253.2 Ų53.231%0.30925%0.249SC..Hα-helixtrans-62.2-50178.2-72.2172.3-170.9-814.4111.8L72 R73 S74 F78 C79 E80 L123 L127 V285 G286L72-R76 WeakPolarHBondContact O-CG 3.49Å; L72-R76 PolarHBondContact O-N 3.46Å; R73-R76 PolarHBondContact O-N 3.41Å; S74-R76 PolarHBondContact O-N 3.24Å; R76-F78 VanDerWaalsContact C-N 3.31Å; R76-F78 PolarHBondContact O-N 3.41Å; R76-C79 PolarHBondContact O-N 3.25Å; R76-C79 VanDerWaalsContact O-N 3.07Å; R76-E80 WeakPolarHBondContact O-CG 3.49Å; R76-E80 PolarHBondContact O-N 3.24Å; R76-L123 HydrophobicContact CG-CD2 4.24Å; R76-L127 HydrophobicContact CB-CD1 4.43Å; R76-L127 HydrophobicContact CG-CD1 3.8Å; R76-V285 PolarHBondContact NH2-O 2.66Å; R76-G286 PolarHBondContact NH2-O 3.13Å
77S98.6Very high98.4Very high59 Ų5952.7 Ų52.741%0.41326%0.256SS..Hα-helixtrans-59-41.9177.9-1770000112R73 S74 C79 E80 D81R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 3.02Å; S74-S77 PolarHBondContact O-N 3.23Å; S77-C79 PolarHBondContact O-N 3.47Å; S77-E80 PolarHBondContact O-N 2.98Å; S77-D81 PolarHBondContact O-N 3.48Å; S77-D81 VanDerWaalsContact O-N 3.12Å
78F98.8Very high98.3Very high4 Ų455.8 Ų55.82%0.01827%0.272CS..Hα-helixtrans-60.4-45.5174.2172.7-90000111.5I11 A37 K65 Q66 L67 S74 V75 R76 D81 I82 L124 L128I11-F78 HydrophobicContact CD1-CE1 4.19Å; I11-F78 HydrophobicContact CD1-CZ 4.08Å; I11-F78 HydrophobicContact CG1-CZ 4.46Å; I11-F78 HydrophobicContact CG2-CE1 4.49Å; I11-F78 HydrophobicContact CG2-CZ 4.08Å; A37-F78 HydrophobicContact CB-CD2 4.49Å; A37-F78 HydrophobicContact CB-CE2 3.54Å; A37-F78 HydrophobicContact CB-CZ 3.57Å; K65-F78 HydrophobicContact CB-CD2 3.97Å; K65-F78 HydrophobicContact CB-CE2 3.54Å; K65-F78 HydrophobicContact CG-CE2 4.4Å; Q66-F78 WeakPolarHBondContact O-CD2 3.35Å; L67-F78 HydrophobicContact CB-CD2 3.89Å; L67-F78 HydrophobicContact CB-CE2 4.27Å; L67-F78 HydrophobicContact CB-CG 4.21Å; L67-F78 HydrophobicContact CD1-CB 3.83Å; L67-F78 HydrophobicContact CD1-CD1 4.18Å; L67-F78 HydrophobicContact CD1-CD2 4.46Å; L67-F78 HydrophobicContact CD1-CG 3.91Å; L67-F78 HydrophobicContact CD2-CD1 4.45Å; L67-F78 HydrophobicContact CD2-CE1 4.47Å; L67-F78 HydrophobicContact CG-CG 4.44Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 2.97Å; V75-F78 PolarHBondContact O-N 3.34Å; R76-F78 VanDerWaalsContact C-N 3.31Å; R76-F78 PolarHBondContact O-N 3.41Å; F78-D81 PolarHBondContact O-N 3.24Å; F78-I82 HydrophobicContact CD1-CG1 4.09Å; F78-I82 HydrophobicContact CD2-CG1 4.46Å; F78-I82 HydrophobicContact CE1-CD1 4.45Å; F78-I82 HydrophobicContact CE1-CG1 3.64Å; F78-I82 HydrophobicContact CE2-CD1 4.24Å; F78-I82 HydrophobicContact CE2-CG1 4.08Å; F78-I82 HydrophobicContact CG-CG1 4.47Å; F78-I82 HydrophobicContact CZ-CD1 3.96Å; F78-I82 HydrophobicContact CZ-CG1 3.64Å; F78-I82 VanDerWaalsContact O-CG1 3.27Å; F78-I82 WeakPolarHBondContact O-CG1 3.13Å; F78-I82 PolarHBondContact O-N 2.81Å; F78-L124 HydrophobicContact CD1-CD1 3.62Å; F78-L124 HydrophobicContact CE1-CD1 3.66Å; F78-L128 HydrophobicContact CE1-CD1 4.36Å
79C98.8Very high98.3Very high2 Ų254 Ų541%0.01426%0.263CS..Hα-helixtrans-66-41.1-179.3-64.10000112.1V75 R76 S77 D81 I82 I83 L127 L128V75-C79 PolarHBondContact O-N 2.98Å; V75-C79 PolarHBondContact O-SG 2.96Å; R76-C79 PolarHBondContact O-N 3.25Å; R76-C79 VanDerWaalsContact O-N 3.07Å; S77-C79 PolarHBondContact O-N 3.47Å; C79-D81 VanDerWaalsContact C-N 3.35Å; C79-D81 PolarHBondContact O-N 3.4Å; C79-I82 PolarHBondContact O-N 3.22Å; C79-I83 WeakPolarHBondContact O-CB 3.5Å; C79-I83 WeakPolarHBondContact O-CD1 3.24Å; C79-I83 WeakPolarHBondContact O-CG1 3.49Å; C79-I83 PolarHBondContact O-N 3.25Å; C79-L127 HydrophobicContact CB-CB 3.81Å; C79-L127 HydrophobicContact CB-CD1 4.04Å; C79-L128 HydrophobicContact CB-CD2 4.11Å
80E98.6Very high98.3Very high131 Ų13154.3 Ų54.361%0.61226%0.264SS*.Hα-helixtrans-57.6-47175.4-73.7170.6-170.900111.5R76 S77 I83 K84R76-E80 WeakPolarHBondContact O-CG 3.49Å; R76-E80 PolarHBondContact O-N 3.24Å; S77-E80 PolarHBondContact O-N 2.98Å; E80-I83 PolarHBondContact O-N 2.66Å; E80-K84 WeakPolarHBondContact O-CB 3.04Å; E80-K84 PolarHBondContact O-N 3.08Å
81D98.4Very high98.3Very high63 Ų6354.1 Ų54.134%0.33726%0.262SS..Hα-helixtrans-61.4-47176.4-77.8-6.1000111.7K65 S77 F78 C79 K84 E85K65-D81 IonicContact NZ-OD2 2.7Å; S77-D81 PolarHBondContact O-N 3.48Å; S77-D81 VanDerWaalsContact O-N 3.12Å; F78-D81 PolarHBondContact O-N 3.24Å; C79-D81 VanDerWaalsContact C-N 3.35Å; C79-D81 PolarHBondContact O-N 3.4Å; D81-K84 PolarHBondContact O-N 3Å; D81-E85 WeakPolarHBondContact O-CB 3.35Å; D81-E85 WeakPolarHBondContact O-CG 3.41Å; D81-E85 PolarHBondContact O-N 3.06Å
82I98.6Very high98.3Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-62.2-45.7178.9-68.7-60.9000111.1I11 I35 K65 F78 C79 K84 E85 E86 L128 L131I11-I82 HydrophobicContact CD1-CD1 4.12Å; I11-I82 HydrophobicContact CD1-CG1 4.12Å; I11-I82 HydrophobicContact CD1-CG2 3.89Å; I35-I82 HydrophobicContact CD1-CD1 3.85Å; I35-I82 HydrophobicContact CG2-CD1 4.14Å; K65-I82 HydrophobicContact CG-CD1 4.39Å; F78-I82 HydrophobicContact CD1-CG1 4.09Å; F78-I82 HydrophobicContact CD2-CG1 4.46Å; F78-I82 HydrophobicContact CE1-CD1 4.45Å; F78-I82 HydrophobicContact CE1-CG1 3.64Å; F78-I82 HydrophobicContact CE2-CD1 4.24Å; F78-I82 HydrophobicContact CE2-CG1 4.08Å; F78-I82 HydrophobicContact CG-CG1 4.47Å; F78-I82 HydrophobicContact CZ-CD1 3.96Å; F78-I82 HydrophobicContact CZ-CG1 3.64Å; F78-I82 VanDerWaalsContact O-CG1 3.27Å; F78-I82 WeakPolarHBondContact O-CG1 3.13Å; F78-I82 PolarHBondContact O-N 2.81Å; C79-I82 PolarHBondContact O-N 3.22Å; I82-K84 PolarHBondContact O-N 2.94Å; I82-E85 PolarHBondContact O-N 3.47Å; I82-E86 HydrophobicContact CD1-CG 4.19Å; I82-E86 HydrophobicContact CG2-CB 4.24Å; I82-E86 HydrophobicContact CG2-CG 4.09Å; I82-E86 WeakPolarHBondContact O-CA 3.36Å; I82-E86 WeakPolarHBondContact O-CB 3.48Å; I82-E86 PolarHBondContact O-N 3.48Å; I82-L128 HydrophobicContact CB-CD2 4.13Å; I82-L128 HydrophobicContact CG2-CD2 3.74Å; I82-L131 HydrophobicContact CG2-CD2 3.88Å
83I98.5Very high98.3Very high77 Ų7753.3 Ų53.340%0.39526%0.257SS..Hα-helixtrans-63.6-33.4-179.5-69.9163000111.2C79 E80 L128C79-I83 WeakPolarHBondContact O-CB 3.5Å; C79-I83 WeakPolarHBondContact O-CD1 3.24Å; C79-I83 WeakPolarHBondContact O-CG1 3.49Å; C79-I83 PolarHBondContact O-N 3.25Å; E80-I83 PolarHBondContact O-N 2.66Å; I83-L128 HydrophobicContact CG1-CD2 4.19Å
84K98Very high98.4Very high181 Ų18143.7 Ų43.779%0.78722%0.221SC*.Hα-helixtrans-75.9-40.1178.5-176.7-179177.5-175.40112.9E80 D81 I82E80-K84 WeakPolarHBondContact O-CB 3.04Å; E80-K84 PolarHBondContact O-N 3.08Å; D81-K84 PolarHBondContact O-N 3Å; I82-K84 PolarHBondContact O-N 2.94Å
85E97.1Very high98.3Very high92 Ų9243.7 Ų43.743%0.4322%0.22SC..Hα-helixtrans-94.5-28.7-171-67.6175-159.900113.5K65 D81 I82K65-E85 WeakPolarHBondContact CE-OE2 3.45Å; K65-E85 IonicContact NZ-OE1 2.71Å; K65-E85 PolarHBondContact NZ-OE1 2.83Å; K65-E85 IonicContact NZ-OE2 2.77Å; K65-E85 PolarHBondContact NZ-OE2 3.35Å; D81-E85 WeakPolarHBondContact O-CB 3.35Å; D81-E85 WeakPolarHBondContact O-CG 3.41Å; D81-E85 PolarHBondContact O-N 3.06Å; I82-E85 PolarHBondContact O-N 3.47Å
86E97.4Very high98.2Very high12 Ų1244.3 Ų44.36%0.05623%0.225CC..  trans-104.8117.9-171.9-58-59.3158.700111.8R33 I35 I82 L88 L131R33-E86 IonicContact CZ-OE1 3.1Å; R33-E86 IonicContact CZ-OE2 3.85Å; R33-E86 IonicContact NH1-OE1 3.85Å; R33-E86 PolarHBondContact NH1-OE1 3.47Å; R33-E86 IonicContact NH1-OE2 2.68Å; R33-E86 PolarHBondContact NH1-OE2 3.12Å; R33-E86 IonicContact NH2-OE1 3.38Å; R33-E86 PolarHBondContact NH2-OE1 2.99Å; R33-E86 IonicContact NH2-OE2 3.54Å; R33-E86 PolarHBondContact NH2-OE2 2.73Å; I35-E86 HydrophobicContact CD1-CG 3.81Å; I35-E86 WeakPolarHBondContact CD1-OE1 3.31Å; I82-E86 HydrophobicContact CD1-CG 4.19Å; I82-E86 HydrophobicContact CG2-CB 4.24Å; I82-E86 HydrophobicContact CG2-CG 4.09Å; I82-E86 WeakPolarHBondContact O-CA 3.36Å; I82-E86 WeakPolarHBondContact O-CB 3.48Å; I82-E86 PolarHBondContact O-N 3.48Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.07Å; E86-L131 HydrophobicContact CB-CD2 4.45Å
87P95.5Very high98Very high104 Ų10441.7 Ų41.768%0.67522%0.223SC*.SBendtrans-71.6-29.917828.7-34.3000112.2
88L97.6Very high97.8Very high70 Ų7039.8 Ų39.837%0.36621%0.209SC..  trans-143.7139.8-174.7-62.3172.7000110.9T9 E86 S135T9-L88 VanDerWaalsContact CB-O 3.31Å; T9-L88 WeakPolarHBondContact CB-O 3.45Å; T9-L88 PolarHBondContact OG1-O 3.09Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.07Å; L88-S135 VanDerWaalsContact CA-OG 3.32Å; L88-S135 WeakPolarHBondContact CA-OG 3.19Å
89L98.7Very high97.4Very high1 Ų141.8 Ų41.81%0.00522%0.217CC..  trans-127.9110.6171.3177.560.2000109T9 I11 V91 L128 L131 L132 S135T9-L89 HydrophobicContact CG2-CD1 4.43Å; I11-L89 HydrophobicContact CB-CD1 4.18Å; I11-L89 HydrophobicContact CD1-CD1 3.7Å; I11-L89 HydrophobicContact CD1-CD2 3.85Å; I11-L89 HydrophobicContact CD1-CG 4.42Å; I11-L89 HydrophobicContact CG1-CD1 3.79Å; L89-V91 WeakPolarHBondContact CD1-O 3.49Å; L89-L128 HydrophobicContact CD2-CB 4.17Å; L89-L128 HydrophobicContact CD2-CD1 3.97Å; L89-L131 HydrophobicContact CB-CD2 3.69Å; L89-L131 HydrophobicContact CB-CG 3.77Å; L89-L131 HydrophobicContact CD2-CD2 4.38Å; L89-L132 HydrophobicContact CB-CD2 4.5Å; L89-L132 HydrophobicContact CD2-CD2 3.96Å; L89-L132 HydrophobicContact CD2-CG 4.01Å; L89-L132 HydrophobicContact CG-CD2 3.84Å; L89-L132 HydrophobicContact CG-CG 4.34Å; L89-S135 PolarHBondContact N-OG 3.48Å; L89-S135 WeakPolarHBondContact O-CB 3.23Å; L89-S135 PolarHBondContact O-OG 2.81Å
90H98.8Very high96.9Very high17 Ų1743.6 Ų43.68%0.07923%0.225CC..  trans-95.5-30.1-172.8-62.890.9000112.6G7 K8 T9 S138 R139G7-H90 PolarHBondContact O-CE1 2.81Å; K8-H90 HydrophobicContact CB-CB 4.11Å; K8-H90 HydrophobicContact CD-CB 3.85Å; K8-H90 WeakPolarHBondContact CD-CD2 3.42Å; K8-H90 VanDerWaalsContact CD-CG 3.47Å; K8-H90 PolarHBondContact NZ-CD2 2.83Å; T9-H90 PolarHBondContact N-ND1 2.92Å; T9-H90 PolarHBondContact O-N 2.83Å; H90-S138 CarbonylContact O-C 3.57Å; H90-S138 WeakPolarHBondContact O-CA 3.4Å; H90-S138 VanDerWaalsContact O-CB 3.23Å; H90-S138 WeakPolarHBondContact O-CB 3.49Å; H90-R139 PolarHBondContact O-N 2.99Å
91V98.9Very high96.2Very high4 Ų437.8 Ų37.82%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-140130.6177.6-173.70000111M5 T9 V10 I11 L89 I93 R139 V141 A243M5-V91 HydrophobicContact CE-CG2 3.86Å; T9-V91 PolarHBondContact O-N 2.81Å; V10-V91 CarbonylContact C-O 3.47Å; V10-V91 VanDerWaalsContact CA-O 3.3Å; V10-V91 WeakPolarHBondContact CA-O 3.3Å; V10-V91 HydrophobicContact CB-CB 4.3Å; V10-V91 HydrophobicContact CG1-CB 3.92Å; V10-V91 HydrophobicContact CG1-CG1 4.17Å; V10-V91 HydrophobicContact CG2-CB 3.92Å; V10-V91 HydrophobicContact CG2-CG2 4.17Å; I11-V91 PolarHBondContact N-O 3.35Å; L89-V91 WeakPolarHBondContact CD1-O 3.49Å; V91-I93 HydrophobicContact CG1-CD1 4.29Å; V91-I93 HydrophobicContact CG1-CG1 3.74Å; V91-R139 CarbonylContact C-O 3.42Å; V91-R139 VanDerWaalsContact CA-O 3.22Å; V91-R139 WeakPolarHBondContact CA-O 3.27Å; V91-R139 HydrophobicContact CG1-CB 4.44Å; V91-R139 HydrophobicContact CG2-CB 4.36Å; V91-V141 HydrophobicContact CG1-CG2 4.33Å; V91-A243 HydrophobicContact CG1-CB 3.88Å
92L98.9Very high95.9Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-110.9117.2168.4175.662.1000109.4I11 L124 T125 L128 L132 R139 I140 V141I11-L92 HydrophobicContact CB-CD1 3.95Å; I11-L92 HydrophobicContact CG2-CD1 3.73Å; L92-L124 HydrophobicContact CD1-CD2 4.14Å; L92-L124 HydrophobicContact CD1-CG 4.5Å; L92-T125 HydrophobicContact CD2-CG2 4.24Å; L92-L128 HydrophobicContact CD1-CD1 4.38Å; L92-L132 HydrophobicContact CB-CD1 4.39Å; L92-L132 HydrophobicContact CB-CD2 4.31Å; L92-L132 HydrophobicContact CD2-CD1 4.29Å; L92-R139 PolarHBondContact N-O 3.32Å; L92-I140 WeakPolarHBondContact O-CA 3.49Å; L92-V141 PolarHBondContact O-N 3.29Å
93I98.9Very high95.8Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-107.1102.9177.1-49.1-172.8000109.5V10 I11 V12 T13 T23 V91 N95 V141 A243V10-I93 HydrophobicContact CG1-CD1 4.01Å; V10-I93 HydrophobicContact CG1-CG1 4.11Å; I11-I93 PolarHBondContact O-N 3.02Å; V12-I93 HydrophobicContact CG1-CB 4.35Å; V12-I93 HydrophobicContact CG1-CG2 4.49Å; V12-I93 HydrophobicContact CG2-CB 4.28Å; V12-I93 HydrophobicContact CG2-CD1 4.02Å; V12-I93 HydrophobicContact CG2-CG1 4.33Å; T13-I93 PolarHBondContact N-O 2.87Å; T13-I93 PolarHBondContact OG1-O 3.09Å; T23-I93 HydrophobicContact CG2-CD1 3.63Å; V91-I93 HydrophobicContact CG1-CD1 4.29Å; V91-I93 HydrophobicContact CG1-CG1 3.74Å; I93-N95 VanDerWaalsContact C-N 3.27Å; I93-N95 HydrophobicContact CG2-CB 3.93Å; I93-N95 PolarHBondContact O-N 2.95Å; I93-V141 CarbonylContact C-O 3.56Å; I93-V141 WeakPolarHBondContact CA-O 3.48Å; I93-V141 HydrophobicContact CG1-CB 4.27Å; I93-V141 HydrophobicContact CG2-CB 4.3Å; I93-V141 HydrophobicContact CG2-CG1 4.37Å; I93-A243 HydrophobicContact CD1-CB 3.99Å
94N98.9Very high95.7Very high1 Ų141.3 Ų41.31%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-77.976.2173.1-67.9-20.7000109.2H121 T125 V141 V142 V143N94-H121 HydrophobicContact CB-CB 4.25Å; N94-H121 VanDerWaalsContact CB-CD2 3.48Å; N94-H121 WeakPolarHBondContact CB-CD2 3.48Å; N94-H121 PolarHBondContact OD1-CD2 2.8Å; N94-T125 PolarHBondContact ND2-OG1 2.96Å; N94-V141 PolarHBondContact N-O 3.2Å; N94-V142 HydrophobicContact CB-CG2 4.5Å; N94-V143 PolarHBondContact O-N 3.13Å
95N98.6Very high95.7Very high18 Ų1837.1 Ų37.110%0.09620%0.2CC..  trans-98.1-33.4-174160.488.3000113.8V12 T13 G14 G20 I93 V143V12-N95 HydrophobicContact CG1-CB 4.28Å; T13-N95 WeakPolarHBondContact O-CB 3.34Å; T13-N95 PolarHBondContact O-ND2 3.35Å; T13-N95 PolarHBondContact OG1-N 2.93Å; G14-N95 PolarHBondContact O-ND2 3.33Å; G20-N95 VanDerWaalsContact CA-ND2 3.33Å; G20-N95 WeakPolarHBondContact CA-ND2 3.15Å; I93-N95 VanDerWaalsContact C-N 3.27Å; I93-N95 HydrophobicContact CG2-CB 3.93Å; I93-N95 PolarHBondContact O-N 2.95Å; N95-V143 HydrophobicContact CB-CG2 3.92Å
96A96.4Very high95.8Very high13 Ų1333.2 Ų33.211%0.10718%0.183CC..  trans-55.5150.1-174.300000112.1T13 L69 H121T13-A96 PolarHBondContact O-N 2.95Å; T13-A96 WeakPolarHBondContact OG1-CB 3.39Å; T13-A96 PolarHBondContact OG1-N 3.29Å; L69-A96 HydrophobicContact CD1-CB 3.45Å; L69-A96 VanDerWaalsContact CD1-CB 3.45Å; A96-H121 PolarHBondContact O-CE1 3.22Å
97G94.3Very high95.8Very high26 Ų2639.5 Ų39.527%0.26821%0.212SC..  trans-174.8162.4170.600000113.8N117 L207G97-N117 WeakPolarHBondContact CA-OD1 3.46Å; G97-L207 VanDerWaalsContact O-CD1 3.3Å; G97-L207 WeakPolarHBondContact O-CD1 3.3Å
98V93.7Very high96Very high20 Ų2037.6 Ų37.612%0.12120%0.196CC..  trans-118.1149.4173.1-66.40000109.3M112 Q113 V116 N117 Y170V98-M112 HydrophobicContact CG2-CG 4.27Å; V98-Q113 HydrophobicContact CG2-CB 4.37Å; V98-Q113 HydrophobicContact CG2-CG 4.1Å; V98-V116 HydrophobicContact CG1-CG1 4.25Å; V98-V116 HydrophobicContact CG2-CB 3.99Å; V98-V116 HydrophobicContact CG2-CG1 4.15Å; V98-V116 HydrophobicContact CG2-CG2 4.45Å; V98-N117 PolarHBondContact N-OD1 3.46Å; V98-N117 PolarHBondContact O-ND2 3.21Å; V98-N117 PolarHBondContact O-OD1 3.36Å; V98-Y170 VanDerWaalsContact O-CD2 3.3Å; V98-Y170 WeakPolarHBondContact O-CD2 3.37Å; V98-Y170 WeakPolarHBondContact O-CE2 3.45Å
99Y90.7Very high96Very high45 Ų4535.6 Ų35.618%0.17619%0.193CC..  trans-138.9133.7-174.1176.9-117.5000110.5C101 L147 Y170 L207 H210 V211Y99-C101 PolarHBondContact O-N 2.79Å; Y99-C101 VanDerWaalsContact O-N 3.09Å; Y99-L147 HydrophobicContact CE2-CD1 3.81Å; Y99-Y170 AromaticContact CD2-CD1 3.42Å; Y99-Y170 HydrophobicContact CD2-CD1 3.42Å; Y99-Y170 VanDerWaalsContact CD2-CD1 3.42Å; Y99-Y170 AromaticContact CD2-CD2 3.54Å; Y99-Y170 HydrophobicContact CD2-CD2 3.54Å; Y99-Y170 AromaticContact CD2-CE1 3.62Å; Y99-Y170 HydrophobicContact CD2-CE1 3.62Å; Y99-Y170 AromaticContact CD2-CE2 3.73Å; Y99-Y170 HydrophobicContact CD2-CE2 3.73Å; Y99-Y170 AromaticContact CD2-CG 3.34Å; Y99-Y170 HydrophobicContact CD2-CG 3.34Å; Y99-Y170 AromaticContact CD2-CZ 3.75Å; Y99-Y170 AromaticContact CE2-CD1 3.47Å; Y99-Y170 HydrophobicContact CE2-CD1 3.47Å; Y99-Y170 VanDerWaalsContact CE2-CD1 3.47Å; Y99-Y170 HydrophobicContact CE2-CD2 4.41Å; Y99-Y170 AromaticContact CE2-CE1 3.79Å; Y99-Y170 HydrophobicContact CE2-CE1 3.79Å; Y99-Y170 AromaticContact CE2-CG 3.79Å; Y99-Y170 HydrophobicContact CE2-CG 3.79Å; Y99-Y170 HydrophobicContact CG-CD2 4.37Å; Y99-Y170 HydrophobicContact CG-CE2 4.35Å; Y99-L207 HydrophobicContact CG-CG 4.32Å; Y99-H210 PolarHBondContact O-ND1 3.21Å; Y99-V211 HydrophobicContact CD1-CG2 4.21Å; Y99-V211 HydrophobicContact CE1-CG2 3.75Å
100Q87.7Confident96Very high41 Ų4136.6 Ų36.619%0.19220%0.197CC..SBendtrans48.434.8176.9-67.2-167.57.200114.7K166 H210Q100-K166 HydrophobicContact CB-CB 4.14Å; Q100-K166 HydrophobicContact CG-CB 4.25Å; Q100-H210 VanDerWaalsContact O-CB 3.25Å; Q100-H210 WeakPolarHBondContact O-CB 3.35Å
101C84.7Confident95.9Very high8 Ų835.9 Ų35.95%0.05419%0.193CC..  trans-69.1155173.254.40000110.6Y99 Q113 Y164 K166Y99-C101 PolarHBondContact O-N 2.79Å; Y99-C101 VanDerWaalsContact O-N 3.09Å; C101-Q113 WeakPolarHBondContact SG-CG 3.3Å; C101-Y164 WeakPolarHBondContact O-CE1 3.05Å; C101-Y164 PolarHBondContact O-OH 2.96Å; C101-Y164 VanDerWaalsContact O-OH 3.11Å; C101-K166 WeakPolarHBondContact O-CG 3.34Å
102P91.6Very high95.9Very high66 Ų6637.2 Ų37.243%0.42920%0.2SC..  trans-55.3157.2164.7-21.533.6000111.8T104P102-T104 PolarHBondContact O-N 2.89Å; P102-T104 PolarHBondContact O-OG1 3.25Å; P102-T104 VanDerWaalsContact O-OG1 3.13Å
103Y96.4Very high95.9Very high89 Ų8937.2 Ų37.235%0.34920%0.2SC..SBendtrans-57.8114.7172.7-177.1-100.1000109K105 E111 Y164Y103-K105 WeakPolarHBondContact OH-CE 3.42Å; Y103-E111 HydrophobicContact CD2-CG 4.41Å; Y103-E111 HydrophobicContact CE2-CG 4.29Å; Y103-Y164 HydrophobicContact CD2-CD1 4.25Å; Y103-Y164 AromaticContact CD2-CD2 3.63Å; Y103-Y164 HydrophobicContact CD2-CD2 3.63Å; Y103-Y164 HydrophobicContact CD2-CE2 4.07Å; Y103-Y164 AromaticContact CD2-CG 3.67Å; Y103-Y164 HydrophobicContact CD2-CG 3.67Å; Y103-Y164 HydrophobicContact CE2-CD2 4.42Å; Y103-Y164 HydrophobicContact CG-CD1 4.41Å; Y103-Y164 HydrophobicContact CG-CG 4.21Å; Y103-Y164 VanDerWaalsContact N-CE1 3.28Å
104T97.2Very high95.8Very high60 Ų6037.3 Ų37.337%0.36820%0.2SC..  trans-148.9160.3179.446.10000107.1P102 M112P102-T104 PolarHBondContact O-N 2.89Å; P102-T104 PolarHBondContact O-OG1 3.25Å; P102-T104 VanDerWaalsContact O-OG1 3.13Å; T104-M112 WeakPolarHBondContact O-CB 3.19Å; T104-M112 PolarHBondContact O-N 2.82Å; T104-M112 WeakPolarHBondContact OG1-CB 3.46Å
105K98.1Very high95.8Very high92 Ų9237.3 Ų37.340%0.420%0.2SC..BIsolated β-bridgetrans-110.8149.1178.9-68.6-176.2169.3-162.10111.3Y103 G109 F110 M112 E161Y103-K105 WeakPolarHBondContact OH-CE 3.42Å; K105-G109 WeakPolarHBondContact CD-O 3.44Å; K105-F110 CarbonylContact C-O 3.45Å; K105-F110 WeakPolarHBondContact CA-O 3.34Å; K105-M112 VanDerWaalsContact O-CE 3.31Å; K105-M112 WeakPolarHBondContact O-CE 3.3Å; K105-E161 IonicContact NZ-OE1 2.66Å; K105-E161 PolarHBondContact NZ-OE1 2.95Å
106T98.6Very high95.8Very high11 Ų1137 Ų377%0.06720%0.199CC..  trans-63.8170.9165.263.80000110.3A70 D108 G109 F110 M112A70-T106 HydrophobicContact CB-CG2 4.07Å; A70-T106 VanDerWaalsContact O-CB 3.27Å; A70-T106 WeakPolarHBondContact O-CB 3.4Å; T106-D108 PolarHBondContact O-N 3.02Å; T106-G109 PolarHBondContact O-N 2.7Å; T106-G109 PolarHBondContact OG1-N 2.93Å; T106-F110 HydrophobicContact CG2-CB 4.32Å; T106-F110 PolarHBondContact N-O 3.29Å; T106-F110 WeakPolarHBondContact OG1-CD2 3.31Å; T106-F110 PolarHBondContact OG1-N 3.28Å; T106-M112 HydrophobicContact CG2-SD 4.45Å
107E98.2Very high95.9Very high144 Ų14436.4 Ų36.467%0.67319%0.194SC*.THydrogen-bonded Turntrans-57-32.8174.3-66.7-172.7172.700111.7A70 S71 G109A70-E107 PolarHBondContact O-N 2.85Å; S71-E107 WeakPolarHBondContact CB-OE2 3.2Å; S71-E107 PolarHBondContact OG-OE2 3.25Å; E107-G109 VanDerWaalsContact C-N 3.32Å
108D98.3Very high96.2Very high64 Ų6435.3 Ų35.334%0.34218%0.182SC..THydrogen-bonded Turntrans-87.85.6-179.9-45.2-90.1000113.8S71 L72 T106 F110S71-D108 WeakPolarHBondContact CA-OD2 3.43Å; L72-D108 WeakPolarHBondContact CB-OD1 3.5Å; L72-D108 HydrophobicContact CD1-CB 4.29Å; L72-D108 HydrophobicContact CG-CB 4.19Å; L72-D108 VanDerWaalsContact CG-CG 3.49Å; L72-D108 WeakPolarHBondContact CG-OD2 3.38Å; L72-D108 PolarHBondContact N-OD2 2.92Å; T106-D108 PolarHBondContact O-N 3.02Å; D108-F110 HydrophobicContact CB-CD2 3.97Å; D108-F110 HydrophobicContact CB-CE2 3.49Å; D108-F110 VanDerWaalsContact CB-CE2 3.49Å; D108-F110 HydrophobicContact CB-CZ 4.09Å
109G97.9Very high96.4Very high28 Ų2834.3 Ų34.329%0.28918%0.176SC..SBendtrans87.68.7172.500000116.6K105 T106 E107K105-G109 WeakPolarHBondContact CD-O 3.44Å; T106-G109 PolarHBondContact O-N 2.7Å; T106-G109 PolarHBondContact OG1-N 2.93Å; E107-G109 VanDerWaalsContact C-N 3.32Å
110F98.5Very high96.8Very high22 Ų2232.2 Ų32.210%0.09617%0.168CC..  trans-84.7153.6177.2-49-53.8000112.1L72 K105 T106 D108 M112 L119 N159 M284L72-F110 HydrophobicContact CD1-CE2 3.85Å; L72-F110 HydrophobicContact CD1-CZ 4.32Å; L72-F110 HydrophobicContact CD2-CE2 4.5Å; L72-F110 HydrophobicContact CG-CE2 4.23Å; K105-F110 CarbonylContact C-O 3.45Å; K105-F110 WeakPolarHBondContact CA-O 3.34Å; T106-F110 HydrophobicContact CG2-CB 4.32Å; T106-F110 PolarHBondContact N-O 3.29Å; T106-F110 WeakPolarHBondContact OG1-CD2 3.31Å; T106-F110 PolarHBondContact OG1-N 3.28Å; D108-F110 HydrophobicContact CB-CD2 3.97Å; D108-F110 HydrophobicContact CB-CE2 3.49Å; D108-F110 VanDerWaalsContact CB-CE2 3.49Å; D108-F110 HydrophobicContact CB-CZ 4.09Å; F110-M112 PolarHBondContact O-N 3.48Å; F110-L119 HydrophobicContact CB-CD1 4Å; F110-L119 HydrophobicContact CD1-CD1 3.83Å; F110-L119 HydrophobicContact CD2-CD1 3.65Å; F110-L119 HydrophobicContact CE1-CD1 4.25Å; F110-L119 HydrophobicContact CE2-CD1 4.09Å; F110-L119 HydrophobicContact CG-CD1 3.52Å; F110-L119 HydrophobicContact CZ-CD1 4.39Å; F110-N159 VanDerWaalsContact CA-OD1 3.3Å; F110-N159 WeakPolarHBondContact CA-OD1 3.33Å; F110-M284 HydrophobicContact CD1-CE 3.43Å; F110-M284 VanDerWaalsContact CD1-CE 3.43Å; F110-M284 HydrophobicContact CE1-CB 4.13Å; F110-M284 HydrophobicContact CE1-CE 3.61Å; F110-M284 HydrophobicContact CG-CE 4.37Å; F110-M284 HydrophobicContact CZ-CB 4.29Å; F110-M284 VanDerWaalsContact CZ-O 3.23Å; F110-M284 WeakPolarHBondContact CZ-O 3.31Å
111E98.3Very high97.3Very high1 Ų130.4 Ų30.41%0.00516%0.16CC..BIsolated β-bridgetrans-54.3132.7169.2-169.2-79.7134.700110.8Y103 Q113 F114 G115 N159 Y164Y103-E111 HydrophobicContact CD2-CG 4.41Å; Y103-E111 HydrophobicContact CE2-CG 4.29Å; E111-Q113 PolarHBondContact O-N 3.35Å; E111-Q113 WeakPolarHBondContact OE1-CG 3.28Å; E111-Q113 PolarHBondContact OE1-N 2.92Å; E111-Q113 WeakPolarHBondContact OE2-CA 3.39Å; E111-Q113 WeakPolarHBondContact OE2-CB 3.37Å; E111-Q113 PolarHBondContact OE2-N 3.37Å; E111-F114 HydrophobicContact CB-CB 4.37Å; E111-F114 PolarHBondContact O-N 3.45Å; E111-F114 PolarHBondContact OE2-N 3.37Å; E111-G115 WeakPolarHBondContact O-CA 3.25Å; E111-G115 PolarHBondContact O-N 3.45Å; E111-N159 HydrophobicContact CB-CB 4.46Å; E111-N159 WeakPolarHBondContact CB-O 3.16Å; E111-N159 PolarHBondContact N-OD1 2.9Å; E111-Y164 HydrophobicContact CG-CD2 4.22Å; E111-Y164 HydrophobicContact CG-CE2 3.65Å; E111-Y164 WeakPolarHBondContact OE1-CE2 3.25Å; E111-Y164 PolarHBondContact OE1-OH 3.39Å
112M98.3Very high98Very high33 Ų3330.2 Ų30.216%0.16316%0.158CC..Hα-helixtrans-55-43.9-169.5-176.360.463.900114.7A70 V98 T104 K105 T106 F110 V116A70-M112 HydrophobicContact CB-SD 4.19Å; V98-M112 HydrophobicContact CG2-CG 4.27Å; T104-M112 WeakPolarHBondContact O-CB 3.19Å; T104-M112 PolarHBondContact O-N 2.82Å; T104-M112 WeakPolarHBondContact OG1-CB 3.46Å; K105-M112 VanDerWaalsContact O-CE 3.31Å; K105-M112 WeakPolarHBondContact O-CE 3.3Å; T106-M112 HydrophobicContact CG2-SD 4.45Å; F110-M112 PolarHBondContact O-N 3.48Å; M112-V116 VanDerWaalsContact O-CB 3.3Å; M112-V116 WeakPolarHBondContact O-CB 3.41Å; M112-V116 WeakPolarHBondContact O-CG2 3.44Å; M112-V116 PolarHBondContact O-N 3.36Å; M112-V116 HydrophobicContact SD-CG2 3.75Å
113Q98Very high98.3Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-72.7-43.3-179-54.8-168.279.100111.9V98 C101 E111 N117 Y164 K166V98-Q113 HydrophobicContact CG2-CB 4.37Å; V98-Q113 HydrophobicContact CG2-CG 4.1Å; C101-Q113 WeakPolarHBondContact SG-CG 3.3Å; E111-Q113 PolarHBondContact O-N 3.35Å; E111-Q113 WeakPolarHBondContact OE1-CG 3.28Å; E111-Q113 PolarHBondContact OE1-N 2.92Å; E111-Q113 WeakPolarHBondContact OE2-CA 3.39Å; E111-Q113 WeakPolarHBondContact OE2-CB 3.37Å; E111-Q113 PolarHBondContact OE2-N 3.37Å; Q113-N117 WeakPolarHBondContact O-CB 3.31Å; Q113-N117 PolarHBondContact O-N 3.29Å; Q113-N117 PolarHBondContact O-ND2 2.91Å; Q113-Y164 PolarHBondContact NE2-OH 3.26Å; Q113-K166 PolarHBondContact NE2-O 3.15Å
114F98.5Very high98.5Very high1 Ų122.8 Ų22.80%0.00412%0.121CC..Hα-helixtrans-65.4-46.4175.6-174.5-120.4000111.7E111 H118 L119 L158 A176 L277 M284E111-F114 HydrophobicContact CB-CB 4.37Å; E111-F114 PolarHBondContact O-N 3.45Å; E111-F114 PolarHBondContact OE2-N 3.37Å; F114-H118 HydrophobicContact CD2-CB 4.12Å; F114-H118 HydrophobicContact CE2-CB 4.14Å; F114-H118 AromaticContact CE2-CD2 3.38Å; F114-H118 WeakPolarHBondContact CE2-CD2 3.48Å; F114-H118 AromaticContact CE2-CG 3.95Å; F114-H118 AromaticContact CZ-CD2 3.62Å; F114-H118 WeakPolarHBondContact O-CA 3.34Å; F114-H118 WeakPolarHBondContact O-CB 3.45Å; F114-H118 PolarHBondContact O-N 2.86Å; F114-L119 HydrophobicContact CD1-CD1 3.79Å; F114-L119 HydrophobicContact CD1-CG 4.09Å; F114-L119 HydrophobicContact CE1-CD1 3.67Å; F114-L119 HydrophobicContact CE1-CD2 3.99Å; F114-L119 HydrophobicContact CE1-CG 3.81Å; F114-L119 HydrophobicContact CZ-CD2 4.13Å; F114-L119 HydrophobicContact CZ-CG 4.24Å; F114-L119 PolarHBondContact O-N 2.98Å; F114-L119 VanDerWaalsContact O-N 3.08Å; F114-L158 HydrophobicContact CE1-CB 4.16Å; F114-L158 HydrophobicContact CZ-CD2 4.36Å; F114-A176 HydrophobicContact CE2-CB 4.1Å; F114-L277 HydrophobicContact CE2-CD1 4.47Å; F114-L277 HydrophobicContact CZ-CD1 4.19Å; F114-M284 HydrophobicContact CE1-CE 4.01Å; F114-M284 HydrophobicContact CE1-SD 4.11Å
115G98.6Very high98.5Very high1 Ų120 Ų201%0.0110%0.104CC..Iπ-helixtrans-58.2-53.6177.400000112.5E111 L119 G120E111-G115 WeakPolarHBondContact O-CA 3.25Å; E111-G115 PolarHBondContact O-N 3.45Å; G115-L119 PolarHBondContact O-N 2.65Å; G115-G120 PolarHBondContact O-N 3.28Å
116V98.6Very high98.6Very high12 Ų1218.7 Ų18.77%0.07310%0.099CC..Iπ-helixtrans-74.7-47.3-178.1170.70000112.5L69 A70 V98 M112 H121L69-V116 HydrophobicContact CB-CG1 4.09Å; A70-V116 HydrophobicContact CB-CG2 3.73Å; V98-V116 HydrophobicContact CG1-CG1 4.25Å; V98-V116 HydrophobicContact CG2-CB 3.99Å; V98-V116 HydrophobicContact CG2-CG1 4.15Å; V98-V116 HydrophobicContact CG2-CG2 4.45Å; M112-V116 VanDerWaalsContact O-CB 3.3Å; M112-V116 WeakPolarHBondContact O-CB 3.41Å; M112-V116 WeakPolarHBondContact O-CG2 3.44Å; M112-V116 PolarHBondContact O-N 3.36Å; M112-V116 HydrophobicContact SD-CG2 3.75Å; V116-H121 PolarHBondContact O-ND1 3.15Å
117N98.6Very high98.6Very high0 Ų020.5 Ų20.50%011%0.108CC..Iπ-helixtrans-77.1-30.3-169.8-58.5-17.2000112.1G97 V98 Q113 H121 S173 N177G97-N117 WeakPolarHBondContact CA-OD1 3.46Å; V98-N117 PolarHBondContact N-OD1 3.46Å; V98-N117 PolarHBondContact O-ND2 3.21Å; V98-N117 PolarHBondContact O-OD1 3.36Å; Q113-N117 WeakPolarHBondContact O-CB 3.31Å; Q113-N117 PolarHBondContact O-N 3.29Å; Q113-N117 PolarHBondContact O-ND2 2.91Å; N117-H121 PolarHBondContact O-ND1 3.24Å; N117-S173 PolarHBondContact ND2-OG 3.43Å; N117-N177 PolarHBondContact O-ND2 3.08Å; N117-N177 PolarHBondContact O-OD1 3.43Å; N117-N177 VanDerWaalsContact O-OD1 3.05Å
118H98.8Very high98.6Very high3 Ų313.7 Ų13.71%0.0148%0.076CC..Iπ-helixtrans-116.2-67.3-176.2177.270.5000112.5F114 G120 H121 F122 A176 S281F114-H118 HydrophobicContact CD2-CB 4.12Å; F114-H118 HydrophobicContact CE2-CB 4.14Å; F114-H118 AromaticContact CE2-CD2 3.38Å; F114-H118 WeakPolarHBondContact CE2-CD2 3.48Å; F114-H118 AromaticContact CE2-CG 3.95Å; F114-H118 AromaticContact CZ-CD2 3.62Å; F114-H118 WeakPolarHBondContact O-CA 3.34Å; F114-H118 WeakPolarHBondContact O-CB 3.45Å; F114-H118 PolarHBondContact O-N 2.86Å; H118-G120 PolarHBondContact O-N 2.92Å; H118-H121 CarbonylContact O-C 3.58Å; H118-H121 PolarHBondContact O-N 3.45Å; H118-H121 VanDerWaalsContact O-N 3.13Å; H118-F122 WeakPolarHBondContact O-CB 3.32Å; H118-F122 PolarHBondContact O-N 2.63Å; H118-A176 HydrophobicContact CB-CB 4.13Å; H118-S281 PolarHBondContact NE2-OG 2.97Å
119L98.9Very high98.6Very high0 Ų011.7 Ų11.70%07%0.065CC..Iπ-helixtrans-63-41.7-168.8-64.7174.8000114F110 F114 G115 H121 F122 L123 M284 V285F110-L119 HydrophobicContact CB-CD1 4Å; F110-L119 HydrophobicContact CD1-CD1 3.83Å; F110-L119 HydrophobicContact CD2-CD1 3.65Å; F110-L119 HydrophobicContact CE1-CD1 4.25Å; F110-L119 HydrophobicContact CE2-CD1 4.09Å; F110-L119 HydrophobicContact CG-CD1 3.52Å; F110-L119 HydrophobicContact CZ-CD1 4.39Å; F114-L119 HydrophobicContact CD1-CD1 3.79Å; F114-L119 HydrophobicContact CD1-CG 4.09Å; F114-L119 HydrophobicContact CE1-CD1 3.67Å; F114-L119 HydrophobicContact CE1-CD2 3.99Å; F114-L119 HydrophobicContact CE1-CG 3.81Å; F114-L119 HydrophobicContact CZ-CD2 4.13Å; F114-L119 HydrophobicContact CZ-CG 4.24Å; F114-L119 PolarHBondContact O-N 2.98Å; F114-L119 VanDerWaalsContact O-N 3.08Å; G115-L119 PolarHBondContact O-N 2.65Å; L119-H121 VanDerWaalsContact C-N 3.33Å; L119-H121 PolarHBondContact O-N 2.92Å; L119-F122 WeakPolarHBondContact O-CB 3.23Å; L119-F122 PolarHBondContact O-N 2.8Å; L119-L123 PolarHBondContact O-N 3.48Å; L119-M284 HydrophobicContact CD1-CB 4.49Å; L119-M284 HydrophobicContact CD1-CE 3.68Å; L119-M284 HydrophobicContact CD1-SD 4.28Å; L119-M284 HydrophobicContact CD2-CB 4.31Å; L119-M284 HydrophobicContact CD2-SD 4.3Å; L119-V285 HydrophobicContact CB-CG1 3.95Å; L119-V285 HydrophobicContact CD2-CG1 4.18Å
120G98.8Very high98.6Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-62.3-41.1176.100000112L69 G115 H118 L124L69-G120 VanDerWaalsContact CD2-C 3.45Å; G115-G120 PolarHBondContact O-N 3.28Å; H118-G120 PolarHBondContact O-N 2.92Å; G120-L124 VanDerWaalsContact O-CB 3.27Å; G120-L124 WeakPolarHBondContact O-CB 3.37Å; G120-L124 PolarHBondContact O-N 3.14Å
121H98.9Very high98.6Very high4 Ų414.2 Ų14.22%0.0197%0.073CC..Hα-helixtrans-71.6-34.4174.9-73.4118.2000112.7T13 L69 N94 A96 V116 N117 H118 L119 L124 T125T13-H121 PolarHBondContact OG1-NE2 3.27Å; L69-H121 VanDerWaalsContact CD1-CE1 3.45Å; L69-H121 WeakPolarHBondContact CD1-CE1 3.36Å; L69-H121 VanDerWaalsContact CD1-NE2 3.34Å; L69-H121 WeakPolarHBondContact CD1-NE2 3.37Å; N94-H121 HydrophobicContact CB-CB 4.25Å; N94-H121 VanDerWaalsContact CB-CD2 3.48Å; N94-H121 WeakPolarHBondContact CB-CD2 3.48Å; N94-H121 PolarHBondContact OD1-CD2 2.8Å; A96-H121 PolarHBondContact O-CE1 3.22Å; V116-H121 PolarHBondContact O-ND1 3.15Å; N117-H121 PolarHBondContact O-ND1 3.24Å; H118-H121 CarbonylContact O-C 3.58Å; H118-H121 PolarHBondContact O-N 3.45Å; H118-H121 VanDerWaalsContact O-N 3.13Å; L119-H121 VanDerWaalsContact C-N 3.33Å; L119-H121 PolarHBondContact O-N 2.92Å; H121-L124 PolarHBondContact O-N 2.86Å; H121-T125 VanDerWaalsContact O-CB 3.3Å; H121-T125 WeakPolarHBondContact O-CB 3.48Å; H121-T125 PolarHBondContact O-N 2.89Å; H121-T125 PolarHBondContact O-OG1 3.4Å
122F98.9Very high98.6Very high3 Ų314.2 Ų14.21%0.0137%0.073CC..Hα-helixtrans-58.8-53.5174.8-178.6-86.2000109.8H118 L119 T125 H126 F180 W278 E282 V285 I287H118-F122 WeakPolarHBondContact O-CB 3.32Å; H118-F122 PolarHBondContact O-N 2.63Å; L119-F122 WeakPolarHBondContact O-CB 3.23Å; L119-F122 PolarHBondContact O-N 2.8Å; F122-T125 PolarHBondContact O-N 2.96Å; F122-H126 WeakPolarHBondContact O-CB 3.32Å; F122-H126 PolarHBondContact O-N 3.45Å; F122-F180 AromaticContact CD2-CD2 3.52Å; F122-F180 HydrophobicContact CD2-CD2 3.52Å; F122-F180 AromaticContact CD2-CE2 3.46Å; F122-F180 HydrophobicContact CD2-CE2 3.46Å; F122-F180 VanDerWaalsContact CD2-CE2 3.46Å; F122-F180 AromaticContact CE2-CD2 3.96Å; F122-F180 HydrophobicContact CE2-CD2 3.96Å; F122-F180 AromaticContact CE2-CE2 3.92Å; F122-F180 HydrophobicContact CE2-CE2 3.92Å; F122-F180 HydrophobicContact CG-CE2 4.32Å; F122-W278 AromaticContact CE2-CD2 3.7Å; F122-W278 HydrophobicContact CE2-CD2 3.7Å; F122-W278 AromaticContact CE2-CE2 3.98Å; F122-W278 AromaticContact CE2-CE3 3.78Å; F122-W278 HydrophobicContact CE2-CE3 3.78Å; F122-W278 HydrophobicContact CE2-CG 4.12Å; F122-W278 HydrophobicContact CE2-CH2 4.42Å; F122-W278 HydrophobicContact CE2-CZ2 4.34Å; F122-W278 HydrophobicContact CE2-CZ3 4.15Å; F122-W278 AromaticContact CZ-CD2 3.97Å; F122-W278 HydrophobicContact CZ-CD2 3.97Å; F122-W278 AromaticContact CZ-CE2 3.86Å; F122-W278 HydrophobicContact CZ-CE3 4.48Å; F122-W278 HydrophobicContact CZ-CG 4.19Å; F122-W278 HydrophobicContact CZ-CZ2 4.3Å; F122-W278 AromaticContact CZ-NE1 3.98Å; F122-E282 HydrophobicContact CE1-CG 3.82Å; F122-E282 HydrophobicContact CZ-CG 3.66Å; F122-V285 HydrophobicContact CD1-CG2 3.75Å; F122-V285 HydrophobicContact CE1-CG2 3.98Å; F122-I287 HydrophobicContact CD1-CD1 4.5Å; F122-I287 HydrophobicContact CE1-CD1 4.22Å
123L98.9Very high98.6Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-60.6-47.9176.3178.862.8000111.7L72 V75 R76 L119 T125 H126 L127 V285 I287L72-L123 HydrophobicContact CB-CD2 3.75Å; L72-L123 HydrophobicContact CD1-CD2 4.46Å; L72-L123 HydrophobicContact CD2-CB 4.42Å; L72-L123 HydrophobicContact CD2-CD2 3.61Å; L72-L123 HydrophobicContact CG-CD2 4.11Å; V75-L123 HydrophobicContact CB-CD2 3.95Å; V75-L123 HydrophobicContact CB-CG 4.42Å; V75-L123 HydrophobicContact CG1-CB 4.12Å; V75-L123 HydrophobicContact CG1-CD2 3.85Å; V75-L123 HydrophobicContact CG1-CG 3.76Å; R76-L123 HydrophobicContact CG-CD2 4.24Å; L119-L123 PolarHBondContact O-N 3.48Å; L123-T125 VanDerWaalsContact C-N 3.31Å; L123-T125 PolarHBondContact O-N 3.06Å; L123-H126 PolarHBondContact O-N 2.89Å; L123-L127 HydrophobicContact CD1-CD1 3.68Å; L123-L127 HydrophobicContact CD1-CD2 4.27Å; L123-L127 HydrophobicContact CD1-CG 3.79Å; L123-L127 HydrophobicContact CD2-CD1 4.47Å; L123-L127 HydrophobicContact CG-CD1 3.81Å; L123-L127 HydrophobicContact CG-CG 4.27Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.44Å; L123-V285 HydrophobicContact CB-CB 4.12Å; L123-V285 HydrophobicContact CB-CG1 4.23Å; L123-V285 HydrophobicContact CB-CG2 4.23Å; L123-V285 HydrophobicContact CD1-CB 4.35Å; L123-V285 HydrophobicContact CD1-CG2 4.23Å; L123-I287 HydrophobicContact CD1-CD1 3.53Å; L123-I287 HydrophobicContact CD1-CG1 3.73Å
124L98.9Very high98.6Very high0 Ų023.9 Ų23.90%011%0.11CC..Hα-helixtrans-54.1-48177.9176.267000111.8T13 L67 V75 F78 L92 G120 H121 L128T13-L124 HydrophobicContact CG2-CD2 3.49Å; T13-L124 VanDerWaalsContact CG2-CD2 3.49Å; L67-L124 HydrophobicContact CD2-CD1 4.46Å; L67-L124 HydrophobicContact CD2-CD2 4.05Å; V75-L124 HydrophobicContact CG1-CB 3.89Å; V75-L124 HydrophobicContact CG1-CD1 4.45Å; F78-L124 HydrophobicContact CD1-CD1 3.62Å; F78-L124 HydrophobicContact CE1-CD1 3.66Å; L92-L124 HydrophobicContact CD1-CD2 4.14Å; L92-L124 HydrophobicContact CD1-CG 4.5Å; G120-L124 VanDerWaalsContact O-CB 3.27Å; G120-L124 WeakPolarHBondContact O-CB 3.37Å; G120-L124 PolarHBondContact O-N 3.14Å; H121-L124 PolarHBondContact O-N 2.86Å; L124-L128 HydrophobicContact CD1-CD1 3.68Å; L124-L128 HydrophobicContact CD1-CG 4.37Å; L124-L128 HydrophobicContact CG-CD1 4.21Å; L124-L128 WeakPolarHBondContact O-CB 3.2Å; L124-L128 WeakPolarHBondContact O-CG 3.3Å; L124-L128 PolarHBondContact O-N 3.15Å; L124-L128 VanDerWaalsContact O-N 3.15Å
125T98.8Very high98.6Very high1 Ų124 Ų241%0.00611%0.111CC..Hα-helixtrans-66.7-41.5-178.5-54.40000110.9L92 N94 H121 F122 L123 M129 I140 F180 L184L92-T125 HydrophobicContact CD2-CG2 4.24Å; N94-T125 PolarHBondContact ND2-OG1 2.96Å; H121-T125 VanDerWaalsContact O-CB 3.3Å; H121-T125 WeakPolarHBondContact O-CB 3.48Å; H121-T125 PolarHBondContact O-N 2.89Å; H121-T125 PolarHBondContact O-OG1 3.4Å; F122-T125 PolarHBondContact O-N 2.96Å; L123-T125 VanDerWaalsContact C-N 3.31Å; L123-T125 PolarHBondContact O-N 3.06Å; T125-M129 HydrophobicContact CG2-CE 3.94Å; T125-M129 PolarHBondContact O-N 3.22Å; T125-I140 HydrophobicContact CG2-CD1 3.82Å; T125-I140 HydrophobicContact CG2-CG2 4.21Å; T125-F180 HydrophobicContact CG2-CZ 3.92Å; T125-L184 HydrophobicContact CG2-CD1 4.49Å; T125-L184 HydrophobicContact CG2-CD2 3.98Å
126H98.5Very high98.5Very high65 Ų6526 Ų2630%0.30113%0.128SC..Hα-helixtrans-63.7-45.9178.7-167.3106.8000111.7F122 L123 L128 M129 E282 I287F122-H126 WeakPolarHBondContact O-CB 3.32Å; F122-H126 PolarHBondContact O-N 3.45Å; L123-H126 PolarHBondContact O-N 2.89Å; H126-L128 PolarHBondContact O-N 2.93Å; H126-M129 WeakPolarHBondContact O-CB 3.18Å; H126-M129 PolarHBondContact O-N 2.98Å; H126-E282 IonicContact CE1-OE1 3.48Å; H126-I287 HydrophobicContact CB-CD1 3.7Å; H126-I287 VanDerWaalsContact CE1-CG2 3.48Å; H126-I287 WeakPolarHBondContact CE1-CG2 3.33Å; H126-I287 VanDerWaalsContact NE2-CG2 3.3Å; H126-I287 WeakPolarHBondContact NE2-CG2 3.49Å
127L98.8Very high98.5Very high49 Ų4930.1 Ų30.126%0.25715%0.154SC..Hα-helixtrans-69.7-30.1-178.2-66.3177.4000113.3R76 C79 L123 M129R76-L127 HydrophobicContact CB-CD1 4.43Å; R76-L127 HydrophobicContact CG-CD1 3.8Å; C79-L127 HydrophobicContact CB-CB 3.81Å; C79-L127 HydrophobicContact CB-CD1 4.04Å; L123-L127 HydrophobicContact CD1-CD1 3.68Å; L123-L127 HydrophobicContact CD1-CD2 4.27Å; L123-L127 HydrophobicContact CD1-CG 3.79Å; L123-L127 HydrophobicContact CD2-CD1 4.47Å; L123-L127 HydrophobicContact CG-CD1 3.81Å; L123-L127 HydrophobicContact CG-CG 4.27Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.44Å; L127-M129 VanDerWaalsContact C-N 3.3Å
128L98.8Very high98.5Very high0 Ų030.3 Ų30.30%016%0.155CC..THydrogen-bonded Turntrans-88.12.7176.9-64.4178.1000113.5I11 F78 C79 I82 I83 L89 L92 L124 H126 D130 L131 L132I11-L128 HydrophobicContact CD1-CD1 4Å; F78-L128 HydrophobicContact CE1-CD1 4.36Å; C79-L128 HydrophobicContact CB-CD2 4.11Å; I82-L128 HydrophobicContact CB-CD2 4.13Å; I82-L128 HydrophobicContact CG2-CD2 3.74Å; I83-L128 HydrophobicContact CG1-CD2 4.19Å; L89-L128 HydrophobicContact CD2-CB 4.17Å; L89-L128 HydrophobicContact CD2-CD1 3.97Å; L92-L128 HydrophobicContact CD1-CD1 4.38Å; L124-L128 HydrophobicContact CD1-CD1 3.68Å; L124-L128 HydrophobicContact CD1-CG 4.37Å; L124-L128 HydrophobicContact CG-CD1 4.21Å; L124-L128 WeakPolarHBondContact O-CB 3.2Å; L124-L128 WeakPolarHBondContact O-CG 3.3Å; L124-L128 PolarHBondContact O-N 3.15Å; L124-L128 VanDerWaalsContact O-N 3.15Å; H126-L128 PolarHBondContact O-N 2.93Å; L128-D130 PolarHBondContact O-N 3.3Å; L128-L131 PolarHBondContact O-N 3.43Å; L128-L132 HydrophobicContact CB-CD1 4.45Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 2.83Å
129M98.3Very high98.5Very high22 Ų2231.6 Ų31.611%0.10816%0.16CC..Hα-helixtrans-60.6-46.2-170.5-171.652.966.400113.2T125 H126 L127 L131 L132 K133 I140 L184 L188T125-M129 HydrophobicContact CG2-CE 3.94Å; T125-M129 PolarHBondContact O-N 3.22Å; H126-M129 WeakPolarHBondContact O-CB 3.18Å; H126-M129 PolarHBondContact O-N 2.98Å; L127-M129 VanDerWaalsContact C-N 3.3Å; M129-L131 VanDerWaalsContact C-N 3.31Å; M129-L131 PolarHBondContact O-N 3.32Å; M129-L132 WeakPolarHBondContact O-CB 3.38Å; M129-L132 PolarHBondContact O-N 3.05Å; M129-K133 HydrophobicContact CG-CD 4.27Å; M129-K133 WeakPolarHBondContact O-CG 3.34Å; M129-K133 PolarHBondContact O-N 2.93Å; M129-I140 HydrophobicContact CE-CD1 4.09Å; M129-L184 HydrophobicContact CE-CD1 3.68Å; M129-L188 HydrophobicContact CE-CD2 4.07Å; M129-L188 HydrophobicContact SD-CD2 3.46Å; M129-L188 WeakPolarHBondContact SD-CD2 3.5Å
130D98.1Very high98.5Very high102 Ų10231.6 Ų31.655%0.54516%0.16SC..Hα-helixtrans-66.4-35.3-179.4-72-17.4000112L128 K133 R134L128-D130 PolarHBondContact O-N 3.3Å; D130-K133 PolarHBondContact O-N 2.71Å; D130-R134 WeakPolarHBondContact O-CB 3.35Å; D130-R134 VanDerWaalsContact O-CG 3.31Å; D130-R134 WeakPolarHBondContact O-CG 3.34Å; D130-R134 PolarHBondContact O-N 2.92Å
131L98.6Very high98.5Very high2 Ų231.7 Ų31.71%0.0116%0.161CC..Hα-helixtrans-66.8-41175.3-175.963.7000111.2I82 E86 L89 L128 M129 R134 S135I82-L131 HydrophobicContact CG2-CD2 3.88Å; E86-L131 HydrophobicContact CB-CD2 4.45Å; L89-L131 HydrophobicContact CB-CD2 3.69Å; L89-L131 HydrophobicContact CB-CG 3.77Å; L89-L131 HydrophobicContact CD2-CD2 4.38Å; L128-L131 PolarHBondContact O-N 3.43Å; M129-L131 VanDerWaalsContact C-N 3.31Å; M129-L131 PolarHBondContact O-N 3.32Å; L131-R134 PolarHBondContact O-N 3.36Å; L131-S135 WeakPolarHBondContact O-CB 3.19Å; L131-S135 PolarHBondContact O-N 3.46Å; L131-S135 VanDerWaalsContact O-N 3.11Å; L131-S135 PolarHBondContact O-OG 2.85Å
132L98.8Very high98.5Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-61.5-45173.7-74159.6000111.5L89 L92 L128 M129 S135 A136 S138 I140 V193L89-L132 HydrophobicContact CB-CD2 4.5Å; L89-L132 HydrophobicContact CD2-CD2 3.96Å; L89-L132 HydrophobicContact CD2-CG 4.01Å; L89-L132 HydrophobicContact CG-CD2 3.84Å; L89-L132 HydrophobicContact CG-CG 4.34Å; L92-L132 HydrophobicContact CB-CD1 4.39Å; L92-L132 HydrophobicContact CB-CD2 4.31Å; L92-L132 HydrophobicContact CD2-CD1 4.29Å; L128-L132 HydrophobicContact CB-CD1 4.45Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 2.83Å; M129-L132 WeakPolarHBondContact O-CB 3.38Å; M129-L132 PolarHBondContact O-N 3.05Å; L132-S135 CarbonylContact O-C 3.44Å; L132-S135 PolarHBondContact O-N 2.88Å; L132-S135 VanDerWaalsContact O-N 3.11Å; L132-A136 PolarHBondContact O-N 3.31Å; L132-S138 WeakPolarHBondContact O-CB 3.46Å; L132-S138 PolarHBondContact O-OG 3.36Å; L132-I140 HydrophobicContact CD1-CD1 3.92Å; L132-I140 HydrophobicContact CD1-CG1 3.89Å; L132-V193 HydrophobicContact CB-CG1 4.35Å; L132-V193 HydrophobicContact CB-CG2 4.39Å
133K98.6Very high98.5Very high88 Ų8831.9 Ų31.938%0.38316%0.163SC..Hα-helixtrans-63-44.3177.4-72.5174.4179.1173.10112.4M129 D130 S135 A136 V193M129-K133 HydrophobicContact CG-CD 4.27Å; M129-K133 WeakPolarHBondContact O-CG 3.34Å; M129-K133 PolarHBondContact O-N 2.93Å; D130-K133 PolarHBondContact O-N 2.71Å; K133-S135 PolarHBondContact O-N 2.68Å; K133-A136 VanDerWaalsContact O-CB 3.26Å; K133-A136 WeakPolarHBondContact O-CB 3.3Å; K133-A136 PolarHBondContact O-N 2.84Å; K133-A136 VanDerWaalsContact O-N 3.14Å; K133-V193 HydrophobicContact CB-CG2 4.32Å; K133-V193 HydrophobicContact CG-CG2 3.76Å
134R97.9Very high98.4Very high148 Ų14832 Ų3256%0.55816%0.163SC*.Hα-helixtrans-60.5-26.2173.5-73.5-172-56.3-107.76.1112.9D130 L131D130-R134 WeakPolarHBondContact O-CB 3.35Å; D130-R134 VanDerWaalsContact O-CG 3.31Å; D130-R134 WeakPolarHBondContact O-CG 3.34Å; D130-R134 PolarHBondContact O-N 2.92Å; L131-R134 PolarHBondContact O-N 3.36Å
135S98.2Very high98.1Very high5 Ų532.9 Ų32.94%0.03517%0.169CC..THydrogen-bonded Turntrans-94.79.2-179.2-500000113.5L88 L89 L131 L132 K133 P137L88-S135 VanDerWaalsContact CA-OG 3.32Å; L88-S135 WeakPolarHBondContact CA-OG 3.19Å; L89-S135 PolarHBondContact N-OG 3.48Å; L89-S135 WeakPolarHBondContact O-CB 3.23Å; L89-S135 PolarHBondContact O-OG 2.81Å; L131-S135 WeakPolarHBondContact O-CB 3.19Å; L131-S135 PolarHBondContact O-N 3.46Å; L131-S135 VanDerWaalsContact O-N 3.11Å; L131-S135 PolarHBondContact O-OG 2.85Å; L132-S135 CarbonylContact O-C 3.44Å; L132-S135 PolarHBondContact O-N 2.88Å; L132-S135 VanDerWaalsContact O-N 3.11Å; K133-S135 PolarHBondContact O-N 2.68Å; S135-P137 CarbonylContact O-C 3.57Å
136A96.6Very high97.8Very high43 Ų4337.7 Ų37.736%0.35519%0.19SC..  trans-56.7138.9-177.800000111.7L132 K133L132-A136 PolarHBondContact O-N 3.31Å; K133-A136 VanDerWaalsContact O-CB 3.26Å; K133-A136 WeakPolarHBondContact O-CB 3.3Å; K133-A136 PolarHBondContact O-N 2.84Å; K133-A136 VanDerWaalsContact O-N 3.14Å
137P97.3Very high97.5Very high98 Ų9837.3 Ų37.364%0.63619%0.19SC*.SBendcis-71.91310.529.7-34.6000112.6S135 G192S135-P137 CarbonylContact O-C 3.57Å; P137-G192 WeakPolarHBondContact CA-O 3.46Å
138S98.6Very high97.4Very high3 Ų335 Ų352%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-138.7159.9-179.767.70000111.8H90 L132 G192 V193 T194H90-S138 CarbonylContact O-C 3.57Å; H90-S138 WeakPolarHBondContact O-CA 3.4Å; H90-S138 VanDerWaalsContact O-CB 3.23Å; H90-S138 WeakPolarHBondContact O-CB 3.49Å; L132-S138 WeakPolarHBondContact O-CB 3.46Å; L132-S138 PolarHBondContact O-OG 3.36Å; S138-G192 PolarHBondContact N-O 3.28Å; S138-V193 WeakPolarHBondContact O-CA 3.45Å; S138-V193 WeakPolarHBondContact OG-CG2 3.34Å; S138-T194 PolarHBondContact O-N 3.32Å
139R98.8Very high97.1Very high30 Ų3039.7 Ų39.711%0.11320%0.198CC..EExtended strand (participates in β ladder)trans-132.3138.5-168.6-51.9-174.8-174.8176.22112.6H90 V91 L92 T194 L242 S245 D249H90-R139 PolarHBondContact O-N 2.99Å; V91-R139 CarbonylContact C-O 3.42Å; V91-R139 VanDerWaalsContact CA-O 3.22Å; V91-R139 WeakPolarHBondContact CA-O 3.27Å; V91-R139 HydrophobicContact CG1-CB 4.44Å; V91-R139 HydrophobicContact CG2-CB 4.36Å; L92-R139 PolarHBondContact N-O 3.32Å; R139-T194 CarbonylContact C-O 3.46Å; R139-T194 WeakPolarHBondContact CA-O 3.41Å; R139-L242 WeakPolarHBondContact CD-O 3.48Å; R139-L242 PolarHBondContact NH1-O 3.26Å; R139-S245 VanDerWaalsContact CZ-O 3.3Å; R139-S245 PolarHBondContact NH1-O 3.28Å; R139-S245 PolarHBondContact NH2-O 3.47Å; R139-D249 IonicContact CZ-OD1 3.25Å; R139-D249 IonicContact NE-OD1 3.53Å; R139-D249 IonicContact NH2-OD1 2.66Å; R139-D249 PolarHBondContact NH2-OD1 3.44Å
140I98.9Very high96.9Very high1 Ų144.4 Ų44.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-112.9124171.8-56.8164.2000107.5L92 T125 M129 L132 V142 L184 L188 V193 T194 A195 N196L92-I140 WeakPolarHBondContact O-CA 3.49Å; T125-I140 HydrophobicContact CG2-CD1 3.82Å; T125-I140 HydrophobicContact CG2-CG2 4.21Å; M129-I140 HydrophobicContact CE-CD1 4.09Å; L132-I140 HydrophobicContact CD1-CD1 3.92Å; L132-I140 HydrophobicContact CD1-CG1 3.89Å; I140-V142 HydrophobicContact CG2-CG2 4.23Å; I140-L184 HydrophobicContact CB-CD2 4.43Å; I140-L184 HydrophobicContact CD1-CD2 3.81Å; I140-L184 HydrophobicContact CD1-CG 4.49Å; I140-L184 HydrophobicContact CG2-CD2 4.05Å; I140-L188 HydrophobicContact CD1-CD1 3.93Å; I140-V193 HydrophobicContact CD1-CG1 3.88Å; I140-V193 HydrophobicContact CG1-CG1 4.14Å; I140-T194 PolarHBondContact N-O 3.03Å; I140-A195 HydrophobicContact CB-CB 4.22Å; I140-A195 WeakPolarHBondContact O-CA 3.39Å; I140-N196 PolarHBondContact O-N 3.2Å
141V98.9Very high96.7Very high2 Ų239.6 Ų39.61%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-118.3118.8-177.8-177.80000109.1V91 L92 I93 N94 N196 L198 L242V91-V141 HydrophobicContact CG1-CG2 4.33Å; L92-V141 PolarHBondContact O-N 3.29Å; I93-V141 CarbonylContact C-O 3.56Å; I93-V141 WeakPolarHBondContact CA-O 3.48Å; I93-V141 HydrophobicContact CG1-CB 4.27Å; I93-V141 HydrophobicContact CG2-CB 4.3Å; I93-V141 HydrophobicContact CG2-CG1 4.37Å; N94-V141 PolarHBondContact N-O 3.2Å; V141-N196 WeakPolarHBondContact CA-O 3.49Å; V141-L198 HydrophobicContact CG1-CD2 3.58Å; V141-L242 HydrophobicContact CG1-CB 4.08Å; V141-L242 HydrophobicContact CG1-CD1 4.03Å; V141-L242 HydrophobicContact CG2-CB 3.82Å
142V98.9Very high96.5Very high2 Ų244.4 Ų44.41%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-109.7120.2-175.8-173.10000111.1N94 I140 S144 N177 F180 N196 A197 L198N94-V142 HydrophobicContact CB-CG2 4.5Å; I140-V142 HydrophobicContact CG2-CG2 4.23Å; V142-S144 PolarHBondContact O-N 3.05Å; V142-N177 HydrophobicContact CG1-CB 3.76Å; V142-F180 HydrophobicContact CG2-CD1 4.2Å; V142-F180 HydrophobicContact CG2-CE1 4.1Å; V142-N196 PolarHBondContact N-O 3.05Å; V142-A197 HydrophobicContact CB-CB 4.47Å; V142-A197 CarbonylContact O-C 3.59Å; V142-A197 WeakPolarHBondContact O-CA 3.25Å; V142-L198 PolarHBondContact O-N 3.29Å
143V98.6Very high96.4Very high9 Ų945 Ų456%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-85.4107.1178.8-176.30000110.5N94 N95 K174 N177 L198 P200N94-V143 PolarHBondContact O-N 3.13Å; N95-V143 HydrophobicContact CB-CG2 3.92Å; V143-K174 PolarHBondContact O-NZ 2.93Å; V143-N177 PolarHBondContact O-ND2 3.28Å; V143-L198 HydrophobicContact CG1-CD1 4.2Å; V143-L198 HydrophobicContact CG2-CD1 4.3Å; V143-L198 HydrophobicContact CG2-CD2 4.29Å; V143-L198 HydrophobicContact CG2-CG 4.3Å; V143-P200 HydrophobicContact CG1-CG 4.31Å
144S97.4Very high96.3Very high1 Ų143.4 Ų43.41%0.00722%0.219CC..  trans-98.4-159.7172.1-170.60000111.1V142 K174 L198 P200V142-S144 PolarHBondContact O-N 3.05Å; S144-K174 PolarHBondContact OG-O 2.94Å; S144-L198 CarbonylContact C-O 3.49Å; S144-L198 WeakPolarHBondContact CA-O 3.49Å; S144-L198 PolarHBondContact N-O 3.35Å; S144-P200 WeakPolarHBondContact O-CD 3.36Å
145S93.6Very high96.2Very high19 Ų1938.9 Ų38.913%0.13320%0.203CC..  trans-155.4147.2177.3174.20000110.4L147 Y148S145-L147 PolarHBondContact O-N 2.82Å; S145-L147 PolarHBondContact OG-N 2.74Å; S145-Y148 WeakPolarHBondContact O-CB 3.47Å; S145-Y148 WeakPolarHBondContact O-CD1 3.49Å; S145-Y148 PolarHBondContact O-N 2.96Å
146K92.1Very high96.1Very high102 Ų10246.8 Ų46.844%0.44324%0.24SC..G310 helixtrans-56.3-17.1171.6-68.5-174.6178.1178.40113.4Y148 K149 T199K146-Y148 PolarHBondContact O-N 3.16Å; K146-K149 VanDerWaalsContact O-CG 3.31Å; K146-K149 WeakPolarHBondContact O-CG 3.46Å; K146-K149 PolarHBondContact O-N 2.75Å; K146-T199 HydrophobicContact CG-CG2 4.35Å
147L92.4Very high96Very high57 Ų5745.4 Ų45.430%0.29823%0.226SC..G310 helixtrans-65.3-14.7172.9-66.5179.1000113.4Y99 S145 K149 H150 Y170 S171Y99-L147 HydrophobicContact CE2-CD1 3.81Å; S145-L147 PolarHBondContact O-N 2.82Å; S145-L147 PolarHBondContact OG-N 2.74Å; L147-K149 PolarHBondContact O-N 3.32Å; L147-H150 PolarHBondContact O-N 2.8Å; L147-Y170 HydrophobicContact CB-CD1 4.23Å; L147-Y170 HydrophobicContact CB-CE1 4.24Å; L147-Y170 HydrophobicContact CD1-CD1 3.88Å; L147-Y170 HydrophobicContact CD1-CE1 3.81Å; L147-S171 WeakPolarHBondContact O-CB 3.13Å; L147-S171 PolarHBondContact O-OG 2.78Å
148Y95.4Very high95.9Very high1 Ų141.4 Ų41.40%0.00420%0.199CC..G310 helixtrans-50-29.2171.984.1-101.2000112.6S145 K146 H150 G151 L175 L178 M262 L264 L265 A268S145-Y148 WeakPolarHBondContact O-CB 3.47Å; S145-Y148 WeakPolarHBondContact O-CD1 3.49Å; S145-Y148 PolarHBondContact O-N 2.96Å; K146-Y148 PolarHBondContact O-N 3.16Å; Y148-H150 PolarHBondContact O-N 3.15Å; Y148-H150 VanDerWaalsContact O-N 3.16Å; Y148-G151 PolarHBondContact O-N 2.91Å; Y148-L175 HydrophobicContact CD2-CD1 4.18Å; Y148-L178 HydrophobicContact CD1-CD1 3.44Å; Y148-L178 VanDerWaalsContact CD1-CD1 3.44Å; Y148-L178 HydrophobicContact CD2-CD1 3.71Å; Y148-L178 HydrophobicContact CE1-CD1 3.8Å; Y148-L178 HydrophobicContact CE2-CD1 4.06Å; Y148-L178 HydrophobicContact CG-CD1 3.42Å; Y148-L178 VanDerWaalsContact CG-CD1 3.42Å; Y148-M262 HydrophobicContact CE1-CE 4.23Å; Y148-L264 HydrophobicContact CE1-CD2 3.9Å; Y148-L264 WeakPolarHBondContact OH-CA 3.09Å; Y148-L264 WeakPolarHBondContact OH-CD2 3.24Å; Y148-L265 HydrophobicContact CE2-CB 4.2Å; Y148-L265 HydrophobicContact CE2-CD1 4.31Å; Y148-L265 HydrophobicContact CE2-CG 4.16Å; Y148-L265 PolarHBondContact OH-N 2.85Å; Y148-A268 HydrophobicContact CD2-CB 3.96Å; Y148-A268 HydrophobicContact CE2-CB 3.74Å
149K93.5Very high95.8Very high98 Ų9842.6 Ų42.643%0.42621%0.206SC..G310 helixtrans-57.6-28.2178.8-64.3-177.7179.5-165.80113K146 L147 L265 K267K146-K149 VanDerWaalsContact O-CG 3.31Å; K146-K149 WeakPolarHBondContact O-CG 3.46Å; K146-K149 PolarHBondContact O-N 2.75Å; L147-K149 PolarHBondContact O-N 3.32Å; K149-L265 HydrophobicContact CB-CD1 3.98Å; K149-L265 HydrophobicContact CD-CD1 4.49Å; K149-L265 HydrophobicContact CG-CD1 3.8Å; K149-L265 HydrophobicContact CG-CG 4.38Å; K149-K267 WeakPolarHBondContact O-CE 3.35Å; K149-K267 PolarHBondContact O-NZ 3.27Å
150H93.6Very high95.6Very high121 Ų12141.4 Ų41.456%0.5620%0.202SC*.G310 helixtrans-96.3-3.4178.2-55.4-67000113.3L147 Y148 F168L147-H150 PolarHBondContact O-N 2.8Å; Y148-H150 PolarHBondContact O-N 3.15Å; Y148-H150 VanDerWaalsContact O-N 3.16Å; H150-F168 HydrophobicContact CB-CE1 4.47Å
151G93.2Very high95.4Very high1 Ų146.8 Ų46.81%0.0123%0.227CC..  trans-86.4157.117900000112Y148 L175 K267Y148-G151 PolarHBondContact O-N 2.91Å; G151-L175 WeakPolarHBondContact O-CD2 3.17Å; G151-K267 PolarHBondContact O-NZ 3.05Å
152D95.2Very high95.1Very high103 Ų10354.2 Ų54.255%0.55126%0.261SS*.  trans-144.6142171.4-168.3-101.1000109.7N154 R172D152-N154 PolarHBondContact O-N 2.99Å; D152-R172 VanDerWaalsContact O-CG 3.26Å; D152-R172 WeakPolarHBondContact O-CG 3.44Å; D152-R172 PolarHBondContact O-NE 3Å
153I97.6Very high94.8Very high13 Ų1361.1 Ų61.17%0.06729%0.292CS..  trans-87.391.7178.3-54.5-56.3000108.6F155 L158 R172 L175 A176 L179 V273 L277I153-F155 HydrophobicContact CB-CE2 4.49Å; I153-F155 HydrophobicContact CG2-CD1 4.04Å; I153-F155 HydrophobicContact CG2-CD2 4.22Å; I153-F155 HydrophobicContact CG2-CE1 3.65Å; I153-F155 HydrophobicContact CG2-CE2 3.85Å; I153-F155 HydrophobicContact CG2-CG 4.32Å; I153-F155 HydrophobicContact CG2-CZ 3.55Å; I153-F155 PolarHBondContact O-N 2.96Å; I153-L158 HydrophobicContact CG2-CD2 3.86Å; I153-R172 HydrophobicContact CD1-CG 4.02Å; I153-L175 HydrophobicContact CD1-CB 4.4Å; I153-L175 HydrophobicContact CD1-CD2 4.09Å; I153-L175 HydrophobicContact CD1-CG 4.09Å; I153-L175 HydrophobicContact CG1-CD2 3.94Å; I153-L175 HydrophobicContact CG1-CG 4.23Å; I153-A176 HydrophobicContact CD1-CB 4.15Å; I153-L179 HydrophobicContact CD1-CD1 4.06Å; I153-L179 HydrophobicContact CG1-CD1 3.55Å; I153-V273 HydrophobicContact CB-CG1 4.14Å; I153-V273 HydrophobicContact CG1-CG1 4.08Å; I153-V273 HydrophobicContact CG2-CG1 4.44Å; I153-L277 HydrophobicContact CD1-CD2 4.31Å; I153-L277 HydrophobicContact CG2-CD1 4.34Å
154N94.9Very high94.6Very high54 Ų5462.9 Ų62.929%0.28930%0.298SS..  trans-82.398.6172.1-175.81000110.1D152 E156 D157 L158D152-N154 PolarHBondContact O-N 2.99Å; N154-E156 PolarHBondContact O-N 3.4Å; N154-E156 WeakPolarHBondContact OD1-CB 3.4Å; N154-E156 PolarHBondContact OD1-N 3.06Å; N154-D157 CarbonylContact O-C 3.5Å; N154-D157 VanDerWaalsContact O-C 3.25Å; N154-D157 PolarHBondContact O-N 2.9Å; N154-D157 PolarHBondContact OD1-N 3.2Å; N154-L158 WeakPolarHBondContact O-CA 3.38Å; N154-L158 WeakPolarHBondContact O-CD2 3.39Å; N154-L158 WeakPolarHBondContact O-CG 3.37Å; N154-L158 PolarHBondContact O-N 2.75Å
155F96.7Very high94.6Very high54 Ų5465.5 Ų65.524%0.23731%0.311CS..THydrogen-bonded Turntrans-66.4-20.8177.5-68.6-69.8000114.1I153 D157 L158 V273 K276 L277 I280I153-F155 HydrophobicContact CB-CE2 4.49Å; I153-F155 HydrophobicContact CG2-CD1 4.04Å; I153-F155 HydrophobicContact CG2-CD2 4.22Å; I153-F155 HydrophobicContact CG2-CE1 3.65Å; I153-F155 HydrophobicContact CG2-CE2 3.85Å; I153-F155 HydrophobicContact CG2-CG 4.32Å; I153-F155 HydrophobicContact CG2-CZ 3.55Å; I153-F155 PolarHBondContact O-N 2.96Å; F155-D157 VanDerWaalsContact C-N 3.34Å; F155-L158 HydrophobicContact CD1-CD1 4.41Å; F155-L158 HydrophobicContact CD1-CD2 4.45Å; F155-V273 HydrophobicContact CE2-CG1 4.05Å; F155-V273 HydrophobicContact CZ-CG1 3.93Å; F155-K276 HydrophobicContact CD1-CD 4.21Å; F155-K276 HydrophobicContact CD1-CG 4.22Å; F155-K276 HydrophobicContact CD2-CD 4Å; F155-K276 HydrophobicContact CE1-CB 4.2Å; F155-K276 HydrophobicContact CE1-CD 4.02Å; F155-K276 HydrophobicContact CE1-CG 3.75Å; F155-K276 HydrophobicContact CE2-CD 3.8Å; F155-K276 HydrophobicContact CE2-CG 4.33Å; F155-K276 HydrophobicContact CG-CD 4.19Å; F155-K276 HydrophobicContact CZ-CB 3.91Å; F155-K276 HydrophobicContact CZ-CD 3.79Å; F155-K276 HydrophobicContact CZ-CG 3.8Å; F155-L277 HydrophobicContact CE1-CB 4.16Å; F155-L277 HydrophobicContact CE1-CD1 4.49Å; F155-L277 HydrophobicContact CZ-CB 4.35Å; F155-I280 HydrophobicContact CD1-CD1 3.46Å; F155-I280 VanDerWaalsContact CD1-CD1 3.46Å; F155-I280 HydrophobicContact CE1-CD1 3.85Å; F155-I280 HydrophobicContact CG-CD1 4.45Å
156E95.5Very high94.6Very high171 Ų17167.8 Ų67.880%0.79932%0.319SS*.THydrogen-bonded Turntrans-79.7-20.5177-57.6-178.7170.300112.2N154N154-E156 PolarHBondContact O-N 3.4Å; N154-E156 WeakPolarHBondContact OD1-CB 3.4Å; N154-E156 PolarHBondContact OD1-N 3.06Å
157D95.6Very high94.5Very high13 Ų1364.5 Ų64.57%0.0731%0.311CS..  trans-150.861.6-179.9-171.319.2000112.2N154 F155 N159 S160 E161 Q162 R172N154-D157 CarbonylContact O-C 3.5Å; N154-D157 VanDerWaalsContact O-C 3.25Å; N154-D157 PolarHBondContact O-N 2.9Å; N154-D157 PolarHBondContact OD1-N 3.2Å; F155-D157 VanDerWaalsContact C-N 3.34Å; D157-N159 PolarHBondContact O-N 2.81Å; D157-S160 PolarHBondContact O-N 3.47Å; D157-S160 VanDerWaalsContact O-N 3.12Å; D157-S160 WeakPolarHBondContact OD1-CA 3.08Å; D157-S160 PolarHBondContact OD1-N 3.01Å; D157-S160 VanDerWaalsContact OD2-CA 3.24Å; D157-S160 WeakPolarHBondContact OD2-CA 3.49Å; D157-E161 VanDerWaalsContact CG-N 3.35Å; D157-E161 PolarHBondContact OD1-N 2.73Å; D157-E161 PolarHBondContact OD2-N 3.16Å; D157-E161 VanDerWaalsContact OD2-N 3.14Å; D157-Q162 HydrophobicContact CB-CG 4.42Å; D157-Q162 WeakPolarHBondContact OD2-CB 3.45Å; D157-Q162 PolarHBondContact OD2-N 3.01Å; D157-R172 PolarHBondContact O-NH1 3.46Å
158L95.3Very high94.6Very high14 Ų1467.1 Ų67.17%0.07332%0.32CS..THydrogen-bonded Turntrans-59-37178.6-74.3172.3000111.6F114 I153 N154 F155 S160 R172 L277 I280 M284F114-L158 HydrophobicContact CE1-CB 4.16Å; F114-L158 HydrophobicContact CZ-CD2 4.36Å; I153-L158 HydrophobicContact CG2-CD2 3.86Å; N154-L158 WeakPolarHBondContact O-CA 3.38Å; N154-L158 WeakPolarHBondContact O-CD2 3.39Å; N154-L158 WeakPolarHBondContact O-CG 3.37Å; N154-L158 PolarHBondContact O-N 2.75Å; F155-L158 HydrophobicContact CD1-CD1 4.41Å; F155-L158 HydrophobicContact CD1-CD2 4.45Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-S160 PolarHBondContact O-N 3.29Å; L158-R172 PolarHBondContact O-NH1 3.11Å; L158-L277 HydrophobicContact CD2-CD1 4.49Å; L158-I280 HydrophobicContact CD1-CG2 3.66Å; L158-M284 HydrophobicContact CD1-SD 4.22Å
159N95.7Very high94.6Very high29 Ų2967.3 Ų67.316%0.15532%0.322CS..THydrogen-bonded Turntrans-83.14.2179.8-76.5-45.5000114.3F110 E111 D157 E161F110-N159 VanDerWaalsContact CA-OD1 3.3Å; F110-N159 WeakPolarHBondContact CA-OD1 3.33Å; E111-N159 HydrophobicContact CB-CB 4.46Å; E111-N159 WeakPolarHBondContact CB-O 3.16Å; E111-N159 PolarHBondContact N-OD1 2.9Å; D157-N159 PolarHBondContact O-N 2.81Å; N159-E161 HydrophobicContact CB-CG 3.75Å; N159-E161 PolarHBondContact O-N 3.1Å; N159-E161 VanDerWaalsContact O-N 3.14Å
160S94.9Very high94.7Very high5 Ų563.2 Ų63.24%0.03530%0.304CS..  trans52.137.2177.3-49.90000113.2D157 L158 F163 R172D157-S160 PolarHBondContact O-N 3.47Å; D157-S160 VanDerWaalsContact O-N 3.12Å; D157-S160 WeakPolarHBondContact OD1-CA 3.08Å; D157-S160 PolarHBondContact OD1-N 3.01Å; D157-S160 VanDerWaalsContact OD2-CA 3.24Å; D157-S160 WeakPolarHBondContact OD2-CA 3.49Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-S160 PolarHBondContact O-N 3.29Å; S160-F163 WeakPolarHBondContact CB-O 3.25Å; S160-R172 PolarHBondContact OG-NH1 3.14Å
161E94.4Very high94.9Very high114 Ų11457.6 Ų57.653%0.53328%0.278SS..SBendtrans-75.3-27.6-179.1-55-164.7135.100111.7K105 D157 N159K105-E161 IonicContact NZ-OE1 2.66Å; K105-E161 PolarHBondContact NZ-OE1 2.95Å; D157-E161 VanDerWaalsContact CG-N 3.35Å; D157-E161 PolarHBondContact OD1-N 2.73Å; D157-E161 PolarHBondContact OD2-N 3.16Å; D157-E161 VanDerWaalsContact OD2-N 3.14Å; N159-E161 HydrophobicContact CB-CG 3.75Å; N159-E161 PolarHBondContact O-N 3.1Å; N159-E161 VanDerWaalsContact O-N 3.14Å
162Q93.5Very high95.1Very high157 Ų15759.1 Ų59.173%0.73428%0.283SS*.SBendtrans-83.5-42.5178.4-56.2-175.738.100111.4D157D157-Q162 HydrophobicContact CB-CG 4.42Å; D157-Q162 WeakPolarHBondContact OD2-CB 3.45Å; D157-Q162 PolarHBondContact OD2-N 3.01Å
163F91.5Very high95.2Very high147 Ų14754.2 Ų54.265%0.64526%0.257SS*.  trans-147.1126.1178.7177.5-96.1000111.5S160 D165S160-F163 WeakPolarHBondContact CB-O 3.25Å; F163-D165 HydrophobicContact CE1-CB 3.79Å; F163-D165 HydrophobicContact CZ-CB 4.23Å
164Y95.8Very high95.3Very high46 Ų4653.8 Ų53.818%0.1826%0.255CS..  trans-115.8113.3177.9-171-109.1000112.6C101 Y103 E111 Q113 K166 A169C101-Y164 WeakPolarHBondContact O-CE1 3.05Å; C101-Y164 PolarHBondContact O-OH 2.96Å; C101-Y164 VanDerWaalsContact O-OH 3.11Å; Y103-Y164 HydrophobicContact CD2-CD1 4.25Å; Y103-Y164 AromaticContact CD2-CD2 3.63Å; Y103-Y164 HydrophobicContact CD2-CD2 3.63Å; Y103-Y164 HydrophobicContact CD2-CE2 4.07Å; Y103-Y164 AromaticContact CD2-CG 3.67Å; Y103-Y164 HydrophobicContact CD2-CG 3.67Å; Y103-Y164 HydrophobicContact CE2-CD2 4.42Å; Y103-Y164 HydrophobicContact CG-CD1 4.41Å; Y103-Y164 HydrophobicContact CG-CG 4.21Å; Y103-Y164 VanDerWaalsContact N-CE1 3.28Å; E111-Y164 HydrophobicContact CG-CD2 4.22Å; E111-Y164 HydrophobicContact CG-CE2 3.65Å; E111-Y164 WeakPolarHBondContact OE1-CE2 3.25Å; E111-Y164 PolarHBondContact OE1-OH 3.39Å; Q113-Y164 PolarHBondContact NE2-OH 3.26Å; Y164-K166 HydrophobicContact CD1-CG 4.39Å; Y164-K166 HydrophobicContact CE1-CG 3.81Å; Y164-A169 HydrophobicContact CD2-CB 4.02Å; Y164-A169 HydrophobicContact CE2-CB 3.37Å
165D95.6Very high95.4Very high56 Ų5651.3 Ų51.330%0.29924%0.242SC..  trans-110.4129.1160178.6-86.7000110.3F163 A167 F168 A169F163-D165 HydrophobicContact CE1-CB 3.79Å; F163-D165 HydrophobicContact CZ-CB 4.23Å; D165-A167 VanDerWaalsContact C-N 3.32Å; D165-A167 PolarHBondContact O-N 2.96Å; D165-A167 WeakPolarHBondContact OD1-CA 3.32Å; D165-A167 WeakPolarHBondContact OD1-CB 3.38Å; D165-A167 PolarHBondContact OD1-N 2.94Å; D165-F168 HydrophobicContact CB-CB 4.11Å; D165-F168 HydrophobicContact CB-CD2 3.71Å; D165-F168 HydrophobicContact CB-CG 4.2Å; D165-F168 PolarHBondContact O-N 3.18Å; D165-F168 PolarHBondContact OD1-N 3.47Å; D165-A169 VanDerWaalsContact O-CB 3.29Å; D165-A169 WeakPolarHBondContact O-CB 3.49Å; D165-A169 PolarHBondContact O-N 3.42Å
166K93.7Very high95.5Very high67 Ų6748.8 Ų48.829%0.29123%0.231SC..Hα-helixtrans-59.3-39.8-175.2-67.1-177.7174.9179.30113Q100 C101 Q113 Y164 Y170Q100-K166 HydrophobicContact CB-CB 4.14Å; Q100-K166 HydrophobicContact CG-CB 4.25Å; C101-K166 WeakPolarHBondContact O-CG 3.34Å; Q113-K166 PolarHBondContact NE2-O 3.15Å; Y164-K166 HydrophobicContact CD1-CG 4.39Å; Y164-K166 HydrophobicContact CE1-CG 3.81Å; K166-Y170 PolarHBondContact O-N 3.26Å
167A90.3Very high95.7Very high33 Ų3340.8 Ų40.827%0.27319%0.193SC..Hα-helixtrans-81.1-38.2-176.800000111.1D165 S171D165-A167 VanDerWaalsContact C-N 3.32Å; D165-A167 PolarHBondContact O-N 2.96Å; D165-A167 WeakPolarHBondContact OD1-CA 3.32Å; D165-A167 WeakPolarHBondContact OD1-CB 3.38Å; D165-A167 PolarHBondContact OD1-N 2.94Å; A167-S171 WeakPolarHBondContact O-CB 3.38Å; A167-S171 PolarHBondContact O-N 3.29Å; A167-S171 PolarHBondContact O-OG 3.39Å
168F94.3Very high95.8Very high113 Ų11340.2 Ų40.250%0.49619%0.19SC..Hα-helixtrans-69.7-40.4175.8-64.5-31.6000112.7H150 D165 Y170 S171 R172H150-F168 HydrophobicContact CB-CE1 4.47Å; D165-F168 HydrophobicContact CB-CB 4.11Å; D165-F168 HydrophobicContact CB-CD2 3.71Å; D165-F168 HydrophobicContact CB-CG 4.2Å; D165-F168 PolarHBondContact O-N 3.18Å; D165-F168 PolarHBondContact OD1-N 3.47Å; F168-Y170 VanDerWaalsContact C-N 3.32Å; F168-Y170 PolarHBondContact O-N 3.32Å; F168-S171 PolarHBondContact O-N 3.31Å; F168-S171 VanDerWaalsContact O-N 3.15Å; F168-R172 WeakPolarHBondContact O-CB 3.37Å; F168-R172 PolarHBondContact O-N 2.9Å
169A96.3Very high96Very high4 Ų439.6 Ų39.63%0.03319%0.187CC..Hα-helixtrans-59.9-42.917400000111.7Y164 D165 R172 S173Y164-A169 HydrophobicContact CD2-CB 4.02Å; Y164-A169 HydrophobicContact CE2-CB 3.37Å; D165-A169 VanDerWaalsContact O-CB 3.29Å; D165-A169 WeakPolarHBondContact O-CB 3.49Å; D165-A169 PolarHBondContact O-N 3.42Å; A169-R172 PolarHBondContact O-N 3.25Å; A169-S173 PolarHBondContact O-N 3.5Å
170Y96.1Very high96.2Very high13 Ų1338.7 Ų38.75%0.05118%0.182CC..Hα-helixtrans-59.6-50.3171.8-177.4-111.4000112.1V98 Y99 L147 K166 F168 R172 S173 K174V98-Y170 VanDerWaalsContact O-CD2 3.3Å; V98-Y170 WeakPolarHBondContact O-CD2 3.37Å; V98-Y170 WeakPolarHBondContact O-CE2 3.45Å; Y99-Y170 AromaticContact CD2-CD1 3.42Å; Y99-Y170 HydrophobicContact CD2-CD1 3.42Å; Y99-Y170 VanDerWaalsContact CD2-CD1 3.42Å; Y99-Y170 AromaticContact CD2-CD2 3.54Å; Y99-Y170 HydrophobicContact CD2-CD2 3.54Å; Y99-Y170 AromaticContact CD2-CE1 3.62Å; Y99-Y170 HydrophobicContact CD2-CE1 3.62Å; Y99-Y170 AromaticContact CD2-CE2 3.73Å; Y99-Y170 HydrophobicContact CD2-CE2 3.73Å; Y99-Y170 AromaticContact CD2-CG 3.34Å; Y99-Y170 HydrophobicContact CD2-CG 3.34Å; Y99-Y170 AromaticContact CD2-CZ 3.75Å; Y99-Y170 AromaticContact CE2-CD1 3.47Å; Y99-Y170 HydrophobicContact CE2-CD1 3.47Å; Y99-Y170 VanDerWaalsContact CE2-CD1 3.47Å; Y99-Y170 HydrophobicContact CE2-CD2 4.41Å; Y99-Y170 AromaticContact CE2-CE1 3.79Å; Y99-Y170 HydrophobicContact CE2-CE1 3.79Å; Y99-Y170 AromaticContact CE2-CG 3.79Å; Y99-Y170 HydrophobicContact CE2-CG 3.79Å; Y99-Y170 HydrophobicContact CG-CD2 4.37Å; Y99-Y170 HydrophobicContact CG-CE2 4.35Å; L147-Y170 HydrophobicContact CB-CD1 4.23Å; L147-Y170 HydrophobicContact CB-CE1 4.24Å; L147-Y170 HydrophobicContact CD1-CD1 3.88Å; L147-Y170 HydrophobicContact CD1-CE1 3.81Å; K166-Y170 PolarHBondContact O-N 3.26Å; F168-Y170 VanDerWaalsContact C-N 3.32Å; F168-Y170 PolarHBondContact O-N 3.32Å; Y170-R172 VanDerWaalsContact C-N 3.28Å; Y170-R172 PolarHBondContact O-N 3.5Å; Y170-S173 WeakPolarHBondContact O-CB 3.5Å; Y170-S173 PolarHBondContact O-N 3.28Å; Y170-S173 PolarHBondContact O-OG 3.23Å; Y170-K174 HydrophobicContact CD1-CG 4.12Å; Y170-K174 HydrophobicContact CD2-CG 4.32Å; Y170-K174 HydrophobicContact CE1-CG 3.7Å; Y170-K174 HydrophobicContact CE2-CD 4.24Å; Y170-K174 HydrophobicContact CE2-CG 3.94Å; Y170-K174 HydrophobicContact CG-CG 4.44Å; Y170-K174 VanDerWaalsContact CZ-CE 3.44Å; Y170-K174 WeakPolarHBondContact O-CG 3.28Å; Y170-K174 PolarHBondContact O-N 3.35Å; Y170-K174 VanDerWaalsContact OH-CE 3.25Å; Y170-K174 WeakPolarHBondContact OH-CE 3.23Å
171S96.4Very high96.3Very high3 Ų338.5 Ų38.52%0.02118%0.181CC..Hα-helixtrans-60.8-40-176.6-59.80000111.1L147 A167 F168 K174 L175L147-S171 WeakPolarHBondContact O-CB 3.13Å; L147-S171 PolarHBondContact O-OG 2.78Å; A167-S171 WeakPolarHBondContact O-CB 3.38Å; A167-S171 PolarHBondContact O-N 3.29Å; A167-S171 PolarHBondContact O-OG 3.39Å; F168-S171 PolarHBondContact O-N 3.31Å; F168-S171 VanDerWaalsContact O-N 3.15Å; S171-K174 PolarHBondContact O-N 3.04Å; S171-L175 PolarHBondContact O-N 3Å
172R97.6Very high96.5Very high32 Ų3234.5 Ų34.512%0.12117%0.165CC..Hα-helixtrans-58.6-49.8170.5178.5-175-59.91664.1111.3D152 I153 D157 L158 S160 F168 A169 Y170 K174 L175 A176D152-R172 VanDerWaalsContact O-CG 3.26Å; D152-R172 WeakPolarHBondContact O-CG 3.44Å; D152-R172 PolarHBondContact O-NE 3Å; I153-R172 HydrophobicContact CD1-CG 4.02Å; D157-R172 PolarHBondContact O-NH1 3.46Å; L158-R172 PolarHBondContact O-NH1 3.11Å; S160-R172 PolarHBondContact OG-NH1 3.14Å; F168-R172 WeakPolarHBondContact O-CB 3.37Å; F168-R172 PolarHBondContact O-N 2.9Å; A169-R172 PolarHBondContact O-N 3.25Å; Y170-R172 VanDerWaalsContact C-N 3.28Å; Y170-R172 PolarHBondContact O-N 3.5Å; R172-K174 PolarHBondContact O-N 2.91Å; R172-L175 WeakPolarHBondContact O-CB 3.45Å; R172-L175 PolarHBondContact O-N 3.32Å; R172-L175 VanDerWaalsContact O-N 3.15Å; R172-A176 WeakPolarHBondContact O-CB 3.38Å; R172-A176 PolarHBondContact O-N 3.26Å
173S98.3Very high96.8Very high0 Ų027.1 Ų27.10%013%0.13CC..Hα-helixtrans-60-33.2178.880.10000112.7N117 A169 Y170 A176 N177N117-S173 PolarHBondContact ND2-OG 3.43Å; A169-S173 PolarHBondContact O-N 3.5Å; Y170-S173 WeakPolarHBondContact O-CB 3.5Å; Y170-S173 PolarHBondContact O-N 3.28Å; Y170-S173 PolarHBondContact O-OG 3.23Å; S173-A176 WeakPolarHBondContact O-CB 3.45Å; S173-N177 PolarHBondContact O-N 3.27Å; S173-N177 VanDerWaalsContact O-N 3.13Å; S173-N177 PolarHBondContact O-OD1 3.3Å
174K98.1Very high97.1Very high5 Ų520.2 Ų20.22%0.02210%0.1CC..Hα-helixtrans-80.6-28.7177.9-62.8-60.8178.1-1730113.1V143 S144 Y170 S171 R172 L178V143-K174 PolarHBondContact O-NZ 2.93Å; S144-K174 PolarHBondContact OG-O 2.94Å; Y170-K174 HydrophobicContact CD1-CG 4.12Å; Y170-K174 HydrophobicContact CD2-CG 4.32Å; Y170-K174 HydrophobicContact CE1-CG 3.7Å; Y170-K174 HydrophobicContact CE2-CD 4.24Å; Y170-K174 HydrophobicContact CE2-CG 3.94Å; Y170-K174 HydrophobicContact CG-CG 4.44Å; Y170-K174 VanDerWaalsContact CZ-CE 3.44Å; Y170-K174 WeakPolarHBondContact O-CG 3.28Å; Y170-K174 PolarHBondContact O-N 3.35Å; Y170-K174 VanDerWaalsContact OH-CE 3.25Å; Y170-K174 WeakPolarHBondContact OH-CE 3.23Å; S171-K174 PolarHBondContact O-N 3.04Å; R172-K174 PolarHBondContact O-N 2.91Å; K174-L178 PolarHBondContact O-N 3.2Å
175L98.6Very high97.2Very high2 Ų218.2 Ų18.21%0.019%0.093CC..Hα-helixtrans-65.2-45.4165.8177.860.2000111.1Y148 G151 I153 S171 R172 N177 L178 L179 K267 A268Y148-L175 HydrophobicContact CD2-CD1 4.18Å; G151-L175 WeakPolarHBondContact O-CD2 3.17Å; I153-L175 HydrophobicContact CD1-CB 4.4Å; I153-L175 HydrophobicContact CD1-CD2 4.09Å; I153-L175 HydrophobicContact CD1-CG 4.09Å; I153-L175 HydrophobicContact CG1-CD2 3.94Å; I153-L175 HydrophobicContact CG1-CG 4.23Å; S171-L175 PolarHBondContact O-N 3Å; R172-L175 WeakPolarHBondContact O-CB 3.45Å; R172-L175 PolarHBondContact O-N 3.32Å; R172-L175 VanDerWaalsContact O-N 3.15Å; L175-N177 VanDerWaalsContact C-N 3.28Å; L175-N177 PolarHBondContact O-N 3.1Å; L175-L178 WeakPolarHBondContact O-CB 3.26Å; L175-L178 PolarHBondContact O-N 3.13Å; L175-L179 HydrophobicContact CD1-CD1 4.33Å; L175-L179 HydrophobicContact CD1-CG 4.45Å; L175-L179 HydrophobicContact CG-CD1 4.03Å; L175-L179 PolarHBondContact O-N 2.9Å; L175-K267 HydrophobicContact CD1-CG 4.4Å; L175-K267 HydrophobicContact CD2-CD 4.39Å; L175-A268 HydrophobicContact CD1-CB 3.68Å
176A98.8Very high97.4Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-55.6-42.2175.700000111.9F114 H118 I153 R172 S173 L178 L179 F180 L277F114-A176 HydrophobicContact CE2-CB 4.1Å; H118-A176 HydrophobicContact CB-CB 4.13Å; I153-A176 HydrophobicContact CD1-CB 4.15Å; R172-A176 WeakPolarHBondContact O-CB 3.38Å; R172-A176 PolarHBondContact O-N 3.26Å; S173-A176 WeakPolarHBondContact O-CB 3.45Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 3.28Å; A176-L179 PolarHBondContact O-N 3.01Å; A176-F180 WeakPolarHBondContact O-CB 3.43Å; A176-F180 PolarHBondContact O-N 3.12Å; A176-L277 HydrophobicContact CB-CD2 3.79Å
177N98.8Very high97.6Very high3 Ų321.9 Ų21.92%0.01610%0.101CC..Hα-helixtrans-60.1-34.1174.7-75.97.8000113.9N117 V142 V143 S173 L175 T181N117-N177 PolarHBondContact O-ND2 3.08Å; N117-N177 PolarHBondContact O-OD1 3.43Å; N117-N177 VanDerWaalsContact O-OD1 3.05Å; V142-N177 HydrophobicContact CG1-CB 3.76Å; V143-N177 PolarHBondContact O-ND2 3.28Å; S173-N177 PolarHBondContact O-N 3.27Å; S173-N177 VanDerWaalsContact O-N 3.13Å; S173-N177 PolarHBondContact O-OD1 3.3Å; L175-N177 VanDerWaalsContact C-N 3.28Å; L175-N177 PolarHBondContact O-N 3.1Å; N177-T181 WeakPolarHBondContact O-CB 3.38Å; N177-T181 PolarHBondContact O-N 3.35Å; N177-T181 VanDerWaalsContact O-N 3.09Å; N177-T181 PolarHBondContact O-OG1 2.64Å
178L98.8Very high98Very high2 Ų220.6 Ų20.61%0.019%0.089CC..Hα-helixtrans-74.5-46.2177.8-65179.7000111.4Y148 K174 L175 A176 F180 T181 C182 A197 C255 L264 A268Y148-L178 HydrophobicContact CD1-CD1 3.44Å; Y148-L178 VanDerWaalsContact CD1-CD1 3.44Å; Y148-L178 HydrophobicContact CD2-CD1 3.71Å; Y148-L178 HydrophobicContact CE1-CD1 3.8Å; Y148-L178 HydrophobicContact CE2-CD1 4.06Å; Y148-L178 HydrophobicContact CG-CD1 3.42Å; Y148-L178 VanDerWaalsContact CG-CD1 3.42Å; K174-L178 PolarHBondContact O-N 3.2Å; L175-L178 WeakPolarHBondContact O-CB 3.26Å; L175-L178 PolarHBondContact O-N 3.13Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 3.28Å; L178-F180 VanDerWaalsContact C-N 3.32Å; L178-F180 PolarHBondContact O-N 3.13Å; L178-T181 WeakPolarHBondContact O-CB 3.34Å; L178-T181 PolarHBondContact O-N 2.92Å; L178-T181 VanDerWaalsContact O-N 3.12Å; L178-C182 PolarHBondContact O-N 3.48Å; L178-C182 PolarHBondContact O-SG 3.23Å; L178-A197 HydrophobicContact CD2-CB 3.63Å; L178-C255 HydrophobicContact CD2-CB 4.17Å; L178-L264 HydrophobicContact CD1-CD1 4.34Å; L178-L264 HydrophobicContact CD1-CD2 3.89Å; L178-A268 HydrophobicContact CB-CB 4.25Å; L178-A268 HydrophobicContact CD1-CB 3.83Å
179L98.8Very high98.1Very high1 Ų121.6 Ų21.61%0.00510%0.096CC..Hα-helixtrans-59.5-44.9175.1-69.8165.4000111I153 L175 A176 T181 C182 E183 D270 V273 A274 L277I153-L179 HydrophobicContact CD1-CD1 4.06Å; I153-L179 HydrophobicContact CG1-CD1 3.55Å; L175-L179 HydrophobicContact CD1-CD1 4.33Å; L175-L179 HydrophobicContact CD1-CG 4.45Å; L175-L179 HydrophobicContact CG-CD1 4.03Å; L175-L179 PolarHBondContact O-N 2.9Å; A176-L179 PolarHBondContact O-N 3.01Å; L179-T181 VanDerWaalsContact C-N 3.32Å; L179-T181 PolarHBondContact O-N 2.87Å; L179-C182 PolarHBondContact O-N 3.47Å; L179-E183 PolarHBondContact O-N 3.35Å; L179-D270 WeakPolarHBondContact CD2-O 3.34Å; L179-V273 HydrophobicContact CD1-CG1 3.76Å; L179-V273 HydrophobicContact CD2-CB 4.48Å; L179-V273 HydrophobicContact CD2-CG1 4.37Å; L179-A274 HydrophobicContact CB-CB 4.01Å; L179-A274 HydrophobicContact CD2-CB 3.86Å; L179-L277 HydrophobicContact CB-CD2 4.16Å; L179-L277 HydrophobicContact CD1-CD2 4.1Å
180F98.9Very high98.1Very high9 Ų925.7 Ų25.74%0.03914%0.138CC..Hα-helixtrans-54.6-47172171.1-112.7000111.9F122 T125 V142 A176 L178 C182 E183 L184 W278F122-F180 AromaticContact CD2-CD2 3.52Å; F122-F180 HydrophobicContact CD2-CD2 3.52Å; F122-F180 AromaticContact CD2-CE2 3.46Å; F122-F180 HydrophobicContact CD2-CE2 3.46Å; F122-F180 VanDerWaalsContact CD2-CE2 3.46Å; F122-F180 AromaticContact CE2-CD2 3.96Å; F122-F180 HydrophobicContact CE2-CD2 3.96Å; F122-F180 AromaticContact CE2-CE2 3.92Å; F122-F180 HydrophobicContact CE2-CE2 3.92Å; F122-F180 HydrophobicContact CG-CE2 4.32Å; T125-F180 HydrophobicContact CG2-CZ 3.92Å; V142-F180 HydrophobicContact CG2-CD1 4.2Å; V142-F180 HydrophobicContact CG2-CE1 4.1Å; A176-F180 WeakPolarHBondContact O-CB 3.43Å; A176-F180 PolarHBondContact O-N 3.12Å; L178-F180 VanDerWaalsContact C-N 3.32Å; L178-F180 PolarHBondContact O-N 3.13Å; F180-C182 VanDerWaalsContact C-N 3.35Å; F180-C182 PolarHBondContact O-N 3.38Å; F180-E183 PolarHBondContact O-N 3.37Å; F180-L184 HydrophobicContact CE1-CD2 3.86Å; F180-L184 HydrophobicContact CE2-CB 4.48Å; F180-L184 HydrophobicContact CE2-CD2 4.37Å; F180-L184 HydrophobicContact CZ-CD2 3.72Å; F180-L184 WeakPolarHBondContact O-CB 3.39Å; F180-L184 PolarHBondContact O-N 3.49Å; F180-W278 HydrophobicContact CD2-CE3 4.09Å; F180-W278 AromaticContact CD2-CZ3 3.77Å; F180-W278 HydrophobicContact CD2-CZ3 3.77Å; F180-W278 HydrophobicContact CE2-CE3 4.34Å; F180-W278 HydrophobicContact CE2-CH2 4.17Å; F180-W278 AromaticContact CE2-CZ3 3.66Å; F180-W278 HydrophobicContact CE2-CZ3 3.66Å
181T98.8Very high98.2Very high2 Ų226.6 Ų26.61%0.01215%0.146CC..Hα-helixtrans-63.4-41.9180-58.80000111.8N177 L178 L179 A185 N196 A197N177-T181 WeakPolarHBondContact O-CB 3.38Å; N177-T181 PolarHBondContact O-N 3.35Å; N177-T181 VanDerWaalsContact O-N 3.09Å; N177-T181 PolarHBondContact O-OG1 2.64Å; L178-T181 WeakPolarHBondContact O-CB 3.34Å; L178-T181 PolarHBondContact O-N 2.92Å; L178-T181 VanDerWaalsContact O-N 3.12Å; L179-T181 VanDerWaalsContact C-N 3.32Å; L179-T181 PolarHBondContact O-N 2.87Å; T181-A185 WeakPolarHBondContact O-CB 3.39Å; T181-A185 PolarHBondContact O-N 3.41Å; T181-N196 VanDerWaalsContact CG2-C 3.49Å; T181-A197 HydrophobicContact CG2-CB 3.95Å
182C98.4Very high98.2Very high29 Ų2928.5 Ų28.520%0.19617%0.166CC..Hα-helixtrans-63.6-49.6178.9-63.30000111.1L178 L179 F180 A185 R186L178-C182 PolarHBondContact O-N 3.48Å; L178-C182 PolarHBondContact O-SG 3.23Å; L179-C182 PolarHBondContact O-N 3.47Å; F180-C182 VanDerWaalsContact C-N 3.35Å; F180-C182 PolarHBondContact O-N 3.38Å; C182-A185 PolarHBondContact O-N 2.92Å; C182-R186 PolarHBondContact O-N 2.91Å
183E98.8Very high98.3Very high3 Ų327.1 Ų27.11%0.01416%0.161CC..Hα-helixtrans-68.2-38.5179.8-179.560.9-175.400112.1L179 F180 R186 R187 A274 W278L179-E183 PolarHBondContact O-N 3.35Å; F180-E183 PolarHBondContact O-N 3.37Å; E183-R186 PolarHBondContact O-N 3.07Å; E183-R186 IonicContact OE1-CZ 2.61Å; E183-R186 IonicContact OE1-NE 3.6Å; E183-R186 IonicContact OE1-NH2 3.62Å; E183-R186 PolarHBondContact OE1-NH2 3.5Å; E183-R186 IonicContact OE2-CZ 3.59Å; E183-R186 IonicContact OE2-NE 3.89Å; E183-R186 PolarHBondContact OE2-NE 3.3Å; E183-R186 IonicContact OE2-NH2 2.65Å; E183-R186 PolarHBondContact OE2-NH2 3.01Å; E183-R187 WeakPolarHBondContact O-CG 3.06Å; E183-R187 PolarHBondContact O-N 2.96Å; E183-R187 IonicContact OE1-CZ 2.56Å; E183-R187 VanDerWaalsContact OE1-CZ 3.25Å; E183-R187 IonicContact OE1-NE 3.02Å; E183-R187 PolarHBondContact OE1-NE 2.91Å; E183-R187 IonicContact OE1-NH2 3.65Å; E183-R187 PolarHBondContact OE1-NH2 2.79Å; E183-A274 HydrophobicContact CB-CB 4.04Å; E183-W278 HydrophobicContact CB-CE3 4.01Å; E183-W278 HydrophobicContact CG-CB 4.02Å; E183-W278 HydrophobicContact CG-CD2 3.93Å; E183-W278 HydrophobicContact CG-CE3 3.53Å; E183-W278 HydrophobicContact CG-CG 4.16Å; E183-W278 HydrophobicContact CG-CZ3 4.29Å
184L98.7Very high98.3Very high2 Ų227.9 Ų27.91%0.0117%0.166CC..Hα-helixtrans-60.1-47.5174.8-179.462.5000111.1T125 M129 I140 F180 R186 R187 L188 A195 W278T125-L184 HydrophobicContact CG2-CD1 4.49Å; T125-L184 HydrophobicContact CG2-CD2 3.98Å; M129-L184 HydrophobicContact CE-CD1 3.68Å; I140-L184 HydrophobicContact CB-CD2 4.43Å; I140-L184 HydrophobicContact CD1-CD2 3.81Å; I140-L184 HydrophobicContact CD1-CG 4.49Å; I140-L184 HydrophobicContact CG2-CD2 4.05Å; F180-L184 HydrophobicContact CE1-CD2 3.86Å; F180-L184 HydrophobicContact CE2-CB 4.48Å; F180-L184 HydrophobicContact CE2-CD2 4.37Å; F180-L184 HydrophobicContact CZ-CD2 3.72Å; F180-L184 WeakPolarHBondContact O-CB 3.39Å; F180-L184 PolarHBondContact O-N 3.49Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.12Å; L184-R187 PolarHBondContact O-N 3.25Å; L184-L188 HydrophobicContact CD1-CD1 3.73Å; L184-L188 HydrophobicContact CD1-CG 4.02Å; L184-L188 HydrophobicContact CD2-CD1 4.44Å; L184-L188 HydrophobicContact CG-CD1 3.71Å; L184-L188 HydrophobicContact CG-CG 4.33Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.36Å; L184-A195 HydrophobicContact CB-CB 4.24Å; L184-A195 HydrophobicContact CD2-CB 3.58Å; L184-A195 HydrophobicContact CG-CB 3.76Å; L184-W278 HydrophobicContact CB-CH2 4.37Å; L184-W278 HydrophobicContact CB-CZ3 3.87Å; L184-W278 HydrophobicContact CD1-CH2 3.74Å; L184-W278 HydrophobicContact CD1-CZ3 4.12Å
185A98.4Very high98.3Very high4 Ų427.6 Ų27.63%0.03317%0.165CC..Hα-helixtrans-58.2-45.717800000111.7T181 C182 R187 L188 E189 A195 Q252T181-A185 WeakPolarHBondContact O-CB 3.39Å; T181-A185 PolarHBondContact O-N 3.41Å; C182-A185 PolarHBondContact O-N 2.92Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 2.78Å; A185-L188 PolarHBondContact O-N 3.46Å; A185-L188 VanDerWaalsContact O-N 3.12Å; A185-E189 PolarHBondContact O-N 3.01Å; A185-A195 HydrophobicContact CB-CB 4.45Å; A185-Q252 HydrophobicContact CB-CB 4.03Å; A185-Q252 HydrophobicContact CB-CG 4.29Å; A185-Q252 PolarHBondContact O-OE1 3.47Å
186R98.3Very high98.3Very high103 Ų10327.8 Ų27.839%0.38917%0.166SC..Hα-helixtrans-59.2-43.8176.3-168.3-169.768.976.2-2.5111.9C182 E183 L184 L188 E189C182-R186 PolarHBondContact O-N 2.91Å; E183-R186 PolarHBondContact O-N 3.07Å; E183-R186 IonicContact OE1-CZ 2.61Å; E183-R186 IonicContact OE1-NE 3.6Å; E183-R186 IonicContact OE1-NH2 3.62Å; E183-R186 PolarHBondContact OE1-NH2 3.5Å; E183-R186 IonicContact OE2-CZ 3.59Å; E183-R186 IonicContact OE2-NE 3.89Å; E183-R186 PolarHBondContact OE2-NE 3.3Å; E183-R186 IonicContact OE2-NH2 2.65Å; E183-R186 PolarHBondContact OE2-NH2 3.01Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.12Å; R186-L188 PolarHBondContact O-N 2.99Å; R186-E189 WeakPolarHBondContact O-CG 3.35Å; R186-E189 PolarHBondContact O-N 3.42Å
187R98Very high98.3Very high96 Ų9627.9 Ų27.936%0.36217%0.167SC..Hα-helixtrans-70.5-17178.4-70.3-178-177.1-122.71.7113.8E183 L184 A185 W278 D279E183-R187 WeakPolarHBondContact O-CG 3.06Å; E183-R187 PolarHBondContact O-N 2.96Å; E183-R187 IonicContact OE1-CZ 2.56Å; E183-R187 VanDerWaalsContact OE1-CZ 3.25Å; E183-R187 IonicContact OE1-NE 3.02Å; E183-R187 PolarHBondContact OE1-NE 2.91Å; E183-R187 IonicContact OE1-NH2 3.65Å; E183-R187 PolarHBondContact OE1-NH2 2.79Å; L184-R187 PolarHBondContact O-N 3.25Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 2.78Å; R187-W278 VanDerWaalsContact CZ-CD1 3.45Å; R187-D279 IonicContact NH2-OD1 2.87Å
188L98.1Very high98.3Very high6 Ų627.8 Ų27.83%0.03117%0.166CC..THydrogen-bonded Turntrans-98.90.5-179.5-68.1176.4000114.2M129 I140 L184 A185 R186 G190 S191 V193 A195M129-L188 HydrophobicContact CE-CD2 4.07Å; M129-L188 HydrophobicContact SD-CD2 3.46Å; M129-L188 WeakPolarHBondContact SD-CD2 3.5Å; I140-L188 HydrophobicContact CD1-CD1 3.93Å; L184-L188 HydrophobicContact CD1-CD1 3.73Å; L184-L188 HydrophobicContact CD1-CG 4.02Å; L184-L188 HydrophobicContact CD2-CD1 4.44Å; L184-L188 HydrophobicContact CG-CD1 3.71Å; L184-L188 HydrophobicContact CG-CG 4.33Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.36Å; A185-L188 PolarHBondContact O-N 3.46Å; A185-L188 VanDerWaalsContact O-N 3.12Å; R186-L188 PolarHBondContact O-N 2.99Å; L188-G190 PolarHBondContact O-N 2.7Å; L188-S191 VanDerWaalsContact O-CB 3.25Å; L188-S191 WeakPolarHBondContact O-CB 3.48Å; L188-S191 PolarHBondContact O-N 2.77Å; L188-S191 PolarHBondContact O-OG 3.13Å; L188-V193 WeakPolarHBondContact CB-O 3.26Å; L188-V193 HydrophobicContact CD1-CB 4.11Å; L188-V193 HydrophobicContact CD1-CG1 3.9Å; L188-V193 HydrophobicContact CD2-CB 4.31Å; L188-A195 HydrophobicContact CD1-CB 4.31Å
189E96.9Very high98.1Very high135 Ų13527.7 Ų27.763%0.63117%0.166SC*.THydrogen-bonded Turntrans-50.7130.1176.1-73.9179.8-170.700111.7A185 R186 S191A185-E189 PolarHBondContact O-N 3.01Å; R186-E189 WeakPolarHBondContact O-CG 3.35Å; R186-E189 PolarHBondContact O-N 3.42Å; E189-S191 PolarHBondContact O-N 3Å
190G96.4Very high97.4Very high89 Ų8928.3 Ų28.392%0.91817%0.169SC*.THydrogen-bonded Turntrans76.6-6-178.200000115.9L188L188-G190 PolarHBondContact O-N 2.7Å
191S97.8Very high96.5Very high33 Ų3329.3 Ų29.323%0.23118%0.183CC..THydrogen-bonded Turntrans-81.6-13.6-17973.30000114.7L188 E189 V193L188-S191 VanDerWaalsContact O-CB 3.25Å; L188-S191 WeakPolarHBondContact O-CB 3.48Å; L188-S191 PolarHBondContact O-N 2.77Å; L188-S191 PolarHBondContact O-OG 3.13Å; E189-S191 PolarHBondContact O-N 3Å; S191-V193 PolarHBondContact O-N 2.98Å; S191-V193 PolarHBondContact OG-N 3.08Å
192G97.7Very high95.4Very high43 Ų4334.7 Ų34.744%0.44321%0.21SC..THydrogen-bonded Turntrans75.84.4-171.100000114.3P137 S138P137-G192 WeakPolarHBondContact CA-O 3.46Å; S138-G192 PolarHBondContact N-O 3.28Å
193V98.6Very high93.9Very high2 Ų234.1 Ų34.11%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-102.5130.6172.5-170.60000109.3L132 K133 S138 I140 L188 S191L132-V193 HydrophobicContact CB-CG1 4.35Å; L132-V193 HydrophobicContact CB-CG2 4.39Å; K133-V193 HydrophobicContact CB-CG2 4.32Å; K133-V193 HydrophobicContact CG-CG2 3.76Å; S138-V193 WeakPolarHBondContact O-CA 3.45Å; S138-V193 WeakPolarHBondContact OG-CG2 3.34Å; I140-V193 HydrophobicContact CD1-CG1 3.88Å; I140-V193 HydrophobicContact CG1-CG1 4.14Å; L188-V193 WeakPolarHBondContact CB-O 3.26Å; L188-V193 HydrophobicContact CD1-CB 4.11Å; L188-V193 HydrophobicContact CD1-CG1 3.9Å; L188-V193 HydrophobicContact CD2-CB 4.31Å; S191-V193 PolarHBondContact O-N 2.98Å; S191-V193 PolarHBondContact OG-N 3.08Å
194T98.8Very high92.2Very high16 Ų1639 Ų3910%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-109143.8176.457.90000111.5S138 R139 I140 V251 Q252S138-T194 PolarHBondContact O-N 3.32Å; R139-T194 CarbonylContact C-O 3.46Å; R139-T194 WeakPolarHBondContact CA-O 3.41Å; I140-T194 PolarHBondContact N-O 3.03Å; T194-V251 WeakPolarHBondContact CB-O 3.38Å; T194-Q252 HydrophobicContact CG2-CB 4.33Å
195A98.8Very high90.3Very high0 Ų040.9 Ų40.90%024%0.236CC..EExtended strand (participates in β ladder)trans-120.5128.4172.500000111.5I140 L184 A185 L188 Q252 G253I140-A195 HydrophobicContact CB-CB 4.22Å; I140-A195 WeakPolarHBondContact O-CA 3.39Å; L184-A195 HydrophobicContact CB-CB 4.24Å; L184-A195 HydrophobicContact CD2-CB 3.58Å; L184-A195 HydrophobicContact CG-CB 3.76Å; A185-A195 HydrophobicContact CB-CB 4.45Å; L188-A195 HydrophobicContact CD1-CB 4.31Å; A195-Q252 WeakPolarHBondContact O-CA 3.49Å; A195-G253 PolarHBondContact O-N 2.94Å
196N98.8Very high88.4Confident6 Ų645 Ų453%0.03226%0.257CS..EExtended strand (participates in β ladder)trans-137.1156.4173.9-68-67.1000111.4I140 V141 V142 T181 L242 V251 Q252 G253 K254 F256I140-N196 PolarHBondContact O-N 3.2Å; V141-N196 WeakPolarHBondContact CA-O 3.49Å; V142-N196 PolarHBondContact N-O 3.05Å; T181-N196 VanDerWaalsContact CG2-C 3.49Å; N196-L242 HydrophobicContact CB-CD1 4.25Å; N196-L242 HydrophobicContact CB-CD2 4.23Å; N196-V251 PolarHBondContact ND2-O 3.3Å; N196-Q252 VanDerWaalsContact OD1-CA 3.27Å; N196-Q252 WeakPolarHBondContact OD1-CA 3.35Å; N196-G253 PolarHBondContact OD1-N 3.34Å; N196-K254 WeakPolarHBondContact CA-O 3.47Å; N196-K254 PolarHBondContact OD1-N 3.13Å; N196-K254 VanDerWaalsContact OD1-N 3.11Å; N196-F256 HydrophobicContact CB-CE2 4.44Å
197A98.7Very high86.5Confident2 Ų242.6 Ų42.62%0.01725%0.252CS..EExtended strand (participates in β ladder)trans-109.8164.6176.400000111.3V142 L178 T181 K254 C255 F256V142-A197 HydrophobicContact CB-CB 4.47Å; V142-A197 CarbonylContact O-C 3.59Å; V142-A197 WeakPolarHBondContact O-CA 3.25Å; L178-A197 HydrophobicContact CD2-CB 3.63Å; T181-A197 HydrophobicContact CG2-CB 3.95Å; A197-K254 PolarHBondContact N-O 3.01Å; A197-C255 HydrophobicContact CB-CB 4.28Å; A197-C255 CarbonylContact O-C 3.51Å; A197-C255 VanDerWaalsContact O-CA 3.28Å; A197-C255 WeakPolarHBondContact O-CA 3.31Å; A197-F256 PolarHBondContact O-N 2.87Å
198L98.5Very high84.5Confident0 Ų039.6 Ų39.60%025%0.251CS..EExtended strand (participates in β ladder)trans-143159.8168.869.397.5000113V141 V142 V143 S144 P200 T238 S239 L242 F256V141-L198 HydrophobicContact CG1-CD2 3.58Å; V142-L198 PolarHBondContact O-N 3.29Å; V143-L198 HydrophobicContact CG1-CD1 4.2Å; V143-L198 HydrophobicContact CG2-CD1 4.3Å; V143-L198 HydrophobicContact CG2-CD2 4.29Å; V143-L198 HydrophobicContact CG2-CG 4.3Å; S144-L198 CarbonylContact C-O 3.49Å; S144-L198 WeakPolarHBondContact CA-O 3.49Å; S144-L198 PolarHBondContact N-O 3.35Å; L198-P200 HydrophobicContact CD1-CB 4.11Å; L198-P200 HydrophobicContact CD1-CG 4.47Å; L198-T238 HydrophobicContact CB-CG2 3.63Å; L198-T238 HydrophobicContact CD2-CG2 4.27Å; L198-T238 HydrophobicContact CG-CG2 4.38Å; L198-S239 WeakPolarHBondContact CD2-OG 3.04Å; L198-L242 HydrophobicContact CB-CD1 3.98Å; L198-L242 HydrophobicContact CD2-CD1 3.94Å; L198-F256 CarbonylContact C-O 3.52Å; L198-F256 WeakPolarHBondContact CA-O 3.3Å; L198-F256 HydrophobicContact CB-CB 4.48Å
199T93.1Very high83Confident1 Ų145.6 Ų45.61%0.00627%0.273CS..  trans-118.5119.3164.270.50000109.1K146 G201 F256 M262K146-T199 HydrophobicContact CG-CG2 4.35Å; T199-G201 PolarHBondContact O-N 3.47Å; T199-F256 PolarHBondContact N-O 3.42Å; T199-M262 HydrophobicContact CG2-CE 4.4Å; T199-M262 HydrophobicContact CG2-SD 3.79Å; T199-M262 PolarHBondContact OG1-SD 3.32Å; T199-M262 VanDerWaalsContact OG1-SD 3.4Å
200P85.3Confident81.1Confident13 Ų1342.3 Ų42.38%0.08426%0.257CS..  trans-77.8-10.2-17230.9-34.8000113.1I19 V143 S144 L198 V203 K230I19-P200 HydrophobicContact CD1-CB 3.79Å; I19-P200 HydrophobicContact CD1-CG 3.79Å; V143-P200 HydrophobicContact CG1-CG 4.31Å; S144-P200 WeakPolarHBondContact O-CD 3.36Å; L198-P200 HydrophobicContact CD1-CB 4.11Å; L198-P200 HydrophobicContact CD1-CG 4.47Å; P200-V203 HydrophobicContact CB-CG2 4Å; P200-V203 HydrophobicContact CG-CG2 4.48Å; P200-K230 WeakPolarHBondContact O-CD 3.01Å; P200-K230 PolarHBondContact O-NZ 2.84Å; P200-K230 VanDerWaalsContact O-NZ 3.08Å
201G80.4Confident79.4Confident31 Ų3140.6 Ų40.632%0.3223%0.229SC..  trans84.7-162.1-169.600000112T199 V203T199-G201 PolarHBondContact O-N 3.47Å; G201-V203 PolarHBondContact O-N 3.02Å
202I74.4Confident77.7Confident114 Ų11447 Ų4759%0.58526%0.255SS*.SBendtrans-88.1107.6177.5-52.8176000107.8F229 K230I202-F229 HydrophobicContact CB-CD1 4.21Å; I202-F229 HydrophobicContact CB-CG 4.47Å; I202-F229 HydrophobicContact CG2-CB 4.3Å; I202-F229 HydrophobicContact CG2-CD1 3.47Å; I202-F229 VanDerWaalsContact CG2-CD1 3.47Å; I202-F229 HydrophobicContact CG2-CD2 3.77Å; I202-F229 HydrophobicContact CG2-CE1 3.62Å; I202-F229 HydrophobicContact CG2-CE2 3.9Å; I202-F229 HydrophobicContact CG2-CG 3.58Å; I202-F229 HydrophobicContact CG2-CZ 3.83Å; I202-K230 PolarHBondContact O-N 2.82Å
203V67Low76Confident18 Ų1847.1 Ų47.111%0.10925%0.245CC..BIsolated β-bridgetrans-116137.8-174.3-170.20000110.2I19 P200 G201 T205 K230 S231I19-V203 HydrophobicContact CD1-CB 3.99Å; I19-V203 HydrophobicContact CD1-CG1 4.17Å; I19-V203 HydrophobicContact CD1-CG2 3.84Å; I19-V203 HydrophobicContact CG1-CB 4.26Å; I19-V203 HydrophobicContact CG1-CG1 3.87Å; I19-V203 HydrophobicContact CG1-CG2 4.31Å; P200-V203 HydrophobicContact CB-CG2 4Å; P200-V203 HydrophobicContact CG-CG2 4.48Å; G201-V203 PolarHBondContact O-N 3.02Å; V203-T205 HydrophobicContact CB-CG2 4.05Å; V203-T205 HydrophobicContact CG1-CG2 3.74Å; V203-T205 PolarHBondContact O-N 3.06Å; V203-K230 WeakPolarHBondContact CA-O 3.38Å; V203-K230 HydrophobicContact CG1-CB 4.47Å; V203-K230 HydrophobicContact CG2-CB 4.16Å; V203-S231 WeakPolarHBondContact CG1-O 3.46Å
204R64Low74.3Confident105 Ų10551.4 Ų51.440%0.39627%0.273SS..  trans-70.891.8175.3-62.617661.6-149.5-12.4110.3S225 R226 F229 K230R204-S225 WeakPolarHBondContact CD-O 3.31Å; R204-R226 VanDerWaalsContact NH1-CG 3.31Å; R204-F229 HydrophobicContact CG-CB 3.43Å; R204-F229 VanDerWaalsContact CG-CB 3.43Å; R204-F229 HydrophobicContact CG-CD2 4.05Å; R204-F229 HydrophobicContact CG-CG 4.26Å; R204-K230 PolarHBondContact N-O 3.28Å
205T59.3Low72.6Confident41 Ų4156.2 Ų56.225%0.25230%0.302SS..SBendtrans-131.3165.317964.80000111I19 V203 L207I19-T205 HydrophobicContact CD1-CG2 4.21Å; I19-T205 HydrophobicContact CG1-CG2 3.93Å; V203-T205 HydrophobicContact CB-CG2 4.05Å; V203-T205 HydrophobicContact CG1-CG2 3.74Å; V203-T205 PolarHBondContact O-N 3.06Å; T205-L207 PolarHBondContact O-N 3.24Å; T205-L207 VanDerWaalsContact O-N 3.08Å; T205-L207 WeakPolarHBondContact OG1-CB 3.37Å; T205-L207 PolarHBondContact OG1-N 3.29Å
206N56.8Low70.7Confident90 Ų9064.3 Ų64.348%0.48134%0.344SS..G310 helixtrans-691.3171.9-69.6-31.2000113.5G208 R209N206-G208 PolarHBondContact O-N 2.98Å; N206-R209 WeakPolarHBondContact O-CB 3.3Å; N206-R209 VanDerWaalsContact O-CG 3.31Å; N206-R209 WeakPolarHBondContact O-CG 3.34Å; N206-R209 PolarHBondContact O-N 3Å
207L58.5Low68.8Low53 Ų5366 Ų6628%0.27736%0.359SS..G310 helixtrans-61.4-35.2177.8-171.761.2000111.5G97 Y99 T205 R209G97-L207 VanDerWaalsContact O-CD1 3.3Å; G97-L207 WeakPolarHBondContact O-CD1 3.3Å; Y99-L207 HydrophobicContact CG-CG 4.32Å; T205-L207 PolarHBondContact O-N 3.24Å; T205-L207 VanDerWaalsContact O-N 3.08Å; T205-L207 WeakPolarHBondContact OG1-CB 3.37Å; T205-L207 PolarHBondContact OG1-N 3.29Å; L207-R209 PolarHBondContact O-N 3.37Å
208G56.4Low67.2Low33 Ų3370.8 Ų70.834%0.3438%0.379SS..G310 helixtrans-769178.100000115.9N206 H210 V211N206-G208 PolarHBondContact O-N 2.98Å; G208-H210 PolarHBondContact O-N 3.47Å; G208-H210 VanDerWaalsContact O-N 3.08Å; G208-V211 WeakPolarHBondContact O-CB 3.24Å; G208-V211 WeakPolarHBondContact O-CG2 3.44Å; G208-V211 PolarHBondContact O-N 3.06Å
209R67.8Low65.4Low132 Ų13275 Ų7550%0.49841%0.407SS..G310 helixtrans-59.7-21.9-173.664.2-173.9168.4-131.1-3.4115.4N206 L207N206-R209 WeakPolarHBondContact O-CB 3.3Å; N206-R209 VanDerWaalsContact O-CG 3.31Å; N206-R209 WeakPolarHBondContact O-CG 3.34Å; N206-R209 PolarHBondContact O-N 3Å; L207-R209 PolarHBondContact O-N 3.37Å
210H55.9Low63.7Low66 Ų6680.2 Ų80.231%0.30643%0.434SS..G310 helixtrans-94.9-1.1176.9-54.2120.7000113.7Y99 Q100 G208 H212Y99-H210 PolarHBondContact O-ND1 3.21Å; Q100-H210 VanDerWaalsContact O-CB 3.25Å; Q100-H210 WeakPolarHBondContact O-CB 3.35Å; G208-H210 PolarHBondContact O-N 3.47Å; G208-H210 VanDerWaalsContact O-N 3.08Å; H210-H212 PolarHBondContact O-N 2.8Å
211V61.1Low62.6Low54 Ų5483.3 Ų83.333%0.32745%0.446SS..SBendtrans-73.9117.9173.8-177.90000108.1Y99 G208 I213Y99-V211 HydrophobicContact CD1-CG2 4.21Å; Y99-V211 HydrophobicContact CE1-CG2 3.75Å; G208-V211 WeakPolarHBondContact O-CB 3.24Å; G208-V211 WeakPolarHBondContact O-CG2 3.44Å; G208-V211 PolarHBondContact O-N 3.06Å; V211-I213 HydrophobicContact CG1-CG1 4.21Å; V211-I213 PolarHBondContact O-N 2.68Å
212H61.6Low61.6Low168 Ų16886.1 Ų86.178%0.77845%0.454SS*.  trans-73.3101.1176.2-74.7-81.5000110.1H210H210-H212 PolarHBondContact O-N 2.8Å
213I61.5Low60.8Low45 Ų4586.3 Ų86.323%0.23146%0.456CS..  trans-98.3123.9169.4-57.4171.5000107.7V211 V215 A217 K218 F221V211-I213 HydrophobicContact CG1-CG1 4.21Å; V211-I213 PolarHBondContact O-N 2.68Å; I213-V215 PolarHBondContact O-N 2.95Å; I213-A217 HydrophobicContact CG2-CB 4.35Å; I213-K218 HydrophobicContact CB-CG 4.35Å; I213-K218 HydrophobicContact CG2-CG 3.98Å; I213-F221 HydrophobicContact CD1-CD1 3.46Å; I213-F221 VanDerWaalsContact CD1-CD1 3.46Å; I213-F221 HydrophobicContact CD1-CD2 4.21Å; I213-F221 HydrophobicContact CD1-CE1 3.36Å; I213-F221 HydrophobicContact CD1-CE2 4.13Å; I213-F221 HydrophobicContact CD1-CG 3.88Å; I213-F221 HydrophobicContact CD1-CZ 3.71Å; I213-F221 HydrophobicContact CG2-CB 4.39Å; I213-F221 HydrophobicContact CG2-CG 4.48Å
214P63.8Low60.3Low91 Ų9189.5 Ų89.559%0.59147%0.471SS*.  trans-50.8133.1174.1-25.733.5000110.8L216 A217 K218P214-L216 PolarHBondContact O-N 3.33Å; P214-L216 VanDerWaalsContact O-N 3.12Å; P214-A217 HydrophobicContact CB-CB 4.32Å; P214-A217 PolarHBondContact O-N 2.98Å; P214-K218 PolarHBondContact O-N 2.92Å
215V63.7Low60.2Low117 Ų11784.9 Ų84.971%0.70946%0.455SS*.G310 helixtrans-54.7-38.6-172.8176.60000111.9I213 A217 K218I213-V215 PolarHBondContact O-N 2.95Å; V215-A217 VanDerWaalsContact C-N 3.27Å; V215-A217 PolarHBondContact O-N 2.81Å; V215-K218 WeakPolarHBondContact O-CB 3.15Å; V215-K218 PolarHBondContact O-N 3.38Å
216L58.2Low60.2Low171 Ų17191 Ų9190%0.89547%0.473SS*.G310 helixtrans-66.9-25.3179.1-162.667.4000113.5P214P214-L216 PolarHBondContact O-N 3.33Å; P214-L216 VanDerWaalsContact O-N 3.12Å
217A59.6Low60Low40 Ų4090 Ų9033%0.33149%0.485SS..G310 helixtrans-91.8-11.5179.700000113.4I213 P214 V215 P219 L220 F221I213-A217 HydrophobicContact CG2-CB 4.35Å; P214-A217 HydrophobicContact CB-CB 4.32Å; P214-A217 PolarHBondContact O-N 2.98Å; V215-A217 VanDerWaalsContact C-N 3.27Å; V215-A217 PolarHBondContact O-N 2.81Å; A217-P219 VanDerWaalsContact C-CD 3.48Å; A217-L220 PolarHBondContact O-N 3.49Å; A217-F221 VanDerWaalsContact O-CB 3.3Å; A217-F221 WeakPolarHBondContact O-CB 3.5Å; A217-F221 PolarHBondContact O-N 2.95Å
218K63.5Low60.1Low103 Ų10393.9 Ų93.945%0.44851%0.505SS..Hα-helixtrans-56.3-42.6-178.3-73.5-176.6176.8-178.80114.4I213 P214 V215 N222I213-K218 HydrophobicContact CB-CG 4.35Å; I213-K218 HydrophobicContact CG2-CG 3.98Å; P214-K218 PolarHBondContact O-N 2.92Å; V215-K218 WeakPolarHBondContact O-CB 3.15Å; V215-K218 PolarHBondContact O-N 3.38Å; K218-N222 VanDerWaalsContact O-CB 3.31Å; K218-N222 WeakPolarHBondContact O-CB 3.5Å; K218-N222 PolarHBondContact O-N 3.37Å; K218-N222 PolarHBondContact O-ND2 3.37Å
219P62.4Low61Low90 Ų9095 Ų9558%0.58450%0.501SS*.Hα-helixtrans-65.3-44.7-179.4-18.731.3000112.1A217 N222 L223A217-P219 VanDerWaalsContact C-CD 3.48Å; P219-N222 PolarHBondContact O-N 3.34Å; P219-L223 PolarHBondContact O-N 2.83Å
220L56.7Low61.5Low109 Ų10991 Ų9157%0.57149%0.487SS*.Hα-helixtrans-67.2-42.9178.6-177.461000111.4A217 N222 L223 I224A217-L220 PolarHBondContact O-N 3.49Å; L220-N222 PolarHBondContact O-N 3.47Å; L220-L223 PolarHBondContact O-N 2.82Å; L220-I224 HydrophobicContact CD1-CD1 3.97Å; L220-I224 HydrophobicContact CD1-CG1 4.3Å; L220-I224 HydrophobicContact CG-CD1 3.82Å; L220-I224 WeakPolarHBondContact O-CB 3.21Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.3Å; L220-I224 PolarHBondContact O-N 2.71Å
221F61.1Low62.9Low79 Ų7989.3 Ų89.335%0.34648%0.482SS..Hα-helixtrans-60.5-43.8174.2-178.6-91.8000111.8I213 A217 L223 I224 S225 F229I213-F221 HydrophobicContact CD1-CD1 3.46Å; I213-F221 VanDerWaalsContact CD1-CD1 3.46Å; I213-F221 HydrophobicContact CD1-CD2 4.21Å; I213-F221 HydrophobicContact CD1-CE1 3.36Å; I213-F221 HydrophobicContact CD1-CE2 4.13Å; I213-F221 HydrophobicContact CD1-CG 3.88Å; I213-F221 HydrophobicContact CD1-CZ 3.71Å; I213-F221 HydrophobicContact CG2-CB 4.39Å; I213-F221 HydrophobicContact CG2-CG 4.48Å; A217-F221 VanDerWaalsContact O-CB 3.3Å; A217-F221 WeakPolarHBondContact O-CB 3.5Å; A217-F221 PolarHBondContact O-N 2.95Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 2.84Å; F221-I224 PolarHBondContact O-N 3.29Å; F221-S225 WeakPolarHBondContact O-CB 3.49Å; F221-S225 PolarHBondContact O-N 3.46Å; F221-S225 PolarHBondContact O-OG 2.86Å; F221-F229 AromaticContact CZ-CE2 3.98Å; F221-F229 HydrophobicContact CZ-CE2 3.98Å; F221-F229 HydrophobicContact CZ-CZ 4.29Å
222N60.5Low64.1Low90 Ų9088.1 Ų88.148%0.48148%0.476SS..Hα-helixtrans-62.5-39176.9-75.7-20.3000111.9K218 P219 L220 S225 R226K218-N222 VanDerWaalsContact O-CB 3.31Å; K218-N222 WeakPolarHBondContact O-CB 3.5Å; K218-N222 PolarHBondContact O-N 3.37Å; K218-N222 PolarHBondContact O-ND2 3.37Å; P219-N222 PolarHBondContact O-N 3.34Å; L220-N222 PolarHBondContact O-N 3.47Å; N222-S225 WeakPolarHBondContact CA-OG 3.49Å; N222-S225 PolarHBondContact O-OG 2.71Å; N222-R226 WeakPolarHBondContact O-CG 3.35Å; N222-R226 PolarHBondContact O-N 3.35Å
223L56.5Low65.4Low118 Ų11885.9 Ų85.962%0.61847%0.466SS*.Hα-helixtrans-67.8-46.4176.7-172.365.6000112.1P219 L220 F221 R226P219-L223 PolarHBondContact O-N 2.83Å; L220-L223 PolarHBondContact O-N 2.82Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 2.84Å; L223-R226 WeakPolarHBondContact O-CB 3.23Å; L223-R226 PolarHBondContact O-N 3.08Å
224I58.1Low66.6Low85 Ų8588 Ų8844%0.43648%0.475SS..Hα-helixtrans-64.9-41.4177.8-67.6169.7000110.8L220 F221 R226 G227 L228L220-I224 HydrophobicContact CD1-CD1 3.97Å; L220-I224 HydrophobicContact CD1-CG1 4.3Å; L220-I224 HydrophobicContact CG-CD1 3.82Å; L220-I224 WeakPolarHBondContact O-CB 3.21Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.3Å; L220-I224 PolarHBondContact O-N 2.71Å; F221-I224 PolarHBondContact O-N 3.29Å; I224-R226 PolarHBondContact O-N 3.23Å; I224-G227 PolarHBondContact O-N 3.42Å; I224-G227 VanDerWaalsContact O-N 3.13Å; I224-L228 HydrophobicContact CG2-CD1 3.6Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 PolarHBondContact O-N 3.05Å; I224-L228 VanDerWaalsContact O-N 3.1Å
225S60.7Low67.8Low7 Ų783.7 Ų83.75%0.04945%0.447CS..Hα-helixtrans-60.5-33.5178.375.10000112.1R204 F221 N222 G227 F229R204-S225 WeakPolarHBondContact CD-O 3.31Å; F221-S225 WeakPolarHBondContact O-CB 3.49Å; F221-S225 PolarHBondContact O-N 3.46Å; F221-S225 PolarHBondContact O-OG 2.86Å; N222-S225 WeakPolarHBondContact CA-OG 3.49Å; N222-S225 PolarHBondContact O-OG 2.71Å; S225-G227 VanDerWaalsContact C-N 3.26Å; S225-G227 PolarHBondContact O-N 3.19Å; S225-F229 VanDerWaalsContact O-CB 3.28Å; S225-F229 WeakPolarHBondContact O-CB 3.41Å; S225-F229 PolarHBondContact O-N 2.62Å
226R60.6Low69.3Low169 Ų16978.2 Ų78.264%0.63841%0.414SS*.Hα-helixtrans-63.5-27.8177.9-78.2170178.3-1640.1113.6R204 N222 L223 I224R204-R226 VanDerWaalsContact NH1-CG 3.31Å; N222-R226 WeakPolarHBondContact O-CG 3.35Å; N222-R226 PolarHBondContact O-N 3.35Å; L223-R226 WeakPolarHBondContact O-CB 3.23Å; L223-R226 PolarHBondContact O-N 3.08Å; I224-R226 PolarHBondContact O-N 3.23Å
227G51.3Low71.1Confident70 Ų7075.1 Ų75.172%0.72240%0.395SS*.Hα-helixtrans-99.7-26.1-179.100000114.7I224 S225I224-G227 PolarHBondContact O-N 3.42Å; I224-G227 VanDerWaalsContact O-N 3.13Å; S225-G227 VanDerWaalsContact C-N 3.26Å; S225-G227 PolarHBondContact O-N 3.19Å
228L60.1Low72.9Confident135 Ų13573.3 Ų73.371%0.70738%0.38SS*.Hα-helixtrans-105.9-22.4-175-66179.9000114.3I224I224-L228 HydrophobicContact CG2-CD1 3.6Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 PolarHBondContact O-N 3.05Å; I224-L228 VanDerWaalsContact O-N 3.1Å
229F76.9Confident74.6Confident57 Ų5768.4 Ų68.425%0.2536%0.358CS..SBendtrans-105.2140.7-176.8-61.5-0.1000109.8I202 R204 F221 S225I202-F229 HydrophobicContact CB-CD1 4.21Å; I202-F229 HydrophobicContact CB-CG 4.47Å; I202-F229 HydrophobicContact CG2-CB 4.3Å; I202-F229 HydrophobicContact CG2-CD1 3.47Å; I202-F229 VanDerWaalsContact CG2-CD1 3.47Å; I202-F229 HydrophobicContact CG2-CD2 3.77Å; I202-F229 HydrophobicContact CG2-CE1 3.62Å; I202-F229 HydrophobicContact CG2-CE2 3.9Å; I202-F229 HydrophobicContact CG2-CG 3.58Å; I202-F229 HydrophobicContact CG2-CZ 3.83Å; R204-F229 HydrophobicContact CG-CB 3.43Å; R204-F229 VanDerWaalsContact CG-CB 3.43Å; R204-F229 HydrophobicContact CG-CD2 4.05Å; R204-F229 HydrophobicContact CG-CG 4.26Å; F221-F229 AromaticContact CZ-CE2 3.98Å; F221-F229 HydrophobicContact CZ-CE2 3.98Å; F221-F229 HydrophobicContact CZ-CZ 4.29Å; S225-F229 VanDerWaalsContact O-CB 3.28Å; S225-F229 WeakPolarHBondContact O-CB 3.41Å; S225-F229 PolarHBondContact O-N 2.62Å
230K77.8Confident76.3Confident46 Ų4665 Ų6520%0.234%0.336CS..BIsolated β-bridgetrans-61.9148.7178.2-67.4-176.3-179.3-178.40111.9P200 I202 V203 R204 E234 D258P200-K230 WeakPolarHBondContact O-CD 3.01Å; P200-K230 PolarHBondContact O-NZ 2.84Å; P200-K230 VanDerWaalsContact O-NZ 3.08Å; I202-K230 PolarHBondContact O-N 2.82Å; V203-K230 WeakPolarHBondContact CA-O 3.38Å; V203-K230 HydrophobicContact CG1-CB 4.47Å; V203-K230 HydrophobicContact CG2-CB 4.16Å; R204-K230 PolarHBondContact N-O 3.28Å; K230-E234 VanDerWaalsContact CA-OE2 3.23Å; K230-E234 WeakPolarHBondContact CA-OE2 3.44Å; K230-E234 HydrophobicContact CB-CB 3.94Å; K230-E234 HydrophobicContact CD-CB 4.34Å; K230-E234 HydrophobicContact CG-CB 4.3Å; K230-D258 IonicContact NZ-OD1 3.09Å; K230-D258 PolarHBondContact NZ-OD1 2.76Å
231S84.8Confident78.3Confident31 Ų3162.3 Ų62.322%0.21732%0.318CS..  trans-67.2157.7164.793.90000110.7V203 E233 E234 G235V203-S231 WeakPolarHBondContact CG1-O 3.46Å; S231-E233 WeakPolarHBondContact CB-OE2 3.41Å; S231-E233 PolarHBondContact O-N 3.25Å; S231-E233 PolarHBondContact OG-N 3.47Å; S231-E233 PolarHBondContact OG-OE2 2.91Å; S231-E234 PolarHBondContact N-OE2 3.04Å; S231-E234 PolarHBondContact O-N 2.81Å; S231-E234 PolarHBondContact OG-N 3.41Å; S231-E234 VanDerWaalsContact OG-N 3.15Å; S231-G235 PolarHBondContact O-N 3.38Å
232P85.9Confident80.1Confident30 Ų3058.7 Ų58.720%0.19530%0.303CS..Hα-helixtrans-52.7-36.7171.2-28.937.7000113.9A22 G235 A236A22-P232 HydrophobicContact CB-CB 4.04Å; A22-P232 WeakPolarHBondContact CB-O 3.48Å; P232-G235 PolarHBondContact O-N 2.91Å; P232-A236 WeakPolarHBondContact O-CB 3.45Å; P232-A236 PolarHBondContact O-N 3.14Å
233E88.8Confident81.9Confident121 Ų12154.5 Ų54.557%0.56528%0.281SS*.Hα-helixtrans-66.6-47178.2-5769.3-148.700111A22 S231 G235 A236 Q237A22-E233 HydrophobicContact CB-CG 4.46Å; S231-E233 WeakPolarHBondContact CB-OE2 3.41Å; S231-E233 PolarHBondContact O-N 3.25Å; S231-E233 PolarHBondContact OG-N 3.47Å; S231-E233 PolarHBondContact OG-OE2 2.91Å; E233-G235 VanDerWaalsContact C-N 3.31Å; E233-G235 PolarHBondContact O-N 3.36Å; E233-A236 PolarHBondContact O-N 2.93Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 2.8Å
234E88.4Confident83.8Confident90 Ų9049.5 Ų49.542%0.42126%0.255SS..Hα-helixtrans-61.8-39.6172.8-67.6174.2143.600111.7K230 S231 A236 Q237K230-E234 VanDerWaalsContact CA-OE2 3.23Å; K230-E234 WeakPolarHBondContact CA-OE2 3.44Å; K230-E234 HydrophobicContact CB-CB 3.94Å; K230-E234 HydrophobicContact CD-CB 4.34Å; K230-E234 HydrophobicContact CG-CB 4.3Å; S231-E234 PolarHBondContact N-OE2 3.04Å; S231-E234 PolarHBondContact O-N 2.81Å; S231-E234 PolarHBondContact OG-N 3.41Å; S231-E234 VanDerWaalsContact OG-N 3.15Å; E234-A236 VanDerWaalsContact C-N 3.3Å; E234-A236 PolarHBondContact O-N 3.42Å; E234-Q237 WeakPolarHBondContact O-CB 3.5Å; E234-Q237 PolarHBondContact O-N 3.37Å
235G88.6Confident85.6Confident0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-66-29.2175.600000113.9S231 P232 E233S231-G235 PolarHBondContact O-N 3.38Å; P232-G235 PolarHBondContact O-N 2.91Å; E233-G235 VanDerWaalsContact C-N 3.31Å; E233-G235 PolarHBondContact O-N 3.36Å
236A95.1Very high87.3Confident2 Ų249.3 Ų49.32%0.01726%0.26CS..Hα-helixtrans-80.7-17.9179.200000113.6I19 A22 T23 P232 E233 E234 T238 S239 V240I19-A236 HydrophobicContact CG2-CB 4.32Å; A22-A236 HydrophobicContact CB-CB 3.82Å; T23-A236 WeakPolarHBondContact OG1-CB 3.19Å; P232-A236 WeakPolarHBondContact O-CB 3.45Å; P232-A236 PolarHBondContact O-N 3.14Å; E233-A236 PolarHBondContact O-N 2.93Å; E234-A236 VanDerWaalsContact C-N 3.3Å; E234-A236 PolarHBondContact O-N 3.42Å; A236-T238 VanDerWaalsContact C-N 3.3Å; A236-T238 PolarHBondContact O-N 2.97Å; A236-S239 WeakPolarHBondContact O-CA 3.39Å; A236-S239 WeakPolarHBondContact O-CB 3.41Å; A236-S239 PolarHBondContact O-N 3.43Å; A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3Å
237Q96.4Very high89Confident106 Ų10646.9 Ų46.950%0.49526%0.259SS..Hα-helixtrans-52.3-45.9-173.9-72.1178.1-8.500113E233 E234 V240 Y241E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 2.8Å; E234-Q237 WeakPolarHBondContact O-CB 3.5Å; E234-Q237 PolarHBondContact O-N 3.37Å; Q237-V240 PolarHBondContact O-N 3.47Å; Q237-Y241 VanDerWaalsContact O-CB 3.28Å; Q237-Y241 WeakPolarHBondContact O-CB 3.23Å; Q237-Y241 PolarHBondContact O-N 3.36Å
238T97.5Very high91.2Very high2 Ų243.7 Ų43.71%0.01223%0.226CC..Hα-helixtrans-69.9-34.6-179.9-53.20000112.1L198 A236 Y241 L242 F256 D258 C259L198-T238 HydrophobicContact CB-CG2 3.63Å; L198-T238 HydrophobicContact CD2-CG2 4.27Å; L198-T238 HydrophobicContact CG-CG2 4.38Å; A236-T238 VanDerWaalsContact C-N 3.3Å; A236-T238 PolarHBondContact O-N 2.97Å; T238-Y241 PolarHBondContact O-N 3.04Å; T238-L242 HydrophobicContact CG2-CD1 4.33Å; T238-L242 WeakPolarHBondContact O-CB 3.29Å; T238-L242 WeakPolarHBondContact O-CG 3.47Å; T238-L242 PolarHBondContact O-N 3.33Å; T238-F256 HydrophobicContact CG2-CB 3.62Å; T238-D258 PolarHBondContact OG1-N 3.15Å; T238-C259 PolarHBondContact OG1-N 3.03Å; T238-C259 VanDerWaalsContact OG1-N 3.11Å
239S98.3Very high92.9Very high0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-63.1-45.5174.1-540000111.1L198 A236 L242 A243L198-S239 WeakPolarHBondContact CD2-OG 3.04Å; A236-S239 WeakPolarHBondContact O-CA 3.39Å; A236-S239 WeakPolarHBondContact O-CB 3.41Å; A236-S239 PolarHBondContact O-N 3.43Å; S239-L242 PolarHBondContact O-N 2.98Å; S239-A243 VanDerWaalsContact O-CB 3.23Å; S239-A243 WeakPolarHBondContact O-CB 3.48Å; S239-A243 PolarHBondContact O-N 2.82Å
240V98.2Very high93.8Very high19 Ų1942 Ų4212%0.11524%0.235CC..Hα-helixtrans-66.7-42.8178.81780000110.8T23 A26 I27 L30 A236 Q237 A243 S244T23-V240 HydrophobicContact CG2-CG2 4.2Å; A26-V240 HydrophobicContact CB-CG1 4.28Å; A26-V240 HydrophobicContact CB-CG2 3.5Å; I27-V240 HydrophobicContact CD1-CG1 4.35Å; L30-V240 HydrophobicContact CD1-CG1 3.7Å; A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3Å; Q237-V240 PolarHBondContact O-N 3.47Å; V240-A243 PolarHBondContact O-N 3.23Å; V240-S244 WeakPolarHBondContact O-CB 3.37Å; V240-S244 PolarHBondContact O-N 3.02Å; V240-S244 PolarHBondContact O-OG 3Å
241Y98.3Very high94.7Very high52 Ų5242 Ų4220%0.20424%0.239CC..Hα-helixtrans-58.2-49.9176175.6-102.6000111.5Q237 T238 A243 S244 S245 D247 V248 F256 C259Q237-Y241 VanDerWaalsContact O-CB 3.28Å; Q237-Y241 WeakPolarHBondContact O-CB 3.23Å; Q237-Y241 PolarHBondContact O-N 3.36Å; T238-Y241 PolarHBondContact O-N 3.04Å; Y241-A243 VanDerWaalsContact C-N 3.3Å; Y241-A243 PolarHBondContact O-N 3.23Å; Y241-S244 PolarHBondContact O-N 3.43Å; Y241-S245 VanDerWaalsContact CD2-CB 3.47Å; Y241-S245 WeakPolarHBondContact CE2-OG 3.34Å; Y241-S245 WeakPolarHBondContact O-CB 3.31Å; Y241-S245 PolarHBondContact O-N 2.92Å; Y241-D247 HydrophobicContact CE2-CB 4.25Å; Y241-D247 WeakPolarHBondContact OH-CB 3.3Å; Y241-V248 HydrophobicContact CD1-CG1 4.2Å; Y241-V248 HydrophobicContact CE1-CG1 3.36Å; Y241-F256 HydrophobicContact CE1-CD1 4.25Å; Y241-F256 HydrophobicContact CE1-CE1 4.07Å; Y241-C259 VanDerWaalsContact CB-SG 3.56Å; Y241-C259 HydrophobicContact CD1-CB 3.85Å; Y241-C259 HydrophobicContact CD2-CB 4.13Å; Y241-C259 HydrophobicContact CE1-CB 4.23Å; Y241-C259 WeakPolarHBondContact CE1-O 3.3Å; Y241-C259 HydrophobicContact CE2-CB 4.5Å; Y241-C259 HydrophobicContact CG-CB 3.79Å
242L98.5Very high95.3Very high3 Ų343.4 Ų43.42%0.01624%0.242CC..Hα-helixtrans-64.8-34.6177.6-70.9177.5000112.9R139 V141 N196 L198 T238 S239 V248 F256R139-L242 WeakPolarHBondContact CD-O 3.48Å; R139-L242 PolarHBondContact NH1-O 3.26Å; V141-L242 HydrophobicContact CG1-CB 4.08Å; V141-L242 HydrophobicContact CG1-CD1 4.03Å; V141-L242 HydrophobicContact CG2-CB 3.82Å; N196-L242 HydrophobicContact CB-CD1 4.25Å; N196-L242 HydrophobicContact CB-CD2 4.23Å; L198-L242 HydrophobicContact CB-CD1 3.98Å; L198-L242 HydrophobicContact CD2-CD1 3.94Å; T238-L242 HydrophobicContact CG2-CD1 4.33Å; T238-L242 WeakPolarHBondContact O-CB 3.29Å; T238-L242 WeakPolarHBondContact O-CG 3.47Å; T238-L242 PolarHBondContact O-N 3.33Å; S239-L242 PolarHBondContact O-N 2.98Å; L242-V248 HydrophobicContact CD2-CB 4.49Å; L242-V248 HydrophobicContact CD2-CG1 4.2Å; L242-V248 HydrophobicContact CD2-CG2 4.4Å; L242-F256 HydrophobicContact CD1-CB 4.28Å; L242-F256 HydrophobicContact CD1-CD2 4.17Å; L242-F256 HydrophobicContact CD1-CG 4.38Å; L242-F256 HydrophobicContact CD2-CD1 4.23Å; L242-F256 HydrophobicContact CD2-CD2 3.64Å; L242-F256 HydrophobicContact CD2-CE1 4.29Å; L242-F256 HydrophobicContact CD2-CE2 3.68Å; L242-F256 HydrophobicContact CD2-CG 3.93Å; L242-F256 HydrophobicContact CD2-CZ 4.03Å; L242-F256 HydrophobicContact CG-CD2 4.44Å; L242-F256 HydrophobicContact CG-CG 4.49Å
243A98.2Very high95.8Very high2 Ų243 Ų432%0.01724%0.244CC..Hα-helixtrans-73.4-29.2178.700000114I27 V91 I93 S239 V240 Y241I27-A243 HydrophobicContact CD1-CB 3.84Å; V91-A243 HydrophobicContact CG1-CB 3.88Å; I93-A243 HydrophobicContact CD1-CB 3.99Å; S239-A243 VanDerWaalsContact O-CB 3.23Å; S239-A243 WeakPolarHBondContact O-CB 3.48Å; S239-A243 PolarHBondContact O-N 2.82Å; V240-A243 PolarHBondContact O-N 3.23Å; Y241-A243 VanDerWaalsContact C-N 3.3Å; Y241-A243 PolarHBondContact O-N 3.23Å
244S97.4Very high96.3Very high12 Ų1243 Ų438%0.08424%0.242CC..Hα-helixtrans-131.7-20.9-163.967.30000116.7M5 V240 Y241M5-S244 WeakPolarHBondContact SD-CB 3.31Å; V240-S244 WeakPolarHBondContact O-CB 3.37Å; V240-S244 PolarHBondContact O-N 3.02Å; V240-S244 PolarHBondContact O-OG 3Å; Y241-S244 PolarHBondContact O-N 3.43Å
245S96.8Very high96.8Very high12 Ų1238.8 Ų38.88%0.08422%0.222CC..  trans-76.2135.1-173.8-173.60000111.5R139 Y241 D247 V248R139-S245 VanDerWaalsContact CZ-O 3.3Å; R139-S245 PolarHBondContact NH1-O 3.28Å; R139-S245 PolarHBondContact NH2-O 3.47Å; Y241-S245 VanDerWaalsContact CD2-CB 3.47Å; Y241-S245 WeakPolarHBondContact CE2-OG 3.34Å; Y241-S245 WeakPolarHBondContact O-CB 3.31Å; Y241-S245 PolarHBondContact O-N 2.92Å; S245-D247 PolarHBondContact O-N 2.81Å; S245-D247 WeakPolarHBondContact OG-CB 3.44Å; S245-D247 PolarHBondContact OG-N 2.98Å; S245-D247 PolarHBondContact OG-OD2 3.07Å; S245-V248 WeakPolarHBondContact O-CG2 3.41Å
246P95.6Very high97.2Very high77 Ų7739 Ų3950%0.522%0.223SC..G310 helixtrans-67.1-20.9170.328.4-34.8000112.8V248 D249P246-V248 PolarHBondContact O-N 3.12Å; P246-D249 WeakPolarHBondContact CA-OD2 3.46Å; P246-D249 WeakPolarHBondContact O-CB 3.42Å; P246-D249 PolarHBondContact O-N 3.3Å
247D96.6Very high97.2Very high117 Ų11739.4 Ų39.463%0.62623%0.227SC*.G310 helixtrans-62.2-17.5-179.4-59.5-24000113.7Y241 S245Y241-D247 HydrophobicContact CE2-CB 4.25Å; Y241-D247 WeakPolarHBondContact OH-CB 3.3Å; S245-D247 PolarHBondContact O-N 2.81Å; S245-D247 WeakPolarHBondContact OG-CB 3.44Å; S245-D247 PolarHBondContact OG-N 2.98Å; S245-D247 PolarHBondContact OG-OD2 3.07Å
248V96.8Very high97.1Very high3 Ų338.5 Ų38.52%0.01823%0.226CC..G310 helixtrans-113.114.9179-62.30000112.7Y241 L242 S245 P246 G250 V251 F256Y241-V248 HydrophobicContact CD1-CG1 4.2Å; Y241-V248 HydrophobicContact CE1-CG1 3.36Å; L242-V248 HydrophobicContact CD2-CB 4.49Å; L242-V248 HydrophobicContact CD2-CG1 4.2Å; L242-V248 HydrophobicContact CD2-CG2 4.4Å; S245-V248 WeakPolarHBondContact O-CG2 3.41Å; P246-V248 PolarHBondContact O-N 3.12Å; V248-G250 PolarHBondContact O-N 2.74Å; V248-V251 HydrophobicContact CB-CB 4.25Å; V248-V251 HydrophobicContact CB-CG2 4.34Å; V248-V251 WeakPolarHBondContact O-CB 3.42Å; V248-V251 PolarHBondContact O-N 3.01Å; V248-V251 VanDerWaalsContact O-N 3.14Å; V248-F256 HydrophobicContact CG1-CE1 4.08Å; V248-F256 HydrophobicContact CG1-CZ 3.99Å
249D95.8Very high97Very high95 Ų9540.1 Ų40.151%0.50824%0.236SC..THydrogen-bonded Turntrans-58.5128.4170.7-81.4-31.7000110.5R139 P246 V251R139-D249 IonicContact CZ-OD1 3.25Å; R139-D249 IonicContact NE-OD1 3.53Å; R139-D249 IonicContact NH2-OD1 2.66Å; R139-D249 PolarHBondContact NH2-OD1 3.44Å; P246-D249 WeakPolarHBondContact CA-OD2 3.46Å; P246-D249 WeakPolarHBondContact O-CB 3.42Å; P246-D249 PolarHBondContact O-N 3.3Å; D249-V251 PolarHBondContact O-N 2.95Å; D249-V251 VanDerWaalsContact O-N 3.09Å
250G95.2Very high96.9Very high63 Ų6347.2 Ų47.265%0.64927%0.267SS*.THydrogen-bonded Turntrans71.4-6.3-177.700000115.3V248V248-G250 PolarHBondContact O-N 2.74Å
251V97.8Very high96.9Very high45 Ų4550.8 Ų50.827%0.27329%0.291SS..  trans-71.5131.7173.9179.50000108.7T194 N196 V248 D249 K254 F256T194-V251 WeakPolarHBondContact CB-O 3.38Å; N196-V251 PolarHBondContact ND2-O 3.3Å; V248-V251 HydrophobicContact CB-CB 4.25Å; V248-V251 HydrophobicContact CB-CG2 4.34Å; V248-V251 WeakPolarHBondContact O-CB 3.42Å; V248-V251 PolarHBondContact O-N 3.01Å; V248-V251 VanDerWaalsContact O-N 3.14Å; D249-V251 PolarHBondContact O-N 2.95Å; D249-V251 VanDerWaalsContact O-N 3.09Å; V251-K254 HydrophobicContact CG1-CB 4.39Å; V251-K254 HydrophobicContact CG1-CG 3.98Å; V251-F256 HydrophobicContact CG1-CE2 4.27Å; V251-F256 HydrophobicContact CG1-CZ 4.05Å
252Q97.3Very high96.7Very high60 Ų6050.2 Ų50.228%0.2829%0.29SS..  trans-148.5160.4178.162.8173.3-11.400112.3A185 T194 A195 N196 K254A185-Q252 HydrophobicContact CB-CB 4.03Å; A185-Q252 HydrophobicContact CB-CG 4.29Å; A185-Q252 PolarHBondContact O-OE1 3.47Å; T194-Q252 HydrophobicContact CG2-CB 4.33Å; A195-Q252 WeakPolarHBondContact O-CA 3.49Å; N196-Q252 VanDerWaalsContact OD1-CA 3.27Å; N196-Q252 WeakPolarHBondContact OD1-CA 3.35Å; Q252-K254 PolarHBondContact O-N 3.2Å
253G97.3Very high96.5Very high23 Ų2358.8 Ų58.824%0.23733%0.33CS..SBendtrans68.917.2176.800000113.7A195 N196A195-G253 PolarHBondContact O-N 2.94Å; N196-G253 PolarHBondContact OD1-N 3.34Å
254K98.1Very high96.3Very high119 Ų11960 Ų6052%0.51734%0.337SS..  trans-107.6155.3-179.6-59.8-57.4-180-1750111.3N196 A197 V251 Q252 F256N196-K254 WeakPolarHBondContact CA-O 3.47Å; N196-K254 PolarHBondContact OD1-N 3.13Å; N196-K254 VanDerWaalsContact OD1-N 3.11Å; A197-K254 PolarHBondContact N-O 3.01Å; V251-K254 HydrophobicContact CG1-CB 4.39Å; V251-K254 HydrophobicContact CG1-CG 3.98Å; Q252-K254 PolarHBondContact O-N 3.2Å; K254-F256 HydrophobicContact CB-CD2 4.25Å; K254-F256 HydrophobicContact CB-CE2 3.65Å; K254-F256 HydrophobicContact CB-CZ 4.44Å
255C98.1Very high96.3Very high2 Ų263.2 Ų63.21%0.01435%0.352CS..EExtended strand (participates in β ladder)trans-107.7142.4167-166.80000109.7L178 A197 P261 M262 L264L178-C255 HydrophobicContact CD2-CB 4.17Å; A197-C255 HydrophobicContact CB-CB 4.28Å; A197-C255 CarbonylContact O-C 3.51Å; A197-C255 VanDerWaalsContact O-CA 3.28Å; A197-C255 WeakPolarHBondContact O-CA 3.31Å; C255-P261 WeakPolarHBondContact O-CA 3.41Å; C255-M262 HydrophobicContact CB-CG 3.83Å; C255-M262 HydrophobicContact CB-SD 4.31Å; C255-M262 WeakPolarHBondContact O-CG 3.33Å; C255-M262 PolarHBondContact O-N 2.92Å; C255-L264 HydrophobicContact CB-CD1 3.9Å; C255-L264 HydrophobicContact CB-CD2 3.73Å; C255-L264 HydrophobicContact CB-CG 4.02Å
256F98.4Very high96.4Very high4 Ų469.2 Ų69.22%0.01838%0.383CS..EExtended strand (participates in β ladder)trans-120.9150.6-179.6-71.7-110.2000112.5N196 A197 L198 T199 T238 Y241 L242 V248 V251 K254 K260 P261N196-F256 HydrophobicContact CB-CE2 4.44Å; A197-F256 PolarHBondContact O-N 2.87Å; L198-F256 CarbonylContact C-O 3.52Å; L198-F256 WeakPolarHBondContact CA-O 3.3Å; L198-F256 HydrophobicContact CB-CB 4.48Å; T199-F256 PolarHBondContact N-O 3.42Å; T238-F256 HydrophobicContact CG2-CB 3.62Å; Y241-F256 HydrophobicContact CE1-CD1 4.25Å; Y241-F256 HydrophobicContact CE1-CE1 4.07Å; L242-F256 HydrophobicContact CD1-CB 4.28Å; L242-F256 HydrophobicContact CD1-CD2 4.17Å; L242-F256 HydrophobicContact CD1-CG 4.38Å; L242-F256 HydrophobicContact CD2-CD1 4.23Å; L242-F256 HydrophobicContact CD2-CD2 3.64Å; L242-F256 HydrophobicContact CD2-CE1 4.29Å; L242-F256 HydrophobicContact CD2-CE2 3.68Å; L242-F256 HydrophobicContact CD2-CG 3.93Å; L242-F256 HydrophobicContact CD2-CZ 4.03Å; L242-F256 HydrophobicContact CG-CD2 4.44Å; L242-F256 HydrophobicContact CG-CG 4.49Å; V248-F256 HydrophobicContact CG1-CE1 4.08Å; V248-F256 HydrophobicContact CG1-CZ 3.99Å; V251-F256 HydrophobicContact CG1-CE2 4.27Å; V251-F256 HydrophobicContact CG1-CZ 4.05Å; K254-F256 HydrophobicContact CB-CD2 4.25Å; K254-F256 HydrophobicContact CB-CE2 3.65Å; K254-F256 HydrophobicContact CB-CZ 4.44Å; F256-K260 CarbonylContact C-O 3.46Å; F256-K260 WeakPolarHBondContact CA-O 3.49Å; F256-K260 WeakPolarHBondContact CB-O 3.39Å; F256-K260 WeakPolarHBondContact CD1-O 3.39Å; F256-P261 HydrophobicContact CD1-CG 4.3Å; F256-P261 HydrophobicContact CE1-CB 4.47Å; F256-P261 HydrophobicContact CE1-CG 3.72Å; F256-P261 HydrophobicContact CZ-CG 4.05Å
257A94.3Very high96.4Very high12 Ų1268.7 Ų68.710%0.09937%0.373CS..EExtended strand (participates in β ladder)trans-140.7137.5164.600000108.2C259 K260 M262A257-C259 PolarHBondContact O-N 2.94Å; A257-K260 PolarHBondContact N-O 2.85Å; A257-K260 PolarHBondContact O-N 2.85Å; A257-K260 VanDerWaalsContact O-O 3.06Å; A257-M262 HydrophobicContact CB-CB 4.45Å; A257-M262 HydrophobicContact CB-SD 4.05Å
258D93.8Very high96.4Very high87 Ų8763.1 Ų63.147%0.46534%0.343SS..THydrogen-bonded Turntrans55.140.7179.1-55.3-51.5000112.4K230 T238 K260K230-D258 IonicContact NZ-OD1 3.09Å; K230-D258 PolarHBondContact NZ-OD1 2.76Å; T238-D258 PolarHBondContact OG1-N 3.15Å; D258-K260 PolarHBondContact O-N 3.38Å; D258-K260 VanDerWaalsContact O-N 3.15Å
259C96.6Very high96.4Very high35 Ų3566.4 Ų66.424%0.23636%0.363CS..THydrogen-bonded Turntrans58.920-177.1-53.30000114.7T238 Y241 A257T238-C259 PolarHBondContact OG1-N 3.03Å; T238-C259 VanDerWaalsContact OG1-N 3.11Å; Y241-C259 VanDerWaalsContact CB-SG 3.56Å; Y241-C259 HydrophobicContact CD1-CB 3.85Å; Y241-C259 HydrophobicContact CD2-CB 4.13Å; Y241-C259 HydrophobicContact CE1-CB 4.23Å; Y241-C259 WeakPolarHBondContact CE1-O 3.3Å; Y241-C259 HydrophobicContact CE2-CB 4.5Å; Y241-C259 HydrophobicContact CG-CB 3.79Å; A257-C259 PolarHBondContact O-N 2.94Å
260K96.6Very high96.5Very high150 Ų15065 Ų6565%0.65236%0.356SS*.EExtended strand (participates in β ladder)trans-123.3146.7175.7-66.1-179.1-178.3-179.50111.1F256 A257 D258 M262F256-K260 CarbonylContact C-O 3.46Å; F256-K260 WeakPolarHBondContact CA-O 3.49Å; F256-K260 WeakPolarHBondContact CB-O 3.39Å; F256-K260 WeakPolarHBondContact CD1-O 3.39Å; A257-K260 PolarHBondContact N-O 2.85Å; A257-K260 PolarHBondContact O-N 2.85Å; A257-K260 VanDerWaalsContact O-O 3.06Å; D258-K260 PolarHBondContact O-N 3.38Å; D258-K260 VanDerWaalsContact O-N 3.15Å; K260-M262 PolarHBondContact O-N 3.41Å
261P96.7Very high96.7Very high94 Ų9468 Ų6861%0.6135%0.353SS*.EExtended strand (participates in β ladder)trans-55.9137.9170.8-22.632.9000110.4C255 F256C255-P261 WeakPolarHBondContact O-CA 3.41Å; F256-P261 HydrophobicContact CD1-CG 4.3Å; F256-P261 HydrophobicContact CE1-CB 4.47Å; F256-P261 HydrophobicContact CE1-CG 3.72Å; F256-P261 HydrophobicContact CZ-CG 4.05Å
262M93.9Very high96.7Very high39 Ų3973.8 Ų73.819%0.19238%0.377CS..EExtended strand (participates in β ladder)trans-114144.4174.168177.5-71.400110.6Y148 T199 C255 A257 K260 L264Y148-M262 HydrophobicContact CE1-CE 4.23Å; T199-M262 HydrophobicContact CG2-CE 4.4Å; T199-M262 HydrophobicContact CG2-SD 3.79Å; T199-M262 PolarHBondContact OG1-SD 3.32Å; T199-M262 VanDerWaalsContact OG1-SD 3.4Å; C255-M262 HydrophobicContact CB-CG 3.83Å; C255-M262 HydrophobicContact CB-SD 4.31Å; C255-M262 WeakPolarHBondContact O-CG 3.33Å; C255-M262 PolarHBondContact O-N 2.92Å; A257-M262 HydrophobicContact CB-CB 4.45Å; A257-M262 HydrophobicContact CB-SD 4.05Å; K260-M262 PolarHBondContact O-N 3.41Å; M262-L264 HydrophobicContact CE-CD2 4.18Å; M262-L264 HydrophobicContact CG-CD2 4.34Å
263E94.5Very high96.7Very high184 Ų18472.6 Ų72.686%0.8637%0.374SS*.  trans-73.2136.9170.9-165.6173.9-175.400110.2
264L95.7Very high96.8Very high28 Ų2871.7 Ų71.715%0.14736%0.364CS..  trans-104.4154.1179.2-66.2-177000110.1Y148 L178 C255 M262 A268 T269Y148-L264 HydrophobicContact CE1-CD2 3.9Å; Y148-L264 WeakPolarHBondContact OH-CA 3.09Å; Y148-L264 WeakPolarHBondContact OH-CD2 3.24Å; L178-L264 HydrophobicContact CD1-CD1 4.34Å; L178-L264 HydrophobicContact CD1-CD2 3.89Å; C255-L264 HydrophobicContact CB-CD1 3.9Å; C255-L264 HydrophobicContact CB-CD2 3.73Å; C255-L264 HydrophobicContact CB-CG 4.02Å; M262-L264 HydrophobicContact CE-CD2 4.18Å; M262-L264 HydrophobicContact CG-CD2 4.34Å; L264-A268 HydrophobicContact CB-CB 4.23Å; L264-A268 HydrophobicContact CD1-CB 4.32Å; L264-T269 HydrophobicContact CB-CG2 4Å; L264-T269 HydrophobicContact CD1-CG2 3.82Å
265L97.2Very high96.8Very high78 Ų7867.9 Ų67.941%0.40835%0.353SS..  trans-68.1147.8166.2-59.4179.6000109.6Y148 K149 K267 A268Y148-L265 HydrophobicContact CE2-CB 4.2Å; Y148-L265 HydrophobicContact CE2-CD1 4.31Å; Y148-L265 HydrophobicContact CE2-CG 4.16Å; Y148-L265 PolarHBondContact OH-N 2.85Å; K149-L265 HydrophobicContact CB-CD1 3.98Å; K149-L265 HydrophobicContact CD-CD1 4.49Å; K149-L265 HydrophobicContact CG-CD1 3.8Å; K149-L265 HydrophobicContact CG-CG 4.38Å; L265-K267 HydrophobicContact CB-CG 4.21Å; L265-K267 PolarHBondContact O-N 3.09Å; L265-K267 VanDerWaalsContact O-N 3.08Å; L265-A268 WeakPolarHBondContact O-CB 3.36Å; L265-A268 PolarHBondContact O-N 3.3Å
266D97.6Very high96.8Very high138 Ų13872.9 Ų72.974%0.73837%0.374SS*.G310 helixtrans-49-42.2-177.4-59.5-20.3000113.2A268 T269 D270D266-A268 PolarHBondContact O-N 3.23Å; D266-T269 CarbonylContact O-C 3.59Å; D266-T269 PolarHBondContact O-N 3.15Å; D266-T269 PolarHBondContact O-OG1 2.97Å; D266-T269 VanDerWaalsContact O-OG1 3.1Å; D266-D270 PolarHBondContact O-N 3.23Å
267K96.9Very high96.8Very high66 Ų6672.8 Ų72.829%0.28737%0.374SS..G310 helixtrans-59.5-20.7178.169.1173.3177.7-178.40115.2K149 G151 L175 L265K149-K267 WeakPolarHBondContact O-CE 3.35Å; K149-K267 PolarHBondContact O-NZ 3.27Å; G151-K267 PolarHBondContact O-NZ 3.05Å; L175-K267 HydrophobicContact CD1-CG 4.4Å; L175-K267 HydrophobicContact CD2-CD 4.39Å; L265-K267 HydrophobicContact CB-CG 4.21Å; L265-K267 PolarHBondContact O-N 3.09Å; L265-K267 VanDerWaalsContact O-N 3.08Å
268A96.8Very high97Very high0 Ų073 Ų730%037%0.372CS..G310 helixtrans-91.1-7.7178.300000112.9Y148 L175 L178 L264 L265 D266Y148-A268 HydrophobicContact CD2-CB 3.96Å; Y148-A268 HydrophobicContact CE2-CB 3.74Å; L175-A268 HydrophobicContact CD1-CB 3.68Å; L178-A268 HydrophobicContact CB-CB 4.25Å; L178-A268 HydrophobicContact CD1-CB 3.83Å; L264-A268 HydrophobicContact CB-CB 4.23Å; L264-A268 HydrophobicContact CD1-CB 4.32Å; L265-A268 WeakPolarHBondContact O-CB 3.36Å; L265-A268 PolarHBondContact O-N 3.3Å; D266-A268 PolarHBondContact O-N 3.23Å
269T96.8Very high97.2Very high72 Ų7272.5 Ų72.544%0.44237%0.369SS..SBendtrans-122.110.4176.352.50000112.2L264 D266 Q271L264-T269 HydrophobicContact CB-CG2 4Å; L264-T269 HydrophobicContact CD1-CG2 3.82Å; D266-T269 CarbonylContact O-C 3.59Å; D266-T269 PolarHBondContact O-N 3.15Å; D266-T269 PolarHBondContact O-OG1 2.97Å; D266-T269 VanDerWaalsContact O-OG1 3.1Å; T269-Q271 PolarHBondContact O-N 2.95Å
270D98.1Very high97.3Very high65 Ų6573.1 Ų73.135%0.34837%0.37SS..  trans-67.2113.4177.6-173.5-46.5000110.1L179 D266 E272 V273 A274L179-D270 WeakPolarHBondContact CD2-O 3.34Å; D266-D270 PolarHBondContact O-N 3.23Å; D270-E272 PolarHBondContact OD1-N 3.27Å; D270-V273 HydrophobicContact CB-CB 4.06Å; D270-V273 HydrophobicContact CB-CG2 4.09Å; D270-V273 PolarHBondContact OD1-N 3.39Å; D270-A274 VanDerWaalsContact O-CB 3.24Å; D270-A274 WeakPolarHBondContact O-CB 3.13Å; D270-A274 PolarHBondContact O-N 3.2Å
271Q97.6Very high97.4Very high126 Ų12666 Ų6659%0.58934%0.339SS*.Hα-helixtrans-70.1-36-174.5-174.9177.5-12.500112.7T269 A274 S275T269-Q271 PolarHBondContact O-N 2.95Å; Q271-A274 PolarHBondContact O-N 2.88Å; Q271-S275 WeakPolarHBondContact O-CB 3.08Å; Q271-S275 PolarHBondContact O-N 3.37Å
272E98.1Very high97.5Very high167 Ų16763.3 Ų63.378%0.7832%0.318SS*.Hα-helixtrans-69.3-44.3-179.6-66.4-173.9178.600110.3D270 A274 S275 K276D270-E272 PolarHBondContact OD1-N 3.27Å; E272-A274 VanDerWaalsContact C-N 3.35Å; E272-S275 PolarHBondContact O-N 3.29Å; E272-K276 WeakPolarHBondContact O-CB 3.46Å; E272-K276 PolarHBondContact O-N 3Å
273V98.4Very high97.6Very high36 Ų3666.1 Ų66.122%0.21834%0.337CS..Hα-helixtrans-63.7-42.3175178.50000110.6I153 F155 L179 D270 K276 L277I153-V273 HydrophobicContact CB-CG1 4.14Å; I153-V273 HydrophobicContact CG1-CG1 4.08Å; I153-V273 HydrophobicContact CG2-CG1 4.44Å; F155-V273 HydrophobicContact CE2-CG1 4.05Å; F155-V273 HydrophobicContact CZ-CG1 3.93Å; L179-V273 HydrophobicContact CD1-CG1 3.76Å; L179-V273 HydrophobicContact CD2-CB 4.48Å; L179-V273 HydrophobicContact CD2-CG1 4.37Å; D270-V273 HydrophobicContact CB-CB 4.06Å; D270-V273 HydrophobicContact CB-CG2 4.09Å; D270-V273 PolarHBondContact OD1-N 3.39Å; V273-K276 PolarHBondContact O-N 3.02Å; V273-L277 VanDerWaalsContact O-CB 3.23Å; V273-L277 WeakPolarHBondContact O-CB 3.27Å; V273-L277 PolarHBondContact O-N 3.03Å
274A98.6Very high97.8Very high4 Ų459.1 Ų59.13%0.03331%0.305CS..Hα-helixtrans-63.8-45.6179.200000112.3L179 E183 D270 Q271 E272 L277 W278L179-A274 HydrophobicContact CB-CB 4.01Å; L179-A274 HydrophobicContact CD2-CB 3.86Å; E183-A274 HydrophobicContact CB-CB 4.04Å; D270-A274 VanDerWaalsContact O-CB 3.24Å; D270-A274 WeakPolarHBondContact O-CB 3.13Å; D270-A274 PolarHBondContact O-N 3.2Å; Q271-A274 PolarHBondContact O-N 2.88Å; E272-A274 VanDerWaalsContact C-N 3.35Å; A274-L277 PolarHBondContact O-N 3.41Å; A274-W278 WeakPolarHBondContact O-CB 3.18Å; A274-W278 PolarHBondContact O-N 3.14Å
275S98.4Very high97.9Very high39 Ų3957.9 Ų57.927%0.27330%0.299SS..Hα-helixtrans-62.5-47.8176.2-170.10000111.2Q271 E272 L277 W278 D279Q271-S275 WeakPolarHBondContact O-CB 3.08Å; Q271-S275 PolarHBondContact O-N 3.37Å; E272-S275 PolarHBondContact O-N 3.29Å; S275-L277 VanDerWaalsContact C-N 3.33Å; S275-L277 PolarHBondContact O-N 3.21Å; S275-W278 WeakPolarHBondContact O-CB 3.41Å; S275-W278 PolarHBondContact O-N 2.78Å; S275-W278 VanDerWaalsContact O-N 3.14Å; S275-D279 PolarHBondContact O-N 3.14Å
276K98.5Very high97.9Very high106 Ų10656.3 Ų56.346%0.46130%0.302SS..Hα-helixtrans-62.4-40.7179.2-175.8175.7177.1-179.10112.3F155 E272 V273 W278 I280F155-K276 HydrophobicContact CD1-CD 4.21Å; F155-K276 HydrophobicContact CD1-CG 4.22Å; F155-K276 HydrophobicContact CD2-CD 4Å; F155-K276 HydrophobicContact CE1-CB 4.2Å; F155-K276 HydrophobicContact CE1-CD 4.02Å; F155-K276 HydrophobicContact CE1-CG 3.75Å; F155-K276 HydrophobicContact CE2-CD 3.8Å; F155-K276 HydrophobicContact CE2-CG 4.33Å; F155-K276 HydrophobicContact CG-CD 4.19Å; F155-K276 HydrophobicContact CZ-CB 3.91Å; F155-K276 HydrophobicContact CZ-CD 3.79Å; F155-K276 HydrophobicContact CZ-CG 3.8Å; E272-K276 WeakPolarHBondContact O-CB 3.46Å; E272-K276 PolarHBondContact O-N 3Å; V273-K276 PolarHBondContact O-N 3.02Å; K276-W278 VanDerWaalsContact C-N 3.33Å; K276-I280 HydrophobicContact CG-CD1 4Å; K276-I280 WeakPolarHBondContact O-CG1 3.44Å; K276-I280 PolarHBondContact O-N 2.96Å; K276-I280 VanDerWaalsContact O-N 3.12Å
277L98.6Very high97.6Very high3 Ų351.1 Ų51.12%0.01627%0.274CS..Hα-helixtrans-64.8-37.6175.5179.963.3000111.7F114 I153 F155 L158 A176 L179 V273 A274 S275 S281F114-L277 HydrophobicContact CE2-CD1 4.47Å; F114-L277 HydrophobicContact CZ-CD1 4.19Å; I153-L277 HydrophobicContact CD1-CD2 4.31Å; I153-L277 HydrophobicContact CG2-CD1 4.34Å; F155-L277 HydrophobicContact CE1-CB 4.16Å; F155-L277 HydrophobicContact CE1-CD1 4.49Å; F155-L277 HydrophobicContact CZ-CB 4.35Å; L158-L277 HydrophobicContact CD2-CD1 4.49Å; A176-L277 HydrophobicContact CB-CD2 3.79Å; L179-L277 HydrophobicContact CB-CD2 4.16Å; L179-L277 HydrophobicContact CD1-CD2 4.1Å; V273-L277 VanDerWaalsContact O-CB 3.23Å; V273-L277 WeakPolarHBondContact O-CB 3.27Å; V273-L277 PolarHBondContact O-N 3.03Å; A274-L277 PolarHBondContact O-N 3.41Å; S275-L277 VanDerWaalsContact C-N 3.33Å; S275-L277 PolarHBondContact O-N 3.21Å; L277-S281 VanDerWaalsContact O-CB 3.26Å; L277-S281 WeakPolarHBondContact O-CB 3.45Å; L277-S281 PolarHBondContact O-N 2.83Å; L277-S281 PolarHBondContact O-OG 2.61Å
278W98.6Very high96.2Very high17 Ų1752.8 Ų52.86%0.06429%0.289CS..Hα-helixtrans-59.8-54.1174.9-174.9-72.7000111.3F122 F180 E183 L184 R187 A274 S275 K276 I280 S281 E282F122-W278 AromaticContact CE2-CD2 3.7Å; F122-W278 HydrophobicContact CE2-CD2 3.7Å; F122-W278 AromaticContact CE2-CE2 3.98Å; F122-W278 AromaticContact CE2-CE3 3.78Å; F122-W278 HydrophobicContact CE2-CE3 3.78Å; F122-W278 HydrophobicContact CE2-CG 4.12Å; F122-W278 HydrophobicContact CE2-CH2 4.42Å; F122-W278 HydrophobicContact CE2-CZ2 4.34Å; F122-W278 HydrophobicContact CE2-CZ3 4.15Å; F122-W278 AromaticContact CZ-CD2 3.97Å; F122-W278 HydrophobicContact CZ-CD2 3.97Å; F122-W278 AromaticContact CZ-CE2 3.86Å; F122-W278 HydrophobicContact CZ-CE3 4.48Å; F122-W278 HydrophobicContact CZ-CG 4.19Å; F122-W278 HydrophobicContact CZ-CZ2 4.3Å; F122-W278 AromaticContact CZ-NE1 3.98Å; F180-W278 HydrophobicContact CD2-CE3 4.09Å; F180-W278 AromaticContact CD2-CZ3 3.77Å; F180-W278 HydrophobicContact CD2-CZ3 3.77Å; F180-W278 HydrophobicContact CE2-CE3 4.34Å; F180-W278 HydrophobicContact CE2-CH2 4.17Å; F180-W278 AromaticContact CE2-CZ3 3.66Å; F180-W278 HydrophobicContact CE2-CZ3 3.66Å; E183-W278 HydrophobicContact CB-CE3 4.01Å; E183-W278 HydrophobicContact CG-CB 4.02Å; E183-W278 HydrophobicContact CG-CD2 3.93Å; E183-W278 HydrophobicContact CG-CE3 3.53Å; E183-W278 HydrophobicContact CG-CG 4.16Å; E183-W278 HydrophobicContact CG-CZ3 4.29Å; L184-W278 HydrophobicContact CB-CH2 4.37Å; L184-W278 HydrophobicContact CB-CZ3 3.87Å; L184-W278 HydrophobicContact CD1-CH2 3.74Å; L184-W278 HydrophobicContact CD1-CZ3 4.12Å; R187-W278 VanDerWaalsContact CZ-CD1 3.45Å; A274-W278 WeakPolarHBondContact O-CB 3.18Å; A274-W278 PolarHBondContact O-N 3.14Å; S275-W278 WeakPolarHBondContact O-CB 3.41Å; S275-W278 PolarHBondContact O-N 2.78Å; S275-W278 VanDerWaalsContact O-N 3.14Å; K276-W278 VanDerWaalsContact C-N 3.33Å; W278-I280 VanDerWaalsContact C-N 3.33Å; W278-I280 PolarHBondContact O-N 3.28Å; W278-S281 WeakPolarHBondContact O-CA 3.14Å; W278-S281 WeakPolarHBondContact O-CB 3.25Å; W278-S281 PolarHBondContact O-N 2.92Å; W278-E282 PolarHBondContact NE1-OE1 3.35Å; W278-E282 PolarHBondContact O-N 3.35Å
279D97.9Very high94Very high75 Ų7562.3 Ų62.340%0.40135%0.348SS..Hα-helixtrans-61.3-43.3-175.9-58.5-21.8000111.2R187 S275 S281 E282 V283R187-D279 IonicContact NH2-OD1 2.87Å; S275-D279 PolarHBondContact O-N 3.14Å; D279-S281 VanDerWaalsContact C-N 3.34Å; D279-S281 PolarHBondContact O-N 2.77Å; D279-E282 PolarHBondContact O-N 2.93Å; D279-V283 WeakPolarHBondContact O-CG2 3.06Å; D279-V283 PolarHBondContact O-N 3.3Å
280I97.9Very high93.9Very high49 Ų4961.8 Ų61.825%0.25134%0.343SS..Hα-helixtrans-64.1-40.4174.2-68168.2000110.9F155 L158 K276 W278 E282 V283 M284F155-I280 HydrophobicContact CD1-CD1 3.46Å; F155-I280 VanDerWaalsContact CD1-CD1 3.46Å; F155-I280 HydrophobicContact CE1-CD1 3.85Å; F155-I280 HydrophobicContact CG-CD1 4.45Å; L158-I280 HydrophobicContact CD1-CG2 3.66Å; K276-I280 HydrophobicContact CG-CD1 4Å; K276-I280 WeakPolarHBondContact O-CG1 3.44Å; K276-I280 PolarHBondContact O-N 2.96Å; K276-I280 VanDerWaalsContact O-N 3.12Å; W278-I280 VanDerWaalsContact C-N 3.33Å; W278-I280 PolarHBondContact O-N 3.28Å; I280-E282 VanDerWaalsContact C-N 3.35Å; I280-E282 PolarHBondContact O-N 3.26Å; I280-V283 PolarHBondContact O-N 3.31Å; I280-M284 HydrophobicContact CG2-CG 4.05Å; I280-M284 HydrophobicContact CG2-SD 3.74Å; I280-M284 WeakPolarHBondContact O-CB 3.37Å; I280-M284 VanDerWaalsContact O-CG 3.23Å; I280-M284 WeakPolarHBondContact O-CG 3.44Å; I280-M284 PolarHBondContact O-N 3.34Å
281S98.5Very high93.6Very high1 Ų161.6 Ų61.61%0.00734%0.343CS..Hα-helixtrans-61.8-42.7177.8-59.40000111H118 L277 W278 D279 V283 M284 V285H118-S281 PolarHBondContact NE2-OG 2.97Å; L277-S281 VanDerWaalsContact O-CB 3.26Å; L277-S281 WeakPolarHBondContact O-CB 3.45Å; L277-S281 PolarHBondContact O-N 2.83Å; L277-S281 PolarHBondContact O-OG 2.61Å; W278-S281 WeakPolarHBondContact O-CA 3.14Å; W278-S281 WeakPolarHBondContact O-CB 3.25Å; W278-S281 PolarHBondContact O-N 2.92Å; D279-S281 VanDerWaalsContact C-N 3.34Å; D279-S281 PolarHBondContact O-N 2.77Å; S281-V283 VanDerWaalsContact C-N 3.34Å; S281-V283 PolarHBondContact O-N 2.88Å; S281-M284 PolarHBondContact O-N 3.11Å; S281-V285 WeakPolarHBondContact O-CG2 3.47Å; S281-V285 PolarHBondContact O-N 3Å
282E98Very high93.4Very high36 Ų3658.1 Ų58.117%0.16833%0.329CS..Hα-helixtrans-58.2-44.3176-70-172.9151.200112.3F122 H126 W278 D279 I280 G286 I287F122-E282 HydrophobicContact CE1-CG 3.82Å; F122-E282 HydrophobicContact CZ-CG 3.66Å; H126-E282 IonicContact CE1-OE1 3.48Å; W278-E282 PolarHBondContact NE1-OE1 3.35Å; W278-E282 PolarHBondContact O-N 3.35Å; D279-E282 PolarHBondContact O-N 2.93Å; I280-E282 VanDerWaalsContact C-N 3.35Å; I280-E282 PolarHBondContact O-N 3.26Å; E282-G286 PolarHBondContact O-N 3.08Å; E282-G286 VanDerWaalsContact O-N 3.13Å; E282-I287 HydrophobicContact CB-CB 4.45Å; E282-I287 PolarHBondContact O-N 3.06Å
283V97.6Very high93.2Very high98 Ų9851.6 Ų51.659%0.59430%0.303SS*.Hα-helixtrans-63.7-48.6175.5175.50000110.6D279 I280 S281 V285 G286D279-V283 WeakPolarHBondContact O-CG2 3.06Å; D279-V283 PolarHBondContact O-N 3.3Å; I280-V283 PolarHBondContact O-N 3.31Å; S281-V283 VanDerWaalsContact C-N 3.34Å; S281-V283 PolarHBondContact O-N 2.88Å; V283-V285 VanDerWaalsContact C-N 3.31Å; V283-V285 PolarHBondContact O-N 3.35Å; V283-G286 PolarHBondContact O-N 3.12Å; V283-G286 VanDerWaalsContact O-N 3.14Å
284M97.9Very high92.8Very high37 Ų3752.6 Ų52.618%0.18231%0.308CS..Hα-helixtrans-59.9-41.1-178.6-72.2-179.380.400111.9F110 F114 L119 L158 I280 S281 G286F110-M284 HydrophobicContact CD1-CE 3.43Å; F110-M284 VanDerWaalsContact CD1-CE 3.43Å; F110-M284 HydrophobicContact CE1-CB 4.13Å; F110-M284 HydrophobicContact CE1-CE 3.61Å; F110-M284 HydrophobicContact CG-CE 4.37Å; F110-M284 HydrophobicContact CZ-CB 4.29Å; F110-M284 VanDerWaalsContact CZ-O 3.23Å; F110-M284 WeakPolarHBondContact CZ-O 3.31Å; F114-M284 HydrophobicContact CE1-CE 4.01Å; F114-M284 HydrophobicContact CE1-SD 4.11Å; L119-M284 HydrophobicContact CD1-CB 4.49Å; L119-M284 HydrophobicContact CD1-CE 3.68Å; L119-M284 HydrophobicContact CD1-SD 4.28Å; L119-M284 HydrophobicContact CD2-CB 4.31Å; L119-M284 HydrophobicContact CD2-SD 4.3Å; L158-M284 HydrophobicContact CD1-SD 4.22Å; I280-M284 HydrophobicContact CG2-CG 4.05Å; I280-M284 HydrophobicContact CG2-SD 3.74Å; I280-M284 WeakPolarHBondContact O-CB 3.37Å; I280-M284 VanDerWaalsContact O-CG 3.23Å; I280-M284 WeakPolarHBondContact O-CG 3.44Å; I280-M284 PolarHBondContact O-N 3.34Å; S281-M284 PolarHBondContact O-N 3.11Å; M284-G286 VanDerWaalsContact C-N 3.32Å
285V98.3Very high92.4Very high2 Ų255.9 Ų55.91%0.01233%0.326CS..THydrogen-bonded Turntrans-882.2-179.7-58.80000114.4L72 R76 L119 F122 L123 S281 V283 I287L72-V285 HydrophobicContact CD1-CB 4Å; L72-V285 HydrophobicContact CD1-CG1 4.16Å; L72-V285 HydrophobicContact CD2-CB 4.39Å; L72-V285 HydrophobicContact CD2-CG1 3.98Å; R76-V285 PolarHBondContact NH2-O 2.66Å; L119-V285 HydrophobicContact CB-CG1 3.95Å; L119-V285 HydrophobicContact CD2-CG1 4.18Å; F122-V285 HydrophobicContact CD1-CG2 3.75Å; F122-V285 HydrophobicContact CE1-CG2 3.98Å; L123-V285 HydrophobicContact CB-CB 4.12Å; L123-V285 HydrophobicContact CB-CG1 4.23Å; L123-V285 HydrophobicContact CB-CG2 4.23Å; L123-V285 HydrophobicContact CD1-CB 4.35Å; L123-V285 HydrophobicContact CD1-CG2 4.23Å; S281-V285 WeakPolarHBondContact O-CG2 3.47Å; S281-V285 PolarHBondContact O-N 3Å; V283-V285 VanDerWaalsContact C-N 3.31Å; V283-V285 PolarHBondContact O-N 3.35Å; V285-I287 HydrophobicContact CG2-CB 4.35Å; V285-I287 HydrophobicContact CG2-CD1 3.39Å; V285-I287 HydrophobicContact CG2-CG1 3.6Å
286G96.4Very high92Very high46 Ų4657.1 Ų57.147%0.47433%0.33SS..THydrogen-bonded Turntrans65.548.1177.400000112.8R76 E282 V283 M284R76-G286 PolarHBondContact NH2-O 3.13Å; E282-G286 PolarHBondContact O-N 3.08Å; E282-G286 VanDerWaalsContact O-N 3.13Å; V283-G286 PolarHBondContact O-N 3.12Å; V283-G286 VanDerWaalsContact O-N 3.14Å; M284-G286 VanDerWaalsContact C-N 3.32Å
287I91.3Very high91.5Very high28 Ų2853.3 Ų53.314%0.14432%0.32CS..  trans-98.12.7174.9-68.5177.8000111.7F122 L123 H126 E282 V285 T289F122-I287 HydrophobicContact CD1-CD1 4.5Å; F122-I287 HydrophobicContact CE1-CD1 4.22Å; L123-I287 HydrophobicContact CD1-CD1 3.53Å; L123-I287 HydrophobicContact CD1-CG1 3.73Å; H126-I287 HydrophobicContact CB-CD1 3.7Å; H126-I287 VanDerWaalsContact CE1-CG2 3.48Å; H126-I287 WeakPolarHBondContact CE1-CG2 3.33Å; H126-I287 VanDerWaalsContact NE2-CG2 3.3Å; H126-I287 WeakPolarHBondContact NE2-CG2 3.49Å; E282-I287 HydrophobicContact CB-CB 4.45Å; E282-I287 PolarHBondContact O-N 3.06Å; V285-I287 HydrophobicContact CG2-CB 4.35Å; V285-I287 HydrophobicContact CG2-CD1 3.39Å; V285-I287 HydrophobicContact CG2-CG1 3.6Å; I287-T289 PolarHBondContact O-N 3.01Å
288T67Low90.9Very high101 Ų10157.5 Ų57.562%0.6235%0.345SS*.  trans-54.7130.2-165.6-18.80000113.7
289T51.6Low90.2Very high200 Ų20061.2 Ų61.2100%1.22737%0.371SS*.  trans-65.60178.921.30000113.5I287I287-T289 PolarHBondContact O-N 3.01Å

Retrieved 289 of 289 residues in 140.8 ms (Link to these results)

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