A0A5K4F0U1_SCHMA Loading...

Glycos_transf_1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0U1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M85.9Confident90.5Very high28 Ų2830.6 Ų30.614%0.13814%0.142CC..  0139.90172.7173.158.500110.4F26 A32 E33 F34 P59 L61 I359M1-F26 HydrophobicContact CE-CD1 3.46Å; M1-F26 VanDerWaalsContact CE-CD1 3.46Å; M1-F26 HydrophobicContact CE-CE1 3.81Å; M1-A32 HydrophobicContact CB-CB 4.41Å; M1-A32 HydrophobicContact CE-CB 3.69Å; M1-E33 PolarHBondContact O-N 3.36Å; M1-F34 PolarHBondContact O-N 2.85Å; M1-P59 HydrophobicContact CB-CG 3.62Å; M1-P59 HydrophobicContact CG-CG 3.8Å; M1-L61 HydrophobicContact SD-CB 3.98Å; M1-L61 HydrophobicContact SD-CD2 3.94Å; M1-I359 HydrophobicContact CE-CD1 4.18Å; M1-I359 HydrophobicContact SD-CG2 4.35Å
2Y91.3Very high89.3Confident51 Ų5131 Ų3120%0.216%0.16CC..EExtended strand (participates in β ladder)trans-101.7114.2170.7-171.1-164.4000110.5F34 F52 A57 P59 K60 L61Y2-F34 HydrophobicContact CD2-CB 3.49Å; Y2-F34 VanDerWaalsContact CD2-CB 3.49Å; Y2-F34 WeakPolarHBondContact CD2-O 3.47Å; Y2-F34 HydrophobicContact CE2-CB 3.88Å; Y2-F34 HydrophobicContact CG-CB 4.32Å; Y2-F52 AromaticContact CD1-CD2 3.69Å; Y2-F52 HydrophobicContact CD1-CD2 3.69Å; Y2-F52 AromaticContact CD1-CE2 3.54Å; Y2-F52 HydrophobicContact CD1-CE2 3.54Å; Y2-F52 HydrophobicContact CD2-CD2 4.34Å; Y2-F52 AromaticContact CD2-CE2 3.89Å; Y2-F52 HydrophobicContact CD2-CE2 3.89Å; Y2-F52 AromaticContact CE1-CD2 3.44Å; Y2-F52 HydrophobicContact CE1-CD2 3.44Å; Y2-F52 VanDerWaalsContact CE1-CD2 3.44Å; Y2-F52 AromaticContact CE1-CE2 3.79Å; Y2-F52 HydrophobicContact CE1-CE2 3.79Å; Y2-F52 HydrophobicContact CE2-CD2 4.12Å; Y2-F52 HydrophobicContact CE2-CE2 4.11Å; Y2-F52 HydrophobicContact CG-CD2 4.16Å; Y2-F52 AromaticContact CG-CE2 3.61Å; Y2-F52 HydrophobicContact CG-CE2 3.61Å; Y2-F52 AromaticContact CZ-CD2 3.68Å; Y2-F52 WeakPolarHBondContact O-CZ 3.22Å; Y2-A57 HydrophobicContact CD1-CB 3.88Å; Y2-A57 HydrophobicContact CG-CB 4.24Å; Y2-P59 PolarHBondContact N-O 3.35Å; Y2-K60 VanDerWaalsContact O-CA 3.31Å; Y2-K60 WeakPolarHBondContact O-CA 3.23Å; Y2-L61 PolarHBondContact O-N 2.83Å
3C94.6Very high88.9Confident0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-119.2135-173.8-175.10000112.7F34 I35 K36 L61C3-F34 PolarHBondContact N-O 3.05Å; C3-I35 HydrophobicContact CB-CG1 4.27Å; C3-I35 HydrophobicContact CB-CG2 4.3Å; C3-I35 WeakPolarHBondContact O-CA 3.22Å; C3-K36 PolarHBondContact O-N 3.38Å; C3-L61 CarbonylContact C-O 3.6Å; C3-L61 VanDerWaalsContact CA-O 3.24Å; C3-L61 WeakPolarHBondContact CA-O 3.41Å
4L96Very high88.5Confident1 Ų130.1 Ų30.11%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-106.1132.8162.4-64.8-173.8000110.4L6 K36 V38 I49 F52 L61 V62 I63L4-L6 HydrophobicContact CB-CD2 4.48Å; L4-K36 WeakPolarHBondContact CA-O 3.33Å; L4-K36 HydrophobicContact CD2-CB 3.77Å; L4-K36 HydrophobicContact CD2-CG 4.38Å; L4-V38 HydrophobicContact CD1-CG2 4.37Å; L4-V38 HydrophobicContact CD2-CG2 4.01Å; L4-I49 HydrophobicContact CD1-CD1 4.13Å; L4-F52 HydrophobicContact CD1-CB 3.5Å; L4-F52 HydrophobicContact CD1-CD1 3.73Å; L4-F52 HydrophobicContact CD1-CD2 3.73Å; L4-F52 HydrophobicContact CD1-CE1 4.33Å; L4-F52 HydrophobicContact CD1-CE2 4.35Å; L4-F52 HydrophobicContact CD1-CG 3.37Å; L4-F52 HydrophobicContact CD2-CD2 3.96Å; L4-F52 HydrophobicContact CD2-CE2 4.33Å; L4-F52 HydrophobicContact CD2-CG 4.44Å; L4-F52 HydrophobicContact CG-CB 4.22Å; L4-F52 HydrophobicContact CG-CD1 4.08Å; L4-F52 HydrophobicContact CG-CD2 3.46Å; L4-F52 VanDerWaalsContact CG-CD2 3.46Å; L4-F52 HydrophobicContact CG-CE1 4.27Å; L4-F52 HydrophobicContact CG-CE2 3.69Å; L4-F52 HydrophobicContact CG-CG 3.66Å; L4-F52 HydrophobicContact CG-CZ 4.08Å; L4-L61 PolarHBondContact N-O 3Å; L4-V62 HydrophobicContact CB-CG2 4.24Å; L4-V62 CarbonylContact O-C 3.59Å; L4-V62 WeakPolarHBondContact O-CA 3.39Å; L4-I63 PolarHBondContact O-N 3.2Å
5I97Very high88.4Confident0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-108.2110.8170.2-53.9179.1000107.9A19 I22 R23 I35 K36 I37 V38 I63 L65I5-A19 HydrophobicContact CG2-CB 3.89Å; I5-I22 HydrophobicContact CD1-CB 4.35Å; I5-I22 HydrophobicContact CD1-CG2 3.94Å; I5-R23 HydrophobicContact CD1-CB 3.97Å; I5-I35 HydrophobicContact CD1-CG2 3.71Å; I5-I35 HydrophobicContact CG1-CG2 3.95Å; I5-K36 PolarHBondContact N-O 3.21Å; I5-I37 HydrophobicContact CB-CG1 4.29Å; I5-I37 HydrophobicContact CD1-CG1 4.48Å; I5-I37 CarbonylContact O-C 3.43Å; I5-I37 VanDerWaalsContact O-CA 3.31Å; I5-I37 WeakPolarHBondContact O-CA 3.39Å; I5-V38 PolarHBondContact O-N 3.46Å; I5-I63 CarbonylContact C-O 3.56Å; I5-I63 WeakPolarHBondContact CA-O 3.41Å; I5-I63 HydrophobicContact CG1-CB 4.27Å; I5-I63 HydrophobicContact CG1-CD1 4.25Å; I5-I63 HydrophobicContact CG2-CB 4.43Å; I5-L65 HydrophobicContact CG2-CD1 4.24Å; I5-L65 HydrophobicContact CG2-CG 4.3Å
6L97Very high88.5Confident0 Ų029.9 Ų29.90%017%0.169CC..EExtended strand (participates in β ladder)trans-84.7117.1175.7-50-176000108.3L4 V38 I40 I49 V62 I63 L65 C70 L73 V74L4-L6 HydrophobicContact CB-CD2 4.48Å; L6-V38 HydrophobicContact CD2-CB 3.86Å; L6-V38 HydrophobicContact CD2-CG1 4.23Å; L6-V38 HydrophobicContact CD2-CG2 4.34Å; L6-I40 HydrophobicContact CB-CG2 3.84Å; L6-I49 HydrophobicContact CD2-CD1 4.08Å; L6-V62 HydrophobicContact CD1-CG1 3.72Å; L6-V62 HydrophobicContact CD2-CG1 4.43Å; L6-V62 HydrophobicContact CG-CG1 3.74Å; L6-I63 PolarHBondContact N-O 3.19Å; L6-L65 WeakPolarHBondContact O-CB 3.4Å; L6-L65 PolarHBondContact O-N 3.19Å; L6-C70 HydrophobicContact CB-CB 4.43Å; L6-C70 VanDerWaalsContact CB-SG 3.59Å; L6-C70 HydrophobicContact CD1-CB 4.44Å; L6-C70 PolarHBondContact O-SG 3.49Å; L6-L73 HydrophobicContact CD1-CB 4.05Å; L6-L73 HydrophobicContact CD2-CD1 4.37Å; L6-V74 HydrophobicContact CD1-CG2 3.65Å
7S94.4Very high88.5Confident0 Ų030.8 Ų30.80%018%0.177CC..EExtended strand (participates in β ladder)trans-149.3152.7-179.7-172.80000111.7Q9 N15 V38 N39 I40S7-Q9 PolarHBondContact O-N 3.38Å; S7-N15 PolarHBondContact OG-O 3.45Å; S7-N15 VanDerWaalsContact OG-O 3.1Å; S7-V38 PolarHBondContact N-O 3.4Å; S7-V38 VanDerWaalsContact N-O 3.12Å; S7-N39 WeakPolarHBondContact O-CA 3.34Å; S7-I40 PolarHBondContact O-N 3.12Å
8K88.4Confident88.7Confident30 Ų3029.7 Ų29.713%0.1317%0.171CC..  trans-72113.1166.4-175171.9179.4171.30108.3T10 I40 E227K8-T10 WeakPolarHBondContact CE-OG1 3.17Å; K8-T10 PolarHBondContact O-N 3.5Å; K8-T10 VanDerWaalsContact O-N 3.14Å; K8-I40 HydrophobicContact CB-CD1 4.02Å; K8-I40 HydrophobicContact CB-CG1 4.26Å; K8-E227 IonicContact NZ-OE1 3.71Å; K8-E227 PolarHBondContact NZ-OE1 3.03Å
9Q85Confident89Confident71 Ų7128.2 Ų28.233%0.33216%0.162SC..  trans-8840.5-174.8-63.7-171.419.300113.7S7 F11 L16 I37 V38 N39S7-Q9 PolarHBondContact O-N 3.38Å; Q9-F11 PolarHBondContact O-N 3.37Å; Q9-L16 HydrophobicContact CB-CD1 4.36Å; Q9-L16 HydrophobicContact CG-CD1 4.21Å; Q9-I37 HydrophobicContact CG-CG2 4.19Å; Q9-I37 PolarHBondContact NE2-O 2.89Å; Q9-V38 VanDerWaalsContact NE2-C 3.26Å; Q9-N39 HydrophobicContact CB-CB 4Å; Q9-N39 HydrophobicContact CG-CB 3.78Å; Q9-N39 PolarHBondContact N-OD1 3.01Å; Q9-N39 VanDerWaalsContact NE2-N 3.13Å
10T82.4Confident89.2Confident39 Ų3930.1 Ų30.124%0.23917%0.171CC..  trans-74124.9174.4-55.60000109.5K8 G12 S13 L179K8-T10 WeakPolarHBondContact CE-OG1 3.17Å; K8-T10 PolarHBondContact O-N 3.5Å; K8-T10 VanDerWaalsContact O-N 3.14Å; T10-G12 PolarHBondContact O-N 3.2Å; T10-S13 VanDerWaalsContact O-CB 3.24Å; T10-S13 WeakPolarHBondContact O-CB 3.37Å; T10-S13 PolarHBondContact O-N 2.73Å; T10-S13 PolarHBondContact O-OG 3.22Å; T10-L179 HydrophobicContact CG2-CD1 3.63Å; T10-L179 HydrophobicContact CG2-CD2 4.14Å
11F83.2Confident89.2Confident117 Ų11729.9 Ų29.951%0.51317%0.168SC..THydrogen-bonded Turntrans-60.5128.5-179.1-179.7-109.5000111.7Q9 S13 S250Q9-F11 PolarHBondContact O-N 3.37Å; F11-S13 VanDerWaalsContact C-N 3.32Å; F11-S250 VanDerWaalsContact CD1-CB 3.4Å; F11-S250 PolarHBondContact O-OG 3.35Å
12G76Confident89.5Confident35 Ų3528.6 Ų28.636%0.36116%0.162SC..THydrogen-bonded Turntrans78.76.8-17500000115.1T10T10-G12 PolarHBondContact O-N 3.2Å
13S84.7Confident89.7Confident11 Ų1130.2 Ų30.28%0.07717%0.168CC..  trans-80.4148172.371.50000112.1T10 F11 N15 L16 S17T10-S13 VanDerWaalsContact O-CB 3.24Å; T10-S13 WeakPolarHBondContact O-CB 3.37Å; T10-S13 PolarHBondContact O-N 2.73Å; T10-S13 PolarHBondContact O-OG 3.22Å; F11-S13 VanDerWaalsContact C-N 3.32Å; S13-N15 VanDerWaalsContact C-N 3.29Å; S13-N15 PolarHBondContact O-N 3.21Å; S13-L16 PolarHBondContact O-N 2.88Å; S13-L16 PolarHBondContact OG-N 3.44Å; S13-S17 PolarHBondContact O-N 2.81Å; S13-S17 PolarHBondContact O-OG 3.42Å
14G83.6Confident89.5Confident39 Ų3932.2 Ų32.240%0.40218%0.177SC..Hα-helixtrans-56.3-42.2174.300000112.5L16 S17 T18G14-L16 VanDerWaalsContact C-N 3.35Å; G14-L16 PolarHBondContact O-N 2.95Å; G14-S17 WeakPolarHBondContact O-CB 3.34Å; G14-S17 PolarHBondContact O-N 2.69Å; G14-S17 VanDerWaalsContact O-N 3.15Å; G14-T18 PolarHBondContact O-N 2.94Å; G14-T18 PolarHBondContact O-OG1 2.88Å
15N87.2Confident89.2Confident30 Ų3032.2 Ų32.216%0.1618%0.177CC..Hα-helixtrans-61.8-38.1-179.2-72.41.3000113.3S7 S13 A19 L65S7-N15 PolarHBondContact OG-O 3.45Å; S7-N15 VanDerWaalsContact OG-O 3.1Å; S13-N15 VanDerWaalsContact C-N 3.29Å; S13-N15 PolarHBondContact O-N 3.21Å; N15-A19 WeakPolarHBondContact O-CB 3.47Å; N15-A19 PolarHBondContact O-N 2.8Å; N15-L65 WeakPolarHBondContact O-CD1 3.32Å
16L89.3Confident88.9Confident27 Ų2732.2 Ų32.214%0.14118%0.177CC..Hα-helixtrans-68.9-43.6175.3179.159.5000110.7Q9 S13 G14 T18 A19 L20Q9-L16 HydrophobicContact CB-CD1 4.36Å; Q9-L16 HydrophobicContact CG-CD1 4.21Å; S13-L16 PolarHBondContact O-N 2.88Å; S13-L16 PolarHBondContact OG-N 3.44Å; G14-L16 VanDerWaalsContact C-N 3.35Å; G14-L16 PolarHBondContact O-N 2.95Å; L16-T18 PolarHBondContact O-N 3.39Å; L16-A19 PolarHBondContact O-N 3.49Å; L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CD1-CG 4.13Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 HydrophobicContact CG-CG 4.41Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 2.94Å
17S89.3Confident88.6Confident44 Ų4436.6 Ų36.631%0.30820%0.197SC..Hα-helixtrans-58.6-46.5175.2-610000111.5S13 G14 A19 L20 Y21S13-S17 PolarHBondContact O-N 2.81Å; S13-S17 PolarHBondContact O-OG 3.42Å; G14-S17 WeakPolarHBondContact O-CB 3.34Å; G14-S17 PolarHBondContact O-N 2.69Å; G14-S17 VanDerWaalsContact O-N 3.15Å; S17-A19 PolarHBondContact O-N 2.69Å; S17-L20 PolarHBondContact O-N 3.3Å; S17-Y21 VanDerWaalsContact O-CB 3.28Å; S17-Y21 WeakPolarHBondContact O-CB 3.41Å; S17-Y21 PolarHBondContact O-N 3.36Å
18T91.3Very high88.2Confident12 Ų1242.1 Ų42.17%0.07423%0.226CC..Hα-helixtrans-60.7-43.4175.1-48.40000111.5G14 L16 Y21 I22 L65 Q142G14-T18 PolarHBondContact O-N 2.94Å; G14-T18 PolarHBondContact O-OG1 2.88Å; L16-T18 PolarHBondContact O-N 3.39Å; T18-Y21 PolarHBondContact O-N 3.27Å; T18-I22 HydrophobicContact CG2-CD1 3.83Å; T18-I22 HydrophobicContact CG2-CG1 4.43Å; T18-I22 WeakPolarHBondContact O-CB 3.38Å; T18-I22 VanDerWaalsContact O-CG1 3.28Å; T18-I22 WeakPolarHBondContact O-CG1 3.29Å; T18-I22 PolarHBondContact O-N 2.97Å; T18-L65 HydrophobicContact CG2-CD1 4.43Å; T18-L65 HydrophobicContact CG2-CD2 4.41Å; T18-Q142 PolarHBondContact OG1-OE1 2.78Å
19A93.9Very high88Confident0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-62.9-46.3178.400000112.7I5 N15 L16 S17 Y21 I22 R23 I37 L65I5-A19 HydrophobicContact CG2-CB 3.89Å; N15-A19 WeakPolarHBondContact O-CB 3.47Å; N15-A19 PolarHBondContact O-N 2.8Å; L16-A19 PolarHBondContact O-N 3.49Å; S17-A19 PolarHBondContact O-N 2.69Å; A19-Y21 VanDerWaalsContact C-N 3.25Å; A19-Y21 PolarHBondContact O-N 2.9Å; A19-I22 PolarHBondContact O-N 3.17Å; A19-R23 WeakPolarHBondContact O-CB 3.13Å; A19-R23 PolarHBondContact O-N 2.96Å; A19-I37 HydrophobicContact CB-CD1 4.02Å; A19-I37 HydrophobicContact CB-CG2 4.04Å; A19-L65 HydrophobicContact CB-CD1 3.62Å
20L92.7Very high87.8Confident66 Ų6644 Ų4435%0.34623%0.232SC..Hα-helixtrans-61.2-39.4177-71.9169.1000111.1L16 S17 R23 E24 I37L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CD1-CG 4.13Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 HydrophobicContact CG-CG 4.41Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 2.94Å; S17-L20 PolarHBondContact O-N 3.3Å; L20-R23 WeakPolarHBondContact O-CB 3.5Å; L20-R23 PolarHBondContact O-N 2.99Å; L20-E24 WeakPolarHBondContact O-CB 3.39Å; L20-E24 PolarHBondContact O-N 3.46Å; L20-I37 HydrophobicContact CD2-CD1 3.76Å; L20-I37 HydrophobicContact CG-CD1 4.2Å
21Y90.6Very high87.7Confident26 Ų2650.4 Ų50.410%0.10226%0.259CS..Hα-helixtrans-72.5-41.4-179-165.1-105.8000113S17 T18 A19 R23 E24 I25 A143 R145 R348S17-Y21 VanDerWaalsContact O-CB 3.28Å; S17-Y21 WeakPolarHBondContact O-CB 3.41Å; S17-Y21 PolarHBondContact O-N 3.36Å; T18-Y21 PolarHBondContact O-N 3.27Å; A19-Y21 VanDerWaalsContact C-N 3.25Å; A19-Y21 PolarHBondContact O-N 2.9Å; Y21-R23 VanDerWaalsContact C-N 3.35Å; Y21-E24 PolarHBondContact O-N 3.41Å; Y21-I25 HydrophobicContact CD1-CD1 3.76Å; Y21-I25 HydrophobicContact CE1-CD1 3.48Å; Y21-I25 VanDerWaalsContact CE1-CD1 3.48Å; Y21-I25 HydrophobicContact CE1-CG1 4.26Å; Y21-I25 PolarHBondContact O-N 3.36Å; Y21-A143 HydrophobicContact CE1-CB 3.58Å; Y21-A143 VanDerWaalsContact OH-CB 3.31Å; Y21-A143 WeakPolarHBondContact OH-CB 3.43Å; Y21-R145 HydrophobicContact CE2-CB 4.15Å; Y21-R348 HydrophobicContact CE1-CG 4.3Å; Y21-R348 HydrophobicContact CE2-CG 4.45Å; Y21-R348 WeakPolarHBondContact OH-CA 3.39Å; Y21-R348 WeakPolarHBondContact OH-CB 3.33Å; Y21-R348 WeakPolarHBondContact OH-CD 3.49Å; Y21-R348 WeakPolarHBondContact OH-CG 3.24Å
22I92.4Very high87.6Confident1 Ų145.2 Ų45.21%0.00524%0.238CC..Hα-helixtrans-61.3-45.3172.2-70.8167.5000110.3I5 T18 A19 E24 I25 F26 I63 L65 I86 Y355I5-I22 HydrophobicContact CD1-CB 4.35Å; I5-I22 HydrophobicContact CD1-CG2 3.94Å; T18-I22 HydrophobicContact CG2-CD1 3.83Å; T18-I22 HydrophobicContact CG2-CG1 4.43Å; T18-I22 WeakPolarHBondContact O-CB 3.38Å; T18-I22 VanDerWaalsContact O-CG1 3.28Å; T18-I22 WeakPolarHBondContact O-CG1 3.29Å; T18-I22 PolarHBondContact O-N 2.97Å; A19-I22 PolarHBondContact O-N 3.17Å; I22-E24 VanDerWaalsContact C-N 3.3Å; I22-E24 PolarHBondContact O-N 2.96Å; I22-I25 PolarHBondContact O-N 3.17Å; I22-F26 HydrophobicContact CG2-CD2 3.78Å; I22-F26 HydrophobicContact CG2-CE2 3.66Å; I22-F26 HydrophobicContact CG2-CZ 4.3Å; I22-F26 WeakPolarHBondContact O-CB 3.39Å; I22-F26 WeakPolarHBondContact O-CD2 3.43Å; I22-F26 PolarHBondContact O-N 3.22Å; I22-I63 HydrophobicContact CG2-CD1 3.64Å; I22-L65 HydrophobicContact CD1-CD2 3.97Å; I22-I86 HydrophobicContact CD1-CD1 3.35Å; I22-Y355 HydrophobicContact CG1-CE2 4.32Å
23R94Very high87.9Confident86 Ų8651 Ų5133%0.32526%0.256SS..Hα-helixtrans-53.2-51.5174.2177.4-179.372-179.72.6110.6I5 A19 L20 Y21 I25 F26 E27 I35 I37I5-R23 HydrophobicContact CD1-CB 3.97Å; A19-R23 WeakPolarHBondContact O-CB 3.13Å; A19-R23 PolarHBondContact O-N 2.96Å; L20-R23 WeakPolarHBondContact O-CB 3.5Å; L20-R23 PolarHBondContact O-N 2.99Å; Y21-R23 VanDerWaalsContact C-N 3.35Å; R23-I25 VanDerWaalsContact C-N 3.33Å; R23-I25 PolarHBondContact O-N 3.34Å; R23-F26 PolarHBondContact O-N 3.12Å; R23-F26 VanDerWaalsContact O-N 3.12Å; R23-E27 WeakPolarHBondContact CD-OE1 3.42Å; R23-E27 HydrophobicContact CG-CG 4.34Å; R23-E27 VanDerWaalsContact CG-OE1 3.3Å; R23-E27 WeakPolarHBondContact CG-OE1 3.2Å; R23-E27 IonicContact NE-OE1 3.92Å; R23-E27 WeakPolarHBondContact O-CB 3.45Å; R23-E27 WeakPolarHBondContact O-CG 3.34Å; R23-E27 PolarHBondContact O-N 3.37Å; R23-I35 HydrophobicContact CB-CG2 4.14Å; R23-I35 HydrophobicContact CG-CB 3.93Å; R23-I35 HydrophobicContact CG-CD1 4.04Å; R23-I35 HydrophobicContact CG-CG2 3.79Å; R23-I35 WeakPolarHBondContact O-CD1 3.22Å; R23-I37 HydrophobicContact CB-CD1 4.46Å
24E91Very high88.2Confident42 Ų4256.7 Ų56.720%0.19628%0.279CS..Hα-helixtrans-61.5-37.8-179.6160.2172.4-152.100112.1L20 Y21 I22 L28 R145 R348L20-E24 WeakPolarHBondContact O-CB 3.39Å; L20-E24 PolarHBondContact O-N 3.46Å; Y21-E24 PolarHBondContact O-N 3.41Å; I22-E24 VanDerWaalsContact C-N 3.3Å; I22-E24 PolarHBondContact O-N 2.96Å; E24-L28 PolarHBondContact O-N 3.38Å; E24-L28 VanDerWaalsContact O-N 3.11Å; E24-R145 IonicContact OE1-NH1 3.86Å; E24-R145 IonicContact OE2-CZ 2.79Å; E24-R145 IonicContact OE2-NH1 3.73Å; E24-R145 PolarHBondContact OE2-NH1 3.01Å; E24-R348 VanDerWaalsContact C-NH2 3.29Å; E24-R348 VanDerWaalsContact CD-NH1 3.31Å; E24-R348 PolarHBondContact O-NH2 3.26Å; E24-R348 IonicContact OE1-CZ 3.76Å; E24-R348 IonicContact OE1-NH1 3.8Å; E24-R348 PolarHBondContact OE1-NH1 3.12Å; E24-R348 IonicContact OE1-NH2 3.3Å
25I89.9Confident88.7Confident0 Ų056 Ų560%027%0.266CS..Hα-helixtrans-63.8-45.3172.2-76.7167.8000111.6Y21 I22 R23 E27 L28 Y29 R348 Q351 A352 Y355Y21-I25 HydrophobicContact CD1-CD1 3.76Å; Y21-I25 HydrophobicContact CE1-CD1 3.48Å; Y21-I25 VanDerWaalsContact CE1-CD1 3.48Å; Y21-I25 HydrophobicContact CE1-CG1 4.26Å; Y21-I25 PolarHBondContact O-N 3.36Å; I22-I25 PolarHBondContact O-N 3.17Å; R23-I25 VanDerWaalsContact C-N 3.33Å; R23-I25 PolarHBondContact O-N 3.34Å; I25-E27 VanDerWaalsContact C-N 3.35Å; I25-L28 PolarHBondContact O-N 2.74Å; I25-Y29 HydrophobicContact CG2-CD2 4.29Å; I25-Y29 WeakPolarHBondContact O-CB 3.19Å; I25-Y29 WeakPolarHBondContact O-CD2 3.36Å; I25-Y29 PolarHBondContact O-N 3.02Å; I25-R348 HydrophobicContact CD1-CG 4.06Å; I25-R348 HydrophobicContact CG1-CG 3.73Å; I25-Q351 HydrophobicContact CD1-CB 4.04Å; I25-Q351 HydrophobicContact CD1-CG 4.38Å; I25-A352 HydrophobicContact CG2-CB 3.72Å; I25-Y355 HydrophobicContact CG2-CD2 4.44Å
26F91.4Very high89Confident0 Ų058.5 Ų58.50%028%0.275CS..Hα-helixtrans-68.5-37.1-176.4-83.8-130.8000111.5M1 I22 R23 L30 E31 A32 I35 L61 I63 Y355 I359M1-F26 HydrophobicContact CE-CD1 3.46Å; M1-F26 VanDerWaalsContact CE-CD1 3.46Å; M1-F26 HydrophobicContact CE-CE1 3.81Å; I22-F26 HydrophobicContact CG2-CD2 3.78Å; I22-F26 HydrophobicContact CG2-CE2 3.66Å; I22-F26 HydrophobicContact CG2-CZ 4.3Å; I22-F26 WeakPolarHBondContact O-CB 3.39Å; I22-F26 WeakPolarHBondContact O-CD2 3.43Å; I22-F26 PolarHBondContact O-N 3.22Å; R23-F26 PolarHBondContact O-N 3.12Å; R23-F26 VanDerWaalsContact O-N 3.12Å; F26-L30 HydrophobicContact CB-CD1 4.36Å; F26-L30 HydrophobicContact CD1-CD1 4.02Å; F26-L30 HydrophobicContact CD2-CD1 3.51Å; F26-L30 HydrophobicContact CE1-CD1 4.12Å; F26-L30 HydrophobicContact CE2-CD1 3.66Å; F26-L30 HydrophobicContact CG-CD1 3.69Å; F26-L30 HydrophobicContact CZ-CD1 3.97Å; F26-L30 CarbonylContact O-C 3.6Å; F26-L30 WeakPolarHBondContact O-CA 3.48Å; F26-L30 WeakPolarHBondContact O-CB 3.48Å; F26-L30 PolarHBondContact O-N 3.26Å; F26-L30 VanDerWaalsContact O-N 3.1Å; F26-E31 PolarHBondContact O-N 3.07Å; F26-A32 HydrophobicContact CB-CB 4.08Å; F26-A32 PolarHBondContact O-N 2.77Å; F26-I35 HydrophobicContact CB-CD1 3.31Å; F26-I35 HydrophobicContact CG-CD1 4.36Å; F26-L61 HydrophobicContact CE1-CD2 3.89Å; F26-I63 HydrophobicContact CD1-CD1 4.29Å; F26-I63 HydrophobicContact CE1-CD1 3.56Å; F26-I63 HydrophobicContact CE2-CD1 4.12Å; F26-I63 HydrophobicContact CZ-CD1 3.45Å; F26-I63 VanDerWaalsContact CZ-CD1 3.45Å; F26-Y355 HydrophobicContact CE2-CD1 4.14Å; F26-Y355 HydrophobicContact CE2-CD2 4.17Å; F26-Y355 AromaticContact CE2-CG 3.85Å; F26-Y355 HydrophobicContact CE2-CG 3.85Å; F26-Y355 HydrophobicContact CZ-CD1 4.33Å; F26-Y355 HydrophobicContact CZ-CG 4.38Å; F26-I359 HydrophobicContact CD1-CD1 4.19Å; F26-I359 HydrophobicContact CE1-CD1 3.42Å; F26-I359 VanDerWaalsContact CE1-CD1 3.42Å; F26-I359 HydrophobicContact CE1-CG1 4.48Å; F26-I359 HydrophobicContact CE2-CD1 4.4Å; F26-I359 HydrophobicContact CZ-CD1 3.56Å
27E90.4Very high89.3Confident93 Ų9358.3 Ų58.344%0.43527%0.274SS..Hα-helixtrans-63.7-48.5173.3-75.3167.1172.900111.7R23 I25 I35R23-E27 WeakPolarHBondContact CD-OE1 3.42Å; R23-E27 HydrophobicContact CG-CG 4.34Å; R23-E27 VanDerWaalsContact CG-OE1 3.3Å; R23-E27 WeakPolarHBondContact CG-OE1 3.2Å; R23-E27 IonicContact NE-OE1 3.92Å; R23-E27 WeakPolarHBondContact O-CB 3.45Å; R23-E27 WeakPolarHBondContact O-CG 3.34Å; R23-E27 PolarHBondContact O-N 3.37Å; I25-E27 VanDerWaalsContact C-N 3.35Å; E27-I35 HydrophobicContact CG-CD1 3.85Å; E27-I35 HydrophobicContact CG-CG1 4.48Å
28L85.8Confident89.6Confident115 Ų11556.2 Ų56.260%0.60226%0.26SS*.Hα-helixtrans-79.7-31.2-175.1-68.3-161.3000114.6E24 I25E24-L28 PolarHBondContact O-N 3.38Å; E24-L28 VanDerWaalsContact O-N 3.11Å; I25-L28 PolarHBondContact O-N 2.74Å
29Y83.8Confident89.7Confident116 Ų11658 Ų5846%0.45527%0.268SS..Hα-helixtrans-118.9-14.4-168.2-61.6-80.7000114.7I25 R348 A352I25-Y29 HydrophobicContact CG2-CD2 4.29Å; I25-Y29 WeakPolarHBondContact O-CB 3.19Å; I25-Y29 WeakPolarHBondContact O-CD2 3.36Å; I25-Y29 PolarHBondContact O-N 3.02Å; Y29-R348 HydrophobicContact CE2-CG 4.16Å; Y29-A352 HydrophobicContact CD1-CB 4.16Å; Y29-A352 HydrophobicContact CD2-CB 3.63Å; Y29-A352 HydrophobicContact CE2-CB 4.19Å; Y29-A352 HydrophobicContact CG-CB 3.6Å
30L82.1Confident89.7Confident26 Ų2658.8 Ų58.814%0.13627%0.273CS..SBendtrans-12713.9-170.3-55.2171.9000113.5F26 A32 I359F26-L30 HydrophobicContact CB-CD1 4.36Å; F26-L30 HydrophobicContact CD1-CD1 4.02Å; F26-L30 HydrophobicContact CD2-CD1 3.51Å; F26-L30 HydrophobicContact CE1-CD1 4.12Å; F26-L30 HydrophobicContact CE2-CD1 3.66Å; F26-L30 HydrophobicContact CG-CD1 3.69Å; F26-L30 HydrophobicContact CZ-CD1 3.97Å; F26-L30 CarbonylContact O-C 3.6Å; F26-L30 WeakPolarHBondContact O-CA 3.48Å; F26-L30 WeakPolarHBondContact O-CB 3.48Å; F26-L30 PolarHBondContact O-N 3.26Å; F26-L30 VanDerWaalsContact O-N 3.1Å; L30-A32 PolarHBondContact O-N 3.49Å; L30-I359 HydrophobicContact CD1-CD1 3.35Å; L30-I359 HydrophobicContact CD2-CD1 4.47Å; L30-I359 HydrophobicContact CG-CD1 4.32Å
31E78.4Confident89.4Confident173 Ų17360.6 Ų60.681%0.80828%0.283SS*.  trans50.437.1174.4-59.2178.7-17400113F26 E33F26-E31 PolarHBondContact O-N 3.07Å; E31-E33 PolarHBondContact O-N 2.88Å
32A82.3Confident89.3Confident8 Ų862 Ų627%0.06630%0.295CS..  trans-80.899.4177.300000110.1M1 F26 L30 F34 I35M1-A32 HydrophobicContact CB-CB 4.41Å; M1-A32 HydrophobicContact CE-CB 3.69Å; F26-A32 HydrophobicContact CB-CB 4.08Å; F26-A32 PolarHBondContact O-N 2.77Å; L30-A32 PolarHBondContact O-N 3.49Å; A32-F34 VanDerWaalsContact C-N 3.35Å; A32-F34 PolarHBondContact O-N 2.83Å; A32-I35 HydrophobicContact CB-CD1 3.6Å; A32-I35 HydrophobicContact CB-CG1 3.71Å
33E81.8Confident89.1Confident156 Ų15670 Ų7073%0.72933%0.333SS*.SBendtrans-65.5-33.1-177.7-61.2179.9161.500114M1 E31M1-E33 PolarHBondContact O-N 3.36Å; E31-E33 PolarHBondContact O-N 2.88Å
34F90.7Very high89Confident131 Ų13169.3 Ų69.358%0.57534%0.341SS*.EExtended strand (participates in β ladder)trans-133.2110.8-178.3-64.8-78000110.1M1 Y2 C3 A32M1-F34 PolarHBondContact O-N 2.85Å; Y2-F34 HydrophobicContact CD2-CB 3.49Å; Y2-F34 VanDerWaalsContact CD2-CB 3.49Å; Y2-F34 WeakPolarHBondContact CD2-O 3.47Å; Y2-F34 HydrophobicContact CE2-CB 3.88Å; Y2-F34 HydrophobicContact CG-CB 4.32Å; C3-F34 PolarHBondContact N-O 3.05Å; A32-F34 VanDerWaalsContact C-N 3.35Å; A32-F34 PolarHBondContact O-N 2.83Å
35I93.7Very high89.1Confident23 Ų2367.3 Ų67.312%0.11833%0.332CS..EExtended strand (participates in β ladder)trans-123.9121173-47.5-175.1000109.2C3 I5 R23 F26 E27 A32C3-I35 HydrophobicContact CB-CG1 4.27Å; C3-I35 HydrophobicContact CB-CG2 4.3Å; C3-I35 WeakPolarHBondContact O-CA 3.22Å; I5-I35 HydrophobicContact CD1-CG2 3.71Å; I5-I35 HydrophobicContact CG1-CG2 3.95Å; R23-I35 HydrophobicContact CB-CG2 4.14Å; R23-I35 HydrophobicContact CG-CB 3.93Å; R23-I35 HydrophobicContact CG-CD1 4.04Å; R23-I35 HydrophobicContact CG-CG2 3.79Å; R23-I35 WeakPolarHBondContact O-CD1 3.22Å; F26-I35 HydrophobicContact CB-CD1 3.31Å; F26-I35 HydrophobicContact CG-CD1 4.36Å; E27-I35 HydrophobicContact CG-CD1 3.85Å; E27-I35 HydrophobicContact CG-CG1 4.48Å; A32-I35 HydrophobicContact CB-CD1 3.6Å; A32-I35 HydrophobicContact CB-CG1 3.71Å
36K94.6Very high89.3Confident84 Ų8470.6 Ų70.637%0.36535%0.349SS..EExtended strand (participates in β ladder)trans-116.5126.3174.6-178.9173.3-179.4171.40110.3C3 L4 I5 V38 D48C3-K36 PolarHBondContact O-N 3.38Å; L4-K36 WeakPolarHBondContact CA-O 3.33Å; L4-K36 HydrophobicContact CD2-CB 3.77Å; L4-K36 HydrophobicContact CD2-CG 4.38Å; I5-K36 PolarHBondContact N-O 3.21Å; K36-V38 HydrophobicContact CD-CG2 4.45Å; K36-V38 HydrophobicContact CG-CG2 4.19Å; K36-D48 WeakPolarHBondContact CE-OD2 3.13Å; K36-D48 IonicContact NZ-OD1 3.89Å; K36-D48 PolarHBondContact NZ-OD1 3.13Å; K36-D48 IonicContact NZ-OD2 3.81Å; K36-D48 PolarHBondContact NZ-OD2 3.1Å
37I95.2Very high89.5Confident22 Ų2277.1 Ų77.111%0.11338%0.378CS..EExtended strand (participates in β ladder)trans-85.3124.7168.5-50.3177000107.3I5 Q9 A19 L20 R23I5-I37 HydrophobicContact CB-CG1 4.29Å; I5-I37 HydrophobicContact CD1-CG1 4.48Å; I5-I37 CarbonylContact O-C 3.43Å; I5-I37 VanDerWaalsContact O-CA 3.31Å; I5-I37 WeakPolarHBondContact O-CA 3.39Å; Q9-I37 HydrophobicContact CG-CG2 4.19Å; Q9-I37 PolarHBondContact NE2-O 2.89Å; A19-I37 HydrophobicContact CB-CD1 4.02Å; A19-I37 HydrophobicContact CB-CG2 4.04Å; L20-I37 HydrophobicContact CD2-CD1 3.76Å; L20-I37 HydrophobicContact CG-CD1 4.2Å; R23-I37 HydrophobicContact CB-CD1 4.46Å
38V95.3Very high89.7Confident1 Ų173.9 Ų73.91%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-109128.8-177.3177.80000109L4 I5 L6 S7 Q9 K36 I40 S45 D48 L73L4-V38 HydrophobicContact CD1-CG2 4.37Å; L4-V38 HydrophobicContact CD2-CG2 4.01Å; I5-V38 PolarHBondContact O-N 3.46Å; L6-V38 HydrophobicContact CD2-CB 3.86Å; L6-V38 HydrophobicContact CD2-CG1 4.23Å; L6-V38 HydrophobicContact CD2-CG2 4.34Å; S7-V38 PolarHBondContact N-O 3.4Å; S7-V38 VanDerWaalsContact N-O 3.12Å; Q9-V38 VanDerWaalsContact NE2-C 3.26Å; K36-V38 HydrophobicContact CD-CG2 4.45Å; K36-V38 HydrophobicContact CG-CG2 4.19Å; V38-I40 PolarHBondContact O-N 3.31Å; V38-S45 VanDerWaalsContact CG1-CB 3.42Å; V38-S45 VanDerWaalsContact CG1-OG 3.29Å; V38-S45 WeakPolarHBondContact CG1-OG 3.5Å; V38-D48 HydrophobicContact CG1-CB 4.27Å; V38-D48 HydrophobicContact CG2-CB 4.07Å; V38-L73 HydrophobicContact CG1-CD1 4.26Å
39N94Very high90.2Very high48 Ų4868.5 Ų68.526%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-80.2109.4-179.8-175.26.2000110.2S7 Q9 N41 C42 S45S7-N39 WeakPolarHBondContact O-CA 3.34Å; Q9-N39 HydrophobicContact CB-CB 4Å; Q9-N39 HydrophobicContact CG-CB 3.78Å; Q9-N39 PolarHBondContact N-OD1 3.01Å; Q9-N39 VanDerWaalsContact NE2-N 3.13Å; N39-N41 PolarHBondContact O-N 3.39Å; N39-N41 PolarHBondContact OD1-N 2.94Å; N39-C42 HydrophobicContact CB-CB 4.12Å; N39-C42 PolarHBondContact O-N 2.8Å; N39-S45 PolarHBondContact O-OG 3.31Å
40I92.9Very high90.8Very high17 Ų1768.1 Ų68.19%0.08734%0.337CS..THydrogen-bonded Turntrans-62.1-19-174.565.3-170.6000114.5L6 S7 K8 V38 Q69 L73L6-I40 HydrophobicContact CB-CG2 3.84Å; S7-I40 PolarHBondContact O-N 3.12Å; K8-I40 HydrophobicContact CB-CD1 4.02Å; K8-I40 HydrophobicContact CB-CG1 4.26Å; V38-I40 PolarHBondContact O-N 3.31Å; I40-Q69 HydrophobicContact CD1-CB 3.42Å; I40-Q69 VanDerWaalsContact CD1-CB 3.42Å; I40-L73 HydrophobicContact CB-CD1 4.26Å; I40-L73 HydrophobicContact CG2-CD1 4.07Å
41N86.6Confident91.4Very high104 Ų10470.2 Ų70.256%0.55635%0.349SS*.THydrogen-bonded Turntrans-941.9179.3-69.9-2.3000114N39N39-N41 PolarHBondContact O-N 3.39Å; N39-N41 PolarHBondContact OD1-N 2.94Å
42C88.8Confident92.2Very high55 Ų5562 Ų6237%0.37231%0.31SS..  trans-102.8135.8-178.5-167.50000111.8N39 S44 S45N39-C42 HydrophobicContact CB-CB 4.12Å; N39-C42 PolarHBondContact O-N 2.8Å; C42-S44 PolarHBondContact O-N 2.55Å; C42-S44 PolarHBondContact SG-OG 3.24Å; C42-S45 WeakPolarHBondContact O-CB 3.23Å; C42-S45 PolarHBondContact O-N 2.85Å; C42-S45 VanDerWaalsContact O-N 3.12Å; C42-S45 PolarHBondContact O-OG 3.15Å; C42-S45 VanDerWaalsContact O-OG 3.11Å
43E89Confident92.9Very high171 Ų17164 Ų6480%0.79932%0.32SS*.THydrogen-bonded Turntrans-60.9-32.6176.3-68.6-170.1160.100112.9S45 L46E43-S45 PolarHBondContact O-N 2.71Å; E43-L46 PolarHBondContact O-N 2.75Å; E43-L46 VanDerWaalsContact O-N 3.13Å
44S91.5Very high93.5Very high70 Ų7062.8 Ų62.849%0.4931%0.314SS..THydrogen-bonded Turntrans-59.8-20.8177.768.20000113.1C42 L46 K47 D48C42-S44 PolarHBondContact O-N 2.55Å; C42-S44 PolarHBondContact SG-OG 3.24Å; S44-L46 PolarHBondContact O-N 2.86Å; S44-K47 WeakPolarHBondContact O-CB 3.38Å; S44-K47 PolarHBondContact O-N 3.38Å; S44-K47 VanDerWaalsContact O-N 3.13Å; S44-D48 PolarHBondContact O-N 3.42Å
45S93.3Very high93.6Very high1 Ų158.2 Ų58.21%0.00730%0.299CS..Hα-helixtrans-64.1-23.3178.7-59.40000113V38 N39 C42 E43 K47 D48 I49V38-S45 VanDerWaalsContact CG1-CB 3.42Å; V38-S45 VanDerWaalsContact CG1-OG 3.29Å; V38-S45 WeakPolarHBondContact CG1-OG 3.5Å; N39-S45 PolarHBondContact O-OG 3.31Å; C42-S45 WeakPolarHBondContact O-CB 3.23Å; C42-S45 PolarHBondContact O-N 2.85Å; C42-S45 VanDerWaalsContact O-N 3.12Å; C42-S45 PolarHBondContact O-OG 3.15Å; C42-S45 VanDerWaalsContact O-OG 3.11Å; E43-S45 PolarHBondContact O-N 2.71Å; S45-K47 VanDerWaalsContact C-N 3.32Å; S45-K47 PolarHBondContact O-N 2.88Å; S45-D48 WeakPolarHBondContact O-CB 3.45Å; S45-D48 PolarHBondContact O-N 2.96Å; S45-I49 WeakPolarHBondContact O-CG1 3.47Å; S45-I49 PolarHBondContact O-N 2.7Å
46L94.2Very high93.5Very high69 Ų6963.8 Ų63.836%0.36133%0.334SS..Hα-helixtrans-62.7-41.6173.4-62.5175.5000111.4E43 S44 D48 I49 E50 L73 L76E43-L46 PolarHBondContact O-N 2.75Å; E43-L46 VanDerWaalsContact O-N 3.13Å; S44-L46 PolarHBondContact O-N 2.86Å; L46-D48 VanDerWaalsContact C-N 3.31Å; L46-D48 PolarHBondContact O-N 3.16Å; L46-I49 PolarHBondContact O-N 3.28Å; L46-E50 PolarHBondContact O-N 3.17Å; L46-L73 HydrophobicContact CD2-CD2 4Å; L46-L76 HydrophobicContact CD2-CD1 3.36Å
47K95Very high93.1Very high137 Ų13761.6 Ų61.660%0.59633%0.332SS*.Hα-helixtrans-66.8-34.8175.9-171.2176.5-177.7176.80111.7S44 S45 E50 N51S44-K47 WeakPolarHBondContact O-CB 3.38Å; S44-K47 PolarHBondContact O-N 3.38Å; S44-K47 VanDerWaalsContact O-N 3.13Å; S45-K47 VanDerWaalsContact C-N 3.32Å; S45-K47 PolarHBondContact O-N 2.88Å; K47-E50 PolarHBondContact O-N 3.46Å; K47-N51 WeakPolarHBondContact O-CB 3.25Å; K47-N51 PolarHBondContact O-N 3.36Å; K47-N51 PolarHBondContact O-ND2 3.23Å
48D95.3Very high92.6Very high25 Ų2566.8 Ų66.813%0.13436%0.359CS..Hα-helixtrans-64.5-42.1175.5-71.9-27.2000112.1K36 V38 S44 S45 L46 F52K36-D48 WeakPolarHBondContact CE-OD2 3.13Å; K36-D48 IonicContact NZ-OD1 3.89Å; K36-D48 PolarHBondContact NZ-OD1 3.13Å; K36-D48 IonicContact NZ-OD2 3.81Å; K36-D48 PolarHBondContact NZ-OD2 3.1Å; V38-D48 HydrophobicContact CG1-CB 4.27Å; V38-D48 HydrophobicContact CG2-CB 4.07Å; S44-D48 PolarHBondContact O-N 3.42Å; S45-D48 WeakPolarHBondContact O-CB 3.45Å; S45-D48 PolarHBondContact O-N 2.96Å; L46-D48 VanDerWaalsContact C-N 3.31Å; L46-D48 PolarHBondContact O-N 3.16Å; D48-F52 VanDerWaalsContact O-CB 3.26Å; D48-F52 WeakPolarHBondContact O-CB 3.12Å; D48-F52 PolarHBondContact O-N 3.09Å
49I96.4Very high92.2Very high2 Ų268 Ų681%0.0137%0.367CS..Hα-helixtrans-65.2-44.2174.3-62.8-63.1000111.1L4 L6 S45 L46 F52 N53 L73 L76 L77L4-I49 HydrophobicContact CD1-CD1 4.13Å; L6-I49 HydrophobicContact CD2-CD1 4.08Å; S45-I49 WeakPolarHBondContact O-CG1 3.47Å; S45-I49 PolarHBondContact O-N 2.7Å; L46-I49 PolarHBondContact O-N 3.28Å; I49-F52 PolarHBondContact O-N 3.29Å; I49-N53 PolarHBondContact O-N 3.03Å; I49-L73 HydrophobicContact CD1-CB 4.28Å; I49-L73 HydrophobicContact CG1-CB 4.28Å; I49-L73 HydrophobicContact CG1-CD2 4.25Å; I49-L76 HydrophobicContact CG2-CB 3.86Å; I49-L77 HydrophobicContact CD1-CD2 3.9Å; I49-L77 HydrophobicContact CD1-CG 4.31Å; I49-L77 HydrophobicContact CG2-CD2 3.92Å; I49-L77 HydrophobicContact CG2-CG 4.26Å
50E96Very high92.1Very high107 Ų10767 Ų6750%0.536%0.361SS..Hα-helixtrans-59.5-50.4177.5-176.4179.9-171.900111.9L46 K47 F52 N53 Q54L46-E50 PolarHBondContact O-N 3.17Å; K47-E50 PolarHBondContact O-N 3.46Å; E50-F52 VanDerWaalsContact C-N 3.26Å; E50-F52 PolarHBondContact O-N 3.49Å; E50-N53 PolarHBondContact O-N 3.11Å; E50-Q54 WeakPolarHBondContact O-CG 2.99Å; E50-Q54 PolarHBondContact O-N 2.91Å; E50-Q54 PolarHBondContact OE1-NE2 3.28Å
51N94.8Very high92.1Very high71 Ų7166.2 Ų66.238%0.3836%0.357SS..Hα-helixtrans-59.4-39.8176.4-69.6-25000111.5K47 Q54 S55K47-N51 WeakPolarHBondContact O-CB 3.25Å; K47-N51 PolarHBondContact O-N 3.36Å; K47-N51 PolarHBondContact O-ND2 3.23Å; N51-Q54 PolarHBondContact O-N 2.96Å; N51-S55 PolarHBondContact O-N 3.36Å
52F95.5Very high92.6Very high0 Ų061.3 Ų61.30%033%0.33CS..Hα-helixtrans-68.4-39179.5-168.9-105.7000112.3Y2 L4 D48 I49 E50 Q54 S55 K60 V62 L77 I81Y2-F52 AromaticContact CD1-CD2 3.69Å; Y2-F52 HydrophobicContact CD1-CD2 3.69Å; Y2-F52 AromaticContact CD1-CE2 3.54Å; Y2-F52 HydrophobicContact CD1-CE2 3.54Å; Y2-F52 HydrophobicContact CD2-CD2 4.34Å; Y2-F52 AromaticContact CD2-CE2 3.89Å; Y2-F52 HydrophobicContact CD2-CE2 3.89Å; Y2-F52 AromaticContact CE1-CD2 3.44Å; Y2-F52 HydrophobicContact CE1-CD2 3.44Å; Y2-F52 VanDerWaalsContact CE1-CD2 3.44Å; Y2-F52 AromaticContact CE1-CE2 3.79Å; Y2-F52 HydrophobicContact CE1-CE2 3.79Å; Y2-F52 HydrophobicContact CE2-CD2 4.12Å; Y2-F52 HydrophobicContact CE2-CE2 4.11Å; Y2-F52 HydrophobicContact CG-CD2 4.16Å; Y2-F52 AromaticContact CG-CE2 3.61Å; Y2-F52 HydrophobicContact CG-CE2 3.61Å; Y2-F52 AromaticContact CZ-CD2 3.68Å; Y2-F52 WeakPolarHBondContact O-CZ 3.22Å; L4-F52 HydrophobicContact CD1-CB 3.5Å; L4-F52 HydrophobicContact CD1-CD1 3.73Å; L4-F52 HydrophobicContact CD1-CD2 3.73Å; L4-F52 HydrophobicContact CD1-CE1 4.33Å; L4-F52 HydrophobicContact CD1-CE2 4.35Å; L4-F52 HydrophobicContact CD1-CG 3.37Å; L4-F52 HydrophobicContact CD2-CD2 3.96Å; L4-F52 HydrophobicContact CD2-CE2 4.33Å; L4-F52 HydrophobicContact CD2-CG 4.44Å; L4-F52 HydrophobicContact CG-CB 4.22Å; L4-F52 HydrophobicContact CG-CD1 4.08Å; L4-F52 HydrophobicContact CG-CD2 3.46Å; L4-F52 VanDerWaalsContact CG-CD2 3.46Å; L4-F52 HydrophobicContact CG-CE1 4.27Å; L4-F52 HydrophobicContact CG-CE2 3.69Å; L4-F52 HydrophobicContact CG-CG 3.66Å; L4-F52 HydrophobicContact CG-CZ 4.08Å; D48-F52 VanDerWaalsContact O-CB 3.26Å; D48-F52 WeakPolarHBondContact O-CB 3.12Å; D48-F52 PolarHBondContact O-N 3.09Å; I49-F52 PolarHBondContact O-N 3.29Å; E50-F52 VanDerWaalsContact C-N 3.26Å; E50-F52 PolarHBondContact O-N 3.49Å; F52-Q54 VanDerWaalsContact C-N 3.34Å; F52-S55 PolarHBondContact O-N 3.41Å; F52-K60 HydrophobicContact CE1-CB 4.12Å; F52-K60 HydrophobicContact CE1-CD 4.1Å; F52-K60 HydrophobicContact CE2-CD 4.49Å; F52-K60 HydrophobicContact CZ-CB 3.76Å; F52-K60 HydrophobicContact CZ-CD 4.1Å; F52-K60 HydrophobicContact CZ-CG 4.12Å; F52-K60 WeakPolarHBondContact O-CE 3.44Å; F52-K60 PolarHBondContact O-NZ 3.13Å; F52-V62 HydrophobicContact CD1-CG2 4.13Å; F52-V62 HydrophobicContact CE1-CG2 3.53Å; F52-V62 HydrophobicContact CZ-CG2 4.24Å; F52-L77 HydrophobicContact CD1-CD2 4.04Å; F52-I81 HydrophobicContact CD1-CD1 3.88Å; F52-I81 HydrophobicContact CE1-CD1 3.95Å; F52-I81 HydrophobicContact CE1-CG2 3.82Å
53N96.1Very high93Very high49 Ų4958.7 Ų58.726%0.26231%0.313SS..Hα-helixtrans-59.9-45.1172.2-73.9-17.3000111I49 E50 S55 K60 L76 L77 D78 I81I49-N53 PolarHBondContact O-N 3.03Å; E50-N53 PolarHBondContact O-N 3.11Å; N53-S55 PolarHBondContact O-N 2.87Å; N53-K60 PolarHBondContact O-NZ 3.34Å; N53-K60 VanDerWaalsContact O-NZ 3.14Å; N53-L76 PolarHBondContact ND2-O 3.29Å; N53-L77 WeakPolarHBondContact OD1-CA 3.33Å; N53-D78 PolarHBondContact OD1-N 2.96Å; N53-I81 WeakPolarHBondContact OD1-CD1 3.26Å
54Q95.2Very high93.4Very high131 Ų13150.5 Ų50.561%0.61228%0.275SS*.Hα-helixtrans-74.3-21.6-177-67.5173.79.800114.8E50 N51 F52E50-Q54 WeakPolarHBondContact O-CG 2.99Å; E50-Q54 PolarHBondContact O-N 2.91Å; E50-Q54 PolarHBondContact OE1-NE2 3.28Å; N51-Q54 PolarHBondContact O-N 2.96Å; F52-Q54 VanDerWaalsContact C-N 3.34Å
55S92.9Very high93.7Very high36 Ų3647.2 Ų47.225%0.25225%0.251SS..  trans-57.7145.9-179.1174.80000112.5N51 F52 N53 A57 K60N51-S55 PolarHBondContact O-N 3.36Å; F52-S55 PolarHBondContact O-N 3.41Å; N53-S55 PolarHBondContact O-N 2.87Å; S55-A57 WeakPolarHBondContact OG-CB 3.36Å; S55-A57 PolarHBondContact OG-N 3.21Å; S55-K60 WeakPolarHBondContact O-CE 3.45Å; S55-K60 PolarHBondContact O-NZ 3Å
56T90.9Very high93.8Very high140 Ų14047.2 Ų47.286%0.85925%0.252SS*.  trans-96.13174.358.40000113.1
57A86.9Confident93.9Very high38 Ų3844 Ų4431%0.31423%0.234SC..  trans-62.4140.6178.800000110.9Y2 S55 K60Y2-A57 HydrophobicContact CD1-CB 3.88Å; Y2-A57 HydrophobicContact CG-CB 4.24Å; S55-A57 WeakPolarHBondContact OG-CB 3.36Å; S55-A57 PolarHBondContact OG-N 3.21Å; A57-K60 VanDerWaalsContact O-CE 3.3Å; A57-K60 WeakPolarHBondContact O-CE 3.46Å; A57-K60 WeakPolarHBondContact O-CG 3.5Å
58N83.6Confident93.9Very high130 Ų13040.6 Ų40.670%0.69522%0.218SC*.SBendtrans-143.1134178.1-165.630.6000108.6
59P87.3Confident93.8Very high27 Ų2741.4 Ų41.418%0.17522%0.221CC..SBendcis-67.4150.9-4.535.6-43.8000113.3M1 Y2 H363M1-P59 HydrophobicContact CB-CG 3.62Å; M1-P59 HydrophobicContact CG-CG 3.8Å; Y2-P59 PolarHBondContact N-O 3.35Å; P59-H363 WeakPolarHBondContact CG-CE1 3.39Å
60K91.7Very high93.8Very high27 Ų2741.3 Ų41.312%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-105.4147.7162.8-64.2-170.4-172.6170.20110.4Y2 F52 N53 S55 A57 I81 P82Y2-K60 VanDerWaalsContact O-CA 3.31Å; Y2-K60 WeakPolarHBondContact O-CA 3.23Å; F52-K60 HydrophobicContact CE1-CB 4.12Å; F52-K60 HydrophobicContact CE1-CD 4.1Å; F52-K60 HydrophobicContact CE2-CD 4.49Å; F52-K60 HydrophobicContact CZ-CB 3.76Å; F52-K60 HydrophobicContact CZ-CD 4.1Å; F52-K60 HydrophobicContact CZ-CG 4.12Å; F52-K60 WeakPolarHBondContact O-CE 3.44Å; F52-K60 PolarHBondContact O-NZ 3.13Å; N53-K60 PolarHBondContact O-NZ 3.34Å; N53-K60 VanDerWaalsContact O-NZ 3.14Å; S55-K60 WeakPolarHBondContact O-CE 3.45Å; S55-K60 PolarHBondContact O-NZ 3Å; A57-K60 VanDerWaalsContact O-CE 3.3Å; A57-K60 WeakPolarHBondContact O-CE 3.46Å; A57-K60 WeakPolarHBondContact O-CG 3.5Å; K60-I81 HydrophobicContact CB-CG2 4.35Å; K60-I81 HydrophobicContact CD-CD1 4.09Å; K60-I81 HydrophobicContact CD-CG1 4.22Å; K60-P82 VanDerWaalsContact O-CD 3.27Å; K60-P82 WeakPolarHBondContact O-CD 3.33Å; K60-P82 WeakPolarHBondContact O-CG 3.34Å
61L94.3Very high93.8Very high1 Ų136.5 Ų36.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-148136.6173.417458.2000110.7M1 Y2 C3 L4 F26 I63 P82 L84 F113 I359 I362M1-L61 HydrophobicContact SD-CB 3.98Å; M1-L61 HydrophobicContact SD-CD2 3.94Å; Y2-L61 PolarHBondContact O-N 2.83Å; C3-L61 CarbonylContact C-O 3.6Å; C3-L61 VanDerWaalsContact CA-O 3.24Å; C3-L61 WeakPolarHBondContact CA-O 3.41Å; L4-L61 PolarHBondContact N-O 3Å; F26-L61 HydrophobicContact CE1-CD2 3.89Å; L61-I63 HydrophobicContact CD2-CG1 4.34Å; L61-I63 HydrophobicContact CG-CG1 4.26Å; L61-P82 HydrophobicContact CD1-CB 4.48Å; L61-P82 HydrophobicContact CD1-CG 4.42Å; L61-P82 WeakPolarHBondContact CD1-O 3.49Å; L61-L84 HydrophobicContact CD1-CB 4.07Å; L61-F113 HydrophobicContact CD1-CE1 3.61Å; L61-F113 HydrophobicContact CD1-CZ 4.22Å; L61-I359 HydrophobicContact CD2-CD1 4.39Å; L61-I359 HydrophobicContact CD2-CG1 4.19Å; L61-I362 HydrophobicContact CD1-CD1 3.78Å; L61-I362 HydrophobicContact CD2-CD1 4.06Å; L61-I362 HydrophobicContact CG-CD1 4.45Å
62V96.6Very high93.8Very high0 Ų040.2 Ų40.20%021%0.207CC..EExtended strand (participates in β ladder)trans-109129.8166179.10000110.3L4 L6 F52 L77 I81 P82 V83 L84L4-V62 HydrophobicContact CB-CG2 4.24Å; L4-V62 CarbonylContact O-C 3.59Å; L4-V62 WeakPolarHBondContact O-CA 3.39Å; L6-V62 HydrophobicContact CD1-CG1 3.72Å; L6-V62 HydrophobicContact CD2-CG1 4.43Å; L6-V62 HydrophobicContact CG-CG1 3.74Å; F52-V62 HydrophobicContact CD1-CG2 4.13Å; F52-V62 HydrophobicContact CE1-CG2 3.53Å; F52-V62 HydrophobicContact CZ-CG2 4.24Å; V62-L77 HydrophobicContact CB-CD1 3.92Å; V62-L77 HydrophobicContact CG1-CD1 3.89Å; V62-L77 HydrophobicContact CG2-CD1 3.6Å; V62-L77 HydrophobicContact CG2-CD2 3.91Å; V62-L77 HydrophobicContact CG2-CG 4.45Å; V62-I81 HydrophobicContact CG2-CG2 3.89Å; V62-P82 PolarHBondContact N-O 3.38Å; V62-V83 HydrophobicContact CB-CG2 4.45Å; V62-V83 CarbonylContact O-C 3.51Å; V62-V83 WeakPolarHBondContact O-CA 3.33Å; V62-L84 PolarHBondContact O-N 3.42Å
63I97Very high93.8Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-103.8118.5170.5-54.1-178.9000108L4 I5 L6 I22 F26 L61 L65 L84 I86L4-I63 PolarHBondContact O-N 3.2Å; I5-I63 CarbonylContact C-O 3.56Å; I5-I63 WeakPolarHBondContact CA-O 3.41Å; I5-I63 HydrophobicContact CG1-CB 4.27Å; I5-I63 HydrophobicContact CG1-CD1 4.25Å; I5-I63 HydrophobicContact CG2-CB 4.43Å; L6-I63 PolarHBondContact N-O 3.19Å; I22-I63 HydrophobicContact CG2-CD1 3.64Å; F26-I63 HydrophobicContact CD1-CD1 4.29Å; F26-I63 HydrophobicContact CE1-CD1 3.56Å; F26-I63 HydrophobicContact CE2-CD1 4.12Å; F26-I63 HydrophobicContact CZ-CD1 3.45Å; F26-I63 VanDerWaalsContact CZ-CD1 3.45Å; L61-I63 HydrophobicContact CD2-CG1 4.34Å; L61-I63 HydrophobicContact CG-CG1 4.26Å; I63-L65 HydrophobicContact CG2-CD2 4.37Å; I63-L84 CarbonylContact C-O 3.54Å; I63-L84 VanDerWaalsContact CA-O 3.26Å; I63-L84 WeakPolarHBondContact CA-O 3.41Å; I63-L84 HydrophobicContact CD1-CD2 4.38Å; I63-L84 HydrophobicContact CG1-CB 4.4Å; I63-L84 HydrophobicContact CG1-CD2 4.22Å; I63-I86 HydrophobicContact CG2-CD1 3.62Å; I63-I86 HydrophobicContact CG2-CG1 4.02Å
64A97.5Very high93.9Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-103106.1179.600000110.3C70 V74 V83 L84 I86 L108A64-C70 HydrophobicContact CB-CB 3.72Å; A64-V74 HydrophobicContact CB-CG2 4.23Å; A64-V83 HydrophobicContact CB-CG1 4.34Å; A64-L84 PolarHBondContact N-O 3.33Å; A64-I86 PolarHBondContact O-N 3.44Å; A64-L108 HydrophobicContact CB-CD2 4.17Å
65L96.6Very high93.9Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-85.4114.5173.5-63.3-173.5000109.7I5 L6 N15 T18 A19 I22 I63 C70 I86 T88I5-L65 HydrophobicContact CG2-CD1 4.24Å; I5-L65 HydrophobicContact CG2-CG 4.3Å; L6-L65 WeakPolarHBondContact O-CB 3.4Å; L6-L65 PolarHBondContact O-N 3.19Å; N15-L65 WeakPolarHBondContact O-CD1 3.32Å; T18-L65 HydrophobicContact CG2-CD1 4.43Å; T18-L65 HydrophobicContact CG2-CD2 4.41Å; A19-L65 HydrophobicContact CB-CD1 3.62Å; I22-L65 HydrophobicContact CD1-CD2 3.97Å; I63-L65 HydrophobicContact CG2-CD2 4.37Å; L65-C70 PolarHBondContact O-SG 2.86Å; L65-I86 HydrophobicContact CD2-CB 3.58Å; L65-I86 HydrophobicContact CD2-CD1 3.59Å; L65-I86 HydrophobicContact CD2-CG1 3.93Å; L65-I86 HydrophobicContact CD2-CG2 3.99Å; L65-T88 HydrophobicContact CB-CG2 4.48Å
66H95.6Very high94.1Very high2 Ų236.8 Ų36.81%0.00920%0.195CC..SBendtrans81.2116.4-175.8-163.1-49.1000114.3R68 Q69 C70 I86 T88 T90 D91 D95H66-R68 PolarHBondContact ND1-N 3.3Å; H66-R68 PolarHBondContact O-N 3.43Å; H66-Q69 HydrophobicContact CB-CB 4.39Å; H66-Q69 HydrophobicContact CB-CG 4.47Å; H66-Q69 PolarHBondContact CD2-NE2 2.69Å; H66-Q69 PolarHBondContact NE2-NE2 2.97Å; H66-C70 WeakPolarHBondContact O-CB 3.13Å; H66-C70 PolarHBondContact O-N 2.85Å; H66-C70 VanDerWaalsContact O-N 3.14Å; H66-I86 PolarHBondContact N-O 2.93Å; H66-T88 HydrophobicContact CB-CG2 4.25Å; H66-T88 WeakPolarHBondContact CB-OG1 3.42Å; H66-T88 PolarHBondContact CD2-OG1 3.4Å; H66-T90 PolarHBondContact NE2-OG1 2.74Å; H66-D91 WeakPolarHBondContact CA-OD2 3.43Å; H66-D91 IonicContact CG-OD2 3.2Å; H66-D91 IonicContact ND1-OD2 2.74Å; H66-D95 IonicContact CE1-OD2 2.66Å; H66-D95 PolarHBondContact CE1-OD2 3.34Å; H66-D95 VanDerWaalsContact CE1-OD2 3.3Å; H66-D95 IonicContact NE2-OD2 3.64Å
67L97.1Very high94.3Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-61.2-54.3-171.8-67.5173.3000112.9Q69 S71 D91 M105 L108 V109 W130L67-Q69 PolarHBondContact O-N 2.9Å; L67-S71 PolarHBondContact O-N 3.23Å; L67-D91 HydrophobicContact CB-CB 4Å; L67-D91 HydrophobicContact CD1-CB 4.44Å; L67-D91 HydrophobicContact CG-CB 4.41Å; L67-D91 PolarHBondContact N-OD2 3.22Å; L67-M105 HydrophobicContact CB-CB 4.01Å; L67-M105 HydrophobicContact CB-CG 3.65Å; L67-M105 HydrophobicContact CB-SD 4.04Å; L67-M105 HydrophobicContact CD1-CB 4.4Å; L67-L108 HydrophobicContact CB-CD2 4.41Å; L67-L108 HydrophobicContact CD2-CD2 3.96Å; L67-L108 HydrophobicContact CD2-CG 4.02Å; L67-L108 WeakPolarHBondContact O-CD2 3.38Å; L67-V109 HydrophobicContact CD1-CG2 3.79Å; L67-V109 HydrophobicContact CD2-CG2 3.92Å; L67-W130 HydrophobicContact CD1-CH2 3.7Å; L67-W130 HydrophobicContact CD1-CZ2 4.45Å; L67-W130 HydrophobicContact CD1-CZ3 4.02Å
68R95.5Very high94.7Very high67 Ų6732.6 Ų32.625%0.25316%0.162SC..Hα-helixtrans-60-51-178.2-179.3178.56297.3-5.1112.2H66 C70 S71 D95 Y101 M105H66-R68 PolarHBondContact ND1-N 3.3Å; H66-R68 PolarHBondContact O-N 3.43Å; R68-C70 VanDerWaalsContact C-N 3.35Å; R68-C70 PolarHBondContact O-N 3.43Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.79Å; R68-S71 PolarHBondContact O-OG 3Å; R68-D95 WeakPolarHBondContact CD-OD2 3.44Å; R68-D95 IonicContact CZ-OD2 3.34Å; R68-D95 IonicContact NE-OD1 2.61Å; R68-D95 IonicContact NE-OD2 3.34Å; R68-D95 PolarHBondContact NE-OD2 2.89Å; R68-D95 IonicContact NH2-OD2 2.75Å; R68-Y101 VanDerWaalsContact CD-CD1 3.46Å; R68-Y101 VanDerWaalsContact CD-CD2 3.44Å; R68-Y101 HydrophobicContact CG-CD1 4.23Å; R68-Y101 HydrophobicContact CG-CG 4.23Å; R68-M105 HydrophobicContact CB-CG 3.91Å; R68-M105 HydrophobicContact CB-SD 4.12Å
69Q93Very high95.2Very high42 Ų4234.9 Ų34.920%0.19617%0.166CC..Hα-helixtrans-71.5-30.6-169.8-55.7-178.711.800112.4I40 H66 L67I40-Q69 HydrophobicContact CD1-CB 3.42Å; I40-Q69 VanDerWaalsContact CD1-CB 3.42Å; H66-Q69 HydrophobicContact CB-CB 4.39Å; H66-Q69 HydrophobicContact CB-CG 4.47Å; H66-Q69 PolarHBondContact CD2-NE2 2.69Å; H66-Q69 PolarHBondContact NE2-NE2 2.97Å; L67-Q69 PolarHBondContact O-N 2.9Å
70C96.4Very high95.5Very high0 Ų038.1 Ų38.10%019%0.189CC..Hα-helixtrans-84.6-18177.8-70.60000114.2L6 A64 L65 H66 R68 R72 L73 V74 L108L6-C70 HydrophobicContact CB-CB 4.43Å; L6-C70 VanDerWaalsContact CB-SG 3.59Å; L6-C70 HydrophobicContact CD1-CB 4.44Å; L6-C70 PolarHBondContact O-SG 3.49Å; A64-C70 HydrophobicContact CB-CB 3.72Å; L65-C70 PolarHBondContact O-SG 2.86Å; H66-C70 WeakPolarHBondContact O-CB 3.13Å; H66-C70 PolarHBondContact O-N 2.85Å; H66-C70 VanDerWaalsContact O-N 3.14Å; R68-C70 VanDerWaalsContact C-N 3.35Å; R68-C70 PolarHBondContact O-N 3.43Å; C70-R72 VanDerWaalsContact C-N 3.29Å; C70-R72 PolarHBondContact O-N 2.81Å; C70-R72 VanDerWaalsContact O-N 3.15Å; C70-L73 PolarHBondContact O-N 3.35Å; C70-L73 VanDerWaalsContact O-N 3.16Å; C70-V74 HydrophobicContact CB-CG2 4.49Å; C70-V74 PolarHBondContact O-N 2.87Å; C70-L108 HydrophobicContact CB-CD2 4.14Å
71S95.4Very high95.6Very high6 Ų637 Ų374%0.04218%0.184CC..Hα-helixtrans-49.4-44.7-173.162.80000113.9L67 R68 V74 S75L67-S71 PolarHBondContact O-N 3.23Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.79Å; R68-S71 PolarHBondContact O-OG 3Å; S71-V74 PolarHBondContact O-N 2.92Å; S71-S75 PolarHBondContact O-N 3.07Å
72R94.4Very high95.6Very high148 Ų14837.9 Ų37.956%0.55819%0.19SC*.Hα-helixtrans-60.2-52.4179.9177.9-179.313391.7-5.6112.1C70 V74 S75C70-R72 VanDerWaalsContact C-N 3.29Å; C70-R72 PolarHBondContact O-N 2.81Å; C70-R72 VanDerWaalsContact O-N 3.15Å; R72-V74 VanDerWaalsContact C-N 3.32Å; R72-V74 PolarHBondContact O-N 3.19Å; R72-S75 PolarHBondContact O-N 3.2Å; R72-S75 PolarHBondContact O-OG 2.58Å
73L96.3Very high95.6Very high4 Ų437.9 Ų37.92%0.02119%0.19CC..Hα-helixtrans-68.2-35.3-178.8-69.7-172.2000111.7L6 V38 I40 L46 I49 C70 S75 L76L6-L73 HydrophobicContact CD1-CB 4.05Å; L6-L73 HydrophobicContact CD2-CD1 4.37Å; V38-L73 HydrophobicContact CG1-CD1 4.26Å; I40-L73 HydrophobicContact CB-CD1 4.26Å; I40-L73 HydrophobicContact CG2-CD1 4.07Å; L46-L73 HydrophobicContact CD2-CD2 4Å; I49-L73 HydrophobicContact CD1-CB 4.28Å; I49-L73 HydrophobicContact CG1-CB 4.28Å; I49-L73 HydrophobicContact CG1-CD2 4.25Å; C70-L73 PolarHBondContact O-N 3.35Å; C70-L73 VanDerWaalsContact O-N 3.16Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 2.83Å; L73-L76 HydrophobicContact CD2-CD1 4.47Å; L73-L76 PolarHBondContact O-N 3.4Å
74V97.1Very high95.6Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-65.1-33.6175.7173.90000112L6 A64 C70 S71 R72 L76 L77 V83 L108 R111L6-V74 HydrophobicContact CD1-CG2 3.65Å; A64-V74 HydrophobicContact CB-CG2 4.23Å; C70-V74 HydrophobicContact CB-CG2 4.49Å; C70-V74 PolarHBondContact O-N 2.87Å; S71-V74 PolarHBondContact O-N 2.92Å; R72-V74 VanDerWaalsContact C-N 3.32Å; R72-V74 PolarHBondContact O-N 3.19Å; V74-L76 PolarHBondContact O-N 2.93Å; V74-L76 VanDerWaalsContact O-N 3.1Å; V74-L77 HydrophobicContact CB-CD1 4.28Å; V74-L77 HydrophobicContact CG1-CD1 4.2Å; V74-L77 HydrophobicContact CG2-CD1 4.16Å; V74-L77 WeakPolarHBondContact O-CB 3.34Å; V74-L77 PolarHBondContact O-N 3.07Å; V74-V83 HydrophobicContact CG1-CG1 4.4Å; V74-V83 HydrophobicContact CG1-CG2 4Å; V74-V83 HydrophobicContact CG2-CG1 4.47Å; V74-L108 HydrophobicContact CB-CD1 3.82Å; V74-L108 HydrophobicContact CG1-CD1 3.52Å; V74-L108 HydrophobicContact CG2-CD1 3.74Å; V74-R111 HydrophobicContact CG1-CG 3.84Å
75S96Very high95.6Very high62 Ų6237.9 Ų37.943%0.43419%0.19SC..THydrogen-bonded Turntrans-62.5-17.5176.677.30000114.4S71 R72 L73 Y107S71-S75 PolarHBondContact O-N 3.07Å; R72-S75 PolarHBondContact O-N 3.2Å; R72-S75 PolarHBondContact O-OG 2.58Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 2.83Å; S75-Y107 WeakPolarHBondContact CA-OH 3.21Å
76L96.5Very high95.7Very high79 Ų7938 Ų3841%0.41419%0.19SC..THydrogen-bonded Turntrans-95.4-6.3178.3-57.9173.9000112.9L46 I49 N53 L73 V74L46-L76 HydrophobicContact CD2-CD1 3.36Å; I49-L76 HydrophobicContact CG2-CB 3.86Å; N53-L76 PolarHBondContact ND2-O 3.29Å; L73-L76 HydrophobicContact CD2-CD1 4.47Å; L73-L76 PolarHBondContact O-N 3.4Å; V74-L76 PolarHBondContact O-N 2.93Å; V74-L76 VanDerWaalsContact O-N 3.1Å
77L96.5Very high95.7Very high10 Ų1037.9 Ų37.95%0.05219%0.19CC..SBendtrans-76.1144.5178-71.5166.8000111.3I49 F52 N53 V62 V74 K79 I81 V83I49-L77 HydrophobicContact CD1-CD2 3.9Å; I49-L77 HydrophobicContact CD1-CG 4.31Å; I49-L77 HydrophobicContact CG2-CD2 3.92Å; I49-L77 HydrophobicContact CG2-CG 4.26Å; F52-L77 HydrophobicContact CD1-CD2 4.04Å; N53-L77 WeakPolarHBondContact OD1-CA 3.33Å; V62-L77 HydrophobicContact CB-CD1 3.92Å; V62-L77 HydrophobicContact CG1-CD1 3.89Å; V62-L77 HydrophobicContact CG2-CD1 3.6Å; V62-L77 HydrophobicContact CG2-CD2 3.91Å; V62-L77 HydrophobicContact CG2-CG 4.45Å; V74-L77 HydrophobicContact CB-CD1 4.28Å; V74-L77 HydrophobicContact CG1-CD1 4.2Å; V74-L77 HydrophobicContact CG2-CD1 4.16Å; V74-L77 WeakPolarHBondContact O-CB 3.34Å; V74-L77 PolarHBondContact O-N 3.07Å; L77-K79 PolarHBondContact O-N 3.22Å; L77-I81 HydrophobicContact CD2-CD1 4.4Å; L77-V83 HydrophobicContact CD1-CG2 4.25Å
78D95.3Very high95.6Very high79 Ų7938.9 Ų38.942%0.42220%0.196SC..  trans-54134.6167.8-172.7-68.3000109.9N53 S80 I81 R111N53-D78 PolarHBondContact OD1-N 2.96Å; D78-S80 PolarHBondContact O-N 2.99Å; D78-S80 VanDerWaalsContact OD1-CB 3.27Å; D78-S80 WeakPolarHBondContact OD1-CB 3.43Å; D78-S80 PolarHBondContact OD1-N 3.35Å; D78-S80 PolarHBondContact OD1-OG 3.22Å; D78-I81 HydrophobicContact CB-CD1 3.95Å; D78-I81 HydrophobicContact CB-CG1 4.17Å; D78-I81 WeakPolarHBondContact O-CB 3.38Å; D78-I81 PolarHBondContact O-N 2.86Å; D78-I81 VanDerWaalsContact O-N 3.12Å; D78-R111 PolarHBondContact O-NH2 3.36Å
79K93.6Very high95.4Very high179 Ų17935.7 Ų35.778%0.77818%0.184SC*.THydrogen-bonded Turntrans-63-24-174.6-69.6-174.2179.5-179.20113.7L77 I81 R111L77-K79 PolarHBondContact O-N 3.22Å; K79-I81 VanDerWaalsContact C-N 3.28Å; K79-I81 PolarHBondContact O-N 3.48Å; K79-R111 VanDerWaalsContact C-NH2 3.35Å; K79-R111 VanDerWaalsContact CA-NH2 3.35Å; K79-R111 PolarHBondContact O-NH2 2.83Å; K79-R111 VanDerWaalsContact O-NH2 3.15Å
80S92.2Very high95.4Very high94 Ų9434.3 Ų34.366%0.65718%0.179SC*.THydrogen-bonded Turntrans-72.6-19.9177.764.90000113.5D78D78-S80 PolarHBondContact O-N 2.99Å; D78-S80 VanDerWaalsContact OD1-CB 3.27Å; D78-S80 WeakPolarHBondContact OD1-CB 3.43Å; D78-S80 PolarHBondContact OD1-N 3.35Å; D78-S80 PolarHBondContact OD1-OG 3.22Å
81I94.1Very high95.3Very high5 Ų534.3 Ų34.33%0.02618%0.179CC..SBendtrans-75.6125.4-177.2-64.3174.9000109.7F52 N53 K60 V62 L77 D78 K79 R111F52-I81 HydrophobicContact CD1-CD1 3.88Å; F52-I81 HydrophobicContact CE1-CD1 3.95Å; F52-I81 HydrophobicContact CE1-CG2 3.82Å; N53-I81 WeakPolarHBondContact OD1-CD1 3.26Å; K60-I81 HydrophobicContact CB-CG2 4.35Å; K60-I81 HydrophobicContact CD-CD1 4.09Å; K60-I81 HydrophobicContact CD-CG1 4.22Å; V62-I81 HydrophobicContact CG2-CG2 3.89Å; L77-I81 HydrophobicContact CD2-CD1 4.4Å; D78-I81 HydrophobicContact CB-CD1 3.95Å; D78-I81 HydrophobicContact CB-CG1 4.17Å; D78-I81 WeakPolarHBondContact O-CB 3.38Å; D78-I81 PolarHBondContact O-N 2.86Å; D78-I81 VanDerWaalsContact O-N 3.12Å; K79-I81 VanDerWaalsContact C-N 3.28Å; K79-I81 PolarHBondContact O-N 3.48Å; I81-R111 VanDerWaalsContact O-CZ 3.24Å; I81-R111 PolarHBondContact O-NH1 3.08Å; I81-R111 PolarHBondContact O-NH2 3.25Å
82P94.8Very high95.3Very high19 Ų1934 Ų3412%0.12318%0.177CC..  trans-70137.1177.628.1-33.7000111.3K60 L61 V62 F113 I362K60-P82 VanDerWaalsContact O-CD 3.27Å; K60-P82 WeakPolarHBondContact O-CD 3.33Å; K60-P82 WeakPolarHBondContact O-CG 3.34Å; L61-P82 HydrophobicContact CD1-CB 4.48Å; L61-P82 HydrophobicContact CD1-CG 4.42Å; L61-P82 WeakPolarHBondContact CD1-O 3.49Å; V62-P82 PolarHBondContact N-O 3.38Å; P82-F113 HydrophobicContact CB-CD1 3.61Å; P82-F113 HydrophobicContact CB-CE1 4.07Å; P82-F113 HydrophobicContact CB-CG 4.28Å; P82-I362 HydrophobicContact CB-CG2 3.89Å; P82-I362 HydrophobicContact CG-CG2 3.53Å
83V96.8Very high95.3Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-114.2121.7176.9-179.70000111V62 A64 V74 L77 L108 R111 S112 F113V62-V83 HydrophobicContact CB-CG2 4.45Å; V62-V83 CarbonylContact O-C 3.51Å; V62-V83 WeakPolarHBondContact O-CA 3.33Å; A64-V83 HydrophobicContact CB-CG1 4.34Å; V74-V83 HydrophobicContact CG1-CG1 4.4Å; V74-V83 HydrophobicContact CG1-CG2 4Å; V74-V83 HydrophobicContact CG2-CG1 4.47Å; L77-V83 HydrophobicContact CD1-CG2 4.25Å; V83-L108 HydrophobicContact CG1-CD1 3.88Å; V83-R111 HydrophobicContact CG2-CG 4.25Å; V83-S112 CarbonylContact O-C 3.48Å; V83-S112 VanDerWaalsContact O-CA 3.23Å; V83-S112 WeakPolarHBondContact O-CA 3.13Å; V83-F113 WeakPolarHBondContact O-CD1 3.34Å; V83-F113 WeakPolarHBondContact O-CE1 3.48Å; V83-F113 PolarHBondContact O-N 2.9Å
84L96.9Very high95.1Very high0 Ų031.9 Ų31.90%017%0.173CC..EExtended strand (participates in β ladder)trans-98.8111.8169.3170.459.1000108.3L61 V62 I63 A64 F113 A114 V116 Y355 I358L61-L84 HydrophobicContact CD1-CB 4.07Å; V62-L84 PolarHBondContact O-N 3.42Å; I63-L84 CarbonylContact C-O 3.54Å; I63-L84 VanDerWaalsContact CA-O 3.26Å; I63-L84 WeakPolarHBondContact CA-O 3.41Å; I63-L84 HydrophobicContact CD1-CD2 4.38Å; I63-L84 HydrophobicContact CG1-CB 4.4Å; I63-L84 HydrophobicContact CG1-CD2 4.22Å; A64-L84 PolarHBondContact N-O 3.33Å; L84-F113 HydrophobicContact CB-CE1 3.63Å; L84-F113 HydrophobicContact CB-CZ 3.85Å; L84-F113 HydrophobicContact CD1-CZ 4.42Å; L84-A114 WeakPolarHBondContact CA-O 3.46Å; L84-A114 HydrophobicContact CD1-CB 3.73Å; L84-V116 HydrophobicContact CD1-CG2 3.8Å; L84-Y355 HydrophobicContact CD2-CD1 4.11Å; L84-Y355 HydrophobicContact CD2-CE1 4.09Å; L84-I358 HydrophobicContact CD1-CD1 4.41Å; L84-I358 HydrophobicContact CD1-CG2 4.18Å
85S98Very high95Very high0 Ų032.8 Ų32.80%018%0.177CC..EExtended strand (participates in β ladder)trans-92.6138.7175.8-72.60000111.3L108 S112 A114 V115 V116S85-L108 WeakPolarHBondContact OG-CG 3.43Å; S85-S112 WeakPolarHBondContact CB-OG 3.39Å; S85-S112 PolarHBondContact OG-OG 3.07Å; S85-A114 PolarHBondContact N-O 2.67Å; S85-V115 CarbonylContact O-C 3.47Å; S85-V115 WeakPolarHBondContact O-CA 3.4Å; S85-V116 PolarHBondContact O-N 2.85Å
86I97.4Very high94.8Very high1 Ų134 Ų341%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-119.8115.4173.7-53.1-175.8000107.6I22 I63 A64 L65 H66 V116 L118 Y355I22-I86 HydrophobicContact CD1-CD1 3.35Å; I63-I86 HydrophobicContact CG2-CD1 3.62Å; I63-I86 HydrophobicContact CG2-CG1 4.02Å; A64-I86 PolarHBondContact O-N 3.44Å; L65-I86 HydrophobicContact CD2-CB 3.58Å; L65-I86 HydrophobicContact CD2-CD1 3.59Å; L65-I86 HydrophobicContact CD2-CG1 3.93Å; L65-I86 HydrophobicContact CD2-CG2 3.99Å; H66-I86 PolarHBondContact N-O 2.93Å; I86-V116 WeakPolarHBondContact CA-O 3.4Å; I86-V116 HydrophobicContact CG1-CB 4.14Å; I86-V116 HydrophobicContact CG1-CG1 4.5Å; I86-V116 HydrophobicContact CG2-CG1 4.24Å; I86-L118 HydrophobicContact CG2-CD2 4.06Å; I86-Y355 HydrophobicContact CD1-CE1 4.18Å; I86-Y355 WeakPolarHBondContact CD1-OH 3.45Å
87C97.1Very high94.7Very high0 Ų035.7 Ų35.70%019%0.186CC..  trans-75.1135.3176.6-64.20000109.8D91 V92 V116 L117 L118 M122C87-D91 WeakPolarHBondContact CA-OD2 3.24Å; C87-V92 HydrophobicContact CB-CG2 3.6Å; C87-V116 PolarHBondContact N-O 3Å; C87-L117 HydrophobicContact CB-CD1 3.61Å; C87-L117 VanDerWaalsContact SG-CD1 3.5Å; C87-L118 WeakPolarHBondContact O-CG 3.47Å; C87-M122 HydrophobicContact CB-CG 4.48Å; C87-M122 HydrophobicContact CB-SD 3.48Å; C87-M122 WeakPolarHBondContact CB-SD 3.42Å
88T93.8Very high94.6Very high21 Ų2139.4 Ų39.413%0.12920%0.203CC..  trans-115-4.2-168.956.50000114.2L65 H66 D91 G274L65-T88 HydrophobicContact CB-CG2 4.48Å; H66-T88 HydrophobicContact CB-CG2 4.25Å; H66-T88 WeakPolarHBondContact CB-OG1 3.42Å; H66-T88 PolarHBondContact CD2-OG1 3.4Å; T88-D91 PolarHBondContact N-OD1 2.9Å; T88-D91 VanDerWaalsContact N-OD1 3.07Å; T88-D91 PolarHBondContact N-OD2 3.39Å; T88-G274 WeakPolarHBondContact O-CA 3.19Å
89G92.7Very high94.7Very high1 Ų141.8 Ų41.81%0.0121%0.212CC..SBendtrans129.6-72.2174.500000111.4D91 V92 Y93G89-D91 PolarHBondContact N-OD1 2.91Å; G89-D91 PolarHBondContact O-N 2.8Å; G89-V92 PolarHBondContact O-N 3.4Å; G89-Y93 WeakPolarHBondContact O-CD2 3.44Å; G89-Y93 PolarHBondContact O-N 2.97Å
90T92Very high94.9Very high13 Ų1337.3 Ų37.38%0.0820%0.2CC..Hα-helixtrans-61.1-32.9-174.441.70000113.2H66 M94 D95 V183H66-T90 PolarHBondContact NE2-OG1 2.74Å; T90-M94 HydrophobicContact CG2-SD 4.19Å; T90-M94 PolarHBondContact O-N 3.02Å; T90-D95 PolarHBondContact O-N 3.3Å; T90-V183 HydrophobicContact CG2-CG1 4.37Å; T90-V183 HydrophobicContact CG2-CG2 4.16Å
91D94.2Very high95.1Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-57.6-46.5172.440.310.8000112.9H66 L67 C87 T88 G89 M105H66-D91 WeakPolarHBondContact CA-OD2 3.43Å; H66-D91 IonicContact CG-OD2 3.2Å; H66-D91 IonicContact ND1-OD2 2.74Å; L67-D91 HydrophobicContact CB-CB 4Å; L67-D91 HydrophobicContact CD1-CB 4.44Å; L67-D91 HydrophobicContact CG-CB 4.41Å; L67-D91 PolarHBondContact N-OD2 3.22Å; C87-D91 WeakPolarHBondContact CA-OD2 3.24Å; T88-D91 PolarHBondContact N-OD1 2.9Å; T88-D91 VanDerWaalsContact N-OD1 3.07Å; T88-D91 PolarHBondContact N-OD2 3.39Å; G89-D91 PolarHBondContact N-OD1 2.91Å; G89-D91 PolarHBondContact O-N 2.8Å; D91-M105 HydrophobicContact CB-SD 3.67Å; D91-M105 WeakPolarHBondContact O-CE 3.43Å
92V95.5Very high95.2Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-85-35.7-175.9175.90000112.4C87 G89 R96 M122 Q125C87-V92 HydrophobicContact CB-CG2 3.6Å; G89-V92 PolarHBondContact O-N 3.4Å; V92-R96 VanDerWaalsContact O-CD 3.24Å; V92-R96 WeakPolarHBondContact O-CD 3.25Å; V92-R96 PolarHBondContact O-NE 2.93Å; V92-M122 HydrophobicContact CB-CG 4.02Å; V92-M122 HydrophobicContact CG1-CG 3.85Å; V92-M122 HydrophobicContact CG2-CG 4.01Å; V92-M122 HydrophobicContact CG2-SD 4.41Å; V92-Q125 HydrophobicContact CG1-CB 3.66Å; V92-Q125 HydrophobicContact CG1-CG 3.54Å; V92-Q125 VanDerWaalsContact O-CG 3.29Å; V92-Q125 WeakPolarHBondContact O-CG 3.28Å
93Y93.9Very high95.4Very high28 Ų2844 Ų4411%0.1122%0.216CC..Hα-helixtrans-91.3-36.6-173.7-63.3-53.1000114.1G89 N119 M122 Q125 E273 P295G89-Y93 WeakPolarHBondContact O-CD2 3.44Å; G89-Y93 PolarHBondContact O-N 2.97Å; Y93-N119 PolarHBondContact OH-OD1 3.5Å; Y93-M122 HydrophobicContact CE2-CE 4.24Å; Y93-M122 VanDerWaalsContact OH-CA 3.32Å; Y93-M122 WeakPolarHBondContact OH-CA 3.4Å; Y93-M122 WeakPolarHBondContact OH-CB 3.43Å; Y93-M122 PolarHBondContact OH-N 3.27Å; Y93-M122 VanDerWaalsContact OH-N 3.07Å; Y93-Q125 HydrophobicContact CD1-CB 4.34Å; Y93-Q125 HydrophobicContact CD1-CG 4.09Å; Y93-Q125 HydrophobicContact CE1-CB 4.12Å; Y93-Q125 HydrophobicContact CE1-CG 4.38Å; Y93-E273 VanDerWaalsContact CE2-O 3.24Å; Y93-E273 WeakPolarHBondContact CE2-O 3.43Å; Y93-P295 HydrophobicContact CE1-CB 4Å; Y93-P295 HydrophobicContact CE1-CG 4.32Å
94M92.8Very high95.4Very high78 Ų7847.4 Ų47.438%0.38423%0.233SC..THydrogen-bonded Turntrans-115.9-54.6-169.3-64.7-176.664.500112.6T90 R96 T97 V183T90-M94 HydrophobicContact CG2-SD 4.19Å; T90-M94 PolarHBondContact O-N 3.02Å; M94-R96 PolarHBondContact O-N 3.41Å; M94-T97 PolarHBondContact O-N 3.14Å; M94-T97 VanDerWaalsContact O-N 3.09Å; M94-T97 PolarHBondContact O-OG1 2.98Å; M94-V183 HydrophobicContact CE-CG2 4.46Å; M94-V183 HydrophobicContact SD-CB 4.5Å; M94-V183 HydrophobicContact SD-CG2 3.54Å; M94-V183 VanDerWaalsContact SD-CG2 3.54Å
95D94.2Very high95.4Very high19 Ų1947.4 Ų47.410%0.10223%0.233CC..G310 helixtrans-61.6-24.6-170.2-69.9-12.4000112.5H66 R68 T90 T97 H98 Y101 M105H66-D95 IonicContact CE1-OD2 2.66Å; H66-D95 PolarHBondContact CE1-OD2 3.34Å; H66-D95 VanDerWaalsContact CE1-OD2 3.3Å; H66-D95 IonicContact NE2-OD2 3.64Å; R68-D95 WeakPolarHBondContact CD-OD2 3.44Å; R68-D95 IonicContact CZ-OD2 3.34Å; R68-D95 IonicContact NE-OD1 2.61Å; R68-D95 IonicContact NE-OD2 3.34Å; R68-D95 PolarHBondContact NE-OD2 2.89Å; R68-D95 IonicContact NH2-OD2 2.75Å; T90-D95 PolarHBondContact O-N 3.3Å; D95-T97 PolarHBondContact O-N 2.74Å; D95-T97 VanDerWaalsContact O-N 3.11Å; D95-H98 PolarHBondContact O-N 3.37Å; D95-Y101 HydrophobicContact CB-CD2 4.1Å; D95-Y101 WeakPolarHBondContact O-CB 3.27Å; D95-M105 HydrophobicContact CB-CE 3.73Å; D95-M105 HydrophobicContact CB-SD 3.92Å
96R93.3Very high95.4Very high87 Ų8749.4 Ų49.433%0.32825%0.245SC..G310 helixtrans-59.7-20.8177.568.5172.4-179.697.6-7.7114V92 M94 H98 L102 M105 Q125 T129V92-R96 VanDerWaalsContact O-CD 3.24Å; V92-R96 WeakPolarHBondContact O-CD 3.25Å; V92-R96 PolarHBondContact O-NE 2.93Å; M94-R96 PolarHBondContact O-N 3.41Å; R96-H98 VanDerWaalsContact C-N 3.32Å; R96-L102 HydrophobicContact CB-CD1 4.42Å; R96-M105 HydrophobicContact CB-CE 4.31Å; R96-Q125 VanDerWaalsContact NE-CD 3.34Å; R96-T129 HydrophobicContact CB-CG2 4.42Å
97T92.9Very high95.4Very high115 Ų11553.8 Ų53.871%0.70626%0.262SS*.G310 helixtrans-80.1-15.117861.70000113M94 D95M94-T97 PolarHBondContact O-N 3.14Å; M94-T97 VanDerWaalsContact O-N 3.09Å; M94-T97 PolarHBondContact O-OG1 2.98Å; D95-T97 PolarHBondContact O-N 2.74Å; D95-T97 VanDerWaalsContact O-N 3.11Å
98H96Very high95.4Very high88 Ų8853.8 Ų53.841%0.40726%0.262SS..SBendtrans-98.6115.6178.9-171-66.3000110.3D95 R96 V100 Y101 L102D95-H98 PolarHBondContact O-N 3.37Å; R96-H98 VanDerWaalsContact C-N 3.32Å; H98-V100 PolarHBondContact ND1-N 3.49Å; H98-V100 PolarHBondContact O-N 2.91Å; H98-Y101 HydrophobicContact CB-CD2 3.53Å; H98-Y101 HydrophobicContact CB-CE2 4.14Å; H98-Y101 HydrophobicContact CB-CG 3.92Å; H98-Y101 AromaticContact CG-CD2 3.67Å; H98-Y101 AromaticContact CG-CE2 3.91Å; H98-Y101 AromaticContact CG-CG 3.9Å; H98-Y101 AromaticContact ND1-CD1 3.85Å; H98-Y101 AromaticContact ND1-CD2 3.98Å; H98-Y101 AromaticContact ND1-CG 3.75Å; H98-Y101 WeakPolarHBondContact O-CB 3.04Å; H98-Y101 PolarHBondContact O-N 3.14Å; H98-L102 PolarHBondContact O-N 3.46Å
99E96.5Very high95.6Very high130 Ų13052.8 Ų52.861%0.60726%0.256SS*.Hα-helixtrans-54.3-45.2-169.4-167.8-166.6154.600113.7Y101 L102 K103E99-Y101 VanDerWaalsContact C-N 3.32Å; E99-Y101 PolarHBondContact O-N 3.28Å; E99-L102 PolarHBondContact O-N 2.93Å; E99-K103 WeakPolarHBondContact O-CG 3.34Å; E99-K103 PolarHBondContact O-N 3.18Å; E99-K103 VanDerWaalsContact OE1-CE 3.28Å; E99-K103 WeakPolarHBondContact OE1-CE 3.5Å; E99-K103 IonicContact OE1-NZ 2.67Å; E99-K103 PolarHBondContact OE1-NZ 2.74Å
100V96.9Very high95.7Very high85 Ų8558 Ų5852%0.51528%0.284SS..Hα-helixtrans-63.4-39.4178.5179.70000111.5H98 K103 L104H98-V100 PolarHBondContact ND1-N 3.49Å; H98-V100 PolarHBondContact O-N 2.91Å; V100-K103 PolarHBondContact O-N 2.85Å; V100-L104 HydrophobicContact CG1-CD1 4.48Å; V100-L104 WeakPolarHBondContact O-CG 3.3Å; V100-L104 PolarHBondContact O-N 3.23Å; V100-L104 VanDerWaalsContact O-N 3.16Å
101Y97.2Very high95.9Very high75 Ų7559.4 Ų59.429%0.29429%0.288SS..Hα-helixtrans-71.4-41.1-179.4-62.7-12.6000110.3R68 D95 H98 E99 K103 L104 M105R68-Y101 VanDerWaalsContact CD-CD1 3.46Å; R68-Y101 VanDerWaalsContact CD-CD2 3.44Å; R68-Y101 HydrophobicContact CG-CD1 4.23Å; R68-Y101 HydrophobicContact CG-CG 4.23Å; D95-Y101 HydrophobicContact CB-CD2 4.1Å; D95-Y101 WeakPolarHBondContact O-CB 3.27Å; H98-Y101 HydrophobicContact CB-CD2 3.53Å; H98-Y101 HydrophobicContact CB-CE2 4.14Å; H98-Y101 HydrophobicContact CB-CG 3.92Å; H98-Y101 AromaticContact CG-CD2 3.67Å; H98-Y101 AromaticContact CG-CE2 3.91Å; H98-Y101 AromaticContact CG-CG 3.9Å; H98-Y101 AromaticContact ND1-CD1 3.85Å; H98-Y101 AromaticContact ND1-CD2 3.98Å; H98-Y101 AromaticContact ND1-CG 3.75Å; H98-Y101 WeakPolarHBondContact O-CB 3.04Å; H98-Y101 PolarHBondContact O-N 3.14Å; E99-Y101 VanDerWaalsContact C-N 3.32Å; E99-Y101 PolarHBondContact O-N 3.28Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.13Å; Y101-L104 PolarHBondContact O-N 3.21Å; Y101-M105 WeakPolarHBondContact O-CB 3.4Å; Y101-M105 VanDerWaalsContact O-CG 3.23Å; Y101-M105 WeakPolarHBondContact O-CG 3.34Å; Y101-M105 PolarHBondContact O-N 2.71Å
102L97.3Very high96Very high54 Ų5459.7 Ų59.728%0.28329%0.29SS..Hα-helixtrans-56.3-45.6173.7-176.460.9000111.3R96 H98 E99 L104 M105 T106 T129 W130R96-L102 HydrophobicContact CB-CD1 4.42Å; H98-L102 PolarHBondContact O-N 3.46Å; E99-L102 PolarHBondContact O-N 2.93Å; L102-L104 PolarHBondContact O-N 2.91Å; L102-M105 PolarHBondContact O-N 3.33Å; L102-T106 WeakPolarHBondContact O-CB 3.46Å; L102-T106 PolarHBondContact O-N 3.33Å; L102-T106 PolarHBondContact O-OG1 2.94Å; L102-T129 HydrophobicContact CD1-CG2 3.79Å; L102-W130 HydrophobicContact CD1-CZ2 4.12Å
103K97.1Very high96Very high130 Ų13062 Ų6257%0.56530%0.3SS*.Hα-helixtrans-59.1-46.1176.2-71.8175-174.2167.60112.8E99 V100 Y101 Y107E99-K103 WeakPolarHBondContact O-CG 3.34Å; E99-K103 PolarHBondContact O-N 3.18Å; E99-K103 VanDerWaalsContact OE1-CE 3.28Å; E99-K103 WeakPolarHBondContact OE1-CE 3.5Å; E99-K103 IonicContact OE1-NZ 2.67Å; E99-K103 PolarHBondContact OE1-NZ 2.74Å; V100-K103 PolarHBondContact O-N 2.85Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.13Å; K103-Y107 PolarHBondContact O-N 2.89Å; K103-Y107 VanDerWaalsContact O-N 3.08Å
104L97.1Very high96.1Very high71 Ų7160.7 Ų60.737%0.37230%0.295SS..Hα-helixtrans-63.4-41.5177.8-70.8174.4000112.3V100 Y101 L102 L108V100-L104 HydrophobicContact CG1-CD1 4.48Å; V100-L104 WeakPolarHBondContact O-CG 3.3Å; V100-L104 PolarHBondContact O-N 3.23Å; V100-L104 VanDerWaalsContact O-N 3.16Å; Y101-L104 PolarHBondContact O-N 3.21Å; L102-L104 PolarHBondContact O-N 2.91Å; L104-L108 PolarHBondContact O-N 3.44Å
105M97.8Very high96.4Very high0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-69.1-44.2178.4-68.5-171.1-59.800111.7L67 R68 D91 D95 R96 Y101 L102 Y107 L108 V109 W130L67-M105 HydrophobicContact CB-CB 4.01Å; L67-M105 HydrophobicContact CB-CG 3.65Å; L67-M105 HydrophobicContact CB-SD 4.04Å; L67-M105 HydrophobicContact CD1-CB 4.4Å; R68-M105 HydrophobicContact CB-CG 3.91Å; R68-M105 HydrophobicContact CB-SD 4.12Å; D91-M105 HydrophobicContact CB-SD 3.67Å; D91-M105 WeakPolarHBondContact O-CE 3.43Å; D95-M105 HydrophobicContact CB-CE 3.73Å; D95-M105 HydrophobicContact CB-SD 3.92Å; R96-M105 HydrophobicContact CB-CE 4.31Å; Y101-M105 WeakPolarHBondContact O-CB 3.4Å; Y101-M105 VanDerWaalsContact O-CG 3.23Å; Y101-M105 WeakPolarHBondContact O-CG 3.34Å; Y101-M105 PolarHBondContact O-N 2.71Å; L102-M105 PolarHBondContact O-N 3.33Å; M105-Y107 VanDerWaalsContact C-N 3.33Å; M105-Y107 PolarHBondContact O-N 3.27Å; M105-L108 PolarHBondContact O-N 3.43Å; M105-L108 VanDerWaalsContact O-N 3.12Å; M105-V109 WeakPolarHBondContact O-CG2 3.47Å; M105-V109 PolarHBondContact O-N 3.2Å; M105-W130 HydrophobicContact CB-CH2 4.16Å; M105-W130 HydrophobicContact CB-CZ2 3.78Å; M105-W130 HydrophobicContact CE-CH2 4.49Å
106T97.5Very high96.5Very high41 Ų4156.1 Ų56.125%0.25227%0.272SS..Hα-helixtrans-58-45176-61.80000111.3L102 L108 V109 D110 W130L102-T106 WeakPolarHBondContact O-CB 3.46Å; L102-T106 PolarHBondContact O-N 3.33Å; L102-T106 PolarHBondContact O-OG1 2.94Å; T106-L108 VanDerWaalsContact C-N 3.3Å; T106-L108 PolarHBondContact O-N 2.92Å; T106-V109 PolarHBondContact O-N 2.99Å; T106-D110 VanDerWaalsContact O-CG 3.26Å; T106-D110 PolarHBondContact O-N 3.34Å; T106-W130 PolarHBondContact OG1-NE1 3.13Å
107Y96.8Very high96.8Very high94 Ų9452 Ų5237%0.36926%0.256SS..Hα-helixtrans-54.3-46.4174.5170.3-95.1000112.4S75 K103 M105 R111S75-Y107 WeakPolarHBondContact CA-OH 3.21Å; K103-Y107 PolarHBondContact O-N 2.89Å; K103-Y107 VanDerWaalsContact O-N 3.08Å; M105-Y107 VanDerWaalsContact C-N 3.33Å; M105-Y107 PolarHBondContact O-N 3.27Å; Y107-R111 VanDerWaalsContact O-CB 3.29Å; Y107-R111 WeakPolarHBondContact O-CB 3.27Å; Y107-R111 PolarHBondContact O-N 2.93Å
108L97.5Very high96.9Very high0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-69.7-39.1179.7177.556.2000112.1A64 L67 C70 V74 V83 S85 L104 M105 T106 R111 S112A64-L108 HydrophobicContact CB-CD2 4.17Å; L67-L108 HydrophobicContact CB-CD2 4.41Å; L67-L108 HydrophobicContact CD2-CD2 3.96Å; L67-L108 HydrophobicContact CD2-CG 4.02Å; L67-L108 WeakPolarHBondContact O-CD2 3.38Å; C70-L108 HydrophobicContact CB-CD2 4.14Å; V74-L108 HydrophobicContact CB-CD1 3.82Å; V74-L108 HydrophobicContact CG1-CD1 3.52Å; V74-L108 HydrophobicContact CG2-CD1 3.74Å; V83-L108 HydrophobicContact CG1-CD1 3.88Å; S85-L108 WeakPolarHBondContact OG-CG 3.43Å; L104-L108 PolarHBondContact O-N 3.44Å; M105-L108 PolarHBondContact O-N 3.43Å; M105-L108 VanDerWaalsContact O-N 3.12Å; T106-L108 VanDerWaalsContact C-N 3.3Å; T106-L108 PolarHBondContact O-N 2.92Å; L108-R111 PolarHBondContact O-N 3.4Å; L108-S112 WeakPolarHBondContact O-CB 3.22Å; L108-S112 PolarHBondContact O-N 3.07Å; L108-S112 PolarHBondContact O-OG 3.35Å
109V97.9Very high97Very high0 Ų042.6 Ų42.60%021%0.205CC..Hα-helixtrans-58.1-50.2174.4168.10000110.1L67 M105 T106 R111 S112 F126 W130 Y133L67-V109 HydrophobicContact CD1-CG2 3.79Å; L67-V109 HydrophobicContact CD2-CG2 3.92Å; M105-V109 WeakPolarHBondContact O-CG2 3.47Å; M105-V109 PolarHBondContact O-N 3.2Å; T106-V109 PolarHBondContact O-N 2.99Å; V109-R111 PolarHBondContact O-N 3.44Å; V109-S112 WeakPolarHBondContact O-CB 3.28Å; V109-S112 PolarHBondContact O-N 3.13Å; V109-F126 HydrophobicContact CG1-CE2 4.39Å; V109-F126 HydrophobicContact CG1-CZ 3.86Å; V109-F126 HydrophobicContact CG2-CE2 3.98Å; V109-F126 HydrophobicContact CG2-CZ 4.28Å; V109-W130 HydrophobicContact CG1-CB 4.31Å; V109-W130 HydrophobicContact CG1-CD2 4.32Å; V109-W130 HydrophobicContact CG1-CG 4.02Å; V109-W130 HydrophobicContact CG2-CD2 4.02Å; V109-W130 HydrophobicContact CG2-CE3 4.27Å; V109-W130 HydrophobicContact CG2-CH2 4.32Å; V109-W130 HydrophobicContact CG2-CZ2 4.07Å; V109-W130 HydrophobicContact CG2-CZ3 4.41Å; V109-Y133 HydrophobicContact CG1-CD2 3.6Å; V109-Y133 HydrophobicContact CG1-CE2 4.13Å; V109-Y133 HydrophobicContact CG1-CG 4.21Å; V109-Y133 VanDerWaalsContact O-CE2 3.28Å; V109-Y133 WeakPolarHBondContact O-CE2 3.27Å
110D96.3Very high97Very high111 Ų11141.7 Ų41.759%0.59420%0.2SC*.Hα-helixtrans-62-33.1178.3-65.1-19.9000112.4T106 S112T106-D110 VanDerWaalsContact O-CG 3.26Å; T106-D110 PolarHBondContact O-N 3.34Å; D110-S112 VanDerWaalsContact C-N 3.31Å
111R95.4Very high97Very high42 Ų4239.5 Ų39.516%0.15819%0.188CC..Hα-helixtrans-75.2-18.7177.3-175.758.6-178.583.52.6113.5V74 D78 K79 I81 V83 Y107 L108 V109V74-R111 HydrophobicContact CG1-CG 3.84Å; D78-R111 PolarHBondContact O-NH2 3.36Å; K79-R111 VanDerWaalsContact C-NH2 3.35Å; K79-R111 VanDerWaalsContact CA-NH2 3.35Å; K79-R111 PolarHBondContact O-NH2 2.83Å; K79-R111 VanDerWaalsContact O-NH2 3.15Å; I81-R111 VanDerWaalsContact O-CZ 3.24Å; I81-R111 PolarHBondContact O-NH1 3.08Å; I81-R111 PolarHBondContact O-NH2 3.25Å; V83-R111 HydrophobicContact CG2-CG 4.25Å; Y107-R111 VanDerWaalsContact O-CB 3.29Å; Y107-R111 WeakPolarHBondContact O-CB 3.27Å; Y107-R111 PolarHBondContact O-N 2.93Å; L108-R111 PolarHBondContact O-N 3.4Å; V109-R111 PolarHBondContact O-N 3.44Å
112S96.8Very high97Very high5 Ų536 Ų364%0.03517%0.174CC..  trans-84.5125.2-172.5-61.90000111.6V83 S85 L108 V109 D110 A114 Y133V83-S112 CarbonylContact O-C 3.48Å; V83-S112 VanDerWaalsContact O-CA 3.23Å; V83-S112 WeakPolarHBondContact O-CA 3.13Å; S85-S112 WeakPolarHBondContact CB-OG 3.39Å; S85-S112 PolarHBondContact OG-OG 3.07Å; L108-S112 WeakPolarHBondContact O-CB 3.22Å; L108-S112 PolarHBondContact O-N 3.07Å; L108-S112 PolarHBondContact O-OG 3.35Å; V109-S112 WeakPolarHBondContact O-CB 3.28Å; V109-S112 PolarHBondContact O-N 3.13Å; D110-S112 VanDerWaalsContact C-N 3.31Å; S112-A114 PolarHBondContact O-N 3.41Å; S112-Y133 WeakPolarHBondContact O-CE2 3.41Å; S112-Y133 PolarHBondContact O-OH 3.32Å
113F94.8Very high97Very high49 Ų4934.7 Ų34.722%0.21517%0.168CC..SBendtrans-70.3-28.3172.782.8-88.5000111.3L61 P82 V83 L84 Y133 G135 Q136 I358 I362L61-F113 HydrophobicContact CD1-CE1 3.61Å; L61-F113 HydrophobicContact CD1-CZ 4.22Å; P82-F113 HydrophobicContact CB-CD1 3.61Å; P82-F113 HydrophobicContact CB-CE1 4.07Å; P82-F113 HydrophobicContact CB-CG 4.28Å; V83-F113 WeakPolarHBondContact O-CD1 3.34Å; V83-F113 WeakPolarHBondContact O-CE1 3.48Å; V83-F113 PolarHBondContact O-N 2.9Å; L84-F113 HydrophobicContact CB-CE1 3.63Å; L84-F113 HydrophobicContact CB-CZ 3.85Å; L84-F113 HydrophobicContact CD1-CZ 4.42Å; F113-Y133 VanDerWaalsContact C-OH 3.28Å; F113-Y133 PolarHBondContact O-OH 3.47Å; F113-G135 WeakPolarHBondContact O-CA 3.41Å; F113-Q136 PolarHBondContact O-N 3.4Å; F113-I358 HydrophobicContact CE2-CG2 3.45Å; F113-I358 VanDerWaalsContact CE2-CG2 3.45Å; F113-I358 HydrophobicContact CZ-CG2 3.58Å; F113-I362 HydrophobicContact CD1-CD1 4.42Å; F113-I362 HydrophobicContact CD1-CG1 4.44Å; F113-I362 HydrophobicContact CD2-CD1 4.47Å; F113-I362 HydrophobicContact CD2-CG1 3.86Å; F113-I362 HydrophobicContact CE1-CD1 3.6Å; F113-I362 HydrophobicContact CE1-CG1 4.01Å; F113-I362 HydrophobicContact CE2-CD1 3.65Å; F113-I362 HydrophobicContact CE2-CG1 3.33Å; F113-I362 HydrophobicContact CG-CG1 4.42Å; F113-I362 HydrophobicContact CZ-CD1 3.18Å; F113-I362 HydrophobicContact CZ-CG1 3.47Å; F113-I362 VanDerWaalsContact CZ-CG1 3.47Å
114A96.7Very high97Very high1 Ų135.2 Ų35.21%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-143.4146.5174.900000111.2L84 S85 S112 Y133 Q136 I358L84-A114 WeakPolarHBondContact CA-O 3.46Å; L84-A114 HydrophobicContact CD1-CB 3.73Å; S85-A114 PolarHBondContact N-O 2.67Å; S112-A114 PolarHBondContact O-N 3.41Å; A114-Y133 VanDerWaalsContact C-OH 3.28Å; A114-Y133 WeakPolarHBondContact CA-OH 3.36Å; A114-Y133 PolarHBondContact N-OH 2.92Å; A114-Q136 CarbonylContact C-O 3.49Å; A114-Q136 WeakPolarHBondContact CA-O 3.42Å; A114-Q136 HydrophobicContact CB-CB 3.86Å; A114-I358 HydrophobicContact CB-CG2 3.79Å
115V98Very high97Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-122.7129.1172177.70000109.2S85 L117 F126 Y133 Q136 L137 Q138S85-V115 CarbonylContact O-C 3.47Å; S85-V115 WeakPolarHBondContact O-CA 3.4Å; V115-L117 HydrophobicContact CG1-CD1 3.97Å; V115-L117 HydrophobicContact CG1-CD2 4.2Å; V115-F126 HydrophobicContact CB-CE2 4.42Å; V115-F126 HydrophobicContact CB-CZ 4.26Å; V115-F126 HydrophobicContact CG1-CD2 4.25Å; V115-F126 HydrophobicContact CG1-CE2 3.68Å; V115-F126 HydrophobicContact CG1-CZ 4Å; V115-F126 HydrophobicContact CG2-CE2 4.38Å; V115-F126 HydrophobicContact CG2-CZ 4.14Å; V115-Y133 HydrophobicContact CB-CE1 4.02Å; V115-Y133 HydrophobicContact CG2-CE1 3.82Å; V115-Y133 HydrophobicContact CG2-CE2 4.1Å; V115-Y133 PolarHBondContact N-OH 3.38Å; V115-Q136 PolarHBondContact N-O 3.34Å; V115-L137 HydrophobicContact CB-CD1 3.89Å; V115-L137 HydrophobicContact CG1-CD1 4.14Å; V115-Q138 PolarHBondContact O-N 2.93Å
116V97.8Very high97Very high0 Ų033.2 Ų33.20%016%0.159CC..EExtended strand (participates in β ladder)trans-108.1131.6176.1166.70000110.1L84 S85 I86 C87 Q138 I140 Y355 I358L84-V116 HydrophobicContact CD1-CG2 3.8Å; S85-V116 PolarHBondContact O-N 2.85Å; I86-V116 WeakPolarHBondContact CA-O 3.4Å; I86-V116 HydrophobicContact CG1-CB 4.14Å; I86-V116 HydrophobicContact CG1-CG1 4.5Å; I86-V116 HydrophobicContact CG2-CG1 4.24Å; C87-V116 PolarHBondContact N-O 3Å; V116-Q138 CarbonylContact C-O 3.54Å; V116-Q138 VanDerWaalsContact CA-O 3.32Å; V116-Q138 WeakPolarHBondContact CA-O 3.47Å; V116-I140 HydrophobicContact CG1-CB 3.66Å; V116-I140 HydrophobicContact CG1-CD1 4.11Å; V116-I140 HydrophobicContact CG1-CG1 3.9Å; V116-I140 HydrophobicContact CG2-CD1 3.75Å; V116-I140 HydrophobicContact CG2-CG1 4.2Å; V116-Y355 HydrophobicContact CG2-CE1 4.34Å; V116-I358 HydrophobicContact CG2-CD1 3.55Å
117L97.9Very high97.1Very high0 Ų036.7 Ų36.70%017%0.17CC..EExtended strand (participates in β ladder)trans-113.6144.9176-55.1-49.2000109.2C87 V115 N119 M122 L123 F126 L137 Q138 V139 I140C87-L117 HydrophobicContact CB-CD1 3.61Å; C87-L117 VanDerWaalsContact SG-CD1 3.5Å; V115-L117 HydrophobicContact CG1-CD1 3.97Å; V115-L117 HydrophobicContact CG1-CD2 4.2Å; L117-N119 VanDerWaalsContact C-N 3.35Å; L117-N119 PolarHBondContact O-N 3.29Å; L117-M122 HydrophobicContact CB-CB 4.23Å; L117-M122 HydrophobicContact CB-CG 4.09Å; L117-M122 HydrophobicContact CB-SD 3.94Å; L117-M122 HydrophobicContact CD1-CG 4Å; L117-M122 HydrophobicContact CD1-SD 4Å; L117-M122 HydrophobicContact CG-CG 4.32Å; L117-M122 HydrophobicContact CG-SD 4.48Å; L117-L123 HydrophobicContact CD2-CD1 4.08Å; L117-F126 HydrophobicContact CD1-CB 4.12Å; L117-F126 HydrophobicContact CD1-CD2 3.91Å; L117-F126 HydrophobicContact CD1-CG 4.12Å; L117-F126 HydrophobicContact CG-CB 4.47Å; L117-L137 HydrophobicContact CD2-CD1 3.42Å; L117-L137 VanDerWaalsContact CD2-CD1 3.42Å; L117-L137 HydrophobicContact CD2-CG 3.91Å; L117-Q138 WeakPolarHBondContact CD2-O 3.5Å; L117-Q138 PolarHBondContact N-O 2.99Å; L117-V139 HydrophobicContact CB-CG2 4.49Å; L117-V139 CarbonylContact O-C 3.52Å; L117-V139 VanDerWaalsContact O-CA 3.28Å; L117-V139 WeakPolarHBondContact O-CA 3.34Å; L117-I140 PolarHBondContact O-N 3.13Å
118L96.7Very high97.1Very high7 Ų737.6 Ų37.64%0.03718%0.178CC..SBendtrans-80.7-15.6-173-56.3-179.8000114I86 C87 M122 H141 Q142 Q275I86-L118 HydrophobicContact CG2-CD2 4.06Å; C87-L118 WeakPolarHBondContact O-CG 3.47Å; L118-M122 HydrophobicContact CB-CE 4.16Å; L118-M122 HydrophobicContact CD1-CE 4.41Å; L118-M122 HydrophobicContact CG-CE 4.29Å; L118-H141 WeakPolarHBondContact O-CA 3.37Å; L118-H141 PolarHBondContact O-ND1 3.41Å; L118-Q142 HydrophobicContact CD1-CG 4.42Å; L118-Q142 HydrophobicContact CD2-CG 4.08Å; L118-Q275 HydrophobicContact CB-CB 4Å; L118-Q275 HydrophobicContact CD1-CB 4.24Å; L118-Q275 PolarHBondContact O-NE2 3.31Å
119N96.8Very high97.1Very high0 Ų039.2 Ų39.20%019%0.188CC..SBendtrans-163.3176.2-179.757.441.1000113.5Y93 L117 P121 M122 L123 G274 D299Y93-N119 PolarHBondContact OH-OD1 3.5Å; L117-N119 VanDerWaalsContact C-N 3.35Å; L117-N119 PolarHBondContact O-N 3.29Å; N119-P121 WeakPolarHBondContact OD1-CD 3.39Å; N119-M122 PolarHBondContact O-N 2.97Å; N119-M122 WeakPolarHBondContact OD1-CB 3.21Å; N119-M122 PolarHBondContact OD1-N 3.38Å; N119-L123 PolarHBondContact O-N 2.89Å; N119-L123 VanDerWaalsContact O-N 3.16Å; N119-G274 PolarHBondContact ND2-O 2.83Å; N119-D299 HydrophobicContact CB-CB 4.2Å; N119-D299 WeakPolarHBondContact CB-OD2 3.49Å
120Q96.6Very high97.1Very high110 Ų11040.1 Ų40.151%0.51419%0.192SC..Hα-helixtrans-67.8-42.4-178.9-64.7-63-25.800113.8M122 L123 K124Q120-M122 VanDerWaalsContact C-N 3.27Å; Q120-M122 PolarHBondContact O-N 3.28Å; Q120-L123 WeakPolarHBondContact O-CB 3.38Å; Q120-L123 PolarHBondContact O-N 3.1Å; Q120-K124 PolarHBondContact O-N 3Å
121P97.1Very high97.1Very high40 Ų4039.3 Ų39.326%0.2619%0.192SC..Hα-helixtrans-58.8-38.1174.8-27.837000113.2N119 K124 Q125 P295 D299N119-P121 WeakPolarHBondContact OD1-CD 3.39Å; P121-K124 PolarHBondContact O-N 2.89Å; P121-Q125 PolarHBondContact O-N 2.9Å; P121-Q125 VanDerWaalsContact O-N 3.09Å; P121-P295 HydrophobicContact CB-CB 3.88Å; P121-D299 VanDerWaalsContact CD-OD1 3.26Å; P121-D299 WeakPolarHBondContact CD-OD1 3.48Å; P121-D299 HydrophobicContact CG-CB 4.13Å
122M97.3Very high97.1Very high0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-66.6-40.8176-169.2-176.4-67.500111.7C87 V92 Y93 L117 L118 N119 Q120 K124 Q125 F126C87-M122 HydrophobicContact CB-CG 4.48Å; C87-M122 HydrophobicContact CB-SD 3.48Å; C87-M122 WeakPolarHBondContact CB-SD 3.42Å; V92-M122 HydrophobicContact CB-CG 4.02Å; V92-M122 HydrophobicContact CG1-CG 3.85Å; V92-M122 HydrophobicContact CG2-CG 4.01Å; V92-M122 HydrophobicContact CG2-SD 4.41Å; Y93-M122 HydrophobicContact CE2-CE 4.24Å; Y93-M122 VanDerWaalsContact OH-CA 3.32Å; Y93-M122 WeakPolarHBondContact OH-CA 3.4Å; Y93-M122 WeakPolarHBondContact OH-CB 3.43Å; Y93-M122 PolarHBondContact OH-N 3.27Å; Y93-M122 VanDerWaalsContact OH-N 3.07Å; L117-M122 HydrophobicContact CB-CB 4.23Å; L117-M122 HydrophobicContact CB-CG 4.09Å; L117-M122 HydrophobicContact CB-SD 3.94Å; L117-M122 HydrophobicContact CD1-CG 4Å; L117-M122 HydrophobicContact CD1-SD 4Å; L117-M122 HydrophobicContact CG-CG 4.32Å; L117-M122 HydrophobicContact CG-SD 4.48Å; L118-M122 HydrophobicContact CB-CE 4.16Å; L118-M122 HydrophobicContact CD1-CE 4.41Å; L118-M122 HydrophobicContact CG-CE 4.29Å; N119-M122 PolarHBondContact O-N 2.97Å; N119-M122 WeakPolarHBondContact OD1-CB 3.21Å; N119-M122 PolarHBondContact OD1-N 3.38Å; Q120-M122 VanDerWaalsContact C-N 3.27Å; Q120-M122 PolarHBondContact O-N 3.28Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.38Å; M122-Q125 PolarHBondContact O-N 2.88Å; M122-F126 VanDerWaalsContact O-CB 3.32Å; M122-F126 WeakPolarHBondContact O-CB 3.43Å; M122-F126 PolarHBondContact O-N 2.92Å
123L97.6Very high97.1Very high28 Ų2845.6 Ų45.615%0.14723%0.226CC..Hα-helixtrans-57.6-45.3173.8177.366.1000112.1L117 N119 Q120 F126 K127 L137 V139L117-L123 HydrophobicContact CD2-CD1 4.08Å; N119-L123 PolarHBondContact O-N 2.89Å; N119-L123 VanDerWaalsContact O-N 3.16Å; Q120-L123 WeakPolarHBondContact O-CB 3.38Å; Q120-L123 PolarHBondContact O-N 3.1Å; L123-F126 PolarHBondContact O-N 3.43Å; L123-K127 HydrophobicContact CD1-CD 4.45Å; L123-K127 HydrophobicContact CD1-CG 4.48Å; L123-K127 WeakPolarHBondContact O-CG 3.24Å; L123-K127 PolarHBondContact O-N 3.44Å; L123-L137 HydrophobicContact CD1-CD2 3.46Å; L123-L137 VanDerWaalsContact CD1-CD2 3.46Å; L123-L137 HydrophobicContact CD1-CG 3.74Å; L123-V139 HydrophobicContact CB-CG2 3.87Å; L123-V139 HydrophobicContact CD1-CG2 4.44Å; L123-V139 HydrophobicContact CD2-CG2 3.8Å; L123-V139 HydrophobicContact CG-CG2 4.24Å
124K97.3Very high97Very high140 Ų14049 Ų4961%0.60925%0.253SS*.Hα-helixtrans-59.4-51.2177-178.6-177.7173.8-172.80110.7Q120 P121 M122 F126 K127 E128Q120-K124 PolarHBondContact O-N 3Å; P121-K124 PolarHBondContact O-N 2.89Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.38Å; K124-F126 VanDerWaalsContact C-N 3.3Å; K124-F126 PolarHBondContact O-N 3.28Å; K124-K127 PolarHBondContact O-N 3.2Å; K124-E128 WeakPolarHBondContact CE-OE1 3.32Å; K124-E128 WeakPolarHBondContact O-CG 3.41Å; K124-E128 PolarHBondContact O-N 3.2Å; K124-E128 VanDerWaalsContact O-N 3.13Å
125Q97.1Very high96.8Very high28 Ų2850.2 Ų50.213%0.13127%0.266CS..Hα-helixtrans-64.2-35.6-179-175.163.789.800112.7V92 Y93 R96 P121 M122 E128 T129V92-Q125 HydrophobicContact CG1-CB 3.66Å; V92-Q125 HydrophobicContact CG1-CG 3.54Å; V92-Q125 VanDerWaalsContact O-CG 3.29Å; V92-Q125 WeakPolarHBondContact O-CG 3.28Å; Y93-Q125 HydrophobicContact CD1-CB 4.34Å; Y93-Q125 HydrophobicContact CD1-CG 4.09Å; Y93-Q125 HydrophobicContact CE1-CB 4.12Å; Y93-Q125 HydrophobicContact CE1-CG 4.38Å; R96-Q125 VanDerWaalsContact NE-CD 3.34Å; P121-Q125 PolarHBondContact O-N 2.9Å; P121-Q125 VanDerWaalsContact O-N 3.09Å; M122-Q125 PolarHBondContact O-N 2.88Å; Q125-E128 PolarHBondContact NE2-OE2 3.22Å; Q125-E128 PolarHBondContact O-N 2.8Å; Q125-T129 PolarHBondContact O-N 3.14Å; Q125-T129 PolarHBondContact O-OG1 3.4Å
126F98.1Very high96.6Very high1 Ų152.4 Ų52.40%0.00428%0.276CS..Hα-helixtrans-61.7-49.5174.6-178.1-83.3000111V109 V115 L117 M122 L123 K124 E128 T129 W130 Y133 L137V109-F126 HydrophobicContact CG1-CE2 4.39Å; V109-F126 HydrophobicContact CG1-CZ 3.86Å; V109-F126 HydrophobicContact CG2-CE2 3.98Å; V109-F126 HydrophobicContact CG2-CZ 4.28Å; V115-F126 HydrophobicContact CB-CE2 4.42Å; V115-F126 HydrophobicContact CB-CZ 4.26Å; V115-F126 HydrophobicContact CG1-CD2 4.25Å; V115-F126 HydrophobicContact CG1-CE2 3.68Å; V115-F126 HydrophobicContact CG1-CZ 4Å; V115-F126 HydrophobicContact CG2-CE2 4.38Å; V115-F126 HydrophobicContact CG2-CZ 4.14Å; L117-F126 HydrophobicContact CD1-CB 4.12Å; L117-F126 HydrophobicContact CD1-CD2 3.91Å; L117-F126 HydrophobicContact CD1-CG 4.12Å; L117-F126 HydrophobicContact CG-CB 4.47Å; M122-F126 VanDerWaalsContact O-CB 3.32Å; M122-F126 WeakPolarHBondContact O-CB 3.43Å; M122-F126 PolarHBondContact O-N 2.92Å; L123-F126 PolarHBondContact O-N 3.43Å; K124-F126 VanDerWaalsContact C-N 3.3Å; K124-F126 PolarHBondContact O-N 3.28Å; F126-E128 VanDerWaalsContact C-N 3.28Å; F126-E128 PolarHBondContact O-N 2.92Å; F126-T129 PolarHBondContact O-N 2.99Å; F126-W130 HydrophobicContact CD1-CE3 4.43Å; F126-W130 AromaticContact CD2-CE3 3.37Å; F126-W130 HydrophobicContact CD2-CE3 3.37Å; F126-W130 AromaticContact CD2-CZ3 3.57Å; F126-W130 HydrophobicContact CD2-CZ3 3.57Å; F126-W130 HydrophobicContact CE1-CB 4.13Å; F126-W130 HydrophobicContact CE1-CE3 4.4Å; F126-W130 HydrophobicContact CE2-CD2 4.15Å; F126-W130 AromaticContact CE2-CE3 3.32Å; F126-W130 HydrophobicContact CE2-CE3 3.32Å; F126-W130 AromaticContact CE2-CZ3 3.72Å; F126-W130 HydrophobicContact CE2-CZ3 3.72Å; F126-W130 AromaticContact CG-CE3 3.95Å; F126-W130 HydrophobicContact CG-CE3 3.95Å; F126-W130 HydrophobicContact CG-CZ3 4.41Å; F126-W130 HydrophobicContact CZ-CB 4.19Å; F126-W130 HydrophobicContact CZ-CD2 4.38Å; F126-W130 AromaticContact CZ-CE3 3.89Å; F126-W130 HydrophobicContact CZ-CE3 3.89Å; F126-W130 PolarHBondContact O-N 2.87Å; F126-Y133 HydrophobicContact CE1-CD1 4.09Å; F126-Y133 HydrophobicContact CE1-CG 4.19Å; F126-Y133 HydrophobicContact CZ-CD1 4.25Å; F126-Y133 HydrophobicContact CZ-CG 4.22Å; F126-L137 HydrophobicContact CD1-CD1 3.75Å; F126-L137 HydrophobicContact CD1-CD2 4.05Å; F126-L137 HydrophobicContact CE1-CD1 3.54Å; F126-L137 HydrophobicContact CE1-CD2 4.23Å; F126-L137 HydrophobicContact CG-CD1 4.46Å; F126-L137 HydrophobicContact CZ-CD1 4.08Å
127K97.7Very high96.5Very high114 Ų11455 Ų5550%0.49629%0.29SS..Hα-helixtrans-63.9-30.3179.7-74.5-177.6173.5-177.10113.6L123 K124 T129 P131 L137L123-K127 HydrophobicContact CD1-CD 4.45Å; L123-K127 HydrophobicContact CD1-CG 4.48Å; L123-K127 WeakPolarHBondContact O-CG 3.24Å; L123-K127 PolarHBondContact O-N 3.44Å; K124-K127 PolarHBondContact O-N 3.2Å; K127-T129 VanDerWaalsContact C-N 3.29Å; K127-P131 VanDerWaalsContact O-CA 3.29Å; K127-P131 WeakPolarHBondContact O-CA 3.3Å; K127-P131 WeakPolarHBondContact O-CB 3.3Å; K127-L137 HydrophobicContact CG-CD2 4.12Å
128E97.2Very high96.4Very high113 Ų11357 Ų5753%0.52830%0.299SS..Hα-helixtrans-68.1-29.9172.4-71170.1-174.600112.4K124 Q125 F126K124-E128 WeakPolarHBondContact CE-OE1 3.32Å; K124-E128 WeakPolarHBondContact O-CG 3.41Å; K124-E128 PolarHBondContact O-N 3.2Å; K124-E128 VanDerWaalsContact O-N 3.13Å; Q125-E128 PolarHBondContact NE2-OE2 3.22Å; Q125-E128 PolarHBondContact O-N 2.8Å; F126-E128 VanDerWaalsContact C-N 3.28Å; F126-E128 PolarHBondContact O-N 2.92Å
129T97.4Very high96.5Very high35 Ų3558 Ų5822%0.21531%0.306CS..Hα-helixtrans-90.9-41.3-176.9-50.10000112.1R96 L102 Q125 F126 K127R96-T129 HydrophobicContact CB-CG2 4.42Å; L102-T129 HydrophobicContact CD1-CG2 3.79Å; Q125-T129 PolarHBondContact O-N 3.14Å; Q125-T129 PolarHBondContact O-OG1 3.4Å; F126-T129 PolarHBondContact O-N 2.99Å; K127-T129 VanDerWaalsContact C-N 3.29Å
130W97.9Very high96.5Very high19 Ų1958 Ų587%0.07231%0.306CS..  trans-127.770.9-179.1-59-75.7000110.6L67 L102 M105 T106 V109 F126 D132 Y133L67-W130 HydrophobicContact CD1-CH2 3.7Å; L67-W130 HydrophobicContact CD1-CZ2 4.45Å; L67-W130 HydrophobicContact CD1-CZ3 4.02Å; L102-W130 HydrophobicContact CD1-CZ2 4.12Å; M105-W130 HydrophobicContact CB-CH2 4.16Å; M105-W130 HydrophobicContact CB-CZ2 3.78Å; M105-W130 HydrophobicContact CE-CH2 4.49Å; T106-W130 PolarHBondContact OG1-NE1 3.13Å; V109-W130 HydrophobicContact CG1-CB 4.31Å; V109-W130 HydrophobicContact CG1-CD2 4.32Å; V109-W130 HydrophobicContact CG1-CG 4.02Å; V109-W130 HydrophobicContact CG2-CD2 4.02Å; V109-W130 HydrophobicContact CG2-CE3 4.27Å; V109-W130 HydrophobicContact CG2-CH2 4.32Å; V109-W130 HydrophobicContact CG2-CZ2 4.07Å; V109-W130 HydrophobicContact CG2-CZ3 4.41Å; F126-W130 HydrophobicContact CD1-CE3 4.43Å; F126-W130 AromaticContact CD2-CE3 3.37Å; F126-W130 HydrophobicContact CD2-CE3 3.37Å; F126-W130 AromaticContact CD2-CZ3 3.57Å; F126-W130 HydrophobicContact CD2-CZ3 3.57Å; F126-W130 HydrophobicContact CE1-CB 4.13Å; F126-W130 HydrophobicContact CE1-CE3 4.4Å; F126-W130 HydrophobicContact CE2-CD2 4.15Å; F126-W130 AromaticContact CE2-CE3 3.32Å; F126-W130 HydrophobicContact CE2-CE3 3.32Å; F126-W130 AromaticContact CE2-CZ3 3.72Å; F126-W130 HydrophobicContact CE2-CZ3 3.72Å; F126-W130 AromaticContact CG-CE3 3.95Å; F126-W130 HydrophobicContact CG-CE3 3.95Å; F126-W130 HydrophobicContact CG-CZ3 4.41Å; F126-W130 HydrophobicContact CZ-CB 4.19Å; F126-W130 HydrophobicContact CZ-CD2 4.38Å; F126-W130 AromaticContact CZ-CE3 3.89Å; F126-W130 HydrophobicContact CZ-CE3 3.89Å; F126-W130 PolarHBondContact O-N 2.87Å; W130-D132 VanDerWaalsContact C-N 3.26Å; W130-D132 PolarHBondContact O-N 3.05Å; W130-Y133 PolarHBondContact O-N 3.19Å
131P97Very high96.4Very high93 Ų9354.3 Ų54.360%0.60429%0.289SS*.THydrogen-bonded Turntrans-65-28.9-175.725.5-34.8000113.6K127K127-P131 VanDerWaalsContact O-CA 3.29Å; K127-P131 WeakPolarHBondContact O-CA 3.3Å; K127-P131 WeakPolarHBondContact O-CB 3.3Å
132D95.9Very high96.2Very high149 Ų14952.9 Ų52.980%0.79728%0.278SS*.THydrogen-bonded Turntrans-98.815.9-173.5-56.4-50.3000113.4W130 P134W130-D132 VanDerWaalsContact C-N 3.26Å; W130-D132 PolarHBondContact O-N 3.05Å; D132-P134 VanDerWaalsContact O-CD 3.26Å; D132-P134 WeakPolarHBondContact O-CD 3.24Å; D132-P134 VanDerWaalsContact O-N 3.14Å
133Y96.6Very high96Very high30 Ų3053.1 Ų53.112%0.11828%0.281CS..  trans-59.1117179.4175.2-118000110.8V109 S112 F113 A114 V115 F126 W130 G135 L137V109-Y133 HydrophobicContact CG1-CD2 3.6Å; V109-Y133 HydrophobicContact CG1-CE2 4.13Å; V109-Y133 HydrophobicContact CG1-CG 4.21Å; V109-Y133 VanDerWaalsContact O-CE2 3.28Å; V109-Y133 WeakPolarHBondContact O-CE2 3.27Å; S112-Y133 WeakPolarHBondContact O-CE2 3.41Å; S112-Y133 PolarHBondContact O-OH 3.32Å; F113-Y133 VanDerWaalsContact C-OH 3.28Å; F113-Y133 PolarHBondContact O-OH 3.47Å; A114-Y133 VanDerWaalsContact C-OH 3.28Å; A114-Y133 WeakPolarHBondContact CA-OH 3.36Å; A114-Y133 PolarHBondContact N-OH 2.92Å; V115-Y133 HydrophobicContact CB-CE1 4.02Å; V115-Y133 HydrophobicContact CG2-CE1 3.82Å; V115-Y133 HydrophobicContact CG2-CE2 4.1Å; V115-Y133 PolarHBondContact N-OH 3.38Å; F126-Y133 HydrophobicContact CE1-CD1 4.09Å; F126-Y133 HydrophobicContact CE1-CG 4.19Å; F126-Y133 HydrophobicContact CZ-CD1 4.25Å; F126-Y133 HydrophobicContact CZ-CG 4.22Å; W130-Y133 PolarHBondContact O-N 3.19Å; Y133-G135 VanDerWaalsContact CE1-C 3.42Å; Y133-G135 WeakPolarHBondContact CE1-O 3.44Å; Y133-G135 VanDerWaalsContact CZ-CA 3.46Å; Y133-L137 HydrophobicContact CD1-CB 4.42Å; Y133-L137 HydrophobicContact CD1-CD1 4.04Å; Y133-L137 HydrophobicContact CE1-CB 4.48Å; Y133-L137 HydrophobicContact CE1-CD1 4.19Å
134P91.7Very high95.7Very high120 Ų12052.9 Ų52.978%0.77928%0.279SS*.  trans-87.5-14-170.634.2-36.4000113.6D132D132-P134 VanDerWaalsContact O-CD 3.26Å; D132-P134 WeakPolarHBondContact O-CD 3.24Å; D132-P134 VanDerWaalsContact O-N 3.14Å
135G92.9Very high95.3Very high27 Ų2752.5 Ų52.528%0.27827%0.274SS..SBendtrans-82.1-175.4-175.600000113.5F113 Y133 L137F113-G135 WeakPolarHBondContact O-CA 3.41Å; Y133-G135 VanDerWaalsContact CE1-C 3.42Å; Y133-G135 WeakPolarHBondContact CE1-O 3.44Å; Y133-G135 VanDerWaalsContact CZ-CA 3.46Å; G135-L137 PolarHBondContact O-N 3.01Å
136Q94.3Very high95.2Very high46 Ų4652.8 Ų52.822%0.21528%0.277CS..EExtended strand (participates in β ladder)trans-73.3128.5179-69.8-172.738.300111.5F113 A114 V115 H361F113-Q136 PolarHBondContact O-N 3.4Å; A114-Q136 CarbonylContact C-O 3.49Å; A114-Q136 WeakPolarHBondContact CA-O 3.42Å; A114-Q136 HydrophobicContact CB-CB 3.86Å; V115-Q136 PolarHBondContact N-O 3.34Å; Q136-H361 PolarHBondContact NE2-CD2 3.07Å
137L96Very high95Very high56 Ų5657 Ų5729%0.29330%0.3SS..EExtended strand (participates in β ladder)trans-115.1114.5177.9-163.565.4000109.4V115 L117 L123 F126 K127 Y133 G135V115-L137 HydrophobicContact CB-CD1 3.89Å; V115-L137 HydrophobicContact CG1-CD1 4.14Å; L117-L137 HydrophobicContact CD2-CD1 3.42Å; L117-L137 VanDerWaalsContact CD2-CD1 3.42Å; L117-L137 HydrophobicContact CD2-CG 3.91Å; L123-L137 HydrophobicContact CD1-CD2 3.46Å; L123-L137 VanDerWaalsContact CD1-CD2 3.46Å; L123-L137 HydrophobicContact CD1-CG 3.74Å; F126-L137 HydrophobicContact CD1-CD1 3.75Å; F126-L137 HydrophobicContact CD1-CD2 4.05Å; F126-L137 HydrophobicContact CE1-CD1 3.54Å; F126-L137 HydrophobicContact CE1-CD2 4.23Å; F126-L137 HydrophobicContact CG-CD1 4.46Å; F126-L137 HydrophobicContact CZ-CD1 4.08Å; K127-L137 HydrophobicContact CG-CD2 4.12Å; Y133-L137 HydrophobicContact CD1-CB 4.42Å; Y133-L137 HydrophobicContact CD1-CD1 4.04Å; Y133-L137 HydrophobicContact CE1-CB 4.48Å; Y133-L137 HydrophobicContact CE1-CD1 4.19Å; G135-L137 PolarHBondContact O-N 3.01Å
138Q96.2Very high94.9Very high40 Ų4055.1 Ų55.119%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-127.8145.3-178.6-62.7-157.425.200112.4V115 V116 L117 I140 I358V115-Q138 PolarHBondContact O-N 2.93Å; V116-Q138 CarbonylContact C-O 3.54Å; V116-Q138 VanDerWaalsContact CA-O 3.32Å; V116-Q138 WeakPolarHBondContact CA-O 3.47Å; L117-Q138 WeakPolarHBondContact CD2-O 3.5Å; L117-Q138 PolarHBondContact N-O 2.99Å; Q138-I140 HydrophobicContact CB-CG1 4.31Å; Q138-I358 HydrophobicContact CB-CD1 4.22Å; Q138-I358 VanDerWaalsContact CD-CG1 3.46Å; Q138-I358 HydrophobicContact CG-CD1 4.17Å; Q138-I358 HydrophobicContact CG-CG1 4.23Å
139V97.4Very high94.9Very high29 Ų2957.6 Ų57.618%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-96.9118.5167.7178.30000108.1L117 L123L117-V139 HydrophobicContact CB-CG2 4.49Å; L117-V139 CarbonylContact O-C 3.52Å; L117-V139 VanDerWaalsContact O-CA 3.28Å; L117-V139 WeakPolarHBondContact O-CA 3.34Å; L123-V139 HydrophobicContact CB-CG2 3.87Å; L123-V139 HydrophobicContact CD1-CG2 4.44Å; L123-V139 HydrophobicContact CD2-CG2 3.8Å; L123-V139 HydrophobicContact CG-CG2 4.24Å
140I96.3Very high94.8Very high0 Ų058.2 Ų58.20%031%0.308CS..  trans-129.4105.1177-54.2-174.2000107.3V116 L117 Q138 Q351 L354 Y355 I358V116-I140 HydrophobicContact CG1-CB 3.66Å; V116-I140 HydrophobicContact CG1-CD1 4.11Å; V116-I140 HydrophobicContact CG1-CG1 3.9Å; V116-I140 HydrophobicContact CG2-CD1 3.75Å; V116-I140 HydrophobicContact CG2-CG1 4.2Å; L117-I140 PolarHBondContact O-N 3.13Å; Q138-I140 HydrophobicContact CB-CG1 4.31Å; I140-Q351 HydrophobicContact CG2-CB 4.5Å; I140-Q351 HydrophobicContact CG2-CG 3.28Å; I140-L354 HydrophobicContact CB-CD1 4.41Å; I140-L354 HydrophobicContact CD1-CB 3.7Å; I140-L354 HydrophobicContact CG1-CB 3.97Å; I140-L354 HydrophobicContact CG1-CD1 4.01Å; I140-L354 HydrophobicContact CG2-CD1 4.21Å; I140-Y355 HydrophobicContact CD1-CD1 3.91Å; I140-Y355 HydrophobicContact CD1-CE1 3.84Å; I140-Y355 HydrophobicContact CD1-CG 4.28Å; I140-Y355 HydrophobicContact CG2-CE2 4.16Å; I140-I358 HydrophobicContact CD1-CD1 3.72Å
141H95.2Very high94.8Very high33 Ų3357.3 Ų57.315%0.15331%0.305CS..PPolyproline II helixtrans-61.5149.3174-67.4-100.3000110L118 Q275 D299 F346 Q351L118-H141 WeakPolarHBondContact O-CA 3.37Å; L118-H141 PolarHBondContact O-ND1 3.41Å; H141-Q275 PolarHBondContact ND1-NE2 3.05Å; H141-D299 IonicContact CE1-OD2 2.68Å; H141-F346 HydrophobicContact CB-CD1 4.04Å; H141-F346 HydrophobicContact CB-CE1 4.06Å; H141-F346 AromaticContact ND1-CE1 3.64Å; H141-Q351 PolarHBondContact O-NE2 3.34Å
142Q93.8Very high94.8Very high9 Ų956.8 Ų56.84%0.04230%0.297CS..PPolyproline II helixtrans-62.4142.6166.7-66.6-176.8101.300108.8T18 L118 Q275 L277 M280T18-Q142 PolarHBondContact OG1-OE1 2.78Å; L118-Q142 HydrophobicContact CD1-CG 4.42Å; L118-Q142 HydrophobicContact CD2-CG 4.08Å; Q142-Q275 VanDerWaalsContact CB-OE1 3.27Å; Q142-Q275 PolarHBondContact NE2-O 3.43Å; Q142-L277 HydrophobicContact CB-CD2 3.92Å; Q142-L277 HydrophobicContact CG-CD2 4.39Å; Q142-M280 HydrophobicContact CB-CE 4.21Å; Q142-M280 HydrophobicContact CB-SD 4.34Å; Q142-M280 WeakPolarHBondContact O-CE 3.29Å
143A92.2Very high94.9Very high6 Ų656.3 Ų56.35%0.0529%0.289CS..PPolyproline II helixtrans-98.1158.5171.500000110.7Y21 F346 Q351Y21-A143 HydrophobicContact CE1-CB 3.58Å; Y21-A143 VanDerWaalsContact OH-CB 3.31Å; Y21-A143 WeakPolarHBondContact OH-CB 3.43Å; A143-F346 CarbonylContact C-O 3.59Å; A143-F346 WeakPolarHBondContact CA-O 3.18Å; A143-F346 WeakPolarHBondContact CB-O 3.2Å; A143-Q351 HydrophobicContact CB-CB 4.41Å
144I91Very high94.9Very high22 Ų2257.8 Ų57.811%0.11330%0.297CS..PPolyproline II helixtrans-101.9140-170.5-62.4166.5000109.1V146 M280 I341 F346I144-V146 HydrophobicContact CG2-CB 4.26Å; I144-V146 HydrophobicContact CG2-CG2 3.69Å; I144-M280 HydrophobicContact CD1-CB 3.74Å; I144-M280 HydrophobicContact CD1-CE 3.77Å; I144-M280 HydrophobicContact CG1-CB 3.86Å; I144-M280 HydrophobicContact CG1-CE 3.5Å; I144-I341 HydrophobicContact CD1-CB 4.26Å; I144-I341 HydrophobicContact CD1-CD1 3.49Å; I144-I341 VanDerWaalsContact CD1-CD1 3.49Å; I144-I341 HydrophobicContact CD1-CG1 2.96Å; I144-I341 HydrophobicContact CG1-CG1 4.42Å; I144-F346 HydrophobicContact CD1-CB 3.93Å; I144-F346 HydrophobicContact CD1-CG 4.45Å; I144-F346 HydrophobicContact CG1-CB 4.34Å; I144-F346 PolarHBondContact N-O 3.09Å
145R89.9Confident95.1Very high133 Ų13355.3 Ų55.350%0.50227%0.274SS..  trans-128.192.6175.8-177.8177.5171.6174.2-7.6107.4Y21 E24 H257Y21-R145 HydrophobicContact CE2-CB 4.15Å; E24-R145 IonicContact OE1-NH1 3.86Å; E24-R145 IonicContact OE2-CZ 2.79Å; E24-R145 IonicContact OE2-NH1 3.73Å; E24-R145 PolarHBondContact OE2-NH1 3.01Å; R145-H257 PolarHBondContact O-CE1 2.99Å
146V94.3Very high95.3Very high33 Ų3361.7 Ų61.720%0.229%0.294CS..  trans-128.4128.7175.6171.20000107.6I144 I148 E281 L285I144-V146 HydrophobicContact CG2-CB 4.26Å; I144-V146 HydrophobicContact CG2-CG2 3.69Å; V146-I148 HydrophobicContact CG1-CG1 3.74Å; V146-E281 HydrophobicContact CG2-CB 4Å; V146-E281 HydrophobicContact CG2-CG 3.93Å; V146-L285 HydrophobicContact CG1-CD2 3.48Å; V146-L285 VanDerWaalsContact CG1-CD2 3.48Å; V146-L285 HydrophobicContact CG1-CG 3.73Å
147D95.2Very high95.5Very high91 Ų9164.1 Ų64.149%0.48731%0.308SS..  trans-105.798.4167.3-173.3-27.9000107.4E149 D150 A151D147-E149 VanDerWaalsContact C-N 3.29Å; D147-E149 PolarHBondContact O-N 2.61Å; D147-E149 PolarHBondContact OD1-N 2.97Å; D147-D150 HydrophobicContact CB-CB 3.85Å; D147-D150 VanDerWaalsContact CG-CB 3.41Å; D147-D150 PolarHBondContact O-N 3.37Å; D147-D150 WeakPolarHBondContact OD1-CB 3.33Å; D147-D150 PolarHBondContact OD1-N 2.86Å; D147-A151 VanDerWaalsContact O-CB 3.3Å; D147-A151 WeakPolarHBondContact O-CB 3.36Å; D147-A151 PolarHBondContact O-N 3.37Å
148I95.3Very high95.6Very high74 Ų7462.6 Ų62.638%0.37930%0.3SS..Hα-helixtrans-66.5-34.8-175.1-60.2175.2000110.6V146 N152 S284 L285V146-I148 HydrophobicContact CG1-CG1 3.74Å; I148-N152 WeakPolarHBondContact CG2-ND2 3.05Å; I148-N152 WeakPolarHBondContact O-CB 3.35Å; I148-N152 PolarHBondContact O-N 2.79Å; I148-N152 PolarHBondContact O-ND2 3.17Å; I148-S284 VanDerWaalsContact CD1-O 3.29Å; I148-S284 WeakPolarHBondContact CD1-O 3.38Å; I148-L285 HydrophobicContact CG1-CD2 4.48Å
149E96.5Very high95.6Very high165 Ų16561.7 Ų61.777%0.77130%0.296SS*.Hα-helixtrans-68.6-46.5179.9-65.6-175.318000110.3D147 N152 H153D147-E149 VanDerWaalsContact C-N 3.29Å; D147-E149 PolarHBondContact O-N 2.61Å; D147-E149 PolarHBondContact OD1-N 2.97Å; E149-N152 PolarHBondContact O-N 3.38Å; E149-H153 WeakPolarHBondContact O-CB 3.36Å; E149-H153 PolarHBondContact O-N 3.17Å
150D96.2Very high95.7Very high47 Ų4763.8 Ų63.825%0.25131%0.309SS..Hα-helixtrans-63.1-46.2175.3-168.166.8000111.2D147 N152 H153 F154 K254D147-D150 HydrophobicContact CB-CB 3.85Å; D147-D150 VanDerWaalsContact CG-CB 3.41Å; D147-D150 PolarHBondContact O-N 3.37Å; D147-D150 WeakPolarHBondContact OD1-CB 3.33Å; D147-D150 PolarHBondContact OD1-N 2.86Å; D150-N152 VanDerWaalsContact C-N 3.3Å; D150-N152 PolarHBondContact O-N 3.14Å; D150-H153 PolarHBondContact O-N 2.74Å; D150-H153 VanDerWaalsContact O-N 3.16Å; D150-F154 WeakPolarHBondContact O-CD2 3.48Å; D150-F154 PolarHBondContact O-N 2.73Å; D150-F154 VanDerWaalsContact O-N 3.15Å; D150-F154 WeakPolarHBondContact OD1-CE2 3.27Å; D150-K254 IonicContact OD1-NZ 2.7Å; D150-K254 PolarHBondContact OD1-NZ 3.37Å; D150-K254 WeakPolarHBondContact OD2-CD 3.39Å; D150-K254 WeakPolarHBondContact OD2-CE 3.49Å; D150-K254 VanDerWaalsContact OD2-CG 3.24Å; D150-K254 WeakPolarHBondContact OD2-CG 3.39Å; D150-K254 IonicContact OD2-NZ 2.96Å; D150-K254 PolarHBondContact OD2-NZ 3.12Å
151A97.1Very high95.7Very high1 Ų166.5 Ų66.51%0.00833%0.332CS..Hα-helixtrans-58.9-40.3177.400000112.4D147 K155 H257 S258 L261 L285D147-A151 VanDerWaalsContact O-CB 3.3Å; D147-A151 WeakPolarHBondContact O-CB 3.36Å; D147-A151 PolarHBondContact O-N 3.37Å; A151-K155 WeakPolarHBondContact O-CB 3.49Å; A151-K155 PolarHBondContact O-N 3.3Å; A151-K155 VanDerWaalsContact O-N 3.17Å; A151-H257 HydrophobicContact CB-CB 3.84Å; A151-S258 PolarHBondContact O-OG 3.06Å; A151-L261 HydrophobicContact CB-CD2 4.19Å; A151-L285 HydrophobicContact CB-CD2 3.84Å
152N96.8Very high95.8Very high82 Ų8265.6 Ų65.644%0.43933%0.329SS..Hα-helixtrans-67.7-43.5174.5-88.1-67.4000112.4I148 E149 D150 F154 K155 L261I148-N152 WeakPolarHBondContact CG2-ND2 3.05Å; I148-N152 WeakPolarHBondContact O-CB 3.35Å; I148-N152 PolarHBondContact O-N 2.79Å; I148-N152 PolarHBondContact O-ND2 3.17Å; E149-N152 PolarHBondContact O-N 3.38Å; D150-N152 VanDerWaalsContact C-N 3.3Å; D150-N152 PolarHBondContact O-N 3.14Å; N152-F154 VanDerWaalsContact C-N 3.31Å; N152-F154 PolarHBondContact O-N 3.15Å; N152-K155 VanDerWaalsContact O-CB 3.26Å; N152-K155 WeakPolarHBondContact O-CB 3.08Å; N152-K155 PolarHBondContact O-N 3.05Å; N152-L261 HydrophobicContact CB-CD2 4.28Å; N152-L261 WeakPolarHBondContact OD1-CD2 3.1Å
153H97.4Very high96Very high138 Ų13866.8 Ų66.864%0.63933%0.334SS*.Hα-helixtrans-57.7-44.8-178-174.594.7000111.6E149 D150E149-H153 WeakPolarHBondContact O-CB 3.36Å; E149-H153 PolarHBondContact O-N 3.17Å; D150-H153 PolarHBondContact O-N 2.74Å; D150-H153 VanDerWaalsContact O-N 3.16Å
154F96.9Very high96.2Very high61 Ų6171.1 Ų71.127%0.26836%0.364SS..Hα-helixtrans-93.4-1.6-176.7-66.1-83.1000113.9D150 N152 K156 D157 I158 K254D150-F154 WeakPolarHBondContact O-CD2 3.48Å; D150-F154 PolarHBondContact O-N 2.73Å; D150-F154 VanDerWaalsContact O-N 3.15Å; D150-F154 WeakPolarHBondContact OD1-CE2 3.27Å; N152-F154 VanDerWaalsContact C-N 3.31Å; N152-F154 PolarHBondContact O-N 3.15Å; F154-K156 PolarHBondContact O-N 3.34Å; F154-D157 PolarHBondContact O-N 3.35Å; F154-I158 HydrophobicContact CB-CG1 4.08Å; F154-I158 WeakPolarHBondContact O-CG1 3.11Å; F154-I158 PolarHBondContact O-N 3.25Å; F154-K254 VanDerWaalsContact CE2-CE 3.42Å; F154-K254 VanDerWaalsContact CG-CE 3.44Å
155K97Very high96.4Very high68 Ų6877.4 Ų77.430%0.29639%0.391SS..Hα-helixtrans-47.2-52.7-174.5-172.7-179.2-178.41680113.7A151 N152 L159 L261 S262A151-K155 WeakPolarHBondContact O-CB 3.49Å; A151-K155 PolarHBondContact O-N 3.3Å; A151-K155 VanDerWaalsContact O-N 3.17Å; N152-K155 VanDerWaalsContact O-CB 3.26Å; N152-K155 WeakPolarHBondContact O-CB 3.08Å; N152-K155 PolarHBondContact O-N 3.05Å; K155-L159 WeakPolarHBondContact O-CB 3.5Å; K155-L159 PolarHBondContact O-N 3.45Å; K155-L159 VanDerWaalsContact O-N 3.17Å; K155-L261 HydrophobicContact CD-CD2 4.13Å; K155-L261 HydrophobicContact CD-CG 4.09Å; K155-L261 WeakPolarHBondContact CE-O 3.21Å; K155-L261 PolarHBondContact NZ-O 2.91Å; K155-S262 VanDerWaalsContact CE-CA 3.48Å; K155-S262 VanDerWaalsContact CE-OG 3.25Å; K155-S262 WeakPolarHBondContact CE-OG 3.37Å; K155-S262 WeakPolarHBondContact CG-OG 3.39Å
156K97.3Very high96.7Very high161 Ų16173.3 Ų73.370%0.738%0.378SS*.Hα-helixtrans-70.4-41.4-176.1-174.3-179.4177.1-175.30112.2F154 T160F154-K156 PolarHBondContact O-N 3.34Å; K156-T160 WeakPolarHBondContact O-CB 3.48Å; K156-T160 PolarHBondContact O-N 2.76Å; K156-T160 PolarHBondContact O-OG1 3.03Å
157D97.7Very high96.7Very high98 Ų9874.9 Ų74.952%0.52440%0.402SS..Hα-helixtrans-69.3-43.9-176.3-66.4-17000110.9F154 T160 A161F154-D157 PolarHBondContact O-N 3.35Å; D157-T160 PolarHBondContact O-N 3.02Å; D157-A161 WeakPolarHBondContact O-CB 3.24Å; D157-A161 PolarHBondContact O-N 3.33Å
158I97.5Very high96.7Very high23 Ų2372.2 Ų72.212%0.11839%0.389CS..Hα-helixtrans-64.3-45.6176.2-61.9-44.4000111.2F154 T160 A161 V162 E255 L259F154-I158 HydrophobicContact CB-CG1 4.08Å; F154-I158 WeakPolarHBondContact O-CG1 3.11Å; F154-I158 PolarHBondContact O-N 3.25Å; I158-T160 VanDerWaalsContact C-N 3.32Å; I158-T160 PolarHBondContact O-N 3.08Å; I158-A161 PolarHBondContact O-N 3.01Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 3.2Å; I158-E255 HydrophobicContact CD1-CG 3.73Å; I158-E255 HydrophobicContact CG1-CG 4.16Å; I158-E255 HydrophobicContact CG2-CB 4.02Å; I158-E255 HydrophobicContact CG2-CG 4.26Å; I158-L259 HydrophobicContact CG2-CD2 4.18Å; I158-L259 HydrophobicContact CG2-CG 3.97Å
159L97.8Very high96.7Very high21 Ų2179 Ų7911%0.1141%0.409CS..Hα-helixtrans-58.4-46.1176.5-179.862.5000111.1K155 A161 V162 E163 L170 Q171 F173 L259K155-L159 WeakPolarHBondContact O-CB 3.5Å; K155-L159 PolarHBondContact O-N 3.45Å; K155-L159 VanDerWaalsContact O-N 3.17Å; L159-A161 PolarHBondContact O-N 3.39Å; L159-V162 PolarHBondContact O-N 2.89Å; L159-E163 HydrophobicContact CD1-CG 4.25Å; L159-E163 HydrophobicContact CG-CG 4.42Å; L159-E163 WeakPolarHBondContact O-CB 3.44Å; L159-E163 WeakPolarHBondContact O-CG 3.43Å; L159-E163 PolarHBondContact O-N 3.12Å; L159-L170 HydrophobicContact CD1-CB 4.46Å; L159-L170 HydrophobicContact CD1-CD1 4.08Å; L159-Q171 HydrophobicContact CD2-CG 4.06Å; L159-F173 HydrophobicContact CD1-CE1 3.83Å; L159-F173 HydrophobicContact CD1-CZ 4.29Å; L159-L259 HydrophobicContact CD1-CD2 4.35Å
160T97.7Very high96.7Very high73 Ų7371.1 Ų71.145%0.44837%0.373SS..Hα-helixtrans-63.1-40.8179.1-55.70000111.8K156 D157 I158 S164K156-T160 WeakPolarHBondContact O-CB 3.48Å; K156-T160 PolarHBondContact O-N 2.76Å; K156-T160 PolarHBondContact O-OG1 3.03Å; D157-T160 PolarHBondContact O-N 3.02Å; I158-T160 VanDerWaalsContact C-N 3.32Å; I158-T160 PolarHBondContact O-N 3.08Å; T160-S164 VanDerWaalsContact O-CB 3.23Å; T160-S164 WeakPolarHBondContact O-CB 3.37Å; T160-S164 PolarHBondContact O-N 2.9Å
161A97.5Very high96.7Very high57 Ų5773.1 Ų73.147%0.47138%0.381SS..Hα-helixtrans-64.2-41.5177.700000111.9D157 I158 L159 S164 K165D157-A161 WeakPolarHBondContact O-CB 3.24Å; D157-A161 PolarHBondContact O-N 3.33Å; I158-A161 PolarHBondContact O-N 3.01Å; L159-A161 PolarHBondContact O-N 3.39Å; A161-S164 PolarHBondContact O-N 3.14Å; A161-K165 WeakPolarHBondContact O-CB 3.16Å; A161-K165 PolarHBondContact O-N 3.28Å
162V97Very high96.7Very high14 Ų1474.3 Ų74.39%0.08539%0.388CS..Hα-helixtrans-68.1-46.8176.7172.40000111.2I158 L159 S164 K165 L166 L170 L221 L251 L259I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 3.2Å; L159-V162 PolarHBondContact O-N 2.89Å; V162-S164 VanDerWaalsContact C-N 3.29Å; V162-S164 PolarHBondContact O-N 3.31Å; V162-K165 PolarHBondContact O-N 3.35Å; V162-L166 HydrophobicContact CG1-CD1 3.71Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 WeakPolarHBondContact O-CB 3.44Å; V162-L166 VanDerWaalsContact O-CG 3.29Å; V162-L166 WeakPolarHBondContact O-CG 3.31Å; V162-L166 PolarHBondContact O-N 2.74Å; V162-L170 HydrophobicContact CG1-CD1 4.01Å; V162-L221 HydrophobicContact CG1-CD2 4.43Å; V162-L251 HydrophobicContact CG2-CD1 4.36Å; V162-L259 HydrophobicContact CB-CD2 4.34Å; V162-L259 HydrophobicContact CG2-CD1 4.16Å; V162-L259 HydrophobicContact CG2-CD2 4.1Å
163E97.3Very high96.8Very high34 Ų3470.4 Ų70.416%0.15937%0.367CS..Hα-helixtrans-56.7-42.9174.4-77.4-175153.500111.9L159 L166 G167 V168 R169 L170L159-E163 HydrophobicContact CD1-CG 4.25Å; L159-E163 HydrophobicContact CG-CG 4.42Å; L159-E163 WeakPolarHBondContact O-CB 3.44Å; L159-E163 WeakPolarHBondContact O-CG 3.43Å; L159-E163 PolarHBondContact O-N 3.12Å; E163-L166 PolarHBondContact O-N 2.6Å; E163-G167 PolarHBondContact O-N 3.35Å; E163-V168 WeakPolarHBondContact CA-O 3.46Å; E163-V168 WeakPolarHBondContact CB-O 3.38Å; E163-V168 WeakPolarHBondContact CG-O 3.5Å; E163-V168 PolarHBondContact O-N 2.98Å; E163-R169 WeakPolarHBondContact OE1-CA 3.23Å; E163-L170 HydrophobicContact CG-CB 4.21Å; E163-L170 HydrophobicContact CG-CD1 4.03Å; E163-L170 HydrophobicContact CG-CG 3.96Å; E163-L170 PolarHBondContact OE1-N 3.2Å
164S96.9Very high96.8Very high97 Ų9763.9 Ų63.968%0.67834%0.337SS*.Hα-helixtrans-62.6-44.7175.8-1770000112.2T160 A161 V162 L166 G167T160-S164 VanDerWaalsContact O-CB 3.23Å; T160-S164 WeakPolarHBondContact O-CB 3.37Å; T160-S164 PolarHBondContact O-N 2.9Å; A161-S164 PolarHBondContact O-N 3.14Å; V162-S164 VanDerWaalsContact C-N 3.29Å; V162-S164 PolarHBondContact O-N 3.31Å; S164-L166 VanDerWaalsContact C-N 3.32Å; S164-L166 PolarHBondContact O-N 3.35Å; S164-G167 PolarHBondContact O-N 3.39Å
165K95.7Very high96.9Very high154 Ų15461 Ų6167%0.6732%0.324SS*.Hα-helixtrans-64.8-36.3177.6-174.7176.8177.1-177.50112.3A161 V162A161-K165 WeakPolarHBondContact O-CB 3.16Å; A161-K165 PolarHBondContact O-N 3.28Å; V162-K165 PolarHBondContact O-N 3.35Å
166L95.3Very high96.9Very high47 Ų4758.3 Ų58.325%0.24631%0.314CS..Hα-helixtrans-83.7-18.9179.4-64.2172.8000113.1V162 E163 S164 V168 L170 L221 H246 R247V162-L166 HydrophobicContact CG1-CD1 3.71Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 WeakPolarHBondContact O-CB 3.44Å; V162-L166 VanDerWaalsContact O-CG 3.29Å; V162-L166 WeakPolarHBondContact O-CG 3.31Å; V162-L166 PolarHBondContact O-N 2.74Å; E163-L166 PolarHBondContact O-N 2.6Å; S164-L166 VanDerWaalsContact C-N 3.32Å; S164-L166 PolarHBondContact O-N 3.35Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 HydrophobicContact CB-CG2 3.74Å; L166-V168 HydrophobicContact CD1-CG2 4.46Å; L166-L170 HydrophobicContact CD1-CD1 4.19Å; L166-L170 HydrophobicContact CD1-CD2 4.17Å; L166-L170 HydrophobicContact CD1-CG 4.49Å; L166-L221 HydrophobicContact CD1-CD1 4.01Å; L166-H246 HydrophobicContact CD1-CB 3.94Å; L166-H246 HydrophobicContact CD2-CB 4.48Å; L166-R247 WeakPolarHBondContact CD2-O 3.49Å
167G95.5Very high96.9Very high67 Ų6752 Ų5269%0.69129%0.289SS*.THydrogen-bonded Turntrans72.523.9-176.900000114.2E163 S164E163-G167 PolarHBondContact O-N 3.35Å; S164-G167 PolarHBondContact O-N 3.39Å
168V94.6Very high96.6Very high35 Ų3548.1 Ų48.121%0.21227%0.272CS..SBendtrans-139.3161-174.9-60.60000111.4E163 L166 L170E163-V168 WeakPolarHBondContact CA-O 3.46Å; E163-V168 WeakPolarHBondContact CB-O 3.38Å; E163-V168 WeakPolarHBondContact CG-O 3.5Å; E163-V168 PolarHBondContact O-N 2.98Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 HydrophobicContact CB-CG2 3.74Å; L166-V168 HydrophobicContact CD1-CG2 4.46Å; V168-L170 HydrophobicContact CG2-CD2 4.16Å; V168-L170 HydrophobicContact CG2-CG 4.43Å
169R95.6Very high96.3Very high216 Ų21647.7 Ų47.782%0.81527%0.27SS*.  trans-95.5127.9162.9-66.7-154.9-63.2-150.20.2109.5E163E163-R169 WeakPolarHBondContact OE1-CA 3.23Å
170L96.6Very high96Very high0 Ų046.9 Ų46.90%027%0.266CS..  trans-88.1-35.2-172.8-73.5171.7000112.9L159 V162 E163 L166 V168 P172 F173 N219 L221 H246L159-L170 HydrophobicContact CD1-CB 4.46Å; L159-L170 HydrophobicContact CD1-CD1 4.08Å; V162-L170 HydrophobicContact CG1-CD1 4.01Å; E163-L170 HydrophobicContact CG-CB 4.21Å; E163-L170 HydrophobicContact CG-CD1 4.03Å; E163-L170 HydrophobicContact CG-CG 3.96Å; E163-L170 PolarHBondContact OE1-N 3.2Å; L166-L170 HydrophobicContact CD1-CD1 4.19Å; L166-L170 HydrophobicContact CD1-CD2 4.17Å; L166-L170 HydrophobicContact CD1-CG 4.49Å; V168-L170 HydrophobicContact CG2-CD2 4.16Å; V168-L170 HydrophobicContact CG2-CG 4.43Å; L170-P172 CarbonylContact O-C 3.15Å; L170-F173 HydrophobicContact CB-CB 4.41Å; L170-F173 HydrophobicContact CB-CD1 3.83Å; L170-F173 HydrophobicContact CB-CE1 4.38Å; L170-F173 HydrophobicContact CB-CG 4.25Å; L170-N219 HydrophobicContact CD2-CB 4.38Å; L170-N219 PolarHBondContact O-ND2 2.93Å; L170-L221 HydrophobicContact CD1-CD2 4.05Å; L170-H246 HydrophobicContact CD2-CB 4.29Å; L170-H246 VanDerWaalsContact CD2-CD2 3.48Å; L170-H246 WeakPolarHBondContact CD2-CD2 3.39Å
171Q96.1Very high95.7Very high89 Ų8945.9 Ų45.942%0.41625%0.254SS..  trans-64.5134.6-170.8-74-71-30.800113.7L159 S262L159-Q171 HydrophobicContact CD2-CG 4.06Å; Q171-S262 PolarHBondContact NE2-O 3.13Å
172P96.8Very high95.4Very high26 Ų2646.8 Ų46.817%0.16925%0.25CS..SBendcis-77.1148.1-11.232.2-34.6000112.3L170 S217 Y218 N219 Q264L170-P172 CarbonylContact O-C 3.15Å; P172-S217 WeakPolarHBondContact CD-O 3.34Å; P172-Y218 HydrophobicContact CB-CD1 4.01Å; P172-Y218 HydrophobicContact CB-CE1 3.92Å; P172-Y218 HydrophobicContact CG-CD1 3.93Å; P172-Y218 HydrophobicContact CG-CD2 4.03Å; P172-Y218 HydrophobicContact CG-CE1 3.99Å; P172-Y218 HydrophobicContact CG-CE2 4.04Å; P172-Y218 HydrophobicContact CG-CG 3.95Å; P172-Y218 WeakPolarHBondContact O-CA 3.42Å; P172-N219 PolarHBondContact O-N 3.1Å; P172-Q264 HydrophobicContact CB-CG 3.95Å
173F98Very high95.1Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-140.6151.417871.5-84.2000113.9L159 L170 V175 N219 L221 L259 S263 Q264L159-F173 HydrophobicContact CD1-CE1 3.83Å; L159-F173 HydrophobicContact CD1-CZ 4.29Å; L170-F173 HydrophobicContact CB-CB 4.41Å; L170-F173 HydrophobicContact CB-CD1 3.83Å; L170-F173 HydrophobicContact CB-CE1 4.38Å; L170-F173 HydrophobicContact CB-CG 4.25Å; F173-V175 HydrophobicContact CD2-CB 4.35Å; F173-V175 HydrophobicContact CE2-CB 4.08Å; F173-V175 HydrophobicContact CE2-CG2 4.46Å; F173-N219 WeakPolarHBondContact CA-O 3.36Å; F173-N219 HydrophobicContact CB-CB 3.99Å; F173-L221 HydrophobicContact CD2-CB 3.98Å; F173-L221 HydrophobicContact CD2-CD2 4.4Å; F173-L221 HydrophobicContact CE2-CB 4.41Å; F173-L221 HydrophobicContact CE2-CD2 4.06Å; F173-L259 WeakPolarHBondContact CZ-O 3.49Å; F173-S263 CarbonylContact O-C 3.57Å; F173-S263 WeakPolarHBondContact O-CA 3.21Å; F173-Q264 PolarHBondContact O-N 2.91Å
174F98.3Very high94.8Very high0 Ų046.7 Ų46.70%025%0.249CC..EExtended strand (participates in β ladder)trans-96.2152.4162.9-58.8-65000110F193 W196 Y218 N219 L220 L221 Q264 A265 I267 L320 E324F174-F193 HydrophobicContact CD2-CD2 4.27Å; F174-F193 AromaticContact CD2-CE2 3.99Å; F174-F193 HydrophobicContact CD2-CE2 3.99Å; F174-F193 HydrophobicContact CE2-CE2 4.41Å; F174-W196 AromaticContact CE2-CH2 3.85Å; F174-W196 HydrophobicContact CE2-CH2 3.85Å; F174-W196 AromaticContact CE2-CZ3 3.89Å; F174-W196 HydrophobicContact CE2-CZ3 3.89Å; F174-W196 HydrophobicContact CZ-CH2 4.31Å; F174-Y218 HydrophobicContact CD2-CD1 4.2Å; F174-Y218 AromaticContact CE2-CD1 3.49Å; F174-Y218 HydrophobicContact CE2-CD1 3.49Å; F174-Y218 VanDerWaalsContact CE2-CD1 3.49Å; F174-Y218 HydrophobicContact CE2-CE1 4.06Å; F174-Y218 HydrophobicContact CE2-CG 4.22Å; F174-Y218 AromaticContact CZ-CD1 3.69Å; F174-Y218 HydrophobicContact CZ-CD1 3.69Å; F174-Y218 AromaticContact CZ-CE1 3.77Å; F174-Y218 HydrophobicContact CZ-CE1 3.77Å; F174-N219 PolarHBondContact N-O 2.88Å; F174-L220 HydrophobicContact CB-CD1 4.04Å; F174-L221 PolarHBondContact O-N 2.87Å; F174-Q264 HydrophobicContact CD1-CB 3.84Å; F174-Q264 HydrophobicContact CE1-CB 3.59Å; F174-Q264 HydrophobicContact CZ-CB 4.44Å; F174-A265 HydrophobicContact CD1-CB 3.76Å; F174-A265 HydrophobicContact CE1-CB 4.03Å; F174-I267 HydrophobicContact CB-CD1 3.74Å; F174-I267 HydrophobicContact CB-CG1 4.34Å; F174-I267 HydrophobicContact CG-CD1 4.18Å; F174-L320 HydrophobicContact CD1-CD2 3.96Å; F174-L320 HydrophobicContact CD2-CD1 4.1Å; F174-L320 HydrophobicContact CD2-CD2 4.25Å; F174-L320 HydrophobicContact CE1-CD2 3.76Å; F174-L320 HydrophobicContact CE2-CB 4.29Å; F174-L320 HydrophobicContact CE2-CD1 3.85Å; F174-L320 HydrophobicContact CE2-CD2 4.05Å; F174-L320 HydrophobicContact CE2-CG 4.27Å; F174-L320 HydrophobicContact CG-CD2 4.2Å; F174-L320 HydrophobicContact CZ-CB 4.02Å; F174-L320 HydrophobicContact CZ-CD1 4.34Å; F174-L320 HydrophobicContact CZ-CD2 3.81Å; F174-L320 HydrophobicContact CZ-CG 4.25Å; F174-E324 HydrophobicContact CZ-CG 4.42Å
175V98.3Very high94.7Very high0 Ų043.8 Ų43.80%023%0.226CC..EExtended strand (participates in β ladder)trans-122.8138.3-177.873.30000112.2F173 V177 L221 V223 I260 S263 A265 L266 I267F173-V175 HydrophobicContact CD2-CB 4.35Å; F173-V175 HydrophobicContact CE2-CB 4.08Å; F173-V175 HydrophobicContact CE2-CG2 4.46Å; V175-V177 HydrophobicContact CG1-CG2 4.29Å; V175-V177 HydrophobicContact CG2-CG2 3.74Å; V175-L221 CarbonylContact C-O 3.58Å; V175-L221 WeakPolarHBondContact CA-O 3.19Å; V175-V223 HydrophobicContact CG2-CG2 3.82Å; V175-I260 HydrophobicContact CG1-CG1 4.23Å; V175-S263 WeakPolarHBondContact CG1-OG 3.43Å; V175-A265 PolarHBondContact N-O 3.04Å; V175-A265 VanDerWaalsContact N-O 3.07Å; V175-L266 HydrophobicContact CG1-CB 4.13Å; V175-L266 HydrophobicContact CG1-CD1 4.35Å; V175-L266 HydrophobicContact CG1-CG 4.37Å; V175-L266 CarbonylContact O-C 3.59Å; V175-L266 WeakPolarHBondContact O-CA 3.1Å; V175-I267 PolarHBondContact O-N 2.98Å
176V98Very high94.7Very high13 Ų1336.6 Ų36.68%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-115.1124.4167.6177.60000107.2A189 L220 L221 Y222 V223 I267V176-A189 HydrophobicContact CG2-CB 4.37Å; V176-L220 HydrophobicContact CG2-CD1 4.12Å; V176-L221 PolarHBondContact N-O 3.46Å; V176-Y222 HydrophobicContact CB-CD1 3.65Å; V176-Y222 HydrophobicContact CB-CE1 3.87Å; V176-Y222 HydrophobicContact CB-CG 4.33Å; V176-Y222 HydrophobicContact CG1-CD1 3.75Å; V176-Y222 HydrophobicContact CG1-CE1 3.89Å; V176-Y222 HydrophobicContact CG2-CD1 4.19Å; V176-Y222 HydrophobicContact CG2-CE1 3.92Å; V176-Y222 CarbonylContact O-C 3.53Å; V176-Y222 WeakPolarHBondContact O-CA 3.44Å; V176-V223 PolarHBondContact O-N 2.86Å; V176-I267 HydrophobicContact CG2-CB 3.94Å; V176-I267 HydrophobicContact CG2-CG2 4.33Å
177V96.6Very high94.7Very high28 Ų2836 Ų3617%0.1719%0.192CC..EExtended strand (participates in β ladder)trans-121.2128.3-174.8-179.70000110.7V175 V223 V256 I260 L266 A278V175-V177 HydrophobicContact CG1-CG2 4.29Å; V175-V177 HydrophobicContact CG2-CG2 3.74Å; V177-V223 WeakPolarHBondContact CA-O 3.38Å; V177-V223 HydrophobicContact CG2-CB 4.35Å; V177-V256 HydrophobicContact CG1-CG1 3.67Å; V177-V256 HydrophobicContact CG2-CG1 4.33Å; V177-I260 HydrophobicContact CG2-CD1 4.2Å; V177-I260 HydrophobicContact CG2-CG1 4.08Å; V177-L266 HydrophobicContact CB-CD1 4.28Å; V177-L266 HydrophobicContact CG2-CD1 4.04Å; V177-A278 HydrophobicContact CB-CB 4.05Å; V177-A278 HydrophobicContact CG1-CB 4.16Å
178G92.5Very high94.7Very high17 Ų1734.5 Ų34.518%0.17517%0.166CC..SBendtrans144.9168.3171.200000113.4L180 V223G178-L180 PolarHBondContact O-N 3.04Å; G178-V223 PolarHBondContact N-O 2.84Å
179L90.7Very high94.7Very high14 Ų1432.8 Ų32.87%0.07316%0.156CC..  trans-58.2122.1174-173.872.5000110.3T10 R181 K184 S225 E227T10-L179 HydrophobicContact CG2-CD1 3.63Å; T10-L179 HydrophobicContact CG2-CD2 4.14Å; L179-R181 PolarHBondContact O-N 2.93Å; L179-K184 WeakPolarHBondContact O-CG 3.47Å; L179-S225 WeakPolarHBondContact CD1-O 3.35Å; L179-E227 HydrophobicContact CD2-CB 4.11Å; L179-E227 HydrophobicContact CD2-CG 4.48Å; L179-E227 HydrophobicContact CG-CB 4.26Å
180L91.4Very high94.7Very high4 Ų422.7 Ų22.72%0.02112%0.118CC..BIsolated β-bridgetrans-74.9118178.8-59.4-162.8000110.3G178 P186 Y222 S225 E227 I233 F236G178-L180 PolarHBondContact O-N 3.04Å; L180-P186 HydrophobicContact CD2-CB 4.26Å; L180-Y222 HydrophobicContact CD2-CD1 4.2Å; L180-S225 PolarHBondContact N-O 3.39Å; L180-E227 PolarHBondContact O-N 3.44Å; L180-I233 HydrophobicContact CB-CG2 3.89Å; L180-I233 HydrophobicContact CD1-CG2 4.47Å; L180-F236 HydrophobicContact CD1-CD1 4.01Å; L180-F236 HydrophobicContact CD1-CE1 3.4Å; L180-F236 HydrophobicContact CD1-CZ 4.33Å
181R90.7Very high94.6Very high52 Ų5227.7 Ų27.720%0.19614%0.141CC..  trans-159.6163.4-179.459.2178.2-174.4127.41110.1L179 V183 K184 E227L179-R181 PolarHBondContact O-N 2.93Å; R181-V183 VanDerWaalsContact C-N 3.31Å; R181-V183 HydrophobicContact CG-CG1 4.06Å; R181-V183 VanDerWaalsContact NH1-CG1 3.33Å; R181-V183 PolarHBondContact O-N 2.8Å; R181-V183 VanDerWaalsContact O-N 3.14Å; R181-K184 HydrophobicContact CG-CG 3.86Å; R181-K184 WeakPolarHBondContact O-CA 3.49Å; R181-K184 WeakPolarHBondContact O-CB 3.28Å; R181-K184 PolarHBondContact O-N 2.86Å; R181-E227 HydrophobicContact CB-CB 3.83Å; R181-E227 HydrophobicContact CB-CG 4.45Å; R181-E227 WeakPolarHBondContact CB-OE2 3.39Å; R181-E227 WeakPolarHBondContact CD-OE2 3.4Å
182D90.8Very high94.6Very high75 Ų7523.4 Ų23.440%0.40112%0.121SC..G310 helixtrans-52.3-43.5-170.8-708.7000113.9K184 D185 N232D182-K184 PolarHBondContact O-N 2.79Å; D182-D185 PolarHBondContact O-N 2.9Å; D182-N232 PolarHBondContact OD2-ND2 2.67Å
183V90.8Very high94.6Very high11 Ų1122.2 Ų22.27%0.06711%0.114CC..G310 helixtrans-67.1-18.6-179.974.70000113.8T90 M94 R181 D185 S270 I271T90-V183 HydrophobicContact CG2-CG1 4.37Å; T90-V183 HydrophobicContact CG2-CG2 4.16Å; M94-V183 HydrophobicContact CE-CG2 4.46Å; M94-V183 HydrophobicContact SD-CB 4.5Å; M94-V183 HydrophobicContact SD-CG2 3.54Å; M94-V183 VanDerWaalsContact SD-CG2 3.54Å; R181-V183 VanDerWaalsContact C-N 3.31Å; R181-V183 HydrophobicContact CG-CG1 4.06Å; R181-V183 VanDerWaalsContact NH1-CG1 3.33Å; R181-V183 PolarHBondContact O-N 2.8Å; R181-V183 VanDerWaalsContact O-N 3.14Å; V183-D185 VanDerWaalsContact C-N 3.34Å; V183-S270 CarbonylContact O-C 3.58Å; V183-S270 WeakPolarHBondContact O-CA 3.5Å; V183-I271 HydrophobicContact CG2-CB 4.33Å; V183-I271 PolarHBondContact O-N 3.46Å
184K92.5Very high94.5Very high35 Ų3524.9 Ų24.915%0.15213%0.128CC..G310 helixtrans-82.4-17173.8-62.3-56.4-169.5-173.90112.3L179 R181 D182 C269 S270 E273L179-K184 WeakPolarHBondContact O-CG 3.47Å; R181-K184 HydrophobicContact CG-CG 3.86Å; R181-K184 WeakPolarHBondContact O-CA 3.49Å; R181-K184 WeakPolarHBondContact O-CB 3.28Å; R181-K184 PolarHBondContact O-N 2.86Å; D182-K184 PolarHBondContact O-N 2.79Å; K184-C269 CarbonylContact O-C 3.55Å; K184-C269 PolarHBondContact O-SG 3.39Å; K184-S270 WeakPolarHBondContact CD-OG 3.47Å; K184-S270 PolarHBondContact NZ-OG 2.74Å; K184-E273 IonicContact NZ-OE1 3.76Å; K184-E273 PolarHBondContact NZ-OE1 2.89Å; K184-E273 IonicContact NZ-OE2 2.88Å; K184-E273 PolarHBondContact NZ-OE2 2.87Å
185D94.3Very high94.3Very high36 Ų3629.8 Ų29.819%0.19315%0.15CC..  trans44.559.8175.9-170.49.6000113.4D182 V183 M187 F188 C269 I271 R292D182-D185 PolarHBondContact O-N 2.9Å; V183-D185 VanDerWaalsContact C-N 3.34Å; D185-M187 PolarHBondContact O-N 3.22Å; D185-F188 VanDerWaalsContact CG-CB 3.5Å; D185-F188 PolarHBondContact O-N 3Å; D185-F188 WeakPolarHBondContact OD1-CB 3.24Å; D185-F188 PolarHBondContact OD1-N 3.38Å; D185-F188 VanDerWaalsContact OD2-CB 3.27Å; D185-F188 WeakPolarHBondContact OD2-CB 3.44Å; D185-C269 PolarHBondContact O-SG 3.42Å; D185-C269 VanDerWaalsContact O-SG 3.37Å; D185-I271 HydrophobicContact CB-CD1 3.87Å; D185-I271 HydrophobicContact CB-CG1 3.87Å; D185-R292 IonicContact OD2-CZ 2.75Å; D185-R292 IonicContact OD2-NH1 3.79Å; D185-R292 PolarHBondContact OD2-NH1 3.21Å; D185-R292 IonicContact OD2-NH2 3.86Å; D185-R292 PolarHBondContact OD2-NH2 3.47Å
186P94.9Very high94.1Very high4 Ų429.9 Ų29.93%0.02615%0.151CC..Hα-helixtrans-65.8-27.7-177.128.4-35.4000112.6L180 F188 A189 L190 Y222 I233 F236L180-P186 HydrophobicContact CD2-CB 4.26Å; P186-F188 VanDerWaalsContact C-N 3.33Å; P186-F188 PolarHBondContact O-N 2.8Å; P186-A189 PolarHBondContact O-N 3.15Å; P186-L190 PolarHBondContact O-N 3.31Å; P186-L190 VanDerWaalsContact O-N 3.13Å; P186-Y222 HydrophobicContact CB-CD1 4.24Å; P186-Y222 HydrophobicContact CB-CE1 3.69Å; P186-Y222 PolarHBondContact O-OH 2.95Å; P186-I233 HydrophobicContact CG-CD1 3.55Å; P186-F236 HydrophobicContact CB-CD1 4.11Å; P186-F236 HydrophobicContact CB-CD2 3.97Å; P186-F236 HydrophobicContact CB-CE1 3.95Å; P186-F236 HydrophobicContact CB-CE2 3.77Å; P186-F236 HydrophobicContact CB-CG 4.13Å; P186-F236 HydrophobicContact CB-CZ 3.76Å; P186-F236 HydrophobicContact CG-CB 4.45Å; P186-F236 HydrophobicContact CG-CD1 3.88Å; P186-F236 HydrophobicContact CG-CD2 4.16Å; P186-F236 HydrophobicContact CG-CE1 4.2Å; P186-F236 HydrophobicContact CG-CE2 4.42Å; P186-F236 HydrophobicContact CG-CG 3.87Å; P186-F236 HydrophobicContact CG-CZ 4.44Å
187M95.1Very high93.9Very high35 Ų3530.9 Ų30.917%0.17215%0.153CC..Hα-helixtrans-59.7-41.2176.5-176.6617900112D185 A189 L190 Q191 Q235 F236 E239D185-M187 PolarHBondContact O-N 3.22Å; M187-A189 PolarHBondContact O-N 3.1Å; M187-L190 WeakPolarHBondContact O-CB 3.49Å; M187-L190 PolarHBondContact O-N 3.49Å; M187-L190 HydrophobicContact SD-CD2 3.93Å; M187-Q191 HydrophobicContact CG-CG 4.32Å; M187-Q191 WeakPolarHBondContact O-CG 3.41Å; M187-Q191 PolarHBondContact O-N 3.45Å; M187-Q191 HydrophobicContact SD-CG 4.14Å; M187-Q235 HydrophobicContact CE-CG 4.48Å; M187-F236 HydrophobicContact CB-CD2 4.48Å; M187-F236 VanDerWaalsContact CE-CA 3.49Å; M187-F236 HydrophobicContact CE-CB 3.94Å; M187-E239 HydrophobicContact CE-CB 4.4Å; M187-E239 HydrophobicContact CE-CG 3.91Å
188F95.5Very high93.7Very high34 Ų3433.2 Ų33.215%0.14916%0.164CC..Hα-helixtrans-59.5-45.9176.6178.4-78000112.5D185 P186 L190 Q191 A192 C269 F310 L316D185-F188 VanDerWaalsContact CG-CB 3.5Å; D185-F188 PolarHBondContact O-N 3Å; D185-F188 WeakPolarHBondContact OD1-CB 3.24Å; D185-F188 PolarHBondContact OD1-N 3.38Å; D185-F188 VanDerWaalsContact OD2-CB 3.27Å; D185-F188 WeakPolarHBondContact OD2-CB 3.44Å; P186-F188 VanDerWaalsContact C-N 3.33Å; P186-F188 PolarHBondContact O-N 2.8Å; F188-L190 VanDerWaalsContact C-N 3.26Å; F188-L190 PolarHBondContact O-N 3.49Å; F188-Q191 PolarHBondContact O-N 3.02Å; F188-A192 HydrophobicContact CE1-CB 4.35Å; F188-A192 WeakPolarHBondContact O-CB 3.35Å; F188-A192 PolarHBondContact O-N 3.48Å; F188-C269 HydrophobicContact CD1-CB 4.44Å; F188-F310 HydrophobicContact CD1-CE2 4.21Å; F188-F310 AromaticContact CE1-CD2 3.97Å; F188-F310 HydrophobicContact CE1-CD2 3.97Å; F188-F310 AromaticContact CE1-CE2 3.36Å; F188-F310 HydrophobicContact CE1-CE2 3.36Å; F188-F310 HydrophobicContact CE1-CZ 4.25Å; F188-F310 HydrophobicContact CZ-CD2 4.19Å; F188-F310 AromaticContact CZ-CE2 3.93Å; F188-F310 HydrophobicContact CZ-CE2 3.93Å; F188-L316 HydrophobicContact CE1-CD2 4.17Å
189A94.3Very high93.2Very high0 Ų036.8 Ų36.80%018%0.177CC..Hα-helixtrans-63.6-36.1178.700000111.5V176 P186 M187 F193 Y222 C269V176-A189 HydrophobicContact CG2-CB 4.37Å; P186-A189 PolarHBondContact O-N 3.15Å; M187-A189 PolarHBondContact O-N 3.1Å; A189-F193 WeakPolarHBondContact O-CB 3.32Å; A189-F193 PolarHBondContact O-N 3Å; A189-Y222 HydrophobicContact CB-CE1 4.48Å; A189-Y222 WeakPolarHBondContact CB-OH 3.33Å; A189-C269 HydrophobicContact CB-CB 3.9Å
190L95.7Very high91.9Very high4 Ų441.5 Ų41.52%0.02120%0.202CC..Hα-helixtrans-63.7-53.9176.6165.560.9000110.4P186 M187 F188 F193 L194 Y222 F236 E239 V245P186-L190 PolarHBondContact O-N 3.31Å; P186-L190 VanDerWaalsContact O-N 3.13Å; M187-L190 WeakPolarHBondContact O-CB 3.49Å; M187-L190 PolarHBondContact O-N 3.49Å; M187-L190 HydrophobicContact SD-CD2 3.93Å; F188-L190 VanDerWaalsContact C-N 3.26Å; F188-L190 PolarHBondContact O-N 3.49Å; L190-F193 PolarHBondContact O-N 3Å; L190-L194 HydrophobicContact CD1-CD1 3.71Å; L190-L194 HydrophobicContact CD1-CG 4.01Å; L190-L194 HydrophobicContact CG-CD1 4.27Å; L190-L194 WeakPolarHBondContact O-CG 3.46Å; L190-L194 PolarHBondContact O-N 2.98Å; L190-Y222 WeakPolarHBondContact CA-OH 3.43Å; L190-Y222 WeakPolarHBondContact CB-OH 3.38Å; L190-Y222 PolarHBondContact N-OH 2.91Å; L190-F236 HydrophobicContact CB-CD2 4.42Å; L190-F236 HydrophobicContact CB-CE2 4.03Å; L190-F236 HydrophobicContact CD2-CD2 3.89Å; L190-F236 HydrophobicContact CD2-CE2 3.95Å; L190-E239 HydrophobicContact CD2-CB 3.82Å; L190-V245 HydrophobicContact CD1-CB 4.11Å; L190-V245 HydrophobicContact CD1-CG1 4.04Å; L190-V245 HydrophobicContact CD1-CG2 3.62Å
191Q95.6Very high90.2Very high104 Ų10449.7 Ų49.749%0.48624%0.24SC..Hα-helixtrans-61.5-48.8-178.9-70.9176.8-18.700111.6M187 F188 F193 L194 E195M187-Q191 HydrophobicContact CG-CG 4.32Å; M187-Q191 WeakPolarHBondContact O-CG 3.41Å; M187-Q191 PolarHBondContact O-N 3.45Å; M187-Q191 HydrophobicContact SD-CG 4.14Å; F188-Q191 PolarHBondContact O-N 3.02Å; Q191-F193 VanDerWaalsContact C-N 3.31Å; Q191-F193 PolarHBondContact O-N 2.98Å; Q191-L194 PolarHBondContact O-N 3.29Å; Q191-E195 WeakPolarHBondContact O-CB 3.48Å; Q191-E195 WeakPolarHBondContact O-CG 3.41Å; Q191-E195 PolarHBondContact O-N 2.95Å
192A96Very high88.2Confident0 Ų056.1 Ų56.10%026%0.264CS..Hα-helixtrans-61.1-39178.900000112.7F188 W196 S313 L316F188-A192 HydrophobicContact CE1-CB 4.35Å; F188-A192 WeakPolarHBondContact O-CB 3.35Å; F188-A192 PolarHBondContact O-N 3.48Å; A192-W196 WeakPolarHBondContact O-CB 3.46Å; A192-W196 PolarHBondContact O-N 3.37Å; A192-S313 VanDerWaalsContact CB-CB 3.49Å; A192-L316 HydrophobicContact CB-CB 4.37Å; A192-L316 HydrophobicContact CB-CD2 3.66Å; A192-L316 HydrophobicContact CB-CG 4.28Å
193F96.4Very high86.4Confident1 Ų160.8 Ų60.80%0.00428%0.284CS..Hα-helixtrans-67.1-43.2176174-107000112.1F174 A189 L190 Q191 W196 R197 L220 I244 V245F174-F193 HydrophobicContact CD2-CD2 4.27Å; F174-F193 AromaticContact CD2-CE2 3.99Å; F174-F193 HydrophobicContact CD2-CE2 3.99Å; F174-F193 HydrophobicContact CE2-CE2 4.41Å; A189-F193 WeakPolarHBondContact O-CB 3.32Å; A189-F193 PolarHBondContact O-N 3Å; L190-F193 PolarHBondContact O-N 3Å; Q191-F193 VanDerWaalsContact C-N 3.31Å; Q191-F193 PolarHBondContact O-N 2.98Å; F193-W196 HydrophobicContact CD2-CE3 4.06Å; F193-W196 HydrophobicContact CD2-CZ3 4.37Å; F193-W196 HydrophobicContact CE2-CE3 4.03Å; F193-W196 AromaticContact CE2-CZ3 3.92Å; F193-W196 HydrophobicContact CE2-CZ3 3.92Å; F193-W196 PolarHBondContact O-N 2.68Å; F193-R197 VanDerWaalsContact O-CB 3.22Å; F193-R197 WeakPolarHBondContact O-CB 3.36Å; F193-R197 PolarHBondContact O-N 2.89Å; F193-L220 HydrophobicContact CB-CD2 3.8Å; F193-L220 HydrophobicContact CD1-CB 3.61Å; F193-L220 HydrophobicContact CD1-CD2 3.92Å; F193-L220 HydrophobicContact CD1-CG 4.4Å; F193-L220 HydrophobicContact CD2-CB 4.31Å; F193-L220 HydrophobicContact CE1-CB 3.56Å; F193-L220 HydrophobicContact CE2-CB 4.29Å; F193-L220 HydrophobicContact CG-CB 3.98Å; F193-L220 HydrophobicContact CG-CD2 3.89Å; F193-L220 HydrophobicContact CG-CG 4.46Å; F193-L220 HydrophobicContact CZ-CB 3.94Å; F193-I244 HydrophobicContact CE1-CG2 3.69Å; F193-I244 HydrophobicContact CZ-CG2 4.35Å; F193-V245 HydrophobicContact CD1-CG2 3.95Å; F193-V245 HydrophobicContact CE1-CG2 4.04Å
194L95.4Very high84.5Confident56 Ų5663.9 Ų63.929%0.29330%0.3SS..Hα-helixtrans-64.8-40.2176.5-69.5178.2000111.7L190 Q191 N198 I244 V245L190-L194 HydrophobicContact CD1-CD1 3.71Å; L190-L194 HydrophobicContact CD1-CG 4.01Å; L190-L194 HydrophobicContact CG-CD1 4.27Å; L190-L194 WeakPolarHBondContact O-CG 3.46Å; L190-L194 PolarHBondContact O-N 2.98Å; Q191-L194 PolarHBondContact O-N 3.29Å; L194-N198 WeakPolarHBondContact O-CB 3.5Å; L194-N198 VanDerWaalsContact O-CG 3.23Å; L194-N198 PolarHBondContact O-N 3.47Å; L194-N198 PolarHBondContact O-ND2 3.36Å; L194-I244 HydrophobicContact CD2-CG2 4.48Å; L194-V245 HydrophobicContact CD2-CG2 4.3Å
195E94.3Very high82.4Confident102 Ų10270.1 Ų70.148%0.47733%0.327SS..Hα-helixtrans-58-53.9172.6-75.6172.7-173.900110.8Q191 R197 N198 Q199 S313Q191-E195 WeakPolarHBondContact O-CB 3.48Å; Q191-E195 WeakPolarHBondContact O-CG 3.41Å; Q191-E195 PolarHBondContact O-N 2.95Å; E195-R197 PolarHBondContact O-N 2.85Å; E195-N198 CarbonylContact O-C 3.53Å; E195-N198 PolarHBondContact O-N 2.94Å; E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.45Å; E195-Q199 VanDerWaalsContact O-N 3.13Å; E195-S313 VanDerWaalsContact OE2-CB 3.28Å; E195-S313 WeakPolarHBondContact OE2-CB 3.43Å; E195-S313 PolarHBondContact OE2-OG 3.13Å; E195-S313 VanDerWaalsContact OE2-OG 3.08Å
196W94.7Very high80.4Confident2 Ų276.4 Ų76.41%0.00836%0.361CS..Hα-helixtrans-58.3-45.8178.2174.178.9000112.6F174 A192 F193 N198 Q199 I213 H215 Y218 G317 L320 T321F174-W196 AromaticContact CE2-CH2 3.85Å; F174-W196 HydrophobicContact CE2-CH2 3.85Å; F174-W196 AromaticContact CE2-CZ3 3.89Å; F174-W196 HydrophobicContact CE2-CZ3 3.89Å; F174-W196 HydrophobicContact CZ-CH2 4.31Å; A192-W196 WeakPolarHBondContact O-CB 3.46Å; A192-W196 PolarHBondContact O-N 3.37Å; F193-W196 HydrophobicContact CD2-CE3 4.06Å; F193-W196 HydrophobicContact CD2-CZ3 4.37Å; F193-W196 HydrophobicContact CE2-CE3 4.03Å; F193-W196 AromaticContact CE2-CZ3 3.92Å; F193-W196 HydrophobicContact CE2-CZ3 3.92Å; F193-W196 PolarHBondContact O-N 2.68Å; W196-N198 PolarHBondContact O-N 3.42Å; W196-Q199 WeakPolarHBondContact O-CG 3.29Å; W196-Q199 PolarHBondContact O-N 2.94Å; W196-I213 HydrophobicContact CH2-CG2 4.44Å; W196-I213 HydrophobicContact CZ2-CG2 4.29Å; W196-H215 AromaticContact CD2-ND1 3.77Å; W196-H215 AromaticContact CE2-CE1 3.65Å; W196-H215 AromaticContact CE2-ND1 3.16Å; W196-H215 AromaticContact CH2-ND1 3.69Å; W196-H215 AromaticContact CZ2-CE1 3.72Å; W196-H215 AromaticContact CZ2-ND1 3.13Å; W196-H215 WeakPolarHBondContact CZ2-ND1 3.48Å; W196-H215 AromaticContact NE1-CE1 3.53Å; W196-H215 AromaticContact NE1-ND1 3.49Å; W196-H215 PolarHBondContact NE1-ND1 2.79Å; W196-Y218 HydrophobicContact CH2-CD1 4.13Å; W196-Y218 AromaticContact CH2-CD2 3.81Å; W196-Y218 HydrophobicContact CH2-CD2 3.81Å; W196-Y218 HydrophobicContact CH2-CE1 4.47Å; W196-Y218 HydrophobicContact CH2-CE2 4.22Å; W196-Y218 AromaticContact CH2-CG 3.79Å; W196-Y218 HydrophobicContact CH2-CG 3.79Å; W196-Y218 HydrophobicContact CZ3-CD2 4.27Å; W196-Y218 AromaticContact CZ3-CG 3.99Å; W196-Y218 HydrophobicContact CZ3-CG 3.99Å; W196-G317 VanDerWaalsContact CD1-O 3.23Å; W196-G317 PolarHBondContact NE1-O 2.73Å; W196-L320 HydrophobicContact CD2-CB 4.46Å; W196-L320 HydrophobicContact CD2-CD1 4.21Å; W196-L320 HydrophobicContact CE3-CD1 4.35Å; W196-L320 HydrophobicContact CZ2-CB 4.16Å; W196-T321 PolarHBondContact NE1-OG1 3.38Å
197R94.2Very high78.4Confident35 Ų3579.2 Ų79.213%0.13238%0.38CS..Hα-helixtrans-67.5-26.6-179.7-176.1172.2179.2-71.32.3112.9F193 E195 H215 K216 Y218 I244F193-R197 VanDerWaalsContact O-CB 3.22Å; F193-R197 WeakPolarHBondContact O-CB 3.36Å; F193-R197 PolarHBondContact O-N 2.89Å; E195-R197 PolarHBondContact O-N 2.85Å; R197-H215 WeakPolarHBondContact CG-O 3.38Å; R197-K216 HydrophobicContact CG-CD 4.35Å; R197-K216 PolarHBondContact NE-O 2.84Å; R197-K216 PolarHBondContact NH2-O 2.75Å; R197-K216 WeakPolarHBondContact O-CD 3.15Å; R197-K216 WeakPolarHBondContact O-CE 3.39Å; R197-K216 PolarHBondContact O-NZ 3.17Å; R197-Y218 PolarHBondContact NE-O 3.12Å; R197-I244 VanDerWaalsContact NH1-CD1 3.33Å
198N90.9Very high76.5Confident76 Ų7688.1 Ų88.141%0.40642%0.418SS..THydrogen-bonded Turntrans-101.68.7-177.5-65.1-35.6000114.4L194 E195 W196 D200 K216L194-N198 WeakPolarHBondContact O-CB 3.5Å; L194-N198 VanDerWaalsContact O-CG 3.23Å; L194-N198 PolarHBondContact O-N 3.47Å; L194-N198 PolarHBondContact O-ND2 3.36Å; E195-N198 CarbonylContact O-C 3.53Å; E195-N198 PolarHBondContact O-N 2.94Å; W196-N198 PolarHBondContact O-N 3.42Å; N198-D200 PolarHBondContact O-N 3.05Å; N198-D200 VanDerWaalsContact O-N 3.07Å; N198-K216 PolarHBondContact OD1-NZ 3.02Å
199Q82.4Confident74.6Confident93 Ų9391.2 Ų91.244%0.43544%0.439SS..  trans-52.8118.9171.3-68.9-179.51.700109.6E195 W196 E201E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.45Å; E195-Q199 VanDerWaalsContact O-N 3.13Å; W196-Q199 WeakPolarHBondContact O-CG 3.29Å; W196-Q199 PolarHBondContact O-N 2.94Å; Q199-E201 PolarHBondContact O-N 3.13Å
200D63.2Low72.9Confident113 Ų11397 Ų9760%0.60448%0.475SS*.  trans-65.2127.1176.1-88.9-21.1000108.1N198 R202 E203N198-D200 PolarHBondContact O-N 3.05Å; N198-D200 VanDerWaalsContact O-N 3.07Å; D200-R202 HydrophobicContact CB-CB 4.15Å; D200-R202 HydrophobicContact CB-CG 4.38Å; D200-R202 PolarHBondContact O-N 3.13Å; D200-E203 PolarHBondContact O-N 3.4Å
201E56.4Low71.7Confident176 Ų17698.3 Ų98.382%0.82249%0.485SS*.THydrogen-bonded Turntrans-52.6-12.8170.6-66.6179.8166.900112.9Q199 E203 N204Q199-E201 PolarHBondContact O-N 3.13Å; E201-E203 PolarHBondContact O-N 3.05Å; E201-N204 PolarHBondContact O-N 3.13Å
202R48.9Very low70.9Confident187 Ų18799.1 Ų99.171%0.70650%0.497SS*.THydrogen-bonded Turntrans-66-30.1-179.9-62.6-176.7177.8-169.81.4113.6D200 N204 K205D200-R202 HydrophobicContact CB-CB 4.15Å; D200-R202 HydrophobicContact CB-CG 4.38Å; D200-R202 PolarHBondContact O-N 3.13Å; R202-N204 VanDerWaalsContact C-N 3.26Å; R202-N204 PolarHBondContact O-N 3.49Å; R202-K205 PolarHBondContact O-N 3.37Å
203E52.4Low70.4Confident172 Ų172100.1 Ų100.180%0.80450%0.502SS*.G310 helixtrans-69.2-26.2177.5-72.8-166.8160.900112.5D200 E201 K205D200-E203 PolarHBondContact O-N 3.4Å; E201-E203 PolarHBondContact O-N 3.05Å; E203-K205 VanDerWaalsContact C-N 3.34Å; E203-K205 PolarHBondContact O-N 3.27Å
204N50.7Low70.1Confident76 Ų76105 Ų10541%0.40653%0.528SS..G310 helixtrans-82.4-1176.8-85.4-25.4000114.5E201 R202 N206 S207E201-N204 PolarHBondContact O-N 3.13Å; R202-N204 VanDerWaalsContact C-N 3.26Å; R202-N204 PolarHBondContact O-N 3.49Å; N204-N206 PolarHBondContact O-N 3.11Å; N204-S207 PolarHBondContact O-N 2.56Å
205K48.5Very low69.9Low167 Ų167103.7 Ų103.773%0.72652%0.52SS*.G310 helixtrans-67-19.7179.3-75.7-172.3176.5-176.60114.3R202 E203R202-K205 PolarHBondContact O-N 3.37Å; E203-K205 VanDerWaalsContact C-N 3.34Å; E203-K205 PolarHBondContact O-N 3.27Å
206N53.4Low69.9Low168 Ų168103.6 Ų103.690%0.89852%0.518SS*.G310 helixtrans-100.7-4.2176.6-72.8-15.4000113.8N204N204-N206 PolarHBondContact O-N 3.11Å
207S53.4Low69.8Low62 Ų62105.6 Ų105.643%0.43453%0.532SS..SBendtrans-109.9120.2173.7-155.90000108N204 V209N204-S207 PolarHBondContact O-N 2.56Å; S207-V209 PolarHBondContact O-N 3.05Å
208K54.1Low69.9Low222 Ų222104.8 Ų104.897%0.96553%0.53SS*.SBendtrans-63.78.2-179-86.8-177.1176.1178.50114.6
209V55.9Low70.2Confident99 Ų99102 Ų10260%0.652%0.515SS*.  trans-105.499.1178.3-173.80000107.7S207 S211S207-V209 PolarHBondContact O-N 3.05Å; V209-S211 PolarHBondContact O-N 3.24Å
210T59.1Low71Confident121 Ų12197.6 Ų97.674%0.74249%0.494SS*.  trans-72.1116.7166.9500000107.9T212T210-T212 PolarHBondContact O-N 3.12Å
211S68.8Low72.6Confident33 Ų3392.2 Ų92.223%0.23147%0.465CS..  trans-52.8135.7168.8179.80000109.3V209 I213 E325V209-S211 PolarHBondContact O-N 3.24Å; S211-I213 VanDerWaalsContact C-N 3.26Å; S211-I213 PolarHBondContact OG-N 3.03Å; S211-E325 WeakPolarHBondContact CA-OE1 3.34Å; S211-E325 WeakPolarHBondContact CB-OE1 3.28Å; S211-E325 PolarHBondContact OG-OE1 3.07Å
212T78.9Confident74.6Confident120 Ų12083.9 Ų83.974%0.73643%0.426SS*.  trans-84.9-3.5177.952.20000112.4T210T210-T212 PolarHBondContact O-N 3.12Å
213I86.2Confident76.9Confident21 Ų2175.1 Ų75.111%0.10839%0.394CS..  trans-85.4126.8-173.5-52.9174.6000110.5W196 S211 H215 Y218 T321 E324 E325W196-I213 HydrophobicContact CH2-CG2 4.44Å; W196-I213 HydrophobicContact CZ2-CG2 4.29Å; S211-I213 VanDerWaalsContact C-N 3.26Å; S211-I213 PolarHBondContact OG-N 3.03Å; I213-H215 VanDerWaalsContact C-N 3.33Å; I213-H215 PolarHBondContact O-CD2 3.47Å; I213-H215 PolarHBondContact O-N 3.35Å; I213-H215 VanDerWaalsContact O-N 3.12Å; I213-Y218 HydrophobicContact CG2-CD2 4.45Å; I213-Y218 HydrophobicContact CG2-CE2 3.65Å; I213-T321 HydrophobicContact CD1-CG2 3.82Å; I213-E324 HydrophobicContact CD1-CB 3.62Å; I213-E324 HydrophobicContact CD1-CG 4.49Å; I213-E324 HydrophobicContact CG1-CB 4.01Å; I213-E325 HydrophobicContact CD1-CG 3.85Å; I213-E325 HydrophobicContact CG1-CG 3.88Å
214N90.6Very high78.8Confident103 Ų10367 Ų6755%0.55136%0.357SS*.  trans-82.280.4163-177.91.7000109.9K216 S217N214-K216 PolarHBondContact O-N 2.99Å; N214-K216 VanDerWaalsContact O-N 3.1Å; N214-K216 PolarHBondContact OD1-N 2.91Å; N214-S217 WeakPolarHBondContact O-CB 3.24Å; N214-S217 PolarHBondContact O-N 2.91Å; N214-S217 PolarHBondContact O-OG 3.41Å
215H91.8Very high80.7Confident30 Ų3065 Ų6514%0.13935%0.348CS..G310 helixtrans-50.8-38.3-177.7-65-83.3000112.7W196 R197 I213 S217 Y218W196-H215 AromaticContact CD2-ND1 3.77Å; W196-H215 AromaticContact CE2-CE1 3.65Å; W196-H215 AromaticContact CE2-ND1 3.16Å; W196-H215 AromaticContact CH2-ND1 3.69Å; W196-H215 AromaticContact CZ2-CE1 3.72Å; W196-H215 AromaticContact CZ2-ND1 3.13Å; W196-H215 WeakPolarHBondContact CZ2-ND1 3.48Å; W196-H215 AromaticContact NE1-CE1 3.53Å; W196-H215 AromaticContact NE1-ND1 3.49Å; W196-H215 PolarHBondContact NE1-ND1 2.79Å; R197-H215 WeakPolarHBondContact CG-O 3.38Å; I213-H215 VanDerWaalsContact C-N 3.33Å; I213-H215 PolarHBondContact O-CD2 3.47Å; I213-H215 PolarHBondContact O-N 3.35Å; I213-H215 VanDerWaalsContact O-N 3.12Å; H215-S217 PolarHBondContact O-N 3.19Å; H215-S217 VanDerWaalsContact O-N 3.13Å; H215-Y218 PolarHBondContact O-N 3.45Å
216K92.5Very high82.7Confident100 Ų10059.3 Ų59.344%0.43533%0.328SS..G310 helixtrans-65.7-15.1-178.8-59.7-67.4177.8176.50113.7R197 N198 N214R197-K216 HydrophobicContact CG-CD 4.35Å; R197-K216 PolarHBondContact NE-O 2.84Å; R197-K216 PolarHBondContact NH2-O 2.75Å; R197-K216 WeakPolarHBondContact O-CD 3.15Å; R197-K216 WeakPolarHBondContact O-CE 3.39Å; R197-K216 PolarHBondContact O-NZ 3.17Å; N198-K216 PolarHBondContact OD1-NZ 3.02Å; N214-K216 PolarHBondContact O-N 2.99Å; N214-K216 VanDerWaalsContact O-N 3.1Å; N214-K216 PolarHBondContact OD1-N 2.91Å
217S93.8Very high84.2Confident43 Ų4353 Ų5330%0.30129%0.293SS..G310 helixtrans-81.6-16.9177.668.20000114.3P172 N214 H215P172-S217 WeakPolarHBondContact CD-O 3.34Å; N214-S217 WeakPolarHBondContact O-CB 3.24Å; N214-S217 PolarHBondContact O-N 2.91Å; N214-S217 PolarHBondContact O-OG 3.41Å; H215-S217 PolarHBondContact O-N 3.19Å; H215-S217 VanDerWaalsContact O-N 3.13Å
218Y96.5Very high85.3Confident19 Ų1957.9 Ų57.98%0.07531%0.308CS..  trans-80.8144.9-174.8-71.1-108.5000112.1P172 F174 W196 R197 I213 H215 Q264 E324P172-Y218 HydrophobicContact CB-CD1 4.01Å; P172-Y218 HydrophobicContact CB-CE1 3.92Å; P172-Y218 HydrophobicContact CG-CD1 3.93Å; P172-Y218 HydrophobicContact CG-CD2 4.03Å; P172-Y218 HydrophobicContact CG-CE1 3.99Å; P172-Y218 HydrophobicContact CG-CE2 4.04Å; P172-Y218 HydrophobicContact CG-CG 3.95Å; P172-Y218 WeakPolarHBondContact O-CA 3.42Å; F174-Y218 HydrophobicContact CD2-CD1 4.2Å; F174-Y218 AromaticContact CE2-CD1 3.49Å; F174-Y218 HydrophobicContact CE2-CD1 3.49Å; F174-Y218 VanDerWaalsContact CE2-CD1 3.49Å; F174-Y218 HydrophobicContact CE2-CE1 4.06Å; F174-Y218 HydrophobicContact CE2-CG 4.22Å; F174-Y218 AromaticContact CZ-CD1 3.69Å; F174-Y218 HydrophobicContact CZ-CD1 3.69Å; F174-Y218 AromaticContact CZ-CE1 3.77Å; F174-Y218 HydrophobicContact CZ-CE1 3.77Å; W196-Y218 HydrophobicContact CH2-CD1 4.13Å; W196-Y218 AromaticContact CH2-CD2 3.81Å; W196-Y218 HydrophobicContact CH2-CD2 3.81Å; W196-Y218 HydrophobicContact CH2-CE1 4.47Å; W196-Y218 HydrophobicContact CH2-CE2 4.22Å; W196-Y218 AromaticContact CH2-CG 3.79Å; W196-Y218 HydrophobicContact CH2-CG 3.79Å; W196-Y218 HydrophobicContact CZ3-CD2 4.27Å; W196-Y218 AromaticContact CZ3-CG 3.99Å; W196-Y218 HydrophobicContact CZ3-CG 3.99Å; R197-Y218 PolarHBondContact NE-O 3.12Å; I213-Y218 HydrophobicContact CG2-CD2 4.45Å; I213-Y218 HydrophobicContact CG2-CE2 3.65Å; H215-Y218 PolarHBondContact O-N 3.45Å; Y218-Q264 HydrophobicContact CE1-CG 4.06Å; Y218-E324 HydrophobicContact CE1-CG 4.12Å; Y218-E324 VanDerWaalsContact OH-CD 3.27Å; Y218-E324 WeakPolarHBondContact OH-CG 3.39Å; Y218-E324 PolarHBondContact OH-OE2 2.82Å
219N97.5Very high86.4Confident18 Ų1855.1 Ų55.110%0.09631%0.305CS..EExtended strand (participates in β ladder)trans-110.4161.4168.8-66.2-84.1000111.2L170 P172 F173 F174 I244 H246L170-N219 HydrophobicContact CD2-CB 4.38Å; L170-N219 PolarHBondContact O-ND2 2.93Å; P172-N219 PolarHBondContact O-N 3.1Å; F173-N219 WeakPolarHBondContact CA-O 3.36Å; F173-N219 HydrophobicContact CB-CB 3.99Å; F174-N219 PolarHBondContact N-O 2.88Å; N219-I244 WeakPolarHBondContact CA-O 3.48Å; N219-I244 PolarHBondContact OD1-O 2.88Å; N219-H246 PolarHBondContact OD1-NE2 3.06Å
220L97.9Very high87.6Confident0 Ų051.5 Ų51.50%028%0.282CS..EExtended strand (participates in β ladder)trans-120126.5169.1179.662.9000109.4F174 V176 F193 Y222 I244 V245 H246 I267F174-L220 HydrophobicContact CB-CD1 4.04Å; V176-L220 HydrophobicContact CG2-CD1 4.12Å; F193-L220 HydrophobicContact CB-CD2 3.8Å; F193-L220 HydrophobicContact CD1-CB 3.61Å; F193-L220 HydrophobicContact CD1-CD2 3.92Å; F193-L220 HydrophobicContact CD1-CG 4.4Å; F193-L220 HydrophobicContact CD2-CB 4.31Å; F193-L220 HydrophobicContact CE1-CB 3.56Å; F193-L220 HydrophobicContact CE2-CB 4.29Å; F193-L220 HydrophobicContact CG-CB 3.98Å; F193-L220 HydrophobicContact CG-CD2 3.89Å; F193-L220 HydrophobicContact CG-CG 4.46Å; F193-L220 HydrophobicContact CZ-CB 3.94Å; L220-Y222 HydrophobicContact CD2-CD2 4.46Å; L220-Y222 HydrophobicContact CD2-CE2 3.47Å; L220-Y222 VanDerWaalsContact CD2-CE2 3.47Å; L220-Y222 HydrophobicContact CG-CD2 4.28Å; L220-Y222 HydrophobicContact CG-CE2 3.74Å; L220-I244 PolarHBondContact N-O 3.47Å; L220-V245 HydrophobicContact CB-CG1 4.3Å; L220-V245 HydrophobicContact CB-CG2 4.23Å; L220-V245 HydrophobicContact CD2-CG1 4.33Å; L220-V245 HydrophobicContact CG-CG1 4.41Å; L220-V245 WeakPolarHBondContact O-CA 3.28Å; L220-H246 PolarHBondContact O-N 2.91Å; L220-I267 HydrophobicContact CD1-CD1 4.19Å
221L97.8Very high88.9Confident0 Ų054.1 Ų54.10%029%0.286CS..EExtended strand (participates in β ladder)trans-113.8120.9178.5178.865.3000110.8V162 L166 L170 F173 F174 V175 V176 V223 H246 L259V162-L221 HydrophobicContact CG1-CD2 4.43Å; L166-L221 HydrophobicContact CD1-CD1 4.01Å; L170-L221 HydrophobicContact CD1-CD2 4.05Å; F173-L221 HydrophobicContact CD2-CB 3.98Å; F173-L221 HydrophobicContact CD2-CD2 4.4Å; F173-L221 HydrophobicContact CE2-CB 4.41Å; F173-L221 HydrophobicContact CE2-CD2 4.06Å; F174-L221 PolarHBondContact O-N 2.87Å; V175-L221 CarbonylContact C-O 3.58Å; V175-L221 WeakPolarHBondContact CA-O 3.19Å; V176-L221 PolarHBondContact N-O 3.46Å; L221-V223 HydrophobicContact CD2-CG2 3.91Å; L221-V223 HydrophobicContact CG-CG2 3.89Å; L221-H246 HydrophobicContact CD1-CB 3.87Å; L221-L259 HydrophobicContact CD2-CD1 4.27Å
222Y97.6Very high89.9Confident0 Ų057 Ų570%030%0.299CS..EExtended strand (participates in β ladder)trans-93128.2166.9-67.7-96.1000110.2V176 L180 P186 A189 L190 L220 F236 V245 H246 R247 C248V176-Y222 HydrophobicContact CB-CD1 3.65Å; V176-Y222 HydrophobicContact CB-CE1 3.87Å; V176-Y222 HydrophobicContact CB-CG 4.33Å; V176-Y222 HydrophobicContact CG1-CD1 3.75Å; V176-Y222 HydrophobicContact CG1-CE1 3.89Å; V176-Y222 HydrophobicContact CG2-CD1 4.19Å; V176-Y222 HydrophobicContact CG2-CE1 3.92Å; V176-Y222 CarbonylContact O-C 3.53Å; V176-Y222 WeakPolarHBondContact O-CA 3.44Å; L180-Y222 HydrophobicContact CD2-CD1 4.2Å; P186-Y222 HydrophobicContact CB-CD1 4.24Å; P186-Y222 HydrophobicContact CB-CE1 3.69Å; P186-Y222 PolarHBondContact O-OH 2.95Å; A189-Y222 HydrophobicContact CB-CE1 4.48Å; A189-Y222 WeakPolarHBondContact CB-OH 3.33Å; L190-Y222 WeakPolarHBondContact CA-OH 3.43Å; L190-Y222 WeakPolarHBondContact CB-OH 3.38Å; L190-Y222 PolarHBondContact N-OH 2.91Å; L220-Y222 HydrophobicContact CD2-CD2 4.46Å; L220-Y222 HydrophobicContact CD2-CE2 3.47Å; L220-Y222 VanDerWaalsContact CD2-CE2 3.47Å; L220-Y222 HydrophobicContact CG-CD2 4.28Å; L220-Y222 HydrophobicContact CG-CE2 3.74Å; Y222-F236 AromaticContact CD1-CZ 3.88Å; Y222-F236 HydrophobicContact CD1-CZ 3.88Å; Y222-F236 AromaticContact CD2-CZ 3.89Å; Y222-F236 HydrophobicContact CD2-CZ 3.89Å; Y222-F236 HydrophobicContact CE1-CE2 4.08Å; Y222-F236 AromaticContact CE1-CZ 3.76Å; Y222-F236 HydrophobicContact CE1-CZ 3.76Å; Y222-F236 HydrophobicContact CE2-CE2 4Å; Y222-F236 AromaticContact CE2-CZ 3.79Å; Y222-F236 HydrophobicContact CE2-CZ 3.79Å; Y222-F236 AromaticContact CG-CZ 3.93Å; Y222-F236 HydrophobicContact CG-CZ 3.93Å; Y222-F236 AromaticContact CZ-CE2 3.73Å; Y222-F236 AromaticContact CZ-CZ 3.71Å; Y222-V245 HydrophobicContact CD2-CG1 3.88Å; Y222-V245 HydrophobicContact CE2-CG1 3.6Å; Y222-H246 PolarHBondContact N-O 3.11Å; Y222-R247 CarbonylContact O-C 3.54Å; Y222-R247 WeakPolarHBondContact O-CA 3.22Å; Y222-C248 PolarHBondContact O-N 3.44Å
223V96.7Very high90.5Very high3 Ų351.4 Ų51.42%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-120.1113.4177.3-173.30000109.4V175 V176 V177 G178 L221 L251 V256 L259V175-V223 HydrophobicContact CG2-CG2 3.82Å; V176-V223 PolarHBondContact O-N 2.86Å; V177-V223 WeakPolarHBondContact CA-O 3.38Å; V177-V223 HydrophobicContact CG2-CB 4.35Å; G178-V223 PolarHBondContact N-O 2.84Å; L221-V223 HydrophobicContact CD2-CG2 3.91Å; L221-V223 HydrophobicContact CG-CG2 3.89Å; V223-L251 HydrophobicContact CG1-CD1 3.92Å; V223-L251 HydrophobicContact CG1-CG 4.11Å; V223-V256 HydrophobicContact CG1-CG2 4.23Å; V223-L259 HydrophobicContact CG2-CD1 4.05Å
224G93.7Very high90.7Very high3 Ų355.1 Ų55.13%0.03128%0.281CS..SBendtrans153.4156174.600000113.5R247 C248G224-R247 PolarHBondContact O-NH1 2.68Å; G224-R247 PolarHBondContact O-NH2 3.37Å; G224-C248 PolarHBondContact N-O 2.75Å
225S90.3Very high90.7Very high32 Ų3255.6 Ų55.622%0.22428%0.28CS..PPolyproline II helixtrans-72168.8175.5-57.50000111.8L179 L180 S250L179-S225 WeakPolarHBondContact CD1-O 3.35Å; L180-S225 PolarHBondContact N-O 3.39Å; S225-S250 WeakPolarHBondContact CB-OG 3.32Å; S225-S250 PolarHBondContact N-OG 2.74Å; S225-S250 VanDerWaalsContact OG-CB 3.32Å; S225-S250 WeakPolarHBondContact OG-CB 3.31Å; S225-S250 PolarHBondContact OG-N 3.12Å; S225-S250 PolarHBondContact OG-OG 2.9Å
226V89.6Confident90.8Very high49 Ų4954.2 Ų54.230%0.29727%0.274SS..BIsolated β-bridgetrans-93.8137.5174.8177.80000108.9I233 I237V226-I233 HydrophobicContact CG1-CB 4.33Å; V226-I233 HydrophobicContact CG1-CG2 3.68Å; V226-I233 HydrophobicContact CG2-CG2 4.26Å; V226-I237 HydrophobicContact CG1-CD1 4.44Å; V226-I237 HydrophobicContact CG2-CD1 3.55Å
227E85.2Confident90.8Very high35 Ų3551.6 Ų51.616%0.16426%0.264CS..PPolyproline II helixtrans-72.3133.6169-175.8160.7-121.100110K8 L179 L180 R181 T230K8-E227 IonicContact NZ-OE1 3.71Å; K8-E227 PolarHBondContact NZ-OE1 3.03Å; L179-E227 HydrophobicContact CD2-CB 4.11Å; L179-E227 HydrophobicContact CD2-CG 4.48Å; L179-E227 HydrophobicContact CG-CB 4.26Å; L180-E227 PolarHBondContact O-N 3.44Å; R181-E227 HydrophobicContact CB-CB 3.83Å; R181-E227 HydrophobicContact CB-CG 4.45Å; R181-E227 WeakPolarHBondContact CB-OE2 3.39Å; R181-E227 WeakPolarHBondContact CD-OE2 3.4Å; E227-T230 HydrophobicContact CB-CG2 4.03Å; E227-T230 HydrophobicContact CG-CG2 4.19Å; E227-T230 PolarHBondContact O-OG1 2.91Å
228E77.7Confident90.7Very high164 Ų16455.2 Ų55.277%0.76628%0.28SS*.THydrogen-bonded Turntrans-55.7150175.4-65.4169.917900111.3T230E228-T230 PolarHBondContact O-N 3.01Å
229D76.1Confident90.6Very high165 Ų16559.9 Ų59.988%0.88230%0.303SS*.THydrogen-bonded Turntrans59.538.4175.5-52.4-37.9000115.3
230T81.4Confident90.3Very high22 Ų2260.5 Ų60.514%0.13531%0.306CS..  trans-11683.5178.456.40000112.6E227 E228 N232 I233 Q234E227-T230 HydrophobicContact CB-CG2 4.03Å; E227-T230 HydrophobicContact CG-CG2 4.19Å; E227-T230 PolarHBondContact O-OG1 2.91Å; E228-T230 PolarHBondContact O-N 3.01Å; T230-N232 VanDerWaalsContact C-N 3.27Å; T230-N232 PolarHBondContact O-N 2.89Å; T230-I233 HydrophobicContact CG2-CG1 4.38Å; T230-I233 WeakPolarHBondContact O-CB 3.44Å; T230-I233 PolarHBondContact O-N 2.95Å; T230-I233 WeakPolarHBondContact OG1-CB 3.41Å; T230-I233 WeakPolarHBondContact OG1-CG1 3.34Å; T230-Q234 PolarHBondContact O-N 2.89Å
231E86.6Confident89.8Confident176 Ų17664 Ų6482%0.82233%0.325SS*.Hα-helixtrans-53.5-41.4-178.8-67.9-178.117800113I233 Q234 Q235E231-I233 PolarHBondContact O-N 3.18Å; E231-Q234 WeakPolarHBondContact O-CB 3.32Å; E231-Q234 PolarHBondContact O-N 3.4Å; E231-Q234 VanDerWaalsContact O-N 3.14Å; E231-Q235 PolarHBondContact O-N 3.47Å; E231-Q235 VanDerWaalsContact O-N 3.13Å
232N89.4Confident89.3Confident93 Ų9365.8 Ų65.850%0.49734%0.343SS..Hα-helixtrans-61.7-31.2177.5-64.8-40.6000112.6D182 T230 F236D182-N232 PolarHBondContact OD2-ND2 2.67Å; T230-N232 VanDerWaalsContact C-N 3.27Å; T230-N232 PolarHBondContact O-N 2.89Å; N232-F236 PolarHBondContact O-N 3.43Å; N232-F236 VanDerWaalsContact O-N 3.09Å
233I91.7Very high88.9Confident3 Ų373.5 Ų73.52%0.01538%0.377CS..Hα-helixtrans-77.7-32.8178.5-56-64.6000110.8L180 P186 V226 T230 E231 Q235 F236 I237L180-I233 HydrophobicContact CB-CG2 3.89Å; L180-I233 HydrophobicContact CD1-CG2 4.47Å; P186-I233 HydrophobicContact CG-CD1 3.55Å; V226-I233 HydrophobicContact CG1-CB 4.33Å; V226-I233 HydrophobicContact CG1-CG2 3.68Å; V226-I233 HydrophobicContact CG2-CG2 4.26Å; T230-I233 HydrophobicContact CG2-CG1 4.38Å; T230-I233 WeakPolarHBondContact O-CB 3.44Å; T230-I233 PolarHBondContact O-N 2.95Å; T230-I233 WeakPolarHBondContact OG1-CB 3.41Å; T230-I233 WeakPolarHBondContact OG1-CG1 3.34Å; E231-I233 PolarHBondContact O-N 3.18Å; I233-Q235 VanDerWaalsContact C-N 3.34Å; I233-F236 HydrophobicContact CG2-CD1 4.38Å; I233-F236 WeakPolarHBondContact O-CB 3.3Å; I233-F236 PolarHBondContact O-N 3.32Å; I233-I237 HydrophobicContact CG2-CD1 4.18Å; I233-I237 HydrophobicContact CG2-CG1 4.49Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.36Å; I233-I237 PolarHBondContact O-N 3.24Å
234Q90.5Very high88.8Confident99 Ų9975 Ų7546%0.46338%0.384SS..Hα-helixtrans-61.7-45.7171.6-17257.955.200110.7T230 E231 F236 I237 D238T230-Q234 PolarHBondContact O-N 2.89Å; E231-Q234 WeakPolarHBondContact O-CB 3.32Å; E231-Q234 PolarHBondContact O-N 3.4Å; E231-Q234 VanDerWaalsContact O-N 3.14Å; Q234-F236 VanDerWaalsContact C-N 3.3Å; Q234-F236 PolarHBondContact O-N 3.25Å; Q234-I237 PolarHBondContact O-N 2.98Å; Q234-I237 VanDerWaalsContact O-N 3.11Å; Q234-D238 PolarHBondContact NE2-OD1 3.11Å; Q234-D238 VanDerWaalsContact O-CG 3.25Å; Q234-D238 PolarHBondContact O-N 3.12Å
235Q91.5Very high89Confident113 Ų11375 Ų7553%0.52838%0.384SS..Hα-helixtrans-58.3-42173.7-174.3-178.2-3.200111.9M187 E231 I233 I237 D238 E239M187-Q235 HydrophobicContact CE-CG 4.48Å; E231-Q235 PolarHBondContact O-N 3.47Å; E231-Q235 VanDerWaalsContact O-N 3.13Å; I233-Q235 VanDerWaalsContact C-N 3.34Å; Q235-I237 PolarHBondContact O-N 3.45Å; Q235-D238 PolarHBondContact O-N 3.38Å; Q235-E239 WeakPolarHBondContact O-CG 3.48Å; Q235-E239 PolarHBondContact O-N 3.28Å
236F93.5Very high89.3Confident1 Ų173.7 Ų73.70%0.00437%0.374CS..Hα-helixtrans-59.2-43.7173.6158.8-97.8000113L180 P186 M187 L190 Y222 N232 I233 Q234 D238 E239 I240L180-F236 HydrophobicContact CD1-CD1 4.01Å; L180-F236 HydrophobicContact CD1-CE1 3.4Å; L180-F236 HydrophobicContact CD1-CZ 4.33Å; P186-F236 HydrophobicContact CB-CD1 4.11Å; P186-F236 HydrophobicContact CB-CD2 3.97Å; P186-F236 HydrophobicContact CB-CE1 3.95Å; P186-F236 HydrophobicContact CB-CE2 3.77Å; P186-F236 HydrophobicContact CB-CG 4.13Å; P186-F236 HydrophobicContact CB-CZ 3.76Å; P186-F236 HydrophobicContact CG-CB 4.45Å; P186-F236 HydrophobicContact CG-CD1 3.88Å; P186-F236 HydrophobicContact CG-CD2 4.16Å; P186-F236 HydrophobicContact CG-CE1 4.2Å; P186-F236 HydrophobicContact CG-CE2 4.42Å; P186-F236 HydrophobicContact CG-CG 3.87Å; P186-F236 HydrophobicContact CG-CZ 4.44Å; M187-F236 HydrophobicContact CB-CD2 4.48Å; M187-F236 VanDerWaalsContact CE-CA 3.49Å; M187-F236 HydrophobicContact CE-CB 3.94Å; L190-F236 HydrophobicContact CB-CD2 4.42Å; L190-F236 HydrophobicContact CB-CE2 4.03Å; L190-F236 HydrophobicContact CD2-CD2 3.89Å; L190-F236 HydrophobicContact CD2-CE2 3.95Å; Y222-F236 AromaticContact CD1-CZ 3.88Å; Y222-F236 HydrophobicContact CD1-CZ 3.88Å; Y222-F236 AromaticContact CD2-CZ 3.89Å; Y222-F236 HydrophobicContact CD2-CZ 3.89Å; Y222-F236 HydrophobicContact CE1-CE2 4.08Å; Y222-F236 AromaticContact CE1-CZ 3.76Å; Y222-F236 HydrophobicContact CE1-CZ 3.76Å; Y222-F236 HydrophobicContact CE2-CE2 4Å; Y222-F236 AromaticContact CE2-CZ 3.79Å; Y222-F236 HydrophobicContact CE2-CZ 3.79Å; Y222-F236 AromaticContact CG-CZ 3.93Å; Y222-F236 HydrophobicContact CG-CZ 3.93Å; Y222-F236 AromaticContact CZ-CE2 3.73Å; Y222-F236 AromaticContact CZ-CZ 3.71Å; N232-F236 PolarHBondContact O-N 3.43Å; N232-F236 VanDerWaalsContact O-N 3.09Å; I233-F236 HydrophobicContact CG2-CD1 4.38Å; I233-F236 WeakPolarHBondContact O-CB 3.3Å; I233-F236 PolarHBondContact O-N 3.32Å; Q234-F236 VanDerWaalsContact C-N 3.3Å; Q234-F236 PolarHBondContact O-N 3.25Å; F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 2.8Å; F236-E239 PolarHBondContact O-N 2.87Å; F236-I240 HydrophobicContact CD1-CD1 4.49Å; F236-I240 HydrophobicContact CE1-CD1 3.69Å; F236-I240 HydrophobicContact CE1-CG1 4.44Å; F236-I240 HydrophobicContact CE2-CD1 4.27Å; F236-I240 HydrophobicContact CE2-CG1 4.32Å; F236-I240 HydrophobicContact CZ-CD1 3.58Å; F236-I240 HydrophobicContact CZ-CG1 4.12Å; F236-I240 WeakPolarHBondContact O-CG1 3.44Å
237I92.2Very high89.6Confident45 Ų4573.5 Ų73.523%0.23137%0.368CS..Hα-helixtrans-63.2-40.2179.5-68.4162.1000110.7V226 I233 Q234 Q235 E239 I240V226-I237 HydrophobicContact CG1-CD1 4.44Å; V226-I237 HydrophobicContact CG2-CD1 3.55Å; I233-I237 HydrophobicContact CG2-CD1 4.18Å; I233-I237 HydrophobicContact CG2-CG1 4.49Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.36Å; I233-I237 PolarHBondContact O-N 3.24Å; Q234-I237 PolarHBondContact O-N 2.98Å; Q234-I237 VanDerWaalsContact O-N 3.11Å; Q235-I237 PolarHBondContact O-N 3.45Å; I237-E239 PolarHBondContact O-N 3.47Å; I237-I240 WeakPolarHBondContact O-CB 3.16Å; I237-I240 PolarHBondContact O-N 2.88Å; I237-I240 VanDerWaalsContact O-N 3.12Å
238D92.3Very high90Very high119 Ų11972.2 Ų72.264%0.63636%0.363SS*.Hα-helixtrans-66.1-26-179.5-62.7-15.9000112.6Q234 Q235 F236Q234-D238 PolarHBondContact NE2-OD1 3.11Å; Q234-D238 VanDerWaalsContact O-CG 3.25Å; Q234-D238 PolarHBondContact O-N 3.12Å; Q235-D238 PolarHBondContact O-N 3.38Å; F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 2.8Å
239E93.5Very high90.7Very high118 Ų11868.4 Ų68.455%0.55135%0.347SS*.THydrogen-bonded Turntrans-80.2-11.6175.3-68-72.2170.900113.6M187 L190 Q235 F236 I237 D241M187-E239 HydrophobicContact CE-CB 4.4Å; M187-E239 HydrophobicContact CE-CG 3.91Å; L190-E239 HydrophobicContact CD2-CB 3.82Å; Q235-E239 WeakPolarHBondContact O-CG 3.48Å; Q235-E239 PolarHBondContact O-N 3.28Å; F236-E239 PolarHBondContact O-N 2.87Å; I237-E239 PolarHBondContact O-N 3.47Å; E239-D241 PolarHBondContact O-N 3.05Å
240I91.9Very high91.3Very high30 Ų3061.3 Ų61.315%0.15431%0.311CS..  trans-74.3114.6178.6-60.5-178.9000109.7F236 I237 G242 V245 R247F236-I240 HydrophobicContact CD1-CD1 4.49Å; F236-I240 HydrophobicContact CE1-CD1 3.69Å; F236-I240 HydrophobicContact CE1-CG1 4.44Å; F236-I240 HydrophobicContact CE2-CD1 4.27Å; F236-I240 HydrophobicContact CE2-CG1 4.32Å; F236-I240 HydrophobicContact CZ-CD1 3.58Å; F236-I240 HydrophobicContact CZ-CG1 4.12Å; F236-I240 WeakPolarHBondContact O-CG1 3.44Å; I237-I240 WeakPolarHBondContact O-CB 3.16Å; I237-I240 PolarHBondContact O-N 2.88Å; I237-I240 VanDerWaalsContact O-N 3.12Å; I240-G242 VanDerWaalsContact C-N 3.31Å; I240-G242 PolarHBondContact O-N 2.99Å; I240-V245 HydrophobicContact CG1-CG1 4.48Å; I240-V245 HydrophobicContact CG2-CB 4.36Å; I240-V245 HydrophobicContact CG2-CG1 4.26Å; I240-V245 WeakPolarHBondContact CG2-O 3.14Å; I240-R247 HydrophobicContact CD1-CB 3.82Å
241D86.3Confident91.9Very high74 Ų7461.9 Ų61.940%0.39631%0.313SS..  trans-74-17.6-176.673.7-4.5000114.9E239 K243 I244 V245E239-D241 PolarHBondContact O-N 3.05Å; D241-K243 PolarHBondContact O-N 2.9Å; D241-K243 PolarHBondContact OD1-N 3.45Å; D241-I244 PolarHBondContact OD1-N 3.45Å; D241-V245 PolarHBondContact OD1-N 3.39Å; D241-V245 VanDerWaalsContact OD1-N 3.12Å
242G86.9Confident92.2Very high38 Ų3856.6 Ų56.639%0.39229%0.293SS..SBendtrans678.5-174.600000114.5I240 V245 H246I240-G242 VanDerWaalsContact C-N 3.31Å; I240-G242 PolarHBondContact O-N 2.99Å; G242-V245 WeakPolarHBondContact CA-O 3.48Å; G242-V245 PolarHBondContact N-O 3.3Å; G242-H246 PolarHBondContact O-CE1 3.48Å
243K90.1Very high92.4Very high162 Ų16255.5 Ų55.570%0.70429%0.285SS*.SBendtrans-109.4-42.4-178.8-65.5177.6-177.1171.90111.8D241 H246D241-K243 PolarHBondContact O-N 2.9Å; D241-K243 PolarHBondContact OD1-N 3.45Å; K243-H246 VanDerWaalsContact C-CE1 3.46Å; K243-H246 PolarHBondContact O-CE1 3.4Å; K243-H246 PolarHBondContact O-NE2 3.31Å
244I95Very high92.5Very high35 Ų3558.7 Ų58.718%0.17930%0.299CS..SBendtrans-121-35.1-175.5-69.9157.8000110F193 L194 R197 N219 L220 D241F193-I244 HydrophobicContact CE1-CG2 3.69Å; F193-I244 HydrophobicContact CZ-CG2 4.35Å; L194-I244 HydrophobicContact CD2-CG2 4.48Å; R197-I244 VanDerWaalsContact NH1-CD1 3.33Å; N219-I244 WeakPolarHBondContact CA-O 3.48Å; N219-I244 PolarHBondContact OD1-O 2.88Å; L220-I244 PolarHBondContact N-O 3.47Å; D241-I244 PolarHBondContact OD1-N 3.45Å
245V97.1Very high92.7Very high2 Ų256.8 Ų56.81%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-111.9133.2173.6-1750000108.7L190 F193 L194 L220 Y222 I240 D241 G242L190-V245 HydrophobicContact CD1-CB 4.11Å; L190-V245 HydrophobicContact CD1-CG1 4.04Å; L190-V245 HydrophobicContact CD1-CG2 3.62Å; F193-V245 HydrophobicContact CD1-CG2 3.95Å; F193-V245 HydrophobicContact CE1-CG2 4.04Å; L194-V245 HydrophobicContact CD2-CG2 4.3Å; L220-V245 HydrophobicContact CB-CG1 4.3Å; L220-V245 HydrophobicContact CB-CG2 4.23Å; L220-V245 HydrophobicContact CD2-CG1 4.33Å; L220-V245 HydrophobicContact CG-CG1 4.41Å; L220-V245 WeakPolarHBondContact O-CA 3.28Å; Y222-V245 HydrophobicContact CD2-CG1 3.88Å; Y222-V245 HydrophobicContact CE2-CG1 3.6Å; I240-V245 HydrophobicContact CG1-CG1 4.48Å; I240-V245 HydrophobicContact CG2-CB 4.36Å; I240-V245 HydrophobicContact CG2-CG1 4.26Å; I240-V245 WeakPolarHBondContact CG2-O 3.14Å; D241-V245 PolarHBondContact OD1-N 3.39Å; D241-V245 VanDerWaalsContact OD1-N 3.12Å; G242-V245 WeakPolarHBondContact CA-O 3.48Å; G242-V245 PolarHBondContact N-O 3.3Å
246H96.8Very high93Very high4 Ų452 Ų522%0.01927%0.268CS..EExtended strand (participates in β ladder)trans-129152.6-171.5-52.6-76.1000110L166 L170 N219 L220 L221 Y222 G242 K243L166-H246 HydrophobicContact CD1-CB 3.94Å; L166-H246 HydrophobicContact CD2-CB 4.48Å; L170-H246 HydrophobicContact CD2-CB 4.29Å; L170-H246 VanDerWaalsContact CD2-CD2 3.48Å; L170-H246 WeakPolarHBondContact CD2-CD2 3.39Å; N219-H246 PolarHBondContact OD1-NE2 3.06Å; L220-H246 PolarHBondContact O-N 2.91Å; L221-H246 HydrophobicContact CD1-CB 3.87Å; Y222-H246 PolarHBondContact N-O 3.11Å; G242-H246 PolarHBondContact O-CE1 3.48Å; K243-H246 VanDerWaalsContact C-CE1 3.46Å; K243-H246 PolarHBondContact O-CE1 3.4Å; K243-H246 PolarHBondContact O-NE2 3.31Å
247R95.5Very high93.2Very high45 Ų4552.3 Ų52.317%0.1727%0.27CS..EExtended strand (participates in β ladder)trans-135.4136.1176.4176.6-173.415261.921.8109.7L166 Y222 G224 I240 D249L166-R247 WeakPolarHBondContact CD2-O 3.49Å; Y222-R247 CarbonylContact O-C 3.54Å; Y222-R247 WeakPolarHBondContact O-CA 3.22Å; G224-R247 PolarHBondContact O-NH1 2.68Å; G224-R247 PolarHBondContact O-NH2 3.37Å; I240-R247 HydrophobicContact CD1-CB 3.82Å; R247-D249 IonicContact CZ-OD1 3.93Å; R247-D249 IonicContact NH2-OD1 3.57Å; R247-D249 PolarHBondContact NH2-OD1 3.3Å
248C93.5Very high93.5Very high9 Ų950.2 Ų50.26%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-126.7152.9161.863.90000110.7Y222 G224Y222-C248 PolarHBondContact O-N 3.44Å; G224-C248 PolarHBondContact N-O 2.75Å
249D92.4Very high93.7Very high83 Ų8344.6 Ų44.644%0.44423%0.229SC..  trans-66.2176.7176.5-59.3-45000111.8R247 L251R247-D249 IonicContact CZ-OD1 3.93Å; R247-D249 IonicContact NH2-OD1 3.57Å; R247-D249 PolarHBondContact NH2-OD1 3.3Å; D249-L251 PolarHBondContact O-N 2.97Å
250S90.3Very high94Very high16 Ų1639 Ų3911%0.11220%0.202CC..  trans-53.8134.1176.7-65.20000111.2F11 S225F11-S250 VanDerWaalsContact CD1-CB 3.4Å; F11-S250 PolarHBondContact O-OG 3.35Å; S225-S250 WeakPolarHBondContact CB-OG 3.32Å; S225-S250 PolarHBondContact N-OG 2.74Å; S225-S250 VanDerWaalsContact OG-CB 3.32Å; S225-S250 WeakPolarHBondContact OG-CB 3.31Å; S225-S250 PolarHBondContact OG-N 3.12Å; S225-S250 PolarHBondContact OG-OG 2.9Å
251L93.5Very high94.3Very high34 Ų3438.7 Ų38.718%0.17820%0.201CC..  trans-109.6168.7173.9-60.4173.1000109.9V162 V223 D249 E255 V256 L259V162-L251 HydrophobicContact CG2-CD1 4.36Å; V223-L251 HydrophobicContact CG1-CD1 3.92Å; V223-L251 HydrophobicContact CG1-CG 4.11Å; D249-L251 PolarHBondContact O-N 2.97Å; L251-E255 HydrophobicContact CB-CB 3.78Å; L251-E255 HydrophobicContact CD1-CB 4.23Å; L251-V256 HydrophobicContact CB-CG2 4Å; L251-L259 HydrophobicContact CD1-CD1 3.33Å; L251-L259 HydrophobicContact CD1-CG 4.48Å
252T93Very high94.8Very high65 Ų6535.5 Ų35.540%0.39918%0.184SC..  trans-63.6155.7169.565.50000110.6K254 E255 V256T252-K254 PolarHBondContact O-N 3.33Å; T252-E255 WeakPolarHBondContact CB-OE2 3.19Å; T252-E255 WeakPolarHBondContact CG2-OE2 3.05Å; T252-E255 PolarHBondContact N-OE2 3.1Å; T252-E255 PolarHBondContact O-N 3.48Å; T252-E255 VanDerWaalsContact OG1-CD 3.25Å; T252-E255 VanDerWaalsContact OG1-CG 3.23Å; T252-E255 WeakPolarHBondContact OG1-CG 3.49Å; T252-E255 PolarHBondContact OG1-N 3.16Å; T252-E255 PolarHBondContact OG1-OE2 2.75Å; T252-V256 WeakPolarHBondContact O-CG2 3.18Å; T252-V256 PolarHBondContact O-N 3.34Å
253Q92.2Very high95.3Very high71 Ų7134 Ų3433%0.33217%0.168SC..Hα-helixtrans-55-41.4-180-177.8176.649.700112.1E255 V256 H257 E281Q253-E255 PolarHBondContact O-N 3.25Å; Q253-V256 WeakPolarHBondContact O-CB 3.45Å; Q253-V256 PolarHBondContact O-N 3.05Å; Q253-H257 WeakPolarHBondContact CG-CE1 3.24Å; Q253-H257 VanDerWaalsContact CG-NE2 3.32Å; Q253-H257 WeakPolarHBondContact CG-NE2 3.45Å; Q253-H257 PolarHBondContact O-CD2 3.48Å; Q253-H257 VanDerWaalsContact O-CG 3.23Å; Q253-H257 PolarHBondContact O-N 3.14Å; Q253-E281 PolarHBondContact NE2-OE1 3.44Å
254K93.8Very high95.7Very high70 Ų7028.3 Ų28.330%0.30414%0.144SC..Hα-helixtrans-56.9-49.4174.8172.3174.5-178.4145.20112.7D150 F154 T252 V256 H257 S258D150-K254 IonicContact OD1-NZ 2.7Å; D150-K254 PolarHBondContact OD1-NZ 3.37Å; D150-K254 WeakPolarHBondContact OD2-CD 3.39Å; D150-K254 WeakPolarHBondContact OD2-CE 3.49Å; D150-K254 VanDerWaalsContact OD2-CG 3.24Å; D150-K254 WeakPolarHBondContact OD2-CG 3.39Å; D150-K254 IonicContact OD2-NZ 2.96Å; D150-K254 PolarHBondContact OD2-NZ 3.12Å; F154-K254 VanDerWaalsContact CE2-CE 3.42Å; F154-K254 VanDerWaalsContact CG-CE 3.44Å; T252-K254 PolarHBondContact O-N 3.33Å; K254-V256 VanDerWaalsContact C-N 3.35Å; K254-H257 PolarHBondContact O-N 3.5Å; K254-S258 PolarHBondContact O-N 2.95Å; K254-S258 PolarHBondContact O-OG 3.49Å
255E96.5Very high95.9Very high58 Ų5826.6 Ų26.627%0.27114%0.135SC..Hα-helixtrans-64.2-40.9178.2-70.5166.6134.500111.6I158 L251 T252 Q253 S258 L259I158-E255 HydrophobicContact CD1-CG 3.73Å; I158-E255 HydrophobicContact CG1-CG 4.16Å; I158-E255 HydrophobicContact CG2-CB 4.02Å; I158-E255 HydrophobicContact CG2-CG 4.26Å; L251-E255 HydrophobicContact CB-CB 3.78Å; L251-E255 HydrophobicContact CD1-CB 4.23Å; T252-E255 WeakPolarHBondContact CB-OE2 3.19Å; T252-E255 WeakPolarHBondContact CG2-OE2 3.05Å; T252-E255 PolarHBondContact N-OE2 3.1Å; T252-E255 PolarHBondContact O-N 3.48Å; T252-E255 VanDerWaalsContact OG1-CD 3.25Å; T252-E255 VanDerWaalsContact OG1-CG 3.23Å; T252-E255 WeakPolarHBondContact OG1-CG 3.49Å; T252-E255 PolarHBondContact OG1-N 3.16Å; T252-E255 PolarHBondContact OG1-OE2 2.75Å; Q253-E255 PolarHBondContact O-N 3.25Å; E255-S258 PolarHBondContact O-N 3.06Å; E255-L259 WeakPolarHBondContact O-CG 3.44Å; E255-L259 PolarHBondContact O-N 2.88Å
256V96.9Very high96Very high14 Ų1426.6 Ų26.69%0.08514%0.135CC..Hα-helixtrans-59.1-47174.1171.30000110.8V177 V223 L251 T252 Q253 K254 S258 L259 I260V177-V256 HydrophobicContact CG1-CG1 3.67Å; V177-V256 HydrophobicContact CG2-CG1 4.33Å; V223-V256 HydrophobicContact CG1-CG2 4.23Å; L251-V256 HydrophobicContact CB-CG2 4Å; T252-V256 WeakPolarHBondContact O-CG2 3.18Å; T252-V256 PolarHBondContact O-N 3.34Å; Q253-V256 WeakPolarHBondContact O-CB 3.45Å; Q253-V256 PolarHBondContact O-N 3.05Å; K254-V256 VanDerWaalsContact C-N 3.35Å; V256-S258 PolarHBondContact O-N 3.24Å; V256-L259 PolarHBondContact O-N 3.34Å; V256-I260 HydrophobicContact CG1-CD1 3.71Å; V256-I260 HydrophobicContact CG1-CG1 4.26Å; V256-I260 WeakPolarHBondContact O-CG1 3.31Å; V256-I260 PolarHBondContact O-N 2.96Å
257H97.9Very high96Very high7 Ų726.5 Ų26.53%0.03214%0.135CC..Hα-helixtrans-61.8-44.1178.6-65.6170.9000112.1R145 A151 Q253 K254 L259 I260 L261 E281 L285R145-H257 PolarHBondContact O-CE1 2.99Å; A151-H257 HydrophobicContact CB-CB 3.84Å; Q253-H257 WeakPolarHBondContact CG-CE1 3.24Å; Q253-H257 VanDerWaalsContact CG-NE2 3.32Å; Q253-H257 WeakPolarHBondContact CG-NE2 3.45Å; Q253-H257 PolarHBondContact O-CD2 3.48Å; Q253-H257 VanDerWaalsContact O-CG 3.23Å; Q253-H257 PolarHBondContact O-N 3.14Å; K254-H257 PolarHBondContact O-N 3.5Å; H257-L259 VanDerWaalsContact C-N 3.31Å; H257-L259 PolarHBondContact O-N 2.97Å; H257-I260 PolarHBondContact O-N 2.74Å; H257-L261 VanDerWaalsContact O-CB 3.28Å; H257-L261 WeakPolarHBondContact O-CB 3.11Å; H257-L261 PolarHBondContact O-N 3.24Å; H257-E281 IonicContact CD2-OE1 3.75Å; H257-E281 IonicContact CE1-OE1 2.73Å; H257-E281 IonicContact NE2-OE1 3.91Å; H257-E281 PolarHBondContact NE2-OE1 3.13Å; H257-E281 IonicContact NE2-OE2 2.68Å; H257-L285 HydrophobicContact CB-CD1 3.87Å; H257-L285 HydrophobicContact CB-CD2 4.35Å
258S98Very high96.2Very high0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-60.5-37.7174.9-73.30000113A151 K254 E255 V256 S262A151-S258 PolarHBondContact O-OG 3.06Å; K254-S258 PolarHBondContact O-N 2.95Å; K254-S258 PolarHBondContact O-OG 3.49Å; E255-S258 PolarHBondContact O-N 3.06Å; V256-S258 PolarHBondContact O-N 3.24Å; S258-S262 PolarHBondContact O-N 2.88Å; S258-S262 PolarHBondContact O-OG 2.79Å
259L97.8Very high96.3Very high1 Ų124.6 Ų24.61%0.00513%0.128CC..Hα-helixtrans-71.3-45.2174.9-74.2178.8000112.6I158 L159 V162 F173 L221 V223 L251 E255 V256 H257 L261 S262 S263I158-L259 HydrophobicContact CG2-CD2 4.18Å; I158-L259 HydrophobicContact CG2-CG 3.97Å; L159-L259 HydrophobicContact CD1-CD2 4.35Å; V162-L259 HydrophobicContact CB-CD2 4.34Å; V162-L259 HydrophobicContact CG2-CD1 4.16Å; V162-L259 HydrophobicContact CG2-CD2 4.1Å; F173-L259 WeakPolarHBondContact CZ-O 3.49Å; L221-L259 HydrophobicContact CD2-CD1 4.27Å; V223-L259 HydrophobicContact CG2-CD1 4.05Å; L251-L259 HydrophobicContact CD1-CD1 3.33Å; L251-L259 HydrophobicContact CD1-CG 4.48Å; E255-L259 WeakPolarHBondContact O-CG 3.44Å; E255-L259 PolarHBondContact O-N 2.88Å; V256-L259 PolarHBondContact O-N 3.34Å; H257-L259 VanDerWaalsContact C-N 3.31Å; H257-L259 PolarHBondContact O-N 2.97Å; L259-L261 VanDerWaalsContact C-N 3.28Å; L259-L261 PolarHBondContact O-N 2.85Å; L259-S262 CarbonylContact O-C 3.56Å; L259-S262 WeakPolarHBondContact O-CA 3.27Å; L259-S262 WeakPolarHBondContact O-CB 3.38Å; L259-S262 PolarHBondContact O-N 2.84Å; L259-S263 PolarHBondContact O-N 3.23Å; L259-S263 VanDerWaalsContact O-N 3.07Å
260I98.4Very high96.5Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-55.3-49.3175.6-71.9171.9000109.3V175 V177 V256 H257 S262 S263 L266 A282 L285 V287V175-I260 HydrophobicContact CG1-CG1 4.23Å; V177-I260 HydrophobicContact CG2-CD1 4.2Å; V177-I260 HydrophobicContact CG2-CG1 4.08Å; V256-I260 HydrophobicContact CG1-CD1 3.71Å; V256-I260 HydrophobicContact CG1-CG1 4.26Å; V256-I260 WeakPolarHBondContact O-CG1 3.31Å; V256-I260 PolarHBondContact O-N 2.96Å; H257-I260 PolarHBondContact O-N 2.74Å; I260-S262 PolarHBondContact O-N 3.23Å; I260-S262 VanDerWaalsContact O-N 3.14Å; I260-S263 WeakPolarHBondContact O-CB 3.49Å; I260-S263 PolarHBondContact O-N 3.1Å; I260-S263 PolarHBondContact O-OG 3.36Å; I260-L266 HydrophobicContact CD1-CD1 3.91Å; I260-L266 HydrophobicContact CG1-CD1 4.13Å; I260-A282 HydrophobicContact CG2-CB 3.78Å; I260-L285 HydrophobicContact CB-CD1 3.95Å; I260-L285 HydrophobicContact CG2-CD1 3.72Å; I260-V287 HydrophobicContact CG2-CB 4.02Å; I260-V287 HydrophobicContact CG2-CG1 4.16Å; I260-V287 HydrophobicContact CG2-CG2 3.94Å; I260-V287 WeakPolarHBondContact O-CG2 3.44Å
261L97.7Very high96.7Very high24 Ų2424.1 Ų24.113%0.12612%0.123CC..Hα-helixtrans-61.3-23.3178.4-169.462.2000113.5A151 N152 K155 H257 L259 L285 V287A151-L261 HydrophobicContact CB-CD2 4.19Å; N152-L261 HydrophobicContact CB-CD2 4.28Å; N152-L261 WeakPolarHBondContact OD1-CD2 3.1Å; K155-L261 HydrophobicContact CD-CD2 4.13Å; K155-L261 HydrophobicContact CD-CG 4.09Å; K155-L261 WeakPolarHBondContact CE-O 3.21Å; K155-L261 PolarHBondContact NZ-O 2.91Å; H257-L261 VanDerWaalsContact O-CB 3.28Å; H257-L261 WeakPolarHBondContact O-CB 3.11Å; H257-L261 PolarHBondContact O-N 3.24Å; L259-L261 VanDerWaalsContact C-N 3.28Å; L259-L261 PolarHBondContact O-N 2.85Å; L261-L285 HydrophobicContact CD1-CB 4.38Å; L261-L285 VanDerWaalsContact CD1-O 3.27Å; L261-L285 WeakPolarHBondContact CD1-O 3.39Å; L261-V287 HydrophobicContact CD1-CG2 4.46Å
262S97.7Very high96.7Very high7 Ų722.9 Ų22.95%0.04912%0.118CC..Hα-helixtrans-86.5-16.5174.9-59.80000113.5K155 Q171 S258 L259 I260K155-S262 VanDerWaalsContact CE-CA 3.48Å; K155-S262 VanDerWaalsContact CE-OG 3.25Å; K155-S262 WeakPolarHBondContact CE-OG 3.37Å; K155-S262 WeakPolarHBondContact CG-OG 3.39Å; Q171-S262 PolarHBondContact NE2-O 3.13Å; S258-S262 PolarHBondContact O-N 2.88Å; S258-S262 PolarHBondContact O-OG 2.79Å; L259-S262 CarbonylContact O-C 3.56Å; L259-S262 WeakPolarHBondContact O-CA 3.27Å; L259-S262 WeakPolarHBondContact O-CB 3.38Å; L259-S262 PolarHBondContact O-N 2.84Å; I260-S262 PolarHBondContact O-N 3.23Å; I260-S262 VanDerWaalsContact O-N 3.14Å
263S98.3Very high96.7Very high7 Ų720.6 Ų20.65%0.04910%0.102CC..SBendtrans-80.8162.9-177.776.10000112.6F173 V175 L259 I260F173-S263 CarbonylContact O-C 3.57Å; F173-S263 WeakPolarHBondContact O-CA 3.21Å; V175-S263 WeakPolarHBondContact CG1-OG 3.43Å; L259-S263 PolarHBondContact O-N 3.23Å; L259-S263 VanDerWaalsContact O-N 3.07Å; I260-S263 WeakPolarHBondContact O-CB 3.49Å; I260-S263 PolarHBondContact O-N 3.1Å; I260-S263 PolarHBondContact O-OG 3.36Å
264Q97.8Very high96.8Very high42 Ų4217.2 Ų17.220%0.1969%0.087CC..SBendtrans-79.5-35.5173.7-68.2-648.100113P172 F173 F174 Y218 P288 R330P172-Q264 HydrophobicContact CB-CG 3.95Å; F173-Q264 PolarHBondContact O-N 2.91Å; F174-Q264 HydrophobicContact CD1-CB 3.84Å; F174-Q264 HydrophobicContact CE1-CB 3.59Å; F174-Q264 HydrophobicContact CZ-CB 4.44Å; Y218-Q264 HydrophobicContact CE1-CG 4.06Å; Q264-P288 WeakPolarHBondContact O-CD 3.26Å; Q264-P288 WeakPolarHBondContact O-CG 3.38Å; Q264-R330 PolarHBondContact O-NH2 2.66Å
265A98.4Very high96.8Very high0 Ų014.3 Ų14.30%07%0.074CC..  trans-159.9154.1173.600000109.6F174 V175 P288 V290 L323F174-A265 HydrophobicContact CD1-CB 3.76Å; F174-A265 HydrophobicContact CE1-CB 4.03Å; V175-A265 PolarHBondContact N-O 3.04Å; V175-A265 VanDerWaalsContact N-O 3.07Å; A265-P288 VanDerWaalsContact CA-O 3.24Å; A265-P288 WeakPolarHBondContact CA-O 3.31Å; A265-P288 HydrophobicContact CB-CG 4.06Å; A265-P288 WeakPolarHBondContact CB-O 3.47Å; A265-V290 HydrophobicContact CB-CG2 4.39Å; A265-L323 HydrophobicContact CB-CD1 3.92Å
266L98.7Very high96.7Very high2 Ų211.9 Ų11.91%0.016%0.064CC..EExtended strand (participates in β ladder)trans-91.5129.4165.5179.4141.7000109.9V175 V177 I260 N268 A278 V279 A282 P288 V289 V290V175-L266 HydrophobicContact CG1-CB 4.13Å; V175-L266 HydrophobicContact CG1-CD1 4.35Å; V175-L266 HydrophobicContact CG1-CG 4.37Å; V175-L266 CarbonylContact O-C 3.59Å; V175-L266 WeakPolarHBondContact O-CA 3.1Å; V177-L266 HydrophobicContact CB-CD1 4.28Å; V177-L266 HydrophobicContact CG2-CD1 4.04Å; I260-L266 HydrophobicContact CD1-CD1 3.91Å; I260-L266 HydrophobicContact CG1-CD1 4.13Å; L266-N268 HydrophobicContact CD2-CB 4.41Å; L266-A278 HydrophobicContact CD1-CB 4.07Å; L266-V279 HydrophobicContact CD2-CG2 3.97Å; L266-A282 HydrophobicContact CB-CB 3.85Å; L266-A282 HydrophobicContact CD1-CB 4.02Å; L266-A282 HydrophobicContact CG-CB 4.36Å; L266-P288 PolarHBondContact N-O 3.16Å; L266-V289 HydrophobicContact CB-CG1 4.35Å; L266-V289 HydrophobicContact CD2-CG1 4.35Å; L266-V289 WeakPolarHBondContact O-CA 3.39Å; L266-V290 PolarHBondContact O-N 3.01Å
267I98.5Very high96.7Very high2 Ų212.6 Ų12.61%0.017%0.067CC..EExtended strand (participates in β ladder)trans-102.9122.1175.7-59.1171.2000108.7F174 V175 V176 L220 C269 V290 L316 L320F174-I267 HydrophobicContact CB-CD1 3.74Å; F174-I267 HydrophobicContact CB-CG1 4.34Å; F174-I267 HydrophobicContact CG-CD1 4.18Å; V175-I267 PolarHBondContact O-N 2.98Å; V176-I267 HydrophobicContact CG2-CB 3.94Å; V176-I267 HydrophobicContact CG2-CG2 4.33Å; L220-I267 HydrophobicContact CD1-CD1 4.19Å; I267-C269 HydrophobicContact CG2-CB 4.49Å; I267-V290 CarbonylContact C-O 3.56Å; I267-V290 WeakPolarHBondContact CA-O 3.4Å; I267-L316 HydrophobicContact CD1-CD1 4.42Å; I267-L316 HydrophobicContact CG2-CD1 4.22Å; I267-L316 HydrophobicContact CG2-CD2 4.32Å; I267-L320 HydrophobicContact CD1-CD1 4.41Å; I267-L320 HydrophobicContact CD1-CD2 4.03Å; I267-L320 HydrophobicContact CG1-CD2 4.3Å
268N98Very high96.6Very high11 Ų1112.8 Ų12.86%0.0597%0.07CC..EExtended strand (participates in β ladder)trans-109.3102.6167.8-173.8-44.7000109.7L266 S270 E273 S276 V279 V290 V291 R292 N297L266-N268 HydrophobicContact CD2-CB 4.41Å; N268-S270 VanDerWaalsContact OD1-CB 3.24Å; N268-S270 WeakPolarHBondContact OD1-CB 3.24Å; N268-S270 PolarHBondContact OD1-N 2.81Å; N268-S270 PolarHBondContact OD1-OG 2.84Å; N268-E273 PolarHBondContact ND2-OE1 3.38Å; N268-S276 WeakPolarHBondContact ND2-CB 3.41Å; N268-S276 PolarHBondContact ND2-OG 2.78Å; N268-V279 HydrophobicContact CB-CG2 3.75Å; N268-V290 PolarHBondContact N-O 2.8Å; N268-V291 HydrophobicContact CB-CB 4.31Å; N268-V291 HydrophobicContact CB-CG1 3.96Å; N268-V291 CarbonylContact O-C 3.57Å; N268-V291 WeakPolarHBondContact O-CA 3.4Å; N268-R292 PolarHBondContact O-N 2.91Å; N268-N297 PolarHBondContact OD1-ND2 3.24Å
269C96.3Very high96.6Very high3 Ų312.8 Ų12.82%0.027%0.07CC..  trans-95.817.2-178.657.80000114.2K184 D185 F188 A189 I267 R292 F310K184-C269 CarbonylContact O-C 3.55Å; K184-C269 PolarHBondContact O-SG 3.39Å; D185-C269 PolarHBondContact O-SG 3.42Å; D185-C269 VanDerWaalsContact O-SG 3.37Å; F188-C269 HydrophobicContact CD1-CB 4.44Å; A189-C269 HydrophobicContact CB-CB 3.9Å; I267-C269 HydrophobicContact CG2-CB 4.49Å; C269-R292 PolarHBondContact O-NE 3.5Å; C269-R292 PolarHBondContact O-NH2 3.47Å; C269-F310 HydrophobicContact CB-CZ 4.29Å
270S96Very high96.6Very high3 Ų312.7 Ų12.72%0.0217%0.069CC..  trans-64.5137.9-174.5-49.60000112.9V183 K184 N268 S272 E273 N294V183-S270 CarbonylContact O-C 3.58Å; V183-S270 WeakPolarHBondContact O-CA 3.5Å; K184-S270 WeakPolarHBondContact CD-OG 3.47Å; K184-S270 PolarHBondContact NZ-OG 2.74Å; N268-S270 VanDerWaalsContact OD1-CB 3.24Å; N268-S270 WeakPolarHBondContact OD1-CB 3.24Å; N268-S270 PolarHBondContact OD1-N 2.81Å; N268-S270 PolarHBondContact OD1-OG 2.84Å; S270-S272 VanDerWaalsContact C-N 3.34Å; S270-E273 PolarHBondContact OG-OE1 3.2Å; S270-N294 PolarHBondContact O-ND2 2.64Å
271I94.7Very high96.5Very high85 Ų8513.5 Ų13.544%0.4367%0.073SC..SBendtrans-66.2-39.7169.6-64.8168.6000110.3V183 D185 N294V183-I271 HydrophobicContact CG2-CB 4.33Å; V183-I271 PolarHBondContact O-N 3.46Å; D185-I271 HydrophobicContact CB-CD1 3.87Å; D185-I271 HydrophobicContact CB-CG1 3.87Å; I271-N294 WeakPolarHBondContact O-CB 3.47Å
272S94.2Very high96.6Very high9 Ų912.4 Ų12.46%0.0637%0.067CC..  trans-140.9136.5177.2-172.80000110.9S270S270-S272 VanDerWaalsContact C-N 3.34Å
273E92.3Very high96.6Very high16 Ų1612.1 Ų12.18%0.0757%0.065CC..  trans-132.8142.5173.4-78.6-79.5-151.200109.8Y93 K184 N268 S270 S276 G296Y93-E273 VanDerWaalsContact CE2-O 3.24Å; Y93-E273 WeakPolarHBondContact CE2-O 3.43Å; K184-E273 IonicContact NZ-OE1 3.76Å; K184-E273 PolarHBondContact NZ-OE1 2.89Å; K184-E273 IonicContact NZ-OE2 2.88Å; K184-E273 PolarHBondContact NZ-OE2 2.87Å; N268-E273 PolarHBondContact ND2-OE1 3.38Å; S270-E273 PolarHBondContact OG-OE1 3.2Å; E273-S276 WeakPolarHBondContact OE1-CB 3.26Å; E273-S276 PolarHBondContact OE1-OG 2.94Å; E273-G296 WeakPolarHBondContact O-CA 3.45Å
274G94.2Very high96.6Very high1 Ų113 Ų131%0.017%0.071CC..SBendtrans-73.8-71.5162.900000109.2T88 N119 G296T88-G274 WeakPolarHBondContact O-CA 3.19Å; N119-G274 PolarHBondContact ND2-O 2.83Å; G274-G296 WeakPolarHBondContact O-CA 3.35Å
275Q94.8Very high96.6Very high8 Ų811.4 Ų11.44%0.0376%0.064CC..  trans-154.3123.2169.8-174.9176.572.400107.3L118 H141 Q142 L277 M280 L300L118-Q275 HydrophobicContact CB-CB 4Å; L118-Q275 HydrophobicContact CD1-CB 4.24Å; L118-Q275 PolarHBondContact O-NE2 3.31Å; H141-Q275 PolarHBondContact ND1-NE2 3.05Å; Q142-Q275 VanDerWaalsContact CB-OE1 3.27Å; Q142-Q275 PolarHBondContact NE2-O 3.43Å; Q275-L277 PolarHBondContact O-N 3.41Å; Q275-M280 HydrophobicContact CG-SD 3.67Å; Q275-L300 HydrophobicContact CG-CD1 3.94Å; Q275-L300 HydrophobicContact CG-CD2 4.1Å; Q275-L300 HydrophobicContact CG-CG 4.22Å
276S95.2Very high96.5Very high8 Ų812.3 Ų12.36%0.0567%0.073CC..  trans-87.1110.9-167.7-168.80000111.6N268 E273 A278 V279 M280N268-S276 WeakPolarHBondContact ND2-CB 3.41Å; N268-S276 PolarHBondContact ND2-OG 2.78Å; E273-S276 WeakPolarHBondContact OE1-CB 3.26Å; E273-S276 PolarHBondContact OE1-OG 2.94Å; S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 3.05Å; S276-V279 PolarHBondContact O-N 3.1Å; S276-M280 VanDerWaalsContact O-CG 3.32Å; S276-M280 WeakPolarHBondContact O-CG 3.38Å; S276-M280 PolarHBondContact O-N 2.9Å; S276-M280 VanDerWaalsContact O-N 3.12Å
277L95Very high96.5Very high28 Ų2812.5 Ų12.515%0.1478%0.075CC..Hα-helixtrans-57.1-43.1175.4-73.5174.5000111.6Q142 Q275 V279 M280 E281Q142-L277 HydrophobicContact CB-CD2 3.92Å; Q142-L277 HydrophobicContact CG-CD2 4.39Å; Q275-L277 PolarHBondContact O-N 3.41Å; L277-V279 VanDerWaalsContact C-N 3.29Å; L277-V279 PolarHBondContact O-N 2.9Å; L277-M280 WeakPolarHBondContact O-CB 3.49Å; L277-M280 PolarHBondContact O-N 3.2Å; L277-M280 VanDerWaalsContact O-N 3.1Å; L277-E281 WeakPolarHBondContact O-CB 3.08Å; L277-E281 VanDerWaalsContact O-CG 3.23Å; L277-E281 WeakPolarHBondContact O-CG 3.49Å; L277-E281 PolarHBondContact O-N 3.4Å
278A96Very high96.5Very high11 Ų1112.6 Ų12.69%0.0918%0.075CC..Hα-helixtrans-61.2-37-179.900000112.7V177 L266 S276 A282V177-A278 HydrophobicContact CB-CB 4.05Å; V177-A278 HydrophobicContact CG1-CB 4.16Å; L266-A278 HydrophobicContact CD1-CB 4.07Å; S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 3.05Å; A278-A282 WeakPolarHBondContact O-CB 3.48Å; A278-A282 PolarHBondContact O-N 3.4Å
279V98Very high96.6Very high0 Ų012.1 Ų12.10%07%0.073CC..Hα-helixtrans-65.6-47.6174173.40000110.2L266 N268 S276 L277 E281 A282 M283 V289 V291 L300 I301L266-V279 HydrophobicContact CD2-CG2 3.97Å; N268-V279 HydrophobicContact CB-CG2 3.75Å; S276-V279 PolarHBondContact O-N 3.1Å; L277-V279 VanDerWaalsContact C-N 3.29Å; L277-V279 PolarHBondContact O-N 2.9Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 3.43Å; V279-A282 PolarHBondContact O-N 3.21Å; V279-M283 HydrophobicContact CG1-SD 4.02Å; V279-M283 VanDerWaalsContact O-CG 3.24Å; V279-M283 WeakPolarHBondContact O-CG 3.44Å; V279-M283 PolarHBondContact O-N 3.13Å; V279-V289 HydrophobicContact CG1-CB 4.29Å; V279-V289 HydrophobicContact CG1-CG1 4.2Å; V279-V289 HydrophobicContact CG1-CG2 4.15Å; V279-V291 HydrophobicContact CG1-CG1 4.33Å; V279-V291 HydrophobicContact CG2-CG1 4.02Å; V279-L300 HydrophobicContact CB-CD1 4.45Å; V279-L300 HydrophobicContact CG1-CD1 4.22Å; V279-I301 HydrophobicContact CG1-CD1 3.96Å; V279-I301 HydrophobicContact CG1-CG1 4.32Å
280M97.7Very high96.7Very high0 Ų012 Ų120%07%0.072CC..Hα-helixtrans-62.7-40.4179.6-62.5169.367.700112.2Q142 I144 Q275 S276 L277 M283 S284 L300 I341 F346Q142-M280 HydrophobicContact CB-CE 4.21Å; Q142-M280 HydrophobicContact CB-SD 4.34Å; Q142-M280 WeakPolarHBondContact O-CE 3.29Å; I144-M280 HydrophobicContact CD1-CB 3.74Å; I144-M280 HydrophobicContact CD1-CE 3.77Å; I144-M280 HydrophobicContact CG1-CB 3.86Å; I144-M280 HydrophobicContact CG1-CE 3.5Å; Q275-M280 HydrophobicContact CG-SD 3.67Å; S276-M280 VanDerWaalsContact O-CG 3.32Å; S276-M280 WeakPolarHBondContact O-CG 3.38Å; S276-M280 PolarHBondContact O-N 2.9Å; S276-M280 VanDerWaalsContact O-N 3.12Å; L277-M280 WeakPolarHBondContact O-CB 3.49Å; L277-M280 PolarHBondContact O-N 3.2Å; L277-M280 VanDerWaalsContact O-N 3.1Å; M280-M283 PolarHBondContact O-N 3.42Å; M280-S284 WeakPolarHBondContact O-CB 3.43Å; M280-S284 PolarHBondContact O-N 2.88Å; M280-L300 HydrophobicContact CG-CD1 3.73Å; M280-L300 HydrophobicContact CG-CD2 4.05Å; M280-L300 HydrophobicContact SD-CD1 4.31Å; M280-L300 HydrophobicContact SD-CD2 4.36Å; M280-I341 HydrophobicContact CB-CD1 4.07Å; M280-I341 HydrophobicContact CE-CD1 4.42Å; M280-I341 HydrophobicContact CG-CD1 4.04Å; M280-F346 HydrophobicContact CE-CB 4.45Å; M280-F346 HydrophobicContact CE-CD1 3.43Å; M280-F346 VanDerWaalsContact CE-CD1 3.43Å; M280-F346 HydrophobicContact CE-CE1 4Å; M280-F346 HydrophobicContact CE-CG 4.23Å
281E97.6Very high96.8Very high17 Ų1711.9 Ų11.98%0.0797%0.071CC..Hα-helixtrans-64.4-44.6175.5-70.4170.6143.800111.3V146 Q253 H257 L277 V279 S284 L285V146-E281 HydrophobicContact CG2-CB 4Å; V146-E281 HydrophobicContact CG2-CG 3.93Å; Q253-E281 PolarHBondContact NE2-OE1 3.44Å; H257-E281 IonicContact CD2-OE1 3.75Å; H257-E281 IonicContact CE1-OE1 2.73Å; H257-E281 IonicContact NE2-OE1 3.91Å; H257-E281 PolarHBondContact NE2-OE1 3.13Å; H257-E281 IonicContact NE2-OE2 2.68Å; L277-E281 WeakPolarHBondContact O-CB 3.08Å; L277-E281 VanDerWaalsContact O-CG 3.23Å; L277-E281 WeakPolarHBondContact O-CG 3.49Å; L277-E281 PolarHBondContact O-N 3.4Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 3.43Å; E281-S284 PolarHBondContact O-N 3.01Å; E281-L285 WeakPolarHBondContact O-CB 3.31Å; E281-L285 VanDerWaalsContact O-CG 3.27Å; E281-L285 WeakPolarHBondContact O-CG 3.4Å; E281-L285 PolarHBondContact O-N 3.19Å
282A98.4Very high97Very high0 Ų09.2 Ų9.20%06%0.056CC..Hα-helixtrans-62.4-42.817600000112.7I260 L266 A278 V279 S284 L285 G286 V287 V289I260-A282 HydrophobicContact CG2-CB 3.78Å; L266-A282 HydrophobicContact CB-CB 3.85Å; L266-A282 HydrophobicContact CD1-CB 4.02Å; L266-A282 HydrophobicContact CG-CB 4.36Å; A278-A282 WeakPolarHBondContact O-CB 3.48Å; A278-A282 PolarHBondContact O-N 3.4Å; V279-A282 PolarHBondContact O-N 3.21Å; A282-S284 VanDerWaalsContact C-N 3.31Å; A282-S284 PolarHBondContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 3.26Å; A282-G286 PolarHBondContact O-N 3.29Å; A282-V287 CarbonylContact C-O 3.6Å; A282-V287 HydrophobicContact CB-CB 4.32Å; A282-V287 PolarHBondContact O-N 3.09Å; A282-V289 HydrophobicContact CB-CG1 3.56Å
283M98.4Very high97.1Very high1 Ų113.1 Ų13.11%0.0057%0.073CC..Hα-helixtrans-58.6-43.8173.6-66.6171.574.300111.3V279 M280 L285 G286 V289 I301 N306 A337 E338 F340 I341V279-M283 HydrophobicContact CG1-SD 4.02Å; V279-M283 VanDerWaalsContact O-CG 3.24Å; V279-M283 WeakPolarHBondContact O-CG 3.44Å; V279-M283 PolarHBondContact O-N 3.13Å; M280-M283 PolarHBondContact O-N 3.42Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 3.12Å; M283-G286 PolarHBondContact O-N 3.36Å; M283-V289 HydrophobicContact CG-CG1 4.13Å; M283-V289 HydrophobicContact CG-CG2 4.07Å; M283-I301 HydrophobicContact CE-CD1 4.12Å; M283-I301 HydrophobicContact SD-CD1 3.68Å; M283-N306 HydrophobicContact CE-CB 4.46Å; M283-A337 HydrophobicContact CB-CB 4.01Å; M283-A337 HydrophobicContact CE-CB 3.77Å; M283-A337 HydrophobicContact CG-CB 3.96Å; M283-E338 WeakPolarHBondContact O-CG 3.47Å; M283-F340 HydrophobicContact CE-CD1 3.64Å; M283-F340 HydrophobicContact CE-CE1 4.33Å; M283-F340 HydrophobicContact CE-CG 4.49Å; M283-I341 HydrophobicContact CB-CB 4.22Å; M283-I341 HydrophobicContact CB-CG1 4.32Å; M283-I341 HydrophobicContact CB-CG2 4.23Å; M283-I341 HydrophobicContact CE-CB 4.42Å; M283-I341 HydrophobicContact CE-CD1 4.33Å; M283-I341 HydrophobicContact SD-CD1 4.19Å
284S97.6Very high97.3Very high26 Ų2612.8 Ų12.818%0.1827%0.071CC..Hα-helixtrans-70.6-25.2178.6-175.90000113.8I148 M280 E281 A282 G286I148-S284 VanDerWaalsContact CD1-O 3.29Å; I148-S284 WeakPolarHBondContact CD1-O 3.38Å; M280-S284 WeakPolarHBondContact O-CB 3.43Å; M280-S284 PolarHBondContact O-N 2.88Å; E281-S284 PolarHBondContact O-N 3.01Å; A282-S284 VanDerWaalsContact C-N 3.31Å; A282-S284 PolarHBondContact O-N 3.12Å; S284-G286 VanDerWaalsContact C-N 3.3Å
285L98.1Very high97.4Very high8 Ų815.8 Ų15.84%0.0429%0.091CC..THydrogen-bonded Turntrans-84.6-1.8176.8-75.2165.5000113.1V146 I148 A151 H257 I260 L261 E281 A282 M283 V287V146-L285 HydrophobicContact CG1-CD2 3.48Å; V146-L285 VanDerWaalsContact CG1-CD2 3.48Å; V146-L285 HydrophobicContact CG1-CG 3.73Å; I148-L285 HydrophobicContact CG1-CD2 4.48Å; A151-L285 HydrophobicContact CB-CD2 3.84Å; H257-L285 HydrophobicContact CB-CD1 3.87Å; H257-L285 HydrophobicContact CB-CD2 4.35Å; I260-L285 HydrophobicContact CB-CD1 3.95Å; I260-L285 HydrophobicContact CG2-CD1 3.72Å; L261-L285 HydrophobicContact CD1-CB 4.38Å; L261-L285 VanDerWaalsContact CD1-O 3.27Å; L261-L285 WeakPolarHBondContact CD1-O 3.39Å; E281-L285 WeakPolarHBondContact O-CB 3.31Å; E281-L285 VanDerWaalsContact O-CG 3.27Å; E281-L285 WeakPolarHBondContact O-CG 3.4Å; E281-L285 PolarHBondContact O-N 3.19Å; A282-L285 PolarHBondContact O-N 3.26Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 3.12Å; L285-V287 HydrophobicContact CB-CG2 4.25Å
286G97.9Very high97.5Very high19 Ų1915.4 Ų15.420%0.1969%0.089CC..THydrogen-bonded Turntrans74.628.7-176.400000113.7A282 M283 S284 I334 E338A282-G286 PolarHBondContact O-N 3.29Å; M283-G286 PolarHBondContact O-N 3.36Å; S284-G286 VanDerWaalsContact C-N 3.3Å; G286-I334 WeakPolarHBondContact O-CD1 3.29Å; G286-E338 WeakPolarHBondContact CA-OE1 3.32Å
287V98.5Very high97.6Very high7 Ų715 Ų154%0.0429%0.086CC..  trans-108.8127.2-179.9178.80000109.4I260 L261 A282 L285I260-V287 HydrophobicContact CG2-CB 4.02Å; I260-V287 HydrophobicContact CG2-CG1 4.16Å; I260-V287 HydrophobicContact CG2-CG2 3.94Å; I260-V287 WeakPolarHBondContact O-CG2 3.44Å; L261-V287 HydrophobicContact CD1-CG2 4.46Å; A282-V287 CarbonylContact C-O 3.6Å; A282-V287 HydrophobicContact CB-CB 4.32Å; A282-V287 PolarHBondContact O-N 3.09Å; L285-V287 HydrophobicContact CB-CG2 4.25Å
288P98.4Very high97.7Very high3 Ų315.4 Ų15.42%0.0199%0.091CC..  trans-66145.4-178.429.3-34.3000110.6Q264 A265 L266 L323 R330 I334Q264-P288 WeakPolarHBondContact O-CD 3.26Å; Q264-P288 WeakPolarHBondContact O-CG 3.38Å; A265-P288 VanDerWaalsContact CA-O 3.24Å; A265-P288 WeakPolarHBondContact CA-O 3.31Å; A265-P288 HydrophobicContact CB-CG 4.06Å; A265-P288 WeakPolarHBondContact CB-O 3.47Å; L266-P288 PolarHBondContact N-O 3.16Å; P288-L323 HydrophobicContact CB-CD1 3.95Å; P288-L323 HydrophobicContact CB-CD2 3.9Å; P288-L323 HydrophobicContact CG-CD1 4.06Å; P288-L323 HydrophobicContact CG-CD2 4.4Å; P288-R330 HydrophobicContact CG-CG 4.36Å; P288-I334 HydrophobicContact CB-CG1 4.35Å
289V98.7Very high97.7Very high2 Ų216.1 Ų16.11%0.0129%0.093CC..EExtended strand (participates in β ladder)trans-115.3135.5-178.1-62.80000110.6L266 V279 A282 M283 V291 I301 L308L266-V289 HydrophobicContact CB-CG1 4.35Å; L266-V289 HydrophobicContact CD2-CG1 4.35Å; L266-V289 WeakPolarHBondContact O-CA 3.39Å; V279-V289 HydrophobicContact CG1-CB 4.29Å; V279-V289 HydrophobicContact CG1-CG1 4.2Å; V279-V289 HydrophobicContact CG1-CG2 4.15Å; A282-V289 HydrophobicContact CB-CG1 3.56Å; M283-V289 HydrophobicContact CG-CG1 4.13Å; M283-V289 HydrophobicContact CG-CG2 4.07Å; V289-V291 HydrophobicContact CB-CG1 4.34Å; V289-I301 HydrophobicContact CG2-CD1 3.46Å; V289-I301 VanDerWaalsContact CG2-CD1 3.46Å; V289-I301 HydrophobicContact CG2-CG1 4.23Å; V289-L308 PolarHBondContact O-N 3.41Å
290V98.7Very high97.7Very high0 Ų016.1 Ų16.10%09%0.093CC..EExtended strand (participates in β ladder)trans-121114.7176.6-176.20000107.6A265 L266 I267 N268 L308 F310 L316 C319 L320 L323A265-V290 HydrophobicContact CB-CG2 4.39Å; L266-V290 PolarHBondContact O-N 3.01Å; I267-V290 CarbonylContact C-O 3.56Å; I267-V290 WeakPolarHBondContact CA-O 3.4Å; N268-V290 PolarHBondContact N-O 2.8Å; V290-L308 WeakPolarHBondContact CA-O 3.47Å; V290-L308 HydrophobicContact CG1-CB 4.48Å; V290-L308 HydrophobicContact CG2-CB 4.36Å; V290-L308 HydrophobicContact CG2-CD1 4.42Å; V290-F310 HydrophobicContact CG1-CD1 3.57Å; V290-F310 HydrophobicContact CG1-CE1 3.9Å; V290-L316 HydrophobicContact CB-CD1 4.47Å; V290-L316 HydrophobicContact CG1-CD1 3.53Å; V290-C319 HydrophobicContact CG1-CB 3.63Å; V290-C319 HydrophobicContact CG2-CB 4.39Å; V290-L320 HydrophobicContact CG2-CD2 4.36Å; V290-L323 HydrophobicContact CG2-CD1 3.54Å
291V98.6Very high97.7Very high0 Ų016.2 Ų16.20%09%0.094CC..EExtended strand (participates in β ladder)trans-125.2142.1-166.7-540000112.3N268 V279 V289 N297 I301 L308 V309 F310N268-V291 HydrophobicContact CB-CB 4.31Å; N268-V291 HydrophobicContact CB-CG1 3.96Å; N268-V291 CarbonylContact O-C 3.57Å; N268-V291 WeakPolarHBondContact O-CA 3.4Å; V279-V291 HydrophobicContact CG1-CG1 4.33Å; V279-V291 HydrophobicContact CG2-CG1 4.02Å; V289-V291 HydrophobicContact CB-CG1 4.34Å; V291-N297 HydrophobicContact CB-CB 4.07Å; V291-N297 HydrophobicContact CG2-CB 3.87Å; V291-I301 HydrophobicContact CG1-CG1 4.06Å; V291-I301 HydrophobicContact CG2-CB 3.92Å; V291-I301 HydrophobicContact CG2-CG1 3.75Å; V291-I301 HydrophobicContact CG2-CG2 4.14Å; V291-L308 PolarHBondContact N-O 2.95Å; V291-V309 HydrophobicContact CG2-CG2 4.04Å; V291-V309 VanDerWaalsContact O-CA 3.32Å; V291-V309 WeakPolarHBondContact O-CA 3.02Å; V291-F310 WeakPolarHBondContact O-CD1 3.48Å; V291-F310 WeakPolarHBondContact O-CE1 3.47Å; V291-F310 PolarHBondContact O-N 3.43Å
292R98.1Very high97.7Very high30 Ų3020.3 Ų20.311%0.11311%0.111CC..EExtended strand (participates in β ladder)trans-67.4138.8170.9-170.2-178.8-61.4-167.414.8109.1D185 N268 C269 N294 N297 F310D185-R292 IonicContact OD2-CZ 2.75Å; D185-R292 IonicContact OD2-NH1 3.79Å; D185-R292 PolarHBondContact OD2-NH1 3.21Å; D185-R292 IonicContact OD2-NH2 3.86Å; D185-R292 PolarHBondContact OD2-NH2 3.47Å; N268-R292 PolarHBondContact O-N 2.91Å; C269-R292 PolarHBondContact O-NE 3.5Å; C269-R292 PolarHBondContact O-NH2 3.47Å; R292-N294 PolarHBondContact O-N 2.9Å; R292-N294 VanDerWaalsContact O-N 3.1Å; R292-N297 WeakPolarHBondContact O-CB 3.23Å; R292-N297 PolarHBondContact O-ND2 3.09Å; R292-F310 CarbonylContact C-O 3.51Å; R292-F310 WeakPolarHBondContact CA-O 3.43Å; R292-F310 HydrophobicContact CB-CD2 4.35Å; R292-F310 HydrophobicContact CB-CE1 4.34Å; R292-F310 HydrophobicContact CB-CE2 3.63Å; R292-F310 HydrophobicContact CB-CZ 3.67Å; R292-F310 HydrophobicContact CG-CD2 4.41Å; R292-F310 HydrophobicContact CG-CE2 3.92Å; R292-F310 HydrophobicContact CG-CZ 4.46Å
293E98Very high97.7Very high90 Ų9023.9 Ų23.942%0.42113%0.13SC..  trans-58.7114.2172.1-178.6171.3-111.900110.7V309 F310 R311E293-V309 HydrophobicContact CB-CG1 3.74Å; E293-V309 HydrophobicContact CG-CG1 4.42Å; E293-F310 PolarHBondContact N-O 3.19Å; E293-R311 HydrophobicContact CB-CG 3.94Å; E293-R311 VanDerWaalsContact CD-NE 3.26Å; E293-R311 IonicContact OE1-CZ 3.17Å; E293-R311 IonicContact OE1-NE 2.98Å; E293-R311 PolarHBondContact OE1-NE 2.91Å; E293-R311 IonicContact OE1-NH2 2.8Å; E293-R311 PolarHBondContact OE1-NH2 3.35Å; E293-R311 WeakPolarHBondContact OE2-CD 3.39Å; E293-R311 IonicContact OE2-CZ 2.73Å; E293-R311 IonicContact OE2-NE 2.6Å; E293-R311 PolarHBondContact OE2-NE 3.07Å; E293-R311 IonicContact OE2-NH2 3.67Å
294N96.3Very high97.7Very high9 Ų930.3 Ų30.35%0.04816%0.155CC..  trans-155.8163.4164.76862000108.5S270 I271 R292 G296 N297 C298S270-N294 PolarHBondContact O-ND2 2.64Å; I271-N294 WeakPolarHBondContact O-CB 3.47Å; R292-N294 PolarHBondContact O-N 2.9Å; R292-N294 VanDerWaalsContact O-N 3.1Å; N294-G296 VanDerWaalsContact C-N 3.32Å; N294-G296 PolarHBondContact O-N 3.15Å; N294-G296 PolarHBondContact OD1-N 3.39Å; N294-G296 VanDerWaalsContact OD1-N 3.13Å; N294-N297 PolarHBondContact ND2-ND2 3.27Å; N294-N297 PolarHBondContact O-N 2.86Å; N294-N297 PolarHBondContact OD1-N 3.22Å; N294-C298 WeakPolarHBondContact O-CB 3.4Å; N294-C298 PolarHBondContact O-N 3.02Å; N294-C298 PolarHBondContact O-SG 2.76Å; N294-C298 VanDerWaalsContact O-SG 3.36Å
295P95.9Very high97.7Very high64 Ų6435.7 Ų35.742%0.41618%0.175SC..Hα-helixtrans-55.8-40.1-174.3-28.436.1000114.8Y93 P121 D299Y93-P295 HydrophobicContact CE1-CB 4Å; Y93-P295 HydrophobicContact CE1-CG 4.32Å; P121-P295 HydrophobicContact CB-CB 3.88Å; P295-D299 PolarHBondContact O-N 3.49Å; P295-D299 VanDerWaalsContact O-N 3.1Å
296G95.8Very high97.7Very high0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-70.8-41.1179.900000113E273 G274 N294 D299E273-G296 WeakPolarHBondContact O-CA 3.45Å; G274-G296 WeakPolarHBondContact O-CA 3.35Å; N294-G296 VanDerWaalsContact C-N 3.32Å; N294-G296 PolarHBondContact O-N 3.15Å; N294-G296 PolarHBondContact OD1-N 3.39Å; N294-G296 VanDerWaalsContact OD1-N 3.13Å; G296-D299 WeakPolarHBondContact O-CB 3.42Å
297N97.3Very high97.8Very high0 Ų034.6 Ų34.60%017%0.165CC..Hα-helixtrans-67-42.9175.3-79.6-12.9000111.7N268 V291 R292 N294 D299 L300 I301N268-N297 PolarHBondContact OD1-ND2 3.24Å; V291-N297 HydrophobicContact CB-CB 4.07Å; V291-N297 HydrophobicContact CG2-CB 3.87Å; R292-N297 WeakPolarHBondContact O-CB 3.23Å; R292-N297 PolarHBondContact O-ND2 3.09Å; N294-N297 PolarHBondContact ND2-ND2 3.27Å; N294-N297 PolarHBondContact O-N 2.86Å; N294-N297 PolarHBondContact OD1-N 3.22Å; N297-D299 VanDerWaalsContact C-N 3.27Å; N297-D299 PolarHBondContact O-N 2.84Å; N297-L300 PolarHBondContact O-N 2.86Å; N297-I301 WeakPolarHBondContact O-CB 3.48Å; N297-I301 PolarHBondContact O-N 3.11Å
298C97.4Very high97.8Very high37 Ų3734.3 Ų34.325%0.2516%0.163CC..Hα-helixtrans-74.5-15.1-179.7-64.80000114N294 K302N294-C298 WeakPolarHBondContact O-CB 3.4Å; N294-C298 PolarHBondContact O-N 3.02Å; N294-C298 PolarHBondContact O-SG 2.76Å; N294-C298 VanDerWaalsContact O-SG 3.36Å; C298-K302 PolarHBondContact O-NZ 3.06Å
299D96.8Very high97.8Very high25 Ų2534.6 Ų34.613%0.13417%0.165CC..Hα-helixtrans-65-49.2166.7-173.971.6000110.5N119 P121 H141 P295 G296 N297 K302N119-D299 HydrophobicContact CB-CB 4.2Å; N119-D299 WeakPolarHBondContact CB-OD2 3.49Å; P121-D299 VanDerWaalsContact CD-OD1 3.26Å; P121-D299 WeakPolarHBondContact CD-OD1 3.48Å; P121-D299 HydrophobicContact CG-CB 4.13Å; H141-D299 IonicContact CE1-OD2 2.68Å; P295-D299 PolarHBondContact O-N 3.49Å; P295-D299 VanDerWaalsContact O-N 3.1Å; G296-D299 WeakPolarHBondContact O-CB 3.42Å; N297-D299 VanDerWaalsContact C-N 3.27Å; N297-D299 PolarHBondContact O-N 2.84Å; D299-K302 PolarHBondContact O-NZ 2.99Å
300L97.6Very high97.8Very high0 Ų034.5 Ų34.50%016%0.164CC..Hα-helixtrans-76-41.2179.4-65.3175000112.9Q275 V279 M280 N297 N306 F340 F346Q275-L300 HydrophobicContact CG-CD1 3.94Å; Q275-L300 HydrophobicContact CG-CD2 4.1Å; Q275-L300 HydrophobicContact CG-CG 4.22Å; V279-L300 HydrophobicContact CB-CD1 4.45Å; V279-L300 HydrophobicContact CG1-CD1 4.22Å; M280-L300 HydrophobicContact CG-CD1 3.73Å; M280-L300 HydrophobicContact CG-CD2 4.05Å; M280-L300 HydrophobicContact SD-CD1 4.31Å; M280-L300 HydrophobicContact SD-CD2 4.36Å; N297-L300 PolarHBondContact O-N 2.86Å; L300-N306 PolarHBondContact O-ND2 3.05Å; L300-F340 HydrophobicContact CD2-CE1 4.27Å; L300-F340 WeakPolarHBondContact O-CE1 3.4Å; L300-F346 HydrophobicContact CD2-CE1 3.93Å; L300-F346 HydrophobicContact CD2-CZ 4.1Å
301I98.4Very high97.7Very high3 Ų340.6 Ų40.62%0.01519%0.187CC..  trans-108.7123.1-169.3-51.7-53.6000111.4V279 M283 V289 V291 N297 N306 V309V279-I301 HydrophobicContact CG1-CD1 3.96Å; V279-I301 HydrophobicContact CG1-CG1 4.32Å; M283-I301 HydrophobicContact CE-CD1 4.12Å; M283-I301 HydrophobicContact SD-CD1 3.68Å; V289-I301 HydrophobicContact CG2-CD1 3.46Å; V289-I301 VanDerWaalsContact CG2-CD1 3.46Å; V289-I301 HydrophobicContact CG2-CG1 4.23Å; V291-I301 HydrophobicContact CG1-CG1 4.06Å; V291-I301 HydrophobicContact CG2-CB 3.92Å; V291-I301 HydrophobicContact CG2-CG1 3.75Å; V291-I301 HydrophobicContact CG2-CG2 4.14Å; N297-I301 WeakPolarHBondContact O-CB 3.48Å; N297-I301 PolarHBondContact O-N 3.11Å; I301-N306 WeakPolarHBondContact CA-OD1 3.22Å; I301-V309 HydrophobicContact CB-CG2 4.3Å; I301-V309 HydrophobicContact CG2-CG2 3.77Å
302K98Very high97.6Very high102 Ų10243.5 Ų43.544%0.44321%0.205SC..  trans-100.3111.7164.9-53.8-52.2171.1-154.40107.2C298 D299 R304 K305 N306C298-K302 PolarHBondContact O-NZ 3.06Å; D299-K302 PolarHBondContact O-NZ 2.99Å; K302-R304 PolarHBondContact O-N 3.18Å; K302-K305 HydrophobicContact CB-CB 4.05Å; K302-K305 HydrophobicContact CB-CD 4.29Å; K302-K305 WeakPolarHBondContact O-CB 3.4Å; K302-K305 PolarHBondContact O-N 2.97Å; K302-N306 PolarHBondContact N-OD1 3.04Å; K302-N306 PolarHBondContact O-N 3.4Å; K302-N306 PolarHBondContact O-OD1 3.23Å
303D98.2Very high97.5Very high75 Ų7543.8 Ų43.840%0.40121%0.212SC..BIsolated β-bridgetrans-50.1135.4-175-174.442.1000112.1K305 L308 V309D303-K305 PolarHBondContact O-N 3.1Å; D303-L308 WeakPolarHBondContact OD1-CA 3.29Å; D303-V309 HydrophobicContact CB-CB 4.01Å; D303-V309 HydrophobicContact CB-CG2 3.85Å; D303-V309 PolarHBondContact OD1-N 3.19Å
304R97Very high97.4Very high136 Ų13646.2 Ų46.251%0.51322%0.221SC..THydrogen-bonded Turntrans56.912.6-176.6-58.6178-177.5-85.8-2.9115.4K302 G307 L308 Y322K302-R304 PolarHBondContact O-N 3.18Å; R304-G307 PolarHBondContact N-O 2.98Å; R304-L308 HydrophobicContact CG-CD2 3.93Å; R304-Y322 PolarHBondContact NH1-OH 3.41Å
305K98.3Very high97.5Very high139 Ų13948.2 Ų48.260%0.60423%0.23SC*.THydrogen-bonded Turntrans-110.6-62.8174.6-176.4-178.3178.6-176.70111.5K302 D303 A336K302-K305 HydrophobicContact CB-CB 4.05Å; K302-K305 HydrophobicContact CB-CD 4.29Å; K302-K305 WeakPolarHBondContact O-CB 3.4Å; K302-K305 PolarHBondContact O-N 2.97Å; D303-K305 PolarHBondContact O-N 3.1Å; K305-A336 VanDerWaalsContact O-CB 3.22Å; K305-A336 WeakPolarHBondContact O-CB 3.34Å
306N98.4Very high97.6Very high5 Ų545.2 Ų45.23%0.02721%0.21CC..THydrogen-bonded Turntrans-123.213.6-177.871-18.4000112.9M283 L300 I301 K302 A336 A337M283-N306 HydrophobicContact CE-CB 4.46Å; L300-N306 PolarHBondContact O-ND2 3.05Å; I301-N306 WeakPolarHBondContact CA-OD1 3.22Å; K302-N306 PolarHBondContact N-OD1 3.04Å; K302-N306 PolarHBondContact O-N 3.4Å; K302-N306 PolarHBondContact O-OD1 3.23Å; N306-A336 HydrophobicContact CB-CB 4.22Å; N306-A337 HydrophobicContact CB-CB 4.19Å; N306-A337 WeakPolarHBondContact O-CB 3.48Å
307G98.7Very high97.6Very high0 Ų045.3 Ų45.30%021%0.211CC..BIsolated β-bridgetrans171.4-176.3176.600000109.5R304R304-G307 PolarHBondContact N-O 2.98Å
308L98.7Very high97.5Very high1 Ų149.8 Ų49.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-119.4140.9176.1-60176.6000110.7V289 V290 V291 D303 R304 C319 Y322 L323 I333V289-L308 PolarHBondContact O-N 3.41Å; V290-L308 WeakPolarHBondContact CA-O 3.47Å; V290-L308 HydrophobicContact CG1-CB 4.48Å; V290-L308 HydrophobicContact CG2-CB 4.36Å; V290-L308 HydrophobicContact CG2-CD1 4.42Å; V291-L308 PolarHBondContact N-O 2.95Å; D303-L308 WeakPolarHBondContact OD1-CA 3.29Å; R304-L308 HydrophobicContact CG-CD2 3.93Å; L308-C319 HydrophobicContact CB-CB 4.08Å; L308-C319 HydrophobicContact CD1-CB 3.73Å; L308-C319 WeakPolarHBondContact CD1-O 3.5Å; L308-Y322 HydrophobicContact CD1-CD1 3.93Å; L308-Y322 HydrophobicContact CD2-CD1 3.97Å; L308-Y322 HydrophobicContact CD2-CE1 4.11Å; L308-L323 HydrophobicContact CD1-CD1 4.09Å; L308-L323 HydrophobicContact CD1-CD2 3.81Å; L308-L323 HydrophobicContact CD1-CG 3.61Å; L308-L323 HydrophobicContact CG-CD2 4.47Å; L308-I333 HydrophobicContact CD2-CD1 3.86Å; L308-I333 HydrophobicContact CG-CD1 4.23Å
309V98.6Very high97.5Very high9 Ų948.5 Ų48.56%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-114.8130.8179.9-177.10000110V291 E293 I301 D303V291-V309 HydrophobicContact CG2-CG2 4.04Å; V291-V309 VanDerWaalsContact O-CA 3.32Å; V291-V309 WeakPolarHBondContact O-CA 3.02Å; E293-V309 HydrophobicContact CB-CG1 3.74Å; E293-V309 HydrophobicContact CG-CG1 4.42Å; I301-V309 HydrophobicContact CB-CG2 4.3Å; I301-V309 HydrophobicContact CG2-CG2 3.77Å; D303-V309 HydrophobicContact CB-CB 4.01Å; D303-V309 HydrophobicContact CB-CG2 3.85Å; D303-V309 PolarHBondContact OD1-N 3.19Å
310F98.3Very high97.4Very high0 Ų047.3 Ų47.30%022%0.217CC..EExtended strand (participates in β ladder)trans-123.6155.917668.4-92.3000112.2F188 C269 V290 V291 R292 E293 E315 L316F188-F310 HydrophobicContact CD1-CE2 4.21Å; F188-F310 AromaticContact CE1-CD2 3.97Å; F188-F310 HydrophobicContact CE1-CD2 3.97Å; F188-F310 AromaticContact CE1-CE2 3.36Å; F188-F310 HydrophobicContact CE1-CE2 3.36Å; F188-F310 HydrophobicContact CE1-CZ 4.25Å; F188-F310 HydrophobicContact CZ-CD2 4.19Å; F188-F310 AromaticContact CZ-CE2 3.93Å; F188-F310 HydrophobicContact CZ-CE2 3.93Å; C269-F310 HydrophobicContact CB-CZ 4.29Å; V290-F310 HydrophobicContact CG1-CD1 3.57Å; V290-F310 HydrophobicContact CG1-CE1 3.9Å; V291-F310 WeakPolarHBondContact O-CD1 3.48Å; V291-F310 WeakPolarHBondContact O-CE1 3.47Å; V291-F310 PolarHBondContact O-N 3.43Å; R292-F310 CarbonylContact C-O 3.51Å; R292-F310 WeakPolarHBondContact CA-O 3.43Å; R292-F310 HydrophobicContact CB-CD2 4.35Å; R292-F310 HydrophobicContact CB-CE1 4.34Å; R292-F310 HydrophobicContact CB-CE2 3.63Å; R292-F310 HydrophobicContact CB-CZ 3.67Å; R292-F310 HydrophobicContact CG-CD2 4.41Å; R292-F310 HydrophobicContact CG-CE2 3.92Å; R292-F310 HydrophobicContact CG-CZ 4.46Å; E293-F310 PolarHBondContact N-O 3.19Å; F310-E315 HydrophobicContact CB-CB 3.78Å; F310-L316 HydrophobicContact CB-CB 4.3Å; F310-L316 HydrophobicContact CD1-CB 4.25Å; F310-L316 HydrophobicContact CD1-CD1 3.94Å; F310-L316 HydrophobicContact CD2-CB 3.92Å; F310-L316 HydrophobicContact CE1-CD1 3.83Å; F310-L316 HydrophobicContact CE1-CD2 4.44Å; F310-L316 HydrophobicContact CE2-CB 4.3Å; F310-L316 HydrophobicContact CE2-CD2 4.3Å; F310-L316 HydrophobicContact CG-CB 3.89Å; F310-L316 HydrophobicContact CG-CD1 4.45Å; F310-L316 HydrophobicContact CZ-CD1 4.31Å; F310-L316 HydrophobicContact CZ-CD2 4.11Å
311R97.4Very high97.3Very high127 Ų12748.4 Ų48.448%0.47922%0.224SC..SBendtrans-119.3-30.2175.4-62.4168.9-176.281.83.6112.7E293 E315E293-R311 HydrophobicContact CB-CG 3.94Å; E293-R311 VanDerWaalsContact CD-NE 3.26Å; E293-R311 IonicContact OE1-CZ 3.17Å; E293-R311 IonicContact OE1-NE 2.98Å; E293-R311 PolarHBondContact OE1-NE 2.91Å; E293-R311 IonicContact OE1-NH2 2.8Å; E293-R311 PolarHBondContact OE1-NH2 3.35Å; E293-R311 WeakPolarHBondContact OE2-CD 3.39Å; E293-R311 IonicContact OE2-CZ 2.73Å; E293-R311 IonicContact OE2-NE 2.6Å; E293-R311 PolarHBondContact OE2-NE 3.07Å; E293-R311 IonicContact OE2-NH2 3.67Å; R311-E315 WeakPolarHBondContact CB-OE2 3.07Å; R311-E315 PolarHBondContact N-OE2 3.48Å; R311-E315 IonicContact NH1-OE2 3.56Å
312T97.2Very high97.2Very high62 Ų6250.8 Ų50.838%0.3823%0.233SC..SBendtrans-122.2161.1-174.666.30000110.8K314 E315 L316T312-K314 PolarHBondContact O-N 2.95Å; T312-E315 PolarHBondContact O-N 2.9Å; T312-E315 WeakPolarHBondContact OG1-CB 3.48Å; T312-E315 WeakPolarHBondContact OG1-CG 3.4Å; T312-E315 PolarHBondContact OG1-N 2.66Å; T312-E315 VanDerWaalsContact OG1-N 3.13Å; T312-L316 PolarHBondContact O-N 3.4Å
313S96Very high97.1Very high36 Ų3646 Ų4625%0.25221%0.212SC..Hα-helixtrans-60.1-37.2175.744.70000111.6A192 E195 L316 G317A192-S313 VanDerWaalsContact CB-CB 3.49Å; E195-S313 VanDerWaalsContact OE2-CB 3.28Å; E195-S313 WeakPolarHBondContact OE2-CB 3.43Å; E195-S313 PolarHBondContact OE2-OG 3.13Å; E195-S313 VanDerWaalsContact OE2-OG 3.08Å; S313-L316 PolarHBondContact O-N 2.64Å; S313-G317 PolarHBondContact O-N 3.14Å; S313-G317 VanDerWaalsContact O-N 3.07Å
314K95.7Very high96.8Very high140 Ų14044.2 Ų44.261%0.60920%0.201SC*.Hα-helixtrans-59.5-49.6171.8-169.3-170.6-179.2-148.10112.4T312 L316 G317 E318T312-K314 PolarHBondContact O-N 2.95Å; K314-L316 VanDerWaalsContact C-N 3.29Å; K314-L316 PolarHBondContact O-N 3.48Å; K314-G317 PolarHBondContact O-N 2.72Å; K314-G317 VanDerWaalsContact O-N 3.13Å; K314-E318 WeakPolarHBondContact CE-OE1 3.16Å; K314-E318 IonicContact NZ-OE1 2.9Å; K314-E318 PolarHBondContact NZ-OE1 3.07Å; K314-E318 VanDerWaalsContact NZ-OE1 3.17Å; K314-E318 WeakPolarHBondContact O-CG 3.24Å; K314-E318 PolarHBondContact O-N 2.8Å
315E97.4Very high96.7Very high52 Ų5240.9 Ų40.924%0.24319%0.192CC..Hα-helixtrans-61.6-36.6178.1-78173.7-145.600112F310 R311 T312 E318 C319F310-E315 HydrophobicContact CB-CB 3.78Å; R311-E315 WeakPolarHBondContact CB-OE2 3.07Å; R311-E315 PolarHBondContact N-OE2 3.48Å; R311-E315 IonicContact NH1-OE2 3.56Å; T312-E315 PolarHBondContact O-N 2.9Å; T312-E315 WeakPolarHBondContact OG1-CB 3.48Å; T312-E315 WeakPolarHBondContact OG1-CG 3.4Å; T312-E315 PolarHBondContact OG1-N 2.66Å; T312-E315 VanDerWaalsContact OG1-N 3.13Å; E315-E318 PolarHBondContact O-N 2.94Å; E315-C319 WeakPolarHBondContact O-CB 3.32Å; E315-C319 PolarHBondContact O-N 3.34Å; E315-C319 PolarHBondContact O-SG 2.89Å
316L97.9Very high96.5Very high1 Ų136.9 Ų36.91%0.00518%0.177CC..Hα-helixtrans-60-49.5172.6173.652.9000110.3F188 A192 I267 V290 F310 T312 S313 K314 E318 C319 L320F188-L316 HydrophobicContact CE1-CD2 4.17Å; A192-L316 HydrophobicContact CB-CB 4.37Å; A192-L316 HydrophobicContact CB-CD2 3.66Å; A192-L316 HydrophobicContact CB-CG 4.28Å; I267-L316 HydrophobicContact CD1-CD1 4.42Å; I267-L316 HydrophobicContact CG2-CD1 4.22Å; I267-L316 HydrophobicContact CG2-CD2 4.32Å; V290-L316 HydrophobicContact CB-CD1 4.47Å; V290-L316 HydrophobicContact CG1-CD1 3.53Å; F310-L316 HydrophobicContact CB-CB 4.3Å; F310-L316 HydrophobicContact CD1-CB 4.25Å; F310-L316 HydrophobicContact CD1-CD1 3.94Å; F310-L316 HydrophobicContact CD2-CB 3.92Å; F310-L316 HydrophobicContact CE1-CD1 3.83Å; F310-L316 HydrophobicContact CE1-CD2 4.44Å; F310-L316 HydrophobicContact CE2-CB 4.3Å; F310-L316 HydrophobicContact CE2-CD2 4.3Å; F310-L316 HydrophobicContact CG-CB 3.89Å; F310-L316 HydrophobicContact CG-CD1 4.45Å; F310-L316 HydrophobicContact CZ-CD1 4.31Å; F310-L316 HydrophobicContact CZ-CD2 4.11Å; T312-L316 PolarHBondContact O-N 3.4Å; S313-L316 PolarHBondContact O-N 2.64Å; K314-L316 VanDerWaalsContact C-N 3.29Å; K314-L316 PolarHBondContact O-N 3.48Å; L316-E318 VanDerWaalsContact C-N 3.35Å; L316-E318 PolarHBondContact O-N 2.8Å; L316-C319 WeakPolarHBondContact O-CB 3.45Å; L316-C319 PolarHBondContact O-N 3.49Å; L316-C319 VanDerWaalsContact O-N 3.13Å; L316-L320 HydrophobicContact CD1-CD1 4.39Å; L316-L320 HydrophobicContact CD1-CD2 4.26Å; L316-L320 HydrophobicContact CD1-CG 4.14Å; L316-L320 WeakPolarHBondContact O-CG 3.38Å; L316-L320 PolarHBondContact O-N 3.47Å
317G96.1Very high96.4Very high2 Ų240.3 Ų40.32%0.02120%0.199CC..Hα-helixtrans-57.6-43.6175.100000113.4W196 S313 K314 C319 L320 T321W196-G317 VanDerWaalsContact CD1-O 3.23Å; W196-G317 PolarHBondContact NE1-O 2.73Å; S313-G317 PolarHBondContact O-N 3.14Å; S313-G317 VanDerWaalsContact O-N 3.07Å; K314-G317 PolarHBondContact O-N 2.72Å; K314-G317 VanDerWaalsContact O-N 3.13Å; G317-C319 VanDerWaalsContact C-N 3.32Å; G317-C319 PolarHBondContact O-N 3.01Å; G317-L320 PolarHBondContact O-N 2.9Å; G317-T321 PolarHBondContact O-N 3.41Å; G317-T321 PolarHBondContact O-OG1 2.89Å
318E95.5Very high96.3Very high93 Ų9345.3 Ų45.344%0.43523%0.226SC..Hα-helixtrans-60.8-39.7175.1-70.2171.6-178.900111.7K314 E315 L316 Y322K314-E318 WeakPolarHBondContact CE-OE1 3.16Å; K314-E318 IonicContact NZ-OE1 2.9Å; K314-E318 PolarHBondContact NZ-OE1 3.07Å; K314-E318 VanDerWaalsContact NZ-OE1 3.17Å; K314-E318 WeakPolarHBondContact O-CG 3.24Å; K314-E318 PolarHBondContact O-N 2.8Å; E315-E318 PolarHBondContact O-N 2.94Å; L316-E318 VanDerWaalsContact C-N 3.35Å; L316-E318 PolarHBondContact O-N 2.8Å; E318-Y322 WeakPolarHBondContact O-CB 3.3Å; E318-Y322 PolarHBondContact O-N 2.99Å
319C97.2Very high96.2Very high10 Ų1047.4 Ų47.47%0.06824%0.237CC..Hα-helixtrans-64.4-44.2175.3-690000112.3V290 L308 E315 L316 G317 Y322 L323V290-C319 HydrophobicContact CG1-CB 3.63Å; V290-C319 HydrophobicContact CG2-CB 4.39Å; L308-C319 HydrophobicContact CB-CB 4.08Å; L308-C319 HydrophobicContact CD1-CB 3.73Å; L308-C319 WeakPolarHBondContact CD1-O 3.5Å; E315-C319 WeakPolarHBondContact O-CB 3.32Å; E315-C319 PolarHBondContact O-N 3.34Å; E315-C319 PolarHBondContact O-SG 2.89Å; L316-C319 WeakPolarHBondContact O-CB 3.45Å; L316-C319 PolarHBondContact O-N 3.49Å; L316-C319 VanDerWaalsContact O-N 3.13Å; G317-C319 VanDerWaalsContact C-N 3.32Å; G317-C319 PolarHBondContact O-N 3.01Å; C319-Y322 PolarHBondContact O-N 3.17Å; C319-L323 PolarHBondContact O-N 2.87Å; C319-L323 VanDerWaalsContact O-N 3.1Å
320L96Very high96.1Very high0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-62.6-47.6177.6-61.2179.5000110.8F174 W196 I267 V290 L316 G317 Y322 L323 E324F174-L320 HydrophobicContact CD1-CD2 3.96Å; F174-L320 HydrophobicContact CD2-CD1 4.1Å; F174-L320 HydrophobicContact CD2-CD2 4.25Å; F174-L320 HydrophobicContact CE1-CD2 3.76Å; F174-L320 HydrophobicContact CE2-CB 4.29Å; F174-L320 HydrophobicContact CE2-CD1 3.85Å; F174-L320 HydrophobicContact CE2-CD2 4.05Å; F174-L320 HydrophobicContact CE2-CG 4.27Å; F174-L320 HydrophobicContact CG-CD2 4.2Å; F174-L320 HydrophobicContact CZ-CB 4.02Å; F174-L320 HydrophobicContact CZ-CD1 4.34Å; F174-L320 HydrophobicContact CZ-CD2 3.81Å; F174-L320 HydrophobicContact CZ-CG 4.25Å; W196-L320 HydrophobicContact CD2-CB 4.46Å; W196-L320 HydrophobicContact CD2-CD1 4.21Å; W196-L320 HydrophobicContact CE3-CD1 4.35Å; W196-L320 HydrophobicContact CZ2-CB 4.16Å; I267-L320 HydrophobicContact CD1-CD1 4.41Å; I267-L320 HydrophobicContact CD1-CD2 4.03Å; I267-L320 HydrophobicContact CG1-CD2 4.3Å; V290-L320 HydrophobicContact CG2-CD2 4.36Å; L316-L320 HydrophobicContact CD1-CD1 4.39Å; L316-L320 HydrophobicContact CD1-CD2 4.26Å; L316-L320 HydrophobicContact CD1-CG 4.14Å; L316-L320 WeakPolarHBondContact O-CG 3.38Å; L316-L320 PolarHBondContact O-N 3.47Å; G317-L320 PolarHBondContact O-N 2.9Å; L320-Y322 VanDerWaalsContact C-N 3.32Å; L320-Y322 PolarHBondContact O-N 3.41Å; L320-L323 PolarHBondContact O-N 3.16Å; L320-E324 WeakPolarHBondContact O-CG 3.49Å; L320-E324 PolarHBondContact O-N 3.47Å
321T95.3Very high96.1Very high23 Ų2355.8 Ų55.814%0.14127%0.271CS..Hα-helixtrans-58.3-44.4174.4-65.10000111.5W196 I213 G317 L323 E324 E325W196-T321 PolarHBondContact NE1-OG1 3.38Å; I213-T321 HydrophobicContact CD1-CG2 3.82Å; G317-T321 PolarHBondContact O-N 3.41Å; G317-T321 PolarHBondContact O-OG1 2.89Å; T321-L323 PolarHBondContact O-N 3.27Å; T321-E324 PolarHBondContact O-N 3.45Å; T321-E325 VanDerWaalsContact CG2-CD 3.47Å; T321-E325 HydrophobicContact CG2-CG 4.27Å; T321-E325 WeakPolarHBondContact CG2-OE2 3.39Å; T321-E325 WeakPolarHBondContact O-CB 3.32Å; T321-E325 PolarHBondContact O-N 3.2Å
322Y95.2Very high96.1Very high54 Ų5455.8 Ų55.821%0.21228%0.277CS..Hα-helixtrans-60.1-42.2-178.4-174.5-113.8000112.8R304 L308 E318 C319 L320 N326 I329R304-Y322 PolarHBondContact NH1-OH 3.41Å; L308-Y322 HydrophobicContact CD1-CD1 3.93Å; L308-Y322 HydrophobicContact CD2-CD1 3.97Å; L308-Y322 HydrophobicContact CD2-CE1 4.11Å; E318-Y322 WeakPolarHBondContact O-CB 3.3Å; E318-Y322 PolarHBondContact O-N 2.99Å; C319-Y322 PolarHBondContact O-N 3.17Å; L320-Y322 VanDerWaalsContact C-N 3.32Å; L320-Y322 PolarHBondContact O-N 3.41Å; Y322-N326 WeakPolarHBondContact CD2-ND2 3.26Å; Y322-N326 VanDerWaalsContact O-CB 3.3Å; Y322-N326 WeakPolarHBondContact O-CB 3.48Å; Y322-N326 PolarHBondContact O-N 3.45Å; Y322-N326 PolarHBondContact O-ND2 3.26Å; Y322-I329 HydrophobicContact CE1-CG2 3.62Å; Y322-I329 HydrophobicContact CE2-CD1 4.25Å; Y322-I329 WeakPolarHBondContact OH-CD1 3.46Å
323L95.4Very high96.2Very high2 Ų253 Ų531%0.0126%0.259CS..Hα-helixtrans-65.9-37.9177.2-71.2175.7000113A265 P288 V290 L308 C319 L320 T321 I333A265-L323 HydrophobicContact CB-CD1 3.92Å; P288-L323 HydrophobicContact CB-CD1 3.95Å; P288-L323 HydrophobicContact CB-CD2 3.9Å; P288-L323 HydrophobicContact CG-CD1 4.06Å; P288-L323 HydrophobicContact CG-CD2 4.4Å; V290-L323 HydrophobicContact CG2-CD1 3.54Å; L308-L323 HydrophobicContact CD1-CD1 4.09Å; L308-L323 HydrophobicContact CD1-CD2 3.81Å; L308-L323 HydrophobicContact CD1-CG 3.61Å; L308-L323 HydrophobicContact CG-CD2 4.47Å; C319-L323 PolarHBondContact O-N 2.87Å; C319-L323 VanDerWaalsContact O-N 3.1Å; L320-L323 PolarHBondContact O-N 3.16Å; T321-L323 PolarHBondContact O-N 3.27Å; L323-I333 HydrophobicContact CD2-CD1 4.21Å
324E93.7Very high96.3Very high36 Ų3652.6 Ų52.617%0.16825%0.254CS..Hα-helixtrans-80.6-35.2-176.1-63.6-59.4125.300112.4F174 I213 Y218 L320 T321 R330F174-E324 HydrophobicContact CZ-CG 4.42Å; I213-E324 HydrophobicContact CD1-CB 3.62Å; I213-E324 HydrophobicContact CD1-CG 4.49Å; I213-E324 HydrophobicContact CG1-CB 4.01Å; Y218-E324 HydrophobicContact CE1-CG 4.12Å; Y218-E324 VanDerWaalsContact OH-CD 3.27Å; Y218-E324 WeakPolarHBondContact OH-CG 3.39Å; Y218-E324 PolarHBondContact OH-OE2 2.82Å; L320-E324 WeakPolarHBondContact O-CG 3.49Å; L320-E324 PolarHBondContact O-N 3.47Å; T321-E324 PolarHBondContact O-N 3.45Å; E324-R330 IonicContact OE1-NH1 3.32Å; E324-R330 PolarHBondContact OE1-NH1 3.08Å
325E93.5Very high96.5Very high66 Ų6652.3 Ų52.331%0.30825%0.253SS..Hα-helixtrans-81.1-20.7178.6-81.2174.3179.300114S211 I213 T321 P327S211-E325 WeakPolarHBondContact CA-OE1 3.34Å; S211-E325 WeakPolarHBondContact CB-OE1 3.28Å; S211-E325 PolarHBondContact OG-OE1 3.07Å; I213-E325 HydrophobicContact CD1-CG 3.85Å; I213-E325 HydrophobicContact CG1-CG 3.88Å; T321-E325 VanDerWaalsContact CG2-CD 3.47Å; T321-E325 HydrophobicContact CG2-CG 4.27Å; T321-E325 WeakPolarHBondContact CG2-OE2 3.39Å; T321-E325 WeakPolarHBondContact O-CB 3.32Å; T321-E325 PolarHBondContact O-N 3.2Å; E325-P327 VanDerWaalsContact C-CD 3.49Å; E325-P327 VanDerWaalsContact O-CD 3.25Å; E325-P327 WeakPolarHBondContact O-CD 3.14Å
326N95.3Very high96.5Very high56 Ų5650.7 Ų50.730%0.29925%0.249SC..  trans-120.972.5-172.8-57.6-90.8000111.3Y322 D328 I329 R330Y322-N326 WeakPolarHBondContact CD2-ND2 3.26Å; Y322-N326 VanDerWaalsContact O-CB 3.3Å; Y322-N326 WeakPolarHBondContact O-CB 3.48Å; Y322-N326 PolarHBondContact O-N 3.45Å; Y322-N326 PolarHBondContact O-ND2 3.26Å; N326-D328 PolarHBondContact O-N 3.06Å; N326-I329 HydrophobicContact CB-CB 3.86Å; N326-I329 HydrophobicContact CB-CD1 4.45Å; N326-I329 HydrophobicContact CB-CG1 4.13Å; N326-I329 PolarHBondContact O-N 3.3Å; N326-R330 PolarHBondContact O-N 2.82Å
327P95.2Very high96.6Very high76 Ų7650.9 Ų50.949%0.49425%0.25SS..Hα-helixtrans-60.3-31.5-175.123.5-34.3000113.5E325 K331E325-P327 VanDerWaalsContact C-CD 3.49Å; E325-P327 VanDerWaalsContact O-CD 3.25Å; E325-P327 WeakPolarHBondContact O-CD 3.14Å; P327-K331 WeakPolarHBondContact O-CG 3.37Å; P327-K331 PolarHBondContact O-N 3.38Å; P327-K331 VanDerWaalsContact O-N 3.07Å
328D96.8Very high96.6Very high105 Ų10554.6 Ų54.656%0.56127%0.267SS*.Hα-helixtrans-72-38.3176.3-67.8-31.5000112N326 K331 Q332N326-D328 PolarHBondContact O-N 3.06Å; D328-K331 PolarHBondContact O-N 3.19Å; D328-K331 IonicContact OD1-NZ 3.84Å; D328-Q332 WeakPolarHBondContact O-CG 3.04Å; D328-Q332 PolarHBondContact O-N 3.38Å
329I95.8Very high96.8Very high45 Ų4556.7 Ų56.723%0.23128%0.277CS..Hα-helixtrans-68.6-39.7174.1-64.3-161.3000110.6Y322 N326 K331 Q332 I333Y322-I329 HydrophobicContact CE1-CG2 3.62Å; Y322-I329 HydrophobicContact CE2-CD1 4.25Å; Y322-I329 WeakPolarHBondContact OH-CD1 3.46Å; N326-I329 HydrophobicContact CB-CB 3.86Å; N326-I329 HydrophobicContact CB-CD1 4.45Å; N326-I329 HydrophobicContact CB-CG1 4.13Å; N326-I329 PolarHBondContact O-N 3.3Å; I329-K331 VanDerWaalsContact C-N 3.29Å; I329-K331 PolarHBondContact O-N 3.31Å; I329-Q332 PolarHBondContact O-N 3.45Å; I329-Q332 VanDerWaalsContact O-N 3.13Å; I329-I333 HydrophobicContact CG2-CD1 3.84Å; I329-I333 HydrophobicContact CG2-CG1 4.23Å; I329-I333 WeakPolarHBondContact O-CB 3.45Å; I329-I333 WeakPolarHBondContact O-CG1 3.48Å; I329-I333 PolarHBondContact O-N 3.08Å
330R97.7Very high96.8Very high49 Ų4959 Ų5919%0.18529%0.286CS..Hα-helixtrans-54.5-46.7172.4177.8174.6178159.8-5.5111.2Q264 P288 E324 N326 I333 I334Q264-R330 PolarHBondContact O-NH2 2.66Å; P288-R330 HydrophobicContact CG-CG 4.36Å; E324-R330 IonicContact OE1-NH1 3.32Å; E324-R330 PolarHBondContact OE1-NH1 3.08Å; N326-R330 PolarHBondContact O-N 2.82Å; R330-I333 PolarHBondContact O-N 2.95Å; R330-I334 HydrophobicContact CG-CD1 3.81Å; R330-I334 WeakPolarHBondContact O-CB 3.3Å; R330-I334 WeakPolarHBondContact O-CD1 3.38Å; R330-I334 VanDerWaalsContact O-CG1 3.24Å; R330-I334 WeakPolarHBondContact O-CG1 3.24Å; R330-I334 PolarHBondContact O-N 3.5Å
331K98.1Very high96.9Very high136 Ų13659.3 Ų59.359%0.59129%0.287SS*.Hα-helixtrans-61.9-42.6175.5-71.3170.7-172.5167.10112.6P327 D328 I329 I334 F335P327-K331 WeakPolarHBondContact O-CG 3.37Å; P327-K331 PolarHBondContact O-N 3.38Å; P327-K331 VanDerWaalsContact O-N 3.07Å; D328-K331 PolarHBondContact O-N 3.19Å; D328-K331 IonicContact OD1-NZ 3.84Å; I329-K331 VanDerWaalsContact C-N 3.29Å; I329-K331 PolarHBondContact O-N 3.31Å; K331-I334 PolarHBondContact O-N 3.12Å; K331-F335 WeakPolarHBondContact O-CB 3.32Å; K331-F335 PolarHBondContact O-N 2.89Å
332Q98.3Very high96.9Very high128 Ų12860.5 Ų60.560%0.59831%0.305SS*.Hα-helixtrans-62.5-44.2177.4-71.4171.710.200112D328 I329 F335 A336D328-Q332 WeakPolarHBondContact O-CG 3.04Å; D328-Q332 PolarHBondContact O-N 3.38Å; I329-Q332 PolarHBondContact O-N 3.45Å; I329-Q332 VanDerWaalsContact O-N 3.13Å; Q332-F335 PolarHBondContact O-N 2.96Å; Q332-A336 WeakPolarHBondContact O-CB 3.48Å; Q332-A336 PolarHBondContact O-N 3.29Å
333I98.4Very high97Very high3 Ų358.8 Ų58.82%0.01530%0.303CS..Hα-helixtrans-60.8-46.6176.6-75.1174.2000110.8L308 L323 I329 R330 A336 A337L308-I333 HydrophobicContact CD2-CD1 3.86Å; L308-I333 HydrophobicContact CG-CD1 4.23Å; L323-I333 HydrophobicContact CD2-CD1 4.21Å; I329-I333 HydrophobicContact CG2-CD1 3.84Å; I329-I333 HydrophobicContact CG2-CG1 4.23Å; I329-I333 WeakPolarHBondContact O-CB 3.45Å; I329-I333 WeakPolarHBondContact O-CG1 3.48Å; I329-I333 PolarHBondContact O-N 3.08Å; R330-I333 PolarHBondContact O-N 2.95Å; I333-A336 PolarHBondContact O-N 2.85Å; I333-A337 WeakPolarHBondContact O-CB 3.44Å; I333-A337 PolarHBondContact O-N 3.31Å
334I98.6Very high97Very high27 Ų2765.3 Ų65.314%0.13833%0.332CS..Hα-helixtrans-60.9-50.4178.6-71.4162.8000110.5G286 P288 R330 K331 A336 A337 E338G286-I334 WeakPolarHBondContact O-CD1 3.29Å; P288-I334 HydrophobicContact CB-CG1 4.35Å; R330-I334 HydrophobicContact CG-CD1 3.81Å; R330-I334 WeakPolarHBondContact O-CB 3.3Å; R330-I334 WeakPolarHBondContact O-CD1 3.38Å; R330-I334 VanDerWaalsContact O-CG1 3.24Å; R330-I334 WeakPolarHBondContact O-CG1 3.24Å; R330-I334 PolarHBondContact O-N 3.5Å; K331-I334 PolarHBondContact O-N 3.12Å; I334-A336 VanDerWaalsContact C-N 3.34Å; I334-A336 PolarHBondContact O-N 3.03Å; I334-A337 WeakPolarHBondContact O-CA 3.38Å; I334-A337 WeakPolarHBondContact O-CB 3.41Å; I334-A337 PolarHBondContact O-N 3.42Å; I334-E338 HydrophobicContact CG2-CG 4.37Å; I334-E338 WeakPolarHBondContact O-CG 3.23Å; I334-E338 PolarHBondContact O-N 2.58Å
335F98.5Very high97.1Very high134 Ų13466.7 Ų66.759%0.58834%0.338SS*.Hα-helixtrans-58.8-45-179.6179.9-93.7000112.1K331 Q332 A337 E338 E339K331-F335 WeakPolarHBondContact O-CB 3.32Å; K331-F335 PolarHBondContact O-N 2.89Å; Q332-F335 PolarHBondContact O-N 2.96Å; F335-A337 VanDerWaalsContact C-N 3.29Å; F335-A337 PolarHBondContact O-N 2.96Å; F335-E338 PolarHBondContact O-N 2.81Å; F335-E339 WeakPolarHBondContact O-CB 3.27Å; F335-E339 PolarHBondContact O-N 3.47Å
336A98.7Very high97.2Very high19 Ų1963.6 Ų63.616%0.15732%0.324CS..Hα-helixtrans-67.3-29.8177.300000112.8K305 N306 Q332 I333 I334 F340K305-A336 VanDerWaalsContact O-CB 3.22Å; K305-A336 WeakPolarHBondContact O-CB 3.34Å; N306-A336 HydrophobicContact CB-CB 4.22Å; Q332-A336 WeakPolarHBondContact O-CB 3.48Å; Q332-A336 PolarHBondContact O-N 3.29Å; I333-A336 PolarHBondContact O-N 2.85Å; I334-A336 VanDerWaalsContact C-N 3.34Å; I334-A336 PolarHBondContact O-N 3.03Å; A336-F340 VanDerWaalsContact O-CB 3.27Å; A336-F340 WeakPolarHBondContact O-CB 3.48Å; A336-F340 PolarHBondContact O-N 2.74Å
337A98.6Very high97.1Very high4 Ų464.7 Ų64.73%0.03333%0.327CS..Hα-helixtrans-69.3-46.7173.500000111.9M283 N306 I333 I334 F335 F340 I341M283-A337 HydrophobicContact CB-CB 4.01Å; M283-A337 HydrophobicContact CE-CB 3.77Å; M283-A337 HydrophobicContact CG-CB 3.96Å; N306-A337 HydrophobicContact CB-CB 4.19Å; N306-A337 WeakPolarHBondContact O-CB 3.48Å; I333-A337 WeakPolarHBondContact O-CB 3.44Å; I333-A337 PolarHBondContact O-N 3.31Å; I334-A337 WeakPolarHBondContact O-CA 3.38Å; I334-A337 WeakPolarHBondContact O-CB 3.41Å; I334-A337 PolarHBondContact O-N 3.42Å; F335-A337 VanDerWaalsContact C-N 3.29Å; F335-A337 PolarHBondContact O-N 2.96Å; A337-F340 PolarHBondContact O-N 3.15Å; A337-I341 VanDerWaalsContact O-CB 3.24Å; A337-I341 WeakPolarHBondContact O-CB 3.36Å; A337-I341 WeakPolarHBondContact O-CG2 2.95Å; A337-I341 PolarHBondContact O-N 3.2Å
338E98Very high96.9Very high81 Ų8163.2 Ų63.238%0.37931%0.311SS..Hα-helixtrans-60.9-44.3175.5-70.3175.8150.400111.4M283 G286 I334 F335 I341 G342M283-E338 WeakPolarHBondContact O-CG 3.47Å; G286-E338 WeakPolarHBondContact CA-OE1 3.32Å; I334-E338 HydrophobicContact CG2-CG 4.37Å; I334-E338 WeakPolarHBondContact O-CG 3.23Å; I334-E338 PolarHBondContact O-N 2.58Å; F335-E338 PolarHBondContact O-N 2.81Å; E338-I341 PolarHBondContact O-N 3.12Å; E338-G342 PolarHBondContact O-N 3.04Å
339E98Very high96.6Very high137 Ų13760.1 Ų60.164%0.6431%0.305SS*.Hα-helixtrans-62.2-47.7176.7-174-175.2175.900111.7F335 I341 G342F335-E339 WeakPolarHBondContact O-CB 3.27Å; F335-E339 PolarHBondContact O-N 3.47Å; E339-I341 VanDerWaalsContact C-N 3.35Å; E339-I341 PolarHBondContact O-N 2.85Å; E339-G342 PolarHBondContact O-N 3.22Å
340F98Very high96.5Very high59 Ų5962 Ų6226%0.25931%0.309SS..Hα-helixtrans-60.4-46.7178.6174.9-99.1000111.4M283 L300 A336 A337 G342 G343 F346M283-F340 HydrophobicContact CE-CD1 3.64Å; M283-F340 HydrophobicContact CE-CE1 4.33Å; M283-F340 HydrophobicContact CE-CG 4.49Å; L300-F340 HydrophobicContact CD2-CE1 4.27Å; L300-F340 WeakPolarHBondContact O-CE1 3.4Å; A336-F340 VanDerWaalsContact O-CB 3.27Å; A336-F340 WeakPolarHBondContact O-CB 3.48Å; A336-F340 PolarHBondContact O-N 2.74Å; A337-F340 PolarHBondContact O-N 3.15Å; F340-G342 VanDerWaalsContact C-N 3.32Å; F340-G342 PolarHBondContact O-N 3.38Å; F340-G343 PolarHBondContact O-N 2.71Å; F340-G343 VanDerWaalsContact O-N 3.11Å; F340-F346 HydrophobicContact CD1-CE2 4.02Å; F340-F346 HydrophobicContact CD1-CZ 4.38Å; F340-F346 AromaticContact CE1-CE2 3.65Å; F340-F346 HydrophobicContact CE1-CE2 3.65Å; F340-F346 AromaticContact CE1-CZ 3.57Å; F340-F346 HydrophobicContact CE1-CZ 3.57Å; F340-F346 HydrophobicContact CE2-CE2 4.49Å; F340-F346 AromaticContact CZ-CE2 3.92Å; F340-F346 HydrophobicContact CZ-CE2 3.92Å; F340-F346 AromaticContact CZ-CZ 3.73Å; F340-F346 HydrophobicContact CZ-CZ 3.73Å; F340-F346 WeakPolarHBondContact O-CE2 3.27Å
341I97.3Very high96.3Very high5 Ų559.8 Ų59.83%0.02630%0.301CS..Hα-helixtrans-77.6-21-173.5-14770.8000113I144 M280 M283 A337 E338 E339 G343 F346 Q347I144-I341 HydrophobicContact CD1-CB 4.26Å; I144-I341 HydrophobicContact CD1-CD1 3.49Å; I144-I341 VanDerWaalsContact CD1-CD1 3.49Å; I144-I341 HydrophobicContact CD1-CG1 2.96Å; I144-I341 HydrophobicContact CG1-CG1 4.42Å; M280-I341 HydrophobicContact CB-CD1 4.07Å; M280-I341 HydrophobicContact CE-CD1 4.42Å; M280-I341 HydrophobicContact CG-CD1 4.04Å; M283-I341 HydrophobicContact CB-CB 4.22Å; M283-I341 HydrophobicContact CB-CG1 4.32Å; M283-I341 HydrophobicContact CB-CG2 4.23Å; M283-I341 HydrophobicContact CE-CB 4.42Å; M283-I341 HydrophobicContact CE-CD1 4.33Å; M283-I341 HydrophobicContact SD-CD1 4.19Å; A337-I341 VanDerWaalsContact O-CB 3.24Å; A337-I341 WeakPolarHBondContact O-CB 3.36Å; A337-I341 WeakPolarHBondContact O-CG2 2.95Å; A337-I341 PolarHBondContact O-N 3.2Å; E338-I341 PolarHBondContact O-N 3.12Å; E339-I341 VanDerWaalsContact C-N 3.35Å; E339-I341 PolarHBondContact O-N 2.85Å; I341-G343 PolarHBondContact O-N 2.63Å; I341-F346 HydrophobicContact CD1-CD1 4.31Å; I341-F346 HydrophobicContact CD1-CD2 3.96Å; I341-F346 HydrophobicContact CD1-CE1 4.42Å; I341-F346 HydrophobicContact CD1-CE2 4.09Å; I341-F346 HydrophobicContact CD1-CG 4.07Å; I341-F346 HydrophobicContact CD1-CZ 4.32Å; I341-F346 HydrophobicContact CG1-CD2 4.45Å; I341-Q347 PolarHBondContact O-NE2 3.02Å
342G96.5Very high96.1Very high49 Ų4953.5 Ų53.551%0.50527%0.274SS..THydrogen-bonded Turntrans-69.3-7.1166.900000114.1E338 E339 F340E338-G342 PolarHBondContact O-N 3.04Å; E339-G342 PolarHBondContact O-N 3.22Å; F340-G342 VanDerWaalsContact C-N 3.32Å; F340-G342 PolarHBondContact O-N 3.38Å
343G97.1Very high95.8Very high18 Ų1853.2 Ų53.219%0.18627%0.271CS..SBendtrans-54143.7174.400000112.7F340 I341 E345 F346 Q347F340-G343 PolarHBondContact O-N 2.71Å; F340-G343 VanDerWaalsContact O-N 3.11Å; I341-G343 PolarHBondContact O-N 2.63Å; G343-E345 VanDerWaalsContact C-OE2 3.3Å; G343-E345 PolarHBondContact O-N 3.41Å; G343-E345 VanDerWaalsContact O-N 3.13Å; G343-F346 PolarHBondContact O-N 2.84Å; G343-F346 VanDerWaalsContact O-N 3.09Å; G343-Q347 WeakPolarHBondContact O-CG 3.42Å; G343-Q347 PolarHBondContact O-NE2 3.05Å
344K96Very high95.7Very high138 Ų13854.3 Ų54.360%0.628%0.277SS*.G310 helixtrans-57.3-30.2-176.268.5-175.5177.5-171.10112.8F346 Q347 Y350K344-F346 PolarHBondContact O-N 3.31Å; K344-Q347 WeakPolarHBondContact O-CB 3.49Å; K344-Q347 PolarHBondContact O-N 3.25Å; K344-Y350 HydrophobicContact CD-CE2 4.45Å; K344-Y350 WeakPolarHBondContact O-CB 3.49Å
345E95.2Very high95.4Very high65 Ų6553.1 Ų53.130%0.30427%0.271SS..G310 helixtrans-60.3-28.3179.457.5-92.9-13500113.3G343G343-E345 VanDerWaalsContact C-OE2 3.3Å; G343-E345 PolarHBondContact O-N 3.41Å; G343-E345 VanDerWaalsContact O-N 3.13Å
346F95.7Very high95.1Very high2 Ų248.4 Ų48.41%0.00925%0.254CS..G310 helixtrans-96.48.8177.7-53.1-64.6000112.8H141 A143 I144 M280 L300 F340 I341 G343 K344H141-F346 HydrophobicContact CB-CD1 4.04Å; H141-F346 HydrophobicContact CB-CE1 4.06Å; H141-F346 AromaticContact ND1-CE1 3.64Å; A143-F346 CarbonylContact C-O 3.59Å; A143-F346 WeakPolarHBondContact CA-O 3.18Å; A143-F346 WeakPolarHBondContact CB-O 3.2Å; I144-F346 HydrophobicContact CD1-CB 3.93Å; I144-F346 HydrophobicContact CD1-CG 4.45Å; I144-F346 HydrophobicContact CG1-CB 4.34Å; I144-F346 PolarHBondContact N-O 3.09Å; M280-F346 HydrophobicContact CE-CB 4.45Å; M280-F346 HydrophobicContact CE-CD1 3.43Å; M280-F346 VanDerWaalsContact CE-CD1 3.43Å; M280-F346 HydrophobicContact CE-CE1 4Å; M280-F346 HydrophobicContact CE-CG 4.23Å; L300-F346 HydrophobicContact CD2-CE1 3.93Å; L300-F346 HydrophobicContact CD2-CZ 4.1Å; F340-F346 HydrophobicContact CD1-CE2 4.02Å; F340-F346 HydrophobicContact CD1-CZ 4.38Å; F340-F346 AromaticContact CE1-CE2 3.65Å; F340-F346 HydrophobicContact CE1-CE2 3.65Å; F340-F346 AromaticContact CE1-CZ 3.57Å; F340-F346 HydrophobicContact CE1-CZ 3.57Å; F340-F346 HydrophobicContact CE2-CE2 4.49Å; F340-F346 AromaticContact CZ-CE2 3.92Å; F340-F346 HydrophobicContact CZ-CE2 3.92Å; F340-F346 AromaticContact CZ-CZ 3.73Å; F340-F346 HydrophobicContact CZ-CZ 3.73Å; F340-F346 WeakPolarHBondContact O-CE2 3.27Å; I341-F346 HydrophobicContact CD1-CD1 4.31Å; I341-F346 HydrophobicContact CD1-CD2 3.96Å; I341-F346 HydrophobicContact CD1-CE1 4.42Å; I341-F346 HydrophobicContact CD1-CE2 4.09Å; I341-F346 HydrophobicContact CD1-CG 4.07Å; I341-F346 HydrophobicContact CD1-CZ 4.32Å; I341-F346 HydrophobicContact CG1-CD2 4.45Å; G343-F346 PolarHBondContact O-N 2.84Å; G343-F346 VanDerWaalsContact O-N 3.09Å; K344-F346 PolarHBondContact O-N 3.31Å
347Q93.3Very high94.7Very high79 Ų7951.1 Ų51.137%0.36926%0.264SS..SBendtrans-99.6140.9-178.5-53.5-52.4-42.600111.7I341 G343 K344 G349 Y350 Q351I341-Q347 PolarHBondContact O-NE2 3.02Å; G343-Q347 WeakPolarHBondContact O-CG 3.42Å; G343-Q347 PolarHBondContact O-NE2 3.05Å; K344-Q347 WeakPolarHBondContact O-CB 3.49Å; K344-Q347 PolarHBondContact O-N 3.25Å; Q347-G349 VanDerWaalsContact C-N 3.32Å; Q347-G349 PolarHBondContact O-N 3.44Å; Q347-Y350 PolarHBondContact O-N 3.41Å; Q347-Y350 VanDerWaalsContact O-N 3.12Å; Q347-Q351 PolarHBondContact O-N 2.91Å; Q347-Q351 VanDerWaalsContact O-N 3.13Å
348R90.6Very high94.4Very high44 Ų4450.9 Ų50.917%0.16626%0.262CS..Hα-helixtrans-52.1-47.3-178.1-166.3169.6167.7-163.2-10.7113.8Y21 E24 I25 Y29 Y350 Q351 A352Y21-R348 HydrophobicContact CE1-CG 4.3Å; Y21-R348 HydrophobicContact CE2-CG 4.45Å; Y21-R348 WeakPolarHBondContact OH-CA 3.39Å; Y21-R348 WeakPolarHBondContact OH-CB 3.33Å; Y21-R348 WeakPolarHBondContact OH-CD 3.49Å; Y21-R348 WeakPolarHBondContact OH-CG 3.24Å; E24-R348 VanDerWaalsContact C-NH2 3.29Å; E24-R348 VanDerWaalsContact CD-NH1 3.31Å; E24-R348 PolarHBondContact O-NH2 3.26Å; E24-R348 IonicContact OE1-CZ 3.76Å; E24-R348 IonicContact OE1-NH1 3.8Å; E24-R348 PolarHBondContact OE1-NH1 3.12Å; E24-R348 IonicContact OE1-NH2 3.3Å; I25-R348 HydrophobicContact CD1-CG 4.06Å; I25-R348 HydrophobicContact CG1-CG 3.73Å; Y29-R348 HydrophobicContact CE2-CG 4.16Å; R348-Y350 VanDerWaalsContact C-N 3.27Å; R348-Y350 PolarHBondContact O-N 3.05Å; R348-Q351 WeakPolarHBondContact O-CB 3.28Å; R348-Q351 PolarHBondContact O-N 2.81Å; R348-A352 WeakPolarHBondContact O-CB 3.47Å; R348-A352 PolarHBondContact O-N 3.21Å
349G91.1Very high93.9Very high41 Ų4147.5 Ų47.542%0.42325%0.246SC..Hα-helixtrans-64.1-33.5-176.500000112.7Q347 K353Q347-G349 VanDerWaalsContact C-N 3.32Å; Q347-G349 PolarHBondContact O-N 3.44Å; G349-K353 PolarHBondContact O-N 3.2Å; G349-K353 VanDerWaalsContact O-N 3.12Å
350Y93.1Very high93.3Very high83 Ų8346.1 Ų46.133%0.32524%0.24SC..Hα-helixtrans-72.1-42.4175.1-168.2-109.8000111.3K344 Q347 R348 A352 K353 L354K344-Y350 HydrophobicContact CD-CE2 4.45Å; K344-Y350 WeakPolarHBondContact O-CB 3.49Å; Q347-Y350 PolarHBondContact O-N 3.41Å; Q347-Y350 VanDerWaalsContact O-N 3.12Å; R348-Y350 VanDerWaalsContact C-N 3.27Å; R348-Y350 PolarHBondContact O-N 3.05Å; Y350-A352 VanDerWaalsContact C-N 3.32Å; Y350-A352 PolarHBondContact O-N 3.41Å; Y350-K353 WeakPolarHBondContact O-CB 3.29Å; Y350-K353 PolarHBondContact O-N 3.46Å; Y350-L354 HydrophobicContact CD1-CD1 3.97Å; Y350-L354 HydrophobicContact CD1-CG 4.46Å; Y350-L354 HydrophobicContact CE1-CD1 3.69Å; Y350-L354 HydrophobicContact CE1-CG 4.26Å; Y350-L354 WeakPolarHBondContact O-CG 3.28Å; Y350-L354 PolarHBondContact O-N 3.16Å; Y350-L354 VanDerWaalsContact O-N 3.08Å
351Q93.6Very high92.6Very high4 Ų447.5 Ų47.52%0.01925%0.247CC..Hα-helixtrans-58.8-44.4174.5-144.6-166.838.300111.6I25 I140 H141 A143 Q347 R348 K353 L354 Y355I25-Q351 HydrophobicContact CD1-CB 4.04Å; I25-Q351 HydrophobicContact CD1-CG 4.38Å; I140-Q351 HydrophobicContact CG2-CB 4.5Å; I140-Q351 HydrophobicContact CG2-CG 3.28Å; H141-Q351 PolarHBondContact O-NE2 3.34Å; A143-Q351 HydrophobicContact CB-CB 4.41Å; Q347-Q351 PolarHBondContact O-N 2.91Å; Q347-Q351 VanDerWaalsContact O-N 3.13Å; R348-Q351 WeakPolarHBondContact O-CB 3.28Å; R348-Q351 PolarHBondContact O-N 2.81Å; Q351-K353 VanDerWaalsContact C-N 3.35Å; Q351-K353 PolarHBondContact O-N 3.04Å; Q351-L354 PolarHBondContact O-N 3.41Å; Q351-Y355 HydrophobicContact CG-CD2 4.2Å; Q351-Y355 HydrophobicContact CG-CE2 3.8Å; Q351-Y355 VanDerWaalsContact O-CD2 3.31Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.44Å; Q351-Y355 PolarHBondContact O-N 3.18Å
352A92.7Very high91.6Very high3 Ų347.7 Ų47.73%0.02525%0.248CC..Hα-helixtrans-58.3-43.9175.300000112.4I25 Y29 R348 Y350 L354 Y355 S356I25-A352 HydrophobicContact CG2-CB 3.72Å; Y29-A352 HydrophobicContact CD1-CB 4.16Å; Y29-A352 HydrophobicContact CD2-CB 3.63Å; Y29-A352 HydrophobicContact CE2-CB 4.19Å; Y29-A352 HydrophobicContact CG-CB 3.6Å; R348-A352 WeakPolarHBondContact O-CB 3.47Å; R348-A352 PolarHBondContact O-N 3.21Å; Y350-A352 VanDerWaalsContact C-N 3.32Å; Y350-A352 PolarHBondContact O-N 3.41Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 3.3Å; A352-Y355 PolarHBondContact O-N 3.24Å; A352-S356 WeakPolarHBondContact O-CB 3.22Å; A352-S356 PolarHBondContact O-N 2.68Å
353K93.6Very high90.4Very high123 Ų12350.3 Ų50.354%0.53525%0.247SC..Hα-helixtrans-60.2-41.8175.6-179.8176.7177.3174.20112.1G349 Y350 Q351 S356 H357G349-K353 PolarHBondContact O-N 3.2Å; G349-K353 VanDerWaalsContact O-N 3.12Å; Y350-K353 WeakPolarHBondContact O-CB 3.29Å; Y350-K353 PolarHBondContact O-N 3.46Å; Q351-K353 VanDerWaalsContact C-N 3.35Å; Q351-K353 PolarHBondContact O-N 3.04Å; K353-S356 PolarHBondContact O-N 2.94Å; K353-H357 PolarHBondContact O-N 2.98Å; K353-H357 PolarHBondContact O-ND1 2.96Å; K353-H357 VanDerWaalsContact O-ND1 3.07Å
354L94.5Very high89.2Confident26 Ų2653.8 Ų53.814%0.13627%0.268CS..Hα-helixtrans-68-46.1179.2-64.9176.9000111.9I140 Y350 Q351 A352 S356 H357 I358I140-L354 HydrophobicContact CB-CD1 4.41Å; I140-L354 HydrophobicContact CD1-CB 3.7Å; I140-L354 HydrophobicContact CG1-CB 3.97Å; I140-L354 HydrophobicContact CG1-CD1 4.01Å; I140-L354 HydrophobicContact CG2-CD1 4.21Å; Y350-L354 HydrophobicContact CD1-CD1 3.97Å; Y350-L354 HydrophobicContact CD1-CG 4.46Å; Y350-L354 HydrophobicContact CE1-CD1 3.69Å; Y350-L354 HydrophobicContact CE1-CG 4.26Å; Y350-L354 WeakPolarHBondContact O-CG 3.28Å; Y350-L354 PolarHBondContact O-N 3.16Å; Y350-L354 VanDerWaalsContact O-N 3.08Å; Q351-L354 PolarHBondContact O-N 3.41Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 3.3Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 2.83Å; L354-H357 PolarHBondContact O-N 2.92Å; L354-I358 PolarHBondContact O-N 3.49Å
355Y93.9Very high87.6Confident2 Ų252 Ų521%0.00827%0.273CS..Hα-helixtrans-61.6-38.1174-75.7-60000112.5I22 I25 F26 L84 I86 V116 I140 Q351 A352 H357 I358 I359I22-Y355 HydrophobicContact CG1-CE2 4.32Å; I25-Y355 HydrophobicContact CG2-CD2 4.44Å; F26-Y355 HydrophobicContact CE2-CD1 4.14Å; F26-Y355 HydrophobicContact CE2-CD2 4.17Å; F26-Y355 AromaticContact CE2-CG 3.85Å; F26-Y355 HydrophobicContact CE2-CG 3.85Å; F26-Y355 HydrophobicContact CZ-CD1 4.33Å; F26-Y355 HydrophobicContact CZ-CG 4.38Å; L84-Y355 HydrophobicContact CD2-CD1 4.11Å; L84-Y355 HydrophobicContact CD2-CE1 4.09Å; I86-Y355 HydrophobicContact CD1-CE1 4.18Å; I86-Y355 WeakPolarHBondContact CD1-OH 3.45Å; V116-Y355 HydrophobicContact CG2-CE1 4.34Å; I140-Y355 HydrophobicContact CD1-CD1 3.91Å; I140-Y355 HydrophobicContact CD1-CE1 3.84Å; I140-Y355 HydrophobicContact CD1-CG 4.28Å; I140-Y355 HydrophobicContact CG2-CE2 4.16Å; Q351-Y355 HydrophobicContact CG-CD2 4.2Å; Q351-Y355 HydrophobicContact CG-CE2 3.8Å; Q351-Y355 VanDerWaalsContact O-CD2 3.31Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.44Å; Q351-Y355 PolarHBondContact O-N 3.18Å; A352-Y355 PolarHBondContact O-N 3.24Å; Y355-H357 VanDerWaalsContact C-N 3.34Å; Y355-H357 PolarHBondContact O-N 3.41Å; Y355-I358 HydrophobicContact CD1-CD1 4.43Å; Y355-I358 WeakPolarHBondContact O-CB 3.5Å; Y355-I358 PolarHBondContact O-N 2.73Å; Y355-I358 VanDerWaalsContact O-N 3.17Å; Y355-I359 VanDerWaalsContact O-CG1 3.32Å; Y355-I359 WeakPolarHBondContact O-CG1 3.43Å; Y355-I359 PolarHBondContact O-N 3.23Å
356S91.2Very high85.6Confident34 Ų3455.3 Ų55.324%0.23830%0.298CS..Hα-helixtrans-57-45.9175.5-169.30000112A352 K353 L354 I358 I359 Q360A352-S356 WeakPolarHBondContact O-CB 3.22Å; A352-S356 PolarHBondContact O-N 2.68Å; K353-S356 PolarHBondContact O-N 2.94Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 2.83Å; S356-I358 VanDerWaalsContact C-N 3.34Å; S356-I358 PolarHBondContact O-N 3.33Å; S356-I359 PolarHBondContact O-N 3.49Å; S356-Q360 VanDerWaalsContact O-CG 3.29Å; S356-Q360 WeakPolarHBondContact O-CG 3.29Å; S356-Q360 PolarHBondContact O-N 3.33Å
357H90.8Very high85.1Confident76 Ų7658 Ų5835%0.35231%0.312SS..Hα-helixtrans-61.1-41.5176.5-67.7128.8000112.3K353 L354 Y355 I359 H361K353-H357 PolarHBondContact O-N 2.98Å; K353-H357 PolarHBondContact O-ND1 2.96Å; K353-H357 VanDerWaalsContact O-ND1 3.07Å; L354-H357 PolarHBondContact O-N 2.92Å; Y355-H357 VanDerWaalsContact C-N 3.34Å; Y355-H357 PolarHBondContact O-N 3.41Å; H357-I359 VanDerWaalsContact C-N 3.35Å; H357-I359 PolarHBondContact O-N 3.28Å; H357-H361 PolarHBondContact O-ND1 3.13Å
358I91.3Very high84.7Confident0 Ų056.9 Ų56.90%031%0.309CS..Hα-helixtrans-59.7-48.3176.4-67.3175.7000110.2L84 F113 A114 V116 Q138 I140 L354 Y355 S356 H361L84-I358 HydrophobicContact CD1-CD1 4.41Å; L84-I358 HydrophobicContact CD1-CG2 4.18Å; F113-I358 HydrophobicContact CE2-CG2 3.45Å; F113-I358 VanDerWaalsContact CE2-CG2 3.45Å; F113-I358 HydrophobicContact CZ-CG2 3.58Å; A114-I358 HydrophobicContact CB-CG2 3.79Å; V116-I358 HydrophobicContact CG2-CD1 3.55Å; Q138-I358 HydrophobicContact CB-CD1 4.22Å; Q138-I358 VanDerWaalsContact CD-CG1 3.46Å; Q138-I358 HydrophobicContact CG-CD1 4.17Å; Q138-I358 HydrophobicContact CG-CG1 4.23Å; I140-I358 HydrophobicContact CD1-CD1 3.72Å; L354-I358 PolarHBondContact O-N 3.49Å; Y355-I358 HydrophobicContact CD1-CD1 4.43Å; Y355-I358 WeakPolarHBondContact O-CB 3.5Å; Y355-I358 PolarHBondContact O-N 2.73Å; Y355-I358 VanDerWaalsContact O-N 3.17Å; S356-I358 VanDerWaalsContact C-N 3.34Å; S356-I358 PolarHBondContact O-N 3.33Å; I358-H361 PolarHBondContact O-N 3.5Å
359I87.7Confident84.4Confident10 Ų1057.6 Ų57.65%0.05132%0.317CS..Hα-helixtrans-69.5-36.9-174.8-64.1170.1000112.1M1 F26 L30 L61 Y355 S356 H357 H361 I362 H363M1-I359 HydrophobicContact CE-CD1 4.18Å; M1-I359 HydrophobicContact SD-CG2 4.35Å; F26-I359 HydrophobicContact CD1-CD1 4.19Å; F26-I359 HydrophobicContact CE1-CD1 3.42Å; F26-I359 VanDerWaalsContact CE1-CD1 3.42Å; F26-I359 HydrophobicContact CE1-CG1 4.48Å; F26-I359 HydrophobicContact CE2-CD1 4.4Å; F26-I359 HydrophobicContact CZ-CD1 3.56Å; L30-I359 HydrophobicContact CD1-CD1 3.35Å; L30-I359 HydrophobicContact CD2-CD1 4.47Å; L30-I359 HydrophobicContact CG-CD1 4.32Å; L61-I359 HydrophobicContact CD2-CD1 4.39Å; L61-I359 HydrophobicContact CD2-CG1 4.19Å; Y355-I359 VanDerWaalsContact O-CG1 3.32Å; Y355-I359 WeakPolarHBondContact O-CG1 3.43Å; Y355-I359 PolarHBondContact O-N 3.23Å; S356-I359 PolarHBondContact O-N 3.49Å; H357-I359 VanDerWaalsContact C-N 3.35Å; H357-I359 PolarHBondContact O-N 3.28Å; I359-H361 PolarHBondContact O-N 3.4Å; I359-H361 VanDerWaalsContact O-N 3.16Å; I359-I362 HydrophobicContact CB-CD1 4.44Å; I359-I362 HydrophobicContact CG1-CD1 4.32Å; I359-I362 HydrophobicContact CG2-CD1 4.5Å; I359-I362 WeakPolarHBondContact O-CA 3.44Å; I359-I362 VanDerWaalsContact O-CB 3.24Å; I359-I362 WeakPolarHBondContact O-CB 3.36Å; I359-I362 PolarHBondContact O-N 2.75Å; I359-H363 PolarHBondContact O-CD2 3.25Å; I359-H363 PolarHBondContact O-N 3.17Å
360Q86.6Confident84Confident108 Ų10858.6 Ų58.651%0.50531%0.311SS..Hα-helixtrans-55.2-34.5175.7-77.5171.7-5.400112.4S356 H363 S364S356-Q360 VanDerWaalsContact O-CG 3.29Å; S356-Q360 WeakPolarHBondContact O-CG 3.29Å; S356-Q360 PolarHBondContact O-N 3.33Å; Q360-H363 PolarHBondContact O-N 3.1Å; Q360-S364 PolarHBondContact O-N 2.74Å
361H82.6Confident83.4Confident88 Ų8857.1 Ų57.141%0.40731%0.31SS..Hα-helixtrans-73-30.7177.1-70.280.8000113.1Q136 H357 I358 I359 H363 S364 S365Q136-H361 PolarHBondContact NE2-CD2 3.07Å; H357-H361 PolarHBondContact O-ND1 3.13Å; I358-H361 PolarHBondContact O-N 3.5Å; I359-H361 PolarHBondContact O-N 3.4Å; I359-H361 VanDerWaalsContact O-N 3.16Å; H361-H363 VanDerWaalsContact C-N 3.32Å; H361-S364 WeakPolarHBondContact CA-OG 3.33Å; H361-S364 PolarHBondContact O-N 3.4Å; H361-S364 PolarHBondContact O-OG 3.07Å; H361-S365 WeakPolarHBondContact O-CB 3.5Å; H361-S365 PolarHBondContact O-N 2.82Å; H361-S365 VanDerWaalsContact O-N 3.07Å; H361-S365 PolarHBondContact O-OG 3.25Å
362I76.1Confident82.7Confident9 Ų960.6 Ų60.65%0.04633%0.329CS..Hα-helixtrans-59.5-48.7172.4-54.7174.6000109.1L61 P82 F113 I359 S364 S365 V366L61-I362 HydrophobicContact CD1-CD1 3.78Å; L61-I362 HydrophobicContact CD2-CD1 4.06Å; L61-I362 HydrophobicContact CG-CD1 4.45Å; P82-I362 HydrophobicContact CB-CG2 3.89Å; P82-I362 HydrophobicContact CG-CG2 3.53Å; F113-I362 HydrophobicContact CD1-CD1 4.42Å; F113-I362 HydrophobicContact CD1-CG1 4.44Å; F113-I362 HydrophobicContact CD2-CD1 4.47Å; F113-I362 HydrophobicContact CD2-CG1 3.86Å; F113-I362 HydrophobicContact CE1-CD1 3.6Å; F113-I362 HydrophobicContact CE1-CG1 4.01Å; F113-I362 HydrophobicContact CE2-CD1 3.65Å; F113-I362 HydrophobicContact CE2-CG1 3.33Å; F113-I362 HydrophobicContact CG-CG1 4.42Å; F113-I362 HydrophobicContact CZ-CD1 3.18Å; F113-I362 HydrophobicContact CZ-CG1 3.47Å; F113-I362 VanDerWaalsContact CZ-CG1 3.47Å; I359-I362 HydrophobicContact CB-CD1 4.44Å; I359-I362 HydrophobicContact CG1-CD1 4.32Å; I359-I362 HydrophobicContact CG2-CD1 4.5Å; I359-I362 WeakPolarHBondContact O-CA 3.44Å; I359-I362 VanDerWaalsContact O-CB 3.24Å; I359-I362 WeakPolarHBondContact O-CB 3.36Å; I359-I362 PolarHBondContact O-N 2.75Å; I362-S364 PolarHBondContact O-N 3Å; I362-S365 PolarHBondContact O-N 3.42Å; I362-S365 VanDerWaalsContact O-N 3.1Å; I362-V366 HydrophobicContact CG2-CG2 4.34Å; I362-V366 WeakPolarHBondContact O-CG2 3.26Å; I362-V366 PolarHBondContact O-N 3.23Å
363H72.2Confident82Confident104 Ų10464.7 Ų64.748%0.48135%0.351SS..Hα-helixtrans-62.7-26.9178.9-75.9-76.6000114.1P59 I359 Q360 H361P59-H363 WeakPolarHBondContact CG-CE1 3.39Å; I359-H363 PolarHBondContact O-CD2 3.25Å; I359-H363 PolarHBondContact O-N 3.17Å; Q360-H363 PolarHBondContact O-N 3.1Å; H361-H363 VanDerWaalsContact C-N 3.32Å
364S71.1Confident81.1Confident90 Ų9060.2 Ų60.263%0.62934%0.337SS*.Hα-helixtrans-86.6-15.5176.666.40000114.2Q360 H361 I362Q360-S364 PolarHBondContact O-N 2.74Å; H361-S364 WeakPolarHBondContact CA-OG 3.33Å; H361-S364 PolarHBondContact O-N 3.4Å; H361-S364 PolarHBondContact O-OG 3.07Å; I362-S364 PolarHBondContact O-N 3Å
365S62.2Low80Confident102 Ų10263.1 Ų63.171%0.71335%0.354SS*.Hα-helixtrans-104.4-9.4-174.8-53.60000113.5H361 I362H361-S365 WeakPolarHBondContact O-CB 3.5Å; H361-S365 PolarHBondContact O-N 2.82Å; H361-S365 VanDerWaalsContact O-N 3.07Å; H361-S365 PolarHBondContact O-OG 3.25Å; I362-S365 PolarHBondContact O-N 3.42Å; I362-S365 VanDerWaalsContact O-N 3.1Å
366V54.1Low78.7Confident134 Ų13468.6 Ų68.681%0.81239%0.385SS*.  trans-103.60171.4179.80000107.9I362I362-V366 HydrophobicContact CG2-CG2 4.34Å; I362-V366 WeakPolarHBondContact O-CG2 3.26Å; I362-V366 PolarHBondContact O-N 3.23Å

Retrieved 366 of 366 residues in 458.7 ms (Link to these results)

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