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Uncharacterized epimerase/dehydratase SAV0553

AlphaFold DB (Q2G0M5), UniProt , Accession Q99W56, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 321 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M91.3Very high96.2Very high43 Ų4328.1 Ų28.121%0.21215%0.149CC..  0153.30-55.8178.6-82.600108.7I4 Y25 S71 M73 M226 E227M1-I4 HydrophobicContact CB-CD1 4.04Å; M1-I4 HydrophobicContact CB-CG1 4Å; M1-I4 HydrophobicContact CE-CD1 4.35Å; M1-I4 HydrophobicContact SD-CD1 4.2Å; M1-I4 HydrophobicContact SD-CG1 4.42Å; M1-Y25 HydrophobicContact CE-CE2 4.08Å; M1-Y25 VanDerWaalsContact CE-OH 3.23Å; M1-Y25 WeakPolarHBondContact CE-OH 3.45Å; M1-S71 WeakPolarHBondContact CB-OG 3.11Å; M1-S71 WeakPolarHBondContact CG-OG 3.21Å; M1-M73 HydrophobicContact CE-CE 3.55Å; M1-M73 HydrophobicContact SD-CE 3.27Å; M1-M73 WeakPolarHBondContact SD-CE 2.99Å; M1-M226 HydrophobicContact CE-CB 3.43Å; M1-M226 VanDerWaalsContact CE-CB 3.43Å; M1-M226 HydrophobicContact CE-CG 4.36Å; M1-M226 HydrophobicContact CG-CE 4.34Å; M1-M226 HydrophobicContact SD-CB 3.57Å; M1-M226 VanDerWaalsContact SD-CB 3.57Å; M1-M226 HydrophobicContact SD-CE 3.44Å; M1-M226 WeakPolarHBondContact SD-CE 3.44Å; M1-M226 HydrophobicContact SD-CG 4.11Å; M1-E227 HydrophobicContact CE-CG 4.18Å
2K93Very high95.5Very high157 Ų15730.9 Ų30.968%0.68316%0.16SC*.  trans-128.2-49.8176.1-48.7173.9179.6172.80112.6N29 D70K2-N29 VanDerWaalsContact O-CB 3.3Å; K2-N29 WeakPolarHBondContact O-CB 3.5Å; K2-D70 WeakPolarHBondContact CA-OD2 3.39Å; K2-D70 WeakPolarHBondContact CB-OD2 3.27Å; K2-D70 PolarHBondContact N-OD1 3.33Å; K2-D70 PolarHBondContact N-OD2 3.48Å
3K98.5Very high95.3Very high53 Ų5330.9 Ų30.923%0.2316%0.16CC..SBendtrans-119.5115.8175.1-61.8-16483.7-176.40109.9N29 F67 E68 D70 S71K3-N29 WeakPolarHBondContact CA-O 3.24Å; K3-F67 HydrophobicContact CB-CD1 4.43Å; K3-F67 HydrophobicContact CB-CE1 3.9Å; K3-F67 HydrophobicContact CB-CZ 4.44Å; K3-F67 WeakPolarHBondContact CE-O 3.49Å; K3-F67 PolarHBondContact NZ-O 3.46Å; K3-E68 HydrophobicContact CD-CB 4.46Å; K3-D70 PolarHBondContact N-OD2 2.89Å; K3-D70 PolarHBondContact O-N 3.28Å; K3-S71 PolarHBondContact O-N 2.71Å
4I98.8Very high95.3Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-115.1124.3-167.9-53169.4000109.1M1 I6 C21 Y25 N29 V30 L31 M73M1-I4 HydrophobicContact CB-CD1 4.04Å; M1-I4 HydrophobicContact CB-CG1 4Å; M1-I4 HydrophobicContact CE-CD1 4.35Å; M1-I4 HydrophobicContact SD-CD1 4.2Å; M1-I4 HydrophobicContact SD-CG1 4.42Å; I4-I6 HydrophobicContact CG2-CD1 4.35Å; I4-I6 HydrophobicContact CG2-CG1 3.88Å; I4-C21 HydrophobicContact CD1-CB 4.37Å; I4-Y25 HydrophobicContact CD1-CD2 3.28Å; I4-Y25 HydrophobicContact CD1-CE2 3.54Å; I4-Y25 HydrophobicContact CD1-CG 3.9Å; I4-N29 PolarHBondContact N-O 3.26Å; I4-V30 CarbonylContact O-C 3.6Å; I4-V30 WeakPolarHBondContact O-CA 3.45Å; I4-L31 PolarHBondContact O-N 3.39Å; I4-M73 HydrophobicContact CD1-CE 4.27Å; I4-M73 HydrophobicContact CG2-CE 3.84Å; I4-M73 HydrophobicContact CG2-CG 4.14Å; I4-M73 HydrophobicContact CG2-SD 4.04Å
5M98.8Very high95.3Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-98.9131.9166.7-175.3-178.5179.600109.4T7 L31 T33 L52 L63 V64 A69 S71 L72 M73M5-T7 HydrophobicContact CE-CG2 4.31Å; M5-L31 CarbonylContact C-O 3.49Å; M5-L31 WeakPolarHBondContact CA-O 3.34Å; M5-L31 HydrophobicContact CG-CD2 4.3Å; M5-L31 HydrophobicContact CG-CG 4.48Å; M5-T33 HydrophobicContact CE-CG2 3.75Å; M5-L52 HydrophobicContact CE-CD2 3.5Å; M5-L63 HydrophobicContact CE-CB 3.72Å; M5-L63 HydrophobicContact CE-CD1 3.91Å; M5-L63 HydrophobicContact CE-CG 4.49Å; M5-L63 HydrophobicContact SD-CB 4.3Å; M5-V64 HydrophobicContact SD-CG2 3.5Å; M5-V64 VanDerWaalsContact SD-CG2 3.5Å; M5-A69 HydrophobicContact CB-CB 4.18Å; M5-S71 PolarHBondContact N-O 2.83Å; M5-L72 HydrophobicContact CB-CD1 3.92Å; M5-L72 HydrophobicContact CG-CD1 3.9Å; M5-L72 WeakPolarHBondContact O-CA 3.37Å; M5-L72 HydrophobicContact SD-CD1 3.96Å; M5-M73 PolarHBondContact O-N 2.69Å
6I98.9Very high95.3Very high0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans-121.3122.5178.7-54.3179.2000108.4I4 A9 L17 V18 C21 V30 L31 T33 M73 M75I4-I6 HydrophobicContact CG2-CD1 4.35Å; I4-I6 HydrophobicContact CG2-CG1 3.88Å; I6-A9 HydrophobicContact CG2-CB 4.43Å; I6-L17 HydrophobicContact CD1-CD2 4.28Å; I6-L17 HydrophobicContact CD1-CG 4.04Å; I6-L17 HydrophobicContact CG2-CD2 4.39Å; I6-V18 HydrophobicContact CB-CG2 4.3Å; I6-V18 HydrophobicContact CD1-CG2 3.81Å; I6-V18 HydrophobicContact CG2-CG2 4.32Å; I6-C21 HydrophobicContact CD1-CB 4.4Å; I6-V30 HydrophobicContact CD1-CG1 3.82Å; I6-V30 HydrophobicContact CG1-CG1 4.34Å; I6-L31 PolarHBondContact N-O 2.74Å; I6-T33 PolarHBondContact O-N 2.56Å; I6-T33 PolarHBondContact O-OG1 3.5Å; I6-M73 WeakPolarHBondContact CA-O 3.15Å; I6-M73 HydrophobicContact CD1-SD 4.5Å; I6-M73 HydrophobicContact CG1-CB 4.27Å; I6-M73 HydrophobicContact CG1-SD 4.49Å; I6-M75 HydrophobicContact CG2-CG 4.08Å
7T98.8Very high95.4Very high0 Ų025.6 Ų25.60%013%0.133CC..EExtended strand (participates in β ladder)trans-102.5147.3175.371.70000111.2M5 A9 T33 L52 V54 L72 M73 H74 M75 A76M5-T7 HydrophobicContact CE-CG2 4.31Å; T7-A9 VanDerWaalsContact C-N 3.31Å; T7-T33 CarbonylContact C-O 3.12Å; T7-T33 VanDerWaalsContact CA-OG1 3.27Å; T7-T33 WeakPolarHBondContact CA-OG1 3.3Å; T7-L52 HydrophobicContact CG2-CD2 3.98Å; T7-V54 HydrophobicContact CG2-CG1 4.23Å; T7-L72 HydrophobicContact CG2-CD1 4.01Å; T7-M73 PolarHBondContact N-O 2.95Å; T7-M73 VanDerWaalsContact N-O 3.1Å; T7-H74 WeakPolarHBondContact OG1-CA 3.34Å; T7-H74 PolarHBondContact OG1-ND1 3.11Å; T7-M75 CarbonylContact O-C 3.5Å; T7-M75 VanDerWaalsContact O-CA 3.27Å; T7-M75 WeakPolarHBondContact O-CA 3.45Å; T7-M75 WeakPolarHBondContact O-CB 3.4Å; T7-M75 PolarHBondContact O-N 3.32Å; T7-A76 PolarHBondContact O-N 3.35Å
8G97.3Very high95.5Very high10 Ų1024.2 Ų24.210%0.10313%0.125CC..SBendtrans71.532.2-173.500000111.6L10 G11 T33 D34G8-L10 PolarHBondContact O-N 2.89Å; G8-G11 PolarHBondContact O-N 2.94Å; G8-T33 PolarHBondContact N-O 3.32Å; G8-D34 WeakPolarHBondContact CA-OD2 2.98Å
9A97.3Very high95.6Very high0 Ų026.2 Ų26.20%014%0.138CC..THydrogen-bonded Turntrans-66.7-15.6-172.200000113.8I6 T7 G14 T15 V18 A32 T33 D34I6-A9 HydrophobicContact CG2-CB 4.43Å; T7-A9 VanDerWaalsContact C-N 3.31Å; A9-G14 CarbonylContact O-C 3.05Å; A9-T15 VanDerWaalsContact O-CA 3.3Å; A9-T15 WeakPolarHBondContact O-CA 3.41Å; A9-T15 PolarHBondContact O-N 3.27Å; A9-T15 PolarHBondContact O-OG1 2.88Å; A9-V18 HydrophobicContact CB-CG2 3.88Å; A9-A32 HydrophobicContact CB-CB 3.75Å; A9-T33 WeakPolarHBondContact CB-O 3.42Å; A9-T33 PolarHBondContact N-O 3.37Å; A9-D34 PolarHBondContact N-OD2 3.48Å
10L94.7Very high95.7Very high13 Ų1328.7 Ų28.77%0.06815%0.148CC..THydrogen-bonded Turntrans-95.13.7178-53.7-179.7000112.9G8 D34 R36 P38 V44 F49 K177G8-L10 PolarHBondContact O-N 2.89Å; L10-D34 HydrophobicContact CB-CB 4.2Å; L10-D34 WeakPolarHBondContact CB-OD2 3.29Å; L10-D34 HydrophobicContact CD1-CB 3.74Å; L10-D34 HydrophobicContact CG-CB 3.62Å; L10-D34 PolarHBondContact N-OD2 2.94Å; L10-R36 HydrophobicContact CD1-CB 4.3Å; L10-R36 WeakPolarHBondContact CD1-O 3.4Å; L10-P38 HydrophobicContact CD1-CB 4.45Å; L10-P38 HydrophobicContact CD2-CB 3.85Å; L10-V44 HydrophobicContact CD2-CB 4.05Å; L10-V44 HydrophobicContact CD2-CG1 4.02Å; L10-V44 HydrophobicContact CD2-CG2 4.05Å; L10-F49 HydrophobicContact CD1-CZ 4.4Å; L10-F49 HydrophobicContact CD2-CE2 4.33Å; L10-F49 HydrophobicContact CG-CE2 4.43Å; L10-K177 PolarHBondContact O-NZ 3.15Å
11G90.6Very high95.8Very high33 Ų3327.3 Ų27.334%0.3414%0.141SC..SBendtrans-67.8175.6167.800000112.8G8 T15G8-G11 PolarHBondContact O-N 2.94Å; G11-T15 WeakPolarHBondContact O-CB 3.27Å; G11-T15 PolarHBondContact O-N 3.45Å; G11-T15 PolarHBondContact O-OG1 3.5Å
12Q87.5Confident96.1Very high62 Ų6226 Ų2629%0.2913%0.134SC..Hα-helixtrans-60.8-55.9178.4-166.6-173.6-13.100110.9M215Q12-M215 HydrophobicContact CB-CE 4.48Å; Q12-M215 HydrophobicContact CG-CE 3.67Å
13I93.9Very high96.3Very high31 Ų3124.9 Ų24.916%0.15913%0.131CC..Hα-helixtrans-66.6-44.1177.4-49.8171.7000110.8T15 E16 L17 M75 F169 L172 M215 I219 I222I13-T15 VanDerWaalsContact C-N 3.32Å; I13-T15 PolarHBondContact O-N 3.37Å; I13-E16 PolarHBondContact O-N 3.26Å; I13-L17 VanDerWaalsContact O-CB 3.23Å; I13-L17 WeakPolarHBondContact O-CB 3.43Å; I13-L17 PolarHBondContact O-N 2.96Å; I13-M75 HydrophobicContact CB-CE 3.69Å; I13-M75 HydrophobicContact CD1-CE 4.01Å; I13-M75 HydrophobicContact CG1-CE 4.47Å; I13-M75 HydrophobicContact CG2-CE 3.37Å; I13-F169 HydrophobicContact CD1-CD2 3.93Å; I13-F169 HydrophobicContact CD1-CE2 3.95Å; I13-L172 HydrophobicContact CD1-CD1 3.51Å; I13-L172 HydrophobicContact CG1-CD1 3.64Å; I13-M215 HydrophobicContact CB-SD 4.44Å; I13-M215 HydrophobicContact CG1-CE 4.15Å; I13-M215 HydrophobicContact CG1-SD 4.11Å; I13-M215 HydrophobicContact CG2-SD 4.44Å; I13-I219 HydrophobicContact CG2-CD1 3.64Å; I13-I222 HydrophobicContact CG2-CD1 3.79Å
14G95.6Very high96.3Very high1 Ų126.3 Ų26.31%0.0114%0.14CC..Hα-helixtrans-58.6-40.2-175.800000113.5A9 L17 V18A9-G14 CarbonylContact O-C 3.05Å; G14-L17 PolarHBondContact O-N 3.48Å; G14-V18 VanDerWaalsContact O-CG2 3.3Å; G14-V18 WeakPolarHBondContact O-CG2 3.37Å; G14-V18 PolarHBondContact O-N 2.78Å
15T94.3Very high96.3Very high7 Ų727.8 Ų27.84%0.04315%0.146CC..Hα-helixtrans-63.8-48.8-178.1-57.60000110.2A9 G11 I13 V19 P43 V44 K177A9-T15 VanDerWaalsContact O-CA 3.3Å; A9-T15 WeakPolarHBondContact O-CA 3.41Å; A9-T15 PolarHBondContact O-N 3.27Å; A9-T15 PolarHBondContact O-OG1 2.88Å; G11-T15 WeakPolarHBondContact O-CB 3.27Å; G11-T15 PolarHBondContact O-N 3.45Å; G11-T15 PolarHBondContact O-OG1 3.5Å; I13-T15 VanDerWaalsContact C-N 3.32Å; I13-T15 PolarHBondContact O-N 3.37Å; T15-V19 WeakPolarHBondContact O-CG2 3.14Å; T15-V19 PolarHBondContact O-N 3.05Å; T15-P43 HydrophobicContact CG2-CG 3.93Å; T15-V44 HydrophobicContact CG2-CG2 4.21Å; T15-K177 PolarHBondContact OG1-NZ 3.38Å
16E95Very high96.2Very high25 Ų2529.2 Ų29.212%0.11716%0.161CC..Hα-helixtrans-72.7-35.2-177.8-60.9-173.3-134.100111.4I13 V19 K20 S174 M215 I219I13-E16 PolarHBondContact O-N 3.26Å; E16-V19 PolarHBondContact O-N 3.13Å; E16-K20 PolarHBondContact O-N 3.24Å; E16-S174 PolarHBondContact OE1-OG 3.03Å; E16-M215 HydrophobicContact CB-CG 4.42Å; E16-M215 HydrophobicContact CG-CG 4.42Å; E16-M215 WeakPolarHBondContact OE1-CG 3.04Å; E16-M215 WeakPolarHBondContact OE2-CG 3.23Å; E16-I219 HydrophobicContact CB-CD1 4.18Å; E16-I219 HydrophobicContact CB-CG1 4.07Å
17L97.3Very high96.2Very high0 Ų032 Ų320%018%0.178CC..Hα-helixtrans-62.7-44.3174.9-173.160.9000112.2I6 I13 G14 V19 K20 C21 M73 M75 I219 I222 I223I6-L17 HydrophobicContact CD1-CD2 4.28Å; I6-L17 HydrophobicContact CD1-CG 4.04Å; I6-L17 HydrophobicContact CG2-CD2 4.39Å; I13-L17 VanDerWaalsContact O-CB 3.23Å; I13-L17 WeakPolarHBondContact O-CB 3.43Å; I13-L17 PolarHBondContact O-N 2.96Å; G14-L17 PolarHBondContact O-N 3.48Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 3.1Å; L17-K20 PolarHBondContact O-N 2.82Å; L17-C21 VanDerWaalsContact O-CB 3.32Å; L17-C21 WeakPolarHBondContact O-CB 3.4Å; L17-C21 PolarHBondContact O-N 3.04Å; L17-C21 PolarHBondContact O-SG 3.49Å; L17-C21 VanDerWaalsContact O-SG 3.33Å; L17-M73 HydrophobicContact CD1-SD 4.3Å; L17-M73 HydrophobicContact CD2-CB 4.42Å; L17-M73 HydrophobicContact CD2-SD 3.79Å; L17-M73 HydrophobicContact CG-SD 4.26Å; L17-M75 HydrophobicContact CD2-CG 4.19Å; L17-M75 HydrophobicContact CD2-SD 4.14Å; L17-I219 HydrophobicContact CB-CD1 3.9Å; L17-I219 HydrophobicContact CD1-CD1 4.39Å; L17-I219 HydrophobicContact CD1-CG2 4.08Å; L17-I222 HydrophobicContact CD1-CB 4.28Å; L17-I222 HydrophobicContact CD1-CD1 4.24Å; L17-I222 HydrophobicContact CD1-CG2 4.03Å; L17-I222 HydrophobicContact CD2-CD1 4.16Å; L17-I222 HydrophobicContact CD2-CG2 4.35Å; L17-I223 HydrophobicContact CD1-CD1 4.48Å; L17-I223 HydrophobicContact CD1-CG1 4.25Å
18V98.1Very high96.1Very high0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-59.1-47.2176.5166.10000110.7I6 A9 G14 K20 C21 R22 A32 V44I6-V18 HydrophobicContact CB-CG2 4.3Å; I6-V18 HydrophobicContact CD1-CG2 3.81Å; I6-V18 HydrophobicContact CG2-CG2 4.32Å; A9-V18 HydrophobicContact CB-CG2 3.88Å; G14-V18 VanDerWaalsContact O-CG2 3.3Å; G14-V18 WeakPolarHBondContact O-CG2 3.37Å; G14-V18 PolarHBondContact O-N 2.78Å; V18-K20 PolarHBondContact O-N 3.49Å; V18-C21 PolarHBondContact O-N 3.29Å; V18-R22 HydrophobicContact CG1-CG 4.45Å; V18-R22 WeakPolarHBondContact O-CB 3.42Å; V18-R22 VanDerWaalsContact O-CG 3.28Å; V18-R22 WeakPolarHBondContact O-CG 3.46Å; V18-R22 PolarHBondContact O-N 2.99Å; V18-A32 HydrophobicContact CG1-CB 4.1Å; V18-A32 HydrophobicContact CG2-CB 3.73Å; V18-V44 HydrophobicContact CB-CG2 4.35Å; V18-V44 HydrophobicContact CG1-CG1 4.48Å; V18-V44 HydrophobicContact CG1-CG2 4.25Å
19V96.6Very high96.2Very high62 Ų6240.3 Ų40.338%0.37622%0.22SC..Hα-helixtrans-59.6-49.5179.3174.70000110.3T15 E16 L17 R22 E23 P43T15-V19 WeakPolarHBondContact O-CG2 3.14Å; T15-V19 PolarHBondContact O-N 3.05Å; E16-V19 PolarHBondContact O-N 3.13Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 3.1Å; V19-R22 PolarHBondContact O-N 3.43Å; V19-E23 PolarHBondContact O-N 2.99Å; V19-P43 HydrophobicContact CG2-CB 3.66Å; V19-P43 HydrophobicContact CG2-CG 3.74Å
20K97.4Very high96.3Very high77 Ų7740.3 Ų40.334%0.33522%0.22SC..Hα-helixtrans-65.7-42-178.6-163.274.3-165.3161.90112.7E16 L17 V18 R22 E23 I24 I219 I223E16-K20 PolarHBondContact O-N 3.24Å; L17-K20 PolarHBondContact O-N 2.82Å; V18-K20 PolarHBondContact O-N 3.49Å; K20-R22 VanDerWaalsContact C-N 3.34Å; K20-R22 PolarHBondContact O-N 3.28Å; K20-E23 WeakPolarHBondContact CD-OE2 3.14Å; K20-E23 VanDerWaalsContact NZ-CD 3.32Å; K20-E23 IonicContact NZ-OE1 2.85Å; K20-E23 PolarHBondContact NZ-OE1 3.49Å; K20-E23 VanDerWaalsContact NZ-OE1 3.16Å; K20-E23 IonicContact NZ-OE2 2.91Å; K20-E23 PolarHBondContact NZ-OE2 3.27Å; K20-E23 WeakPolarHBondContact O-CB 3.46Å; K20-E23 PolarHBondContact O-N 2.93Å; K20-I24 HydrophobicContact CG-CD1 4.08Å; K20-I24 WeakPolarHBondContact O-CG1 3.2Å; K20-I24 PolarHBondContact O-N 3.36Å; K20-I24 VanDerWaalsContact O-N 3.12Å; K20-I219 HydrophobicContact CB-CG2 3.59Å; K20-I219 HydrophobicContact CG-CG2 3.76Å; K20-I223 HydrophobicContact CB-CD1 4.1Å; K20-I223 HydrophobicContact CG-CD1 3.55Å
21C98.3Very high96.4Very high0 Ų040 Ų400%022%0.218CC..Hα-helixtrans-63.2-40175.8-73.10000111.7I4 I6 L17 V18 E23 I24 Y25 V30I4-C21 HydrophobicContact CD1-CB 4.37Å; I6-C21 HydrophobicContact CD1-CB 4.4Å; L17-C21 VanDerWaalsContact O-CB 3.32Å; L17-C21 WeakPolarHBondContact O-CB 3.4Å; L17-C21 PolarHBondContact O-N 3.04Å; L17-C21 PolarHBondContact O-SG 3.49Å; L17-C21 VanDerWaalsContact O-SG 3.33Å; V18-C21 PolarHBondContact O-N 3.29Å; C21-E23 VanDerWaalsContact C-N 3.35Å; C21-I24 PolarHBondContact O-N 2.99Å; C21-Y25 HydrophobicContact CB-CD2 4.07Å; C21-Y25 HydrophobicContact CB-CE2 4.46Å; C21-Y25 WeakPolarHBondContact O-CB 3.49Å; C21-Y25 VanDerWaalsContact O-CD2 3.24Å; C21-Y25 WeakPolarHBondContact O-CD2 3.36Å; C21-Y25 PolarHBondContact O-N 3.43Å; C21-V30 HydrophobicContact CB-CG1 4.2Å; C21-V30 HydrophobicContact CB-CG2 3.76Å
22R97.8Very high96.8Very high16 Ų1638.4 Ų38.46%0.0620%0.202CC..Hα-helixtrans-67.1-36.2177.3-73.6-179.7174.7165.2-0.2112.3V18 V19 K20 G26 V30 V44 G47 P48V18-R22 HydrophobicContact CG1-CG 4.45Å; V18-R22 WeakPolarHBondContact O-CB 3.42Å; V18-R22 VanDerWaalsContact O-CG 3.28Å; V18-R22 WeakPolarHBondContact O-CG 3.46Å; V18-R22 PolarHBondContact O-N 2.99Å; V19-R22 PolarHBondContact O-N 3.43Å; K20-R22 VanDerWaalsContact C-N 3.34Å; K20-R22 PolarHBondContact O-N 3.28Å; R22-G26 CarbonylContact O-C 3.29Å; R22-G26 VanDerWaalsContact O-C 3.29Å; R22-G26 WeakPolarHBondContact O-CA 3.3Å; R22-G26 PolarHBondContact O-N 3.35Å; R22-V30 HydrophobicContact CG-CB 3.62Å; R22-V30 HydrophobicContact CG-CG1 4.17Å; R22-V30 HydrophobicContact CG-CG2 3.81Å; R22-V44 PolarHBondContact NH1-O 2.9Å; R22-V44 PolarHBondContact NH2-O 3.31Å; R22-G47 VanDerWaalsContact CZ-CA 3.48Å; R22-G47 PolarHBondContact NH2-O 3.42Å; R22-P48 PolarHBondContact NH2-O 3.44Å
23E97.3Very high97.4Very high132 Ų13235.5 Ų35.562%0.61719%0.188SC*.Hα-helixtrans-60.1-44.7173.4-173.7-164.9153.600111.6V19 K20 C21V19-E23 PolarHBondContact O-N 2.99Å; K20-E23 WeakPolarHBondContact CD-OE2 3.14Å; K20-E23 VanDerWaalsContact NZ-CD 3.32Å; K20-E23 IonicContact NZ-OE1 2.85Å; K20-E23 PolarHBondContact NZ-OE1 3.49Å; K20-E23 VanDerWaalsContact NZ-OE1 3.16Å; K20-E23 IonicContact NZ-OE2 2.91Å; K20-E23 PolarHBondContact NZ-OE2 3.27Å; K20-E23 WeakPolarHBondContact O-CB 3.46Å; K20-E23 PolarHBondContact O-N 2.93Å; C21-E23 VanDerWaalsContact C-N 3.35Å
24I98Very high97.6Very high83 Ų8334.7 Ų34.743%0.42618%0.184SC..Hα-helixtrans-83.1-46.8-173.9-63.6169.8000112.4K20 C21 I223K20-I24 HydrophobicContact CG-CD1 4.08Å; K20-I24 WeakPolarHBondContact O-CG1 3.2Å; K20-I24 PolarHBondContact O-N 3.36Å; K20-I24 VanDerWaalsContact O-N 3.12Å; C21-I24 PolarHBondContact O-N 2.99Å; I24-I223 HydrophobicContact CD1-CD1 3.91Å; I24-I223 HydrophobicContact CD1-CG2 4.3Å
25Y98Very high97.7Very high31 Ų3139.2 Ų39.212%0.12221%0.207CC..Hα-helixtrans-101-9.1-170.4-54.4-68.4000113.3M1 I4 C21 N29 I223 E227M1-Y25 HydrophobicContact CE-CE2 4.08Å; M1-Y25 VanDerWaalsContact CE-OH 3.23Å; M1-Y25 WeakPolarHBondContact CE-OH 3.45Å; I4-Y25 HydrophobicContact CD1-CD2 3.28Å; I4-Y25 HydrophobicContact CD1-CE2 3.54Å; I4-Y25 HydrophobicContact CD1-CG 3.9Å; C21-Y25 HydrophobicContact CB-CD2 4.07Å; C21-Y25 HydrophobicContact CB-CE2 4.46Å; C21-Y25 WeakPolarHBondContact O-CB 3.49Å; C21-Y25 VanDerWaalsContact O-CD2 3.24Å; C21-Y25 WeakPolarHBondContact O-CD2 3.36Å; C21-Y25 PolarHBondContact O-N 3.43Å; Y25-N29 WeakPolarHBondContact O-CB 3.35Å; Y25-N29 PolarHBondContact O-ND2 2.86Å; Y25-I223 WeakPolarHBondContact OH-CG2 3.33Å; Y25-E227 WeakPolarHBondContact CE1-OE1 3.41Å; Y25-E227 VanDerWaalsContact OH-CD 3.23Å; Y25-E227 PolarHBondContact OH-OE1 3Å
26G98Very high97.8Very high30 Ų3045.8 Ų45.831%0.30923%0.231SC..  trans95143.3-17600000112.8R22 D28 N29R22-G26 CarbonylContact O-C 3.29Å; R22-G26 VanDerWaalsContact O-C 3.29Å; R22-G26 WeakPolarHBondContact O-CA 3.3Å; R22-G26 PolarHBondContact O-N 3.35Å; G26-D28 PolarHBondContact O-N 3.49Å; G26-N29 WeakPolarHBondContact O-CB 3.33Å; G26-N29 PolarHBondContact O-N 2.91Å; G26-N29 VanDerWaalsContact O-N 3.1Å
27T97.7Very high97.8Very high58 Ų5851 Ų5136%0.35626%0.256SS..G310 helixtrans-53.3-48.4-174.9-61.40000113.8N29 V30 N46 P48T27-N29 PolarHBondContact O-N 3.48Å; T27-V30 PolarHBondContact O-N 2.89Å; T27-N46 WeakPolarHBondContact CG2-O 3.4Å; T27-P48 WeakPolarHBondContact O-CD 3.24Å
28D98Very high97.7Very high124 Ų12451.6 Ų51.666%0.66326%0.26SS*.G310 helixtrans-72.5-10.4-175.6-60.4-34000113.5G26 F67G26-D28 PolarHBondContact O-N 3.49Å; D28-F67 WeakPolarHBondContact O-CE2 3.3Å
29N98.6Very high97.4Very high62 Ų6258.5 Ų58.533%0.33229%0.292SS..G310 helixtrans-94.32.6-179.7-73.8-30.8000113K2 K3 I4 Y25 G26 T27K2-N29 VanDerWaalsContact O-CB 3.3Å; K2-N29 WeakPolarHBondContact O-CB 3.5Å; K3-N29 WeakPolarHBondContact CA-O 3.24Å; I4-N29 PolarHBondContact N-O 3.26Å; Y25-N29 WeakPolarHBondContact O-CB 3.35Å; Y25-N29 PolarHBondContact O-ND2 2.86Å; G26-N29 WeakPolarHBondContact O-CB 3.33Å; G26-N29 PolarHBondContact O-N 2.91Å; G26-N29 VanDerWaalsContact O-N 3.1Å; T27-N29 PolarHBondContact O-N 3.48Å
30V98.8Very high97.1Very high0 Ų060 Ų600%031%0.311CS..EExtended strand (participates in β ladder)trans-126.6110.1178.2-1740000110.9I4 I6 C21 R22 T27I4-V30 CarbonylContact O-C 3.6Å; I4-V30 WeakPolarHBondContact O-CA 3.45Å; I6-V30 HydrophobicContact CD1-CG1 3.82Å; I6-V30 HydrophobicContact CG1-CG1 4.34Å; C21-V30 HydrophobicContact CB-CG1 4.2Å; C21-V30 HydrophobicContact CB-CG2 3.76Å; R22-V30 HydrophobicContact CG-CB 3.62Å; R22-V30 HydrophobicContact CG-CG1 4.17Å; R22-V30 HydrophobicContact CG-CG2 3.81Å; T27-V30 PolarHBondContact O-N 2.89Å
31L98.8Very high96.6Very high6 Ų662.8 Ų62.83%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-90.4111171.1178.558.8000109.8I4 M5 I6 T33 P48 E50 L63 F67I4-L31 PolarHBondContact O-N 3.39Å; M5-L31 CarbonylContact C-O 3.49Å; M5-L31 WeakPolarHBondContact CA-O 3.34Å; M5-L31 HydrophobicContact CG-CD2 4.3Å; M5-L31 HydrophobicContact CG-CG 4.48Å; I6-L31 PolarHBondContact N-O 2.74Å; L31-T33 HydrophobicContact CD1-CG2 4.45Å; L31-T33 HydrophobicContact CD2-CG2 4.37Å; L31-T33 HydrophobicContact CG-CG2 3.99Å; L31-P48 HydrophobicContact CD1-CB 4.02Å; L31-E50 HydrophobicContact CD1-CB 4.17Å; L31-E50 HydrophobicContact CD1-CG 3.89Å; L31-L63 HydrophobicContact CD2-CB 4.41Å; L31-L63 HydrophobicContact CD2-CD2 4.5Å; L31-F67 HydrophobicContact CB-CD1 3.69Å; L31-F67 HydrophobicContact CB-CD2 3.96Å; L31-F67 HydrophobicContact CB-CE1 3.64Å; L31-F67 HydrophobicContact CB-CE2 3.93Å; L31-F67 HydrophobicContact CB-CG 3.85Å; L31-F67 HydrophobicContact CB-CZ 3.77Å; L31-F67 HydrophobicContact CD2-CB 3.78Å; L31-F67 HydrophobicContact CD2-CD1 4.2Å; L31-F67 HydrophobicContact CD2-CD2 4.25Å; L31-F67 HydrophobicContact CD2-CG 3.82Å; L31-F67 HydrophobicContact CG-CG 4.45Å
32A98.8Very high96.3Very high0 Ų063.7 Ų63.70%034%0.336CS..EExtended strand (participates in β ladder)trans-88.4140.1172.500000110.2A9 V18 V44 P48 F49 E50A9-A32 HydrophobicContact CB-CB 3.75Å; V18-A32 HydrophobicContact CG1-CB 4.1Å; V18-A32 HydrophobicContact CG2-CB 3.73Å; A32-V44 HydrophobicContact CB-CG1 3.62Å; A32-P48 PolarHBondContact N-O 3.03Å; A32-P48 VanDerWaalsContact N-O 3.11Å; A32-F49 HydrophobicContact CB-CD2 3.86Å; A32-F49 VanDerWaalsContact O-CA 3.26Å; A32-F49 WeakPolarHBondContact O-CA 3.44Å; A32-F49 WeakPolarHBondContact O-CD2 3.3Å; A32-E50 PolarHBondContact O-N 2.9Å
33T98.7Very high96Very high0 Ų065.4 Ų65.40%035%0.349CS..EExtended strand (participates in β ladder)trans-141.3145.7177.367.20000112.5M5 I6 T7 G8 A9 L31 E50 L52 L63M5-T33 HydrophobicContact CE-CG2 3.75Å; I6-T33 PolarHBondContact O-N 2.56Å; I6-T33 PolarHBondContact O-OG1 3.5Å; T7-T33 CarbonylContact C-O 3.12Å; T7-T33 VanDerWaalsContact CA-OG1 3.27Å; T7-T33 WeakPolarHBondContact CA-OG1 3.3Å; G8-T33 PolarHBondContact N-O 3.32Å; A9-T33 WeakPolarHBondContact CB-O 3.42Å; A9-T33 PolarHBondContact N-O 3.37Å; L31-T33 HydrophobicContact CD1-CG2 4.45Å; L31-T33 HydrophobicContact CD2-CG2 4.37Å; L31-T33 HydrophobicContact CG-CG2 3.99Å; T33-E50 WeakPolarHBondContact CA-O 3.09Å; T33-E50 VanDerWaalsContact CB-O 3.31Å; T33-E50 WeakPolarHBondContact CB-O 3.47Å; T33-E50 HydrophobicContact CG2-CB 4.13Å; T33-L52 HydrophobicContact CG2-CB 4.44Å; T33-L63 HydrophobicContact CG2-CD1 4.19Å
34D98.4Very high95.8Very high14 Ų1459.1 Ų59.18%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-156.2167.2176.3-153.4-79.3000109.8G8 A9 L10 R36 F49 I51 L52G8-D34 WeakPolarHBondContact CA-OD2 2.98Å; A9-D34 PolarHBondContact N-OD2 3.48Å; L10-D34 HydrophobicContact CB-CB 4.2Å; L10-D34 WeakPolarHBondContact CB-OD2 3.29Å; L10-D34 HydrophobicContact CD1-CB 3.74Å; L10-D34 HydrophobicContact CG-CB 3.62Å; L10-D34 PolarHBondContact N-OD2 2.94Å; D34-R36 PolarHBondContact O-N 3.01Å; D34-R36 PolarHBondContact OD1-N 3.45Å; D34-R36 IonicContact OD1-NE 2.69Å; D34-F49 HydrophobicContact CB-CE2 4.23Å; D34-F49 HydrophobicContact CB-CZ 4.05Å; D34-I51 WeakPolarHBondContact O-CA 3.38Å; D34-L52 CarbonylContact C-O 3.52Å; D34-L52 VanDerWaalsContact C-O 3.29Å; D34-L52 PolarHBondContact O-N 3.37Å
35I97.3Very high95.6Very high96 Ų9659.6 Ų59.649%0.49232%0.32SS..SBendtrans-76.5-10.8177.4-164.3171.1000112L52 D53I35-L52 PolarHBondContact N-O 3.43Å; I35-D53 HydrophobicContact CD1-CB 4.1Å; I35-D53 HydrophobicContact CG1-CB 4.22Å
36R96Very high95.3Very high145 Ų14564 Ų6455%0.54735%0.346SS..SBendtrans-123.3157.1-178.7-59.8173.7-63.81544.9110.8L10 D34 F49 I51L10-R36 HydrophobicContact CD1-CB 4.3Å; L10-R36 WeakPolarHBondContact CD1-O 3.4Å; D34-R36 PolarHBondContact O-N 3.01Å; D34-R36 PolarHBondContact OD1-N 3.45Å; D34-R36 IonicContact OD1-NE 2.69Å; R36-F49 VanDerWaalsContact O-CZ 3.31Å; R36-F49 WeakPolarHBondContact O-CZ 3.24Å; R36-I51 VanDerWaalsContact O-CD1 3.31Å; R36-I51 WeakPolarHBondContact O-CD1 3.41Å
37E96.2Very high95.2Very high134 Ų13463.7 Ų63.763%0.62634%0.342SS*.PPolyproline II helixtrans-71.7143169.5-66.9-69176.300110.8I51E37-I51 HydrophobicContact CG-CD1 3.93Å; E37-I51 HydrophobicContact CG-CG1 4.5Å; E37-I51 WeakPolarHBondContact OE1-CG1 3.5Å
38P94.7Very high95.2Very high14 Ų1462.7 Ų62.79%0.09134%0.337CS..PPolyproline II helixtrans-63.4141.8171.425.2-33.1000111L10 Q45 F49L10-P38 HydrophobicContact CD1-CB 4.45Å; L10-P38 HydrophobicContact CD2-CB 3.85Å; P38-Q45 HydrophobicContact CB-CG 3.71Å; P38-Q45 HydrophobicContact CG-CG 3.55Å; P38-Q45 PolarHBondContact O-NE2 3.07Å; P38-F49 VanDerWaalsContact CD-CE1 3.44Å; P38-F49 HydrophobicContact CG-CD1 4.3Å; P38-F49 HydrophobicContact CG-CE1 4.38Å; P38-F49 HydrophobicContact CG-CG 4.38Å
39E92.1Very high95.2Very high145 Ų14558.6 Ų58.668%0.67831%0.313SS*.PPolyproline II helixtrans-59.2153.7167.7-66175.7-17500110.7D41 S42 Q45E39-D41 PolarHBondContact O-N 2.89Å; E39-D41 VanDerWaalsContact O-N 3.15Å; E39-S42 WeakPolarHBondContact O-CB 3.38Å; E39-S42 PolarHBondContact O-N 2.84Å; E39-Q45 PolarHBondContact O-NE2 3.1Å; E39-Q45 VanDerWaalsContact O-NE2 3.08Å
40A89.5Confident95.2Very high93 Ų9359.3 Ų59.377%0.76932%0.315SS*.THydrogen-bonded Turntrans-61-26.1-171.200000114.3Q45A40-Q45 PolarHBondContact O-OE1 3.36Å
41D88.7Confident95.2Very high135 Ų13562.2 Ų62.272%0.72233%0.329SS*.THydrogen-bonded Turntrans-97.91.4177.364.7-24.4000113E39E39-D41 PolarHBondContact O-N 2.89Å; E39-D41 VanDerWaalsContact O-N 3.15Å
42S90.9Very high95.2Very high19 Ų1962.1 Ų62.113%0.13333%0.329CS..  trans-66.4129.3178.7-1760000110.7E39 V44 Q45E39-S42 WeakPolarHBondContact O-CB 3.38Å; E39-S42 PolarHBondContact O-N 2.84Å; S42-V44 PolarHBondContact O-N 3.34Å; S42-V44 PolarHBondContact OG-N 2.93Å; S42-Q45 WeakPolarHBondContact O-CB 3.36Å; S42-Q45 PolarHBondContact O-N 3.24Å
43P91.1Very high95.2Very high52 Ų5264.9 Ų64.934%0.33834%0.344SS..G310 helixtrans-65.7-13177.829.8-37.3000112.8T15 V19 Q45 N46T15-P43 HydrophobicContact CG2-CG 3.93Å; V19-P43 HydrophobicContact CG2-CB 3.66Å; V19-P43 HydrophobicContact CG2-CG 3.74Å; P43-Q45 PolarHBondContact O-N 3.42Å; P43-N46 WeakPolarHBondContact O-CB 3.47Å; P43-N46 PolarHBondContact O-N 2.92Å; P43-N46 PolarHBondContact O-ND2 2.97Å
44V93.7Very high95.2Very high0 Ų065.2 Ų65.20%035%0.346CS..G310 helixtrans-65-25.8173.5178.20000111.8L10 T15 V18 R22 A32 S42 N46 F49L10-V44 HydrophobicContact CD2-CB 4.05Å; L10-V44 HydrophobicContact CD2-CG1 4.02Å; L10-V44 HydrophobicContact CD2-CG2 4.05Å; T15-V44 HydrophobicContact CG2-CG2 4.21Å; V18-V44 HydrophobicContact CB-CG2 4.35Å; V18-V44 HydrophobicContact CG1-CG1 4.48Å; V18-V44 HydrophobicContact CG1-CG2 4.25Å; R22-V44 PolarHBondContact NH1-O 2.9Å; R22-V44 PolarHBondContact NH2-O 3.31Å; A32-V44 HydrophobicContact CB-CG1 3.62Å; S42-V44 PolarHBondContact O-N 3.34Å; S42-V44 PolarHBondContact OG-N 2.93Å; V44-N46 PolarHBondContact O-N 3.16Å; V44-F49 HydrophobicContact CG1-CD2 3.59Å; V44-F49 HydrophobicContact CG1-CE2 4.08Å
45Q93Very high95.2Very high94 Ų9467.7 Ų67.744%0.43936%0.361SS..G310 helixtrans-66.3-15.9177-65.4-156.5-1100113.9P38 E39 A40 S42 P43 G47P38-Q45 HydrophobicContact CB-CG 3.71Å; P38-Q45 HydrophobicContact CG-CG 3.55Å; P38-Q45 PolarHBondContact O-NE2 3.07Å; E39-Q45 PolarHBondContact O-NE2 3.1Å; E39-Q45 VanDerWaalsContact O-NE2 3.08Å; A40-Q45 PolarHBondContact O-OE1 3.36Å; S42-Q45 WeakPolarHBondContact O-CB 3.36Å; S42-Q45 PolarHBondContact O-N 3.24Å; P43-Q45 PolarHBondContact O-N 3.42Å; Q45-G47 PolarHBondContact O-N 3Å
46N92.1Very high95.2Very high123 Ų12366.8 Ų66.866%0.65836%0.358SS*.G310 helixtrans-74.814.9-174.5-64.7-31.4000114.8T27 P43 V44T27-N46 WeakPolarHBondContact CG2-O 3.4Å; P43-N46 WeakPolarHBondContact O-CB 3.47Å; P43-N46 PolarHBondContact O-N 2.92Å; P43-N46 PolarHBondContact O-ND2 2.97Å; V44-N46 PolarHBondContact O-N 3.16Å
47G96.3Very high95.3Very high23 Ų2365.8 Ų65.824%0.23735%0.354CS..SBendtrans-174.8-170.1-177.400000112.5R22 Q45 F49R22-G47 VanDerWaalsContact CZ-CA 3.48Å; R22-G47 PolarHBondContact NH2-O 3.42Å; Q45-G47 PolarHBondContact O-N 3Å; G47-F49 PolarHBondContact O-N 3.03Å
48P98.1Very high95.5Very high38 Ų3864.3 Ų64.325%0.24735%0.35CS..  trans-55.2126.7-176.1-25.434.5000112.8R22 T27 L31 A32R22-P48 PolarHBondContact NH2-O 3.44Å; T27-P48 WeakPolarHBondContact O-CD 3.24Å; L31-P48 HydrophobicContact CD1-CB 4.02Å; A32-P48 PolarHBondContact N-O 3.03Å; A32-P48 VanDerWaalsContact N-O 3.11Å
49F98.5Very high95.6Very high37 Ų3766.7 Ų66.716%0.16236%0.358CS..EExtended strand (participates in β ladder)trans-140.3139.7177.7-177.7-90.5000110.2L10 A32 D34 R36 P38 V44 G47 I51L10-F49 HydrophobicContact CD1-CZ 4.4Å; L10-F49 HydrophobicContact CD2-CE2 4.33Å; L10-F49 HydrophobicContact CG-CE2 4.43Å; A32-F49 HydrophobicContact CB-CD2 3.86Å; A32-F49 VanDerWaalsContact O-CA 3.26Å; A32-F49 WeakPolarHBondContact O-CA 3.44Å; A32-F49 WeakPolarHBondContact O-CD2 3.3Å; D34-F49 HydrophobicContact CB-CE2 4.23Å; D34-F49 HydrophobicContact CB-CZ 4.05Å; R36-F49 VanDerWaalsContact O-CZ 3.31Å; R36-F49 WeakPolarHBondContact O-CZ 3.24Å; P38-F49 VanDerWaalsContact CD-CE1 3.44Å; P38-F49 HydrophobicContact CG-CD1 4.3Å; P38-F49 HydrophobicContact CG-CE1 4.38Å; P38-F49 HydrophobicContact CG-CG 4.38Å; V44-F49 HydrophobicContact CG1-CD2 3.59Å; V44-F49 HydrophobicContact CG1-CE2 4.08Å; G47-F49 PolarHBondContact O-N 3.03Å; F49-I51 HydrophobicContact CE1-CD1 3.73Å; F49-I51 HydrophobicContact CE1-CG1 4.24Å; F49-I51 HydrophobicContact CZ-CD1 4.21Å
50E98.5Very high96Very high78 Ų7859.8 Ų59.836%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-138.6141.4176.8-75.5-72166.700110.8L31 A32 T33 L52 R59 L63L31-E50 HydrophobicContact CD1-CB 4.17Å; L31-E50 HydrophobicContact CD1-CG 3.89Å; A32-E50 PolarHBondContact O-N 2.9Å; T33-E50 WeakPolarHBondContact CA-O 3.09Å; T33-E50 VanDerWaalsContact CB-O 3.31Å; T33-E50 WeakPolarHBondContact CB-O 3.47Å; T33-E50 HydrophobicContact CG2-CB 4.13Å; E50-L52 PolarHBondContact O-N 3.13Å; E50-R59 IonicContact OE2-NH2 3.85Å; E50-R59 PolarHBondContact OE2-NH2 2.99Å; E50-L63 HydrophobicContact CB-CD1 4.04Å; E50-L63 HydrophobicContact CB-CD2 3.84Å; E50-L63 HydrophobicContact CG-CD2 3.66Å
51I98.5Very high96.4Very high60 Ų6057 Ų5731%0.30830%0.296SS..EExtended strand (participates in β ladder)trans-73.3128.1172-64.2-69.4000109.4D34 R36 E37 F49D34-I51 WeakPolarHBondContact O-CA 3.38Å; R36-I51 VanDerWaalsContact O-CD1 3.31Å; R36-I51 WeakPolarHBondContact O-CD1 3.41Å; E37-I51 HydrophobicContact CG-CD1 3.93Å; E37-I51 HydrophobicContact CG-CG1 4.5Å; E37-I51 WeakPolarHBondContact OE1-CG1 3.5Å; F49-I51 HydrophobicContact CE1-CD1 3.73Å; F49-I51 HydrophobicContact CE1-CG1 4.24Å; F49-I51 HydrophobicContact CZ-CD1 4.21Å
52L98.7Very high96.9Very high4 Ų454.1 Ų54.12%0.02128%0.278CS..  trans-144.9119.9177.2176.964.3000110.9M5 T7 T33 D34 I35 E50 V54 R59 M60 L63M5-L52 HydrophobicContact CE-CD2 3.5Å; T7-L52 HydrophobicContact CG2-CD2 3.98Å; T33-L52 HydrophobicContact CG2-CB 4.44Å; D34-L52 CarbonylContact C-O 3.52Å; D34-L52 VanDerWaalsContact C-O 3.29Å; D34-L52 PolarHBondContact O-N 3.37Å; I35-L52 PolarHBondContact N-O 3.43Å; E50-L52 PolarHBondContact O-N 3.13Å; L52-V54 HydrophobicContact CD2-CG1 4.49Å; L52-R59 HydrophobicContact CD1-CB 3.97Å; L52-R59 HydrophobicContact CD1-CG 3.72Å; L52-M60 HydrophobicContact CD1-CB 4.08Å; L52-M60 HydrophobicContact CD2-CB 4.29Å; L52-M60 HydrophobicContact CD2-CE 4.32Å; L52-M60 HydrophobicContact CD2-CG 4.26Å; L52-L63 HydrophobicContact CB-CD1 4.03Å; L52-L63 HydrophobicContact CD1-CD1 4.21Å; L52-L63 HydrophobicContact CD2-CD1 4.2Å; L52-L63 HydrophobicContact CG-CD1 4.38Å
53D98.4Very high97.3Very high59 Ų5953.7 Ų53.732%0.31627%0.274SS..  trans-80.8119.4155.5-173.4-25.6000108.3I35 T55 D56I35-D53 HydrophobicContact CD1-CB 4.1Å; I35-D53 HydrophobicContact CG1-CB 4.22Å; D53-T55 PolarHBondContact O-N 2.92Å; D53-T55 VanDerWaalsContact O-N 3.13Å; D53-T55 WeakPolarHBondContact OD1-CB 3.44Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.17Å; D53-T55 PolarHBondContact OD1-N 3.35Å; D53-T55 PolarHBondContact OD1-OG1 2.93Å; D53-T55 PolarHBondContact OD2-OG1 2.85Å; D53-D56 WeakPolarHBondContact O-CB 3.4Å; D53-D56 PolarHBondContact O-N 2.78Å
54V98.5Very high97.6Very high7 Ų751.3 Ų51.34%0.04226%0.259CS..THydrogen-bonded Turntrans-65.9-15.1-178.1-63.70000113.3T7 L52 D56 M60 A76 L93 N100T7-V54 HydrophobicContact CG2-CG1 4.23Å; L52-V54 HydrophobicContact CD2-CG1 4.49Å; V54-D56 VanDerWaalsContact C-N 3.3Å; V54-M60 HydrophobicContact CB-CE 3.81Å; V54-M60 HydrophobicContact CG1-CE 4.02Å; V54-A76 HydrophobicContact CB-CB 4.5Å; V54-A76 HydrophobicContact CG1-CB 3.76Å; V54-A76 HydrophobicContact CG2-CB 4.01Å; V54-L93 HydrophobicContact CG2-CG 4.44Å; V54-N100 PolarHBondContact O-ND2 3.21Å
55T98Very high97.9Very high65 Ų6557.5 Ų57.540%0.39928%0.282SS..THydrogen-bonded Turntrans-77.1-17.717270.50000112.5D53 R57 N100D53-T55 PolarHBondContact O-N 2.92Å; D53-T55 VanDerWaalsContact O-N 3.13Å; D53-T55 WeakPolarHBondContact OD1-CB 3.44Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.17Å; D53-T55 PolarHBondContact OD1-N 3.35Å; D53-T55 PolarHBondContact OD1-OG1 2.93Å; D53-T55 PolarHBondContact OD2-OG1 2.85Å; T55-R57 PolarHBondContact O-N 3.26Å; T55-N100 PolarHBondContact O-ND2 2.71Å; T55-N100 VanDerWaalsContact O-ND2 3.13Å
56D98.4Very high98.1Very high78 Ų7857.5 Ų57.542%0.41729%0.285SS..  trans-83.792170.3-170.2-21.2000110.7D53 V54 D58 R59 M60D53-D56 WeakPolarHBondContact O-CB 3.4Å; D53-D56 PolarHBondContact O-N 2.78Å; V54-D56 VanDerWaalsContact C-N 3.3Å; D56-D58 VanDerWaalsContact C-N 3.33Å; D56-D58 PolarHBondContact O-N 3.47Å; D56-D58 PolarHBondContact OD1-N 3.39Å; D56-D58 VanDerWaalsContact OD1-N 3.1Å; D56-R59 HydrophobicContact CB-CB 4.17Å; D56-R59 PolarHBondContact OD1-N 3.43Å; D56-M60 PolarHBondContact O-N 3.47Å; D56-M60 VanDerWaalsContact O-N 3.13Å
57R98.3Very high98.4Very high123 Ų12352.8 Ų52.846%0.46426%0.259SS..Hα-helixtrans-58.7-43.4178.5-172.8-166.666.2-144-6.9112.3T55 M60 F61 N100T55-R57 PolarHBondContact O-N 3.26Å; R57-M60 PolarHBondContact O-N 2.92Å; R57-F61 HydrophobicContact CG-CD2 3.84Å; R57-F61 HydrophobicContact CG-CE2 3.6Å; R57-F61 HydrophobicContact CG-CZ 4.32Å; R57-F61 WeakPolarHBondContact O-CD2 3.43Å; R57-F61 PolarHBondContact O-N 3.13Å; R57-N100 HydrophobicContact CB-CB 4.38Å; R57-N100 HydrophobicContact CG-CB 4.38Å
58D98.7Very high98.6Very high103 Ų10358.7 Ų58.755%0.55128%0.28SS*.Hα-helixtrans-71.5-38.8-169.5-66.6-14.1000109.8D56 F61 E62D56-D58 VanDerWaalsContact C-N 3.33Å; D56-D58 PolarHBondContact O-N 3.47Å; D56-D58 PolarHBondContact OD1-N 3.39Å; D56-D58 VanDerWaalsContact OD1-N 3.1Å; D58-F61 PolarHBondContact O-N 3.13Å; D58-E62 WeakPolarHBondContact O-CB 3.37Å; D58-E62 PolarHBondContact O-N 2.86Å
59R98.7Very high98.6Very high65 Ų6557.4 Ų57.425%0.24527%0.273CS..Hα-helixtrans-64.3-41171.5-176.557.4179.7163.60.9112.4E50 L52 D56 F61 E62 L63E50-R59 IonicContact OE2-NH2 3.85Å; E50-R59 PolarHBondContact OE2-NH2 2.99Å; L52-R59 HydrophobicContact CD1-CB 3.97Å; L52-R59 HydrophobicContact CD1-CG 3.72Å; D56-R59 HydrophobicContact CB-CB 4.17Å; D56-R59 PolarHBondContact OD1-N 3.43Å; R59-F61 VanDerWaalsContact C-N 3.32Å; R59-F61 PolarHBondContact O-N 3Å; R59-E62 WeakPolarHBondContact CD-OE2 3.32Å; R59-E62 IonicContact CZ-OE2 3.88Å; R59-E62 IonicContact NH1-OE1 2.7Å; R59-E62 PolarHBondContact NH1-OE1 3.43Å; R59-E62 IonicContact NH1-OE2 3.14Å; R59-E62 PolarHBondContact NH1-OE2 2.99Å; R59-E62 PolarHBondContact O-N 3.43Å; R59-L63 HydrophobicContact CG-CD1 4.3Å; R59-L63 WeakPolarHBondContact O-CG 3.14Å; R59-L63 PolarHBondContact O-N 3.48Å
60M98.8Very high98.6Very high0 Ų057.9 Ų57.90%028%0.277CS..Hα-helixtrans-59.8-43.6176.1-174.9-177.6-68.200111.7L52 V54 D56 R57 L63 V64 N100 A101 A104L52-M60 HydrophobicContact CD1-CB 4.08Å; L52-M60 HydrophobicContact CD2-CB 4.29Å; L52-M60 HydrophobicContact CD2-CE 4.32Å; L52-M60 HydrophobicContact CD2-CG 4.26Å; V54-M60 HydrophobicContact CB-CE 3.81Å; V54-M60 HydrophobicContact CG1-CE 4.02Å; D56-M60 PolarHBondContact O-N 3.47Å; D56-M60 VanDerWaalsContact O-N 3.13Å; R57-M60 PolarHBondContact O-N 2.92Å; M60-L63 PolarHBondContact O-N 3.03Å; M60-V64 WeakPolarHBondContact O-CG2 3.34Å; M60-V64 PolarHBondContact O-N 3.01Å; M60-N100 HydrophobicContact CE-CB 4.13Å; M60-N100 HydrophobicContact SD-CB 4.08Å; M60-A101 HydrophobicContact CE-CB 4.24Å; M60-A101 WeakPolarHBondContact SD-CA 3.43Å; M60-A101 HydrophobicContact SD-CB 3.92Å; M60-A101 PolarHBondContact SD-N 3.29Å; M60-A104 HydrophobicContact CG-CB 4.43Å; M60-A104 HydrophobicContact SD-CB 4.25Å
61F98.8Very high98.6Very high33 Ų3354.1 Ų54.115%0.14526%0.259CS..Hα-helixtrans-66.8-41.2179-84.9-129.9000112R57 D58 R59 R65 E103 A104 T107 Y108R57-F61 HydrophobicContact CG-CD2 3.84Å; R57-F61 HydrophobicContact CG-CE2 3.6Å; R57-F61 HydrophobicContact CG-CZ 4.32Å; R57-F61 WeakPolarHBondContact O-CD2 3.43Å; R57-F61 PolarHBondContact O-N 3.13Å; D58-F61 PolarHBondContact O-N 3.13Å; R59-F61 VanDerWaalsContact C-N 3.32Å; R59-F61 PolarHBondContact O-N 3Å; F61-R65 WeakPolarHBondContact O-CB 3.48Å; F61-R65 PolarHBondContact O-N 2.97Å; F61-E103 HydrophobicContact CE2-CB 4.35Å; F61-E103 HydrophobicContact CZ-CB 3.98Å; F61-A104 HydrophobicContact CD2-CB 3.88Å; F61-A104 HydrophobicContact CE2-CB 3.65Å; F61-A104 HydrophobicContact CZ-CB 4.29Å; F61-T107 HydrophobicContact CD1-CG2 4.45Å; F61-T107 HydrophobicContact CE1-CG2 3.97Å; F61-Y108 HydrophobicContact CB-CE2 4.13Å; F61-Y108 AromaticContact CD1-CE2 3.6Å; F61-Y108 HydrophobicContact CD1-CE2 3.6Å; F61-Y108 HydrophobicContact CE1-CE2 4.2Å; F61-Y108 AromaticContact CG-CE2 3.94Å; F61-Y108 HydrophobicContact CG-CE2 3.94Å
62E98.8Very high98.6Very high75 Ų7551.3 Ų51.335%0.3525%0.245SC..Hα-helixtrans-56.6-51.2173.8-174.4-169.3175.100111D58 R59 V64 R65 D66D58-E62 WeakPolarHBondContact O-CB 3.37Å; D58-E62 PolarHBondContact O-N 2.86Å; R59-E62 WeakPolarHBondContact CD-OE2 3.32Å; R59-E62 IonicContact CZ-OE2 3.88Å; R59-E62 IonicContact NH1-OE1 2.7Å; R59-E62 PolarHBondContact NH1-OE1 3.43Å; R59-E62 IonicContact NH1-OE2 3.14Å; R59-E62 PolarHBondContact NH1-OE2 2.99Å; R59-E62 PolarHBondContact O-N 3.43Å; E62-V64 PolarHBondContact O-N 2.86Å; E62-R65 PolarHBondContact O-N 3.27Å; E62-D66 WeakPolarHBondContact O-CB 3.12Å; E62-D66 VanDerWaalsContact O-CG 3.26Å; E62-D66 PolarHBondContact O-N 3.5Å
63L98.8Very high98.6Very high10 Ų1051.1 Ų51.15%0.05224%0.244CC..Hα-helixtrans-62.5-44.8-179.5-71.9177.4000112.6M5 L31 T33 E50 L52 R59 M60 R65 F67M5-L63 HydrophobicContact CE-CB 3.72Å; M5-L63 HydrophobicContact CE-CD1 3.91Å; M5-L63 HydrophobicContact CE-CG 4.49Å; M5-L63 HydrophobicContact SD-CB 4.3Å; L31-L63 HydrophobicContact CD2-CB 4.41Å; L31-L63 HydrophobicContact CD2-CD2 4.5Å; T33-L63 HydrophobicContact CG2-CD1 4.19Å; E50-L63 HydrophobicContact CB-CD1 4.04Å; E50-L63 HydrophobicContact CB-CD2 3.84Å; E50-L63 HydrophobicContact CG-CD2 3.66Å; L52-L63 HydrophobicContact CB-CD1 4.03Å; L52-L63 HydrophobicContact CD1-CD1 4.21Å; L52-L63 HydrophobicContact CD2-CD1 4.2Å; L52-L63 HydrophobicContact CG-CD1 4.38Å; R59-L63 HydrophobicContact CG-CD1 4.3Å; R59-L63 WeakPolarHBondContact O-CG 3.14Å; R59-L63 PolarHBondContact O-N 3.48Å; M60-L63 PolarHBondContact O-N 3.03Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.43Å; L63-F67 WeakPolarHBondContact O-CB 3.41Å; L63-F67 PolarHBondContact O-N 3.07Å
64V98.8Very high98.7Very high2 Ų248.4 Ų48.41%0.01223%0.229CC..Hα-helixtrans-58.4-46.2176165.10000111.1M5 M60 E62 E68 A69 A104 Y108 L110M5-V64 HydrophobicContact SD-CG2 3.5Å; M5-V64 VanDerWaalsContact SD-CG2 3.5Å; M60-V64 WeakPolarHBondContact O-CG2 3.34Å; M60-V64 PolarHBondContact O-N 3.01Å; E62-V64 PolarHBondContact O-N 2.86Å; V64-E68 PolarHBondContact O-N 3.11Å; V64-E68 VanDerWaalsContact O-N 3.11Å; V64-A69 HydrophobicContact CG1-CB 4.37Å; V64-A69 PolarHBondContact O-N 2.96Å; V64-A104 HydrophobicContact CG2-CB 4.34Å; V64-Y108 HydrophobicContact CB-CD2 4.24Å; V64-Y108 HydrophobicContact CB-CE2 4.48Å; V64-Y108 HydrophobicContact CG1-CD1 4.38Å; V64-Y108 HydrophobicContact CG1-CD2 3.44Å; V64-Y108 VanDerWaalsContact CG1-CD2 3.44Å; V64-Y108 HydrophobicContact CG1-CE2 4.11Å; V64-Y108 HydrophobicContact CG1-CG 3.6Å; V64-L110 HydrophobicContact CG1-CD1 3.76Å; V64-L110 HydrophobicContact CG1-CD2 4.21Å; V64-L110 HydrophobicContact CG1-CG 4.47Å; V64-L110 HydrophobicContact CG2-CD1 4.21Å
65R98.7Very high98.6Very high130 Ų13049.1 Ų49.149%0.49123%0.232SC..Hα-helixtrans-66.3-51.6-178.8-178.5-16667.6-147.5-8111.5F61 E62 L63 F67 E68 Y108F61-R65 WeakPolarHBondContact O-CB 3.48Å; F61-R65 PolarHBondContact O-N 2.97Å; E62-R65 PolarHBondContact O-N 3.27Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.43Å; R65-F67 VanDerWaalsContact C-N 3.35Å; R65-E68 PolarHBondContact O-N 3.49Å; R65-Y108 HydrophobicContact CB-CE1 3.88Å; R65-Y108 HydrophobicContact CG-CE1 4.19Å
66D98.6Very high98.5Very high94 Ų9446.9 Ų46.950%0.50322%0.22SC..Hα-helixtrans-72.6-32.6-171.9-66.6-4.2000111.4E62 E68E62-D66 WeakPolarHBondContact O-CB 3.12Å; E62-D66 VanDerWaalsContact O-CG 3.26Å; E62-D66 PolarHBondContact O-N 3.5Å; D66-E68 VanDerWaalsContact C-N 3.27Å
67F98.6Very high98.3Very high25 Ų2544.8 Ų44.811%0.1121%0.214CC..Hα-helixtrans-77.5-12.4170.9-171.2-115.3000113K3 D28 L31 L63 R65 A69K3-F67 HydrophobicContact CB-CD1 4.43Å; K3-F67 HydrophobicContact CB-CE1 3.9Å; K3-F67 HydrophobicContact CB-CZ 4.44Å; K3-F67 WeakPolarHBondContact CE-O 3.49Å; K3-F67 PolarHBondContact NZ-O 3.46Å; D28-F67 WeakPolarHBondContact O-CE2 3.3Å; L31-F67 HydrophobicContact CB-CD1 3.69Å; L31-F67 HydrophobicContact CB-CD2 3.96Å; L31-F67 HydrophobicContact CB-CE1 3.64Å; L31-F67 HydrophobicContact CB-CE2 3.93Å; L31-F67 HydrophobicContact CB-CG 3.85Å; L31-F67 HydrophobicContact CB-CZ 3.77Å; L31-F67 HydrophobicContact CD2-CB 3.78Å; L31-F67 HydrophobicContact CD2-CD1 4.2Å; L31-F67 HydrophobicContact CD2-CD2 4.25Å; L31-F67 HydrophobicContact CD2-CG 3.82Å; L31-F67 HydrophobicContact CG-CG 4.45Å; L63-F67 WeakPolarHBondContact O-CB 3.41Å; L63-F67 PolarHBondContact O-N 3.07Å; R65-F67 VanDerWaalsContact C-N 3.35Å; F67-A69 VanDerWaalsContact C-N 3.29Å; F67-A69 HydrophobicContact CD1-CB 4.16Å; F67-A69 PolarHBondContact O-N 2.81Å
68E98.5Very high97.8Very high147 Ų14740.3 Ų40.369%0.68720%0.199SC*.THydrogen-bonded Turntrans53.646.2-173.9-55.2179.5165.300111.8K3 V64 R65 D66K3-E68 HydrophobicContact CD-CB 4.46Å; V64-E68 PolarHBondContact O-N 3.11Å; V64-E68 VanDerWaalsContact O-N 3.11Å; R65-E68 PolarHBondContact O-N 3.49Å; D66-E68 VanDerWaalsContact C-N 3.27Å
69A98.8Very high97.2Very high11 Ų1140.4 Ų40.49%0.09120%0.199CC..  trans-60.8142.6179.400000110.7M5 V64 F67 L110M5-A69 HydrophobicContact CB-CB 4.18Å; V64-A69 HydrophobicContact CG1-CB 4.37Å; V64-A69 PolarHBondContact O-N 2.96Å; F67-A69 VanDerWaalsContact C-N 3.29Å; F67-A69 HydrophobicContact CD1-CB 4.16Å; F67-A69 PolarHBondContact O-N 2.81Å; A69-L110 HydrophobicContact CB-CD2 4.44Å; A69-L110 WeakPolarHBondContact O-CD2 3.33Å
70D98.6Very high96.2Very high46 Ų4637.8 Ų37.825%0.24619%0.191CC..SBendtrans-106.9-14.716563.560.6000112.6K2 K3 L110 H111K2-D70 WeakPolarHBondContact CA-OD2 3.39Å; K2-D70 WeakPolarHBondContact CB-OD2 3.27Å; K2-D70 PolarHBondContact N-OD1 3.33Å; K2-D70 PolarHBondContact N-OD2 3.48Å; K3-D70 PolarHBondContact N-OD2 2.89Å; K3-D70 PolarHBondContact O-N 3.28Å; D70-L110 CarbonylContact O-C 3.29Å; D70-L110 VanDerWaalsContact O-CA 3.29Å; D70-L110 WeakPolarHBondContact O-CA 3.3Å; D70-H111 PolarHBondContact O-N 3.18Å
71S98.8Very high95.2Very high0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-137.6138.9-178.4-57.40000110.8M1 K3 M5 H111M1-S71 WeakPolarHBondContact CB-OG 3.11Å; M1-S71 WeakPolarHBondContact CG-OG 3.21Å; K3-S71 PolarHBondContact O-N 2.71Å; M5-S71 PolarHBondContact N-O 2.83Å; S71-H111 CarbonylContact C-O 3.59Å; S71-H111 VanDerWaalsContact CA-O 3.27Å; S71-H111 WeakPolarHBondContact CA-O 3.28Å
72L98.9Very high94.4Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-125114.6176179.760.9000110M5 T7 A101 A104 L110 H111 F112 F113M5-L72 HydrophobicContact CB-CD1 3.92Å; M5-L72 HydrophobicContact CG-CD1 3.9Å; M5-L72 WeakPolarHBondContact O-CA 3.37Å; M5-L72 HydrophobicContact SD-CD1 3.96Å; T7-L72 HydrophobicContact CG2-CD1 4.01Å; L72-A101 HydrophobicContact CD2-CB 3.86Å; L72-A101 WeakPolarHBondContact CD2-O 3.4Å; L72-A104 HydrophobicContact CD2-CB 4.41Å; L72-L110 HydrophobicContact CB-CD1 3.8Å; L72-L110 HydrophobicContact CD2-CD1 4.33Å; L72-H111 PolarHBondContact N-O 2.87Å; L72-F112 HydrophobicContact CB-CD2 4.23Å; L72-F112 HydrophobicContact CD2-CD2 4.16Å; L72-F112 HydrophobicContact CD2-CE2 4.13Å; L72-F112 HydrophobicContact CG-CD2 4.2Å; L72-F112 HydrophobicContact CG-CE2 4.26Å; L72-F112 WeakPolarHBondContact O-CA 2.97Å; L72-F113 PolarHBondContact O-N 3.42Å
73M98.9Very high93.8Very high0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-104.3102.1174.6-56.7-179.5-174.200109.4M1 I4 M5 I6 T7 L17 M75 F113 I222 M226M1-M73 HydrophobicContact CE-CE 3.55Å; M1-M73 HydrophobicContact SD-CE 3.27Å; M1-M73 WeakPolarHBondContact SD-CE 2.99Å; I4-M73 HydrophobicContact CD1-CE 4.27Å; I4-M73 HydrophobicContact CG2-CE 3.84Å; I4-M73 HydrophobicContact CG2-CG 4.14Å; I4-M73 HydrophobicContact CG2-SD 4.04Å; M5-M73 PolarHBondContact O-N 2.69Å; I6-M73 WeakPolarHBondContact CA-O 3.15Å; I6-M73 HydrophobicContact CD1-SD 4.5Å; I6-M73 HydrophobicContact CG1-CB 4.27Å; I6-M73 HydrophobicContact CG1-SD 4.49Å; T7-M73 PolarHBondContact N-O 2.95Å; T7-M73 VanDerWaalsContact N-O 3.1Å; L17-M73 HydrophobicContact CD1-SD 4.3Å; L17-M73 HydrophobicContact CD2-CB 4.42Å; L17-M73 HydrophobicContact CD2-SD 3.79Å; L17-M73 HydrophobicContact CG-SD 4.26Å; M73-M75 PolarHBondContact O-N 3.4Å; M73-F113 HydrophobicContact CB-CB 4.42Å; M73-F113 HydrophobicContact CB-CD1 4.43Å; M73-F113 HydrophobicContact CG-CB 4.17Å; M73-I222 HydrophobicContact SD-CG2 4.16Å; M73-M226 HydrophobicContact CE-CB 4.47Å; M73-M226 HydrophobicContact CE-CE 4.35Å; M73-M226 HydrophobicContact CE-CG 4.13Å
74H98.8Very high93.2Very high3 Ų341 Ų411%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-88.797.8-174.3-175.761.7000111.5T7 L98 A101 F112 F113 T114 P115T7-H74 WeakPolarHBondContact OG1-CA 3.34Å; T7-H74 PolarHBondContact OG1-ND1 3.11Å; H74-L98 PolarHBondContact NE2-N 2.95Å; H74-A101 HydrophobicContact CB-CB 4.24Å; H74-F112 HydrophobicContact CB-CE2 3.8Å; H74-F112 HydrophobicContact CB-CZ 3.75Å; H74-F113 PolarHBondContact N-O 3.26Å; H74-T114 PolarHBondContact O-OG1 3.41Å; H74-P115 WeakPolarHBondContact O-CD 3.48Å
75M97.7Very high92.7Very high21 Ų2148.9 Ų48.910%0.10325%0.25CS..  trans-101.6-5-178.5-49.3-58.1-66.200114I6 T7 I13 L17 M73 A77 F113 P115 I222I6-M75 HydrophobicContact CG2-CG 4.08Å; T7-M75 CarbonylContact O-C 3.5Å; T7-M75 VanDerWaalsContact O-CA 3.27Å; T7-M75 WeakPolarHBondContact O-CA 3.45Å; T7-M75 WeakPolarHBondContact O-CB 3.4Å; T7-M75 PolarHBondContact O-N 3.32Å; I13-M75 HydrophobicContact CB-CE 3.69Å; I13-M75 HydrophobicContact CD1-CE 4.01Å; I13-M75 HydrophobicContact CG1-CE 4.47Å; I13-M75 HydrophobicContact CG2-CE 3.37Å; L17-M75 HydrophobicContact CD2-CG 4.19Å; L17-M75 HydrophobicContact CD2-SD 4.14Å; M73-M75 PolarHBondContact O-N 3.4Å; M75-A77 PolarHBondContact O-N 2.87Å; M75-F113 HydrophobicContact CE-CE1 4.42Å; M75-F113 HydrophobicContact SD-CD1 4.03Å; M75-F113 HydrophobicContact SD-CE1 3.81Å; M75-P115 HydrophobicContact CE-CB 4.35Å; M75-P115 HydrophobicContact CE-CG 3.8Å; M75-P115 HydrophobicContact SD-CG 4.06Å; M75-I222 HydrophobicContact CE-CD1 4.24Å
76A95.9Very high92.4Very high18 Ų1846.2 Ų46.215%0.14925%0.246CC..  trans-69122.3-177.900000110.6T7 V54T7-A76 PolarHBondContact O-N 3.35Å; V54-A76 HydrophobicContact CB-CB 4.5Å; V54-A76 HydrophobicContact CG1-CB 3.76Å; V54-A76 HydrophobicContact CG2-CB 4.01Å
77A93.1Very high92.2Very high34 Ų3444.6 Ų44.628%0.28124%0.24SC..  trans-161.2152173.600000111.5M75 N94M75-A77 PolarHBondContact O-N 2.87Å; A77-N94 VanDerWaalsContact CA-OD1 3.23Å; A77-N94 WeakPolarHBondContact CA-OD1 3.36Å
78L89.5Confident92.2Very high30 Ų3049.5 Ų49.516%0.15727%0.267CS..  trans-87.1122.7160.5-86.5158000109.4T82 A83 L89 A90 L93 N94 Y142L78-T82 HydrophobicContact CD2-CG2 3.52Å; L78-A83 HydrophobicContact CB-CB 4.5Å; L78-L89 HydrophobicContact CD1-CB 4.39Å; L78-L89 HydrophobicContact CD1-CD2 3.82Å; L78-L89 HydrophobicContact CD1-CG 3.59Å; L78-A90 HydrophobicContact CB-CB 4.44Å; L78-L93 HydrophobicContact CB-CD2 4.39Å; L78-L93 HydrophobicContact CD1-CB 4.23Å; L78-L93 HydrophobicContact CD1-CD1 4.44Å; L78-L93 HydrophobicContact CD1-CD2 4.28Å; L78-L93 HydrophobicContact CG-CD2 4.16Å; L78-N94 PolarHBondContact N-OD1 3.02Å; L78-N94 PolarHBondContact O-ND2 3.31Å; L78-Y142 VanDerWaalsContact O-CD2 3.23Å; L78-Y142 WeakPolarHBondContact O-CD2 3.45Å
79L85.1Confident92.1Very high104 Ų10447 Ų4755%0.54526%0.257SS..  trans-76.6167.1-178.1-57.8-178.4000112.8A81 T82 A83 Y142L79-A81 PolarHBondContact O-N 2.79Å; L79-T82 PolarHBondContact O-N 2.78Å; L79-A83 VanDerWaalsContact O-CB 3.24Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 2.9Å; L79-Y142 HydrophobicContact CD2-CE2 4.16Å
80S78.7Confident91.9Very high10 Ų1046.4 Ų46.47%0.0725%0.253CS..Hα-helixtrans-42.6-64.5-17256.10000115T82 A83 E84S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 2.83Å; S80-A83 PolarHBondContact O-N 3.06Å; S80-E84 WeakPolarHBondContact O-CG 3.4Å; S80-E84 PolarHBondContact O-N 2.75Å
81A77Confident91.9Very high32 Ų3250 Ų5026%0.26426%0.263SS..Hα-helixtrans-61.9-34.7-174.200000113.4L79 K85L79-A81 PolarHBondContact O-N 2.79Å; A81-K85 WeakPolarHBondContact O-CG 3.23Å
82T81.8Confident91.8Very high68 Ų6854.2 Ų54.242%0.41729%0.285SS..Hα-helixtrans-80.3-34.6179.5-49.30000111.6L78 L79 S80 K85 N86L78-T82 HydrophobicContact CD2-CG2 3.52Å; L79-T82 PolarHBondContact O-N 2.78Å; S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 2.83Å; T82-K85 PolarHBondContact O-N 2.77Å; T82-N86 PolarHBondContact O-N 2.69Å; T82-N86 PolarHBondContact O-ND2 2.7Å
83A87.3Confident91.7Very high0 Ų055.8 Ų55.80%029%0.293CS..Hα-helixtrans-65.7-41.4176.500000111.7L78 L79 S80 K85 N86 P87 A90L78-A83 HydrophobicContact CB-CB 4.5Å; L79-A83 VanDerWaalsContact O-CB 3.24Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 2.9Å; S80-A83 PolarHBondContact O-N 3.06Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 2.91Å; A83-N86 CarbonylContact O-C 3.5Å; A83-N86 PolarHBondContact O-N 2.92Å; A83-P87 WeakPolarHBondContact O-CA 3.31Å; A83-P87 VanDerWaalsContact O-N 3.15Å; A83-A90 HydrophobicContact CB-CB 3.57Å
84E84.9Confident91.6Very high86 Ų8656.3 Ų56.340%0.40230%0.296SS..Hα-helixtrans-60.6-36.3174.8-70.3-46.7110.200112.5S80 N86 T140 M141S80-E84 WeakPolarHBondContact O-CG 3.4Å; S80-E84 PolarHBondContact O-N 2.75Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.87Å; E84-T140 VanDerWaalsContact OE1-CA 3.29Å; E84-T140 WeakPolarHBondContact OE1-CA 3.04Å; E84-T140 VanDerWaalsContact OE1-CB 3.28Å; E84-T140 WeakPolarHBondContact OE1-CB 3.47Å; E84-M141 WeakPolarHBondContact OE1-CB 3.42Å; E84-M141 PolarHBondContact OE1-N 2.88Å
85K88.4Confident91.6Very high167 Ų16757.1 Ų57.173%0.72630%0.3SS*.Hα-helixtrans-71.4-25.6176.6-67.8174.3-175.3177.50112.5A81 T82 A83A81-K85 WeakPolarHBondContact O-CG 3.23Å; T82-K85 PolarHBondContact O-N 2.77Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 2.91Å
86N93.1Very high91.6Very high75 Ų7557.4 Ų57.440%0.40131%0.309SS..  trans-139.866.2-172.7-55.5-80.4000111.9T82 A83 E84 I88 L89 A90T82-N86 PolarHBondContact O-N 2.69Å; T82-N86 PolarHBondContact O-ND2 2.7Å; A83-N86 CarbonylContact O-C 3.5Å; A83-N86 PolarHBondContact O-N 2.92Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.87Å; N86-I88 PolarHBondContact O-N 2.91Å; N86-L89 HydrophobicContact CB-CB 4.04Å; N86-L89 HydrophobicContact CB-CD2 4.35Å; N86-L89 PolarHBondContact O-N 3.47Å; N86-A90 WeakPolarHBondContact O-CB 3.27Å; N86-A90 PolarHBondContact O-N 3.3Å
87P94.9Very high91.8Very high59 Ų5956.5 Ų56.538%0.38330%0.302SS..Hα-helixtrans-64.6-34.9-168.421.9-33.4000114.3A83 A90 W91 M141A83-P87 WeakPolarHBondContact O-CA 3.31Å; A83-P87 VanDerWaalsContact O-N 3.15Å; P87-A90 PolarHBondContact O-N 3.39Å; P87-W91 PolarHBondContact O-N 2.91Å; P87-M141 HydrophobicContact CB-CE 3.82Å; P87-M141 HydrophobicContact CB-CG 4.27Å
88I97.3Very high92Very high129 Ų12955.2 Ų55.266%0.66229%0.29SS*.Hα-helixtrans-65.7-50.4176.6-64174.8000110N86 A90 W91 D92N86-I88 PolarHBondContact O-N 2.91Å; I88-A90 VanDerWaalsContact C-N 3.27Å; I88-A90 PolarHBondContact O-N 2.78Å; I88-W91 PolarHBondContact O-N 3.16Å; I88-W91 VanDerWaalsContact O-N 3.13Å; I88-D92 PolarHBondContact O-N 2.7Å
89L96.4Very high92.5Very high93 Ų9357.3 Ų57.349%0.48730%0.3SS..Hα-helixtrans-59.7-41177.4179.765.8000111.3L78 N86 W91 D92 L93L78-L89 HydrophobicContact CD1-CB 4.39Å; L78-L89 HydrophobicContact CD1-CD2 3.82Å; L78-L89 HydrophobicContact CD1-CG 3.59Å; N86-L89 HydrophobicContact CB-CB 4.04Å; N86-L89 HydrophobicContact CB-CD2 4.35Å; N86-L89 PolarHBondContact O-N 3.47Å; L89-W91 VanDerWaalsContact C-N 3.35Å; L89-D92 PolarHBondContact O-N 2.98Å; L89-L93 VanDerWaalsContact O-CB 3.23Å; L89-L93 WeakPolarHBondContact O-CB 3.21Å; L89-L93 PolarHBondContact O-N 3.12Å
90A95.4Very high93.1Very high0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-61.2-43.4176.100000111.8L78 A83 N86 P87 I88 N94 M141L78-A90 HydrophobicContact CB-CB 4.44Å; A83-A90 HydrophobicContact CB-CB 3.57Å; N86-A90 WeakPolarHBondContact O-CB 3.27Å; N86-A90 PolarHBondContact O-N 3.3Å; P87-A90 PolarHBondContact O-N 3.39Å; I88-A90 VanDerWaalsContact C-N 3.27Å; I88-A90 PolarHBondContact O-N 2.78Å; A90-N94 WeakPolarHBondContact O-CA 3.39Å; A90-N94 WeakPolarHBondContact O-CB 3.42Å; A90-N94 PolarHBondContact O-N 3.25Å; A90-N94 PolarHBondContact O-ND2 3.2Å; A90-M141 HydrophobicContact CB-CG 3.9Å
91W97.7Very high94.1Very high121 Ų12153.1 Ų53.146%0.45828%0.277SS..Hα-helixtrans-64-51176.2-174.8-88.4000111.9P87 I88 L89 L93 M95 G96 M141 V144 N145P87-W91 PolarHBondContact O-N 2.91Å; I88-W91 PolarHBondContact O-N 3.16Å; I88-W91 VanDerWaalsContact O-N 3.13Å; L89-W91 VanDerWaalsContact C-N 3.35Å; W91-L93 VanDerWaalsContact C-N 3.32Å; W91-L93 PolarHBondContact O-N 3.16Å; W91-M95 HydrophobicContact CD2-CB 4.37Å; W91-M95 HydrophobicContact CD2-CG 3.9Å; W91-M95 HydrophobicContact CE3-CG 3.96Å; W91-M95 HydrophobicContact CG-CG 4.48Å; W91-M95 HydrophobicContact CH2-CG 4.17Å; W91-M95 HydrophobicContact CZ2-CB 4.48Å; W91-M95 HydrophobicContact CZ2-CG 4.12Å; W91-M95 HydrophobicContact CZ3-CG 4.09Å; W91-M95 WeakPolarHBondContact O-CA 3.48Å; W91-M95 VanDerWaalsContact O-CB 3.24Å; W91-M95 WeakPolarHBondContact O-CB 3.23Å; W91-M95 PolarHBondContact O-N 3.18Å; W91-G96 PolarHBondContact O-N 3.21Å; W91-M141 HydrophobicContact CE3-SD 4.08Å; W91-V144 HydrophobicContact CZ3-CG1 4.29Å; W91-N145 VanDerWaalsContact CE3-ND2 3.29Å
92D97.1Very high95.1Very high88 Ų8851.6 Ų51.647%0.47127%0.265SS..Iπ-helixtrans-61.5-41.7-177.5-68-19.2000111.4I88 L89 G96 G97I88-D92 PolarHBondContact O-N 2.7Å; L89-D92 PolarHBondContact O-N 2.98Å; D92-G96 WeakPolarHBondContact O-CA 3.4Å; D92-G96 PolarHBondContact O-N 2.89Å; D92-G97 PolarHBondContact O-N 2.81Å
93L96.8Very high95.9Very high33 Ų3350.3 Ų50.317%0.17325%0.254CS..Iπ-helixtrans-75.8-53.1178.3-174.4136.9000112.4V54 L78 L89 W91 G97V54-L93 HydrophobicContact CG2-CG 4.44Å; L78-L93 HydrophobicContact CB-CD2 4.39Å; L78-L93 HydrophobicContact CD1-CB 4.23Å; L78-L93 HydrophobicContact CD1-CD1 4.44Å; L78-L93 HydrophobicContact CD1-CD2 4.28Å; L78-L93 HydrophobicContact CG-CD2 4.16Å; L89-L93 VanDerWaalsContact O-CB 3.23Å; L89-L93 WeakPolarHBondContact O-CB 3.21Å; L89-L93 PolarHBondContact O-N 3.12Å; W91-L93 VanDerWaalsContact C-N 3.32Å; W91-L93 PolarHBondContact O-N 3.16Å; L93-G97 VanDerWaalsContact O-CA 3.3Å; L93-G97 WeakPolarHBondContact O-CA 3.41Å; L93-G97 PolarHBondContact O-N 3.42Å
94N97.7Very high96.5Very high11 Ų1150.3 Ų50.36%0.05925%0.254CS..Iπ-helixtrans-70.9-39.6-173.8-64.3-15.5000112.1A77 L78 A90 L98 N145A77-N94 VanDerWaalsContact CA-OD1 3.23Å; A77-N94 WeakPolarHBondContact CA-OD1 3.36Å; L78-N94 PolarHBondContact N-OD1 3.02Å; L78-N94 PolarHBondContact O-ND2 3.31Å; A90-N94 WeakPolarHBondContact O-CA 3.39Å; A90-N94 WeakPolarHBondContact O-CB 3.42Å; A90-N94 PolarHBondContact O-N 3.25Å; A90-N94 PolarHBondContact O-ND2 3.2Å; N94-L98 WeakPolarHBondContact O-CB 3.46Å; N94-N145 HydrophobicContact CB-CB 3.83Å; N94-N145 PolarHBondContact ND2-OD1 2.65Å
95M98.3Very high97.1Very high20 Ų2046.2 Ų46.210%0.09924%0.235CC..Iπ-helixtrans-93.6-42.3-179-60.4-53.4-52.500112.3W91 L98 M99 N145 A148 L152W91-M95 HydrophobicContact CD2-CB 4.37Å; W91-M95 HydrophobicContact CD2-CG 3.9Å; W91-M95 HydrophobicContact CE3-CG 3.96Å; W91-M95 HydrophobicContact CG-CG 4.48Å; W91-M95 HydrophobicContact CH2-CG 4.17Å; W91-M95 HydrophobicContact CZ2-CB 4.48Å; W91-M95 HydrophobicContact CZ2-CG 4.12Å; W91-M95 HydrophobicContact CZ3-CG 4.09Å; W91-M95 WeakPolarHBondContact O-CA 3.48Å; W91-M95 VanDerWaalsContact O-CB 3.24Å; W91-M95 WeakPolarHBondContact O-CB 3.23Å; W91-M95 PolarHBondContact O-N 3.18Å; M95-L98 HydrophobicContact CE-CD2 4.41Å; M95-L98 PolarHBondContact O-N 3.14Å; M95-M99 VanDerWaalsContact O-CB 3.3Å; M95-M99 WeakPolarHBondContact O-CB 3.35Å; M95-M99 PolarHBondContact O-N 3.12Å; M95-N145 HydrophobicContact CG-CB 4.43Å; M95-N145 WeakPolarHBondContact CG-ND2 3.31Å; M95-N145 HydrophobicContact SD-CB 3.93Å; M95-A148 HydrophobicContact CE-CB 3.67Å; M95-A148 HydrophobicContact SD-CB 3.89Å; M95-L152 HydrophobicContact CE-CD2 4.35Å
96G98.1Very high97.6Very high27 Ų2743 Ų4328%0.27822%0.218SC..Iπ-helixtrans-65.5-45.6176.600000111.7W91 D92 L98 M99 N100W91-G96 PolarHBondContact O-N 3.21Å; D92-G96 WeakPolarHBondContact O-CA 3.4Å; D92-G96 PolarHBondContact O-N 2.89Å; G96-L98 PolarHBondContact O-N 2.88Å; G96-M99 PolarHBondContact O-N 3.48Å; G96-N100 PolarHBondContact O-N 2.97Å; G96-N100 PolarHBondContact O-ND2 3.48Å
97G98.5Very high97.9Very high0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-59.2-45.9174.100000112.8D92 L93 M99 N100 A101D92-G97 PolarHBondContact O-N 2.81Å; L93-G97 VanDerWaalsContact O-CA 3.3Å; L93-G97 WeakPolarHBondContact O-CA 3.41Å; L93-G97 PolarHBondContact O-N 3.42Å; G97-M99 PolarHBondContact O-N 2.91Å; G97-N100 PolarHBondContact O-N 3.5Å; G97-A101 WeakPolarHBondContact O-CB 3.08Å; G97-A101 PolarHBondContact O-N 2.87Å
98L98.7Very high98.1Very high6 Ų643.5 Ų43.53%0.03121%0.214CC..Hα-helixtrans-61.9-43.5176.3175.561.6000112.1H74 N94 M95 G96 N100 A101 L102 F112 T114 L152H74-L98 PolarHBondContact NE2-N 2.95Å; N94-L98 WeakPolarHBondContact O-CB 3.46Å; M95-L98 HydrophobicContact CE-CD2 4.41Å; M95-L98 PolarHBondContact O-N 3.14Å; G96-L98 PolarHBondContact O-N 2.88Å; L98-N100 PolarHBondContact O-N 3.4Å; L98-A101 PolarHBondContact O-N 2.9Å; L98-L102 HydrophobicContact CD1-CD1 3.98Å; L98-L102 HydrophobicContact CD1-CG 4.03Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 HydrophobicContact CG-CG 4.41Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.41Å; L98-F112 HydrophobicContact CD1-CE1 3.91Å; L98-F112 HydrophobicContact CD1-CZ 3.62Å; L98-T114 HydrophobicContact CD1-CG2 4.13Å; L98-L152 HydrophobicContact CD2-CD2 4.32Å; L98-L152 HydrophobicContact CG-CD2 4.46Å
99M98.6Very high98.1Very high75 Ų7543.8 Ų43.837%0.36922%0.218SC..Hα-helixtrans-62.5-43.7179.2-173.767.4-174.300111.3M95 G96 G97 A101 L102 E103 L152 Y156M95-M99 VanDerWaalsContact O-CB 3.3Å; M95-M99 WeakPolarHBondContact O-CB 3.35Å; M95-M99 PolarHBondContact O-N 3.12Å; G96-M99 PolarHBondContact O-N 3.48Å; G97-M99 PolarHBondContact O-N 2.91Å; M99-A101 VanDerWaalsContact C-N 3.33Å; M99-A101 PolarHBondContact O-N 3.22Å; M99-L102 PolarHBondContact O-N 2.87Å; M99-E103 HydrophobicContact CE-CG 4.13Å; M99-E103 WeakPolarHBondContact O-CB 3.41Å; M99-E103 WeakPolarHBondContact O-CG 3.21Å; M99-E103 PolarHBondContact O-N 3.43Å; M99-L152 HydrophobicContact SD-CD2 4.11Å; M99-Y156 WeakPolarHBondContact CE-OH 3.48Å; M99-Y156 HydrophobicContact SD-CE2 4.28Å; M99-Y156 PolarHBondContact SD-OH 2.94Å
100N98.8Very high98.2Very high26 Ų2639.5 Ų39.514%0.13920%0.195CC..Hα-helixtrans-60.7-44.2175.3-71.1-20000111.3V54 T55 R57 M60 G96 G97 L98 E103 A104V54-N100 PolarHBondContact O-ND2 3.21Å; T55-N100 PolarHBondContact O-ND2 2.71Å; T55-N100 VanDerWaalsContact O-ND2 3.13Å; R57-N100 HydrophobicContact CB-CB 4.38Å; R57-N100 HydrophobicContact CG-CB 4.38Å; M60-N100 HydrophobicContact CE-CB 4.13Å; M60-N100 HydrophobicContact SD-CB 4.08Å; G96-N100 PolarHBondContact O-N 2.97Å; G96-N100 PolarHBondContact O-ND2 3.48Å; G97-N100 PolarHBondContact O-N 3.5Å; L98-N100 PolarHBondContact O-N 3.4Å; N100-E103 PolarHBondContact O-N 3.22Å; N100-A104 WeakPolarHBondContact O-CB 2.96Å; N100-A104 PolarHBondContact O-N 2.95Å
101A98.8Very high98.3Very high0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-66.2-40.6179.900000112.5M60 L72 H74 G97 L98 M99 A104 A105 F112M60-A101 HydrophobicContact CE-CB 4.24Å; M60-A101 WeakPolarHBondContact SD-CA 3.43Å; M60-A101 HydrophobicContact SD-CB 3.92Å; M60-A101 PolarHBondContact SD-N 3.29Å; L72-A101 HydrophobicContact CD2-CB 3.86Å; L72-A101 WeakPolarHBondContact CD2-O 3.4Å; H74-A101 HydrophobicContact CB-CB 4.24Å; G97-A101 WeakPolarHBondContact O-CB 3.08Å; G97-A101 PolarHBondContact O-N 2.87Å; L98-A101 PolarHBondContact O-N 2.9Å; M99-A101 VanDerWaalsContact C-N 3.33Å; M99-A101 PolarHBondContact O-N 3.22Å; A101-A104 PolarHBondContact O-N 3.12Å; A101-A105 WeakPolarHBondContact O-CB 3.36Å; A101-A105 PolarHBondContact O-N 3.38Å; A101-F112 HydrophobicContact CB-CE2 3.68Å; A101-F112 HydrophobicContact CB-CZ 4.2Å
102L98.9Very high98.4Very high0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-66-38.9173.8-76.9171.7000112.4L98 M99 A105 R106 F112 L152 Y156 T164L98-L102 HydrophobicContact CD1-CD1 3.98Å; L98-L102 HydrophobicContact CD1-CG 4.03Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 HydrophobicContact CG-CG 4.41Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.41Å; M99-L102 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 2.81Å; L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 3.1Å; L102-F112 HydrophobicContact CD2-CD1 3.66Å; L102-F112 HydrophobicContact CD2-CE1 3.64Å; L102-F112 HydrophobicContact CD2-CG 4.12Å; L102-F112 HydrophobicContact CD2-CZ 4.11Å; L102-F112 HydrophobicContact CG-CE1 4.16Å; L102-F112 HydrophobicContact CG-CZ 4.21Å; L102-L152 HydrophobicContact CD1-CB 4.36Å; L102-L152 HydrophobicContact CD1-CD2 3.71Å; L102-L152 HydrophobicContact CD1-CG 3.64Å; L102-Y156 HydrophobicContact CB-CD1 3.91Å; L102-Y156 HydrophobicContact CB-CD2 4.42Å; L102-Y156 HydrophobicContact CB-CE1 3.79Å; L102-Y156 HydrophobicContact CB-CE2 4.32Å; L102-Y156 HydrophobicContact CB-CG 4.23Å; L102-Y156 HydrophobicContact CD1-CD2 3.94Å; L102-Y156 HydrophobicContact CD1-CE2 4.16Å; L102-Y156 HydrophobicContact CD1-CG 4.24Å; L102-Y156 HydrophobicContact CD2-CD1 4.35Å; L102-Y156 HydrophobicContact CD2-CG 4.15Å; L102-Y156 HydrophobicContact CG-CG 4.47Å; L102-T164 HydrophobicContact CD2-CG2 3.66Å
103E98.8Very high98.5Very high41 Ų4133.1 Ų33.119%0.19217%0.167CC..Hα-helixtrans-68.8-35.6175.3-78-64.1109.700112.4F61 M99 N100 R106 T107 Y156F61-E103 HydrophobicContact CE2-CB 4.35Å; F61-E103 HydrophobicContact CZ-CB 3.98Å; M99-E103 HydrophobicContact CE-CG 4.13Å; M99-E103 WeakPolarHBondContact O-CB 3.41Å; M99-E103 WeakPolarHBondContact O-CG 3.21Å; M99-E103 PolarHBondContact O-N 3.43Å; N100-E103 PolarHBondContact O-N 3.22Å; E103-R106 PolarHBondContact O-N 2.79Å; E103-R106 IonicContact OE1-CZ 3.4Å; E103-R106 IonicContact OE1-NE 3.26Å; E103-R106 PolarHBondContact OE1-NE 2.78Å; E103-R106 IonicContact OE1-NH2 2.71Å; E103-R106 IonicContact OE2-CZ 3.75Å; E103-R106 IonicContact OE2-NE 3.95Å; E103-R106 PolarHBondContact OE2-NE 2.86Å; E103-R106 IonicContact OE2-NH2 3.76Å; E103-R106 PolarHBondContact OE2-NH2 2.88Å; E103-T107 VanDerWaalsContact O-CB 3.27Å; E103-T107 WeakPolarHBondContact O-CB 3.2Å; E103-T107 PolarHBondContact O-N 2.88Å; E103-T107 PolarHBondContact O-OG1 2.89Å; E103-Y156 WeakPolarHBondContact OE1-CE1 3.27Å; E103-Y156 VanDerWaalsContact OE1-CZ 3.26Å; E103-Y156 PolarHBondContact OE1-OH 2.74Å
104A98.9Very high98.6Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-63-48.2170.400000110.3M60 F61 V64 L72 N100 A101 R106 T107 Y108M60-A104 HydrophobicContact CG-CB 4.43Å; M60-A104 HydrophobicContact SD-CB 4.25Å; F61-A104 HydrophobicContact CD2-CB 3.88Å; F61-A104 HydrophobicContact CE2-CB 3.65Å; F61-A104 HydrophobicContact CZ-CB 4.29Å; V64-A104 HydrophobicContact CG2-CB 4.34Å; L72-A104 HydrophobicContact CD2-CB 4.41Å; N100-A104 WeakPolarHBondContact O-CB 2.96Å; N100-A104 PolarHBondContact O-N 2.95Å; A101-A104 PolarHBondContact O-N 3.12Å; A104-R106 VanDerWaalsContact C-N 3.3Å; A104-R106 PolarHBondContact O-N 3.49Å; A104-T107 PolarHBondContact O-N 2.92Å; A104-T107 VanDerWaalsContact O-N 3.15Å; A104-Y108 WeakPolarHBondContact O-CD2 3.21Å; A104-Y108 PolarHBondContact O-N 2.87Å
105A98.8Very high98.6Very high0 Ų032.2 Ų32.20%016%0.164CC..Hα-helixtrans-58.1-41.6176.600000112.5A101 L102 N109 L110 F112 V162A101-A105 WeakPolarHBondContact O-CB 3.36Å; A101-A105 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 2.81Å; A105-N109 CarbonylContact O-C 3.6Å; A105-N109 VanDerWaalsContact O-CA 3.3Å; A105-N109 WeakPolarHBondContact O-CA 3.4Å; A105-N109 PolarHBondContact O-N 2.78Å; A105-L110 HydrophobicContact CB-CB 4.05Å; A105-L110 HydrophobicContact CB-CD1 4.45Å; A105-L110 HydrophobicContact CB-CG 4.48Å; A105-L110 PolarHBondContact O-N 2.95Å; A105-F112 HydrophobicContact CB-CB 3.99Å; A105-F112 HydrophobicContact CB-CD2 3.96Å; A105-F112 HydrophobicContact CB-CG 4.26Å; A105-V162 HydrophobicContact CB-CG1 3.78Å
106R98.7Very high98.6Very high98 Ų9831.5 Ų31.537%0.3716%0.161SC..Hα-helixtrans-65.7-42.8175.4-168.6-175.465.268.22.4112.5L102 E103 A104 Y156 F160 V162L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 3.1Å; E103-R106 PolarHBondContact O-N 2.79Å; E103-R106 IonicContact OE1-CZ 3.4Å; E103-R106 IonicContact OE1-NE 3.26Å; E103-R106 PolarHBondContact OE1-NE 2.78Å; E103-R106 IonicContact OE1-NH2 2.71Å; E103-R106 IonicContact OE2-CZ 3.75Å; E103-R106 IonicContact OE2-NE 3.95Å; E103-R106 PolarHBondContact OE2-NE 2.86Å; E103-R106 IonicContact OE2-NH2 3.76Å; E103-R106 PolarHBondContact OE2-NH2 2.88Å; A104-R106 VanDerWaalsContact C-N 3.3Å; A104-R106 PolarHBondContact O-N 3.49Å; R106-Y156 HydrophobicContact CB-CD1 4.46Å; R106-Y156 HydrophobicContact CB-CE1 4.31Å; R106-F160 HydrophobicContact CG-CB 4.1Å; R106-F160 HydrophobicContact CG-CG 4.32Å; R106-V162 HydrophobicContact CB-CG2 3.73Å; R106-V162 HydrophobicContact CG-CG2 3.91Å
107T98.7Very high98.5Very high66 Ų6630.8 Ų30.841%0.40515%0.152SC..Hα-helixtrans-71.3-40.2-174.9-61.10000111.9F61 E103 A104F61-T107 HydrophobicContact CD1-CG2 4.45Å; F61-T107 HydrophobicContact CE1-CG2 3.97Å; E103-T107 VanDerWaalsContact O-CB 3.27Å; E103-T107 WeakPolarHBondContact O-CB 3.2Å; E103-T107 PolarHBondContact O-N 2.88Å; E103-T107 PolarHBondContact O-OG1 2.89Å; A104-T107 PolarHBondContact O-N 2.92Å; A104-T107 VanDerWaalsContact O-N 3.15Å
108Y98.6Very high98.4Very high79 Ų7931 Ų3131%0.3115%0.153SC..Hα-helixtrans-104.17.7-175.3-61.3-77.8000113.7F61 V64 R65 A104F61-Y108 HydrophobicContact CB-CE2 4.13Å; F61-Y108 AromaticContact CD1-CE2 3.6Å; F61-Y108 HydrophobicContact CD1-CE2 3.6Å; F61-Y108 HydrophobicContact CE1-CE2 4.2Å; F61-Y108 AromaticContact CG-CE2 3.94Å; F61-Y108 HydrophobicContact CG-CE2 3.94Å; V64-Y108 HydrophobicContact CB-CD2 4.24Å; V64-Y108 HydrophobicContact CB-CE2 4.48Å; V64-Y108 HydrophobicContact CG1-CD1 4.38Å; V64-Y108 HydrophobicContact CG1-CD2 3.44Å; V64-Y108 VanDerWaalsContact CG1-CD2 3.44Å; V64-Y108 HydrophobicContact CG1-CE2 4.11Å; V64-Y108 HydrophobicContact CG1-CG 3.6Å; R65-Y108 HydrophobicContact CB-CE1 3.88Å; R65-Y108 HydrophobicContact CG-CE1 4.19Å; A104-Y108 WeakPolarHBondContact O-CD2 3.21Å; A104-Y108 PolarHBondContact O-N 2.87Å
109N98Very high98.1Very high136 Ų13630.7 Ų30.773%0.72715%0.151SC*.THydrogen-bonded Turntrans55.753178.1-169.764000112.9A105A105-N109 CarbonylContact O-C 3.6Å; A105-N109 VanDerWaalsContact O-CA 3.3Å; A105-N109 WeakPolarHBondContact O-CA 3.4Å; A105-N109 PolarHBondContact O-N 2.78Å
110L98.6Very high98.1Very high3 Ų327.1 Ų27.12%0.01613%0.133CC..  trans-91.3149.8-177.4-45.6-179.9000111.7V64 A69 D70 L72 A105V64-L110 HydrophobicContact CG1-CD1 3.76Å; V64-L110 HydrophobicContact CG1-CD2 4.21Å; V64-L110 HydrophobicContact CG1-CG 4.47Å; V64-L110 HydrophobicContact CG2-CD1 4.21Å; A69-L110 HydrophobicContact CB-CD2 4.44Å; A69-L110 WeakPolarHBondContact O-CD2 3.33Å; D70-L110 CarbonylContact O-C 3.29Å; D70-L110 VanDerWaalsContact O-CA 3.29Å; D70-L110 WeakPolarHBondContact O-CA 3.3Å; L72-L110 HydrophobicContact CB-CD1 3.8Å; L72-L110 HydrophobicContact CD2-CD1 4.33Å; A105-L110 HydrophobicContact CB-CB 4.05Å; A105-L110 HydrophobicContact CB-CD1 4.45Å; A105-L110 HydrophobicContact CB-CG 4.48Å; A105-L110 PolarHBondContact O-N 2.95Å
111H98.2Very high98Very high75 Ų7526 Ų2635%0.34713%0.127SC..EExtended strand (participates in β ladder)trans-71.4134.5157.3-68-160.6000108.4D70 S71 L72 D163 M226D70-H111 PolarHBondContact O-N 3.18Å; S71-H111 CarbonylContact C-O 3.59Å; S71-H111 VanDerWaalsContact CA-O 3.27Å; S71-H111 WeakPolarHBondContact CA-O 3.28Å; L72-H111 PolarHBondContact N-O 2.87Å; H111-D163 IonicContact CD2-OD2 3.88Å; H111-D163 IonicContact CE1-OD2 3.93Å; H111-D163 IonicContact CG-OD2 2.78Å; H111-D163 IonicContact ND1-OD2 2.86Å; H111-D163 IonicContact NE2-OD2 3.83Å; H111-M226 HydrophobicContact CB-CE 3.74Å
112F98.8Very high97.9Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-124.3132-170.9-178.8-94.7000111.6L72 H74 L98 A101 L102 A105 T114 V162 D163 T164 R165L72-F112 HydrophobicContact CB-CD2 4.23Å; L72-F112 HydrophobicContact CD2-CD2 4.16Å; L72-F112 HydrophobicContact CD2-CE2 4.13Å; L72-F112 HydrophobicContact CG-CD2 4.2Å; L72-F112 HydrophobicContact CG-CE2 4.26Å; L72-F112 WeakPolarHBondContact O-CA 2.97Å; H74-F112 HydrophobicContact CB-CE2 3.8Å; H74-F112 HydrophobicContact CB-CZ 3.75Å; L98-F112 HydrophobicContact CD1-CE1 3.91Å; L98-F112 HydrophobicContact CD1-CZ 3.62Å; A101-F112 HydrophobicContact CB-CE2 3.68Å; A101-F112 HydrophobicContact CB-CZ 4.2Å; L102-F112 HydrophobicContact CD2-CD1 3.66Å; L102-F112 HydrophobicContact CD2-CE1 3.64Å; L102-F112 HydrophobicContact CD2-CG 4.12Å; L102-F112 HydrophobicContact CD2-CZ 4.11Å; L102-F112 HydrophobicContact CG-CE1 4.16Å; L102-F112 HydrophobicContact CG-CZ 4.21Å; A105-F112 HydrophobicContact CB-CB 3.99Å; A105-F112 HydrophobicContact CB-CD2 3.96Å; A105-F112 HydrophobicContact CB-CG 4.26Å; F112-T114 HydrophobicContact CE1-CG2 3.74Å; F112-T114 HydrophobicContact CZ-CG2 4.39Å; F112-V162 HydrophobicContact CB-CG1 4.37Å; F112-D163 PolarHBondContact N-O 3.31Å; F112-T164 HydrophobicContact CB-CG2 4.36Å; F112-T164 HydrophobicContact CD1-CG2 4.03Å; F112-T164 CarbonylContact O-C 3.58Å; F112-T164 WeakPolarHBondContact O-CA 3.3Å; F112-R165 PolarHBondContact O-N 3.16Å
113F98.8Very high97.7Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-124140.9170.9177.5-96.2000111.5L72 M73 H74 M75 P115 R165 V167 F169 I222 L225 M226L72-F113 PolarHBondContact O-N 3.42Å; M73-F113 HydrophobicContact CB-CB 4.42Å; M73-F113 HydrophobicContact CB-CD1 4.43Å; M73-F113 HydrophobicContact CG-CB 4.17Å; H74-F113 PolarHBondContact N-O 3.26Å; M75-F113 HydrophobicContact CE-CE1 4.42Å; M75-F113 HydrophobicContact SD-CD1 4.03Å; M75-F113 HydrophobicContact SD-CE1 3.81Å; F113-P115 HydrophobicContact CE1-CB 4.39Å; F113-R165 WeakPolarHBondContact CA-O 3.21Å; F113-R165 WeakPolarHBondContact CD2-O 3.29Å; F113-V167 HydrophobicContact CE2-CG1 4.27Å; F113-V167 HydrophobicContact CE2-CG2 4.13Å; F113-V167 HydrophobicContact CZ-CG2 3.88Å; F113-F169 HydrophobicContact CZ-CE2 4.47Å; F113-I222 HydrophobicContact CD1-CG2 3.94Å; F113-I222 HydrophobicContact CD2-CG2 4.39Å; F113-I222 HydrophobicContact CE1-CB 4.49Å; F113-I222 HydrophobicContact CE1-CD1 3.96Å; F113-I222 HydrophobicContact CE1-CG1 3.87Å; F113-I222 HydrophobicContact CE1-CG2 3.86Å; F113-I222 HydrophobicContact CE2-CG1 4.34Å; F113-I222 HydrophobicContact CE2-CG2 4.32Å; F113-I222 HydrophobicContact CG-CG2 4.21Å; F113-I222 HydrophobicContact CZ-CB 4.34Å; F113-I222 HydrophobicContact CZ-CD1 4.17Å; F113-I222 HydrophobicContact CZ-CG1 3.63Å; F113-I222 HydrophobicContact CZ-CG2 4.06Å; F113-L225 HydrophobicContact CE2-CD2 4.28Å; F113-M226 HydrophobicContact CB-CE 4.39Å; F113-M226 HydrophobicContact CB-CG 4.14Å; F113-M226 HydrophobicContact CB-SD 3.65Å
114T98.7Very high97.5Very high12 Ų1231.4 Ų31.47%0.07416%0.161CC..EExtended strand (participates in β ladder)trans-141.8141.4164.6-177.10000110.1H74 L98 F112 C153 R165 S166H74-T114 PolarHBondContact O-OG1 3.41Å; L98-T114 HydrophobicContact CD1-CG2 4.13Å; F112-T114 HydrophobicContact CE1-CG2 3.74Å; F112-T114 HydrophobicContact CZ-CG2 4.39Å; T114-C153 VanDerWaalsContact CG2-SG 3.53Å; T114-R165 PolarHBondContact N-O 3.31Å; T114-S166 VanDerWaalsContact O-CA 3.31Å; T114-S166 WeakPolarHBondContact O-CA 3.37Å; T114-S166 WeakPolarHBondContact O-CB 3.34Å
115P97.9Very high97.4Very high13 Ų1331.7 Ų31.78%0.08416%0.163CC..EExtended strand (participates in β ladder)trans-77.1135.6172.532-32.8000110.6H74 M75 F113 K146 F169H74-P115 WeakPolarHBondContact O-CD 3.48Å; M75-P115 HydrophobicContact CE-CB 4.35Å; M75-P115 HydrophobicContact CE-CG 3.8Å; M75-P115 HydrophobicContact SD-CG 4.06Å; F113-P115 HydrophobicContact CE1-CB 4.39Å; P115-K146 PolarHBondContact O-NZ 3.26Å; P115-F169 HydrophobicContact CB-CD2 3.77Å; P115-F169 HydrophobicContact CB-CE2 3.83Å
116S98Very high97.4Very high4 Ų434.5 Ų34.53%0.02818%0.181CC..EExtended strand (participates in β ladder)trans-96.7-166.9155.2-166.80000109.8E150 V167 F169S116-E150 WeakPolarHBondContact CB-OE1 3.45Å; S116-E150 PolarHBondContact OG-OE1 3.33Å; S116-V167 CarbonylContact C-O 3.35Å; S116-V167 VanDerWaalsContact CA-O 3.23Å; S116-V167 WeakPolarHBondContact CA-O 3.17Å; S116-V167 WeakPolarHBondContact CB-O 2.93Å; S116-V167 PolarHBondContact N-O 3.32Å; S116-F169 PolarHBondContact O-N 3.06Å
117S96.2Very high97.3Very high13 Ų1332.2 Ų32.29%0.09117%0.174CC..EExtended strand (participates in β ladder)trans-157.1159-176.4176.50000111.1G119 A120 Y142 F169S117-G119 PolarHBondContact O-N 2.75Å; S117-G119 PolarHBondContact OG-N 3.17Å; S117-G119 VanDerWaalsContact OG-N 3.12Å; S117-A120 WeakPolarHBondContact O-CB 3.43Å; S117-A120 PolarHBondContact O-N 2.86Å; S117-Y142 VanDerWaalsContact CB-OH 3.25Å; S117-Y142 WeakPolarHBondContact CB-OH 3.4Å; S117-F169 WeakPolarHBondContact CA-O 3.31Å
118I96Very high97.2Very high4 Ų433.9 Ų33.92%0.02118%0.184CC..G310 helixtrans-54-19.9163.662.1172.5000113.1A120 F121 F169 P170 W279 I283I118-A120 PolarHBondContact O-N 2.87Å; I118-A120 VanDerWaalsContact O-N 3.09Å; I118-F121 HydrophobicContact CB-CD2 4.2Å; I118-F121 HydrophobicContact CG2-CE2 4.43Å; I118-F121 WeakPolarHBondContact O-CB 3.44Å; I118-F121 WeakPolarHBondContact O-CD2 3.39Å; I118-F121 PolarHBondContact O-N 3.24Å; I118-F169 PolarHBondContact N-O 2.86Å; I118-P170 HydrophobicContact CG2-CB 4.49Å; I118-W279 HydrophobicContact CD1-CD2 4.09Å; I118-W279 HydrophobicContact CD1-CE3 3.69Å; I118-W279 HydrophobicContact CD1-CG 4.47Å; I118-W279 HydrophobicContact CD1-CZ3 4.2Å; I118-W279 HydrophobicContact CG1-CD2 4.23Å; I118-W279 HydrophobicContact CG1-CE3 4.23Å; I118-I283 HydrophobicContact CB-CD1 4.36Å; I118-I283 HydrophobicContact CG2-CD1 3.21Å
119G94.3Very high97.1Very high0 Ų034.7 Ų34.70%019%0.194CC..G310 helixtrans-58.7-15.2168.500000114.7S117 F121 P138 G143S117-G119 PolarHBondContact O-N 2.75Å; S117-G119 PolarHBondContact OG-N 3.17Å; S117-G119 VanDerWaalsContact OG-N 3.12Å; G119-F121 PolarHBondContact O-N 2.52Å; G119-P138 VanDerWaalsContact O-CB 3.29Å; G119-P138 WeakPolarHBondContact O-CB 3.31Å; G119-G143 WeakPolarHBondContact O-CA 3.43Å
120A97.3Very high97.1Very high0 Ų028.2 Ų28.20%016%0.159CC..G310 helixtrans-73.1-9.6172.200000113.4S117 I118 Q136 K146 V147S117-A120 WeakPolarHBondContact O-CB 3.43Å; S117-A120 PolarHBondContact O-N 2.86Å; I118-A120 PolarHBondContact O-N 2.87Å; I118-A120 VanDerWaalsContact O-N 3.09Å; A120-Q136 WeakPolarHBondContact O-CB 3.38Å; A120-K146 HydrophobicContact CB-CB 4.14Å; A120-V147 HydrophobicContact CB-CG2 3.72Å; A120-V147 VanDerWaalsContact O-CG2 3.3Å; A120-V147 WeakPolarHBondContact O-CG2 3.33Å
121F97.5Very high97.1Very high1 Ų130.4 Ų30.40%0.00417%0.173CC..  trans-95.9170.1174.9-56.8-53.9000111.7I118 G119 T125 T130 T134 Q136 P138 R168 P280 I283I118-F121 HydrophobicContact CB-CD2 4.2Å; I118-F121 HydrophobicContact CG2-CE2 4.43Å; I118-F121 WeakPolarHBondContact O-CB 3.44Å; I118-F121 WeakPolarHBondContact O-CD2 3.39Å; I118-F121 PolarHBondContact O-N 3.24Å; G119-F121 PolarHBondContact O-N 2.52Å; F121-T125 HydrophobicContact CB-CG2 4.01Å; F121-T125 HydrophobicContact CD1-CG2 3.67Å; F121-T125 HydrophobicContact CE1-CG2 4.36Å; F121-T125 HydrophobicContact CG-CG2 3.95Å; F121-T130 HydrophobicContact CD1-CG2 4.48Å; F121-T130 HydrophobicContact CE1-CG2 4.15Å; F121-T130 HydrophobicContact CE2-CG2 4.31Å; F121-T130 HydrophobicContact CZ-CG2 4.05Å; F121-T134 HydrophobicContact CD1-CG2 4.08Å; F121-T134 HydrophobicContact CE1-CG2 3.67Å; F121-Q136 HydrophobicContact CD1-CG 4.07Å; F121-Q136 HydrophobicContact CE1-CG 4.15Å; F121-P138 WeakPolarHBondContact O-CA 3.37Å; F121-R168 VanDerWaalsContact CZ-CD 3.49Å; F121-P280 HydrophobicContact CB-CG 4.19Å; F121-P280 HydrophobicContact CD2-CG 3.56Å; F121-P280 HydrophobicContact CE2-CG 4.17Å; F121-P280 HydrophobicContact CG-CG 4.04Å; F121-I283 HydrophobicContact CE2-CD1 4.2Å
122G95.8Very high97.1Very high0 Ų027.3 Ų27.30%016%0.159CC..  trans-157.9-165.8175.900000112.4S124 T125 S278G122-S124 PolarHBondContact O-N 3.28Å; G122-S124 VanDerWaalsContact O-N 3.09Å; G122-T125 PolarHBondContact N-OG1 2.73Å; G122-T125 VanDerWaalsContact N-OG1 3.16Å; G122-T125 WeakPolarHBondContact O-CB 3.18Å; G122-T125 PolarHBondContact O-N 2.92Å; G122-T125 PolarHBondContact O-OG1 2.87Å; G122-S278 CarbonylContact C-O 3.07Å; G122-S278 VanDerWaalsContact CA-O 3.29Å; G122-S278 WeakPolarHBondContact CA-O 3.27Å
123D94.3Very high97.1Very high109 Ų10933.7 Ų33.758%0.58320%0.197SC*.THydrogen-bonded Turntrans-58.6-30.6-170.2-60.1-29000114.2T125 S278D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 3.11Å; D123-S278 VanDerWaalsContact OD1-CA 3.24Å; D123-S278 WeakPolarHBondContact OD1-CA 3.3Å; D123-S278 VanDerWaalsContact OD1-CB 3.23Å; D123-S278 WeakPolarHBondContact OD1-CB 3.34Å
124S95.7Very high97Very high47 Ų4735.3 Ų35.333%0.32921%0.207SC..THydrogen-bonded Turntrans-76.8-12.4178.761.90000114.1G122 I135 Q137G122-S124 PolarHBondContact O-N 3.28Å; G122-S124 VanDerWaalsContact O-N 3.09Å; S124-I135 WeakPolarHBondContact OG-CG2 3.42Å; S124-Q137 PolarHBondContact OG-OE1 2.81Å
125T97.5Very high97Very high5 Ų539 Ų393%0.03123%0.225CC..SBendtrans-76.7135.9-177.7-53.10000109.2F121 G122 D123 K127 T130 T134 I135F121-T125 HydrophobicContact CB-CG2 4.01Å; F121-T125 HydrophobicContact CD1-CG2 3.67Å; F121-T125 HydrophobicContact CE1-CG2 4.36Å; F121-T125 HydrophobicContact CG-CG2 3.95Å; G122-T125 PolarHBondContact N-OG1 2.73Å; G122-T125 VanDerWaalsContact N-OG1 3.16Å; G122-T125 WeakPolarHBondContact O-CB 3.18Å; G122-T125 PolarHBondContact O-N 2.92Å; G122-T125 PolarHBondContact O-OG1 2.87Å; D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 3.11Å; T125-K127 PolarHBondContact O-N 3.01Å; T125-T130 HydrophobicContact CG2-CG2 3.54Å; T125-T134 HydrophobicContact CG2-CG2 3.76Å; T125-I135 PolarHBondContact OG1-O 3.26Å
126P97.6Very high97Very high59 Ų5940.6 Ų40.638%0.38323%0.232SC..  trans-51132.3170.7-2534.5000110.3T130 T134P126-T130 PolarHBondContact O-OG1 3.35Å; P126-T134 WeakPolarHBondContact CD-OG1 3.41Å
127K96.1Very high96.9Very high51 Ų5146.2 Ų46.222%0.22226%0.258CS..SBendtrans-82.7-38-174.3-64.7-63.8-170.5177.60113.6T125 N277 S278 W279 D281 S282T125-K127 PolarHBondContact O-N 3.01Å; K127-N277 WeakPolarHBondContact CE-O 3.26Å; K127-N277 PolarHBondContact NZ-O 3.48Å; K127-S278 PolarHBondContact NZ-O 3.28Å; K127-W279 VanDerWaalsContact CD-O 3.25Å; K127-W279 WeakPolarHBondContact CD-O 3.49Å; K127-W279 PolarHBondContact NZ-O 3.46Å; K127-D281 HydrophobicContact CB-CB 4.48Å; K127-D281 WeakPolarHBondContact CB-OD2 3.23Å; K127-D281 WeakPolarHBondContact O-CA 3.16Å; K127-D281 PolarHBondContact O-N 3.01Å; K127-S282 PolarHBondContact O-N 3.28Å
128V97.3Very high96.9Very high101 Ų10146.7 Ų46.761%0.61226%0.261SS*.SBendtrans-102.1131.4-176179.50000109.2T130 S282V128-T130 VanDerWaalsContact C-N 3.31Å; V128-T130 PolarHBondContact O-N 2.94Å; V128-S282 WeakPolarHBondContact CA-OG 3.47Å
129N96.9Very high96.7Very high96 Ų9650.3 Ų50.351%0.51328%0.283SS..SBendtrans51.150.8-179.1-164.746.5000112.2P131 S282 D284N129-P131 WeakPolarHBondContact O-CD 3.49Å; N129-P131 VanDerWaalsContact O-N 3.15Å; N129-S282 PolarHBondContact N-O 3.43Å; N129-S282 VanDerWaalsContact N-O 3.1Å; N129-S282 PolarHBondContact N-OG 2.68Å; N129-D284 WeakPolarHBondContact OD1-CB 3.2Å
130T98.2Very high96.6Very high0 Ų050.8 Ų50.80%029%0.286CS..BIsolated β-bridgetrans-55.8116.8-177.2-56.50000110.2F121 T125 P126 V128 T134 N240 P280 S282 D284F121-T130 HydrophobicContact CD1-CG2 4.48Å; F121-T130 HydrophobicContact CE1-CG2 4.15Å; F121-T130 HydrophobicContact CE2-CG2 4.31Å; F121-T130 HydrophobicContact CZ-CG2 4.05Å; T125-T130 HydrophobicContact CG2-CG2 3.54Å; P126-T130 PolarHBondContact O-OG1 3.35Å; V128-T130 VanDerWaalsContact C-N 3.31Å; V128-T130 PolarHBondContact O-N 2.94Å; T130-T134 HydrophobicContact CG2-CG2 3.99Å; T130-N240 PolarHBondContact O-ND2 3.16Å; T130-N240 VanDerWaalsContact O-ND2 3.16Å; T130-P280 HydrophobicContact CG2-CG 4.03Å; T130-P280 WeakPolarHBondContact OG1-CB 3.31Å; T130-P280 VanDerWaalsContact OG1-CG 3.3Å; T130-P280 WeakPolarHBondContact OG1-CG 3.12Å; T130-S282 PolarHBondContact N-O 2.83Å; T130-S282 PolarHBondContact OG1-O 3.24Å; T130-S282 VanDerWaalsContact OG1-O 3.09Å; T130-D284 WeakPolarHBondContact O-CB 3.23Å; T130-D284 PolarHBondContact O-N 3.33Å
131P98.2Very high96.5Very high48 Ų4853.1 Ų53.131%0.31230%0.297SS..  trans-75.2161.8-173.327.7-30.4000111.7N129 V133 N240N129-P131 WeakPolarHBondContact O-CD 3.49Å; N129-P131 VanDerWaalsContact O-N 3.15Å; P131-V133 VanDerWaalsContact C-N 3.28Å; P131-V133 PolarHBondContact O-N 3.14Å; P131-N240 PolarHBondContact O-ND2 2.57Å
132Q98Very high96.3Very high11 Ų1154 Ų545%0.05130%0.301CS..SBendtrans-54.8-41.3178.5-177.456.559.200113.2R168 T235 G238 N240 C287Q132-R168 PolarHBondContact O-NH1 3Å; Q132-T235 HydrophobicContact CG-CG2 3.82Å; Q132-G238 PolarHBondContact NE2-O 2.98Å; Q132-N240 PolarHBondContact N-ND2 2.56Å; Q132-C287 HydrophobicContact CB-CB 4.23Å; Q132-C287 VanDerWaalsContact CB-SG 3.56Å; Q132-C287 HydrophobicContact CG-CB 3.94Å
133V97.8Very high96.3Very high133 Ų13354 Ų5481%0.80630%0.301SS*.SBendtrans-111.6115.7176.7-1800000108.7P131P131-V133 VanDerWaalsContact C-N 3.28Å; P131-V133 PolarHBondContact O-N 3.14Å
134T98Very high96.5Very high34 Ų3451.8 Ų51.821%0.20929%0.291CS..  trans-158-179.2-175.5-165.40000111.5F121 T125 P126 T130 Q136F121-T134 HydrophobicContact CD1-CG2 4.08Å; F121-T134 HydrophobicContact CE1-CG2 3.67Å; T125-T134 HydrophobicContact CG2-CG2 3.76Å; P126-T134 WeakPolarHBondContact CD-OG1 3.41Å; T130-T134 HydrophobicContact CG2-CG2 3.99Å; T134-Q136 PolarHBondContact O-N 2.95Å
135I97.8Very high96.6Very high89 Ų8949.7 Ų49.746%0.45628%0.276SS..  trans-69.1123.4174.4-55.7172.2000109.1S124 T125 Q137S124-I135 WeakPolarHBondContact OG-CG2 3.42Å; T125-I135 PolarHBondContact OG1-O 3.26Å; I135-Q137 HydrophobicContact CG2-CB 4.41Å; I135-Q137 HydrophobicContact CG2-CG 3.73Å
136Q97.9Very high96.6Very high47 Ų4750.4 Ų50.422%0.2228%0.279CS..  trans-113.791.7174-69.4178.4-79.800109.1A120 F121 T134 P138 V147 E150A120-Q136 WeakPolarHBondContact O-CB 3.38Å; F121-Q136 HydrophobicContact CD1-CG 4.07Å; F121-Q136 HydrophobicContact CE1-CG 4.15Å; T134-Q136 PolarHBondContact O-N 2.95Å; Q136-P138 VanDerWaalsContact C-CD 3.41Å; Q136-P138 WeakPolarHBondContact O-CD 3.45Å; Q136-V147 HydrophobicContact CB-CG1 4.29Å; Q136-V147 HydrophobicContact CB-CG2 3.83Å; Q136-E150 PolarHBondContact NE2-OE2 3.49Å
137Q97.1Very high96.6Very high122 Ų12248.5 Ų48.557%0.5727%0.266SS*.  trans-122.868.9175.5-68.4-179.1-17.300109.8S124 I135S124-Q137 PolarHBondContact OG-OE1 2.81Å; I135-Q137 HydrophobicContact CG2-CB 4.41Å; I135-Q137 HydrophobicContact CG2-CG 3.73Å
138P96.3Very high96.7Very high23 Ų2347.4 Ų47.415%0.14927%0.267CS..  trans-65.5148.3-178.429.6-36.1000111.5G119 F121 Q136 V144 V147G119-P138 VanDerWaalsContact O-CB 3.29Å; G119-P138 WeakPolarHBondContact O-CB 3.31Å; F121-P138 WeakPolarHBondContact O-CA 3.37Å; Q136-P138 VanDerWaalsContact C-CD 3.41Å; Q136-P138 WeakPolarHBondContact O-CD 3.45Å; P138-V144 HydrophobicContact CG-CG2 4.15Å; P138-V147 HydrophobicContact CG-CG2 3.81Å
139T91.9Very high96.8Very high81 Ų8142.9 Ų42.950%0.49724%0.24SC..SBendtrans-100.49.1-177.554.50000113.2
140T91.3Very high96.9Very high9 Ų938.8 Ų38.86%0.05522%0.218CC..SBendtrans-126.5149.6-179.463.90000110.9E84 Y142 G143 V144E84-T140 VanDerWaalsContact OE1-CA 3.29Å; E84-T140 WeakPolarHBondContact OE1-CA 3.04Å; E84-T140 VanDerWaalsContact OE1-CB 3.28Å; E84-T140 WeakPolarHBondContact OE1-CB 3.47Å; T140-Y142 VanDerWaalsContact C-N 3.28Å; T140-Y142 PolarHBondContact O-N 3.3Å; T140-G143 PolarHBondContact O-N 2.7Å; T140-G143 VanDerWaalsContact O-N 3.14Å; T140-G143 PolarHBondContact OG1-N 2.95Å; T140-V144 WeakPolarHBondContact O-CG2 3.28Å; T140-V144 PolarHBondContact O-N 2.49Å
141M94.6Very high96.9Very high49 Ų4944 Ų4424%0.24125%0.246CC..Hα-helixtrans-53.7-45.5170.4178.554.168.800111.4E84 P87 A90 W91 G143 V144 N145E84-M141 WeakPolarHBondContact OE1-CB 3.42Å; E84-M141 PolarHBondContact OE1-N 2.88Å; P87-M141 HydrophobicContact CB-CE 3.82Å; P87-M141 HydrophobicContact CB-CG 4.27Å; A90-M141 HydrophobicContact CB-CG 3.9Å; W91-M141 HydrophobicContact CE3-SD 4.08Å; M141-G143 VanDerWaalsContact C-N 3.32Å; M141-G143 PolarHBondContact O-N 3.48Å; M141-V144 PolarHBondContact O-N 3.24Å; M141-N145 PolarHBondContact O-N 3.34Å; M141-N145 PolarHBondContact O-OD1 3Å; M141-N145 VanDerWaalsContact O-OD1 3.12Å
142Y93.7Very high96.9Very high20 Ų2043.6 Ų43.68%0.07824%0.24CC..Hα-helixtrans-56.2-48175.4171.9-108.4000111.7L78 L79 S117 T140 V144 N145 K146L78-Y142 VanDerWaalsContact O-CD2 3.23Å; L78-Y142 WeakPolarHBondContact O-CD2 3.45Å; L79-Y142 HydrophobicContact CD2-CE2 4.16Å; S117-Y142 VanDerWaalsContact CB-OH 3.25Å; S117-Y142 WeakPolarHBondContact CB-OH 3.4Å; T140-Y142 VanDerWaalsContact C-N 3.28Å; T140-Y142 PolarHBondContact O-N 3.3Å; Y142-V144 PolarHBondContact O-N 3.2Å; Y142-N145 WeakPolarHBondContact O-CB 3.43Å; Y142-N145 PolarHBondContact O-N 3.38Å; Y142-K146 HydrophobicContact CD2-CG 4.4Å; Y142-K146 HydrophobicContact CE1-CG 4.13Å; Y142-K146 HydrophobicContact CE2-CD 4.15Å; Y142-K146 HydrophobicContact CE2-CG 4.02Å; Y142-K146 VanDerWaalsContact CZ-CE 3.43Å; Y142-K146 WeakPolarHBondContact O-CG 3.49Å; Y142-K146 PolarHBondContact O-N 3.05Å; Y142-K146 VanDerWaalsContact OH-CE 3.25Å; Y142-K146 WeakPolarHBondContact OH-CE 3.31Å
143G96Very high96.9Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-61.7-43.3177.100000113.1G119 T140 M141 N145 K146 V147G119-G143 WeakPolarHBondContact O-CA 3.43Å; T140-G143 PolarHBondContact O-N 2.7Å; T140-G143 VanDerWaalsContact O-N 3.14Å; T140-G143 PolarHBondContact OG1-N 2.95Å; M141-G143 VanDerWaalsContact C-N 3.32Å; M141-G143 PolarHBondContact O-N 3.48Å; G143-N145 VanDerWaalsContact C-N 3.32Å; G143-N145 PolarHBondContact O-N 3.44Å; G143-K146 PolarHBondContact O-N 3.22Å; G143-K146 VanDerWaalsContact O-N 3.12Å; G143-V147 WeakPolarHBondContact O-CG2 3.32Å; G143-V147 PolarHBondContact O-N 3.17Å
144V97.7Very high97Very high62 Ų6238.8 Ų38.838%0.37621%0.209SC..Hα-helixtrans-57.9-44.8173.9171.70000110.7W91 P138 T140 M141 Y142 K146 V147 A148W91-V144 HydrophobicContact CZ3-CG1 4.29Å; P138-V144 HydrophobicContact CG-CG2 4.15Å; T140-V144 WeakPolarHBondContact O-CG2 3.28Å; T140-V144 PolarHBondContact O-N 2.49Å; M141-V144 PolarHBondContact O-N 3.24Å; Y142-V144 PolarHBondContact O-N 3.2Å; V144-K146 VanDerWaalsContact C-N 3.33Å; V144-K146 PolarHBondContact O-N 3.33Å; V144-V147 PolarHBondContact O-N 3.34Å; V144-A148 VanDerWaalsContact O-CB 3.32Å; V144-A148 WeakPolarHBondContact O-CB 3.38Å; V144-A148 PolarHBondContact O-N 2.9Å
145N97.9Very high97Very high4 Ų442.8 Ų42.82%0.02122%0.221CC..Hα-helixtrans-61.9-40.8175.7-58.4143000111.7W91 N94 M95 M141 Y142 G143 A148 G149W91-N145 VanDerWaalsContact CE3-ND2 3.29Å; N94-N145 HydrophobicContact CB-CB 3.83Å; N94-N145 PolarHBondContact ND2-OD1 2.65Å; M95-N145 HydrophobicContact CG-CB 4.43Å; M95-N145 WeakPolarHBondContact CG-ND2 3.31Å; M95-N145 HydrophobicContact SD-CB 3.93Å; M141-N145 PolarHBondContact O-N 3.34Å; M141-N145 PolarHBondContact O-OD1 3Å; M141-N145 VanDerWaalsContact O-OD1 3.12Å; Y142-N145 WeakPolarHBondContact O-CB 3.43Å; Y142-N145 PolarHBondContact O-N 3.38Å; G143-N145 VanDerWaalsContact C-N 3.32Å; G143-N145 PolarHBondContact O-N 3.44Å; N145-A148 PolarHBondContact O-N 3.3Å; N145-G149 PolarHBondContact O-N 3.05Å
146K97.9Very high97Very high19 Ų1938.8 Ų38.88%0.08320%0.2CC..Hα-helixtrans-66.6-43.4179.8-70.2-42.5-169.3173.40112.8P115 A120 Y142 G143 V144 G149 E150P115-K146 PolarHBondContact O-NZ 3.26Å; A120-K146 HydrophobicContact CB-CB 4.14Å; Y142-K146 HydrophobicContact CD2-CG 4.4Å; Y142-K146 HydrophobicContact CE1-CG 4.13Å; Y142-K146 HydrophobicContact CE2-CD 4.15Å; Y142-K146 HydrophobicContact CE2-CG 4.02Å; Y142-K146 VanDerWaalsContact CZ-CE 3.43Å; Y142-K146 WeakPolarHBondContact O-CG 3.49Å; Y142-K146 PolarHBondContact O-N 3.05Å; Y142-K146 VanDerWaalsContact OH-CE 3.25Å; Y142-K146 WeakPolarHBondContact OH-CE 3.31Å; G143-K146 PolarHBondContact O-N 3.22Å; G143-K146 VanDerWaalsContact O-N 3.12Å; V144-K146 VanDerWaalsContact C-N 3.33Å; V144-K146 PolarHBondContact O-N 3.33Å; K146-G149 PolarHBondContact O-N 3.29Å; K146-E150 WeakPolarHBondContact O-CG 3.21Å; K146-E150 PolarHBondContact O-N 2.82Å
147V98.5Very high97.1Very high20 Ų2039.4 Ų39.412%0.12120%0.202CC..Hα-helixtrans-61.9-48173.2177.30000110.8A120 Q136 P138 G143 V144 G149 E150 L151A120-V147 HydrophobicContact CB-CG2 3.72Å; A120-V147 VanDerWaalsContact O-CG2 3.3Å; A120-V147 WeakPolarHBondContact O-CG2 3.33Å; Q136-V147 HydrophobicContact CB-CG1 4.29Å; Q136-V147 HydrophobicContact CB-CG2 3.83Å; P138-V147 HydrophobicContact CG-CG2 3.81Å; G143-V147 WeakPolarHBondContact O-CG2 3.32Å; G143-V147 PolarHBondContact O-N 3.17Å; V144-V147 PolarHBondContact O-N 3.34Å; V147-G149 PolarHBondContact O-N 3.3Å; V147-E150 PolarHBondContact O-N 3.37Å; V147-L151 HydrophobicContact CG1-CD1 4.06Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 2.78Å; V147-L151 VanDerWaalsContact O-N 3.11Å
148A98.5Very high97.1Very high28 Ų2841.2 Ų41.223%0.23121%0.208CC..Hα-helixtrans-59.2-39.4177.700000111.5M95 V144 N145 L151 L152M95-A148 HydrophobicContact CE-CB 3.67Å; M95-A148 HydrophobicContact SD-CB 3.89Å; V144-A148 VanDerWaalsContact O-CB 3.32Å; V144-A148 WeakPolarHBondContact O-CB 3.38Å; V144-A148 PolarHBondContact O-N 2.9Å; N145-A148 PolarHBondContact O-N 3.3Å; A148-L151 PolarHBondContact O-N 2.94Å; A148-L152 VanDerWaalsContact O-CB 3.24Å; A148-L152 WeakPolarHBondContact O-CB 3.34Å; A148-L152 PolarHBondContact O-N 2.89Å
149G98.5Very high97.2Very high5 Ų547.2 Ų47.25%0.05223%0.228CC..Hα-helixtrans-65.6-45.5177.200000113.6N145 K146 V147 L151 L152 C153N145-G149 PolarHBondContact O-N 3.05Å; K146-G149 PolarHBondContact O-N 3.29Å; V147-G149 PolarHBondContact O-N 3.3Å; G149-L151 VanDerWaalsContact C-N 3.31Å; G149-L151 PolarHBondContact O-N 3.09Å; G149-L152 PolarHBondContact O-N 3.42Å; G149-C153 WeakPolarHBondContact O-CB 3.28Å; G149-C153 PolarHBondContact O-N 3.07Å; G149-C153 PolarHBondContact O-SG 3.03Å; G149-C153 VanDerWaalsContact O-SG 3.35Å
150E98.7Very high97.5Very high11 Ų1147.4 Ų47.45%0.05122%0.222CC..Hα-helixtrans-55.6-47.9174.3-73.3175.4-161.400111.4S116 Q136 K146 V147 Q154 R168S116-E150 WeakPolarHBondContact CB-OE1 3.45Å; S116-E150 PolarHBondContact OG-OE1 3.33Å; Q136-E150 PolarHBondContact NE2-OE2 3.49Å; K146-E150 WeakPolarHBondContact O-CG 3.21Å; K146-E150 PolarHBondContact O-N 2.82Å; V147-E150 PolarHBondContact O-N 3.37Å; E150-Q154 WeakPolarHBondContact O-CB 3.29Å; E150-Q154 PolarHBondContact O-N 3.31Å; E150-R168 VanDerWaalsContact OE1-CG 3.3Å; E150-R168 WeakPolarHBondContact OE1-CG 3.24Å; E150-R168 IonicContact OE1-CZ 3.66Å; E150-R168 IonicContact OE1-NE 3Å; E150-R168 PolarHBondContact OE1-NE 3.18Å; E150-R168 IonicContact OE1-NH2 3.43Å; E150-R168 IonicContact OE2-CZ 3.16Å; E150-R168 IonicContact OE2-NE 3.56Å; E150-R168 PolarHBondContact OE2-NE 3.11Å; E150-R168 IonicContact OE2-NH2 2.61Å; E150-R168 PolarHBondContact OE2-NH2 2.84Å
151L98.6Very high97.8Very high110 Ų11049.4 Ų49.458%0.57624%0.244SC*.Hα-helixtrans-66.9-38.1-179.7-65.7175.7000111.9V147 A148 G149 Q154 Y155V147-L151 HydrophobicContact CG1-CD1 4.06Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 2.78Å; V147-L151 VanDerWaalsContact O-N 3.11Å; A148-L151 PolarHBondContact O-N 2.94Å; G149-L151 VanDerWaalsContact C-N 3.31Å; G149-L151 PolarHBondContact O-N 3.09Å; L151-Q154 PolarHBondContact O-N 2.89Å; L151-Y155 WeakPolarHBondContact O-CB 3.36Å; L151-Y155 PolarHBondContact O-N 3.33Å
152L98.4Very high98Very high38 Ų3847.4 Ų47.420%0.19924%0.235CC..Hα-helixtrans-67.5-45.4178.3-170.162.7000111.1M95 L98 M99 L102 A148 G149 Q154 Y155 Y156M95-L152 HydrophobicContact CE-CD2 4.35Å; L98-L152 HydrophobicContact CD2-CD2 4.32Å; L98-L152 HydrophobicContact CG-CD2 4.46Å; M99-L152 HydrophobicContact SD-CD2 4.11Å; L102-L152 HydrophobicContact CD1-CB 4.36Å; L102-L152 HydrophobicContact CD1-CD2 3.71Å; L102-L152 HydrophobicContact CD1-CG 3.64Å; A148-L152 VanDerWaalsContact O-CB 3.24Å; A148-L152 WeakPolarHBondContact O-CB 3.34Å; A148-L152 PolarHBondContact O-N 2.89Å; G149-L152 PolarHBondContact O-N 3.42Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 3.2Å; L152-Y155 HydrophobicContact CD1-CD1 4.5Å; L152-Y155 WeakPolarHBondContact O-CB 3.34Å; L152-Y155 PolarHBondContact O-N 3.09Å; L152-Y155 VanDerWaalsContact O-N 3.16Å; L152-Y156 HydrophobicContact CD1-CD2 4.06Å; L152-Y156 HydrophobicContact CD1-CE2 3.82Å; L152-Y156 HydrophobicContact CG-CD2 4.13Å; L152-Y156 HydrophobicContact CG-CE2 4.11Å; L152-Y156 WeakPolarHBondContact O-CD2 3.15Å; L152-Y156 PolarHBondContact O-N 2.71Å
153C98.7Very high98.2Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-56.4-48.1172.9-71.70000111.1T114 G149 Y155 Y156 F157 T164 N237T114-C153 VanDerWaalsContact CG2-SG 3.53Å; G149-C153 WeakPolarHBondContact O-CB 3.28Å; G149-C153 PolarHBondContact O-N 3.07Å; G149-C153 PolarHBondContact O-SG 3.03Å; G149-C153 VanDerWaalsContact O-SG 3.35Å; C153-Y155 VanDerWaalsContact C-N 3.28Å; C153-Y155 PolarHBondContact O-N 3.46Å; C153-Y156 PolarHBondContact O-N 2.97Å; C153-Y156 VanDerWaalsContact O-N 3.1Å; C153-F157 PolarHBondContact O-N 2.71Å; C153-T164 HydrophobicContact CB-CG2 4.2Å; C153-T164 PolarHBondContact O-OG1 3.12Å; C153-N237 VanDerWaalsContact CB-OD1 3.3Å; C153-N237 WeakPolarHBondContact CB-OD1 3.44Å
154Q98.4Very high98.4Very high43 Ų4347.4 Ų47.420%0.20124%0.236CC..Hα-helixtrans-61.5-36.7178-168.862.65.500112.7E150 L151 L152 K158 N237E150-Q154 WeakPolarHBondContact O-CB 3.29Å; E150-Q154 PolarHBondContact O-N 3.31Å; L151-Q154 PolarHBondContact O-N 2.89Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 3.2Å; Q154-K158 HydrophobicContact CG-CD 4.47Å; Q154-K158 WeakPolarHBondContact O-CB 3.25Å; Q154-K158 WeakPolarHBondContact O-CG 3.32Å; Q154-K158 PolarHBondContact O-N 2.83Å; Q154-N237 PolarHBondContact N-ND2 3.1Å; Q154-N237 PolarHBondContact OE1-ND2 3.13Å
155Y98.7Very high98.4Very high118 Ų11844.7 Ų44.746%0.46322%0.219SC..Hα-helixtrans-64-45173.4173-100.1000111.7L151 L152 C153 F157 K158 R159 F160L151-Y155 WeakPolarHBondContact O-CB 3.36Å; L151-Y155 PolarHBondContact O-N 3.33Å; L152-Y155 HydrophobicContact CD1-CD1 4.5Å; L152-Y155 WeakPolarHBondContact O-CB 3.34Å; L152-Y155 PolarHBondContact O-N 3.09Å; L152-Y155 VanDerWaalsContact O-N 3.16Å; C153-Y155 VanDerWaalsContact C-N 3.28Å; C153-Y155 PolarHBondContact O-N 3.46Å; Y155-F157 PolarHBondContact O-N 2.91Å; Y155-K158 PolarHBondContact O-N 3.16Å; Y155-R159 HydrophobicContact CD2-CB 4.32Å; Y155-R159 HydrophobicContact CE1-CB 4.21Å; Y155-R159 HydrophobicContact CE1-CG 4.29Å; Y155-R159 HydrophobicContact CE2-CB 3.98Å; Y155-R159 HydrophobicContact CE2-CG 4.18Å; Y155-R159 WeakPolarHBondContact O-CB 3.43Å; Y155-R159 PolarHBondContact O-N 3.16Å; Y155-F160 AromaticContact CE1-CE2 3.95Å; Y155-F160 HydrophobicContact CE1-CE2 3.95Å
156Y98.8Very high98.4Very high6 Ų644.5 Ų44.52%0.02422%0.218CC..Hα-helixtrans-62.6-42179.5-94.4-106.4000112.7M99 L102 E103 R106 L152 C153 F160 G161 V162M99-Y156 WeakPolarHBondContact CE-OH 3.48Å; M99-Y156 HydrophobicContact SD-CE2 4.28Å; M99-Y156 PolarHBondContact SD-OH 2.94Å; L102-Y156 HydrophobicContact CB-CD1 3.91Å; L102-Y156 HydrophobicContact CB-CD2 4.42Å; L102-Y156 HydrophobicContact CB-CE1 3.79Å; L102-Y156 HydrophobicContact CB-CE2 4.32Å; L102-Y156 HydrophobicContact CB-CG 4.23Å; L102-Y156 HydrophobicContact CD1-CD2 3.94Å; L102-Y156 HydrophobicContact CD1-CE2 4.16Å; L102-Y156 HydrophobicContact CD1-CG 4.24Å; L102-Y156 HydrophobicContact CD2-CD1 4.35Å; L102-Y156 HydrophobicContact CD2-CG 4.15Å; L102-Y156 HydrophobicContact CG-CG 4.47Å; E103-Y156 WeakPolarHBondContact OE1-CE1 3.27Å; E103-Y156 VanDerWaalsContact OE1-CZ 3.26Å; E103-Y156 PolarHBondContact OE1-OH 2.74Å; R106-Y156 HydrophobicContact CB-CD1 4.46Å; R106-Y156 HydrophobicContact CB-CE1 4.31Å; L152-Y156 HydrophobicContact CD1-CD2 4.06Å; L152-Y156 HydrophobicContact CD1-CE2 3.82Å; L152-Y156 HydrophobicContact CG-CD2 4.13Å; L152-Y156 HydrophobicContact CG-CE2 4.11Å; L152-Y156 WeakPolarHBondContact O-CD2 3.15Å; L152-Y156 PolarHBondContact O-N 2.71Å; C153-Y156 PolarHBondContact O-N 2.97Å; C153-Y156 VanDerWaalsContact O-N 3.1Å; Y156-F160 AromaticContact CD1-CD2 3.83Å; Y156-F160 HydrophobicContact CD1-CD2 3.83Å; Y156-F160 HydrophobicContact CD1-CE2 4.36Å; Y156-F160 HydrophobicContact CE1-CD2 4.05Å; Y156-F160 HydrophobicContact CE1-CE2 4.19Å; Y156-F160 HydrophobicContact CG-CD2 4.15Å; Y156-F160 WeakPolarHBondContact O-CA 3.26Å; Y156-F160 WeakPolarHBondContact O-CB 3.23Å; Y156-F160 PolarHBondContact O-N 3Å; Y156-G161 PolarHBondContact O-N 3.27Å; Y156-V162 HydrophobicContact CD1-CG2 4.11Å; Y156-V162 PolarHBondContact O-N 3.3Å
157F98.3Very high98.5Very high60 Ų6043.6 Ų43.626%0.26321%0.214SC..Hα-helixtrans-59.3-54.9171.1175.1-106.8000111.3C153 Y155 R159 G161 V162 R236C153-F157 PolarHBondContact O-N 2.71Å; Y155-F157 PolarHBondContact O-N 2.91Å; F157-R159 PolarHBondContact O-N 2.99Å; F157-G161 WeakPolarHBondContact O-CA 3.25Å; F157-G161 PolarHBondContact O-N 3.34Å; F157-V162 VanDerWaalsContact CA-O 3.24Å; F157-V162 WeakPolarHBondContact CA-O 3.3Å; F157-V162 WeakPolarHBondContact CB-O 3.35Å; F157-V162 WeakPolarHBondContact CD2-O 3.45Å; F157-R236 VanDerWaalsContact CD1-CD 3.47Å; F157-R236 VanDerWaalsContact CE1-NE 3.32Å; F157-R236 VanDerWaalsContact CE2-NE 3.32Å
158K97.9Very high98.5Very high159 Ų15943.1 Ų43.169%0.69121%0.21SC*.Hα-helixtrans-64.6-37.4-176.3-74.1-175.5177.6-177.50113.8Q154 Y155Q154-K158 HydrophobicContact CG-CD 4.47Å; Q154-K158 WeakPolarHBondContact O-CB 3.25Å; Q154-K158 WeakPolarHBondContact O-CG 3.32Å; Q154-K158 PolarHBondContact O-N 2.83Å; Y155-K158 PolarHBondContact O-N 3.16Å
159R98.4Very high98.4Very high150 Ų15042.1 Ų42.157%0.56620%0.201SC*.Hα-helixtrans-88.5-37-171.7-179.761.6-172.292.8-4.1112.9Y155 F157Y155-R159 HydrophobicContact CD2-CB 4.32Å; Y155-R159 HydrophobicContact CE1-CB 4.21Å; Y155-R159 HydrophobicContact CE1-CG 4.29Å; Y155-R159 HydrophobicContact CE2-CB 3.98Å; Y155-R159 HydrophobicContact CE2-CG 4.18Å; Y155-R159 WeakPolarHBondContact O-CB 3.43Å; Y155-R159 PolarHBondContact O-N 3.16Å; F157-R159 PolarHBondContact O-N 2.99Å
160F98.3Very high98.3Very high85 Ų8542.3 Ų42.337%0.37320%0.201SC..Hα-helixtrans-123.6-9-169.8-55.3-61000113.7R106 Y155 Y156 V162R106-F160 HydrophobicContact CG-CB 4.1Å; R106-F160 HydrophobicContact CG-CG 4.32Å; Y155-F160 AromaticContact CE1-CE2 3.95Å; Y155-F160 HydrophobicContact CE1-CE2 3.95Å; Y156-F160 AromaticContact CD1-CD2 3.83Å; Y156-F160 HydrophobicContact CD1-CD2 3.83Å; Y156-F160 HydrophobicContact CD1-CE2 4.36Å; Y156-F160 HydrophobicContact CE1-CD2 4.05Å; Y156-F160 HydrophobicContact CE1-CE2 4.19Å; Y156-F160 HydrophobicContact CG-CD2 4.15Å; Y156-F160 WeakPolarHBondContact O-CA 3.26Å; Y156-F160 WeakPolarHBondContact O-CB 3.23Å; Y156-F160 PolarHBondContact O-N 3Å; F160-V162 VanDerWaalsContact C-N 3.31Å; F160-V162 HydrophobicContact CB-CG2 4.13Å
161G97.9Very high98.1Very high50 Ų5041.9 Ų41.952%0.51520%0.199SC..  trans75.416.8-178.900000114.1Y156 F157 D163Y156-G161 PolarHBondContact O-N 3.27Å; F157-G161 WeakPolarHBondContact O-CA 3.25Å; F157-G161 PolarHBondContact O-N 3.34Å; G161-D163 PolarHBondContact O-N 2.79Å
162V98.6Very high97.9Very high7 Ų737.4 Ų37.44%0.04218%0.176CC..  trans-67.7124.9174.6-175.90000108.6A105 R106 F112 Y156 F157 F160 T164A105-V162 HydrophobicContact CB-CG1 3.78Å; R106-V162 HydrophobicContact CB-CG2 3.73Å; R106-V162 HydrophobicContact CG-CG2 3.91Å; F112-V162 HydrophobicContact CB-CG1 4.37Å; Y156-V162 HydrophobicContact CD1-CG2 4.11Å; Y156-V162 PolarHBondContact O-N 3.3Å; F157-V162 VanDerWaalsContact CA-O 3.24Å; F157-V162 WeakPolarHBondContact CA-O 3.3Å; F157-V162 WeakPolarHBondContact CB-O 3.35Å; F157-V162 WeakPolarHBondContact CD2-O 3.45Å; F160-V162 VanDerWaalsContact C-N 3.31Å; F160-V162 HydrophobicContact CB-CG2 4.13Å; V162-T164 HydrophobicContact CB-CG2 4.13Å; V162-T164 HydrophobicContact CG1-CG2 3.84Å; V162-T164 PolarHBondContact O-N 3.49Å
163D98.4Very high97.7Very high20 Ų2035.6 Ų35.611%0.10717%0.167CC..  trans-73.375.4178.1-174.33.7000110.7H111 F112 G161 R165 R236H111-D163 IonicContact CD2-OD2 3.88Å; H111-D163 IonicContact CE1-OD2 3.93Å; H111-D163 IonicContact CG-OD2 2.78Å; H111-D163 IonicContact ND1-OD2 2.86Å; H111-D163 IonicContact NE2-OD2 3.83Å; F112-D163 PolarHBondContact N-O 3.31Å; G161-D163 PolarHBondContact O-N 2.79Å; D163-R165 IonicContact OD1-CZ 2.75Å; D163-R165 IonicContact OD1-NE 3.85Å; D163-R165 PolarHBondContact OD1-NE 3.39Å; D163-R165 IonicContact OD1-NH2 3.17Å; D163-R165 IonicContact OD2-CZ 3.04Å; D163-R165 IonicContact OD2-NE 2.82Å; D163-R165 PolarHBondContact OD2-NE 2.93Å; D163-R165 IonicContact OD2-NH2 3.66Å; D163-R165 PolarHBondContact OD2-NH2 3.38Å; D163-R236 IonicContact OD1-NH1 3.87Å; D163-R236 PolarHBondContact OD1-NH1 3.01Å
164T98.7Very high97.4Very high0 Ų035.6 Ų35.60%017%0.167CC..EExtended strand (participates in β ladder)trans-84.1135.7175.864.20000110L102 F112 C153 V162 R236 N237L102-T164 HydrophobicContact CD2-CG2 3.66Å; F112-T164 HydrophobicContact CB-CG2 4.36Å; F112-T164 HydrophobicContact CD1-CG2 4.03Å; F112-T164 CarbonylContact O-C 3.58Å; F112-T164 WeakPolarHBondContact O-CA 3.3Å; C153-T164 HydrophobicContact CB-CG2 4.2Å; C153-T164 PolarHBondContact O-OG1 3.12Å; V162-T164 HydrophobicContact CB-CG2 4.13Å; V162-T164 HydrophobicContact CG1-CG2 3.84Å; V162-T164 PolarHBondContact O-N 3.49Å; T164-R236 WeakPolarHBondContact O-CD 3.47Å; T164-R236 WeakPolarHBondContact O-CG 3.33Å; T164-N237 PolarHBondContact OG1-ND2 3.32Å
165R98.7Very high96.8Very high5 Ų536 Ų362%0.01917%0.169CC..EExtended strand (participates in β ladder)trans-135144.1175.5-52.7-177.4-172.1-163-0.7109.4F112 F113 T114 D163 L225 M226 A228 L233 R236F112-R165 PolarHBondContact O-N 3.16Å; F113-R165 WeakPolarHBondContact CA-O 3.21Å; F113-R165 WeakPolarHBondContact CD2-O 3.29Å; T114-R165 PolarHBondContact N-O 3.31Å; D163-R165 IonicContact OD1-CZ 2.75Å; D163-R165 IonicContact OD1-NE 3.85Å; D163-R165 PolarHBondContact OD1-NE 3.39Å; D163-R165 IonicContact OD1-NH2 3.17Å; D163-R165 IonicContact OD2-CZ 3.04Å; D163-R165 IonicContact OD2-NE 2.82Å; D163-R165 PolarHBondContact OD2-NE 2.93Å; D163-R165 IonicContact OD2-NH2 3.66Å; D163-R165 PolarHBondContact OD2-NH2 3.38Å; R165-L225 HydrophobicContact CB-CD2 4.01Å; R165-L225 HydrophobicContact CB-CG 4.06Å; R165-L225 WeakPolarHBondContact CD-O 3.41Å; R165-L225 PolarHBondContact NH1-O 3.25Å; R165-M226 PolarHBondContact NH1-O 3.22Å; R165-A228 PolarHBondContact NH1-O 3.44Å; R165-A228 PolarHBondContact NH2-O 3.43Å; R165-L233 HydrophobicContact CG-CD1 4.28Å; R165-R236 WeakPolarHBondContact CA-O 3.46Å
166S98.7Very high96.1Very high1 Ų133.4 Ų33.41%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-156155.2177.653.60000112.8T114 R236 N237 G238 Y239T114-S166 VanDerWaalsContact O-CA 3.31Å; T114-S166 WeakPolarHBondContact O-CA 3.37Å; T114-S166 WeakPolarHBondContact O-CB 3.34Å; S166-R236 PolarHBondContact N-O 2.72Å; S166-N237 WeakPolarHBondContact OG-CA 3.4Å; S166-N237 VanDerWaalsContact OG-CB 3.28Å; S166-N237 WeakPolarHBondContact OG-CB 3.23Å; S166-N237 PolarHBondContact OG-OD1 3.23Å; S166-G238 PolarHBondContact O-N 3.25Å; S166-G238 PolarHBondContact OG-N 2.83Å; S166-Y239 WeakPolarHBondContact O-CD2 3.18Å; S166-Y239 PolarHBondContact O-N 3.32Å
167V98.7Very high94.9Very high0 Ų036.8 Ų36.80%018%0.179CC..EExtended strand (participates in β ladder)trans-128.7148.5179.6-57.50000110.1F113 S116 F169 L225 Y239 L241 W292F113-V167 HydrophobicContact CE2-CG1 4.27Å; F113-V167 HydrophobicContact CE2-CG2 4.13Å; F113-V167 HydrophobicContact CZ-CG2 3.88Å; S116-V167 CarbonylContact C-O 3.35Å; S116-V167 VanDerWaalsContact CA-O 3.23Å; S116-V167 WeakPolarHBondContact CA-O 3.17Å; S116-V167 WeakPolarHBondContact CB-O 2.93Å; S116-V167 PolarHBondContact N-O 3.32Å; V167-F169 HydrophobicContact CG2-CD1 4.1Å; V167-F169 HydrophobicContact CG2-CD2 3.99Å; V167-F169 HydrophobicContact CG2-CE1 3.79Å; V167-F169 HydrophobicContact CG2-CE2 3.69Å; V167-F169 HydrophobicContact CG2-CG 4.19Å; V167-F169 HydrophobicContact CG2-CZ 3.57Å; V167-L225 HydrophobicContact CG1-CD2 3.45Å; V167-L225 VanDerWaalsContact CG1-CD2 3.45Å; V167-Y239 CarbonylContact C-O 3.45Å; V167-Y239 VanDerWaalsContact CA-O 3.28Å; V167-Y239 WeakPolarHBondContact CA-O 3.47Å; V167-L241 HydrophobicContact CB-CD1 3.65Å; V167-L241 HydrophobicContact CB-CG 3.93Å; V167-L241 HydrophobicContact CG1-CD1 3.84Å; V167-L241 HydrophobicContact CG1-CG 4.23Å; V167-L241 HydrophobicContact CG2-CD1 3.81Å; V167-W292 HydrophobicContact CG1-CZ2 4.49Å
168R98.5Very high93.8Very high10 Ų1038.1 Ų38.14%0.03819%0.187CC..EExtended strand (participates in β ladder)trans-90.5101.8167.9-66.6178-164.6129.60.2108.2F121 Q132 E150 G238 Y239 N240 L241F121-R168 VanDerWaalsContact CZ-CD 3.49Å; Q132-R168 PolarHBondContact O-NH1 3Å; E150-R168 VanDerWaalsContact OE1-CG 3.3Å; E150-R168 WeakPolarHBondContact OE1-CG 3.24Å; E150-R168 IonicContact OE1-CZ 3.66Å; E150-R168 IonicContact OE1-NE 3Å; E150-R168 PolarHBondContact OE1-NE 3.18Å; E150-R168 IonicContact OE1-NH2 3.43Å; E150-R168 IonicContact OE2-CZ 3.16Å; E150-R168 IonicContact OE2-NE 3.56Å; E150-R168 PolarHBondContact OE2-NE 3.11Å; E150-R168 IonicContact OE2-NH2 2.61Å; E150-R168 PolarHBondContact OE2-NH2 2.84Å; R168-G238 PolarHBondContact NE-O 3.32Å; R168-G238 PolarHBondContact NH1-O 3.16Å; R168-G238 VanDerWaalsContact NH1-O 3.11Å; R168-Y239 PolarHBondContact N-O 2.57Å; R168-N240 WeakPolarHBondContact CD-OD1 3.48Å; R168-N240 PolarHBondContact NH1-OD1 2.67Å; R168-L241 PolarHBondContact O-N 2.92Å
169F97.5Very high92.5Very high7 Ų732.8 Ų32.83%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-69.9137.6175.1-78.1-55.5000111.6I13 F113 P115 S116 S117 I118 V167 L172 M213 A218 I222 L241I13-F169 HydrophobicContact CD1-CD2 3.93Å; I13-F169 HydrophobicContact CD1-CE2 3.95Å; F113-F169 HydrophobicContact CZ-CE2 4.47Å; P115-F169 HydrophobicContact CB-CD2 3.77Å; P115-F169 HydrophobicContact CB-CE2 3.83Å; S116-F169 PolarHBondContact O-N 3.06Å; S117-F169 WeakPolarHBondContact CA-O 3.31Å; I118-F169 PolarHBondContact N-O 2.86Å; V167-F169 HydrophobicContact CG2-CD1 4.1Å; V167-F169 HydrophobicContact CG2-CD2 3.99Å; V167-F169 HydrophobicContact CG2-CE1 3.79Å; V167-F169 HydrophobicContact CG2-CE2 3.69Å; V167-F169 HydrophobicContact CG2-CG 4.19Å; V167-F169 HydrophobicContact CG2-CZ 3.57Å; F169-L172 HydrophobicContact CB-CD1 4.39Å; F169-L172 HydrophobicContact CB-CG 4.47Å; F169-L172 HydrophobicContact CD1-CD1 4.35Å; F169-L172 HydrophobicContact CD1-CD2 4.09Å; F169-L172 HydrophobicContact CD2-CD1 4.43Å; F169-L172 HydrophobicContact CG-CD1 4.16Å; F169-L172 HydrophobicContact CG-CD2 4.5Å; F169-M213 HydrophobicContact CD1-CE 3.62Å; F169-M213 HydrophobicContact CE1-CE 3.86Å; F169-A218 HydrophobicContact CD1-CB 4.23Å; F169-A218 HydrophobicContact CE1-CB 3.63Å; F169-A218 HydrophobicContact CZ-CB 4.19Å; F169-I222 HydrophobicContact CE2-CD1 4.12Å; F169-I222 HydrophobicContact CE2-CG1 4.34Å; F169-I222 HydrophobicContact CZ-CD1 3.77Å; F169-I222 HydrophobicContact CZ-CG1 3.68Å; F169-L241 HydrophobicContact CD1-CD1 4.08Å; F169-L241 HydrophobicContact CE1-CD1 3.79Å
170P96.4Very high90.8Very high8 Ų829.6 Ų29.65%0.05218%0.182CC..  trans-73.8-165.6165.337.9-36.4000109.7I118 D211 M213 L241I118-P170 HydrophobicContact CG2-CB 4.49Å; P170-D211 HydrophobicContact CB-CB 3.74Å; P170-D211 VanDerWaalsContact CB-O 3.32Å; P170-D211 WeakPolarHBondContact CB-O 3.37Å; P170-M213 HydrophobicContact CG-CB 3.65Å; P170-M213 HydrophobicContact CG-CE 3.91Å; P170-L241 WeakPolarHBondContact CD-O 3.48Å
171G94.4Very high89.4Confident2 Ų227 Ų272%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-61.9137.6165.200000111D211 M212 M213G171-D211 PolarHBondContact N-O 2.9Å; G171-M212 VanDerWaalsContact CA-SD 3.54Å; G171-M212 CarbonylContact O-C 3.5Å; G171-M212 VanDerWaalsContact O-CA 3.27Å; G171-M212 WeakPolarHBondContact O-CA 3.18Å; G171-M213 PolarHBondContact O-N 3.35Å
172L94.1Very high88.3Confident16 Ų1625.4 Ų25.48%0.08416%0.162CC..EExtended strand (participates in β ladder)trans-112.1129.4-178.1-64.2-177.6000111.1I13 F169 M213 M215 A218I13-L172 HydrophobicContact CD1-CD1 3.51Å; I13-L172 HydrophobicContact CG1-CD1 3.64Å; F169-L172 HydrophobicContact CB-CD1 4.39Å; F169-L172 HydrophobicContact CB-CG 4.47Å; F169-L172 HydrophobicContact CD1-CD1 4.35Å; F169-L172 HydrophobicContact CD1-CD2 4.09Å; F169-L172 HydrophobicContact CD2-CD1 4.43Å; F169-L172 HydrophobicContact CG-CD1 4.16Å; F169-L172 HydrophobicContact CG-CD2 4.5Å; L172-M213 WeakPolarHBondContact CA-O 3.24Å; L172-M213 HydrophobicContact CD2-CB 4.13Å; L172-M213 HydrophobicContact CD2-CE 4.02Å; L172-M215 HydrophobicContact CB-CE 3.9Å; L172-M215 HydrophobicContact CD1-CE 3.98Å; L172-M215 HydrophobicContact CD1-SD 4.17Å; L172-A218 HydrophobicContact CD1-CB 4.26Å; L172-A218 HydrophobicContact CD2-CB 3.69Å
173I94.2Very high87.6Confident1 Ų125.2 Ų25.21%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-110.6128.5-177.4-61.5164.9000108.6A187 V188 M212 M213 Y214 M215 F246 M303 M307I173-A187 HydrophobicContact CD1-CB 3.82Å; I173-A187 HydrophobicContact CG1-CB 4.06Å; I173-V188 HydrophobicContact CB-CG2 4.39Å; I173-V188 HydrophobicContact CG1-CG2 4.34Å; I173-V188 HydrophobicContact CG2-CG2 4.22Å; I173-M212 HydrophobicContact CD1-CB 4.08Å; I173-M212 HydrophobicContact CD1-CG 4.31Å; I173-M212 HydrophobicContact CD1-SD 4.09Å; I173-M212 HydrophobicContact CG1-SD 4.31Å; I173-M213 PolarHBondContact N-O 3.3Å; I173-Y214 HydrophobicContact CG2-CD2 4.45Å; I173-Y214 WeakPolarHBondContact O-CD2 3.41Å; I173-M215 WeakPolarHBondContact O-CB 3.35Å; I173-M215 PolarHBondContact O-N 3.41Å; I173-F246 HydrophobicContact CD1-CE1 4.27Å; I173-F246 HydrophobicContact CD1-CZ 3.73Å; I173-M303 HydrophobicContact CB-SD 3.87Å; I173-M303 HydrophobicContact CD1-CE 3.66Å; I173-M303 HydrophobicContact CD1-SD 3.43Å; I173-M303 WeakPolarHBondContact CD1-SD 3.15Å; I173-M303 HydrophobicContact CG1-SD 4.24Å; I173-M303 HydrophobicContact CG2-CG 4.46Å; I173-M303 HydrophobicContact CG2-SD 3.78Å; I173-M307 HydrophobicContact CG2-CE 3.88Å; I173-M307 HydrophobicContact CG2-CG 4.1Å; I173-M307 HydrophobicContact CG2-SD 3.77Å
174S90.8Very high87Confident0 Ų025.3 Ų25.30%016%0.163CC..  trans-144.1145.2177.5175.80000109.6E16 V176 V188E16-S174 PolarHBondContact OE1-OG 3.03Å; S174-V176 WeakPolarHBondContact OG-CB 3.42Å; S174-V176 PolarHBondContact OG-N 3.09Å; S174-V176 VanDerWaalsContact OG-N 3.09Å; S174-V188 WeakPolarHBondContact O-CG1 3.44Å
175H87.2Confident86.5Confident52 Ų5226.1 Ų26.124%0.24117%0.167CC..SBendtrans-89.4-12.8171.864.8-86.6000112.4Y214 M307 A310H175-Y214 PolarHBondContact CE1-OH 2.73Å; H175-Y214 AromaticContact ND1-CZ 3.96Å; H175-Y214 PolarHBondContact ND1-OH 3.5Å; H175-M307 HydrophobicContact CB-CE 4.3Å; H175-M307 HydrophobicContact CB-SD 3.71Å; H175-A310 HydrophobicContact CB-CB 3.81Å; H175-A310 VanDerWaalsContact CD2-CB 3.42Å; H175-A310 WeakPolarHBondContact CD2-CB 3.37Å; H175-A310 VanDerWaalsContact CG-CB 3.49Å
176V83.5Confident86.2Confident62 Ų6225.9 Ų25.938%0.37617%0.166SC..SBendtrans-70.6-52.3-173-179.50000110.4S174 K314S174-V176 WeakPolarHBondContact OG-CB 3.42Å; S174-V176 PolarHBondContact OG-N 3.09Å; S174-V176 VanDerWaalsContact OG-N 3.09Å; V176-K314 PolarHBondContact O-NZ 2.84Å
177K74Confident86Confident77 Ų7725.9 Ų25.934%0.33517%0.166SC..SBendtrans-108.2138.6176.8-68.7-164.1-179.7-175.50111.2L10 T15L10-K177 PolarHBondContact O-NZ 3.15Å; T15-K177 PolarHBondContact OG1-NZ 3.38Å
178E74.6Confident85.8Confident89 Ų8926 Ų2642%0.41617%0.167SC..  trans-70.1154.8170.5-71.3-171.3-165.500110.2F192 R196E178-F192 HydrophobicContact CG-CD1 4.39Å; E178-F192 HydrophobicContact CG-CE1 3.91Å; E178-F192 HydrophobicContact CG-CE2 4.17Å; E178-F192 HydrophobicContact CG-CZ 3.8Å; E178-R196 IonicContact OE1-CZ 3.58Å; E178-R196 IonicContact OE1-NH1 3.54Å; E178-R196 PolarHBondContact OE1-NH1 2.85Å; E178-R196 IonicContact OE1-NH2 2.74Å; E178-R196 PolarHBondContact OE1-NH2 2.87Å; E178-R196 IonicContact OE2-NH1 2.65Å
179P69.8Low85.5Confident46 Ų4628.3 Ų28.330%0.29918%0.178SC..  trans-57.7142.2-17717.7-28.7000113D185 V188 E189P179-D185 HydrophobicContact CB-CB 3.53Å; P179-D185 WeakPolarHBondContact CB-OD2 3.45Å; P179-V188 HydrophobicContact CG-CG1 4.45Å; P179-E189 HydrophobicContact CG-CB 3.97Å; P179-E189 HydrophobicContact CG-CG 4.35Å
180G64.5Low85.5Confident84 Ų8428 Ų2887%0.86618%0.177SC*.  trans-104.20.3-172.900000115D185G180-D185 PolarHBondContact N-OD2 3.26Å
181G67.3Low85.5Confident29 Ų2927.6 Ų27.630%0.29917%0.174SC..SBendtrans106.717.3178.700000115.8D185 R272G181-D185 WeakPolarHBondContact CA-OD2 3.5Å; G181-D185 PolarHBondContact N-OD2 3.2Å; G181-R272 PolarHBondContact O-NH2 2.73Å; G181-R272 VanDerWaalsContact O-NH2 3.08Å
182G75.7Confident85.4Confident17 Ų1727.8 Ų27.818%0.17518%0.175CC..  trans-72.8170.7173.800000114.2D185G182-D185 VanDerWaalsContact N-CG 3.26Å; G182-D185 PolarHBondContact N-OD2 3.03Å; G182-D185 WeakPolarHBondContact O-CB 3.15Å
183T82.9Confident85.5Confident3 Ų329.8 Ų29.82%0.01818%0.183CC..SBendtrans-71.1-35.2178.6-54.30000112.4D185 F203 I204 R272 I275 A276 W279T183-D185 VanDerWaalsContact C-N 3.27Å; T183-D185 PolarHBondContact O-N 3.39Å; T183-F203 WeakPolarHBondContact O-CE2 3.36Å; T183-I204 HydrophobicContact CG2-CD1 4.18Å; T183-R272 HydrophobicContact CG2-CB 4.38Å; T183-R272 WeakPolarHBondContact CG2-O 3.28Å; T183-I275 HydrophobicContact CG2-CB 4.27Å; T183-I275 HydrophobicContact CG2-CG2 4.11Å; T183-I275 WeakPolarHBondContact OG1-CG2 3.14Å; T183-A276 HydrophobicContact CG2-CB 3.92Å; T183-W279 HydrophobicContact CG2-CH2 4.18Å; T183-W279 HydrophobicContact CG2-CZ3 3.91Å
184T87.1Confident85.6Confident23 Ų2329.8 Ų29.814%0.14118%0.183CC..THydrogen-bonded Turntrans-84.1-3-179.753.10000113.3Y186 A187 M210 M212 W279T184-Y186 PolarHBondContact O-N 3.38Å; T184-Y186 VanDerWaalsContact O-N 3.11Å; T184-A187 WeakPolarHBondContact O-CB 3.27Å; T184-A187 PolarHBondContact O-N 3.26Å; T184-A187 VanDerWaalsContact O-N 3.09Å; T184-M210 HydrophobicContact CG2-SD 4.04Å; T184-M212 HydrophobicContact CG2-CE 3.9Å; T184-M212 HydrophobicContact CG2-SD 4.45Å; T184-W279 HydrophobicContact CG2-CZ3 3.89Å
185D88Confident85.8Confident17 Ų1731.3 Ų31.39%0.09119%0.192CC..THydrogen-bonded Turntrans-65.3-17.9-173.5-77.916.9000113.3P179 G180 G181 G182 T183 A187 V188 E189 F203P179-D185 HydrophobicContact CB-CB 3.53Å; P179-D185 WeakPolarHBondContact CB-OD2 3.45Å; G180-D185 PolarHBondContact N-OD2 3.26Å; G181-D185 WeakPolarHBondContact CA-OD2 3.5Å; G181-D185 PolarHBondContact N-OD2 3.2Å; G182-D185 VanDerWaalsContact N-CG 3.26Å; G182-D185 PolarHBondContact N-OD2 3.03Å; G182-D185 WeakPolarHBondContact O-CB 3.15Å; T183-D185 VanDerWaalsContact C-N 3.27Å; T183-D185 PolarHBondContact O-N 3.39Å; D185-A187 PolarHBondContact O-N 2.93Å; D185-V188 PolarHBondContact O-N 2.73Å; D185-E189 WeakPolarHBondContact O-CB 3.28Å; D185-E189 PolarHBondContact O-N 3.22Å; D185-F203 HydrophobicContact CB-CZ 4.35Å
186Y92.9Very high86.1Confident0 Ų033.5 Ų33.50%020%0.198CC..Hα-helixtrans-55.7-36173.785.6-79.3000110.8T184 V188 E189 I190 Y200 F203 I204 M210 M212 F246 P248T184-Y186 PolarHBondContact O-N 3.38Å; T184-Y186 VanDerWaalsContact O-N 3.11Å; Y186-V188 PolarHBondContact O-N 2.76Å; Y186-E189 PolarHBondContact O-N 3.18Å; Y186-I190 VanDerWaalsContact O-CB 3.28Å; Y186-I190 WeakPolarHBondContact O-CB 3.41Å; Y186-I190 WeakPolarHBondContact O-CG2 3.35Å; Y186-I190 PolarHBondContact O-N 3.04Å; Y186-Y200 WeakPolarHBondContact CA-OH 3.24Å; Y186-Y200 WeakPolarHBondContact CB-OH 3.23Å; Y186-F203 VanDerWaalsContact N-CZ 3.3Å; Y186-I204 HydrophobicContact CD1-CB 4.38Å; Y186-I204 HydrophobicContact CD1-CG1 3.85Å; Y186-I204 HydrophobicContact CE1-CG1 4.46Å; Y186-I204 HydrophobicContact CG-CB 4.34Å; Y186-I204 HydrophobicContact CG-CG1 4.12Å; Y186-M210 HydrophobicContact CD1-CE 4.03Å; Y186-M210 HydrophobicContact CE1-CE 3.27Å; Y186-M210 HydrophobicContact CE1-SD 4.46Å; Y186-M212 HydrophobicContact CD1-CE 4.5Å; Y186-M212 HydrophobicContact CE1-CE 3.52Å; Y186-F246 WeakPolarHBondContact OH-CE2 3.47Å; Y186-P248 HydrophobicContact CD2-CB 4.43Å; Y186-P248 HydrophobicContact CD2-CG 4.17Å; Y186-P248 HydrophobicContact CE2-CB 4.11Å; Y186-P248 HydrophobicContact CE2-CG 3.74Å
187A93.8Very high86.7Confident0 Ų036.1 Ų36.10%021%0.206CC..Hα-helixtrans-73.3-9.8-179.400000113.3I173 T184 D185 Y191 M212 F246I173-A187 HydrophobicContact CD1-CB 3.82Å; I173-A187 HydrophobicContact CG1-CB 4.06Å; T184-A187 WeakPolarHBondContact O-CB 3.27Å; T184-A187 PolarHBondContact O-N 3.26Å; T184-A187 VanDerWaalsContact O-N 3.09Å; D185-A187 PolarHBondContact O-N 2.93Å; A187-Y191 WeakPolarHBondContact O-CD2 3.4Å; A187-Y191 WeakPolarHBondContact O-CE2 3.47Å; A187-M212 HydrophobicContact CB-CE 3.71Å; A187-M212 HydrophobicContact CB-SD 4.03Å; A187-F246 HydrophobicContact CB-CE2 4.07Å; A187-F246 HydrophobicContact CB-CZ 4.12Å
188V93.5Very high87.8Confident3 Ų333.7 Ų33.72%0.01820%0.203CC..Hα-helixtrans-102.4-47.4169.9-1770000109.7I173 S174 P179 D185 Y186 I190 Y191 F192 M307I173-V188 HydrophobicContact CB-CG2 4.39Å; I173-V188 HydrophobicContact CG1-CG2 4.34Å; I173-V188 HydrophobicContact CG2-CG2 4.22Å; S174-V188 WeakPolarHBondContact O-CG1 3.44Å; P179-V188 HydrophobicContact CG-CG1 4.45Å; D185-V188 PolarHBondContact O-N 2.73Å; Y186-V188 PolarHBondContact O-N 2.76Å; V188-I190 VanDerWaalsContact C-N 3.28Å; V188-I190 PolarHBondContact O-N 3.42Å; V188-Y191 PolarHBondContact O-N 2.75Å; V188-F192 HydrophobicContact CG1-CD2 4.03Å; V188-F192 HydrophobicContact CG1-CE2 3.77Å; V188-M307 HydrophobicContact CG1-CE 4.22Å
189E93.5Very high88.9Confident58 Ų5832.2 Ų32.227%0.27120%0.196SC..Hα-helixtrans-57.9-40.2-176.3-165.1177.6169.100112.2P179 D185 Y186 Y191 F192 K193 Y200 F203P179-E189 HydrophobicContact CG-CB 3.97Å; P179-E189 HydrophobicContact CG-CG 4.35Å; D185-E189 WeakPolarHBondContact O-CB 3.28Å; D185-E189 PolarHBondContact O-N 3.22Å; Y186-E189 PolarHBondContact O-N 3.18Å; E189-Y191 VanDerWaalsContact C-N 3.26Å; E189-Y191 PolarHBondContact O-N 3.3Å; E189-F192 PolarHBondContact O-N 2.97Å; E189-K193 HydrophobicContact CG-CG 4.04Å; E189-K193 WeakPolarHBondContact O-CB 3.39Å; E189-K193 VanDerWaalsContact O-CG 3.32Å; E189-K193 WeakPolarHBondContact O-CG 3.39Å; E189-K193 PolarHBondContact O-N 3.29Å; E189-Y200 HydrophobicContact CB-CE2 3.98Å; E189-Y200 HydrophobicContact CG-CD2 4.42Å; E189-Y200 HydrophobicContact CG-CE2 3.67Å; E189-F203 WeakPolarHBondContact OE2-CE1 3.48Å
190I96.3Very high90.2Very high0 Ų030.1 Ų30.10%018%0.182CC..Hα-helixtrans-56.2-37.8179.4-167.6169.8000112.8Y186 V188 A194 Y200 V251 I255 F262 L264Y186-I190 VanDerWaalsContact O-CB 3.28Å; Y186-I190 WeakPolarHBondContact O-CB 3.41Å; Y186-I190 WeakPolarHBondContact O-CG2 3.35Å; Y186-I190 PolarHBondContact O-N 3.04Å; V188-I190 VanDerWaalsContact C-N 3.28Å; V188-I190 PolarHBondContact O-N 3.42Å; I190-A194 VanDerWaalsContact O-CB 3.22Å; I190-A194 WeakPolarHBondContact O-CB 3.37Å; I190-A194 PolarHBondContact O-N 2.98Å; I190-Y200 HydrophobicContact CB-CD1 3.61Å; I190-Y200 HydrophobicContact CB-CE1 3.87Å; I190-Y200 HydrophobicContact CB-CG 4.09Å; I190-Y200 HydrophobicContact CD1-CD1 3.83Å; I190-Y200 HydrophobicContact CD1-CE1 4.45Å; I190-Y200 HydrophobicContact CG1-CD1 3.49Å; I190-Y200 VanDerWaalsContact CG1-CD1 3.49Å; I190-Y200 HydrophobicContact CG1-CE1 4.21Å; I190-Y200 HydrophobicContact CG1-CG 3.93Å; I190-V251 HydrophobicContact CD1-CB 4.19Å; I190-V251 HydrophobicContact CD1-CG1 3.98Å; I190-V251 HydrophobicContact CG2-CG1 3.67Å; I190-I255 HydrophobicContact CD1-CD1 4.13Å; I190-I255 HydrophobicContact CG1-CD1 3.77Å; I190-I255 HydrophobicContact CG2-CD1 4.25Å; I190-F262 HydrophobicContact CD1-CE1 4.16Å; I190-F262 HydrophobicContact CD1-CZ 4.04Å; I190-F262 HydrophobicContact CG1-CE1 4.18Å; I190-F262 HydrophobicContact CG1-CZ 3.63Å; I190-L264 HydrophobicContact CD1-CD1 4.29Å
191Y96.6Very high91.8Very high0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-71.7-44179-68.2-72.7000111.9A187 V188 E189 K193 A194 V195 V251 I255 M303 T304 M307 L308A187-Y191 WeakPolarHBondContact O-CD2 3.4Å; A187-Y191 WeakPolarHBondContact O-CE2 3.47Å; V188-Y191 PolarHBondContact O-N 2.75Å; E189-Y191 VanDerWaalsContact C-N 3.26Å; E189-Y191 PolarHBondContact O-N 3.3Å; Y191-K193 VanDerWaalsContact C-N 3.31Å; Y191-K193 PolarHBondContact O-N 3.34Å; Y191-A194 PolarHBondContact O-N 3.31Å; Y191-V195 WeakPolarHBondContact O-CG2 3.42Å; Y191-V195 PolarHBondContact O-N 2.98Å; Y191-V195 VanDerWaalsContact O-N 3.12Å; Y191-V251 HydrophobicContact CE1-CG1 4.3Å; Y191-V251 HydrophobicContact CE2-CG1 4.1Å; Y191-I255 HydrophobicContact CD1-CD1 3.74Å; Y191-I255 HydrophobicContact CD1-CG1 3.78Å; Y191-I255 HydrophobicContact CE1-CD1 3.8Å; Y191-I255 HydrophobicContact CE1-CG1 3.57Å; Y191-I255 HydrophobicContact CG-CD1 4.42Å; Y191-M303 HydrophobicContact CE2-CE 4.21Å; Y191-M303 VanDerWaalsContact OH-CE 3.3Å; Y191-M303 WeakPolarHBondContact OH-CE 3.44Å; Y191-T304 HydrophobicContact CE1-CG2 3.74Å; Y191-T304 PolarHBondContact OH-OG1 3.46Å; Y191-M307 HydrophobicContact CD1-CB 3.95Å; Y191-M307 HydrophobicContact CD2-CB 4.16Å; Y191-M307 HydrophobicContact CD2-CE 3.89Å; Y191-M307 HydrophobicContact CD2-CG 4.18Å; Y191-M307 HydrophobicContact CE1-CB 4.31Å; Y191-M307 HydrophobicContact CE2-CB 4.48Å; Y191-M307 HydrophobicContact CE2-CG 4.29Å; Y191-M307 HydrophobicContact CG-CB 3.88Å; Y191-M307 HydrophobicContact CG-CE 4.24Å; Y191-M307 HydrophobicContact CG-CG 4.4Å; Y191-L308 HydrophobicContact CD1-CD2 3.95Å; Y191-L308 HydrophobicContact CD1-CG 4.17Å
192F93.9Very high93.2Very high7 Ų727.5 Ų27.53%0.03114%0.144CC..Hα-helixtrans-61.9-42.2176-78.6-81.7000111.4E178 V188 E189 V195 R196 I311E178-F192 HydrophobicContact CG-CD1 4.39Å; E178-F192 HydrophobicContact CG-CE1 3.91Å; E178-F192 HydrophobicContact CG-CE2 4.17Å; E178-F192 HydrophobicContact CG-CZ 3.8Å; V188-F192 HydrophobicContact CG1-CD2 4.03Å; V188-F192 HydrophobicContact CG1-CE2 3.77Å; E189-F192 PolarHBondContact O-N 2.97Å; F192-V195 PolarHBondContact O-N 3.06Å; F192-R196 VanDerWaalsContact O-CB 3.29Å; F192-R196 WeakPolarHBondContact O-CB 3.12Å; F192-R196 VanDerWaalsContact O-CG 3.27Å; F192-R196 WeakPolarHBondContact O-CG 3.21Å; F192-R196 PolarHBondContact O-N 3.45Å; F192-I311 HydrophobicContact CD1-CB 4.5Å; F192-I311 HydrophobicContact CD1-CD1 3.98Å; F192-I311 HydrophobicContact CD1-CG1 3.97Å; F192-I311 HydrophobicContact CD1-CG2 3.7Å; F192-I311 HydrophobicContact CD2-CD1 3.88Å; F192-I311 HydrophobicContact CE1-CB 4.42Å; F192-I311 HydrophobicContact CE1-CD1 4.07Å; F192-I311 HydrophobicContact CE1-CG1 3.69Å; F192-I311 HydrophobicContact CE1-CG2 3.99Å; F192-I311 HydrophobicContact CE2-CD1 3.95Å; F192-I311 HydrophobicContact CE2-CG1 4.26Å; F192-I311 HydrophobicContact CG-CD1 3.89Å; F192-I311 HydrophobicContact CG-CG1 4.39Å; F192-I311 HydrophobicContact CG-CG2 4.45Å; F192-I311 HydrophobicContact CZ-CD1 4.05Å; F192-I311 HydrophobicContact CZ-CG1 3.84Å
193K95Very high94.1Very high58 Ų5827.6 Ų27.625%0.25214%0.139SC..Hα-helixtrans-69.5-37.4178.8-73.6-73-166.5175.20112.5E189 Y191 E197 G198 H199 Y200E189-K193 HydrophobicContact CG-CG 4.04Å; E189-K193 WeakPolarHBondContact O-CB 3.39Å; E189-K193 VanDerWaalsContact O-CG 3.32Å; E189-K193 WeakPolarHBondContact O-CG 3.39Å; E189-K193 PolarHBondContact O-N 3.29Å; Y191-K193 VanDerWaalsContact C-N 3.31Å; Y191-K193 PolarHBondContact O-N 3.34Å; K193-E197 VanDerWaalsContact CD-CD 3.46Å; K193-E197 HydrophobicContact CD-CG 4.45Å; K193-E197 WeakPolarHBondContact CD-OE1 3.34Å; K193-E197 WeakPolarHBondContact CD-OE2 3.43Å; K193-E197 IonicContact NZ-OE1 2.83Å; K193-E197 PolarHBondContact NZ-OE1 3.03Å; K193-E197 IonicContact NZ-OE2 3.43Å; K193-E197 PolarHBondContact NZ-OE2 2.65Å; K193-E197 CarbonylContact O-C 3.6Å; K193-E197 WeakPolarHBondContact O-CA 3.47Å; K193-E197 WeakPolarHBondContact O-CB 3.49Å; K193-E197 PolarHBondContact O-N 3.11Å; K193-G198 PolarHBondContact O-N 3.49Å; K193-G198 VanDerWaalsContact O-N 3.11Å; K193-H199 WeakPolarHBondContact CB-O 3.23Å; K193-Y200 HydrophobicContact CB-CD2 3.85Å; K193-Y200 HydrophobicContact CB-CG 4.31Å; K193-Y200 HydrophobicContact CG-CD2 3.77Å; K193-Y200 HydrophobicContact CG-CE2 4.38Å
194A96.4Very high94.7Very high1 Ų127.5 Ų27.51%0.00814%0.139CC..Hα-helixtrans-59.1-49.9172.600000112.2I190 Y191 G198 I255 F262I190-A194 VanDerWaalsContact O-CB 3.22Å; I190-A194 WeakPolarHBondContact O-CB 3.37Å; I190-A194 PolarHBondContact O-N 2.98Å; Y191-A194 PolarHBondContact O-N 3.31Å; A194-G198 VanDerWaalsContact O-CA 3.31Å; A194-G198 WeakPolarHBondContact O-CA 3.44Å; A194-G198 PolarHBondContact O-N 3.43Å; A194-I255 HydrophobicContact CB-CD1 4.18Å; A194-I255 HydrophobicContact CB-CG2 3.67Å; A194-F262 HydrophobicContact CB-CD2 3.54Å; A194-F262 HydrophobicContact CB-CE2 3.57Å; A194-F262 HydrophobicContact CB-CG 4.22Å; A194-F262 HydrophobicContact CB-CZ 4.25Å
195V94.9Very high95.2Very high31 Ų3129.5 Ų29.519%0.18815%0.148CC..Hα-helixtrans-68-42.8-178.8176.80000111.9Y191 F192 Y259 L308 I311 E312Y191-V195 WeakPolarHBondContact O-CG2 3.42Å; Y191-V195 PolarHBondContact O-N 2.98Å; Y191-V195 VanDerWaalsContact O-N 3.12Å; F192-V195 PolarHBondContact O-N 3.06Å; V195-Y259 HydrophobicContact CG2-CE2 4.35Å; V195-L308 HydrophobicContact CG2-CD2 3.64Å; V195-I311 HydrophobicContact CB-CG2 3.9Å; V195-I311 HydrophobicContact CG1-CG2 4Å; V195-I311 HydrophobicContact CG2-CB 4.28Å; V195-I311 HydrophobicContact CG2-CG2 3.98Å; V195-E312 HydrophobicContact CG1-CG 3.88Å; V195-E312 HydrophobicContact CG2-CG 4.37Å
196R93.7Very high95.6Very high99 Ų9934.8 Ų34.837%0.37417%0.171SC..Hα-helixtrans-84.8-35.1-172.3-66.9173177.3168.90.8114.2E178 F192 D315E178-R196 IonicContact OE1-CZ 3.58Å; E178-R196 IonicContact OE1-NH1 3.54Å; E178-R196 PolarHBondContact OE1-NH1 2.85Å; E178-R196 IonicContact OE1-NH2 2.74Å; E178-R196 PolarHBondContact OE1-NH2 2.87Å; E178-R196 IonicContact OE2-NH1 2.65Å; F192-R196 VanDerWaalsContact O-CB 3.29Å; F192-R196 WeakPolarHBondContact O-CB 3.12Å; F192-R196 VanDerWaalsContact O-CG 3.27Å; F192-R196 WeakPolarHBondContact O-CG 3.21Å; F192-R196 PolarHBondContact O-N 3.45Å; R196-D315 WeakPolarHBondContact CG-OD2 3.43Å; R196-D315 IonicContact CZ-OD1 3.56Å; R196-D315 IonicContact CZ-OD2 3.67Å; R196-D315 IonicContact NE-OD1 2.7Å; R196-D315 PolarHBondContact NE-OD1 3.47Å; R196-D315 IonicContact NE-OD2 3.38Å; R196-D315 PolarHBondContact NE-OD2 3.2Å; R196-D315 IonicContact NH2-OD1 3.58Å; R196-D315 PolarHBondContact NH2-OD1 2.86Å; R196-D315 IonicContact NH2-OD2 3.91Å
197E95.8Very high95.7Very high116 Ų11637.1 Ų37.154%0.54219%0.194SC..Hα-helixtrans-124.4-16.8-168.1-66.1170.8-14700112.9K193 H199K193-E197 VanDerWaalsContact CD-CD 3.46Å; K193-E197 HydrophobicContact CD-CG 4.45Å; K193-E197 WeakPolarHBondContact CD-OE1 3.34Å; K193-E197 WeakPolarHBondContact CD-OE2 3.43Å; K193-E197 IonicContact NZ-OE1 2.83Å; K193-E197 PolarHBondContact NZ-OE1 3.03Å; K193-E197 IonicContact NZ-OE2 3.43Å; K193-E197 PolarHBondContact NZ-OE2 2.65Å; K193-E197 CarbonylContact O-C 3.6Å; K193-E197 WeakPolarHBondContact O-CA 3.47Å; K193-E197 WeakPolarHBondContact O-CB 3.49Å; K193-E197 PolarHBondContact O-N 3.11Å; E197-H199 PolarHBondContact O-N 3.34Å
198G97Very high95.9Very high27 Ų2737.7 Ų37.728%0.27820%0.198SC..SBendtrans67.312-174.400000113.6K193 A194 F262 T263K193-G198 PolarHBondContact O-N 3.49Å; K193-G198 VanDerWaalsContact O-N 3.11Å; A194-G198 VanDerWaalsContact O-CA 3.31Å; A194-G198 WeakPolarHBondContact O-CA 3.44Å; A194-G198 PolarHBondContact O-N 3.43Å; G198-F262 WeakPolarHBondContact O-CA 3.3Å; G198-T263 PolarHBondContact O-N 2.88Å
199H98.1Very high96Very high57 Ų5742.2 Ų42.226%0.26422%0.215SC..EExtended strand (participates in β ladder)trans-152.7144.7-176.2175.369.4000110.7K193 E197 T201 T263 D265K193-H199 WeakPolarHBondContact CB-O 3.23Å; E197-H199 PolarHBondContact O-N 3.34Å; H199-T201 PolarHBondContact NE2-OG1 3.35Å; H199-T263 WeakPolarHBondContact CA-O 3.09Å; H199-T263 PolarHBondContact ND1-O 2.84Å; H199-T263 PolarHBondContact ND1-OG1 3.46Å; H199-D265 VanDerWaalsContact CE1-CG 3.42Å; H199-D265 IonicContact CE1-OD1 3.67Å; H199-D265 IonicContact CE1-OD2 3.17Å; H199-D265 PolarHBondContact CE1-OD2 3.17Å; H199-D265 IonicContact NE2-OD1 3.63Å; H199-D265 IonicContact NE2-OD2 3.41Å; H199-D265 PolarHBondContact NE2-OD2 2.8Å
200Y97.9Very high96.1Very high3 Ų339.4 Ų39.41%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-137140.3172.3179.9-123.5000111.5Y186 E189 I190 K193 S202 F203 T263 L264 D265Y186-Y200 WeakPolarHBondContact CA-OH 3.24Å; Y186-Y200 WeakPolarHBondContact CB-OH 3.23Å; E189-Y200 HydrophobicContact CB-CE2 3.98Å; E189-Y200 HydrophobicContact CG-CD2 4.42Å; E189-Y200 HydrophobicContact CG-CE2 3.67Å; I190-Y200 HydrophobicContact CB-CD1 3.61Å; I190-Y200 HydrophobicContact CB-CE1 3.87Å; I190-Y200 HydrophobicContact CB-CG 4.09Å; I190-Y200 HydrophobicContact CD1-CD1 3.83Å; I190-Y200 HydrophobicContact CD1-CE1 4.45Å; I190-Y200 HydrophobicContact CG1-CD1 3.49Å; I190-Y200 VanDerWaalsContact CG1-CD1 3.49Å; I190-Y200 HydrophobicContact CG1-CE1 4.21Å; I190-Y200 HydrophobicContact CG1-CG 3.93Å; K193-Y200 HydrophobicContact CB-CD2 3.85Å; K193-Y200 HydrophobicContact CB-CG 4.31Å; K193-Y200 HydrophobicContact CG-CD2 3.77Å; K193-Y200 HydrophobicContact CG-CE2 4.38Å; Y200-S202 VanDerWaalsContact CE1-CA 3.5Å; Y200-F203 WeakPolarHBondContact OH-CE1 3.25Å; Y200-T263 PolarHBondContact N-O 3.33Å; Y200-L264 HydrophobicContact CD1-CD1 3.6Å; Y200-L264 HydrophobicContact CE1-CD1 4.42Å; Y200-L264 HydrophobicContact CG-CD1 4.36Å; Y200-L264 WeakPolarHBondContact O-CA 3.42Å; Y200-D265 PolarHBondContact O-N 2.66Å
201T97.6Very high96.1Very high58 Ų5839.6 Ų39.636%0.35620%0.203SC..EExtended strand (participates in β ladder)trans-105.6109.4169.2-57.80000108.9H199 D265 D267H199-T201 PolarHBondContact NE2-OG1 3.35Å; T201-D265 VanDerWaalsContact CA-OD1 3.23Å; T201-D265 WeakPolarHBondContact CA-OD1 3.48Å; T201-D265 WeakPolarHBondContact CB-OD1 3.44Å; T201-D265 VanDerWaalsContact CG2-OD1 3.23Å; T201-D265 WeakPolarHBondContact CG2-OD1 3.41Å; T201-D265 PolarHBondContact OG1-OD1 3.46Å; T201-D267 HydrophobicContact CG2-CB 3.51Å
202S96.9Very high96.1Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-79.3134.2-179-176.70000111.8Y200 I204 D265 Y266 D267Y200-S202 VanDerWaalsContact CE1-CA 3.5Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 WeakPolarHBondContact CB-O 3.32Å; S202-I204 PolarHBondContact OG-N 3.35Å; S202-I204 VanDerWaalsContact OG-N 3.09Å; S202-I204 PolarHBondContact OG-O 3.28Å; S202-D265 PolarHBondContact N-O 2.97Å; S202-Y266 WeakPolarHBondContact O-CA 3.28Å; S202-D267 CarbonylContact O-C 3.59Å; S202-D267 PolarHBondContact O-N 3.26Å
203F94Very high96.3Very high19 Ų1939.3 Ų39.38%0.08320%0.202CC..SBendtrans-86.9-3.216957.7-104000113.4T183 D185 Y186 E189 Y200 D267 D269 R272T183-F203 WeakPolarHBondContact O-CE2 3.36Å; D185-F203 HydrophobicContact CB-CZ 4.35Å; Y186-F203 VanDerWaalsContact N-CZ 3.3Å; E189-F203 WeakPolarHBondContact OE2-CE1 3.48Å; Y200-F203 WeakPolarHBondContact OH-CE1 3.25Å; F203-D267 WeakPolarHBondContact CA-O 3.42Å; F203-D269 HydrophobicContact CB-CB 4.03Å; F203-D269 PolarHBondContact O-N 3.34Å; F203-R272 VanDerWaalsContact CD1-NH1 3.31Å; F203-R272 HydrophobicContact CD2-CB 4.1Å; F203-R272 HydrophobicContact CD2-CG 4.39Å; F203-R272 HydrophobicContact CE2-CB 4.48Å; F203-R272 VanDerWaalsContact CE2-CD 3.47Å
204I95.8Very high96.4Very high0 Ų036.6 Ų36.60%019%0.19CC..SBendtrans-109.1131.7170.6-61.9-58.9000108.8T183 Y186 S202 T208 M210 P248 Y266 R272 A276T183-I204 HydrophobicContact CG2-CD1 4.18Å; Y186-I204 HydrophobicContact CD1-CB 4.38Å; Y186-I204 HydrophobicContact CD1-CG1 3.85Å; Y186-I204 HydrophobicContact CE1-CG1 4.46Å; Y186-I204 HydrophobicContact CG-CB 4.34Å; Y186-I204 HydrophobicContact CG-CG1 4.12Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 WeakPolarHBondContact CB-O 3.32Å; S202-I204 PolarHBondContact OG-N 3.35Å; S202-I204 VanDerWaalsContact OG-N 3.09Å; S202-I204 PolarHBondContact OG-O 3.28Å; I204-T208 HydrophobicContact CG2-CG2 3.87Å; I204-M210 HydrophobicContact CG1-CE 4.21Å; I204-M210 HydrophobicContact CG2-CE 3.89Å; I204-P248 HydrophobicContact CB-CG 4.42Å; I204-P248 HydrophobicContact CG2-CG 4.11Å; I204-Y266 VanDerWaalsContact O-CD1 3.27Å; I204-Y266 WeakPolarHBondContact O-CD1 3.39Å; I204-Y266 VanDerWaalsContact O-CE1 3.29Å; I204-Y266 WeakPolarHBondContact O-CE1 3.32Å; I204-R272 HydrophobicContact CD1-CB 4.13Å; I204-A276 HydrophobicContact CD1-CB 4.04Å
205D97.3Very high96.3Very high65 Ų6536.5 Ų36.535%0.34819%0.19SC..  trans-70.6154.3-178.5-159.88.5000112.2T208 V268D205-T208 VanDerWaalsContact O-CB 3.31Å; D205-T208 WeakPolarHBondContact O-CB 3.41Å; D205-T208 PolarHBondContact O-N 2.95Å; D205-T208 PolarHBondContact O-OG1 3.46Å; D205-V268 HydrophobicContact CB-CG1 4.35Å; D205-V268 HydrophobicContact CB-CG2 3.78Å
206K96.6Very high96.4Very high129 Ų12938.1 Ų38.156%0.56120%0.197SC*.THydrogen-bonded Turntrans-59149.8172.865-174.8176.2-176.90111.6T208 E249 Y266K206-T208 PolarHBondContact O-N 3.46Å; K206-E249 HydrophobicContact CB-CG 4.04Å; K206-Y266 HydrophobicContact CB-CE1 4.14Å; K206-Y266 HydrophobicContact CB-CE2 4.4Å; K206-Y266 WeakPolarHBondContact CB-OH 3.33Å
207G96.3Very high96.6Very high48 Ų4833.6 Ų33.650%0.49518%0.181SC..THydrogen-bonded Turntrans73.33.3-177.100000114.8Y209 D247G207-Y209 WeakPolarHBondContact O-CD2 3.3Å; G207-Y209 PolarHBondContact O-N 3Å; G207-D247 PolarHBondContact N-OD2 3.49Å
208T96.8Very high96.7Very high12 Ų1228.1 Ų28.17%0.07416%0.155CC..  trans-84.9101.8170.4-48.60000109I204 D205 K206 M210 D247 Q273 A276I204-T208 HydrophobicContact CG2-CG2 3.87Å; D205-T208 VanDerWaalsContact O-CB 3.31Å; D205-T208 WeakPolarHBondContact O-CB 3.41Å; D205-T208 PolarHBondContact O-N 2.95Å; D205-T208 PolarHBondContact O-OG1 3.46Å; K206-T208 PolarHBondContact O-N 3.46Å; T208-M210 HydrophobicContact CG2-CE 4.36Å; T208-D247 WeakPolarHBondContact O-CA 3.42Å; T208-Q273 PolarHBondContact OG1-NE2 3.44Å; T208-A276 HydrophobicContact CG2-CB 3.88Å
209Y96.9Very high96.8Very high98 Ų9827.1 Ų27.138%0.38414%0.143SC..  trans-81.5140.3176.9-73.8-92000111G207 D247 M250G207-Y209 WeakPolarHBondContact O-CD2 3.3Å; G207-Y209 PolarHBondContact O-N 3Å; Y209-D247 HydrophobicContact CE1-CB 4.43Å; Y209-M250 HydrophobicContact CE1-SD 3.94Å
210M94.2Very high96.8Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-140.8139.2169.9-78177.5-85.300109.9T184 Y186 I204 T208 M212 S245 F246 A276 W279T184-M210 HydrophobicContact CG2-SD 4.04Å; Y186-M210 HydrophobicContact CD1-CE 4.03Å; Y186-M210 HydrophobicContact CE1-CE 3.27Å; Y186-M210 HydrophobicContact CE1-SD 4.46Å; I204-M210 HydrophobicContact CG1-CE 4.21Å; I204-M210 HydrophobicContact CG2-CE 3.89Å; T208-M210 HydrophobicContact CG2-CE 4.36Å; M210-M212 HydrophobicContact CB-CE 4Å; M210-M212 HydrophobicContact SD-CE 4.48Å; M210-S245 WeakPolarHBondContact O-CA 3.4Å; M210-F246 PolarHBondContact N-O 2.66Å; M210-F246 PolarHBondContact O-N 2.74Å; M210-A276 HydrophobicContact CE-CB 4.07Å; M210-A276 HydrophobicContact SD-CB 3.9Å; M210-W279 HydrophobicContact SD-CE3 4.22Å; M210-W279 HydrophobicContact SD-CZ3 4.37Å
211D96.5Very high96.8Very high4 Ų428.5 Ų28.52%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-64.5139.8166.3-74.1-76000110.5P170 G171 S242 M244 S282 I283P170-D211 HydrophobicContact CB-CB 3.74Å; P170-D211 VanDerWaalsContact CB-O 3.32Å; P170-D211 WeakPolarHBondContact CB-O 3.37Å; G171-D211 PolarHBondContact N-O 2.9Å; D211-S242 WeakPolarHBondContact CB-OG 3.5Å; D211-S242 VanDerWaalsContact CG-OG 3.32Å; D211-S242 VanDerWaalsContact OD1-CB 3.23Å; D211-S242 WeakPolarHBondContact OD1-CB 3.43Å; D211-S242 PolarHBondContact OD1-OG 2.99Å; D211-M244 CarbonylContact C-O 3.55Å; D211-M244 WeakPolarHBondContact CA-O 3.44Å; D211-S282 WeakPolarHBondContact OD2-CA 3.3Å; D211-I283 HydrophobicContact CB-CD1 4.18Å; D211-I283 PolarHBondContact OD1-N 3.3Å; D211-I283 WeakPolarHBondContact OD2-CB 3.37Å; D211-I283 WeakPolarHBondContact OD2-CD1 3.27Å; D211-I283 WeakPolarHBondContact OD2-CG1 3.34Å; D211-I283 PolarHBondContact OD2-N 3.38Å
212M96.9Very high96.9Very high0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-141.4157.3-176.6-66.4-78.2-177.100110.4G171 I173 T184 Y186 A187 M210 A243 M244 F246G171-M212 VanDerWaalsContact CA-SD 3.54Å; G171-M212 CarbonylContact O-C 3.5Å; G171-M212 VanDerWaalsContact O-CA 3.27Å; G171-M212 WeakPolarHBondContact O-CA 3.18Å; I173-M212 HydrophobicContact CD1-CB 4.08Å; I173-M212 HydrophobicContact CD1-CG 4.31Å; I173-M212 HydrophobicContact CD1-SD 4.09Å; I173-M212 HydrophobicContact CG1-SD 4.31Å; T184-M212 HydrophobicContact CG2-CE 3.9Å; T184-M212 HydrophobicContact CG2-SD 4.45Å; Y186-M212 HydrophobicContact CD1-CE 4.5Å; Y186-M212 HydrophobicContact CE1-CE 3.52Å; A187-M212 HydrophobicContact CB-CE 3.71Å; A187-M212 HydrophobicContact CB-SD 4.03Å; M210-M212 HydrophobicContact CB-CE 4Å; M210-M212 HydrophobicContact SD-CE 4.48Å; M212-A243 PolarHBondContact O-N 3.43Å; M212-A243 VanDerWaalsContact O-N 3.11Å; M212-M244 HydrophobicContact CB-CG 4.24Å; M212-M244 PolarHBondContact N-O 2.89Å; M212-M244 PolarHBondContact O-N 3.2Å; M212-F246 HydrophobicContact CB-CD1 4.38Å; M212-F246 HydrophobicContact CB-CE1 3.58Å; M212-F246 HydrophobicContact CB-CZ 3.78Å; M212-F246 HydrophobicContact CE-CE2 4.43Å; M212-F246 HydrophobicContact CG-CD1 4.45Å; M212-F246 HydrophobicContact CG-CE1 3.72Å; M212-F246 HydrophobicContact CG-CE2 3.93Å; M212-F246 HydrophobicContact CG-CZ 3.45Å; M212-F246 VanDerWaalsContact CG-CZ 3.45Å; M212-F246 HydrophobicContact SD-CZ 4.37Å
213M97.5Very high96.9Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-151.5142.9175.3-179.7165.847.800110F169 P170 G171 L172 I173 D217 A218 L241 A243 F294F169-M213 HydrophobicContact CD1-CE 3.62Å; F169-M213 HydrophobicContact CE1-CE 3.86Å; P170-M213 HydrophobicContact CG-CB 3.65Å; P170-M213 HydrophobicContact CG-CE 3.91Å; G171-M213 PolarHBondContact O-N 3.35Å; L172-M213 WeakPolarHBondContact CA-O 3.24Å; L172-M213 HydrophobicContact CD2-CB 4.13Å; L172-M213 HydrophobicContact CD2-CE 4.02Å; I173-M213 PolarHBondContact N-O 3.3Å; M213-D217 HydrophobicContact CG-CB 3.61Å; M213-D217 HydrophobicContact SD-CB 3.81Å; M213-A218 HydrophobicContact CE-CB 3.95Å; M213-L241 HydrophobicContact CE-CB 3.87Å; M213-L241 HydrophobicContact CE-CD1 4.04Å; M213-A243 HydrophobicContact CB-CB 4.11Å; M213-A243 HydrophobicContact CG-CB 4.07Å; M213-F294 HydrophobicContact SD-CE2 3.96Å; M213-F294 HydrophobicContact SD-CZ 3.74Å
214Y97Very high97.1Very high1 Ų128.9 Ų28.90%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-74146.1174.4-172.7-116.8000110.5I173 H175 D216 D217 A218 Y298 M303 L306 M307I173-Y214 HydrophobicContact CG2-CD2 4.45Å; I173-Y214 WeakPolarHBondContact O-CD2 3.41Å; H175-Y214 PolarHBondContact CE1-OH 2.73Å; H175-Y214 AromaticContact ND1-CZ 3.96Å; H175-Y214 PolarHBondContact ND1-OH 3.5Å; Y214-D216 VanDerWaalsContact C-N 3.29Å; Y214-D216 HydrophobicContact CD1-CB 3.84Å; Y214-D216 HydrophobicContact CE1-CB 3.81Å; Y214-D216 WeakPolarHBondContact CE1-OD1 3.38Å; Y214-D216 PolarHBondContact O-N 3.39Å; Y214-D217 WeakPolarHBondContact O-CB 3.49Å; Y214-D217 PolarHBondContact O-N 3.14Å; Y214-D217 VanDerWaalsContact O-N 3.13Å; Y214-A218 PolarHBondContact O-N 3.2Å; Y214-Y298 AromaticContact CD1-CD1 3.97Å; Y214-Y298 HydrophobicContact CD1-CD1 3.97Å; Y214-Y298 AromaticContact CD1-CD2 3.59Å; Y214-Y298 HydrophobicContact CD1-CD2 3.59Å; Y214-Y298 HydrophobicContact CD1-CE1 4.05Å; Y214-Y298 AromaticContact CD1-CE2 3.7Å; Y214-Y298 HydrophobicContact CD1-CE2 3.7Å; Y214-Y298 AromaticContact CD1-CG 3.73Å; Y214-Y298 HydrophobicContact CD1-CG 3.73Å; Y214-Y298 AromaticContact CD1-CZ 3.92Å; Y214-Y298 HydrophobicContact CE1-CE1 4.26Å; Y214-Y298 HydrophobicContact CE1-CE2 4.26Å; Y214-Y298 HydrophobicContact CG-CD2 4.29Å; Y214-Y298 HydrophobicContact CG-CG 4.16Å; Y214-M303 HydrophobicContact CD2-CG 3.75Å; Y214-M303 HydrophobicContact CD2-SD 4.34Å; Y214-M303 HydrophobicContact CG-CG 4.17Å; Y214-L306 HydrophobicContact CE1-CD1 4.17Å; Y214-L306 HydrophobicContact CE1-CD2 4.14Å; Y214-L306 HydrophobicContact CE2-CD2 4.05Å; Y214-L306 WeakPolarHBondContact OH-CD2 3.14Å; Y214-M307 HydrophobicContact CE2-SD 4.06Å
215M95.6Very high97.3Very high0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-59.1-37.9-171.2-172.761.768.600113.2Q12 I13 E16 L172 I173 D217 A218 I219Q12-M215 HydrophobicContact CB-CE 4.48Å; Q12-M215 HydrophobicContact CG-CE 3.67Å; I13-M215 HydrophobicContact CB-SD 4.44Å; I13-M215 HydrophobicContact CG1-CE 4.15Å; I13-M215 HydrophobicContact CG1-SD 4.11Å; I13-M215 HydrophobicContact CG2-SD 4.44Å; E16-M215 HydrophobicContact CB-CG 4.42Å; E16-M215 HydrophobicContact CG-CG 4.42Å; E16-M215 WeakPolarHBondContact OE1-CG 3.04Å; E16-M215 WeakPolarHBondContact OE2-CG 3.23Å; L172-M215 HydrophobicContact CB-CE 3.9Å; L172-M215 HydrophobicContact CD1-CE 3.98Å; L172-M215 HydrophobicContact CD1-SD 4.17Å; I173-M215 WeakPolarHBondContact O-CB 3.35Å; I173-M215 PolarHBondContact O-N 3.41Å; M215-D217 VanDerWaalsContact C-N 3.29Å; M215-D217 PolarHBondContact O-N 3.28Å; M215-A218 WeakPolarHBondContact O-CA 3.42Å; M215-A218 VanDerWaalsContact O-CB 3.3Å; M215-A218 WeakPolarHBondContact O-CB 3.38Å; M215-A218 PolarHBondContact O-N 3.1Å; M215-A218 HydrophobicContact SD-CB 4.25Å; M215-I219 HydrophobicContact CG-CG1 4.17Å; M215-I219 WeakPolarHBondContact O-CG1 3.37Å; M215-I219 PolarHBondContact O-N 2.85Å; M215-I219 HydrophobicContact SD-CD1 4.17Å; M215-I219 HydrophobicContact SD-CG1 4.31Å
216D96.5Very high97.3Very high65 Ų6526 Ų2635%0.34813%0.132SC..Hα-helixtrans-58.4-42.1178.8-68.315.1000111.7Y214 A218 I219 E220 Y298Y214-D216 VanDerWaalsContact C-N 3.29Å; Y214-D216 HydrophobicContact CD1-CB 3.84Å; Y214-D216 HydrophobicContact CE1-CB 3.81Å; Y214-D216 WeakPolarHBondContact CE1-OD1 3.38Å; Y214-D216 PolarHBondContact O-N 3.39Å; D216-A218 VanDerWaalsContact C-N 3.31Å; D216-A218 PolarHBondContact O-N 2.76Å; D216-I219 PolarHBondContact O-N 3.4Å; D216-E220 WeakPolarHBondContact O-CB 3.15Å; D216-E220 PolarHBondContact O-N 3Å; D216-Y298 HydrophobicContact CB-CE2 3.81Å; D216-Y298 PolarHBondContact OD2-OH 3.12Å
217D98.2Very high97.3Very high4 Ų425.1 Ų25.12%0.02113%0.13CC..Hα-helixtrans-64.9-36.5175.1-75.6-28.7000111.6M213 Y214 M215 A221 P296 K297 Y298M213-D217 HydrophobicContact CG-CB 3.61Å; M213-D217 HydrophobicContact SD-CB 3.81Å; Y214-D217 WeakPolarHBondContact O-CB 3.49Å; Y214-D217 PolarHBondContact O-N 3.14Å; Y214-D217 VanDerWaalsContact O-N 3.13Å; M215-D217 VanDerWaalsContact C-N 3.29Å; M215-D217 PolarHBondContact O-N 3.28Å; D217-A221 WeakPolarHBondContact O-CB 3.31Å; D217-A221 PolarHBondContact O-N 3.5Å; D217-P296 HydrophobicContact CB-CB 4.09Å; D217-P296 WeakPolarHBondContact OD1-CA 3.18Å; D217-P296 WeakPolarHBondContact OD2-CB 3.18Å; D217-K297 PolarHBondContact OD1-N 3.33Å; D217-K297 PolarHBondContact OD2-N 3.09Å; D217-Y298 WeakPolarHBondContact OD2-CD2 3.48Å; D217-Y298 PolarHBondContact OD2-N 2.87Å
218A98Very high97.4Very high0 Ų023.6 Ų23.60%011%0.113CC..Hα-helixtrans-66.1-43.8176.900000111.6F169 L172 M213 Y214 M215 D216 A221 I222F169-A218 HydrophobicContact CD1-CB 4.23Å; F169-A218 HydrophobicContact CE1-CB 3.63Å; F169-A218 HydrophobicContact CZ-CB 4.19Å; L172-A218 HydrophobicContact CD1-CB 4.26Å; L172-A218 HydrophobicContact CD2-CB 3.69Å; M213-A218 HydrophobicContact CE-CB 3.95Å; Y214-A218 PolarHBondContact O-N 3.2Å; M215-A218 WeakPolarHBondContact O-CA 3.42Å; M215-A218 VanDerWaalsContact O-CB 3.3Å; M215-A218 WeakPolarHBondContact O-CB 3.38Å; M215-A218 PolarHBondContact O-N 3.1Å; M215-A218 HydrophobicContact SD-CB 4.25Å; D216-A218 VanDerWaalsContact C-N 3.31Å; D216-A218 PolarHBondContact O-N 2.76Å; A218-A221 PolarHBondContact O-N 2.99Å; A218-I222 WeakPolarHBondContact O-CG1 3.38Å; A218-I222 PolarHBondContact O-N 2.8Å; A218-I222 VanDerWaalsContact O-N 3.14Å
219I98Very high97.4Very high7 Ų727.4 Ų27.44%0.03613%0.132CC..Hα-helixtrans-66.7-44.8177.4-60.5-52.5000111I13 E16 L17 K20 M215 D216 A221 I222 I223I13-I219 HydrophobicContact CG2-CD1 3.64Å; E16-I219 HydrophobicContact CB-CD1 4.18Å; E16-I219 HydrophobicContact CB-CG1 4.07Å; L17-I219 HydrophobicContact CB-CD1 3.9Å; L17-I219 HydrophobicContact CD1-CD1 4.39Å; L17-I219 HydrophobicContact CD1-CG2 4.08Å; K20-I219 HydrophobicContact CB-CG2 3.59Å; K20-I219 HydrophobicContact CG-CG2 3.76Å; M215-I219 HydrophobicContact CG-CG1 4.17Å; M215-I219 WeakPolarHBondContact O-CG1 3.37Å; M215-I219 PolarHBondContact O-N 2.85Å; M215-I219 HydrophobicContact SD-CD1 4.17Å; M215-I219 HydrophobicContact SD-CG1 4.31Å; D216-I219 PolarHBondContact O-N 3.4Å; I219-A221 VanDerWaalsContact C-N 3.29Å; I219-A221 PolarHBondContact O-N 2.9Å; I219-I222 HydrophobicContact CD1-CD1 4.49Å; I219-I222 PolarHBondContact O-N 2.93Å; I219-I223 HydrophobicContact CG2-CD1 3.94Å; I219-I223 WeakPolarHBondContact O-CG1 3.22Å; I219-I223 PolarHBondContact O-N 3.41Å
220E98.1Very high97.3Very high86 Ų8626.1 Ų26.140%0.40213%0.132SC..Hα-helixtrans-59.4-42.2174.9-172.9179.2162.500110.9D216 I222 I223 K224D216-E220 WeakPolarHBondContact O-CB 3.15Å; D216-E220 PolarHBondContact O-N 3Å; E220-I222 PolarHBondContact O-N 3.06Å; E220-I223 PolarHBondContact O-N 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.14Å; E220-K224 PolarHBondContact O-N 2.68Å
221A98.7Very high97.4Very high3 Ų330.3 Ų30.33%0.02517%0.167CC..Hα-helixtrans-60-42.1177.800000113D217 A218 I219 L225 L241 W292 F294D217-A221 WeakPolarHBondContact O-CB 3.31Å; D217-A221 PolarHBondContact O-N 3.5Å; A218-A221 PolarHBondContact O-N 2.99Å; I219-A221 VanDerWaalsContact C-N 3.29Å; I219-A221 PolarHBondContact O-N 2.9Å; A221-L225 VanDerWaalsContact O-CB 3.27Å; A221-L225 WeakPolarHBondContact O-CB 3.34Å; A221-L225 PolarHBondContact O-N 3.15Å; A221-L241 HydrophobicContact CB-CD1 3.79Å; A221-W292 HydrophobicContact CB-CH2 3.95Å; A221-W292 HydrophobicContact CB-CZ3 4.3Å; A221-F294 HydrophobicContact CB-CD2 4Å; A221-F294 HydrophobicContact CB-CE2 3.94Å
222I98.6Very high97.4Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-60.6-52176.6-64.2170.9000110.1I13 L17 M73 M75 F113 F169 A218 I219 E220 L225 M226I13-I222 HydrophobicContact CG2-CD1 3.79Å; L17-I222 HydrophobicContact CD1-CB 4.28Å; L17-I222 HydrophobicContact CD1-CD1 4.24Å; L17-I222 HydrophobicContact CD1-CG2 4.03Å; L17-I222 HydrophobicContact CD2-CD1 4.16Å; L17-I222 HydrophobicContact CD2-CG2 4.35Å; M73-I222 HydrophobicContact SD-CG2 4.16Å; M75-I222 HydrophobicContact CE-CD1 4.24Å; F113-I222 HydrophobicContact CD1-CG2 3.94Å; F113-I222 HydrophobicContact CD2-CG2 4.39Å; F113-I222 HydrophobicContact CE1-CB 4.49Å; F113-I222 HydrophobicContact CE1-CD1 3.96Å; F113-I222 HydrophobicContact CE1-CG1 3.87Å; F113-I222 HydrophobicContact CE1-CG2 3.86Å; F113-I222 HydrophobicContact CE2-CG1 4.34Å; F113-I222 HydrophobicContact CE2-CG2 4.32Å; F113-I222 HydrophobicContact CG-CG2 4.21Å; F113-I222 HydrophobicContact CZ-CB 4.34Å; F113-I222 HydrophobicContact CZ-CD1 4.17Å; F113-I222 HydrophobicContact CZ-CG1 3.63Å; F113-I222 HydrophobicContact CZ-CG2 4.06Å; F169-I222 HydrophobicContact CE2-CD1 4.12Å; F169-I222 HydrophobicContact CE2-CG1 4.34Å; F169-I222 HydrophobicContact CZ-CD1 3.77Å; F169-I222 HydrophobicContact CZ-CG1 3.68Å; A218-I222 WeakPolarHBondContact O-CG1 3.38Å; A218-I222 PolarHBondContact O-N 2.8Å; A218-I222 VanDerWaalsContact O-N 3.14Å; I219-I222 HydrophobicContact CD1-CD1 4.49Å; I219-I222 PolarHBondContact O-N 2.93Å; E220-I222 PolarHBondContact O-N 3.06Å; I222-L225 PolarHBondContact O-N 3.4Å; I222-M226 WeakPolarHBondContact O-CB 3.42Å; I222-M226 WeakPolarHBondContact O-CG 3.12Å; I222-M226 PolarHBondContact O-N 3.08Å
223I98.3Very high97.5Very high13 Ų1336.3 Ų36.37%0.06719%0.193CC..Hα-helixtrans-63.2-47.4-175.8-67.1165.8000109.8L17 K20 I24 Y25 I219 E220 L225 M226 E227L17-I223 HydrophobicContact CD1-CD1 4.48Å; L17-I223 HydrophobicContact CD1-CG1 4.25Å; K20-I223 HydrophobicContact CB-CD1 4.1Å; K20-I223 HydrophobicContact CG-CD1 3.55Å; I24-I223 HydrophobicContact CD1-CD1 3.91Å; I24-I223 HydrophobicContact CD1-CG2 4.3Å; Y25-I223 WeakPolarHBondContact OH-CG2 3.33Å; I219-I223 HydrophobicContact CG2-CD1 3.94Å; I219-I223 WeakPolarHBondContact O-CG1 3.22Å; I219-I223 PolarHBondContact O-N 3.41Å; E220-I223 PolarHBondContact O-N 3.3Å; I223-L225 PolarHBondContact O-N 2.92Å; I223-M226 PolarHBondContact O-N 2.7Å; I223-M226 VanDerWaalsContact O-N 3.14Å; I223-E227 WeakPolarHBondContact O-CG 3.45Å; I223-E227 PolarHBondContact O-N 3.44Å
224K98.2Very high97.5Very high71 Ų7144.4 Ų44.431%0.30923%0.231SC..Hα-helixtrans-61.1-43.6178.7-168.8174.5-163.1163.30112.3E220 M226 E227 A228 W292 G293E220-K224 WeakPolarHBondContact O-CB 3.14Å; E220-K224 PolarHBondContact O-N 2.68Å; K224-M226 VanDerWaalsContact C-N 3.33Å; K224-M226 PolarHBondContact O-N 2.87Å; K224-E227 PolarHBondContact O-N 3.03Å; K224-A228 PolarHBondContact O-N 3.29Å; K224-W292 HydrophobicContact CB-CE3 4.32Å; K224-W292 HydrophobicContact CB-CZ3 4.25Å; K224-W292 HydrophobicContact CD-CE3 4.13Å; K224-W292 HydrophobicContact CD-CZ3 4.23Å; K224-W292 WeakPolarHBondContact CE-O 3.44Å; K224-W292 HydrophobicContact CG-CE3 4.04Å; K224-W292 HydrophobicContact CG-CZ3 4.35Å; K224-G293 WeakPolarHBondContact CE-O 3.42Å; K224-G293 PolarHBondContact NZ-O 3.08Å
225L98.6Very high97.5Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-63.9-39.7175.5177.160.3000111.2F113 R165 V167 A221 I222 I223 E227 A228 L233 Y239 W292F113-L225 HydrophobicContact CE2-CD2 4.28Å; R165-L225 HydrophobicContact CB-CD2 4.01Å; R165-L225 HydrophobicContact CB-CG 4.06Å; R165-L225 WeakPolarHBondContact CD-O 3.41Å; R165-L225 PolarHBondContact NH1-O 3.25Å; V167-L225 HydrophobicContact CG1-CD2 3.45Å; V167-L225 VanDerWaalsContact CG1-CD2 3.45Å; A221-L225 VanDerWaalsContact O-CB 3.27Å; A221-L225 WeakPolarHBondContact O-CB 3.34Å; A221-L225 PolarHBondContact O-N 3.15Å; I222-L225 PolarHBondContact O-N 3.4Å; I223-L225 PolarHBondContact O-N 2.92Å; L225-E227 VanDerWaalsContact C-N 3.3Å; L225-E227 PolarHBondContact O-N 2.77Å; L225-A228 VanDerWaalsContact O-CB 3.31Å; L225-A228 WeakPolarHBondContact O-CB 3.3Å; L225-A228 PolarHBondContact O-N 3.05Å; L225-L233 HydrophobicContact CD1-CD1 4.3Å; L225-L233 HydrophobicContact CD1-CD2 3.91Å; L225-Y239 HydrophobicContact CD1-CD2 4.12Å; L225-Y239 HydrophobicContact CD1-CE2 3.87Å; L225-Y239 HydrophobicContact CD2-CD2 4.12Å; L225-W292 HydrophobicContact CB-CD2 4.36Å; L225-W292 HydrophobicContact CB-CE3 4.36Å; L225-W292 HydrophobicContact CB-CZ3 4.44Å; L225-W292 HydrophobicContact CD1-CD2 4.13Å; L225-W292 HydrophobicContact CD1-CG 3.95Å
226M98.2Very high97.5Very high4 Ų446.4 Ų46.42%0.0224%0.242CC..Hα-helixtrans-70.7-24.6178.5-77.1-67.9-73.800113.9M1 M73 H111 F113 R165 I222 I223 K224M1-M226 HydrophobicContact CE-CB 3.43Å; M1-M226 VanDerWaalsContact CE-CB 3.43Å; M1-M226 HydrophobicContact CE-CG 4.36Å; M1-M226 HydrophobicContact CG-CE 4.34Å; M1-M226 HydrophobicContact SD-CB 3.57Å; M1-M226 VanDerWaalsContact SD-CB 3.57Å; M1-M226 HydrophobicContact SD-CE 3.44Å; M1-M226 WeakPolarHBondContact SD-CE 3.44Å; M1-M226 HydrophobicContact SD-CG 4.11Å; M73-M226 HydrophobicContact CE-CB 4.47Å; M73-M226 HydrophobicContact CE-CE 4.35Å; M73-M226 HydrophobicContact CE-CG 4.13Å; H111-M226 HydrophobicContact CB-CE 3.74Å; F113-M226 HydrophobicContact CB-CE 4.39Å; F113-M226 HydrophobicContact CB-CG 4.14Å; F113-M226 HydrophobicContact CB-SD 3.65Å; R165-M226 PolarHBondContact NH1-O 3.22Å; I222-M226 WeakPolarHBondContact O-CB 3.42Å; I222-M226 WeakPolarHBondContact O-CG 3.12Å; I222-M226 PolarHBondContact O-N 3.08Å; I223-M226 PolarHBondContact O-N 2.7Å; I223-M226 VanDerWaalsContact O-N 3.14Å; K224-M226 VanDerWaalsContact C-N 3.33Å; K224-M226 PolarHBondContact O-N 2.87Å
227E97.2Very high97.6Very high111 Ų11143.9 Ų43.952%0.51923%0.229SC..Hα-helixtrans-92.3-7173.6-65.9-165.2152.200113.8M1 Y25 I223 K224 L225M1-E227 HydrophobicContact CE-CG 4.18Å; Y25-E227 WeakPolarHBondContact CE1-OE1 3.41Å; Y25-E227 VanDerWaalsContact OH-CD 3.23Å; Y25-E227 PolarHBondContact OH-OE1 3Å; I223-E227 WeakPolarHBondContact O-CG 3.45Å; I223-E227 PolarHBondContact O-N 3.44Å; K224-E227 PolarHBondContact O-N 3.03Å; L225-E227 VanDerWaalsContact C-N 3.3Å; L225-E227 PolarHBondContact O-N 2.77Å
228A97.9Very high97.6Very high17 Ų1743.7 Ų43.714%0.1423%0.228CC..SBendtrans-60.1145.3-178.500000111.9R165 K224 L225 D230 L233 W292R165-A228 PolarHBondContact NH1-O 3.44Å; R165-A228 PolarHBondContact NH2-O 3.43Å; K224-A228 PolarHBondContact O-N 3.29Å; L225-A228 VanDerWaalsContact O-CB 3.31Å; L225-A228 WeakPolarHBondContact O-CB 3.3Å; L225-A228 PolarHBondContact O-N 3.05Å; A228-D230 PolarHBondContact O-N 3.48Å; A228-L233 HydrophobicContact CB-CD1 4.41Å; A228-L233 HydrophobicContact CB-CD2 3.99Å; A228-L233 HydrophobicContact CB-CG 4.47Å; A228-W292 HydrophobicContact CB-CB 3.67Å
229D96.6Very high97.6Very high91 Ų9143.7 Ų43.749%0.48723%0.228SC..  trans-61.6117.8172.6-179.93.4000109.7A231 K232D229-A231 PolarHBondContact O-N 3.32Å; D229-A231 VanDerWaalsContact O-N 3.12Å; D229-A231 PolarHBondContact OD1-N 2.8Å; D229-A231 VanDerWaalsContact OD1-N 3.16Å; D229-K232 HydrophobicContact CB-CD 4.18Å; D229-K232 HydrophobicContact CB-CG 4.18Å; D229-K232 PolarHBondContact O-N 3.32Å
230D94.7Very high97.6Very high71 Ų7143.3 Ų43.338%0.3823%0.226SC..G310 helixtrans-54.2-33.6-177.5-175.361.4000112.5A228 K232 L233 R236A228-D230 PolarHBondContact O-N 3.48Å; D230-K232 PolarHBondContact O-N 2.85Å; D230-L233 PolarHBondContact O-N 2.93Å; D230-R236 PolarHBondContact O-NH2 3.2Å; D230-R236 IonicContact OD1-CZ 2.78Å; D230-R236 IonicContact OD1-NH1 2.95Å; D230-R236 PolarHBondContact OD1-NH1 3.36Å; D230-R236 IonicContact OD1-NH2 2.91Å; D230-R236 PolarHBondContact OD1-NH2 2.89Å; D230-R236 IonicContact OD2-NH2 3.39Å
231A96.1Very high97.7Very high88 Ų8839.2 Ų39.273%0.72721%0.207SC*.G310 helixtrans-67.4-15.5-179.500000113.9D229D229-A231 PolarHBondContact O-N 3.32Å; D229-A231 VanDerWaalsContact O-N 3.12Å; D229-A231 PolarHBondContact OD1-N 2.8Å; D229-A231 VanDerWaalsContact OD1-N 3.16Å
232K97.3Very high97.6Very high122 Ų12239.5 Ų39.553%0.5321%0.208SC..G310 helixtrans-96.7-10.9178.5-59-177.2-177.3177.20113.4D229 D230 E234 E291D229-K232 HydrophobicContact CB-CD 4.18Å; D229-K232 HydrophobicContact CB-CG 4.18Å; D229-K232 PolarHBondContact O-N 3.32Å; D230-K232 PolarHBondContact O-N 2.85Å; K232-E234 PolarHBondContact O-N 2.83Å; K232-E234 VanDerWaalsContact O-N 3.16Å; K232-E291 VanDerWaalsContact CB-O 3.28Å; K232-E291 WeakPolarHBondContact CB-O 3.25Å; K232-E291 WeakPolarHBondContact O-CB 3.41Å
233L97.8Very high97.6Very high9 Ų940.9 Ų40.95%0.04722%0.22CC..  trans-87.184.3-174.9-58.6-176.4000110.7R165 L225 A228 D230 R236 Y239 W292R165-L233 HydrophobicContact CG-CD1 4.28Å; L225-L233 HydrophobicContact CD1-CD1 4.3Å; L225-L233 HydrophobicContact CD1-CD2 3.91Å; A228-L233 HydrophobicContact CB-CD1 4.41Å; A228-L233 HydrophobicContact CB-CD2 3.99Å; A228-L233 HydrophobicContact CB-CG 4.47Å; D230-L233 PolarHBondContact O-N 2.93Å; L233-R236 HydrophobicContact CB-CB 4.49Å; L233-Y239 WeakPolarHBondContact CA-OH 3.27Å; L233-Y239 HydrophobicContact CD2-CE2 4.39Å; L233-Y239 WeakPolarHBondContact CD2-OH 3.47Å; L233-W292 HydrophobicContact CD2-CB 4.06Å; L233-W292 HydrophobicContact CD2-CG 4.31Å
234E96.8Very high97.5Very high170 Ų17041.4 Ų41.479%0.79422%0.222SC*.SBendtrans-74-49174.7-62.4-174.3-16900111.3K232 E291K232-E234 PolarHBondContact O-N 2.83Å; K232-E234 VanDerWaalsContact O-N 3.16Å; E234-E291 WeakPolarHBondContact CA-OE2 3.48Å; E234-E291 PolarHBondContact N-OE2 3.49Å
235T97.2Very high97.5Very high33 Ų3339.6 Ų39.620%0.20222%0.219CC..SBendtrans-73-45.8-179.9-63.10000111Q132 N237 Y239 E291Q132-T235 HydrophobicContact CG-CG2 3.82Å; T235-N237 WeakPolarHBondContact CG2-O 3.35Å; T235-N237 PolarHBondContact O-N 2.79Å; T235-Y239 VanDerWaalsContact CB-CE1 3.41Å; T235-Y239 HydrophobicContact CG2-CD1 3.98Å; T235-Y239 HydrophobicContact CG2-CE1 3.9Å; T235-Y239 HydrophobicContact CG2-CG 4.34Å; T235-E291 WeakPolarHBondContact CB-OE1 3.47Å; T235-E291 PolarHBondContact N-OE2 2.86Å; T235-E291 PolarHBondContact OG1-OE1 3.31Å
236R96.2Very high97.4Very high9 Ų939.7 Ų39.73%0.03422%0.219CC..  trans63-48.3177.7-175.5172.8-62.3-88.8-2.2116.5F157 D163 T164 R165 S166 D230 L233 Y239F157-R236 VanDerWaalsContact CD1-CD 3.47Å; F157-R236 VanDerWaalsContact CE1-NE 3.32Å; F157-R236 VanDerWaalsContact CE2-NE 3.32Å; D163-R236 IonicContact OD1-NH1 3.87Å; D163-R236 PolarHBondContact OD1-NH1 3.01Å; T164-R236 WeakPolarHBondContact O-CD 3.47Å; T164-R236 WeakPolarHBondContact O-CG 3.33Å; R165-R236 WeakPolarHBondContact CA-O 3.46Å; S166-R236 PolarHBondContact N-O 2.72Å; D230-R236 PolarHBondContact O-NH2 3.2Å; D230-R236 IonicContact OD1-CZ 2.78Å; D230-R236 IonicContact OD1-NH1 2.95Å; D230-R236 PolarHBondContact OD1-NH1 3.36Å; D230-R236 IonicContact OD1-NH2 2.91Å; D230-R236 PolarHBondContact OD1-NH2 2.89Å; D230-R236 IonicContact OD2-NH2 3.39Å; L233-R236 HydrophobicContact CB-CB 4.49Å; R236-Y239 VanDerWaalsContact C-CE2 3.48Å; R236-Y239 VanDerWaalsContact CA-CE2 3.47Å; R236-Y239 VanDerWaalsContact N-CZ 3.3Å; R236-Y239 PolarHBondContact N-OH 3.06Å; R236-Y239 WeakPolarHBondContact O-CE2 3.45Å
237N98.3Very high97.4Very high12 Ų1240.1 Ų40.16%0.06422%0.222CC..SBendtrans-122143.3-176.6-74.7-66.9000111.9C153 Q154 T164 S166 T235C153-N237 VanDerWaalsContact CB-OD1 3.3Å; C153-N237 WeakPolarHBondContact CB-OD1 3.44Å; Q154-N237 PolarHBondContact N-ND2 3.1Å; Q154-N237 PolarHBondContact OE1-ND2 3.13Å; T164-N237 PolarHBondContact OG1-ND2 3.32Å; S166-N237 WeakPolarHBondContact OG-CA 3.4Å; S166-N237 VanDerWaalsContact OG-CB 3.28Å; S166-N237 WeakPolarHBondContact OG-CB 3.23Å; S166-N237 PolarHBondContact OG-OD1 3.23Å; T235-N237 WeakPolarHBondContact CG2-O 3.35Å; T235-N237 PolarHBondContact O-N 2.79Å
238G98.2Very high97.4Very high0 Ų034.8 Ų34.80%020%0.197CC..SBendtrans71.427.6177.200000114.4Q132 S166 R168 N240Q132-G238 PolarHBondContact NE2-O 2.98Å; S166-G238 PolarHBondContact O-N 3.25Å; S166-G238 PolarHBondContact OG-N 2.83Å; R168-G238 PolarHBondContact NE-O 3.32Å; R168-G238 PolarHBondContact NH1-O 3.16Å; R168-G238 VanDerWaalsContact NH1-O 3.11Å; G238-N240 PolarHBondContact O-N 3.45Å
239Y98.7Very high97.4Very high0 Ų036.3 Ų36.30%020%0.201CC..EExtended strand (participates in β ladder)trans-54.3125.2177.7-79-77.1000112.1S166 V167 R168 L225 L233 T235 R236 L241 C287 S288 E291 W292S166-Y239 WeakPolarHBondContact O-CD2 3.18Å; S166-Y239 PolarHBondContact O-N 3.32Å; V167-Y239 CarbonylContact C-O 3.45Å; V167-Y239 VanDerWaalsContact CA-O 3.28Å; V167-Y239 WeakPolarHBondContact CA-O 3.47Å; R168-Y239 PolarHBondContact N-O 2.57Å; L225-Y239 HydrophobicContact CD1-CD2 4.12Å; L225-Y239 HydrophobicContact CD1-CE2 3.87Å; L225-Y239 HydrophobicContact CD2-CD2 4.12Å; L233-Y239 WeakPolarHBondContact CA-OH 3.27Å; L233-Y239 HydrophobicContact CD2-CE2 4.39Å; L233-Y239 WeakPolarHBondContact CD2-OH 3.47Å; T235-Y239 VanDerWaalsContact CB-CE1 3.41Å; T235-Y239 HydrophobicContact CG2-CD1 3.98Å; T235-Y239 HydrophobicContact CG2-CE1 3.9Å; T235-Y239 HydrophobicContact CG2-CG 4.34Å; R236-Y239 VanDerWaalsContact C-CE2 3.48Å; R236-Y239 VanDerWaalsContact CA-CE2 3.47Å; R236-Y239 VanDerWaalsContact N-CZ 3.3Å; R236-Y239 PolarHBondContact N-OH 3.06Å; R236-Y239 WeakPolarHBondContact O-CE2 3.45Å; Y239-L241 PolarHBondContact O-N 2.89Å; Y239-C287 HydrophobicContact CD1-CB 4.38Å; Y239-C287 HydrophobicContact CE1-CB 4.48Å; Y239-S288 WeakPolarHBondContact CB-OG 3.33Å; Y239-E291 HydrophobicContact CE1-CB 4.19Å; Y239-E291 HydrophobicContact CE1-CG 4.41Å; Y239-E291 WeakPolarHBondContact CE1-OE2 3.22Å; Y239-E291 PolarHBondContact OH-OE2 3.43Å; Y239-W292 AromaticContact CD1-NE1 3.45Å; Y239-W292 AromaticContact CD2-NE1 3.75Å; Y239-W292 AromaticContact CE1-CD1 3.79Å; Y239-W292 AromaticContact CE1-NE1 3.56Å; Y239-W292 AromaticContact CE2-NE1 3.86Å; Y239-W292 AromaticContact CG-NE1 3.55Å; Y239-W292 AromaticContact CZ-CD1 3.79Å; Y239-W292 AromaticContact CZ-NE1 3.79Å
240N98.7Very high97.5Very high0 Ų035.1 Ų35.10%019%0.193CC..EExtended strand (participates in β ladder)trans-66.6124.2175.4-82.32000110.7T130 P131 Q132 R168 G238 I283 D284 S288T130-N240 PolarHBondContact O-ND2 3.16Å; T130-N240 VanDerWaalsContact O-ND2 3.16Å; P131-N240 PolarHBondContact O-ND2 2.57Å; Q132-N240 PolarHBondContact N-ND2 2.56Å; R168-N240 WeakPolarHBondContact CD-OD1 3.48Å; R168-N240 PolarHBondContact NH1-OD1 2.67Å; G238-N240 PolarHBondContact O-N 3.45Å; N240-I283 HydrophobicContact CB-CG2 3.41Å; N240-I283 VanDerWaalsContact CB-CG2 3.41Å; N240-I283 WeakPolarHBondContact ND2-CG2 3.43Å; N240-D284 WeakPolarHBondContact CB-O 3.42Å; N240-D284 PolarHBondContact ND2-O 3.44Å; N240-S288 PolarHBondContact O-OG 2.78Å
241L98.5Very high97.7Very high0 Ų031.7 Ų31.70%018%0.175CC..  trans-118.4141172.5-61.1-172.3000110.7V167 R168 F169 P170 M213 A221 Y239 W292 F294V167-L241 HydrophobicContact CB-CD1 3.65Å; V167-L241 HydrophobicContact CB-CG 3.93Å; V167-L241 HydrophobicContact CG1-CD1 3.84Å; V167-L241 HydrophobicContact CG1-CG 4.23Å; V167-L241 HydrophobicContact CG2-CD1 3.81Å; R168-L241 PolarHBondContact O-N 2.92Å; F169-L241 HydrophobicContact CD1-CD1 4.08Å; F169-L241 HydrophobicContact CE1-CD1 3.79Å; P170-L241 WeakPolarHBondContact CD-O 3.48Å; M213-L241 HydrophobicContact CE-CB 3.87Å; M213-L241 HydrophobicContact CE-CD1 4.04Å; A221-L241 HydrophobicContact CB-CD1 3.79Å; Y239-L241 PolarHBondContact O-N 2.89Å; L241-W292 HydrophobicContact CD2-CH2 3.75Å; L241-W292 HydrophobicContact CD2-CZ2 3.66Å; L241-F294 HydrophobicContact CB-CE1 4.39Å; L241-F294 HydrophobicContact CB-CZ 4.15Å; L241-F294 HydrophobicContact CD1-CE2 4.4Å; L241-F294 HydrophobicContact CD2-CB 4.47Å; L241-F294 HydrophobicContact CD2-CD1 3.71Å; L241-F294 HydrophobicContact CD2-CD2 3.71Å; L241-F294 HydrophobicContact CD2-CE1 3.79Å; L241-F294 HydrophobicContact CD2-CE2 3.8Å; L241-F294 HydrophobicContact CD2-CG 3.68Å; L241-F294 HydrophobicContact CD2-CZ 3.83Å; L241-F294 HydrophobicContact CG-CZ 4.45Å
242S97.8Very high97.8Very high8 Ų829.5 Ų29.56%0.05615%0.149CC..  trans-162.6143.5170.11790000109.1D211 M244 F294D211-S242 WeakPolarHBondContact CB-OG 3.5Å; D211-S242 VanDerWaalsContact CG-OG 3.32Å; D211-S242 VanDerWaalsContact OD1-CB 3.23Å; D211-S242 WeakPolarHBondContact OD1-CB 3.43Å; D211-S242 PolarHBondContact OD1-OG 2.99Å; S242-M244 PolarHBondContact OG-N 3.11Å; S242-M244 PolarHBondContact OG-O 3.06Å; S242-F294 WeakPolarHBondContact O-CE1 3.28Å
243A97.9Very high97.8Very high30 Ų3029.7 Ų29.725%0.24815%0.152CC..SBendtrans-100.3-39.3168.400000111.3M212 M213 P296M212-A243 PolarHBondContact O-N 3.43Å; M212-A243 VanDerWaalsContact O-N 3.11Å; M213-A243 HydrophobicContact CB-CB 4.11Å; M213-A243 HydrophobicContact CG-CB 4.07Å; A243-P296 HydrophobicContact CB-CB 3.69Å; A243-P296 HydrophobicContact CB-CG 4Å
244M97Very high97.8Very high23 Ų2329.9 Ų29.911%0.11315%0.154CC..EExtended strand (participates in β ladder)trans-157.8157-171.956.1-165.7136.100110.5D211 M212 S242 F246 L300 M303D211-M244 CarbonylContact C-O 3.55Å; D211-M244 WeakPolarHBondContact CA-O 3.44Å; M212-M244 HydrophobicContact CB-CG 4.24Å; M212-M244 PolarHBondContact N-O 2.89Å; M212-M244 PolarHBondContact O-N 3.2Å; S242-M244 PolarHBondContact OG-N 3.11Å; S242-M244 PolarHBondContact OG-O 3.06Å; M244-F246 HydrophobicContact CG-CD1 3.87Å; M244-F246 HydrophobicContact CG-CE1 3.89Å; M244-F246 HydrophobicContact SD-CD1 4.04Å; M244-F246 HydrophobicContact SD-CE1 3.82Å; M244-L300 VanDerWaalsContact SD-CA 3.56Å; M244-L300 HydrophobicContact SD-CB 3.91Å; M244-L300 PolarHBondContact SD-N 3.04Å; M244-M303 HydrophobicContact CE-CB 4.29Å; M244-M303 HydrophobicContact CE-CE 4.04Å; M244-M303 HydrophobicContact CE-CG 4.46Å; M244-M303 HydrophobicContact CE-SD 3.47Å; M244-M303 WeakPolarHBondContact CE-SD 3.47Å; M244-M303 HydrophobicContact SD-CE 4.39Å
245S97.4Very high97.9Very high34 Ų3421.8 Ų21.824%0.23812%0.117CC..EExtended strand (participates in β ladder)trans-126.1132168.71690000109.1M210 D281M210-S245 WeakPolarHBondContact O-CA 3.4Å; S245-D281 WeakPolarHBondContact CB-O 3.27Å; S245-D281 PolarHBondContact OG-O 2.74Å
246F97.6Very high98Very high1 Ų123.3 Ų23.30%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-150.2162.8-17857.1-111.1000111.6I173 Y186 A187 M210 M212 M244 M250 V251 L300 M303I173-F246 HydrophobicContact CD1-CE1 4.27Å; I173-F246 HydrophobicContact CD1-CZ 3.73Å; Y186-F246 WeakPolarHBondContact OH-CE2 3.47Å; A187-F246 HydrophobicContact CB-CE2 4.07Å; A187-F246 HydrophobicContact CB-CZ 4.12Å; M210-F246 PolarHBondContact N-O 2.66Å; M210-F246 PolarHBondContact O-N 2.74Å; M212-F246 HydrophobicContact CB-CD1 4.38Å; M212-F246 HydrophobicContact CB-CE1 3.58Å; M212-F246 HydrophobicContact CB-CZ 3.78Å; M212-F246 HydrophobicContact CE-CE2 4.43Å; M212-F246 HydrophobicContact CG-CD1 4.45Å; M212-F246 HydrophobicContact CG-CE1 3.72Å; M212-F246 HydrophobicContact CG-CE2 3.93Å; M212-F246 HydrophobicContact CG-CZ 3.45Å; M212-F246 VanDerWaalsContact CG-CZ 3.45Å; M212-F246 HydrophobicContact SD-CZ 4.37Å; M244-F246 HydrophobicContact CG-CD1 3.87Å; M244-F246 HydrophobicContact CG-CE1 3.89Å; M244-F246 HydrophobicContact SD-CD1 4.04Å; M244-F246 HydrophobicContact SD-CE1 3.82Å; F246-M250 HydrophobicContact CB-CB 4.06Å; F246-M250 HydrophobicContact CB-CE 3.84Å; F246-M250 HydrophobicContact CB-SD 3.87Å; F246-V251 HydrophobicContact CD2-CG2 3.32Å; F246-V251 HydrophobicContact CE2-CG2 3.25Å; F246-V251 HydrophobicContact CG-CG2 4.12Å; F246-V251 HydrophobicContact CZ-CG2 3.97Å; F246-L300 HydrophobicContact CB-CD2 4.36Å; F246-L300 HydrophobicContact CD1-CD1 4.02Å; F246-L300 HydrophobicContact CD1-CD2 4.46Å; F246-L300 HydrophobicContact CE1-CD1 3.98Å; F246-L300 HydrophobicContact CZ-CD1 4.48Å; F246-M303 HydrophobicContact CE1-CE 4.26Å; F246-M303 HydrophobicContact CZ-CE 4.43Å
247D97.3Very high98.1Very high13 Ų1329.7 Ų29.77%0.0715%0.152CC..  trans-105.9173.7170.390.6-37.9000110.9G207 T208 Y209 E249 M250 V251G207-D247 PolarHBondContact N-OD2 3.49Å; T208-D247 WeakPolarHBondContact O-CA 3.42Å; Y209-D247 HydrophobicContact CE1-CB 4.43Å; D247-E249 VanDerWaalsContact C-N 3.31Å; D247-E249 PolarHBondContact O-N 2.61Å; D247-E249 PolarHBondContact OD1-N 3.28Å; D247-M250 PolarHBondContact O-N 3.09Å; D247-M250 VanDerWaalsContact OD1-CG 3.31Å; D247-M250 WeakPolarHBondContact OD1-CG 3.42Å; D247-M250 PolarHBondContact OD1-N 3.11Å; D247-V251 PolarHBondContact O-N 2.96Å
248P97.7Very high98.1Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-59.4-33.7179-25.634.3000115.2Y186 I204 V251 K252 L264 Y266Y186-P248 HydrophobicContact CD2-CB 4.43Å; Y186-P248 HydrophobicContact CD2-CG 4.17Å; Y186-P248 HydrophobicContact CE2-CB 4.11Å; Y186-P248 HydrophobicContact CE2-CG 3.74Å; I204-P248 HydrophobicContact CB-CG 4.42Å; I204-P248 HydrophobicContact CG2-CG 4.11Å; P248-V251 PolarHBondContact O-N 3.2Å; P248-K252 PolarHBondContact O-N 2.78Å; P248-K252 VanDerWaalsContact O-N 3.16Å; P248-L264 HydrophobicContact CB-CD2 4.09Å; P248-Y266 HydrophobicContact CB-CE1 4.17Å; P248-Y266 HydrophobicContact CG-CE1 4.45Å
249E98.2Very high98Very high48 Ų4836.6 Ų36.622%0.22418%0.178CC..Hα-helixtrans-69.2-39.1-179.2-69.6-72.417600111.2K206 D247 V251 K252 E253 Y266K206-E249 HydrophobicContact CB-CG 4.04Å; D247-E249 VanDerWaalsContact C-N 3.31Å; D247-E249 PolarHBondContact O-N 2.61Å; D247-E249 PolarHBondContact OD1-N 3.28Å; E249-V251 VanDerWaalsContact C-N 3.3Å; E249-V251 PolarHBondContact O-N 3.47Å; E249-K252 WeakPolarHBondContact O-CB 3.48Å; E249-K252 PolarHBondContact O-N 2.87Å; E249-K252 WeakPolarHBondContact OE2-CD 3.44Å; E249-K252 IonicContact OE2-NZ 2.81Å; E249-K252 PolarHBondContact OE2-NZ 3.05Å; E249-E253 WeakPolarHBondContact O-CG 3.48Å; E249-E253 PolarHBondContact O-N 3.09Å; E249-Y266 WeakPolarHBondContact CG-OH 3.29Å; E249-Y266 PolarHBondContact OE1-OH 2.86Å
250M98.4Very high98Very high66 Ų6641.2 Ų41.233%0.32521%0.208SC..Hα-helixtrans-59.3-39.6174.1-72175.165.800112.6Y209 F246 D247 E253 A254 L300Y209-M250 HydrophobicContact CE1-SD 3.94Å; F246-M250 HydrophobicContact CB-CB 4.06Å; F246-M250 HydrophobicContact CB-CE 3.84Å; F246-M250 HydrophobicContact CB-SD 3.87Å; D247-M250 PolarHBondContact O-N 3.09Å; D247-M250 VanDerWaalsContact OD1-CG 3.31Å; D247-M250 WeakPolarHBondContact OD1-CG 3.42Å; D247-M250 PolarHBondContact OD1-N 3.11Å; M250-E253 PolarHBondContact O-N 3.09Å; M250-A254 PolarHBondContact O-N 2.84Å; M250-A254 VanDerWaalsContact O-N 3.09Å; M250-L300 HydrophobicContact CB-CD2 4.11Å; M250-L300 HydrophobicContact CE-CD2 4.35Å
251V98.1Very high97.9Very high0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-67-41.8177.9-174.40000110.9I190 Y191 F246 D247 P248 E249 A254 I255 L300I190-V251 HydrophobicContact CD1-CB 4.19Å; I190-V251 HydrophobicContact CD1-CG1 3.98Å; I190-V251 HydrophobicContact CG2-CG1 3.67Å; Y191-V251 HydrophobicContact CE1-CG1 4.3Å; Y191-V251 HydrophobicContact CE2-CG1 4.1Å; F246-V251 HydrophobicContact CD2-CG2 3.32Å; F246-V251 HydrophobicContact CE2-CG2 3.25Å; F246-V251 HydrophobicContact CG-CG2 4.12Å; F246-V251 HydrophobicContact CZ-CG2 3.97Å; D247-V251 PolarHBondContact O-N 2.96Å; P248-V251 PolarHBondContact O-N 3.2Å; E249-V251 VanDerWaalsContact C-N 3.3Å; E249-V251 PolarHBondContact O-N 3.47Å; V251-A254 PolarHBondContact O-N 2.86Å; V251-I255 HydrophobicContact CG1-CD1 3.95Å; V251-I255 HydrophobicContact CG1-CG1 4.49Å; V251-I255 WeakPolarHBondContact O-CG1 3.47Å; V251-I255 PolarHBondContact O-N 3.31Å; V251-L300 HydrophobicContact CG2-CD1 4.36Å
252K98.3Very high97.9Very high42 Ų4248.6 Ų48.618%0.18325%0.247CC..Hα-helixtrans-59.6-46.4174.3167.1-150.6179.5175.70111.6P248 E249 A254 I255 Q256 F262 L264P248-K252 PolarHBondContact O-N 2.78Å; P248-K252 VanDerWaalsContact O-N 3.16Å; E249-K252 WeakPolarHBondContact O-CB 3.48Å; E249-K252 PolarHBondContact O-N 2.87Å; E249-K252 WeakPolarHBondContact OE2-CD 3.44Å; E249-K252 IonicContact OE2-NZ 2.81Å; E249-K252 PolarHBondContact OE2-NZ 3.05Å; K252-A254 VanDerWaalsContact C-N 3.31Å; K252-A254 PolarHBondContact O-N 2.87Å; K252-I255 PolarHBondContact O-N 3.37Å; K252-Q256 HydrophobicContact CG-CG 4.43Å; K252-Q256 WeakPolarHBondContact O-CB 3.31Å; K252-Q256 WeakPolarHBondContact O-CG 3.44Å; K252-Q256 PolarHBondContact O-N 3.28Å; K252-F262 HydrophobicContact CB-CD1 4.4Å; K252-F262 HydrophobicContact CB-CE1 3.96Å; K252-F262 HydrophobicContact CG-CD1 3.99Å; K252-F262 HydrophobicContact CG-CE1 3.93Å; K252-L264 HydrophobicContact CB-CB 4.27Å; K252-L264 HydrophobicContact CB-CD2 3.92Å; K252-L264 HydrophobicContact CD-CB 3.78Å; K252-L264 HydrophobicContact CD-CD2 4.1Å; K252-L264 HydrophobicContact CG-CB 4.03Å; K252-L264 HydrophobicContact CG-CD2 4.47Å
253E98.4Very high98Very high126 Ų12651.6 Ų51.659%0.58927%0.266SS*.Hα-helixtrans-57.6-45.2177.1-72.7178.8178.500111.2E249 M250 I255 Q256 E257E249-E253 WeakPolarHBondContact O-CG 3.48Å; E249-E253 PolarHBondContact O-N 3.09Å; M250-E253 PolarHBondContact O-N 3.09Å; E253-I255 PolarHBondContact O-N 3.4Å; E253-Q256 PolarHBondContact O-N 3Å; E253-E257 PolarHBondContact O-N 2.91Å
254A98.4Very high98Very high12 Ų1251.2 Ų51.210%0.09926%0.259CS..Hα-helixtrans-63-39.9176.800000112.8M250 V251 K252 Q256 E257 L300 T304M250-A254 PolarHBondContact O-N 2.84Å; M250-A254 VanDerWaalsContact O-N 3.09Å; V251-A254 PolarHBondContact O-N 2.86Å; K252-A254 VanDerWaalsContact C-N 3.31Å; K252-A254 PolarHBondContact O-N 2.87Å; A254-Q256 VanDerWaalsContact C-N 3.35Å; A254-E257 PolarHBondContact O-N 3.09Å; A254-L300 HydrophobicContact CB-CD2 4.34Å; A254-L300 HydrophobicContact CB-CG 4.11Å; A254-T304 HydrophobicContact CB-CG2 4.06Å
255I98.5Very high98Very high0 Ų053.5 Ų53.50%027%0.272CS..Hα-helixtrans-65.9-38.7175.5-71.3168.3000111.1I190 Y191 A194 V251 K252 E253 E257 Y258 Y259 F262 T304I190-I255 HydrophobicContact CD1-CD1 4.13Å; I190-I255 HydrophobicContact CG1-CD1 3.77Å; I190-I255 HydrophobicContact CG2-CD1 4.25Å; Y191-I255 HydrophobicContact CD1-CD1 3.74Å; Y191-I255 HydrophobicContact CD1-CG1 3.78Å; Y191-I255 HydrophobicContact CE1-CD1 3.8Å; Y191-I255 HydrophobicContact CE1-CG1 3.57Å; Y191-I255 HydrophobicContact CG-CD1 4.42Å; A194-I255 HydrophobicContact CB-CD1 4.18Å; A194-I255 HydrophobicContact CB-CG2 3.67Å; V251-I255 HydrophobicContact CG1-CD1 3.95Å; V251-I255 HydrophobicContact CG1-CG1 4.49Å; V251-I255 WeakPolarHBondContact O-CG1 3.47Å; V251-I255 PolarHBondContact O-N 3.31Å; K252-I255 PolarHBondContact O-N 3.37Å; E253-I255 PolarHBondContact O-N 3.4Å; I255-E257 PolarHBondContact O-N 3.36Å; I255-Y258 PolarHBondContact O-N 3.29Å; I255-Y259 HydrophobicContact CG2-CD2 4.46Å; I255-Y259 PolarHBondContact O-N 2.84Å; I255-F262 HydrophobicContact CB-CD1 4.09Å; I255-F262 HydrophobicContact CB-CE1 4.44Å; I255-F262 HydrophobicContact CD1-CE1 4.18Å; I255-F262 HydrophobicContact CD1-CZ 4.43Å; I255-F262 HydrophobicContact CG2-CB 3.98Å; I255-F262 HydrophobicContact CG2-CD1 3.62Å; I255-F262 HydrophobicContact CG2-CD2 4.32Å; I255-F262 HydrophobicContact CG2-CE1 4.21Å; I255-F262 HydrophobicContact CG2-CG 3.69Å; I255-T304 HydrophobicContact CG1-CG2 4.29Å
256Q98.4Very high98.1Very high65 Ų6554.9 Ų54.930%0.30427%0.272SS..Hα-helixtrans-65.5-17.5-177.7-78.1-178.8-30.400113.8K252 E253 A254 Y258 Y259 P260 F262K252-Q256 HydrophobicContact CG-CG 4.43Å; K252-Q256 WeakPolarHBondContact O-CB 3.31Å; K252-Q256 WeakPolarHBondContact O-CG 3.44Å; K252-Q256 PolarHBondContact O-N 3.28Å; E253-Q256 PolarHBondContact O-N 3Å; A254-Q256 VanDerWaalsContact C-N 3.35Å; Q256-Y258 PolarHBondContact O-N 2.98Å; Q256-Y259 WeakPolarHBondContact CA-O 3.45Å; Q256-P260 WeakPolarHBondContact O-CA 3.47Å; Q256-F262 HydrophobicContact CG-CB 4.23Å; Q256-F262 HydrophobicContact CG-CD1 4.38Å; Q256-F262 PolarHBondContact NE2-O 3.24Å
257E98.1Very high98Very high143 Ų14360.8 Ų60.867%0.66830%0.304SS*.THydrogen-bonded Turntrans-61.9-29169-62.1-167.8165.800112.6E253 A254 I255E253-E257 PolarHBondContact O-N 2.91Å; A254-E257 PolarHBondContact O-N 3.09Å; I255-E257 PolarHBondContact O-N 3.36Å
258Y97.9Very high98Very high102 Ų10262.5 Ų62.540%0.432%0.315SS..THydrogen-bonded Turntrans-106.5-33.5-179.9-61.2-94.6000112.1I255 Q256 P260 T304 K305 L308I255-Y258 PolarHBondContact O-N 3.29Å; Q256-Y258 PolarHBondContact O-N 2.98Å; Y258-P260 WeakPolarHBondContact O-CD 3.19Å; Y258-T304 HydrophobicContact CD2-CG2 4.33Å; Y258-T304 HydrophobicContact CE2-CG2 4.32Å; Y258-K305 HydrophobicContact CE1-CG 4.11Å; Y258-K305 WeakPolarHBondContact OH-CB 3.34Å; Y258-K305 WeakPolarHBondContact OH-CG 3.31Å; Y258-L308 HydrophobicContact CD2-CD1 3.75Å; Y258-L308 HydrophobicContact CG-CD1 3.74Å
259Y97Very high97.8Very high56 Ų5665.1 Ų65.122%0.2233%0.329CS..  trans-124.178.3-178.4-70-96.6000110.7V195 I255 Q256 N261 F262 L308 E312V195-Y259 HydrophobicContact CG2-CE2 4.35Å; I255-Y259 HydrophobicContact CG2-CD2 4.46Å; I255-Y259 PolarHBondContact O-N 2.84Å; Q256-Y259 WeakPolarHBondContact CA-O 3.45Å; Y259-N261 PolarHBondContact O-N 3.01Å; Y259-F262 WeakPolarHBondContact O-CB 3.11Å; Y259-F262 PolarHBondContact O-N 2.91Å; Y259-L308 HydrophobicContact CD2-CD1 4.02Å; Y259-L308 HydrophobicContact CD2-CD2 4.16Å; Y259-L308 HydrophobicContact CE2-CB 4.45Å; Y259-L308 HydrophobicContact CE2-CD1 4.01Å; Y259-L308 HydrophobicContact CE2-CD2 3.84Å; Y259-L308 HydrophobicContact CE2-CG 4.32Å; Y259-E312 WeakPolarHBondContact OH-CG 3.43Å; Y259-E312 PolarHBondContact OH-OE1 3.3Å
260P97.9Very high97.5Very high97 Ų9767.8 Ų67.863%0.6335%0.35SS*.THydrogen-bonded Turntrans-60.4-22.7-170.8-26.735.1000115.5Q256 Y258Q256-P260 WeakPolarHBondContact O-CA 3.47Å; Y258-P260 WeakPolarHBondContact O-CD 3.19Å
261N97.7Very high96.9Very high152 Ų15270.5 Ų70.581%0.81337%0.365SS*.THydrogen-bonded Turntrans-94.52.5178.8-60.6-39.7000113.1Y259 T263Y259-N261 PolarHBondContact O-N 3.01Å; N261-T263 PolarHBondContact O-N 3.2Å
262F98.5Very high96.4Very high3 Ų373.2 Ų73.21%0.01338%0.375CS..  trans-59.5135.2176.3174-109.2000110.2I190 A194 G198 K252 I255 Q256 Y259I190-F262 HydrophobicContact CD1-CE1 4.16Å; I190-F262 HydrophobicContact CD1-CZ 4.04Å; I190-F262 HydrophobicContact CG1-CE1 4.18Å; I190-F262 HydrophobicContact CG1-CZ 3.63Å; A194-F262 HydrophobicContact CB-CD2 3.54Å; A194-F262 HydrophobicContact CB-CE2 3.57Å; A194-F262 HydrophobicContact CB-CG 4.22Å; A194-F262 HydrophobicContact CB-CZ 4.25Å; G198-F262 WeakPolarHBondContact O-CA 3.3Å; K252-F262 HydrophobicContact CB-CD1 4.4Å; K252-F262 HydrophobicContact CB-CE1 3.96Å; K252-F262 HydrophobicContact CG-CD1 3.99Å; K252-F262 HydrophobicContact CG-CE1 3.93Å; I255-F262 HydrophobicContact CB-CD1 4.09Å; I255-F262 HydrophobicContact CB-CE1 4.44Å; I255-F262 HydrophobicContact CD1-CE1 4.18Å; I255-F262 HydrophobicContact CD1-CZ 4.43Å; I255-F262 HydrophobicContact CG2-CB 3.98Å; I255-F262 HydrophobicContact CG2-CD1 3.62Å; I255-F262 HydrophobicContact CG2-CD2 4.32Å; I255-F262 HydrophobicContact CG2-CE1 4.21Å; I255-F262 HydrophobicContact CG2-CG 3.69Å; Q256-F262 HydrophobicContact CG-CB 4.23Å; Q256-F262 HydrophobicContact CG-CD1 4.38Å; Q256-F262 PolarHBondContact NE2-O 3.24Å; Y259-F262 WeakPolarHBondContact O-CB 3.11Å; Y259-F262 PolarHBondContact O-N 2.91Å
263T98.5Very high96.2Very high71 Ų7172.1 Ų72.144%0.43637%0.371SS..EExtended strand (participates in β ladder)trans-123.5146.9-179.853.40000111.4G198 H199 Y200 N261G198-T263 PolarHBondContact O-N 2.88Å; H199-T263 WeakPolarHBondContact CA-O 3.09Å; H199-T263 PolarHBondContact ND1-O 2.84Å; H199-T263 PolarHBondContact ND1-OG1 3.46Å; Y200-T263 PolarHBondContact N-O 3.33Å; N261-T263 PolarHBondContact O-N 3.2Å
264L98.6Very high95.9Very high21 Ų2168 Ų6811%0.1136%0.362CS..EExtended strand (participates in β ladder)trans-125128.2177.6179.263.3000108.8I190 Y200 P248 K252 Y266I190-L264 HydrophobicContact CD1-CD1 4.29Å; Y200-L264 HydrophobicContact CD1-CD1 3.6Å; Y200-L264 HydrophobicContact CE1-CD1 4.42Å; Y200-L264 HydrophobicContact CG-CD1 4.36Å; Y200-L264 WeakPolarHBondContact O-CA 3.42Å; P248-L264 HydrophobicContact CB-CD2 4.09Å; K252-L264 HydrophobicContact CB-CB 4.27Å; K252-L264 HydrophobicContact CB-CD2 3.92Å; K252-L264 HydrophobicContact CD-CB 3.78Å; K252-L264 HydrophobicContact CD-CD2 4.1Å; K252-L264 HydrophobicContact CG-CB 4.03Å; K252-L264 HydrophobicContact CG-CD2 4.47Å; L264-Y266 HydrophobicContact CD2-CE2 4.39Å; L264-Y266 VanDerWaalsContact CD2-OH 3.25Å; L264-Y266 WeakPolarHBondContact CD2-OH 3.27Å; L264-Y266 HydrophobicContact CG-CE2 4.26Å
265D98.1Very high95.4Very high71 Ų7168.3 Ų68.338%0.3836%0.362SS..EExtended strand (participates in β ladder)trans-128-174.7163.16726.3000111.2H199 Y200 T201 S202H199-D265 VanDerWaalsContact CE1-CG 3.42Å; H199-D265 IonicContact CE1-OD1 3.67Å; H199-D265 IonicContact CE1-OD2 3.17Å; H199-D265 PolarHBondContact CE1-OD2 3.17Å; H199-D265 IonicContact NE2-OD1 3.63Å; H199-D265 IonicContact NE2-OD2 3.41Å; H199-D265 PolarHBondContact NE2-OD2 2.8Å; Y200-D265 PolarHBondContact O-N 2.66Å; T201-D265 VanDerWaalsContact CA-OD1 3.23Å; T201-D265 WeakPolarHBondContact CA-OD1 3.48Å; T201-D265 WeakPolarHBondContact CB-OD1 3.44Å; T201-D265 VanDerWaalsContact CG2-OD1 3.23Å; T201-D265 WeakPolarHBondContact CG2-OD1 3.41Å; T201-D265 PolarHBondContact OG1-OD1 3.46Å; S202-D265 PolarHBondContact N-O 2.97Å
266Y98.2Very high95.1Very high63 Ų6368.4 Ų68.425%0.24736%0.362CS..EExtended strand (participates in β ladder)trans-135.9125.9-167.4-63-88.9000111.6S202 I204 K206 P248 E249 L264S202-Y266 WeakPolarHBondContact O-CA 3.28Å; I204-Y266 VanDerWaalsContact O-CD1 3.27Å; I204-Y266 WeakPolarHBondContact O-CD1 3.39Å; I204-Y266 VanDerWaalsContact O-CE1 3.29Å; I204-Y266 WeakPolarHBondContact O-CE1 3.32Å; K206-Y266 HydrophobicContact CB-CE1 4.14Å; K206-Y266 HydrophobicContact CB-CE2 4.4Å; K206-Y266 WeakPolarHBondContact CB-OH 3.33Å; P248-Y266 HydrophobicContact CB-CE1 4.17Å; P248-Y266 HydrophobicContact CG-CE1 4.45Å; E249-Y266 WeakPolarHBondContact CG-OH 3.29Å; E249-Y266 PolarHBondContact OE1-OH 2.86Å; L264-Y266 HydrophobicContact CD2-CE2 4.39Å; L264-Y266 VanDerWaalsContact CD2-OH 3.25Å; L264-Y266 WeakPolarHBondContact CD2-OH 3.27Å; L264-Y266 HydrophobicContact CG-CE2 4.26Å
267D97Very high94.9Very high125 Ų12569.5 Ų69.567%0.66837%0.37SS*.  trans-127.979.2164.4-174.421.5000107.5T201 S202 F203 D269T201-D267 HydrophobicContact CG2-CB 3.51Å; S202-D267 CarbonylContact O-C 3.59Å; S202-D267 PolarHBondContact O-N 3.26Å; F203-D267 WeakPolarHBondContact CA-O 3.42Å; D267-D269 PolarHBondContact O-N 3.37Å
268V96.9Very high94.6Very high50 Ų5062.8 Ų62.830%0.30334%0.339SS..  trans-67.2121.3-166.3-179.60000110.8D205 P270 Q273D205-V268 HydrophobicContact CB-CG1 4.35Å; D205-V268 HydrophobicContact CB-CG2 3.78Å; V268-P270 WeakPolarHBondContact O-CD 3.18Å; V268-Q273 HydrophobicContact CG1-CB 3.72Å; V268-Q273 HydrophobicContact CG1-CG 3.91Å
269D92.7Very high94.4Very high55 Ų5558.5 Ų58.529%0.29432%0.322SS..  trans-78.9116.7171.8178.4-42.5000108.6F203 D267 I271 R272 Q273F203-D269 HydrophobicContact CB-CB 4.03Å; F203-D269 PolarHBondContact O-N 3.34Å; D267-D269 PolarHBondContact O-N 3.37Å; D269-I271 VanDerWaalsContact C-N 3.26Å; D269-I271 PolarHBondContact O-N 3.37Å; D269-I271 WeakPolarHBondContact OD1-CA 3.44Å; D269-I271 VanDerWaalsContact OD1-CB 3.31Å; D269-I271 WeakPolarHBondContact OD1-CB 3.18Å; D269-I271 PolarHBondContact OD1-N 3.38Å; D269-R272 HydrophobicContact CB-CB 4.13Å; D269-R272 HydrophobicContact CB-CG 4.3Å; D269-R272 PolarHBondContact O-N 2.96Å; D269-R272 PolarHBondContact OD1-N 3.46Å; D269-Q273 WeakPolarHBondContact O-CB 3.16Å; D269-Q273 PolarHBondContact O-N 2.68Å
270P92Very high94.4Very high103 Ų10355.9 Ų55.967%0.66931%0.312SS*.Hα-helixtrans-65.5-27-174.926.1-34.6000113.7V268 G274V268-P270 WeakPolarHBondContact O-CD 3.18Å; P270-G274 PolarHBondContact O-N 3.23Å
271I86.9Confident94.3Very high124 Ų12454.1 Ų54.164%0.63630%0.297SS*.Hα-helixtrans-73.8-50.7177.7-60.4174.6000109.1D269 Q273 G274 I275D269-I271 VanDerWaalsContact C-N 3.26Å; D269-I271 PolarHBondContact O-N 3.37Å; D269-I271 WeakPolarHBondContact OD1-CA 3.44Å; D269-I271 VanDerWaalsContact OD1-CB 3.31Å; D269-I271 WeakPolarHBondContact OD1-CB 3.18Å; D269-I271 PolarHBondContact OD1-N 3.38Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 3.35Å; I271-G274 PolarHBondContact O-N 2.86Å; I271-I275 HydrophobicContact CG2-CD1 4.17Å; I271-I275 WeakPolarHBondContact O-CG1 3.33Å; I271-I275 PolarHBondContact O-N 3.36Å
272R87.1Confident94.3Very high57 Ų5748.4 Ų48.422%0.21527%0.269CS..Hα-helixtrans-64.7-40.4179-67.6-175.5175.1176.4-2.4111.3G181 T183 F203 I204 D269 I275 A276G181-R272 PolarHBondContact O-NH2 2.73Å; G181-R272 VanDerWaalsContact O-NH2 3.08Å; T183-R272 HydrophobicContact CG2-CB 4.38Å; T183-R272 WeakPolarHBondContact CG2-O 3.28Å; F203-R272 VanDerWaalsContact CD1-NH1 3.31Å; F203-R272 HydrophobicContact CD2-CB 4.1Å; F203-R272 HydrophobicContact CD2-CG 4.39Å; F203-R272 HydrophobicContact CE2-CB 4.48Å; F203-R272 VanDerWaalsContact CE2-CD 3.47Å; I204-R272 HydrophobicContact CD1-CB 4.13Å; D269-R272 HydrophobicContact CB-CB 4.13Å; D269-R272 HydrophobicContact CB-CG 4.3Å; D269-R272 PolarHBondContact O-N 2.96Å; D269-R272 PolarHBondContact OD1-N 3.46Å; R272-I275 PolarHBondContact O-N 3.45Å; R272-A276 PolarHBondContact O-N 3.16Å
273Q93.9Very high94.2Very high19 Ų1948.9 Ų48.99%0.08927%0.272CS..Hα-helixtrans-62.1-44174.7-172.763.449.700112.1T208 V268 D269 I271 I275 A276 N277T208-Q273 PolarHBondContact OG1-NE2 3.44Å; V268-Q273 HydrophobicContact CG1-CB 3.72Å; V268-Q273 HydrophobicContact CG1-CG 3.91Å; D269-Q273 WeakPolarHBondContact O-CB 3.16Å; D269-Q273 PolarHBondContact O-N 2.68Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 3.35Å; Q273-I275 VanDerWaalsContact C-N 3.3Å; Q273-I275 PolarHBondContact O-N 2.9Å; Q273-A276 PolarHBondContact O-N 2.9Å; Q273-N277 PolarHBondContact NE2-OD1 3.27Å; Q273-N277 VanDerWaalsContact O-CB 3.3Å; Q273-N277 WeakPolarHBondContact O-CB 3.42Å; Q273-N277 PolarHBondContact O-N 3.02Å; Q273-N277 PolarHBondContact O-ND2 2.8Å
274G92.2Very high94.2Very high40 Ų4047.3 Ų47.341%0.41226%0.261SS..Hα-helixtrans-60.1-40.5176.400000112.4P270 I271 S278P270-G274 PolarHBondContact O-N 3.23Å; I271-G274 PolarHBondContact O-N 2.86Å; G274-S278 PolarHBondContact O-N 3.32Å
275I86.9Confident94.2Very high17 Ų1747 Ų479%0.08726%0.26CS..Hα-helixtrans-64.9-49.8175.1-66.1165.9000110.7T183 I271 R272 Q273 N277 S278 W279T183-I275 HydrophobicContact CG2-CB 4.27Å; T183-I275 HydrophobicContact CG2-CG2 4.11Å; T183-I275 WeakPolarHBondContact OG1-CG2 3.14Å; I271-I275 HydrophobicContact CG2-CD1 4.17Å; I271-I275 WeakPolarHBondContact O-CG1 3.33Å; I271-I275 PolarHBondContact O-N 3.36Å; R272-I275 PolarHBondContact O-N 3.45Å; Q273-I275 VanDerWaalsContact C-N 3.3Å; Q273-I275 PolarHBondContact O-N 2.9Å; I275-N277 VanDerWaalsContact C-N 3.34Å; I275-N277 PolarHBondContact O-N 3.2Å; I275-S278 WeakPolarHBondContact O-CB 3.43Å; I275-S278 PolarHBondContact O-N 3.36Å; I275-S278 PolarHBondContact O-OG 2.85Å; I275-W279 HydrophobicContact CG2-CD2 4.27Å; I275-W279 HydrophobicContact CG2-CH2 3.64Å; I275-W279 HydrophobicContact CG2-CZ2 3.21Å; I275-W279 HydrophobicContact CG2-CZ3 4.28Å; I275-W279 PolarHBondContact O-N 2.6Å
276A91.9Very high94.2Very high2 Ų246.6 Ų46.62%0.01726%0.263CS..Hα-helixtrans-59.1-45.8179.300000111.5T183 I204 T208 M210 R272 Q273 S278 W279T183-A276 HydrophobicContact CG2-CB 3.92Å; I204-A276 HydrophobicContact CD1-CB 4.04Å; T208-A276 HydrophobicContact CG2-CB 3.88Å; M210-A276 HydrophobicContact CE-CB 4.07Å; M210-A276 HydrophobicContact SD-CB 3.9Å; R272-A276 PolarHBondContact O-N 3.16Å; Q273-A276 PolarHBondContact O-N 2.9Å; A276-S278 PolarHBondContact O-N 2.68Å; A276-S278 VanDerWaalsContact O-N 3.11Å; A276-W279 PolarHBondContact O-N 2.65Å
277N94.4Very high94.2Very high88 Ų8845.1 Ų45.147%0.47126%0.261SS..Hα-helixtrans-62.2-19.6176.3-73.9-10.8000113.6K127 Q273 I275K127-N277 WeakPolarHBondContact CE-O 3.26Å; K127-N277 PolarHBondContact NZ-O 3.48Å; Q273-N277 PolarHBondContact NE2-OD1 3.27Å; Q273-N277 VanDerWaalsContact O-CB 3.3Å; Q273-N277 WeakPolarHBondContact O-CB 3.42Å; Q273-N277 PolarHBondContact O-N 3.02Å; Q273-N277 PolarHBondContact O-ND2 2.8Å; I275-N277 VanDerWaalsContact C-N 3.34Å; I275-N277 PolarHBondContact O-N 3.2Å
278S92.5Very high94.2Very high2 Ų239.2 Ų39.21%0.01423%0.23CC..Hα-helixtrans-82.3-18.6175.879.90000113G122 D123 K127 G274 I275 A276G122-S278 CarbonylContact C-O 3.07Å; G122-S278 VanDerWaalsContact CA-O 3.29Å; G122-S278 WeakPolarHBondContact CA-O 3.27Å; D123-S278 VanDerWaalsContact OD1-CA 3.24Å; D123-S278 WeakPolarHBondContact OD1-CA 3.3Å; D123-S278 VanDerWaalsContact OD1-CB 3.23Å; D123-S278 WeakPolarHBondContact OD1-CB 3.34Å; K127-S278 PolarHBondContact NZ-O 3.28Å; G274-S278 PolarHBondContact O-N 3.32Å; I275-S278 WeakPolarHBondContact O-CB 3.43Å; I275-S278 PolarHBondContact O-N 3.36Å; I275-S278 PolarHBondContact O-OG 2.85Å; A276-S278 PolarHBondContact O-N 2.68Å; A276-S278 VanDerWaalsContact O-N 3.11Å
279W93.7Very high94.3Very high12 Ų1242.1 Ų42.15%0.04524%0.235CC..SBendtrans-89.7164.8-178.9-61.9-18.3000113.1I118 K127 T183 T184 M210 I275 A276I118-W279 HydrophobicContact CD1-CD2 4.09Å; I118-W279 HydrophobicContact CD1-CE3 3.69Å; I118-W279 HydrophobicContact CD1-CG 4.47Å; I118-W279 HydrophobicContact CD1-CZ3 4.2Å; I118-W279 HydrophobicContact CG1-CD2 4.23Å; I118-W279 HydrophobicContact CG1-CE3 4.23Å; K127-W279 VanDerWaalsContact CD-O 3.25Å; K127-W279 WeakPolarHBondContact CD-O 3.49Å; K127-W279 PolarHBondContact NZ-O 3.46Å; T183-W279 HydrophobicContact CG2-CH2 4.18Å; T183-W279 HydrophobicContact CG2-CZ3 3.91Å; T184-W279 HydrophobicContact CG2-CZ3 3.89Å; M210-W279 HydrophobicContact SD-CE3 4.22Å; M210-W279 HydrophobicContact SD-CZ3 4.37Å; I275-W279 HydrophobicContact CG2-CD2 4.27Å; I275-W279 HydrophobicContact CG2-CH2 3.64Å; I275-W279 HydrophobicContact CG2-CZ2 3.21Å; I275-W279 HydrophobicContact CG2-CZ3 4.28Å; I275-W279 PolarHBondContact O-N 2.6Å; A276-W279 PolarHBondContact O-N 2.65Å
280P96.1Very high94.6Very high2 Ų242.7 Ų42.71%0.01325%0.254CS..  trans-57.1148170.3-32.340.9000114.8F121 T130 I283F121-P280 HydrophobicContact CB-CG 4.19Å; F121-P280 HydrophobicContact CD2-CG 3.56Å; F121-P280 HydrophobicContact CE2-CG 4.17Å; F121-P280 HydrophobicContact CG-CG 4.04Å; T130-P280 HydrophobicContact CG2-CG 4.03Å; T130-P280 WeakPolarHBondContact OG1-CB 3.31Å; T130-P280 VanDerWaalsContact OG1-CG 3.3Å; T130-P280 WeakPolarHBondContact OG1-CG 3.12Å; P280-I283 HydrophobicContact CB-CD1 4.33Å; P280-I283 HydrophobicContact CB-CG1 3.89Å; P280-I283 HydrophobicContact CG-CD1 4.39Å; P280-I283 HydrophobicContact CG-CG1 4.18Å
281D96.3Very high94.9Very high59 Ų5939 Ų3932%0.31623%0.228SC..SBendtrans-79.6-37.7167.5-56.5-19000110.4K127 S245K127-D281 HydrophobicContact CB-CB 4.48Å; K127-D281 WeakPolarHBondContact CB-OD2 3.23Å; K127-D281 WeakPolarHBondContact O-CA 3.16Å; K127-D281 PolarHBondContact O-N 3.01Å; S245-D281 WeakPolarHBondContact CB-O 3.27Å; S245-D281 PolarHBondContact OG-O 2.74Å
282S97.3Very high95.4Very high32 Ų3233.9 Ų33.922%0.22420%0.201CC..SBendtrans-149.5149.6175.648.20000111.8K127 V128 N129 T130 D211K127-S282 PolarHBondContact O-N 3.28Å; V128-S282 WeakPolarHBondContact CA-OG 3.47Å; N129-S282 PolarHBondContact N-O 3.43Å; N129-S282 VanDerWaalsContact N-O 3.1Å; N129-S282 PolarHBondContact N-OG 2.68Å; T130-S282 PolarHBondContact N-O 2.83Å; T130-S282 PolarHBondContact OG1-O 3.24Å; T130-S282 VanDerWaalsContact OG1-O 3.09Å; D211-S282 WeakPolarHBondContact OD2-CA 3.3Å
283I97.3Very high95.9Very high13 Ų1332.6 Ų32.67%0.06721%0.205CC..BIsolated β-bridgetrans-119.9136.2-175.1-75165.5000111.4I118 F121 D211 N240 P280 T285I118-I283 HydrophobicContact CB-CD1 4.36Å; I118-I283 HydrophobicContact CG2-CD1 3.21Å; F121-I283 HydrophobicContact CE2-CD1 4.2Å; D211-I283 HydrophobicContact CB-CD1 4.18Å; D211-I283 PolarHBondContact OD1-N 3.3Å; D211-I283 WeakPolarHBondContact OD2-CB 3.37Å; D211-I283 WeakPolarHBondContact OD2-CD1 3.27Å; D211-I283 WeakPolarHBondContact OD2-CG1 3.34Å; D211-I283 PolarHBondContact OD2-N 3.38Å; N240-I283 HydrophobicContact CB-CG2 3.41Å; N240-I283 VanDerWaalsContact CB-CG2 3.41Å; N240-I283 WeakPolarHBondContact ND2-CG2 3.43Å; P280-I283 HydrophobicContact CB-CD1 4.33Å; P280-I283 HydrophobicContact CB-CG1 3.89Å; P280-I283 HydrophobicContact CG-CD1 4.39Å; P280-I283 HydrophobicContact CG-CG1 4.18Å; I283-T285 PolarHBondContact O-N 3.5Å
284D98.3Very high96.1Very high39 Ų3932 Ų3221%0.20920%0.202CC..  trans-76.2121.6170.1-178.517.4000110.5N129 T130 N240 S286N129-D284 WeakPolarHBondContact OD1-CB 3.2Å; T130-D284 WeakPolarHBondContact O-CB 3.23Å; T130-D284 PolarHBondContact O-N 3.33Å; N240-D284 WeakPolarHBondContact CB-O 3.42Å; N240-D284 PolarHBondContact ND2-O 3.44Å; D284-S286 VanDerWaalsContact CG-OG 3.25Å; D284-S286 WeakPolarHBondContact OD1-CB 3.23Å; D284-S286 PolarHBondContact OD1-N 3.44Å; D284-S286 PolarHBondContact OD1-OG 2.94Å; D284-S286 VanDerWaalsContact OD1-OG 3.09Å; D284-S286 PolarHBondContact OD2-OG 3.48Å
285T98.3Very high96.4Very high15 Ų1533.5 Ų33.59%0.09220%0.201CC..  trans-103.311.3177.170.60000113I283 C287 S288 R289 F294I283-T285 PolarHBondContact O-N 3.5Å; T285-C287 VanDerWaalsContact C-N 3.33Å; T285-C287 PolarHBondContact O-N 3.04Å; T285-S288 PolarHBondContact O-N 2.99Å; T285-S288 VanDerWaalsContact O-N 3.16Å; T285-R289 WeakPolarHBondContact O-CG 3.16Å; T285-R289 PolarHBondContact O-N 2.85Å; T285-R289 PolarHBondContact OG1-NE 3.37Å; T285-F294 HydrophobicContact CG2-CE1 4.22Å
286S98.2Very high96.9Very high61 Ų6133.7 Ų33.743%0.42720%0.203SC..Hα-helixtrans-55.2-43.5-17362.80000113.2D284 R289 G290D284-S286 VanDerWaalsContact CG-OG 3.25Å; D284-S286 WeakPolarHBondContact OD1-CB 3.23Å; D284-S286 PolarHBondContact OD1-N 3.44Å; D284-S286 PolarHBondContact OD1-OG 2.94Å; D284-S286 VanDerWaalsContact OD1-OG 3.09Å; D284-S286 PolarHBondContact OD2-OG 3.48Å; S286-R289 PolarHBondContact O-N 3Å; S286-G290 PolarHBondContact O-N 3.5Å
287C98.1Very high97.2Very high33 Ų3339 Ų3922%0.22323%0.226CC..Hα-helixtrans-60.2-48.5175.8-66.20000112Q132 Y239 T285 R289 G290 E291Q132-C287 HydrophobicContact CB-CB 4.23Å; Q132-C287 VanDerWaalsContact CB-SG 3.56Å; Q132-C287 HydrophobicContact CG-CB 3.94Å; Y239-C287 HydrophobicContact CD1-CB 4.38Å; Y239-C287 HydrophobicContact CE1-CB 4.48Å; T285-C287 VanDerWaalsContact C-N 3.33Å; T285-C287 PolarHBondContact O-N 3.04Å; C287-R289 VanDerWaalsContact C-N 3.32Å; C287-R289 PolarHBondContact O-N 3.06Å; C287-G290 PolarHBondContact O-N 2.99Å; C287-E291 WeakPolarHBondContact O-CB 3.38Å; C287-E291 WeakPolarHBondContact O-CG 3.4Å; C287-E291 PolarHBondContact O-N 3.04Å
288S98.5Very high97.3Very high0 Ų037.6 Ų37.60%021%0.214CC..Hα-helixtrans-61.7-40.6179.3-51.80000112.4Y239 N240 T285 W292 G293 F294Y239-S288 WeakPolarHBondContact CB-OG 3.33Å; N240-S288 PolarHBondContact O-OG 2.78Å; T285-S288 PolarHBondContact O-N 2.99Å; T285-S288 VanDerWaalsContact O-N 3.16Å; S288-W292 PolarHBondContact O-N 3.46Å; S288-G293 PolarHBondContact O-N 3.38Å; S288-F294 WeakPolarHBondContact O-CB 3.38Å; S288-F294 PolarHBondContact O-N 3.16Å
289R98.2Very high97.6Very high111 Ų11141.8 Ų41.842%0.41924%0.237SC..Hα-helixtrans-68.3-42.5176.5-66.2-175.9175.1-96.24.6111.6T285 S286 C287 G293 F294 D295T285-R289 WeakPolarHBondContact O-CG 3.16Å; T285-R289 PolarHBondContact O-N 2.85Å; T285-R289 PolarHBondContact OG1-NE 3.37Å; S286-R289 PolarHBondContact O-N 3Å; C287-R289 VanDerWaalsContact C-N 3.32Å; C287-R289 PolarHBondContact O-N 3.06Å; R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.39Å; R289-F294 HydrophobicContact CG-CB 4.43Å; R289-F294 HydrophobicContact CG-CD1 4.28Å; R289-F294 WeakPolarHBondContact CG-O 3.42Å; R289-D295 IonicContact NH1-OD1 3.3Å
290G98.1Very high97.8Very high68 Ų6842.5 Ų42.570%0.70124%0.242SC*.Hα-helixtrans-74.5-43-175.900000114.1S286 C287S286-G290 PolarHBondContact O-N 3.5Å; C287-G290 PolarHBondContact O-N 2.99Å
291E98.4Very high97.8Very high24 Ų2444.9 Ų44.911%0.11226%0.261CS..Hα-helixtrans-82.5-40.4-170.4-67.7-177.6-13200112.7K232 E234 T235 Y239 C287K232-E291 VanDerWaalsContact CB-O 3.28Å; K232-E291 WeakPolarHBondContact CB-O 3.25Å; K232-E291 WeakPolarHBondContact O-CB 3.41Å; E234-E291 WeakPolarHBondContact CA-OE2 3.48Å; E234-E291 PolarHBondContact N-OE2 3.49Å; T235-E291 WeakPolarHBondContact CB-OE1 3.47Å; T235-E291 PolarHBondContact N-OE2 2.86Å; T235-E291 PolarHBondContact OG1-OE1 3.31Å; Y239-E291 HydrophobicContact CE1-CB 4.19Å; Y239-E291 HydrophobicContact CE1-CG 4.41Å; Y239-E291 WeakPolarHBondContact CE1-OE2 3.22Å; Y239-E291 PolarHBondContact OH-OE2 3.43Å; C287-E291 WeakPolarHBondContact O-CB 3.38Å; C287-E291 WeakPolarHBondContact O-CG 3.4Å; C287-E291 PolarHBondContact O-N 3.04Å
292W98.2Very high97.9Very high17 Ų1744.2 Ų44.26%0.06426%0.261CS..Hα-helixtrans-135.310-175.755.2-91.6000114.2V167 A221 K224 L225 A228 L233 Y239 L241 S288 F294V167-W292 HydrophobicContact CG1-CZ2 4.49Å; A221-W292 HydrophobicContact CB-CH2 3.95Å; A221-W292 HydrophobicContact CB-CZ3 4.3Å; K224-W292 HydrophobicContact CB-CE3 4.32Å; K224-W292 HydrophobicContact CB-CZ3 4.25Å; K224-W292 HydrophobicContact CD-CE3 4.13Å; K224-W292 HydrophobicContact CD-CZ3 4.23Å; K224-W292 WeakPolarHBondContact CE-O 3.44Å; K224-W292 HydrophobicContact CG-CE3 4.04Å; K224-W292 HydrophobicContact CG-CZ3 4.35Å; L225-W292 HydrophobicContact CB-CD2 4.36Å; L225-W292 HydrophobicContact CB-CE3 4.36Å; L225-W292 HydrophobicContact CB-CZ3 4.44Å; L225-W292 HydrophobicContact CD1-CD2 4.13Å; L225-W292 HydrophobicContact CD1-CG 3.95Å; A228-W292 HydrophobicContact CB-CB 3.67Å; L233-W292 HydrophobicContact CD2-CB 4.06Å; L233-W292 HydrophobicContact CD2-CG 4.31Å; Y239-W292 AromaticContact CD1-NE1 3.45Å; Y239-W292 AromaticContact CD2-NE1 3.75Å; Y239-W292 AromaticContact CE1-CD1 3.79Å; Y239-W292 AromaticContact CE1-NE1 3.56Å; Y239-W292 AromaticContact CE2-NE1 3.86Å; Y239-W292 AromaticContact CG-NE1 3.55Å; Y239-W292 AromaticContact CZ-CD1 3.79Å; Y239-W292 AromaticContact CZ-NE1 3.79Å; L241-W292 HydrophobicContact CD2-CH2 3.75Å; L241-W292 HydrophobicContact CD2-CZ2 3.66Å; S288-W292 PolarHBondContact O-N 3.46Å; W292-F294 HydrophobicContact CD2-CB 4.37Å; W292-F294 HydrophobicContact CE3-CB 4.04Å; W292-F294 HydrophobicContact CH2-CB 3.48Å; W292-F294 VanDerWaalsContact CH2-CB 3.48Å; W292-F294 AromaticContact CH2-CD2 3.56Å; W292-F294 HydrophobicContact CH2-CD2 3.56Å; W292-F294 AromaticContact CH2-CG 3.76Å; W292-F294 HydrophobicContact CH2-CG 3.76Å; W292-F294 HydrophobicContact CZ2-CB 3.84Å; W292-F294 HydrophobicContact CZ2-CD2 4.47Å; W292-F294 HydrophobicContact CZ2-CG 4.29Å; W292-F294 HydrophobicContact CZ3-CB 3.58Å; W292-F294 AromaticContact CZ3-CD2 3.92Å; W292-F294 HydrophobicContact CZ3-CD2 3.92Å; W292-F294 HydrophobicContact CZ3-CG 4.17Å
293G97.9Very high97.9Very high30 Ų3042.7 Ų42.731%0.30925%0.251SS..  trans73.433170.700000113.8K224 S288 R289 D295K224-G293 WeakPolarHBondContact CE-O 3.42Å; K224-G293 PolarHBondContact NZ-O 3.08Å; S288-G293 PolarHBondContact O-N 3.38Å; R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.39Å; G293-D295 PolarHBondContact O-N 3.48Å
294F98.3Very high97.9Very high6 Ų642.1 Ų42.13%0.02625%0.248CC..  trans-47.9129.5170177.5-124.3000110.6M213 A221 L241 S242 T285 S288 R289 W292 P296M213-F294 HydrophobicContact SD-CE2 3.96Å; M213-F294 HydrophobicContact SD-CZ 3.74Å; A221-F294 HydrophobicContact CB-CD2 4Å; A221-F294 HydrophobicContact CB-CE2 3.94Å; L241-F294 HydrophobicContact CB-CE1 4.39Å; L241-F294 HydrophobicContact CB-CZ 4.15Å; L241-F294 HydrophobicContact CD1-CE2 4.4Å; L241-F294 HydrophobicContact CD2-CB 4.47Å; L241-F294 HydrophobicContact CD2-CD1 3.71Å; L241-F294 HydrophobicContact CD2-CD2 3.71Å; L241-F294 HydrophobicContact CD2-CE1 3.79Å; L241-F294 HydrophobicContact CD2-CE2 3.8Å; L241-F294 HydrophobicContact CD2-CG 3.68Å; L241-F294 HydrophobicContact CD2-CZ 3.83Å; L241-F294 HydrophobicContact CG-CZ 4.45Å; S242-F294 WeakPolarHBondContact O-CE1 3.28Å; T285-F294 HydrophobicContact CG2-CE1 4.22Å; S288-F294 WeakPolarHBondContact O-CB 3.38Å; S288-F294 PolarHBondContact O-N 3.16Å; R289-F294 HydrophobicContact CG-CB 4.43Å; R289-F294 HydrophobicContact CG-CD1 4.28Å; R289-F294 WeakPolarHBondContact CG-O 3.42Å; W292-F294 HydrophobicContact CD2-CB 4.37Å; W292-F294 HydrophobicContact CE3-CB 4.04Å; W292-F294 HydrophobicContact CH2-CB 3.48Å; W292-F294 VanDerWaalsContact CH2-CB 3.48Å; W292-F294 AromaticContact CH2-CD2 3.56Å; W292-F294 HydrophobicContact CH2-CD2 3.56Å; W292-F294 AromaticContact CH2-CG 3.76Å; W292-F294 HydrophobicContact CH2-CG 3.76Å; W292-F294 HydrophobicContact CZ2-CB 3.84Å; W292-F294 HydrophobicContact CZ2-CD2 4.47Å; W292-F294 HydrophobicContact CZ2-CG 4.29Å; W292-F294 HydrophobicContact CZ3-CB 3.58Å; W292-F294 AromaticContact CZ3-CD2 3.92Å; W292-F294 HydrophobicContact CZ3-CD2 3.92Å; W292-F294 HydrophobicContact CZ3-CG 4.17Å; F294-P296 HydrophobicContact CE1-CG 3.95Å; F294-P296 HydrophobicContact CE2-CB 4.34Å; F294-P296 HydrophobicContact CE2-CG 4.39Å; F294-P296 HydrophobicContact CZ-CB 3.98Å; F294-P296 HydrophobicContact CZ-CG 3.73Å
295D97.7Very high97.9Very high73 Ų7344.7 Ų44.739%0.3926%0.257SS..  trans-154.380.9-175.2-170.540.1000111.3R289 G293 K297R289-D295 IonicContact NH1-OD1 3.3Å; G293-D295 PolarHBondContact O-N 3.48Å; D295-K297 WeakPolarHBondContact O-CD 3.46Å; D295-K297 WeakPolarHBondContact O-CE 3.27Å; D295-K297 IonicContact OD2-NZ 2.92Å; D295-K297 PolarHBondContact OD2-NZ 2.96Å
296P97.3Very high97.8Very high20 Ų2046 Ų4613%0.1326%0.263CS..  trans-64.8142.3-179.128.1-33.2000110.8D217 A243 F294D217-P296 HydrophobicContact CB-CB 4.09Å; D217-P296 WeakPolarHBondContact OD1-CA 3.18Å; D217-P296 WeakPolarHBondContact OD2-CB 3.18Å; A243-P296 HydrophobicContact CB-CB 3.69Å; A243-P296 HydrophobicContact CB-CG 4Å; F294-P296 HydrophobicContact CE1-CG 3.95Å; F294-P296 HydrophobicContact CE2-CB 4.34Å; F294-P296 HydrophobicContact CE2-CG 4.39Å; F294-P296 HydrophobicContact CZ-CB 3.98Å; F294-P296 HydrophobicContact CZ-CG 3.73Å
297K97.7Very high97.7Very high113 Ų11343 Ų4349%0.49124%0.243SC..  trans-100.8-22.9-172.1-53.6-54177.6-177.60113.3D217 D295D217-K297 PolarHBondContact OD1-N 3.33Å; D217-K297 PolarHBondContact OD2-N 3.09Å; D295-K297 WeakPolarHBondContact O-CD 3.46Å; D295-K297 WeakPolarHBondContact O-CE 3.27Å; D295-K297 IonicContact OD2-NZ 2.92Å; D295-K297 PolarHBondContact OD2-NZ 2.96Å
298Y97.8Very high97.6Very high59 Ų5941.6 Ų41.623%0.23123%0.233CC..  trans-101.6121.9-174.1-61.7-91.3000111Y214 D216 D217 L306Y214-Y298 AromaticContact CD1-CD1 3.97Å; Y214-Y298 HydrophobicContact CD1-CD1 3.97Å; Y214-Y298 AromaticContact CD1-CD2 3.59Å; Y214-Y298 HydrophobicContact CD1-CD2 3.59Å; Y214-Y298 HydrophobicContact CD1-CE1 4.05Å; Y214-Y298 AromaticContact CD1-CE2 3.7Å; Y214-Y298 HydrophobicContact CD1-CE2 3.7Å; Y214-Y298 AromaticContact CD1-CG 3.73Å; Y214-Y298 HydrophobicContact CD1-CG 3.73Å; Y214-Y298 AromaticContact CD1-CZ 3.92Å; Y214-Y298 HydrophobicContact CE1-CE1 4.26Å; Y214-Y298 HydrophobicContact CE1-CE2 4.26Å; Y214-Y298 HydrophobicContact CG-CD2 4.29Å; Y214-Y298 HydrophobicContact CG-CG 4.16Å; D216-Y298 HydrophobicContact CB-CE2 3.81Å; D216-Y298 PolarHBondContact OD2-OH 3.12Å; D217-Y298 WeakPolarHBondContact OD2-CD2 3.48Å; D217-Y298 PolarHBondContact OD2-N 2.87Å; Y298-L306 HydrophobicContact CE1-CD1 3.68Å
299D97.2Very high97.5Very high90 Ų9045.6 Ų45.648%0.48125%0.251SS..  trans-94.1177.3164.165.411.6000110.9A301 S302 M303D299-A301 VanDerWaalsContact C-N 3.26Å; D299-A301 PolarHBondContact O-N 3.28Å; D299-A301 PolarHBondContact OD1-N 3.03Å; D299-S302 PolarHBondContact N-OG 2.94Å; D299-S302 PolarHBondContact O-N 3.35Å; D299-S302 PolarHBondContact O-OG 3.16Å; D299-S302 VanDerWaalsContact OD1-CB 3.27Å; D299-S302 WeakPolarHBondContact OD1-CB 3.2Å; D299-S302 PolarHBondContact OD1-N 3.47Å; D299-S302 PolarHBondContact OD1-OG 2.81Å; D299-M303 WeakPolarHBondContact O-CB 3.33Å; D299-M303 PolarHBondContact O-N 2.94Å
300L97.7Very high97.3Very high28 Ų2841.2 Ų41.215%0.14724%0.239CC..Hα-helixtrans-59.5-37.8-177.2178.758.8000112.1M244 F246 M250 V251 A254 M303 T304M244-L300 VanDerWaalsContact SD-CA 3.56Å; M244-L300 HydrophobicContact SD-CB 3.91Å; M244-L300 PolarHBondContact SD-N 3.04Å; F246-L300 HydrophobicContact CB-CD2 4.36Å; F246-L300 HydrophobicContact CD1-CD1 4.02Å; F246-L300 HydrophobicContact CD1-CD2 4.46Å; F246-L300 HydrophobicContact CE1-CD1 3.98Å; F246-L300 HydrophobicContact CZ-CD1 4.48Å; M250-L300 HydrophobicContact CB-CD2 4.11Å; M250-L300 HydrophobicContact CE-CD2 4.35Å; V251-L300 HydrophobicContact CG2-CD1 4.36Å; A254-L300 HydrophobicContact CB-CD2 4.34Å; A254-L300 HydrophobicContact CB-CG 4.11Å; L300-M303 HydrophobicContact CD1-CE 3.74Å; L300-T304 WeakPolarHBondContact O-CB 3.46Å; L300-T304 PolarHBondContact O-N 3.22Å; L300-T304 PolarHBondContact O-OG1 3.48Å
301A97.3Very high97Very high51 Ų5138 Ų3842%0.42121%0.205SC..Hα-helixtrans-70.6-51-177.700000111.8D299 T304 K305D299-A301 VanDerWaalsContact C-N 3.26Å; D299-A301 PolarHBondContact O-N 3.28Å; D299-A301 PolarHBondContact OD1-N 3.03Å; A301-T304 PolarHBondContact O-N 3.22Å; A301-K305 PolarHBondContact O-N 3.31Å
302S97.5Very high96.8Very high46 Ų4640.5 Ų40.532%0.32222%0.217SC..Hα-helixtrans-65.4-39.8178.3560000112.3D299 L306D299-S302 PolarHBondContact N-OG 2.94Å; D299-S302 PolarHBondContact O-N 3.35Å; D299-S302 PolarHBondContact O-OG 3.16Å; D299-S302 VanDerWaalsContact OD1-CB 3.27Å; D299-S302 WeakPolarHBondContact OD1-CB 3.2Å; D299-S302 PolarHBondContact OD1-N 3.47Å; D299-S302 PolarHBondContact OD1-OG 2.81Å; S302-L306 WeakPolarHBondContact O-CB 3.14Å; S302-L306 PolarHBondContact O-N 3.03Å; S302-L306 VanDerWaalsContact O-N 3.13Å
303M97.5Very high96.5Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-64-45.8173.5-177.6-166.167.900111.5I173 Y191 Y214 M244 F246 D299 L300 K305 L306 M307I173-M303 HydrophobicContact CB-SD 3.87Å; I173-M303 HydrophobicContact CD1-CE 3.66Å; I173-M303 HydrophobicContact CD1-SD 3.43Å; I173-M303 WeakPolarHBondContact CD1-SD 3.15Å; I173-M303 HydrophobicContact CG1-SD 4.24Å; I173-M303 HydrophobicContact CG2-CG 4.46Å; I173-M303 HydrophobicContact CG2-SD 3.78Å; Y191-M303 HydrophobicContact CE2-CE 4.21Å; Y191-M303 VanDerWaalsContact OH-CE 3.3Å; Y191-M303 WeakPolarHBondContact OH-CE 3.44Å; Y214-M303 HydrophobicContact CD2-CG 3.75Å; Y214-M303 HydrophobicContact CD2-SD 4.34Å; Y214-M303 HydrophobicContact CG-CG 4.17Å; M244-M303 HydrophobicContact CE-CB 4.29Å; M244-M303 HydrophobicContact CE-CE 4.04Å; M244-M303 HydrophobicContact CE-CG 4.46Å; M244-M303 HydrophobicContact CE-SD 3.47Å; M244-M303 WeakPolarHBondContact CE-SD 3.47Å; M244-M303 HydrophobicContact SD-CE 4.39Å; F246-M303 HydrophobicContact CE1-CE 4.26Å; F246-M303 HydrophobicContact CZ-CE 4.43Å; D299-M303 WeakPolarHBondContact O-CB 3.33Å; D299-M303 PolarHBondContact O-N 2.94Å; L300-M303 HydrophobicContact CD1-CE 3.74Å; M303-K305 VanDerWaalsContact C-N 3.34Å; M303-K305 PolarHBondContact O-N 3.42Å; M303-L306 PolarHBondContact O-N 2.89Å; M303-M307 HydrophobicContact CG-CG 4.2Å; M303-M307 WeakPolarHBondContact O-CB 2.88Å; M303-M307 WeakPolarHBondContact O-CG 3.36Å; M303-M307 PolarHBondContact O-N 3.43Å
304T97.9Very high95.9Very high1 Ų147.7 Ų47.71%0.00624%0.242CC..Hα-helixtrans-57.3-49.1178.5-69.60000110.9Y191 A254 I255 Y258 L300 A301 L306 M307 L308Y191-T304 HydrophobicContact CE1-CG2 3.74Å; Y191-T304 PolarHBondContact OH-OG1 3.46Å; A254-T304 HydrophobicContact CB-CG2 4.06Å; I255-T304 HydrophobicContact CG1-CG2 4.29Å; Y258-T304 HydrophobicContact CD2-CG2 4.33Å; Y258-T304 HydrophobicContact CE2-CG2 4.32Å; L300-T304 WeakPolarHBondContact O-CB 3.46Å; L300-T304 PolarHBondContact O-N 3.22Å; L300-T304 PolarHBondContact O-OG1 3.48Å; A301-T304 PolarHBondContact O-N 3.22Å; T304-L306 VanDerWaalsContact C-N 3.34Å; T304-L306 PolarHBondContact O-N 2.95Å; T304-M307 PolarHBondContact O-N 3.04Å; T304-L308 HydrophobicContact CG2-CD1 3.86Å; T304-L308 HydrophobicContact CG2-CG 4.43Å; T304-L308 VanDerWaalsContact O-CG 3.31Å; T304-L308 WeakPolarHBondContact O-CG 3.41Å; T304-L308 PolarHBondContact O-N 3.13Å
305K97.8Very high95Very high92 Ų9248.4 Ų48.440%0.425%0.247SC..Hα-helixtrans-54.6-51.2176.9-176.2179.1172.9-178.60111.5Y258 A301 M303 L308 E309Y258-K305 HydrophobicContact CE1-CG 4.11Å; Y258-K305 WeakPolarHBondContact OH-CB 3.34Å; Y258-K305 WeakPolarHBondContact OH-CG 3.31Å; A301-K305 PolarHBondContact O-N 3.31Å; M303-K305 VanDerWaalsContact C-N 3.34Å; M303-K305 PolarHBondContact O-N 3.42Å; K305-L308 PolarHBondContact O-N 3.09Å; K305-E309 WeakPolarHBondContact CE-OE1 3.37Å; K305-E309 IonicContact NZ-OE1 3.88Å; K305-E309 WeakPolarHBondContact O-CB 3.41Å; K305-E309 WeakPolarHBondContact O-CG 3.29Å; K305-E309 PolarHBondContact O-N 3.42Å
306L96.5Very high94.1Very high42 Ų4248.9 Ų48.922%0.2225%0.252CS..Hα-helixtrans-63.1-45.3-177.7-173.8155.9000111.8Y214 Y298 S302 M303 T304 L308 E309 A310Y214-L306 HydrophobicContact CE1-CD1 4.17Å; Y214-L306 HydrophobicContact CE1-CD2 4.14Å; Y214-L306 HydrophobicContact CE2-CD2 4.05Å; Y214-L306 WeakPolarHBondContact OH-CD2 3.14Å; Y298-L306 HydrophobicContact CE1-CD1 3.68Å; S302-L306 WeakPolarHBondContact O-CB 3.14Å; S302-L306 PolarHBondContact O-N 3.03Å; S302-L306 VanDerWaalsContact O-N 3.13Å; M303-L306 PolarHBondContact O-N 2.89Å; T304-L306 VanDerWaalsContact C-N 3.34Å; T304-L306 PolarHBondContact O-N 2.95Å; L306-L308 PolarHBondContact O-N 3.49Å; L306-E309 PolarHBondContact O-N 3.4Å; L306-A310 VanDerWaalsContact O-CB 3.26Å; L306-A310 WeakPolarHBondContact O-CB 3.31Å; L306-A310 PolarHBondContact O-N 3.42Å
307M96.1Very high92.7Very high0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-57.9-48.8178.4-76.9-66.1-67.800111.4I173 H175 V188 Y191 Y214 M303 T304 A310 I311I173-M307 HydrophobicContact CG2-CE 3.88Å; I173-M307 HydrophobicContact CG2-CG 4.1Å; I173-M307 HydrophobicContact CG2-SD 3.77Å; H175-M307 HydrophobicContact CB-CE 4.3Å; H175-M307 HydrophobicContact CB-SD 3.71Å; V188-M307 HydrophobicContact CG1-CE 4.22Å; Y191-M307 HydrophobicContact CD1-CB 3.95Å; Y191-M307 HydrophobicContact CD2-CB 4.16Å; Y191-M307 HydrophobicContact CD2-CE 3.89Å; Y191-M307 HydrophobicContact CD2-CG 4.18Å; Y191-M307 HydrophobicContact CE1-CB 4.31Å; Y191-M307 HydrophobicContact CE2-CB 4.48Å; Y191-M307 HydrophobicContact CE2-CG 4.29Å; Y191-M307 HydrophobicContact CG-CB 3.88Å; Y191-M307 HydrophobicContact CG-CE 4.24Å; Y191-M307 HydrophobicContact CG-CG 4.4Å; Y214-M307 HydrophobicContact CE2-SD 4.06Å; M303-M307 HydrophobicContact CG-CG 4.2Å; M303-M307 WeakPolarHBondContact O-CB 2.88Å; M303-M307 WeakPolarHBondContact O-CG 3.36Å; M303-M307 PolarHBondContact O-N 3.43Å; T304-M307 PolarHBondContact O-N 3.04Å; M307-A310 PolarHBondContact O-N 3.46Å; M307-I311 HydrophobicContact CE-CD1 4.14Å; M307-I311 WeakPolarHBondContact O-CB 3.4Å; M307-I311 WeakPolarHBondContact O-CD1 3.2Å; M307-I311 WeakPolarHBondContact O-CG1 3.35Å; M307-I311 PolarHBondContact O-N 3.47Å
308L96.6Very high91.2Very high2 Ų252.3 Ų52.31%0.0127%0.272CS..Hα-helixtrans-62.5-50.4179.6-66173.9000111.4Y191 V195 Y258 Y259 T304 K305 L306 A310 I311 E312Y191-L308 HydrophobicContact CD1-CD2 3.95Å; Y191-L308 HydrophobicContact CD1-CG 4.17Å; V195-L308 HydrophobicContact CG2-CD2 3.64Å; Y258-L308 HydrophobicContact CD2-CD1 3.75Å; Y258-L308 HydrophobicContact CG-CD1 3.74Å; Y259-L308 HydrophobicContact CD2-CD1 4.02Å; Y259-L308 HydrophobicContact CD2-CD2 4.16Å; Y259-L308 HydrophobicContact CE2-CB 4.45Å; Y259-L308 HydrophobicContact CE2-CD1 4.01Å; Y259-L308 HydrophobicContact CE2-CD2 3.84Å; Y259-L308 HydrophobicContact CE2-CG 4.32Å; T304-L308 HydrophobicContact CG2-CD1 3.86Å; T304-L308 HydrophobicContact CG2-CG 4.43Å; T304-L308 VanDerWaalsContact O-CG 3.31Å; T304-L308 WeakPolarHBondContact O-CG 3.41Å; T304-L308 PolarHBondContact O-N 3.13Å; K305-L308 PolarHBondContact O-N 3.09Å; L306-L308 PolarHBondContact O-N 3.49Å; L308-A310 VanDerWaalsContact C-N 3.32Å; L308-A310 PolarHBondContact O-N 3.09Å; L308-I311 PolarHBondContact O-N 3.12Å; L308-E312 WeakPolarHBondContact O-CB 3.5Å; L308-E312 VanDerWaalsContact O-CG 3.28Å; L308-E312 WeakPolarHBondContact O-CG 3.48Å; L308-E312 PolarHBondContact O-N 3.17Å
309E96Very high89.5Confident84 Ų8456 Ų5639%0.39330%0.296SS..Hα-helixtrans-58.7-42.5179.4-73.3177.417200112K305 L306 Q313K305-E309 WeakPolarHBondContact CE-OE1 3.37Å; K305-E309 IonicContact NZ-OE1 3.88Å; K305-E309 WeakPolarHBondContact O-CB 3.41Å; K305-E309 WeakPolarHBondContact O-CG 3.29Å; K305-E309 PolarHBondContact O-N 3.42Å; L306-E309 PolarHBondContact O-N 3.4Å; E309-Q313 VanDerWaalsContact O-CG 3.27Å; E309-Q313 WeakPolarHBondContact O-CG 3.48Å; E309-Q313 PolarHBondContact O-N 2.84Å; E309-Q313 VanDerWaalsContact O-N 3.16Å
310A93.8Very high87.7Confident19 Ų1957.8 Ų57.816%0.15731%0.306CS..Hα-helixtrans-69.7-38.5-179.300000112.7H175 L306 M307 L308 K314H175-A310 HydrophobicContact CB-CB 3.81Å; H175-A310 VanDerWaalsContact CD2-CB 3.42Å; H175-A310 WeakPolarHBondContact CD2-CB 3.37Å; H175-A310 VanDerWaalsContact CG-CB 3.49Å; L306-A310 VanDerWaalsContact O-CB 3.26Å; L306-A310 WeakPolarHBondContact O-CB 3.31Å; L306-A310 PolarHBondContact O-N 3.42Å; M307-A310 PolarHBondContact O-N 3.46Å; L308-A310 VanDerWaalsContact C-N 3.32Å; L308-A310 PolarHBondContact O-N 3.09Å; A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.25Å
311I92.7Very high85.3Confident0 Ų065.5 Ų65.50%035%0.347CS..Hα-helixtrans-69.6-43.9178.2-67166.1000110.6F192 V195 M307 L308 Q313 K314 D315F192-I311 HydrophobicContact CD1-CB 4.5Å; F192-I311 HydrophobicContact CD1-CD1 3.98Å; F192-I311 HydrophobicContact CD1-CG1 3.97Å; F192-I311 HydrophobicContact CD1-CG2 3.7Å; F192-I311 HydrophobicContact CD2-CD1 3.88Å; F192-I311 HydrophobicContact CE1-CB 4.42Å; F192-I311 HydrophobicContact CE1-CD1 4.07Å; F192-I311 HydrophobicContact CE1-CG1 3.69Å; F192-I311 HydrophobicContact CE1-CG2 3.99Å; F192-I311 HydrophobicContact CE2-CD1 3.95Å; F192-I311 HydrophobicContact CE2-CG1 4.26Å; F192-I311 HydrophobicContact CG-CD1 3.89Å; F192-I311 HydrophobicContact CG-CG1 4.39Å; F192-I311 HydrophobicContact CG-CG2 4.45Å; F192-I311 HydrophobicContact CZ-CD1 4.05Å; F192-I311 HydrophobicContact CZ-CG1 3.84Å; V195-I311 HydrophobicContact CB-CG2 3.9Å; V195-I311 HydrophobicContact CG1-CG2 4Å; V195-I311 HydrophobicContact CG2-CB 4.28Å; V195-I311 HydrophobicContact CG2-CG2 3.98Å; M307-I311 HydrophobicContact CE-CD1 4.14Å; M307-I311 WeakPolarHBondContact O-CB 3.4Å; M307-I311 WeakPolarHBondContact O-CD1 3.2Å; M307-I311 WeakPolarHBondContact O-CG1 3.35Å; M307-I311 PolarHBondContact O-N 3.47Å; L308-I311 PolarHBondContact O-N 3.12Å; I311-Q313 VanDerWaalsContact C-N 3.3Å; I311-Q313 PolarHBondContact O-N 3.15Å; I311-K314 PolarHBondContact O-N 3.41Å; I311-K314 VanDerWaalsContact O-N 3.16Å; I311-D315 PolarHBondContact O-N 3.07Å
312E93Very high84.7Confident77 Ų7766.3 Ų66.336%0.3634%0.343SS..Hα-helixtrans-56.3-44.9175.4-75.3170.4-168.300111.8V195 Y259 L308 T316V195-E312 HydrophobicContact CG1-CG 3.88Å; V195-E312 HydrophobicContact CG2-CG 4.37Å; Y259-E312 WeakPolarHBondContact OH-CG 3.43Å; Y259-E312 PolarHBondContact OH-OE1 3.3Å; L308-E312 WeakPolarHBondContact O-CB 3.5Å; L308-E312 VanDerWaalsContact O-CG 3.28Å; L308-E312 WeakPolarHBondContact O-CG 3.48Å; L308-E312 PolarHBondContact O-N 3.17Å; E312-T316 WeakPolarHBondContact O-CB 3.41Å; E312-T316 PolarHBondContact O-N 3.12Å; E312-T316 PolarHBondContact O-OG1 2.98Å
313Q91.6Very high84Confident132 Ų13267.3 Ų67.362%0.61735%0.345SS*.Hα-helixtrans-62.7-45.4176.4-73.2174.428.700111.5E309 I311 D315 T316 V317E309-Q313 VanDerWaalsContact O-CG 3.27Å; E309-Q313 WeakPolarHBondContact O-CG 3.48Å; E309-Q313 PolarHBondContact O-N 2.84Å; E309-Q313 VanDerWaalsContact O-N 3.16Å; I311-Q313 VanDerWaalsContact C-N 3.3Å; I311-Q313 PolarHBondContact O-N 3.15Å; Q313-D315 PolarHBondContact O-N 3.11Å; Q313-T316 PolarHBondContact O-N 3.37Å; Q313-V317 WeakPolarHBondContact O-CG2 3.47Å; Q313-V317 PolarHBondContact O-N 3.46Å; Q313-V317 VanDerWaalsContact O-N 3.12Å
314K85.5Confident83.3Confident66 Ų6671.1 Ų71.129%0.28736%0.364SS..Hα-helixtrans-61.4-43-179.6-172.3171.9-179.1176.50112.3V176 A310 I311 V317 K318V176-K314 PolarHBondContact O-NZ 2.84Å; A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.25Å; I311-K314 PolarHBondContact O-N 3.41Å; I311-K314 VanDerWaalsContact O-N 3.16Å; K314-V317 PolarHBondContact O-N 3.2Å; K314-K318 PolarHBondContact O-N 3.23Å
315D80.1Confident82.4Confident22 Ų2275.2 Ų75.212%0.11839%0.385CS..Hα-helixtrans-77.9-30-178.8-72.2-12.2000112.5R196 I311 Q313 V317 K318 N319R196-D315 WeakPolarHBondContact CG-OD2 3.43Å; R196-D315 IonicContact CZ-OD1 3.56Å; R196-D315 IonicContact CZ-OD2 3.67Å; R196-D315 IonicContact NE-OD1 2.7Å; R196-D315 PolarHBondContact NE-OD1 3.47Å; R196-D315 IonicContact NE-OD2 3.38Å; R196-D315 PolarHBondContact NE-OD2 3.2Å; R196-D315 IonicContact NH2-OD1 3.58Å; R196-D315 PolarHBondContact NH2-OD1 2.86Å; R196-D315 IonicContact NH2-OD2 3.91Å; I311-D315 PolarHBondContact O-N 3.07Å; Q313-D315 PolarHBondContact O-N 3.11Å; D315-V317 VanDerWaalsContact C-N 3.32Å; D315-V317 PolarHBondContact O-N 2.85Å; D315-K318 PolarHBondContact O-N 3.19Å; D315-N319 PolarHBondContact O-N 3.35Å; D315-N319 VanDerWaalsContact O-N 3.09Å; D315-N319 PolarHBondContact O-ND2 2.89Å
316T78.3Confident81.5Confident82 Ų8274.1 Ų74.150%0.50338%0.384SS..Hα-helixtrans-62.4-40.4170.8-580000111.4E312 Q313 N319 N320E312-T316 WeakPolarHBondContact O-CB 3.41Å; E312-T316 PolarHBondContact O-N 3.12Å; E312-T316 PolarHBondContact O-OG1 2.98Å; Q313-T316 PolarHBondContact O-N 3.37Å; T316-N319 PolarHBondContact O-N 3.47Å; T316-N320 PolarHBondContact O-N 3Å; T316-N320 PolarHBondContact O-ND2 2.73Å; T316-N320 VanDerWaalsContact O-ND2 3.15Å
317V69.1Low80.5Confident89 Ų8976.3 Ų76.354%0.53940%0.395SS..Hα-helixtrans-66.2-39.1176.5173.40000111.4Q313 K314 D315 N319 N320Q313-V317 WeakPolarHBondContact O-CG2 3.47Å; Q313-V317 PolarHBondContact O-N 3.46Å; Q313-V317 VanDerWaalsContact O-N 3.12Å; K314-V317 PolarHBondContact O-N 3.2Å; D315-V317 VanDerWaalsContact C-N 3.32Å; D315-V317 PolarHBondContact O-N 2.85Å; V317-N319 PolarHBondContact O-N 2.51Å; V317-N320 PolarHBondContact O-N 2.85Å
318K64.4Low79.4Confident116 Ų11681.7 Ų81.750%0.50442%0.423SS..Hα-helixtrans-65.9-34.8177.2-78.6-176.5176.5179.70113.6K314 D315 N320K314-K318 PolarHBondContact O-N 3.23Å; D315-K318 PolarHBondContact O-N 3.19Å; K318-N320 VanDerWaalsContact C-N 3.3Å; K318-N320 PolarHBondContact O-N 2.96Å
319N63.5Low78Confident137 Ų13787.8 Ų87.873%0.73346%0.455SS*.Hα-helixtrans-77.9-14179.8-72.4-28000113.9D315 T316 V317D315-N319 PolarHBondContact O-N 3.35Å; D315-N319 VanDerWaalsContact O-N 3.09Å; D315-N319 PolarHBondContact O-ND2 2.89Å; T316-N319 PolarHBondContact O-N 3.47Å; V317-N319 PolarHBondContact O-N 2.51Å
320N57.8Low76.5Confident127 Ų12788.2 Ų88.268%0.67946%0.46SS*.THydrogen-bonded Turntrans-102-2.8-178.3-72.7-29.9000114.1T316 V317 K318T316-N320 PolarHBondContact O-N 3Å; T316-N320 PolarHBondContact O-ND2 2.73Å; T316-N320 VanDerWaalsContact O-ND2 3.15Å; V317-N320 PolarHBondContact O-N 2.85Å; K318-N320 VanDerWaalsContact C-N 3.3Å; K318-N320 PolarHBondContact O-N 2.96Å
321N48.6Very low75Confident191 Ų19194.5 Ų94.5100%1.02149%0.487SS*.  trans-111.60175.7-75.9-23.6000110.8

Retrieved 321 of 321 residues in 1497.5 ms (Link to these results)

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