A0A087Y6A1_POEFO Loading...

Estradiol 17-beta-dehydrogenase

Favors the reduction of estrogens and androgens. Uses preferentially NADH.

AlphaFold DB , UniProt , Accession A0A087Y6A1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.7Very low83.7Confident239 Ų23974 Ų74100%1.17738%0.377SS*.  0122.50-72.7170.716400106.5M3M1-M3 PolarHBondContact O-N 3.03Å
2S49.5Very low84.9Confident123 Ų12369.6 Ų69.686%0.8636%0.364SS*.PPolyproline II helixtrans-66.7128.6174.269.10000107.4E4S2-E4 PolarHBondContact O-N 3.46Å
3M64.5Low85.9Confident167 Ų16764.2 Ų64.282%0.82334%0.336SS*.PPolyproline II helixtrans-57.8136.9169.7-91.3-172.1-88.500108.1M1 K5M1-M3 PolarHBondContact O-N 3.03Å; M3-K5 PolarHBondContact O-N 3.48Å
4E84.6Confident86.6Confident137 Ų13762 Ų6264%0.6433%0.328SS*.PPolyproline II helixtrans-65134.4174.5-154.8179.7-178.700108.6S2 R84S2-E4 PolarHBondContact O-N 3.46Å; E4-R84 VanDerWaalsContact CD-CZ 3.47Å; E4-R84 VanDerWaalsContact CG-NH2 3.32Å; E4-R84 IonicContact OE1-CZ 2.9Å; E4-R84 IonicContact OE1-NH1 3.39Å; E4-R84 PolarHBondContact OE1-NH1 3.29Å; E4-R84 IonicContact OE1-NH2 2.72Å; E4-R84 PolarHBondContact OE1-NH2 3.19Å; E4-R84 IonicContact OE2-CZ 3.33Å; E4-R84 VanDerWaalsContact OE2-CZ 3.29Å; E4-R84 IonicContact OE2-NH1 3.41Å; E4-R84 PolarHBondContact OE2-NH1 3.28Å; E4-R84 IonicContact OE2-NH2 3.29Å; E4-R84 PolarHBondContact OE2-NH2 3.41Å
5K91.9Very high87.1Confident52 Ų5259.5 Ų59.523%0.22632%0.318CS..PPolyproline II helixtrans-63.7142.1-177.5-64-178.2-179.4178.90109.9M3 V32 K34 D58M3-K5 PolarHBondContact O-N 3.48Å; K5-V32 CarbonylContact C-O 3.51Å; K5-V32 WeakPolarHBondContact CA-O 3.39Å; K5-K34 HydrophobicContact CB-CB 4.07Å; K5-K34 HydrophobicContact CD-CB 4.09Å; K5-D58 PolarHBondContact NZ-O 2.9Å; K5-D58 VanDerWaalsContact NZ-O 3.07Å; K5-D58 IonicContact NZ-OD2 3.76Å; K5-D58 PolarHBondContact NZ-OD2 3.04Å
6K96.4Very high87.6Confident93 Ų9356.2 Ų56.240%0.40430%0.302SS..EExtended strand (participates in β ladder)trans-72.4123.3166.5-68.8-175.9179179.20108.9V32 F33 K34 D86 I87K6-V32 PolarHBondContact N-O 3.2Å; K6-F33 HydrophobicContact CB-CD1 3.97Å; K6-F33 HydrophobicContact CB-CE1 4.28Å; K6-F33 HydrophobicContact CD-CE1 4.19Å; K6-F33 WeakPolarHBondContact O-CA 3.33Å; K6-K34 PolarHBondContact O-N 2.94Å; K6-D86 WeakPolarHBondContact CA-OD2 3.32Å; K6-D86 HydrophobicContact CB-CB 4.43Å; K6-I87 HydrophobicContact CD-CD1 4.47Å
7V98.4Very high88.2Confident0 Ų053.9 Ų53.90%029%0.29CS..EExtended strand (participates in β ladder)trans-85.5119-179.3-177.10000109.5K34 Y36 V80 E82 R84 V85 D86 I87V7-K34 WeakPolarHBondContact CA-O 3.34Å; V7-Y36 HydrophobicContact CG1-CD2 3.75Å; V7-Y36 HydrophobicContact CG1-CE2 3.66Å; V7-V80 HydrophobicContact CG1-CG1 3.99Å; V7-E82 HydrophobicContact CG2-CB 3.76Å; V7-E82 HydrophobicContact CG2-CG 3.64Å; V7-R84 WeakPolarHBondContact CB-O 3.28Å; V7-R84 VanDerWaalsContact CG1-O 3.25Å; V7-R84 WeakPolarHBondContact CG1-O 3.4Å; V7-R84 HydrophobicContact CG2-CG 4.28Å; V7-V85 HydrophobicContact CG1-CG2 4.45Å; V7-D86 PolarHBondContact N-OD2 2.8Å; V7-D86 PolarHBondContact O-N 3.04Å; V7-I87 PolarHBondContact O-N 2.91Å
8V98.8Very high88.7Confident0 Ų050.9 Ų50.90%027%0.274CS..EExtended strand (participates in β ladder)trans-111.1130.2179.3-168.60000109I10 L25 F33 K34 V35 Y36 I87 V89V8-I10 HydrophobicContact CG1-CD1 4.18Å; V8-I10 HydrophobicContact CG1-CG1 3.8Å; V8-L25 HydrophobicContact CG1-CD1 3.96Å; V8-L25 HydrophobicContact CG2-CD1 4.4Å; V8-F33 HydrophobicContact CG2-CB 4.36Å; V8-F33 HydrophobicContact CG2-CD1 3.69Å; V8-F33 HydrophobicContact CG2-CE1 4.44Å; V8-F33 HydrophobicContact CG2-CG 4.36Å; V8-K34 PolarHBondContact N-O 3.38Å; V8-V35 HydrophobicContact CB-CG2 4.48Å; V8-V35 CarbonylContact O-C 3.59Å; V8-V35 WeakPolarHBondContact O-CA 3.46Å; V8-Y36 PolarHBondContact O-N 3.49Å; V8-I87 CarbonylContact C-O 3.57Å; V8-I87 VanDerWaalsContact CA-O 3.28Å; V8-I87 WeakPolarHBondContact CA-O 3.3Å; V8-I87 HydrophobicContact CB-CB 4.45Å; V8-I87 HydrophobicContact CG1-CB 4.1Å; V8-I87 HydrophobicContact CG1-CG2 4.06Å; V8-I87 HydrophobicContact CG2-CB 4.18Å; V8-I87 HydrophobicContact CG2-CD1 4.04Å; V8-V89 HydrophobicContact CG1-CG2 4.28Å
9L98.9Very high89.2Confident0 Ų048.6 Ų48.60%026%0.261CS..EExtended strand (participates in β ladder)trans-116.8126.7169.1-172.6146.6000109.7T11 Y36 T38 M65 V80 V85 I87 L88 V89 F126L9-T11 HydrophobicContact CD2-CG2 4.14Å; L9-Y36 WeakPolarHBondContact CA-O 3.44Å; L9-T38 HydrophobicContact CD1-CG2 4.25Å; L9-T38 HydrophobicContact CD2-CG2 4.05Å; L9-T38 HydrophobicContact CG-CG2 3.94Å; L9-M65 HydrophobicContact CD2-CE 4.16Å; L9-M65 HydrophobicContact CD2-SD 4.48Å; L9-V80 HydrophobicContact CD1-CG2 4.15Å; L9-V85 HydrophobicContact CB-CG1 3.98Å; L9-V85 HydrophobicContact CB-CG2 4.27Å; L9-I87 PolarHBondContact N-O 3.38Å; L9-L88 HydrophobicContact CB-CD1 4.24Å; L9-L88 HydrophobicContact CD2-CD1 3.62Å; L9-V89 PolarHBondContact O-N 2.75Å; L9-F126 HydrophobicContact CD1-CE1 3.87Å; L9-F126 HydrophobicContact CD1-CE2 4.21Å; L9-F126 HydrophobicContact CD1-CZ 3.45Å; L9-F126 VanDerWaalsContact CD1-CZ 3.45Å; L9-F126 HydrophobicContact CD2-CE2 4.26Å; L9-F126 HydrophobicContact CD2-CZ 4.32Å; L9-F126 HydrophobicContact CG-CZ 4.48Å
10I98.9Very high89.6Confident0 Ų047.1 Ų47.10%025%0.254CS..EExtended strand (participates in β ladder)trans-121.8133.6-176.3-49.6173.7000109.2V8 C13 L21 A22 L25 V35 Y36 T38 V89V8-I10 HydrophobicContact CG1-CD1 4.18Å; V8-I10 HydrophobicContact CG1-CG1 3.8Å; I10-C13 VanDerWaalsContact CB-SG 3.52Å; I10-C13 WeakPolarHBondContact CG2-SG 3.5Å; I10-C13 PolarHBondContact O-SG 3.26Å; I10-L21 HydrophobicContact CD1-CB 4.42Å; I10-L21 HydrophobicContact CD1-CD2 4.14Å; I10-L21 HydrophobicContact CD1-CG 3.98Å; I10-A22 HydrophobicContact CD1-CB 3.98Å; I10-L25 HydrophobicContact CD1-CD1 4.12Å; I10-V35 HydrophobicContact CD1-CG1 3.94Å; I10-V35 HydrophobicContact CG1-CG1 4.49Å; I10-Y36 PolarHBondContact N-O 3.29Å; I10-T38 WeakPolarHBondContact O-CA 3.34Å; I10-T38 WeakPolarHBondContact O-CB 3.27Å; I10-T38 PolarHBondContact O-N 3.3Å; I10-T38 PolarHBondContact O-OG1 2.78Å; I10-V89 HydrophobicContact CB-CB 4.23Å; I10-V89 HydrophobicContact CG1-CB 4.01Å; I10-V89 HydrophobicContact CG1-CG2 4.04Å; I10-V89 HydrophobicContact CG2-CB 4.01Å; I10-V89 HydrophobicContact CG2-CG1 4.1Å
11T98.8Very high90Very high3 Ų344.9 Ų44.92%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-96.5139.2176.663.50000112.3L9 T38 M65 V67 V89 C90 N91 A92 T122L9-T11 HydrophobicContact CD2-CG2 4.14Å; T11-T38 WeakPolarHBondContact CA-OG1 3.47Å; T11-M65 HydrophobicContact CG2-CE 3.18Å; T11-V67 HydrophobicContact CG2-CG1 4.26Å; T11-V89 PolarHBondContact N-O 2.83Å; T11-V89 PolarHBondContact OG1-O 3.19Å; T11-C90 WeakPolarHBondContact OG1-CA 3.37Å; T11-N91 VanDerWaalsContact O-CB 3.27Å; T11-N91 WeakPolarHBondContact O-CB 3.36Å; T11-N91 PolarHBondContact O-ND2 3.35Å; T11-N91 PolarHBondContact OG1-N 3.45Å; T11-A92 PolarHBondContact O-N 2.82Å; T11-A92 PolarHBondContact OG1-N 2.9Å; T11-A92 VanDerWaalsContact OG1-N 3.07Å; T11-T122 HydrophobicContact CG2-CG2 4.07Å
12G97.8Very high92.8Very high21 Ų2133.5 Ų33.522%0.21619%0.186CC..  trans75.549.2176.300000114.1T38 N91G12-T38 PolarHBondContact N-O 3.22Å; G12-N91 PolarHBondContact O-ND2 2.88Å
13C97.9Very high95Very high0 Ų028.8 Ų28.80%015%0.153CC..THydrogen-bonded Turntrans-9113.5-176.9-61.30000115.3I10 S15 G18 L19 A37 T38 L48I10-C13 VanDerWaalsContact CB-SG 3.52Å; I10-C13 WeakPolarHBondContact CG2-SG 3.5Å; I10-C13 PolarHBondContact O-SG 3.26Å; C13-S15 VanDerWaalsContact C-N 3.31Å; C13-G18 PolarHBondContact SG-O 3.39Å; C13-L19 WeakPolarHBondContact O-CB 3.34Å; C13-A37 HydrophobicContact CB-CB 3.86Å; C13-T38 PolarHBondContact N-O 3.46Å; C13-L48 HydrophobicContact CB-CD2 4.43Å
14S95.7Very high96.5Very high33 Ų3324.2 Ų24.223%0.23113%0.126CC..THydrogen-bonded Turntrans-74.7-21.6179.356.40000113.5
15S94.8Very high97.1Very high24 Ų2417.8 Ų17.817%0.16810%0.096CC..SBendtrans-165176.5-179.256.40000111.1C13 L19 D192C13-S15 VanDerWaalsContact C-N 3.31Å; S15-L19 PolarHBondContact O-N 3.26Å; S15-D192 WeakPolarHBondContact CB-OD2 3.48Å
16G95.6Very high97.2Very high7 Ų715.4 Ų15.47%0.0729%0.086CC..Hα-helixtrans59.2-147.3171.600000114.1G18 L19 S20G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.09Å; G16-L19 PolarHBondContact O-N 3.33Å; G16-L19 VanDerWaalsContact O-N 3.15Å; G16-S20 PolarHBondContact O-N 3.05Å; G16-S20 PolarHBondContact O-OG 3.37Å
17I97.3Very high97.1Very high18 Ų1813.1 Ų13.19%0.0928%0.082CC..Hα-helixtrans-53.5-46.7-175.3-61.2163.4000111.7L19 S20 L21 T141 V189 I239 F243I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 2.83Å; I17-S20 PolarHBondContact O-N 2.83Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 PolarHBondContact O-N 3.16Å; I17-T141 HydrophobicContact CD1-CG2 4.04Å; I17-V189 HydrophobicContact CD1-CG2 4.43Å; I17-V189 HydrophobicContact CG1-CG1 4.36Å; I17-I239 HydrophobicContact CD1-CG2 3.94Å; I17-I239 HydrophobicContact CG1-CB 4.42Å; I17-I239 HydrophobicContact CG1-CG2 4.03Å; I17-I239 HydrophobicContact CG2-CG2 4.03Å; I17-F243 HydrophobicContact CG2-CD2 4.21Å; I17-F243 HydrophobicContact CG2-CE2 3.64Å; I17-F243 HydrophobicContact CG2-CZ 4.31Å
18G97.9Very high96.7Very high0 Ų014 Ų140%09%0.087CC..Hα-helixtrans-64.4-34.3-177.300000113.5C13 G16 A22 N91C13-G18 PolarHBondContact SG-O 3.39Å; G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.09Å; G18-A22 VanDerWaalsContact O-CB 3.28Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3.15Å; G18-N91 WeakPolarHBondContact CA-ND2 3.3Å; G18-N91 PolarHBondContact N-ND2 2.86Å
19L97.4Very high96.3Very high6 Ų619.5 Ų19.53%0.03113%0.125CC..Hα-helixtrans-69.7-52.7173.7-176.6155.1000110.2C13 S15 G16 I17 L21 A22 V23 R47 L48C13-L19 WeakPolarHBondContact O-CB 3.34Å; S15-L19 PolarHBondContact O-N 3.26Å; G16-L19 PolarHBondContact O-N 3.33Å; G16-L19 VanDerWaalsContact O-N 3.15Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 2.83Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.2Å; L19-A22 PolarHBondContact O-N 3.33Å; L19-A22 VanDerWaalsContact O-N 3.16Å; L19-V23 HydrophobicContact CD2-CG2 4.02Å; L19-V23 WeakPolarHBondContact O-CG2 3.36Å; L19-V23 PolarHBondContact O-N 2.84Å; L19-R47 HydrophobicContact CD1-CB 4.12Å; L19-R47 HydrophobicContact CD1-CG 3.76Å; L19-L48 HydrophobicContact CD1-CB 4.22Å; L19-L48 HydrophobicContact CG-CB 4.41Å; L19-L48 HydrophobicContact CG-CD1 4.11Å
20S97.1Very high95.8Very high18 Ų1822.9 Ų22.913%0.12615%0.149CC..Hα-helixtrans-59.9-43.2-177.2-54.90000111.5G16 I17 A22 V23 R24 T236G16-S20 PolarHBondContact O-N 3.05Å; G16-S20 PolarHBondContact O-OG 3.37Å; I17-S20 PolarHBondContact O-N 2.83Å; S20-A22 PolarHBondContact O-N 2.96Å; S20-V23 PolarHBondContact O-N 2.89Å; S20-R24 VanDerWaalsContact O-CB 3.29Å; S20-R24 WeakPolarHBondContact O-CB 3.48Å; S20-R24 PolarHBondContact O-N 3.47Å; S20-T236 WeakPolarHBondContact OG-CB 3.3Å; S20-T236 PolarHBondContact OG-OG1 3.33Å
21L98.4Very high95.3Very high1 Ų127 Ų271%0.00517%0.166CC..Hα-helixtrans-63.9-41.9176.4-17661.2000112.3I10 I17 L19 R24 L25 V89 V240 F243I10-L21 HydrophobicContact CD1-CB 4.42Å; I10-L21 HydrophobicContact CD1-CD2 4.14Å; I10-L21 HydrophobicContact CD1-CG 3.98Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 PolarHBondContact O-N 3.16Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.2Å; L21-R24 PolarHBondContact O-N 3.2Å; L21-L25 HydrophobicContact CD1-CD1 3.86Å; L21-L25 HydrophobicContact CD1-CG 4.02Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.27Å; L21-L25 PolarHBondContact O-N 3.05Å; L21-V89 HydrophobicContact CD2-CG1 3.96Å; L21-V89 HydrophobicContact CD2-CG2 4.15Å; L21-V240 HydrophobicContact CB-CG2 4.05Å; L21-V240 HydrophobicContact CD1-CG1 4.09Å; L21-F243 HydrophobicContact CD1-CB 3.76Å; L21-F243 HydrophobicContact CD1-CG 4.34Å; L21-F243 HydrophobicContact CD2-CB 4.12Å; L21-F243 HydrophobicContact CD2-CD1 3.74Å; L21-F243 HydrophobicContact CD2-CD2 4.43Å; L21-F243 HydrophobicContact CD2-CE1 4.27Å; L21-F243 HydrophobicContact CD2-CG 3.84Å
22A97.8Very high95.1Very high0 Ų029 Ų290%018%0.179CC..Hα-helixtrans-62.6-44.4178.200000111.7I10 G18 L19 S20 A26 V35 A37 L48 L60I10-A22 HydrophobicContact CD1-CB 3.98Å; G18-A22 VanDerWaalsContact O-CB 3.28Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3.15Å; L19-A22 PolarHBondContact O-N 3.33Å; L19-A22 VanDerWaalsContact O-N 3.16Å; S20-A22 PolarHBondContact O-N 2.96Å; A22-A26 WeakPolarHBondContact O-CB 3.34Å; A22-A26 PolarHBondContact O-N 3.18Å; A22-A26 VanDerWaalsContact O-N 3.08Å; A22-V35 HydrophobicContact CB-CG1 4.09Å; A22-A37 HydrophobicContact CB-CB 3.93Å; A22-L48 HydrophobicContact CB-CD1 4.37Å; A22-L60 HydrophobicContact CB-CD1 4.28Å
23V96Very high95Very high25 Ų2528 Ų2815%0.15217%0.169CC..Hα-helixtrans-61.4-54.2174.8175.50000109.5L19 S20 L25 A26 S27 L48 C51 V52 L55L19-V23 HydrophobicContact CD2-CG2 4.02Å; L19-V23 WeakPolarHBondContact O-CG2 3.36Å; L19-V23 PolarHBondContact O-N 2.84Å; S20-V23 PolarHBondContact O-N 2.89Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 3.26Å; V23-A26 PolarHBondContact O-N 3.43Å; V23-A26 VanDerWaalsContact O-N 3.1Å; V23-S27 WeakPolarHBondContact O-CB 3.29Å; V23-S27 PolarHBondContact O-N 3.04Å; V23-S27 PolarHBondContact O-OG 3.26Å; V23-L48 HydrophobicContact CG2-CD1 3.65Å; V23-C51 HydrophobicContact CG1-CB 4.24Å; V23-C51 HydrophobicContact CG2-CB 3.59Å; V23-V52 HydrophobicContact CG2-CG1 3.95Å; V23-L55 HydrophobicContact CG1-CD1 4.4Å
24R96.4Very high95Very high71 Ų7129 Ų2927%0.26817%0.173SC..Hα-helixtrans-56.4-42.5-176.1179.364.1177.5783.6113.7S20 L21 D28 V240 E241 L244S20-R24 VanDerWaalsContact O-CB 3.29Å; S20-R24 WeakPolarHBondContact O-CB 3.48Å; S20-R24 PolarHBondContact O-N 3.47Å; L21-R24 PolarHBondContact O-N 3.2Å; R24-D28 IonicContact NH1-OD2 2.93Å; R24-D28 PolarHBondContact O-N 3.32Å; R24-V240 HydrophobicContact CB-CG1 3.72Å; R24-V240 HydrophobicContact CG-CG1 3.55Å; R24-E241 IonicContact NE-OE1 3.56Å; R24-E241 IonicContact NH2-OE1 3.66Å; R24-L244 HydrophobicContact CG-CD1 3.9Å; R24-L244 VanDerWaalsContact CZ-CD1 3.45Å; R24-L244 VanDerWaalsContact NH2-CD1 3.31Å
25L96.6Very high95.1Very high2 Ų227.5 Ų27.51%0.0116%0.162CC..Hα-helixtrans-72.6-38.6177.8-70.5172.5000112.1V8 I10 L21 V23 D28 F33 V35 L244 I247V8-L25 HydrophobicContact CG1-CD1 3.96Å; V8-L25 HydrophobicContact CG2-CD1 4.4Å; I10-L25 HydrophobicContact CD1-CD1 4.12Å; L21-L25 HydrophobicContact CD1-CD1 3.86Å; L21-L25 HydrophobicContact CD1-CG 4.02Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.27Å; L21-L25 PolarHBondContact O-N 3.05Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 3.26Å; L25-D28 WeakPolarHBondContact O-CB 3.49Å; L25-D28 PolarHBondContact O-N 3.19Å; L25-F33 HydrophobicContact CB-CB 4.47Å; L25-F33 HydrophobicContact CB-CD2 4.32Å; L25-F33 HydrophobicContact CB-CG 4.42Å; L25-F33 HydrophobicContact CD2-CD1 4.37Å; L25-F33 HydrophobicContact CD2-CD2 3.76Å; L25-F33 HydrophobicContact CD2-CE1 4.25Å; L25-F33 HydrophobicContact CD2-CE2 3.62Å; L25-F33 HydrophobicContact CD2-CG 4.15Å; L25-F33 HydrophobicContact CD2-CZ 3.88Å; L25-V35 HydrophobicContact CB-CG2 3.64Å; L25-L244 HydrophobicContact CD2-CD2 3.52Å; L25-L244 HydrophobicContact CG-CD2 4.38Å; L25-I247 HydrophobicContact CD1-CD1 4.02Å; L25-I247 HydrophobicContact CD2-CD1 4.06Å
26A95.1Very high95.3Very high1 Ų126.3 Ų26.31%0.00815%0.154CC..Hα-helixtrans-72.2-30.1178.200000113.3A22 V23 D28 V35 T59 L60A22-A26 WeakPolarHBondContact O-CB 3.34Å; A22-A26 PolarHBondContact O-N 3.18Å; A22-A26 VanDerWaalsContact O-N 3.08Å; V23-A26 PolarHBondContact O-N 3.43Å; V23-A26 VanDerWaalsContact O-N 3.1Å; A26-D28 VanDerWaalsContact C-N 3.27Å; A26-V35 HydrophobicContact CB-CB 4.47Å; A26-V35 HydrophobicContact CB-CG2 4.15Å; A26-T59 WeakPolarHBondContact O-CB 3.21Å; A26-T59 PolarHBondContact O-OG1 2.87Å; A26-L60 HydrophobicContact CB-CB 3.75Å; A26-L60 HydrophobicContact CB-CD1 3.77Å; A26-L60 HydrophobicContact CB-CG 4.38Å
27S92.8Very high95.4Very high45 Ų4526 Ų2632%0.31515%0.15SC..THydrogen-bonded Turntrans-79.9-4.6175.4-56.50000113.9V23 S29 L55V23-S27 WeakPolarHBondContact O-CB 3.29Å; V23-S27 PolarHBondContact O-N 3.04Å; V23-S27 PolarHBondContact O-OG 3.26Å; S27-S29 PolarHBondContact O-N 2.87Å; S27-L55 WeakPolarHBondContact OG-CD1 3.37Å; S27-L55 WeakPolarHBondContact OG-CD2 3.34Å
28D91.4Very high95.5Very high20 Ų2025.2 Ų25.211%0.10715%0.146CC..  trans-56.9127-174.3-176.1-93.4000111.5R24 L25 A26 S30 K31 F33R24-D28 IonicContact NH1-OD2 2.93Å; R24-D28 PolarHBondContact O-N 3.32Å; L25-D28 WeakPolarHBondContact O-CB 3.49Å; L25-D28 PolarHBondContact O-N 3.19Å; A26-D28 VanDerWaalsContact C-N 3.27Å; D28-S30 PolarHBondContact O-N 3.38Å; D28-S30 WeakPolarHBondContact OD1-CA 3.46Å; D28-S30 VanDerWaalsContact OD1-CB 3.29Å; D28-S30 WeakPolarHBondContact OD1-CB 3.23Å; D28-S30 PolarHBondContact OD1-N 3.41Å; D28-S30 PolarHBondContact OD1-OG 2.79Å; D28-K31 WeakPolarHBondContact O-CA 3.38Å; D28-K31 PolarHBondContact O-N 3.17Å; D28-K31 PolarHBondContact OD1-N 3.07Å; D28-F33 HydrophobicContact CB-CD2 4.04Å; D28-F33 HydrophobicContact CB-CE2 4.44Å
29S88.9Confident95.5Very high114 Ų11425.2 Ų25.280%0.79715%0.147SC*.THydrogen-bonded Turntrans-66.3-25.6-172.760.80000112.9S27 K31S27-S29 PolarHBondContact O-N 2.87Å; S29-K31 VanDerWaalsContact C-N 3.27Å
30S89.4Confident95.5Very high72 Ų7231.8 Ų31.850%0.50317%0.171SC..THydrogen-bonded Turntrans-78.9-1317580.20000112.7D28 V32D28-S30 PolarHBondContact O-N 3.38Å; D28-S30 WeakPolarHBondContact OD1-CA 3.46Å; D28-S30 VanDerWaalsContact OD1-CB 3.29Å; D28-S30 WeakPolarHBondContact OD1-CB 3.23Å; D28-S30 PolarHBondContact OD1-N 3.41Å; D28-S30 PolarHBondContact OD1-OG 2.79Å; S30-V32 PolarHBondContact O-N 2.94Å; S30-V32 VanDerWaalsContact O-N 3.16Å; S30-V32 VanDerWaalsContact OG-CG1 3.29Å; S30-V32 WeakPolarHBondContact OG-CG1 3.26Å; S30-V32 WeakPolarHBondContact OG-CG2 3.36Å
31K89.2Confident95.4Very high85 Ų8534.8 Ų34.837%0.3719%0.185SC..  trans54.330.8176.8-51-174.9-166.3-1670113.8D28 S29 F33 H56D28-K31 WeakPolarHBondContact O-CA 3.38Å; D28-K31 PolarHBondContact O-N 3.17Å; D28-K31 PolarHBondContact OD1-N 3.07Å; S29-K31 VanDerWaalsContact C-N 3.27Å; K31-F33 PolarHBondContact O-N 3.44Å; K31-H56 WeakPolarHBondContact CE-CD2 3.36Å; K31-H56 WeakPolarHBondContact CE-NE2 3.14Å; K31-H56 PolarHBondContact NZ-CE1 2.89Å; K31-H56 PolarHBondContact NZ-ND1 3.33Å; K31-H56 PolarHBondContact NZ-NE2 3.16Å
32V93.8Very high95.3Very high46 Ų4637.6 Ų37.628%0.27920%0.2SC..  trans-78.9-7-179-64.50000112.9K5 K6 S30K5-V32 CarbonylContact C-O 3.51Å; K5-V32 WeakPolarHBondContact CA-O 3.39Å; K6-V32 PolarHBondContact N-O 3.2Å; S30-V32 PolarHBondContact O-N 2.94Å; S30-V32 VanDerWaalsContact O-N 3.16Å; S30-V32 VanDerWaalsContact OG-CG1 3.29Å; S30-V32 WeakPolarHBondContact OG-CG1 3.26Å; S30-V32 WeakPolarHBondContact OG-CG2 3.36Å
33F96.5Very high95.2Very high1 Ų140.9 Ų40.90%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-110.8141.3-178.5-57.7-69.5000112.9K6 V8 L25 D28 K31 V35 I87 I247 H248K6-F33 HydrophobicContact CB-CD1 3.97Å; K6-F33 HydrophobicContact CB-CE1 4.28Å; K6-F33 HydrophobicContact CD-CE1 4.19Å; K6-F33 WeakPolarHBondContact O-CA 3.33Å; V8-F33 HydrophobicContact CG2-CB 4.36Å; V8-F33 HydrophobicContact CG2-CD1 3.69Å; V8-F33 HydrophobicContact CG2-CE1 4.44Å; V8-F33 HydrophobicContact CG2-CG 4.36Å; L25-F33 HydrophobicContact CB-CB 4.47Å; L25-F33 HydrophobicContact CB-CD2 4.32Å; L25-F33 HydrophobicContact CB-CG 4.42Å; L25-F33 HydrophobicContact CD2-CD1 4.37Å; L25-F33 HydrophobicContact CD2-CD2 3.76Å; L25-F33 HydrophobicContact CD2-CE1 4.25Å; L25-F33 HydrophobicContact CD2-CE2 3.62Å; L25-F33 HydrophobicContact CD2-CG 4.15Å; L25-F33 HydrophobicContact CD2-CZ 3.88Å; D28-F33 HydrophobicContact CB-CD2 4.04Å; D28-F33 HydrophobicContact CB-CE2 4.44Å; K31-F33 PolarHBondContact O-N 3.44Å; F33-V35 HydrophobicContact CB-CG2 4.26Å; F33-I87 HydrophobicContact CE1-CD1 4.05Å; F33-I247 HydrophobicContact CE1-CG2 3.98Å; F33-I247 HydrophobicContact CZ-CG2 3.91Å; F33-H248 AromaticContact CE2-NE2 3.95Å; F33-H248 AromaticContact CZ-NE2 3.57Å
34K97.1Very high95.1Very high21 Ų2144.6 Ų44.69%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-114.5113.2160.3168.569.2174.21780107.1K5 K6 V7 V8 Y36 E61K5-K34 HydrophobicContact CB-CB 4.07Å; K5-K34 HydrophobicContact CD-CB 4.09Å; K6-K34 PolarHBondContact O-N 2.94Å; V7-K34 WeakPolarHBondContact CA-O 3.34Å; V8-K34 PolarHBondContact N-O 3.38Å; K34-Y36 HydrophobicContact CD-CE2 4.47Å; K34-Y36 HydrophobicContact CG-CD2 4.42Å; K34-Y36 HydrophobicContact CG-CE2 3.83Å; K34-E61 IonicContact NZ-OE2 3.76Å; K34-E61 PolarHBondContact NZ-OE2 3.48Å
35V98.1Very high95Very high0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-101.2124.1-173.2-176.80000110.3V8 I10 A22 L25 A26 F33 A37 T59 L60 E61V8-V35 HydrophobicContact CB-CG2 4.48Å; V8-V35 CarbonylContact O-C 3.59Å; V8-V35 WeakPolarHBondContact O-CA 3.46Å; I10-V35 HydrophobicContact CD1-CG1 3.94Å; I10-V35 HydrophobicContact CG1-CG1 4.49Å; A22-V35 HydrophobicContact CB-CG1 4.09Å; L25-V35 HydrophobicContact CB-CG2 3.64Å; A26-V35 HydrophobicContact CB-CB 4.47Å; A26-V35 HydrophobicContact CB-CG2 4.15Å; F33-V35 HydrophobicContact CB-CG2 4.26Å; V35-A37 HydrophobicContact CG1-CB 4.48Å; V35-T59 PolarHBondContact N-O 3.45Å; V35-L60 HydrophobicContact CB-CD1 4.48Å; V35-L60 HydrophobicContact CG1-CD1 4.35Å; V35-L60 CarbonylContact O-C 3.55Å; V35-L60 WeakPolarHBondContact O-CA 3.27Å; V35-E61 PolarHBondContact O-N 2.79Å
36Y98.5Very high94.9Very high0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-99.296.4164.7-69.1-88.3000108.4V7 V8 L9 I10 K34 E61 L63 V80 V81 E82V7-Y36 HydrophobicContact CG1-CD2 3.75Å; V7-Y36 HydrophobicContact CG1-CE2 3.66Å; V8-Y36 PolarHBondContact O-N 3.49Å; L9-Y36 WeakPolarHBondContact CA-O 3.44Å; I10-Y36 PolarHBondContact N-O 3.29Å; K34-Y36 HydrophobicContact CD-CE2 4.47Å; K34-Y36 HydrophobicContact CG-CD2 4.42Å; K34-Y36 HydrophobicContact CG-CE2 3.83Å; Y36-E61 CarbonylContact C-O 3.56Å; Y36-E61 WeakPolarHBondContact CA-O 3.29Å; Y36-E61 HydrophobicContact CD1-CB 3.91Å; Y36-E61 HydrophobicContact CD1-CG 4.2Å; Y36-E61 HydrophobicContact CE1-CB 4.03Å; Y36-E61 HydrophobicContact CE1-CG 4.15Å; Y36-E61 WeakPolarHBondContact CE1-OE2 3.48Å; Y36-L63 HydrophobicContact CD1-CD1 3.59Å; Y36-L63 HydrophobicContact CD1-CG 4.05Å; Y36-L63 HydrophobicContact CE1-CD1 4.32Å; Y36-L63 HydrophobicContact CG-CD1 4.36Å; Y36-V80 HydrophobicContact CD1-CG2 4.38Å; Y36-V80 HydrophobicContact CD2-CG1 4.35Å; Y36-V80 HydrophobicContact CD2-CG2 4.25Å; Y36-V80 HydrophobicContact CE1-CG2 4.43Å; Y36-V80 HydrophobicContact CE2-CB 4.38Å; Y36-V80 HydrophobicContact CE2-CG1 3.78Å; Y36-V80 HydrophobicContact CE2-CG2 4.31Å; Y36-V80 HydrophobicContact CG-CG2 4.27Å; Y36-V81 PolarHBondContact OH-N 2.99Å; Y36-E82 WeakPolarHBondContact CE2-OE2 3.32Å; Y36-E82 PolarHBondContact OH-OE2 3.07Å
37A98.4Very high94.8Very high0 Ų054.3 Ų54.30%028%0.284CS..EExtended strand (participates in β ladder)trans-83.5112.417800000109.1C13 A22 V35 L48 L60 E61 I62 L63C13-A37 HydrophobicContact CB-CB 3.86Å; A22-A37 HydrophobicContact CB-CB 3.93Å; V35-A37 HydrophobicContact CG1-CB 4.48Å; A37-L48 HydrophobicContact CB-CD2 3.66Å; A37-L60 HydrophobicContact CB-CD1 4.25Å; A37-L60 HydrophobicContact CB-CG 4.45Å; A37-E61 PolarHBondContact N-O 2.74Å; A37-I62 WeakPolarHBondContact O-CA 3.25Å; A37-L63 PolarHBondContact O-N 2.81Å
38T98.8Very high94.8Very high1 Ų152.2 Ų52.21%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-106.7144.4-174.977.70000112.2L9 I10 T11 G12 C13 L63 M65L9-T38 HydrophobicContact CD1-CG2 4.25Å; L9-T38 HydrophobicContact CD2-CG2 4.05Å; L9-T38 HydrophobicContact CG-CG2 3.94Å; I10-T38 WeakPolarHBondContact O-CA 3.34Å; I10-T38 WeakPolarHBondContact O-CB 3.27Å; I10-T38 PolarHBondContact O-N 3.3Å; I10-T38 PolarHBondContact O-OG1 2.78Å; T11-T38 WeakPolarHBondContact CA-OG1 3.47Å; G12-T38 PolarHBondContact N-O 3.22Å; C13-T38 PolarHBondContact N-O 3.46Å; T38-L63 VanDerWaalsContact CA-O 3.28Å; T38-L63 WeakPolarHBondContact CA-O 3.37Å; T38-L63 HydrophobicContact CG2-CB 4.2Å; T38-M65 HydrophobicContact CG2-CB 4.26Å; T38-M65 HydrophobicContact CG2-SD 4.41Å
39M98.1Very high94.8Very high1 Ų154.9 Ų54.91%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-146.5150176.162.1-172.268.800111.4L42 K45 L48 I62 L63 Q64 M65M39-L42 HydrophobicContact CG-CD2 3.97Å; M39-L42 HydrophobicContact SD-CD2 4.35Å; M39-K45 HydrophobicContact CE-CB 4.01Å; M39-K45 HydrophobicContact SD-CB 3.72Å; M39-L48 HydrophobicContact CE-CD2 3.97Å; M39-I62 HydrophobicContact CE-CG2 3.82Å; M39-I62 HydrophobicContact SD-CG2 4.37Å; M39-L63 PolarHBondContact N-O 3.15Å; M39-Q64 WeakPolarHBondContact O-CA 3.36Å; M39-M65 CarbonylContact C-O 3.49Å; M39-M65 PolarHBondContact O-N 3.32Å
40R96.4Very high95Very high143 Ų14356.3 Ų56.354%0.5428%0.277SS..SBendtrans-62.7-44.8179.6178.917963170.50.1112.5M65 D66 R110R40-M65 WeakPolarHBondContact CA-O 3.48Å; R40-M65 PolarHBondContact N-O 3.41Å; R40-D66 WeakPolarHBondContact CD-OD2 3.44Å; R40-D66 HydrophobicContact CG-CB 3.99Å; R40-D66 VanDerWaalsContact CG-OD2 3.3Å; R40-D66 WeakPolarHBondContact CG-OD2 3.33Å; R40-R110 VanDerWaalsContact NH1-NH2 3.12Å
41N95.8Very high95Very high81 Ų8156 Ų5643%0.43327%0.274SS..  trans-119.4113-177.2-177.6-0.5000110.2A43 K44N41-A43 PolarHBondContact O-N 3.18Å; N41-A43 VanDerWaalsContact OD1-CB 3.29Å; N41-A43 WeakPolarHBondContact OD1-CB 3.49Å; N41-A43 PolarHBondContact OD1-N 3.43Å; N41-K44 PolarHBondContact O-N 3.06Å
42L96.8Very high94.9Very high60 Ų6052.9 Ų52.931%0.31426%0.262SS..G310 helixtrans-68.1-13.3179.2-71.2-178.5000114.1M39 K44 K45 I62 Q64M39-L42 HydrophobicContact CG-CD2 3.97Å; M39-L42 HydrophobicContact SD-CD2 4.35Å; L42-K44 PolarHBondContact O-N 3.36Å; L42-K45 WeakPolarHBondContact O-CB 3.38Å; L42-K45 WeakPolarHBondContact O-CD 3.44Å; L42-K45 WeakPolarHBondContact O-CG 3.39Å; L42-K45 PolarHBondContact O-N 3.22Å; L42-I62 HydrophobicContact CD2-CG2 3.8Å; L42-Q64 HydrophobicContact CD1-CB 3.91Å; L42-Q64 HydrophobicContact CD2-CB 4.28Å; L42-Q64 HydrophobicContact CG-CB 3.87Å; L42-Q64 HydrophobicContact CG-CG 4.37Å
43A96Very high94.4Very high69 Ų6958.5 Ų58.557%0.5728%0.283SS*.G310 helixtrans-756.3172.600000113.5N41 E46N41-A43 PolarHBondContact O-N 3.18Å; N41-A43 VanDerWaalsContact OD1-CB 3.29Å; N41-A43 WeakPolarHBondContact OD1-CB 3.49Å; N41-A43 PolarHBondContact OD1-N 3.43Å; A43-E46 VanDerWaalsContact C-OE2 3.26Å
44K93.7Very high93.6Very high104 Ų10465.9 Ų65.945%0.45232%0.322SS..G310 helixtrans-115.217.6172.3-63.4-166.9173-165.70112.3N41 L42 E46N41-K44 PolarHBondContact O-N 3.06Å; L42-K44 PolarHBondContact O-N 3.36Å; K44-E46 VanDerWaalsContact C-N 3.32Å; K44-E46 WeakPolarHBondContact CA-OE2 3.45Å
45K94.4Very high92.5Very high78 Ų7867.1 Ų67.134%0.33933%0.329SS..  trans-81.3-14.6-175.672.4-174.9175.3-179.40113.1M39 L42 R47 L48 L49 I62M39-K45 HydrophobicContact CE-CB 4.01Å; M39-K45 HydrophobicContact SD-CB 3.72Å; L42-K45 WeakPolarHBondContact O-CB 3.38Å; L42-K45 WeakPolarHBondContact O-CD 3.44Å; L42-K45 WeakPolarHBondContact O-CG 3.39Å; L42-K45 PolarHBondContact O-N 3.22Å; K45-R47 PolarHBondContact O-N 3.37Å; K45-L48 WeakPolarHBondContact O-CB 3.34Å; K45-L48 PolarHBondContact O-N 2.84Å; K45-L48 VanDerWaalsContact O-N 3.12Å; K45-L49 HydrophobicContact CD-CD1 4Å; K45-L49 HydrophobicContact CG-CD1 3.83Å; K45-L49 HydrophobicContact CG-CG 4.39Å; K45-L49 WeakPolarHBondContact O-CG 3.41Å; K45-L49 PolarHBondContact O-N 3.16Å; K45-I62 HydrophobicContact CB-CD1 4.16Å; K45-I62 HydrophobicContact CB-CG2 4.38Å
46E93.8Very high91Very high89 Ų8970.8 Ų70.842%0.41635%0.346SS..Hα-helixtrans-58.5-47.8-170-69.566.3-148.400110.8A43 K44 L48 L49 E50A43-E46 VanDerWaalsContact C-OE2 3.26Å; K44-E46 VanDerWaalsContact C-N 3.32Å; K44-E46 WeakPolarHBondContact CA-OE2 3.45Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.36Å; E46-L49 WeakPolarHBondContact O-CB 3.41Å; E46-L49 PolarHBondContact O-N 2.92Å; E46-L49 VanDerWaalsContact O-N 3.11Å; E46-E50 WeakPolarHBondContact O-CG 3.28Å; E46-E50 PolarHBondContact O-N 3.36Å
47R92.6Very high89.7Confident111 Ų11182.2 Ų82.242%0.41939%0.39SS..Hα-helixtrans-57.6-43.2176.5-172.5-179.1170.5176.10.3112.2L19 K45 E50 C51 D192L19-R47 HydrophobicContact CD1-CB 4.12Å; L19-R47 HydrophobicContact CD1-CG 3.76Å; K45-R47 PolarHBondContact O-N 3.37Å; R47-E50 PolarHBondContact O-N 3.47Å; R47-C51 PolarHBondContact O-N 3.03Å; R47-C51 PolarHBondContact O-SG 3.35Å; R47-D192 VanDerWaalsContact NH1-CG 3.33Å; R47-D192 IonicContact NH1-OD1 3.05Å; R47-D192 PolarHBondContact NH1-OD1 3.08Å; R47-D192 IonicContact NH1-OD2 2.89Å; R47-D192 PolarHBondContact NH1-OD2 3.18Å
48L93.1Very high89.1Confident0 Ų086.3 Ų86.30%041%0.411CS..Hα-helixtrans-65.5-45.3176.4177.763.3000110.7C13 L19 A22 V23 A37 M39 K45 E46 E50 C51 V52 L60 I62C13-L48 HydrophobicContact CB-CD2 4.43Å; L19-L48 HydrophobicContact CD1-CB 4.22Å; L19-L48 HydrophobicContact CG-CB 4.41Å; L19-L48 HydrophobicContact CG-CD1 4.11Å; A22-L48 HydrophobicContact CB-CD1 4.37Å; V23-L48 HydrophobicContact CG2-CD1 3.65Å; A37-L48 HydrophobicContact CB-CD2 3.66Å; M39-L48 HydrophobicContact CE-CD2 3.97Å; K45-L48 WeakPolarHBondContact O-CB 3.34Å; K45-L48 PolarHBondContact O-N 2.84Å; K45-L48 VanDerWaalsContact O-N 3.12Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.36Å; L48-E50 VanDerWaalsContact C-N 3.3Å; L48-E50 PolarHBondContact O-N 3.17Å; L48-C51 PolarHBondContact O-N 3.03Å; L48-V52 HydrophobicContact CD1-CG1 4.24Å; L48-V52 WeakPolarHBondContact O-CG1 3.43Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 2.71Å; L48-L60 HydrophobicContact CD1-CD1 4.34Å; L48-L60 HydrophobicContact CD2-CD2 4.46Å; L48-I62 HydrophobicContact CD2-CD1 3.7Å; L48-I62 HydrophobicContact CD2-CG1 3.82Å; L48-I62 HydrophobicContact CG-CD1 4.15Å
49L92.4Very high88.8Confident77 Ų7786.3 Ų86.340%0.40341%0.411SS..Hα-helixtrans-60.2-38.3177.9-73.3177.1000112.7K45 E46 V52 K53 I62K45-L49 HydrophobicContact CD-CD1 4Å; K45-L49 HydrophobicContact CG-CD1 3.83Å; K45-L49 HydrophobicContact CG-CG 4.39Å; K45-L49 WeakPolarHBondContact O-CG 3.41Å; K45-L49 PolarHBondContact O-N 3.16Å; E46-L49 WeakPolarHBondContact O-CB 3.41Å; E46-L49 PolarHBondContact O-N 2.92Å; E46-L49 VanDerWaalsContact O-N 3.11Å; L49-V52 PolarHBondContact O-N 3.25Å; L49-K53 PolarHBondContact O-N 3.01Å; L49-I62 HydrophobicContact CD2-CD1 3.61Å; L49-I62 HydrophobicContact CG-CD1 3.87Å
50E92.1Very high88.6Confident143 Ų14387.3 Ų87.367%0.66842%0.417SS*.Hα-helixtrans-63.9-46.5175.6-74.9171.2-178.100111.7E46 R47 L48 V52 K53E46-E50 WeakPolarHBondContact O-CG 3.28Å; E46-E50 PolarHBondContact O-N 3.36Å; R47-E50 PolarHBondContact O-N 3.47Å; L48-E50 VanDerWaalsContact C-N 3.3Å; L48-E50 PolarHBondContact O-N 3.17Å; E50-V52 PolarHBondContact O-N 3.26Å; E50-K53 PolarHBondContact O-N 2.82Å
51C89.8Confident88.6Confident65 Ų6583.5 Ų83.544%0.43941%0.405SS..Hα-helixtrans-61.9-25.4176.9-66.70000113.3V23 R47 L48V23-C51 HydrophobicContact CG1-CB 4.24Å; V23-C51 HydrophobicContact CG2-CB 3.59Å; R47-C51 PolarHBondContact O-N 3.03Å; R47-C51 PolarHBondContact O-SG 3.35Å; L48-C51 PolarHBondContact O-N 3.03Å
52V87.3Confident88.7Confident20 Ų2081.4 Ų81.412%0.12139%0.394CS..THydrogen-bonded Turntrans-107.86.3-176.5-510000114.4V23 L48 L49 E50 D54 L55 L60V23-V52 HydrophobicContact CG2-CG1 3.95Å; L48-V52 HydrophobicContact CD1-CG1 4.24Å; L48-V52 WeakPolarHBondContact O-CG1 3.43Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 2.71Å; L49-V52 PolarHBondContact O-N 3.25Å; E50-V52 PolarHBondContact O-N 3.26Å; V52-D54 PolarHBondContact O-N 3.39Å; V52-D54 VanDerWaalsContact O-N 3.15Å; V52-L55 HydrophobicContact CB-CB 4.2Å; V52-L55 HydrophobicContact CB-CD1 3.6Å; V52-L55 HydrophobicContact CB-CG 4.13Å; V52-L55 HydrophobicContact CG1-CD1 3.56Å; V52-L55 WeakPolarHBondContact O-CB 3.47Å; V52-L55 PolarHBondContact O-N 2.84Å; V52-L60 HydrophobicContact CG1-CD1 4.22Å
53K83.6Confident88.7Confident165 Ų16579 Ų7972%0.71738%0.381SS*.THydrogen-bonded Turntrans-56.1-36-172.2-172.7179.4177.3-175.40113.4L49 E50L49-K53 PolarHBondContact O-N 3.01Å; E50-K53 PolarHBondContact O-N 2.82Å
54D79.3Confident88.9Confident156 Ų15680.4 Ų80.483%0.83438%0.376SS*.THydrogen-bonded Turntrans-101.99.4-179.9-58.3-42.3000112.9V52V52-D54 PolarHBondContact O-N 3.39Å; V52-D54 VanDerWaalsContact O-N 3.15Å
55L73.8Confident89.1Confident46 Ų4675.7 Ų75.724%0.24136%0.355CS..SBendtrans-89.5169.6177.6-59.8-178.3000112.5V23 S27 V52 R57V23-L55 HydrophobicContact CG1-CD1 4.4Å; S27-L55 WeakPolarHBondContact OG-CD1 3.37Å; S27-L55 WeakPolarHBondContact OG-CD2 3.34Å; V52-L55 HydrophobicContact CB-CB 4.2Å; V52-L55 HydrophobicContact CB-CD1 3.6Å; V52-L55 HydrophobicContact CB-CG 4.13Å; V52-L55 HydrophobicContact CG1-CD1 3.56Å; V52-L55 WeakPolarHBondContact O-CB 3.47Å; V52-L55 PolarHBondContact O-N 2.84Å; L55-R57 PolarHBondContact O-N 2.8Å; L55-R57 VanDerWaalsContact O-N 3.13Å
56H66.7Low89.3Confident77 Ų7773.5 Ų73.536%0.35635%0.348SS..  trans-64.1110.5176.6-60.8-48.9000110.6K31 D58 T59K31-H56 WeakPolarHBondContact CE-CD2 3.36Å; K31-H56 WeakPolarHBondContact CE-NE2 3.14Å; K31-H56 PolarHBondContact NZ-CE1 2.89Å; K31-H56 PolarHBondContact NZ-ND1 3.33Å; K31-H56 PolarHBondContact NZ-NE2 3.16Å; H56-D58 WeakPolarHBondContact CB-OD1 3.37Å; H56-D58 PolarHBondContact O-N 2.81Å; H56-T59 HydrophobicContact CB-CG2 3.85Å; H56-T59 PolarHBondContact O-N 3.04Å; H56-T59 PolarHBondContact O-OG1 3.24Å
57R71.8Confident89.5Confident240 Ų24069.8 Ų69.891%0.90633%0.331SS*.THydrogen-bonded Turntrans-57.7-18.4-178.8-66.1-170.9-173.6-163.42.9113.8L55L55-R57 PolarHBondContact O-N 2.8Å; L55-R57 VanDerWaalsContact O-N 3.13Å
58D84.4Confident89.8Confident86 Ų8666.2 Ų66.246%0.4632%0.321SS..THydrogen-bonded Turntrans-92.9-2-178.864.5-58.6000114.1K5 H56K5-D58 PolarHBondContact NZ-O 2.9Å; K5-D58 VanDerWaalsContact NZ-O 3.07Å; K5-D58 IonicContact NZ-OD2 3.76Å; K5-D58 PolarHBondContact NZ-OD2 3.04Å; H56-D58 WeakPolarHBondContact CB-OD1 3.37Å; H56-D58 PolarHBondContact O-N 2.81Å
59T92.1Very high90.1Very high1 Ų169.9 Ų69.91%0.00634%0.341CS..THydrogen-bonded Turntrans-101.5-14178.759.50000113.9A26 V35 H56A26-T59 WeakPolarHBondContact O-CB 3.21Å; A26-T59 PolarHBondContact O-OG1 2.87Å; V35-T59 PolarHBondContact N-O 3.45Å; H56-T59 HydrophobicContact CB-CG2 3.85Å; H56-T59 PolarHBondContact O-N 3.04Å; H56-T59 PolarHBondContact O-OG1 3.24Å
60L95.3Very high90.3Very high23 Ų2371.6 Ų71.612%0.1234%0.342CS..EExtended strand (participates in β ladder)trans-134.1140.2179.2-172.9138000112.8A22 A26 V35 A37 L48 V52 I62A22-L60 HydrophobicContact CB-CD1 4.28Å; A26-L60 HydrophobicContact CB-CB 3.75Å; A26-L60 HydrophobicContact CB-CD1 3.77Å; A26-L60 HydrophobicContact CB-CG 4.38Å; V35-L60 HydrophobicContact CB-CD1 4.48Å; V35-L60 HydrophobicContact CG1-CD1 4.35Å; V35-L60 CarbonylContact O-C 3.55Å; V35-L60 WeakPolarHBondContact O-CA 3.27Å; A37-L60 HydrophobicContact CB-CD1 4.25Å; A37-L60 HydrophobicContact CB-CG 4.45Å; L48-L60 HydrophobicContact CD1-CD1 4.34Å; L48-L60 HydrophobicContact CD2-CD2 4.46Å; V52-L60 HydrophobicContact CG1-CD1 4.22Å; L60-I62 HydrophobicContact CD2-CD1 4.3Å; L60-I62 HydrophobicContact CD2-CG1 3.68Å
61E96.1Very high90.6Very high62 Ų6270.1 Ų70.129%0.2934%0.335SS..EExtended strand (participates in β ladder)trans-136.1137.3172.6-171.4166.5156.700110.3K34 V35 Y36 A37 L63K34-E61 IonicContact NZ-OE2 3.76Å; K34-E61 PolarHBondContact NZ-OE2 3.48Å; V35-E61 PolarHBondContact O-N 2.79Å; Y36-E61 CarbonylContact C-O 3.56Å; Y36-E61 WeakPolarHBondContact CA-O 3.29Å; Y36-E61 HydrophobicContact CD1-CB 3.91Å; Y36-E61 HydrophobicContact CD1-CG 4.2Å; Y36-E61 HydrophobicContact CE1-CB 4.03Å; Y36-E61 HydrophobicContact CE1-CG 4.15Å; Y36-E61 WeakPolarHBondContact CE1-OE2 3.48Å; A37-E61 PolarHBondContact N-O 2.74Å; E61-L63 HydrophobicContact CG-CD2 4.27Å
62I97.3Very high91.1Very high38 Ų3867.7 Ų67.720%0.19532%0.319CS..EExtended strand (participates in β ladder)trans-102.4124.1-178.4-57.1177.8000109.4A37 M39 L42 K45 L48 L49 L60A37-I62 WeakPolarHBondContact O-CA 3.25Å; M39-I62 HydrophobicContact CE-CG2 3.82Å; M39-I62 HydrophobicContact SD-CG2 4.37Å; L42-I62 HydrophobicContact CD2-CG2 3.8Å; K45-I62 HydrophobicContact CB-CD1 4.16Å; K45-I62 HydrophobicContact CB-CG2 4.38Å; L48-I62 HydrophobicContact CD2-CD1 3.7Å; L48-I62 HydrophobicContact CD2-CG1 3.82Å; L48-I62 HydrophobicContact CG-CD1 4.15Å; L49-I62 HydrophobicContact CD2-CD1 3.61Å; L49-I62 HydrophobicContact CG-CD1 3.87Å; L60-I62 HydrophobicContact CD2-CD1 4.3Å; L60-I62 HydrophobicContact CD2-CG1 3.68Å
63L98.3Very high91.6Very high8 Ų866.7 Ų66.74%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-119.6147.2177.1-57-178.7000111.6Y36 A37 T38 M39 E61 A76 K79Y36-L63 HydrophobicContact CD1-CD1 3.59Å; Y36-L63 HydrophobicContact CD1-CG 4.05Å; Y36-L63 HydrophobicContact CE1-CD1 4.32Å; Y36-L63 HydrophobicContact CG-CD1 4.36Å; A37-L63 PolarHBondContact O-N 2.81Å; T38-L63 VanDerWaalsContact CA-O 3.28Å; T38-L63 WeakPolarHBondContact CA-O 3.37Å; T38-L63 HydrophobicContact CG2-CB 4.2Å; M39-L63 PolarHBondContact N-O 3.15Å; E61-L63 HydrophobicContact CG-CD2 4.27Å; L63-A76 HydrophobicContact CD1-CB 4.49Å; L63-K79 HydrophobicContact CD1-CB 3.98Å; L63-K79 HydrophobicContact CD2-CB 3.99Å; L63-K79 HydrophobicContact CD2-CD 3.86Å
64Q98.5Very high92.3Very high99 Ų9960.4 Ų60.446%0.46329%0.287SS..EExtended strand (participates in β ladder)trans-75129.5164.9-171.1-170-21.600108.7M39 L42M39-Q64 WeakPolarHBondContact O-CA 3.36Å; L42-Q64 HydrophobicContact CD1-CB 3.91Å; L42-Q64 HydrophobicContact CD2-CB 4.28Å; L42-Q64 HydrophobicContact CG-CB 3.87Å; L42-Q64 HydrophobicContact CG-CG 4.37Å
65M98.6Very high93.3Very high5 Ų555.8 Ų55.83%0.02526%0.264CS..  trans-151.8116.2169.3-160.5172.686.800110.2L9 T11 T38 M39 R40 V67 S72 I73 A76 T122L9-M65 HydrophobicContact CD2-CE 4.16Å; L9-M65 HydrophobicContact CD2-SD 4.48Å; T11-M65 HydrophobicContact CG2-CE 3.18Å; T38-M65 HydrophobicContact CG2-CB 4.26Å; T38-M65 HydrophobicContact CG2-SD 4.41Å; M39-M65 CarbonylContact C-O 3.49Å; M39-M65 PolarHBondContact O-N 3.32Å; R40-M65 WeakPolarHBondContact CA-O 3.48Å; R40-M65 PolarHBondContact N-O 3.41Å; M65-V67 HydrophobicContact CE-CG1 4.14Å; M65-S72 WeakPolarHBondContact CA-OG 3.39Å; M65-I73 HydrophobicContact CG-CB 4.45Å; M65-I73 HydrophobicContact CG-CG1 4.17Å; M65-I73 HydrophobicContact SD-CB 4.35Å; M65-I73 HydrophobicContact SD-CG1 4.39Å; M65-I73 HydrophobicContact SD-CG2 4.06Å; M65-A76 HydrophobicContact CB-CB 3.96Å; M65-A76 HydrophobicContact CG-CB 3.73Å; M65-A76 HydrophobicContact SD-CB 3.55Å; M65-A76 VanDerWaalsContact SD-CB 3.55Å; M65-T122 HydrophobicContact CE-CG2 4.02Å
66D98.6Very high94.4Very high33 Ų3353.6 Ų53.618%0.17625%0.253CS..  trans-94.4117.5165.6-166.7-30.4000108.6R40 T68 D69 S72R40-D66 WeakPolarHBondContact CD-OD2 3.44Å; R40-D66 HydrophobicContact CG-CB 3.99Å; R40-D66 VanDerWaalsContact CG-OD2 3.3Å; R40-D66 WeakPolarHBondContact CG-OD2 3.33Å; D66-T68 PolarHBondContact O-N 3.35Å; D66-T68 VanDerWaalsContact O-N 3.15Å; D66-T68 WeakPolarHBondContact OD1-CB 3.37Å; D66-T68 PolarHBondContact OD1-N 3.41Å; D66-T68 PolarHBondContact OD1-OG1 3.17Å; D66-D69 HydrophobicContact CB-CB 4.31Å; D66-D69 PolarHBondContact O-N 2.71Å; D66-D69 VanDerWaalsContact O-N 3.13Å; D66-S72 PolarHBondContact N-OG 3.37Å
67V98.7Very high96Very high11 Ų1154.1 Ų54.17%0.06725%0.252CS..THydrogen-bonded Turntrans-65.6-15.4179.9-61.70000112.8T11 M65 A92 V114 G118T11-V67 HydrophobicContact CG2-CG1 4.26Å; M65-V67 HydrophobicContact CE-CG1 4.14Å; V67-A92 HydrophobicContact CG1-CB 4Å; V67-A92 HydrophobicContact CG2-CB 4.24Å; V67-V114 HydrophobicContact CG2-CG1 4.19Å; V67-G118 WeakPolarHBondContact O-CA 3.48Å
68T98.4Very high97.2Very high35 Ų3546.5 Ų46.522%0.21523%0.229CC..THydrogen-bonded Turntrans-92.7-1.4178.263.80000113.6D66 R110 E113 V114D66-T68 PolarHBondContact O-N 3.35Å; D66-T68 VanDerWaalsContact O-N 3.15Å; D66-T68 WeakPolarHBondContact OD1-CB 3.37Å; D66-T68 PolarHBondContact OD1-N 3.41Å; D66-T68 PolarHBondContact OD1-OG1 3.17Å; T68-R110 PolarHBondContact OG1-NH1 2.74Å; T68-E113 HydrophobicContact CG2-CB 4.38Å; T68-E113 HydrophobicContact CG2-CG 3.75Å; T68-V114 HydrophobicContact CG2-CB 4.31Å; T68-V114 HydrophobicContact CG2-CG2 3.65Å
69D98.6Very high97.9Very high77 Ų7747.5 Ų47.541%0.41223%0.229SC..  trans-119.7107.6173.5173.68.2000109.9D66 Q71 S72 I73D66-D69 HydrophobicContact CB-CB 4.31Å; D66-D69 PolarHBondContact O-N 2.71Å; D66-D69 VanDerWaalsContact O-N 3.13Å; D69-Q71 PolarHBondContact O-N 3.03Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.32Å; D69-Q71 PolarHBondContact OD1-N 3.33Å; D69-S72 WeakPolarHBondContact O-CA 3.47Å; D69-S72 VanDerWaalsContact O-CB 3.22Å; D69-S72 WeakPolarHBondContact O-CB 3.45Å; D69-S72 PolarHBondContact O-N 3.03Å; D69-S72 PolarHBondContact OD1-N 3.41Å; D69-S72 PolarHBondContact OD2-N 3.33Å; D69-I73 PolarHBondContact O-N 2.79Å; D69-I73 VanDerWaalsContact O-N 3.13Å
70R98Very high98.2Very high114 Ų11447.6 Ų47.643%0.4323%0.23SC..Hα-helixtrans-54.6-38.3178.3-174.8177.1-178.981.11112.8S72 I73 L74R70-S72 VanDerWaalsContact C-N 3.33Å; R70-I73 PolarHBondContact O-N 2.87Å; R70-L74 HydrophobicContact CG-CD1 4.3Å; R70-L74 WeakPolarHBondContact O-CG 3.49Å; R70-L74 PolarHBondContact O-N 3.47Å
71Q98.6Very high98.2Very high112 Ų11251.3 Ų51.352%0.52325%0.253SS..Hα-helixtrans-68.9-36.8-179.9-173.255.66000110.8D69 I73 L74 T75D69-Q71 PolarHBondContact O-N 3.03Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.32Å; D69-Q71 PolarHBondContact OD1-N 3.33Å; Q71-I73 PolarHBondContact O-N 3.35Å; Q71-L74 PolarHBondContact O-N 3.49Å; Q71-T75 PolarHBondContact NE2-OG1 3.2Å; Q71-T75 WeakPolarHBondContact O-CB 3.49Å; Q71-T75 PolarHBondContact O-N 3.1Å; Q71-T75 PolarHBondContact O-OG1 2.9Å; Q71-T75 VanDerWaalsContact O-OG1 3.1Å
72S98.8Very high98.2Very high13 Ų1351.6 Ų51.69%0.09126%0.255CS..Hα-helixtrans-58-45.8171.9-164.40000112M65 D66 D69 R70 T75 A76M65-S72 WeakPolarHBondContact CA-OG 3.39Å; D66-S72 PolarHBondContact N-OG 3.37Å; D69-S72 WeakPolarHBondContact O-CA 3.47Å; D69-S72 VanDerWaalsContact O-CB 3.22Å; D69-S72 WeakPolarHBondContact O-CB 3.45Å; D69-S72 PolarHBondContact O-N 3.03Å; D69-S72 PolarHBondContact OD1-N 3.41Å; D69-S72 PolarHBondContact OD2-N 3.33Å; R70-S72 VanDerWaalsContact C-N 3.33Å; S72-T75 PolarHBondContact O-N 2.94Å; S72-A76 PolarHBondContact O-N 3.48Å
73I98.8Very high98.1Very high0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-63.2-45.2177.6-54.1170.2000111.1M65 D69 R70 Q71 T75 A76 R77 Q121 V125 F126M65-I73 HydrophobicContact CG-CB 4.45Å; M65-I73 HydrophobicContact CG-CG1 4.17Å; M65-I73 HydrophobicContact SD-CB 4.35Å; M65-I73 HydrophobicContact SD-CG1 4.39Å; M65-I73 HydrophobicContact SD-CG2 4.06Å; D69-I73 PolarHBondContact O-N 2.79Å; D69-I73 VanDerWaalsContact O-N 3.13Å; R70-I73 PolarHBondContact O-N 2.87Å; Q71-I73 PolarHBondContact O-N 3.35Å; I73-T75 PolarHBondContact O-N 3.46Å; I73-A76 PolarHBondContact O-N 3.42Å; I73-R77 PolarHBondContact O-N 3.13Å; I73-Q121 HydrophobicContact CD1-CB 3.9Å; I73-V125 HydrophobicContact CB-CG2 4.35Å; I73-V125 HydrophobicContact CG2-CB 3.76Å; I73-V125 HydrophobicContact CG2-CG1 3.82Å; I73-V125 HydrophobicContact CG2-CG2 3.8Å; I73-F126 HydrophobicContact CG2-CE2 4.08Å
74L98.6Very high98.1Very high33 Ų3359.5 Ų59.517%0.17329%0.285CS..Hα-helixtrans-60.9-44.6177.2-70.9169.3000111.6R70 Q71 A76 R77 D78 V125R70-L74 HydrophobicContact CG-CD1 4.3Å; R70-L74 WeakPolarHBondContact O-CG 3.49Å; R70-L74 PolarHBondContact O-N 3.47Å; Q71-L74 PolarHBondContact O-N 3.49Å; L74-A76 VanDerWaalsContact C-N 3.34Å; L74-A76 PolarHBondContact O-N 2.9Å; L74-R77 VanDerWaalsContact CD2-NH1 3.31Å; L74-R77 WeakPolarHBondContact O-CB 3.22Å; L74-R77 PolarHBondContact O-N 3.26Å; L74-D78 PolarHBondContact O-N 3.33Å; L74-V125 HydrophobicContact CD2-CG1 3.98Å; L74-V125 HydrophobicContact CD2-CG2 4.11Å; L74-V125 HydrophobicContact CG-CG2 4.47Å
75T98.6Very high98.1Very high59 Ų5955 Ų5536%0.36227%0.265SS..Hα-helixtrans-63.1-39.1176.6-65.70000112Q71 S72 I73 D78 K79Q71-T75 PolarHBondContact NE2-OG1 3.2Å; Q71-T75 WeakPolarHBondContact O-CB 3.49Å; Q71-T75 PolarHBondContact O-N 3.1Å; Q71-T75 PolarHBondContact O-OG1 2.9Å; Q71-T75 VanDerWaalsContact O-OG1 3.1Å; S72-T75 PolarHBondContact O-N 2.94Å; I73-T75 PolarHBondContact O-N 3.46Å; T75-D78 PolarHBondContact O-N 2.97Å; T75-K79 WeakPolarHBondContact O-CG 3.28Å; T75-K79 PolarHBondContact O-N 3.2Å
76A98.6Very high98.1Very high0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-65.9-44.3174.700000112L63 M65 S72 I73 L74 D78 K79 V80L63-A76 HydrophobicContact CD1-CB 4.49Å; M65-A76 HydrophobicContact CB-CB 3.96Å; M65-A76 HydrophobicContact CG-CB 3.73Å; M65-A76 HydrophobicContact SD-CB 3.55Å; M65-A76 VanDerWaalsContact SD-CB 3.55Å; S72-A76 PolarHBondContact O-N 3.48Å; I73-A76 PolarHBondContact O-N 3.42Å; L74-A76 VanDerWaalsContact C-N 3.34Å; L74-A76 PolarHBondContact O-N 2.9Å; A76-D78 VanDerWaalsContact C-N 3.3Å; A76-D78 PolarHBondContact O-N 3.49Å; A76-K79 PolarHBondContact O-N 3.26Å; A76-V80 PolarHBondContact O-N 3.11Å
77R98.6Very high98.1Very high88 Ų8854.1 Ų54.133%0.33226%0.26SS..Hα-helixtrans-55-46.1173.2178.8-155.964.6-166.2-2.4111.4I73 L74 K79 V80 V125 F126I73-R77 PolarHBondContact O-N 3.13Å; L74-R77 VanDerWaalsContact CD2-NH1 3.31Å; L74-R77 WeakPolarHBondContact O-CB 3.22Å; L74-R77 PolarHBondContact O-N 3.26Å; R77-K79 PolarHBondContact O-N 2.82Å; R77-V80 WeakPolarHBondContact O-CB 3.32Å; R77-V80 PolarHBondContact O-N 3.46Å; R77-V125 HydrophobicContact CB-CG1 3.97Å; R77-V125 HydrophobicContact CG-CG1 4.23Å; R77-F126 HydrophobicContact CB-CE1 3.66Å; R77-F126 HydrophobicContact CB-CZ 3.71Å; R77-F126 HydrophobicContact CG-CD1 4.12Å; R77-F126 HydrophobicContact CG-CE1 3.64Å; R77-F126 HydrophobicContact CG-CZ 4.2Å
78D98.3Very high98.1Very high80 Ų8053.6 Ų53.643%0.42826%0.257SS..Hα-helixtrans-68.8-23-175.6-66.6-15.8000112.8L74 T75 A76 V80 K83L74-D78 PolarHBondContact O-N 3.33Å; T75-D78 PolarHBondContact O-N 2.97Å; A76-D78 VanDerWaalsContact C-N 3.3Å; A76-D78 PolarHBondContact O-N 3.49Å; D78-V80 VanDerWaalsContact C-N 3.34Å; D78-K83 PolarHBondContact O-NZ 3Å
79K98.3Very high98.1Very high107 Ų10752 Ų5247%0.46525%0.247SC..Hα-helixtrans-78-14.1173.1-72178.2-177.8-179.80113.9L63 T75 A76 R77 V81L63-K79 HydrophobicContact CD1-CB 3.98Å; L63-K79 HydrophobicContact CD2-CB 3.99Å; L63-K79 HydrophobicContact CD2-CD 3.86Å; T75-K79 WeakPolarHBondContact O-CG 3.28Å; T75-K79 PolarHBondContact O-N 3.2Å; A76-K79 PolarHBondContact O-N 3.26Å; R77-K79 PolarHBondContact O-N 2.82Å; K79-V81 PolarHBondContact O-N 3.22Å; K79-V81 VanDerWaalsContact O-N 3.11Å
80V98Very high98.1Very high3 Ų348.4 Ų48.42%0.01823%0.228CC..  trans-66.4112.1170.6179.30000108.5V7 L9 Y36 A76 R77 D78 K83 R84 V85V7-V80 HydrophobicContact CG1-CG1 3.99Å; L9-V80 HydrophobicContact CD1-CG2 4.15Å; Y36-V80 HydrophobicContact CD1-CG2 4.38Å; Y36-V80 HydrophobicContact CD2-CG1 4.35Å; Y36-V80 HydrophobicContact CD2-CG2 4.25Å; Y36-V80 HydrophobicContact CE1-CG2 4.43Å; Y36-V80 HydrophobicContact CE2-CB 4.38Å; Y36-V80 HydrophobicContact CE2-CG1 3.78Å; Y36-V80 HydrophobicContact CE2-CG2 4.31Å; Y36-V80 HydrophobicContact CG-CG2 4.27Å; A76-V80 PolarHBondContact O-N 3.11Å; R77-V80 WeakPolarHBondContact O-CB 3.32Å; R77-V80 PolarHBondContact O-N 3.46Å; D78-V80 VanDerWaalsContact C-N 3.34Å; V80-K83 WeakPolarHBondContact O-CD 3.39Å; V80-K83 PolarHBondContact O-N 2.71Å; V80-K83 PolarHBondContact O-NZ 2.59Å; V80-R84 WeakPolarHBondContact CG1-O 3.33Å; V80-V85 HydrophobicContact CG1-CG2 4.42Å; V80-V85 HydrophobicContact CG2-CG2 4.4Å
81V96.4Very high98.2Very high101 Ų10144.1 Ų44.161%0.61221%0.214SC*.THydrogen-bonded Turntrans-68.4-39.1-171177.80000111.3Y36 K79 K83Y36-V81 PolarHBondContact OH-N 2.99Å; K79-V81 PolarHBondContact O-N 3.22Å; K79-V81 VanDerWaalsContact O-N 3.11Å; V81-K83 PolarHBondContact O-N 3.23Å
82E96.4Very high98.1Very high68 Ų6839.8 Ų39.832%0.31820%0.197SC..THydrogen-bonded Turntrans-70.5-9.3-178.1-61.280.7-177.200113.1V7 Y36 R84V7-E82 HydrophobicContact CG2-CB 3.76Å; V7-E82 HydrophobicContact CG2-CG 3.64Å; Y36-E82 WeakPolarHBondContact CE2-OE2 3.32Å; Y36-E82 PolarHBondContact OH-OE2 3.07Å; E82-R84 HydrophobicContact CB-CG 4.08Å; E82-R84 PolarHBondContact O-N 3.35Å
83K95.6Very high98Very high152 Ų15240.7 Ų40.766%0.66121%0.209SC*.SBendtrans54.823-177.3-53.2-59.4171-166.40114.2D78 V80 V81D78-K83 PolarHBondContact O-NZ 3Å; V80-K83 WeakPolarHBondContact O-CD 3.39Å; V80-K83 PolarHBondContact O-N 2.71Å; V80-K83 PolarHBondContact O-NZ 2.59Å; V81-K83 PolarHBondContact O-N 3.23Å
84R96.6Very high97.9Very high59 Ų5942.8 Ų42.822%0.22322%0.221CC..  trans-143.3155.2172.865.3173.3-167.9-1239.8111.3E4 V7 V80 E82 D86E4-R84 VanDerWaalsContact CD-CZ 3.47Å; E4-R84 VanDerWaalsContact CG-NH2 3.32Å; E4-R84 IonicContact OE1-CZ 2.9Å; E4-R84 IonicContact OE1-NH1 3.39Å; E4-R84 PolarHBondContact OE1-NH1 3.29Å; E4-R84 IonicContact OE1-NH2 2.72Å; E4-R84 PolarHBondContact OE1-NH2 3.19Å; E4-R84 IonicContact OE2-CZ 3.33Å; E4-R84 VanDerWaalsContact OE2-CZ 3.29Å; E4-R84 IonicContact OE2-NH1 3.41Å; E4-R84 PolarHBondContact OE2-NH1 3.28Å; E4-R84 IonicContact OE2-NH2 3.29Å; E4-R84 PolarHBondContact OE2-NH2 3.41Å; V7-R84 WeakPolarHBondContact CB-O 3.28Å; V7-R84 VanDerWaalsContact CG1-O 3.25Å; V7-R84 WeakPolarHBondContact CG1-O 3.4Å; V7-R84 HydrophobicContact CG2-CG 4.28Å; V80-R84 WeakPolarHBondContact CG1-O 3.33Å; E82-R84 HydrophobicContact CB-CG 4.08Å; E82-R84 PolarHBondContact O-N 3.35Å; R84-D86 IonicContact NE-OD1 3.48Å; R84-D86 IonicContact NE-OD2 2.96Å; R84-D86 PolarHBondContact NE-OD2 3.22Å
85V98.6Very high97.8Very high6 Ų641.3 Ų41.34%0.03621%0.214CC..  trans-130.2113.7168.7174.40000106.4V7 L9 V80 I87 L88 F126 M130V7-V85 HydrophobicContact CG1-CG2 4.45Å; L9-V85 HydrophobicContact CB-CG1 3.98Å; L9-V85 HydrophobicContact CB-CG2 4.27Å; V80-V85 HydrophobicContact CG1-CG2 4.42Å; V80-V85 HydrophobicContact CG2-CG2 4.4Å; V85-I87 VanDerWaalsContact CG1-O 3.27Å; V85-I87 WeakPolarHBondContact CG1-O 3.4Å; V85-L88 HydrophobicContact CG1-CB 4.22Å; V85-F126 HydrophobicContact CB-CD1 4.13Å; V85-F126 HydrophobicContact CG2-CD1 3.59Å; V85-F126 HydrophobicContact CG2-CE1 3.67Å; V85-M130 HydrophobicContact CB-CE 4.44Å; V85-M130 HydrophobicContact CG1-CE 4.06Å; V85-M130 WeakPolarHBondContact O-CE 3.25Å
86D98.6Very high97.6Very high16 Ų1638.8 Ų38.89%0.08620%0.198CC..SBendtrans-80.1-34.1180-60.8-69.7000110.8K6 V7 R84 G136 R137K6-D86 WeakPolarHBondContact CA-OD2 3.32Å; K6-D86 HydrophobicContact CB-CB 4.43Å; V7-D86 PolarHBondContact N-OD2 2.8Å; V7-D86 PolarHBondContact O-N 3.04Å; R84-D86 IonicContact NE-OD1 3.48Å; R84-D86 IonicContact NE-OD2 2.96Å; R84-D86 PolarHBondContact NE-OD2 3.22Å; D86-G136 WeakPolarHBondContact O-CA 3.39Å; D86-R137 PolarHBondContact O-N 3.02Å
87I98.9Very high97.5Very high3 Ų339.5 Ų39.52%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-133.4117.6-179.2-57.1163.8000109.3K6 V7 V8 L9 F33 V85 V89 R137 L139 I247K6-I87 HydrophobicContact CD-CD1 4.47Å; V7-I87 PolarHBondContact O-N 2.91Å; V8-I87 CarbonylContact C-O 3.57Å; V8-I87 VanDerWaalsContact CA-O 3.28Å; V8-I87 WeakPolarHBondContact CA-O 3.3Å; V8-I87 HydrophobicContact CB-CB 4.45Å; V8-I87 HydrophobicContact CG1-CB 4.1Å; V8-I87 HydrophobicContact CG1-CG2 4.06Å; V8-I87 HydrophobicContact CG2-CB 4.18Å; V8-I87 HydrophobicContact CG2-CD1 4.04Å; L9-I87 PolarHBondContact N-O 3.38Å; F33-I87 HydrophobicContact CE1-CD1 4.05Å; V85-I87 VanDerWaalsContact CG1-O 3.27Å; V85-I87 WeakPolarHBondContact CG1-O 3.4Å; I87-V89 HydrophobicContact CG2-CG2 4.13Å; I87-R137 CarbonylContact C-O 3.36Å; I87-R137 WeakPolarHBondContact CA-O 3.48Å; I87-R137 HydrophobicContact CG1-CB 4.23Å; I87-R137 HydrophobicContact CG2-CB 4.4Å; I87-L139 HydrophobicContact CG2-CD1 3.74Å; I87-I247 HydrophobicContact CD1-CG1 4.43Å; I87-I247 HydrophobicContact CD1-CG2 3.73Å; I87-I247 HydrophobicContact CG2-CG1 4.33Å
88L98.9Very high97.3Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-106.3121.4174.2178.166.9000109.8L9 V85 T122 I123 F126 M130 R137 I138 L139L9-L88 HydrophobicContact CB-CD1 4.24Å; L9-L88 HydrophobicContact CD2-CD1 3.62Å; V85-L88 HydrophobicContact CG1-CB 4.22Å; L88-T122 HydrophobicContact CD1-CG2 3.99Å; L88-T122 HydrophobicContact CD2-CG2 4.28Å; L88-I123 HydrophobicContact CD2-CG1 4.15Å; L88-F126 HydrophobicContact CD1-CD2 3.93Å; L88-F126 HydrophobicContact CD1-CE2 4.32Å; L88-F126 HydrophobicContact CD1-CG 4.41Å; L88-F126 HydrophobicContact CD2-CB 4.15Å; L88-F126 HydrophobicContact CD2-CD2 4.2Å; L88-F126 HydrophobicContact CD2-CG 4.48Å; L88-M130 HydrophobicContact CB-CE 3.56Å; L88-R137 PolarHBondContact N-O 2.9Å; L88-I138 CarbonylContact O-C 3.53Å; L88-I138 WeakPolarHBondContact O-CA 3.37Å; L88-L139 PolarHBondContact O-N 3.1Å
89V98.9Very high97.3Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-109.1106176.6-173.20000110.3V8 L9 I10 T11 L21 I87 N91 L139 F243V8-V89 HydrophobicContact CG1-CG2 4.28Å; L9-V89 PolarHBondContact O-N 2.75Å; I10-V89 HydrophobicContact CB-CB 4.23Å; I10-V89 HydrophobicContact CG1-CB 4.01Å; I10-V89 HydrophobicContact CG1-CG2 4.04Å; I10-V89 HydrophobicContact CG2-CB 4.01Å; I10-V89 HydrophobicContact CG2-CG1 4.1Å; T11-V89 PolarHBondContact N-O 2.83Å; T11-V89 PolarHBondContact OG1-O 3.19Å; L21-V89 HydrophobicContact CD2-CG1 3.96Å; L21-V89 HydrophobicContact CD2-CG2 4.15Å; I87-V89 HydrophobicContact CG2-CG2 4.13Å; V89-N91 HydrophobicContact CG1-CB 4.12Å; V89-N91 PolarHBondContact O-N 3.15Å; V89-L139 CarbonylContact C-O 3.5Å; V89-L139 VanDerWaalsContact CA-O 3.32Å; V89-L139 WeakPolarHBondContact CA-O 3.46Å; V89-L139 HydrophobicContact CG1-CB 4.45Å; V89-L139 HydrophobicContact CG2-CB 4.24Å; V89-L139 HydrophobicContact CG2-CD1 4.15Å; V89-F243 HydrophobicContact CG1-CD1 4.29Å; V89-F243 HydrophobicContact CG1-CE1 3.72Å; V89-F243 HydrophobicContact CG1-CZ 4.49Å
90C98.9Very high97.2Very high3 Ų330.2 Ų30.22%0.0216%0.163CC..EExtended strand (participates in β ladder)trans-88.189.7174.4-58.40000109.7T11 T119 L139 V140 T141T11-C90 WeakPolarHBondContact OG1-CA 3.37Å; C90-T119 HydrophobicContact CB-CG2 3.67Å; C90-L139 PolarHBondContact N-O 3.33Å; C90-V140 HydrophobicContact CB-CG1 4.42Å; C90-V140 HydrophobicContact CB-CG2 4.12Å; C90-V140 WeakPolarHBondContact O-CA 3.22Å; C90-T141 PolarHBondContact O-N 3.37Å
91N98.8Very high97Very high24 Ų2435.5 Ų35.513%0.12819%0.188CC..  trans-112.5-21.9-175.9164.683.6000113.5T11 G12 G18 V89 G93 T141T11-N91 VanDerWaalsContact O-CB 3.27Å; T11-N91 WeakPolarHBondContact O-CB 3.36Å; T11-N91 PolarHBondContact O-ND2 3.35Å; T11-N91 PolarHBondContact OG1-N 3.45Å; G12-N91 PolarHBondContact O-ND2 2.88Å; G18-N91 WeakPolarHBondContact CA-ND2 3.3Å; G18-N91 PolarHBondContact N-ND2 2.86Å; V89-N91 HydrophobicContact CG1-CB 4.12Å; V89-N91 PolarHBondContact O-N 3.15Å; N91-G93 PolarHBondContact O-N 2.92Å; N91-T141 VanDerWaalsContact CA-OG1 3.32Å; N91-T141 WeakPolarHBondContact CA-OG1 3.43Å; N91-T141 VanDerWaalsContact CB-OG1 3.23Å; N91-T141 WeakPolarHBondContact CB-OG1 3.29Å; N91-T141 PolarHBondContact OD1-OG1 3.24Å
92A97.7Very high96.8Very high21 Ų2132.3 Ų32.317%0.17417%0.169CC..  trans-56127.6179.300000111.4T11 V67T11-A92 PolarHBondContact O-N 2.82Å; T11-A92 PolarHBondContact OG1-N 2.9Å; T11-A92 VanDerWaalsContact OG1-N 3.07Å; V67-A92 HydrophobicContact CG1-CB 4Å; V67-A92 HydrophobicContact CG2-CB 4.24Å
93G96.7Very high96.7Very high32 Ų3230.4 Ų30.433%0.3316%0.16SC..  trans-163.1159.6-178.600000112.8N91 N115N91-G93 PolarHBondContact O-N 2.92Å; G93-N115 WeakPolarHBondContact CA-OD1 3.32Å
94V96.6Very high96.6Very high44 Ų4425.9 Ų25.927%0.26715%0.147SC..  trans-134.3150.3177.3-69.30000110.2I111 V114 N115V94-I111 HydrophobicContact CB-CD1 4.23Å; V94-I111 HydrophobicContact CG2-CD1 3.56Å; V94-V114 HydrophobicContact CG1-CG1 4.35Å; V94-V114 HydrophobicContact CG2-CB 3.83Å; V94-V114 HydrophobicContact CG2-CG1 4.03Å; V94-V114 HydrophobicContact CG2-CG2 4.09Å; V94-N115 PolarHBondContact N-OD1 2.96Å; V94-N115 PolarHBondContact O-ND2 2.92Å; V94-N115 PolarHBondContact O-OD1 3.45Å
95G95.1Very high96.6Very high2 Ų228.4 Ų28.42%0.02116%0.164CC..  trans-107.5157.1177.300000112.4Q198G95-Q198 PolarHBondContact O-N 2.72Å
96L95.1Very high96.5Very high6 Ų633.3 Ų33.33%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-138.9131.4170.5-175.263.6000109.4Q103 T107 M108 I111 M155 Q198L96-Q103 VanDerWaalsContact CD1-OE1 3.31Å; L96-Q103 HydrophobicContact CD2-CB 4.39Å; L96-Q103 HydrophobicContact CD2-CG 4.13Å; L96-T107 HydrophobicContact CD1-CG2 3.38Å; L96-T107 HydrophobicContact CD2-CG2 3.74Å; L96-T107 HydrophobicContact CG-CG2 4.17Å; L96-M108 HydrophobicContact CD2-CG 4.4Å; L96-I111 HydrophobicContact CB-CD1 3.82Å; L96-I111 HydrophobicContact CB-CG1 3.78Å; L96-I111 HydrophobicContact CD2-CG1 4.12Å; L96-M155 HydrophobicContact CD2-CB 4.11Å; L96-Q198 CarbonylContact C-O 3.48Å; L96-Q198 VanDerWaalsContact CA-O 3.31Å; L96-Q198 WeakPolarHBondContact CA-O 3.27Å; L96-Q198 HydrophobicContact CD1-CB 3.91Å; L96-Q198 HydrophobicContact CD1-CG 3.79Å; L96-Q198 WeakPolarHBondContact CD1-O 3.2Å
97M95.9Very high96.3Very high14 Ų1433.5 Ų33.57%0.06919%0.192CC..EExtended strand (participates in β ladder)trans-138.5137.7178.7-173178.367.200112.5F152 L197 Q198 K199 A200 Y218 Y221 L222M97-F152 CarbonylContact C-O 3.45Å; M97-F152 WeakPolarHBondContact CA-O 3.44Å; M97-L197 HydrophobicContact CB-CD1 4.28Å; M97-L197 HydrophobicContact CB-CD2 4.1Å; M97-L197 HydrophobicContact CB-CG 4.35Å; M97-L197 HydrophobicContact CE-CD2 3.93Å; M97-L197 HydrophobicContact SD-CD2 4.25Å; M97-Q198 PolarHBondContact N-O 2.69Å; M97-K199 HydrophobicContact CB-CB 4.15Å; M97-K199 HydrophobicContact CE-CB 3.7Å; M97-K199 HydrophobicContact CE-CD 3.92Å; M97-K199 HydrophobicContact CE-CG 4.43Å; M97-K199 CarbonylContact O-C 3.58Å; M97-K199 WeakPolarHBondContact O-CA 3.35Å; M97-A200 PolarHBondContact O-N 2.9Å; M97-Y218 HydrophobicContact CG-CE2 4.31Å; M97-Y221 HydrophobicContact CG-CE1 4.16Å; M97-Y221 HydrophobicContact SD-CD1 4.37Å; M97-Y221 HydrophobicContact SD-CE1 3.74Å; M97-L222 HydrophobicContact CE-CD2 3.35Å; M97-L222 HydrophobicContact SD-CD2 4.17Å
98G95.9Very high96.2Very high1 Ų134.9 Ų34.91%0.0120%0.199CC..SBendtrans143.6176.9173.600000112.4L100 F152G98-L100 PolarHBondContact O-N 2.78Å; G98-F152 PolarHBondContact N-O 2.85Å
99P96.9Very high96.2Very high0 Ų041.9 Ų41.90%023%0.226CC..  trans-55137.3175.3-23.534000111.1V102 Q103 F152 L207 V210 T214 Y218P99-V102 HydrophobicContact CB-CG2 4.18Å; P99-V102 WeakPolarHBondContact O-CG2 3.22Å; P99-Q103 WeakPolarHBondContact O-CG 3.33Å; P99-Q103 PolarHBondContact O-NE2 3.02Å; P99-Q103 VanDerWaalsContact O-NE2 3.09Å; P99-F152 HydrophobicContact CG-CD1 4.33Å; P99-F152 HydrophobicContact CG-CE1 4.33Å; P99-L207 HydrophobicContact CG-CD2 3.94Å; P99-V210 HydrophobicContact CB-CG1 4.33Å; P99-V210 HydrophobicContact CB-CG2 4.21Å; P99-V210 HydrophobicContact CG-CG1 4.34Å; P99-V210 HydrophobicContact CG-CG2 4.44Å; P99-T214 HydrophobicContact CB-CG2 4.2Å; P99-T214 HydrophobicContact CG-CG2 4.34Å; P99-Y218 HydrophobicContact CG-CD1 4.32Å; P99-Y218 HydrophobicContact CG-CG 4.36Å
100L95.9Very high96.1Very high79 Ų7945.5 Ų45.541%0.41424%0.239SC..G310 helixtrans-67.4-39.9-172.417861.9000111.6G98 V102 Q103 M108 E154G98-L100 PolarHBondContact O-N 2.78Å; L100-V102 PolarHBondContact O-N 2.67Å; L100-V102 VanDerWaalsContact O-N 3.14Å; L100-Q103 WeakPolarHBondContact O-CB 3.5Å; L100-Q103 PolarHBondContact O-N 2.86Å; L100-M108 HydrophobicContact CD1-SD 4.1Å; L100-E154 HydrophobicContact CD1-CB 4.34Å; L100-E154 HydrophobicContact CD2-CG 4.45Å
101E94.1Very high96.1Very high115 Ų11545.5 Ų45.554%0.53724%0.239SC..G310 helixtrans-64.1-15.6-17662.2-90.8-145.900114.2V210E101-V210 HydrophobicContact CG-CG2 4.14Å
102V93.1Very high96.1Very high34 Ų3447.2 Ų47.221%0.20625%0.248CC..G310 helixtrans-101.8-6.3175.1-57.80000113.5P99 L100 S104 S206 L207 V210P99-V102 HydrophobicContact CB-CG2 4.18Å; P99-V102 WeakPolarHBondContact O-CG2 3.22Å; L100-V102 PolarHBondContact O-N 2.67Å; L100-V102 VanDerWaalsContact O-N 3.14Å; V102-S104 PolarHBondContact O-N 3.2Å; V102-S206 WeakPolarHBondContact CG1-O 3.49Å; V102-L207 HydrophobicContact CG1-CD2 4.36Å; V102-L207 HydrophobicContact CG2-CD2 3.99Å; V102-V210 HydrophobicContact CG1-CG2 3.23Å
103Q93Very high96.1Very high28 Ų2849.3 Ų49.313%0.13125%0.254CS..  trans-75.1124.9-179.7-55.9-54.1-31.800110.5L96 P99 L100 M108L96-Q103 VanDerWaalsContact CD1-OE1 3.31Å; L96-Q103 HydrophobicContact CD2-CB 4.39Å; L96-Q103 HydrophobicContact CD2-CG 4.13Å; P99-Q103 WeakPolarHBondContact O-CG 3.33Å; P99-Q103 PolarHBondContact O-NE2 3.02Å; P99-Q103 VanDerWaalsContact O-NE2 3.09Å; L100-Q103 WeakPolarHBondContact O-CB 3.5Å; L100-Q103 PolarHBondContact O-N 2.86Å; Q103-M108 HydrophobicContact CB-CG 3.98Å; Q103-M108 HydrophobicContact CB-SD 4.13Å
104S93.9Very high96.2Very high56 Ų5648 Ų4839%0.39224%0.24SC..  trans-68.7145.3176.185.30000111.3V102 D106 T107 M108V102-S104 PolarHBondContact O-N 3.2Å; S104-D106 PolarHBondContact O-N 3.15Å; S104-T107 WeakPolarHBondContact O-CB 3.48Å; S104-T107 PolarHBondContact O-N 3.42Å; S104-T107 VanDerWaalsContact O-N 3.16Å; S104-T107 WeakPolarHBondContact OG-CB 3.18Å; S104-T107 PolarHBondContact OG-N 3.16Å; S104-T107 PolarHBondContact OG-OG1 3.17Å; S104-M108 WeakPolarHBondContact O-CG 3.33Å; S104-M108 PolarHBondContact O-N 3.37Å
105L96.2Very high96.3Very high112 Ų11246.2 Ų46.259%0.58623%0.228SC*.Hα-helixtrans-57-34175.1-75.9168000112.5M108 R109L105-M108 HydrophobicContact CD2-CE 3.62Å; L105-M108 HydrophobicContact CG-CE 4.14Å; L105-M108 PolarHBondContact O-N 2.83Å; L105-R109 WeakPolarHBondContact O-CB 3.41Å; L105-R109 VanDerWaalsContact O-CG 3.25Å; L105-R109 WeakPolarHBondContact O-CG 3.47Å; L105-R109 PolarHBondContact O-N 3.06Å
106D97Very high96.5Very high110 Ų11047.8 Ų47.859%0.58824%0.236SC*.Hα-helixtrans-71-39.1180-66.2-26.4000111.8S104 R109 R110S104-D106 PolarHBondContact O-N 3.15Å; D106-R109 PolarHBondContact O-N 3.5Å; D106-R109 IonicContact OD1-NH1 3.15Å; D106-R109 PolarHBondContact OD1-NH1 3.13Å; D106-R110 WeakPolarHBondContact O-CB 3.49Å; D106-R110 PolarHBondContact O-N 2.67Å
107T95.1Very high96.6Very high19 Ų1951.2 Ų51.212%0.11725%0.254CS..Hα-helixtrans-60-49.5170-61.60000110.6L96 S104 R109 R110 I111 Q198L96-T107 HydrophobicContact CD1-CG2 3.38Å; L96-T107 HydrophobicContact CD2-CG2 3.74Å; L96-T107 HydrophobicContact CG-CG2 4.17Å; S104-T107 WeakPolarHBondContact O-CB 3.48Å; S104-T107 PolarHBondContact O-N 3.42Å; S104-T107 VanDerWaalsContact O-N 3.16Å; S104-T107 WeakPolarHBondContact OG-CB 3.18Å; S104-T107 PolarHBondContact OG-N 3.16Å; S104-T107 PolarHBondContact OG-OG1 3.17Å; T107-R109 PolarHBondContact O-N 3.43Å; T107-R110 WeakPolarHBondContact O-CB 3.33Å; T107-R110 PolarHBondContact O-N 2.93Å; T107-R110 VanDerWaalsContact O-N 3.12Å; T107-I111 WeakPolarHBondContact O-CG1 3.36Å; T107-I111 PolarHBondContact O-N 2.86Å; T107-I111 VanDerWaalsContact O-N 3.12Å; T107-Q198 VanDerWaalsContact CG2-CD 3.48Å; T107-Q198 PolarHBondContact OG1-NE2 2.91Å
108M97Very high96.8Very high33 Ų3350.5 Ų50.516%0.16325%0.251CS..Hα-helixtrans-61.1-43-179.8-64.2-165.4-79.900112.2L96 L100 Q103 S104 L105 R110 I111 L112 M155L96-M108 HydrophobicContact CD2-CG 4.4Å; L100-M108 HydrophobicContact CD1-SD 4.1Å; Q103-M108 HydrophobicContact CB-CG 3.98Å; Q103-M108 HydrophobicContact CB-SD 4.13Å; S104-M108 WeakPolarHBondContact O-CG 3.33Å; S104-M108 PolarHBondContact O-N 3.37Å; L105-M108 HydrophobicContact CD2-CE 3.62Å; L105-M108 HydrophobicContact CG-CE 4.14Å; L105-M108 PolarHBondContact O-N 2.83Å; M108-R110 VanDerWaalsContact C-N 3.34Å; M108-R110 PolarHBondContact O-N 2.98Å; M108-I111 PolarHBondContact O-N 2.82Å; M108-L112 PolarHBondContact O-N 3.44Å; M108-M155 HydrophobicContact CB-CE 4.13Å; M108-M155 HydrophobicContact CB-CG 4.04Å; M108-M155 HydrophobicContact CB-SD 4.37Å; M108-M155 HydrophobicContact CG-CG 3.66Å; M108-M155 HydrophobicContact CG-SD 4.45Å; M108-M155 HydrophobicContact SD-CG 3.59Å; M108-M155 VanDerWaalsContact SD-CG 3.59Å; M108-M155 HydrophobicContact SD-SD 4.05Å
109R98.1Very high96.9Very high147 Ų14750.9 Ų50.956%0.55525%0.253SS*.Hα-helixtrans-59.7-43.8172.8-76.5173-174.6136.6-0111.5L105 D106 T107 I111 L112 E113L105-R109 WeakPolarHBondContact O-CB 3.41Å; L105-R109 VanDerWaalsContact O-CG 3.25Å; L105-R109 WeakPolarHBondContact O-CG 3.47Å; L105-R109 PolarHBondContact O-N 3.06Å; D106-R109 PolarHBondContact O-N 3.5Å; D106-R109 IonicContact OD1-NH1 3.15Å; D106-R109 PolarHBondContact OD1-NH1 3.13Å; T107-R109 PolarHBondContact O-N 3.43Å; R109-I111 VanDerWaalsContact C-N 3.29Å; R109-I111 PolarHBondContact O-N 3.15Å; R109-L112 PolarHBondContact O-N 2.77Å; R109-E113 WeakPolarHBondContact O-CB 3.38Å; R109-E113 PolarHBondContact O-N 2.94Å
110R97.6Very high97Very high76 Ų7652.5 Ų52.529%0.28726%0.261SS..Hα-helixtrans-59.9-38.6179.8178.761.1-174164.55.4112.2R40 T68 D106 T107 M108 E113 V114R40-R110 VanDerWaalsContact NH1-NH2 3.12Å; T68-R110 PolarHBondContact OG1-NH1 2.74Å; D106-R110 WeakPolarHBondContact O-CB 3.49Å; D106-R110 PolarHBondContact O-N 2.67Å; T107-R110 WeakPolarHBondContact O-CB 3.33Å; T107-R110 PolarHBondContact O-N 2.93Å; T107-R110 VanDerWaalsContact O-N 3.12Å; M108-R110 VanDerWaalsContact C-N 3.34Å; M108-R110 PolarHBondContact O-N 2.98Å; R110-E113 PolarHBondContact O-N 3.03Å; R110-V114 VanDerWaalsContact NE-CG2 3.33Å; R110-V114 WeakPolarHBondContact O-CG2 3.48Å; R110-V114 PolarHBondContact O-N 2.72Å
111I98Very high97.1Very high2 Ų250.5 Ų50.51%0.0125%0.25CC..Hα-helixtrans-61.1-49.3175.9-59.8-53000110.9V94 L96 T107 M108 R109 V114 N115V94-I111 HydrophobicContact CB-CD1 4.23Å; V94-I111 HydrophobicContact CG2-CD1 3.56Å; L96-I111 HydrophobicContact CB-CD1 3.82Å; L96-I111 HydrophobicContact CB-CG1 3.78Å; L96-I111 HydrophobicContact CD2-CG1 4.12Å; T107-I111 WeakPolarHBondContact O-CG1 3.36Å; T107-I111 PolarHBondContact O-N 2.86Å; T107-I111 VanDerWaalsContact O-N 3.12Å; M108-I111 PolarHBondContact O-N 2.82Å; R109-I111 VanDerWaalsContact C-N 3.29Å; R109-I111 PolarHBondContact O-N 3.15Å; I111-V114 PolarHBondContact O-N 2.87Å; I111-N115 VanDerWaalsContact O-CB 3.28Å; I111-N115 WeakPolarHBondContact O-CB 3.38Å; I111-N115 PolarHBondContact O-N 2.84Å
112L98.6Very high97.3Very high60 Ų6045 Ų4531%0.31422%0.224SC..Hα-helixtrans-65.1-40.4177.9-63.9179.3000112.2M108 R109 V114 L116 L117 M155M108-L112 PolarHBondContact O-N 3.44Å; R109-L112 PolarHBondContact O-N 2.77Å; L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 3.04Å; L112-L116 WeakPolarHBondContact O-CA 3.49Å; L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 PolarHBondContact O-N 3.33Å; L112-L117 PolarHBondContact O-N 3.06Å; L112-M155 HydrophobicContact CD1-CE 3.82Å; L112-M155 HydrophobicContact CD2-CE 3.94Å; L112-M155 HydrophobicContact CG-CE 3.72Å
113E98.5Very high97.6Very high65 Ų6543.6 Ų43.630%0.30422%0.215SC..Iπ-helixtrans-61.3-42.7-179.6-16862.2-139.300111.4T68 R109 R110 L117 G118T68-E113 HydrophobicContact CG2-CB 4.38Å; T68-E113 HydrophobicContact CG2-CG 3.75Å; R109-E113 WeakPolarHBondContact O-CB 3.38Å; R109-E113 PolarHBondContact O-N 2.94Å; R110-E113 PolarHBondContact O-N 3.03Å; E113-L117 WeakPolarHBondContact OE2-CD1 3.42Å; E113-G118 WeakPolarHBondContact O-CA 3.21Å; E113-G118 PolarHBondContact O-N 2.95Å
114V98.4Very high97.9Very high5 Ų547.3 Ų47.33%0.0323%0.233CC..Iπ-helixtrans-77.3-57178.9177.60000111.5V67 T68 V94 R110 I111 L112 G118V67-V114 HydrophobicContact CG2-CG1 4.19Å; T68-V114 HydrophobicContact CG2-CB 4.31Å; T68-V114 HydrophobicContact CG2-CG2 3.65Å; V94-V114 HydrophobicContact CG1-CG1 4.35Å; V94-V114 HydrophobicContact CG2-CB 3.83Å; V94-V114 HydrophobicContact CG2-CG1 4.03Å; V94-V114 HydrophobicContact CG2-CG2 4.09Å; R110-V114 VanDerWaalsContact NE-CG2 3.33Å; R110-V114 WeakPolarHBondContact O-CG2 3.48Å; R110-V114 PolarHBondContact O-N 2.72Å; I111-V114 PolarHBondContact O-N 2.87Å; L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 3.04Å; V114-G118 WeakPolarHBondContact O-CA 3.42Å
115N98.7Very high98.1Very high6 Ų645 Ų453%0.03222%0.216CC..Iπ-helixtrans-75.4-39.2-165.3-65.6-1.6000111.8G93 V94 I111 T119 S159G93-N115 WeakPolarHBondContact CA-OD1 3.32Å; V94-N115 PolarHBondContact N-OD1 2.96Å; V94-N115 PolarHBondContact O-ND2 2.92Å; V94-N115 PolarHBondContact O-OD1 3.45Å; I111-N115 VanDerWaalsContact O-CB 3.28Å; I111-N115 WeakPolarHBondContact O-CB 3.38Å; I111-N115 PolarHBondContact O-N 2.84Å; N115-T119 WeakPolarHBondContact O-CB 3.32Å; N115-T119 PolarHBondContact O-OG1 3.08Å; N115-S159 PolarHBondContact ND2-OG 2.84Å
116L98.8Very high98.2Very high36 Ų3640.1 Ų40.119%0.18819%0.19CC..Iπ-helixtrans-96.8-68.6-178.4176.563.9000110.9L112 G118 T119 I120 A162 I163L112-L116 WeakPolarHBondContact O-CA 3.49Å; L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 PolarHBondContact O-N 3.33Å; L116-G118 VanDerWaalsContact C-N 3.31Å; L116-G118 PolarHBondContact O-N 3.15Å; L116-T119 PolarHBondContact O-N 3.16Å; L116-I120 HydrophobicContact CD1-CG1 4.22Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 2.92Å; L116-A162 HydrophobicContact CD1-CB 3.78Å; L116-A162 HydrophobicContact CD2-CB 3.69Å; L116-A162 HydrophobicContact CG-CB 4.23Å; L116-I163 HydrophobicContact CD1-CD1 3.95Å
117L98.7Very high98.3Very high77 Ų7736 Ų3640%0.40317%0.168SC..Iπ-helixtrans-65.3-36.9-172.3-66.7-180000111.7L112 E113 T119 I120 Q121L112-L117 PolarHBondContact O-N 3.06Å; E113-L117 WeakPolarHBondContact OE2-CD1 3.42Å; L117-T119 PolarHBondContact O-N 3.49Å; L117-I120 PolarHBondContact O-N 2.8Å; L117-Q121 VanDerWaalsContact O-CB 3.29Å; L117-Q121 WeakPolarHBondContact O-CB 3.41Å; L117-Q121 WeakPolarHBondContact O-CG 3.19Å; L117-Q121 PolarHBondContact O-N 2.86Å; L117-Q121 PolarHBondContact O-NE2 2.79Å
118G98.8Very high98.4Very high0 Ų039.1 Ų39.10%019%0.191CC..Iπ-helixtrans-63.1-41.8176.500000112.9V67 E113 V114 L116 T122V67-G118 WeakPolarHBondContact O-CA 3.48Å; E113-G118 WeakPolarHBondContact O-CA 3.21Å; E113-G118 PolarHBondContact O-N 2.95Å; V114-G118 WeakPolarHBondContact O-CA 3.42Å; L116-G118 VanDerWaalsContact C-N 3.31Å; L116-G118 PolarHBondContact O-N 3.15Å; G118-T122 WeakPolarHBondContact O-CB 3.23Å; G118-T122 PolarHBondContact O-N 3.18Å; G118-T122 PolarHBondContact O-OG1 2.99Å
119T98.8Very high98.4Very high9 Ų938.9 Ų38.96%0.05520%0.197CC..Hα-helixtrans-62-50.2172.8-59.30000111.3C90 N115 L116 L117 Q121 T122 I123 V140 I163C90-T119 HydrophobicContact CB-CG2 3.67Å; N115-T119 WeakPolarHBondContact O-CB 3.32Å; N115-T119 PolarHBondContact O-OG1 3.08Å; L116-T119 PolarHBondContact O-N 3.16Å; L117-T119 PolarHBondContact O-N 3.49Å; T119-Q121 PolarHBondContact O-N 2.98Å; T119-T122 WeakPolarHBondContact O-CB 3.43Å; T119-T122 PolarHBondContact O-N 2.98Å; T119-I123 HydrophobicContact CG2-CD1 3.93Å; T119-I123 WeakPolarHBondContact O-CG1 3.45Å; T119-I123 PolarHBondContact O-N 3.48Å; T119-V140 HydrophobicContact CG2-CG1 4.26Å; T119-V140 HydrophobicContact CG2-CG2 4.47Å; T119-I163 HydrophobicContact CG2-CD1 3.5Å; T119-I163 HydrophobicContact CG2-CG1 4.06Å
120I98.7Very high98.4Very high34 Ų3432 Ų3217%0.17417%0.171CC..Hα-helixtrans-63.5-43.6-178-64.4-61.4000111.7L116 L117 T122 I123 Q124 I163 A166 L170L116-I120 HydrophobicContact CD1-CG1 4.22Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 2.92Å; L117-I120 PolarHBondContact O-N 2.8Å; I120-T122 VanDerWaalsContact C-N 3.32Å; I120-T122 PolarHBondContact O-N 3.32Å; I120-I123 PolarHBondContact O-N 2.81Å; I120-Q124 HydrophobicContact CG2-CG 4.31Å; I120-Q124 WeakPolarHBondContact O-CB 3.25Å; I120-Q124 VanDerWaalsContact O-CG 3.23Å; I120-Q124 WeakPolarHBondContact O-CG 3.39Å; I120-Q124 PolarHBondContact O-N 3.03Å; I120-I163 HydrophobicContact CD1-CD1 4.22Å; I120-I163 HydrophobicContact CG1-CD1 4.38Å; I120-A166 HydrophobicContact CD1-CB 3.71Å; I120-L170 HydrophobicContact CD1-CD1 4.47Å
121Q98.4Very high98.5Very high36 Ų3631.5 Ų31.517%0.16817%0.171CC..Hα-helixtrans-63.4-40.2176.6-73.2-178.289.400111.7I73 L117 T119 Q124 V125I73-Q121 HydrophobicContact CD1-CB 3.9Å; L117-Q121 VanDerWaalsContact O-CB 3.29Å; L117-Q121 WeakPolarHBondContact O-CB 3.41Å; L117-Q121 WeakPolarHBondContact O-CG 3.19Å; L117-Q121 PolarHBondContact O-N 2.86Å; L117-Q121 PolarHBondContact O-NE2 2.79Å; T119-Q121 PolarHBondContact O-N 2.98Å; Q121-Q124 PolarHBondContact O-N 3.07Å; Q121-V125 WeakPolarHBondContact O-CG2 3.44Å; Q121-V125 PolarHBondContact O-N 2.8Å
122T98.9Very high98.5Very high1 Ų135.8 Ų35.81%0.00621%0.207CC..Hα-helixtrans-59.8-53.4174.9-58.30000110T11 M65 L88 G118 T119 I120 Q124 V125 F126T11-T122 HydrophobicContact CG2-CG2 4.07Å; M65-T122 HydrophobicContact CE-CG2 4.02Å; L88-T122 HydrophobicContact CD1-CG2 3.99Å; L88-T122 HydrophobicContact CD2-CG2 4.28Å; G118-T122 WeakPolarHBondContact O-CB 3.23Å; G118-T122 PolarHBondContact O-N 3.18Å; G118-T122 PolarHBondContact O-OG1 2.99Å; T119-T122 WeakPolarHBondContact O-CB 3.43Å; T119-T122 PolarHBondContact O-N 2.98Å; I120-T122 VanDerWaalsContact C-N 3.32Å; I120-T122 PolarHBondContact O-N 3.32Å; T122-Q124 VanDerWaalsContact C-N 3.33Å; T122-Q124 PolarHBondContact O-N 2.96Å; T122-V125 PolarHBondContact O-N 2.98Å; T122-F126 HydrophobicContact CG2-CD2 4.15Å; T122-F126 HydrophobicContact CG2-CE2 4.16Å; T122-F126 VanDerWaalsContact O-CD2 3.26Å; T122-F126 WeakPolarHBondContact O-CD2 3.27Å; T122-F126 PolarHBondContact O-N 3.07Å
123I98.8Very high98.4Very high3 Ų336 Ų362%0.01521%0.206CC..Hα-helixtrans-55.4-49.4176.8-68168.3000110.5L88 T119 I120 V125 F126 L127 I138 L170L88-I123 HydrophobicContact CD2-CG1 4.15Å; T119-I123 HydrophobicContact CG2-CD1 3.93Å; T119-I123 WeakPolarHBondContact O-CG1 3.45Å; T119-I123 PolarHBondContact O-N 3.48Å; I120-I123 PolarHBondContact O-N 2.81Å; I123-V125 VanDerWaalsContact C-N 3.27Å; I123-V125 PolarHBondContact O-N 2.92Å; I123-F126 PolarHBondContact O-N 2.78Å; I123-F126 VanDerWaalsContact O-N 3.16Å; I123-L127 HydrophobicContact CG2-CB 4.45Å; I123-L127 WeakPolarHBondContact O-CB 3.14Å; I123-L127 PolarHBondContact O-N 2.73Å; I123-I138 HydrophobicContact CD1-CG2 3.94Å; I123-I138 HydrophobicContact CG1-CG2 3.99Å; I123-I138 HydrophobicContact CG2-CD1 4.01Å; I123-L170 HydrophobicContact CD1-CD1 4.37Å; I123-L170 HydrophobicContact CG2-CD1 4.24Å
124Q98.4Very high98.3Very high106 Ų10634.6 Ų34.650%0.49521%0.209SC..Hα-helixtrans-54.1-40.4179.9-78.3177.22.800113.2I120 Q121 T122I120-Q124 HydrophobicContact CG2-CG 4.31Å; I120-Q124 WeakPolarHBondContact O-CB 3.25Å; I120-Q124 VanDerWaalsContact O-CG 3.23Å; I120-Q124 WeakPolarHBondContact O-CG 3.39Å; I120-Q124 PolarHBondContact O-N 3.03Å; Q121-Q124 PolarHBondContact O-N 3.07Å; T122-Q124 VanDerWaalsContact C-N 3.33Å; T122-Q124 PolarHBondContact O-N 2.96Å
125V98.7Very high98.3Very high7 Ų739.1 Ų39.14%0.04223%0.23CC..Hα-helixtrans-69.1-35.3-178.1168.60000112.5I73 L74 R77 Q121 T122 I123I73-V125 HydrophobicContact CB-CG2 4.35Å; I73-V125 HydrophobicContact CG2-CB 3.76Å; I73-V125 HydrophobicContact CG2-CG1 3.82Å; I73-V125 HydrophobicContact CG2-CG2 3.8Å; L74-V125 HydrophobicContact CD2-CG1 3.98Å; L74-V125 HydrophobicContact CD2-CG2 4.11Å; L74-V125 HydrophobicContact CG-CG2 4.47Å; R77-V125 HydrophobicContact CB-CG1 3.97Å; R77-V125 HydrophobicContact CG-CG1 4.23Å; Q121-V125 WeakPolarHBondContact O-CG2 3.44Å; Q121-V125 PolarHBondContact O-N 2.8Å; T122-V125 PolarHBondContact O-N 2.98Å; I123-V125 VanDerWaalsContact C-N 3.27Å; I123-V125 PolarHBondContact O-N 2.92Å
126F98.7Very high98.2Very high10 Ų1039.2 Ų39.24%0.04423%0.232CC..Hα-helixtrans-94.3-20.1-178.2-68-78.6000113.6L9 I73 R77 V85 L88 T122 I123 S128 G129 M130L9-F126 HydrophobicContact CD1-CE1 3.87Å; L9-F126 HydrophobicContact CD1-CE2 4.21Å; L9-F126 HydrophobicContact CD1-CZ 3.45Å; L9-F126 VanDerWaalsContact CD1-CZ 3.45Å; L9-F126 HydrophobicContact CD2-CE2 4.26Å; L9-F126 HydrophobicContact CD2-CZ 4.32Å; L9-F126 HydrophobicContact CG-CZ 4.48Å; I73-F126 HydrophobicContact CG2-CE2 4.08Å; R77-F126 HydrophobicContact CB-CE1 3.66Å; R77-F126 HydrophobicContact CB-CZ 3.71Å; R77-F126 HydrophobicContact CG-CD1 4.12Å; R77-F126 HydrophobicContact CG-CE1 3.64Å; R77-F126 HydrophobicContact CG-CZ 4.2Å; V85-F126 HydrophobicContact CB-CD1 4.13Å; V85-F126 HydrophobicContact CG2-CD1 3.59Å; V85-F126 HydrophobicContact CG2-CE1 3.67Å; L88-F126 HydrophobicContact CD1-CD2 3.93Å; L88-F126 HydrophobicContact CD1-CE2 4.32Å; L88-F126 HydrophobicContact CD1-CG 4.41Å; L88-F126 HydrophobicContact CD2-CB 4.15Å; L88-F126 HydrophobicContact CD2-CD2 4.2Å; L88-F126 HydrophobicContact CD2-CG 4.48Å; T122-F126 HydrophobicContact CG2-CD2 4.15Å; T122-F126 HydrophobicContact CG2-CE2 4.16Å; T122-F126 VanDerWaalsContact O-CD2 3.26Å; T122-F126 WeakPolarHBondContact O-CD2 3.27Å; T122-F126 PolarHBondContact O-N 3.07Å; I123-F126 PolarHBondContact O-N 2.78Å; I123-F126 VanDerWaalsContact O-N 3.16Å; F126-S128 PolarHBondContact O-N 3.16Å; F126-G129 PolarHBondContact O-N 2.73Å; F126-G129 VanDerWaalsContact O-N 3.15Å; F126-M130 PolarHBondContact O-N 2.74Å
127L98.3Very high98.2Very high23 Ų2339.4 Ų39.412%0.1223%0.23CC..Hα-helixtrans-62.7-38.4-170.7-177.460.6000113.7I123 G129 M130 K131 I138 L174 I179I123-L127 HydrophobicContact CG2-CB 4.45Å; I123-L127 WeakPolarHBondContact O-CB 3.14Å; I123-L127 PolarHBondContact O-N 2.73Å; L127-G129 VanDerWaalsContact C-N 3.27Å; L127-G129 PolarHBondContact O-N 2.95Å; L127-M130 PolarHBondContact O-N 3.09Å; L127-K131 HydrophobicContact CD1-CD 4.48Å; L127-K131 HydrophobicContact CD1-CG 4.21Å; L127-K131 HydrophobicContact CG-CD 4.21Å; L127-K131 HydrophobicContact CG-CG 4.35Å; L127-K131 WeakPolarHBondContact O-CB 3.43Å; L127-K131 WeakPolarHBondContact O-CG 3.42Å; L127-K131 PolarHBondContact O-N 2.87Å; L127-I138 HydrophobicContact CD1-CD1 4.44Å; L127-L174 HydrophobicContact CD1-CD1 3.7Å; L127-L174 HydrophobicContact CD1-CD2 3.75Å; L127-L174 HydrophobicContact CD1-CG 4.41Å; L127-L174 HydrophobicContact CD2-CD2 4.36Å; L127-I179 HydrophobicContact CD1-CD1 4.15Å
128S96.7Very high98.3Very high86 Ų8635.8 Ų35.860%0.60121%0.211SC*.Hα-helixtrans-62.9-37.3178.860.90000111.9F126 A132F126-S128 PolarHBondContact O-N 3.16Å; S128-A132 WeakPolarHBondContact O-CB 3.35Å; S128-A132 PolarHBondContact O-N 3.09Å
129G98.1Very high98.3Very high28 Ų2835.9 Ų35.929%0.28921%0.211SC..Hα-helixtrans-65.9-46.8175.900000111.8F126 L127 K131 A132 Q133F126-G129 PolarHBondContact O-N 2.73Å; F126-G129 VanDerWaalsContact O-N 3.15Å; L127-G129 VanDerWaalsContact C-N 3.27Å; L127-G129 PolarHBondContact O-N 2.95Å; G129-K131 PolarHBondContact O-N 2.91Å; G129-A132 PolarHBondContact O-N 3.14Å; G129-Q133 VanDerWaalsContact O-CG 3.3Å; G129-Q133 WeakPolarHBondContact O-CG 3.44Å; G129-Q133 PolarHBondContact O-N 3.4Å; G129-Q133 PolarHBondContact O-NE2 2.5Å
130M98.6Very high98.3Very high2 Ų235.5 Ų35.51%0.0121%0.209CC..Hα-helixtrans-61.3-42.6176.1-66.5177.7162.900111.9V85 L88 F126 L127 A132 Q133 G134 I138 I179V85-M130 HydrophobicContact CB-CE 4.44Å; V85-M130 HydrophobicContact CG1-CE 4.06Å; V85-M130 WeakPolarHBondContact O-CE 3.25Å; L88-M130 HydrophobicContact CB-CE 3.56Å; F126-M130 PolarHBondContact O-N 2.74Å; L127-M130 PolarHBondContact O-N 3.09Å; M130-A132 PolarHBondContact O-N 3.44Å; M130-Q133 WeakPolarHBondContact O-CB 3.45Å; M130-Q133 PolarHBondContact O-N 3.35Å; M130-G134 PolarHBondContact O-N 2.97Å; M130-I138 HydrophobicContact CE-CG1 4.32Å; M130-I138 HydrophobicContact SD-CD1 4.16Å; M130-I138 HydrophobicContact SD-CG1 3.9Å; M130-I179 HydrophobicContact CB-CD1 3.65Å; M130-I179 HydrophobicContact CB-CG1 4.17Å
131K98.4Very high98.3Very high66 Ų6634.5 Ų34.529%0.28721%0.205SC..Hα-helixtrans-63.3-40.2176.8-75.8-175.8172.8-175.90112.4L127 G129 Q133 G134 F177 I179L127-K131 HydrophobicContact CD1-CD 4.48Å; L127-K131 HydrophobicContact CD1-CG 4.21Å; L127-K131 HydrophobicContact CG-CD 4.21Å; L127-K131 HydrophobicContact CG-CG 4.35Å; L127-K131 WeakPolarHBondContact O-CB 3.43Å; L127-K131 WeakPolarHBondContact O-CG 3.42Å; L127-K131 PolarHBondContact O-N 2.87Å; G129-K131 PolarHBondContact O-N 2.91Å; K131-Q133 VanDerWaalsContact C-N 3.29Å; K131-Q133 PolarHBondContact O-N 3.1Å; K131-G134 PolarHBondContact O-N 3.28Å; K131-F177 HydrophobicContact CB-CD1 4.03Å; K131-F177 HydrophobicContact CB-CE1 4.47Å; K131-F177 HydrophobicContact CD-CD1 3.97Å; K131-F177 HydrophobicContact CD-CE1 3.91Å; K131-F177 HydrophobicContact CD-CG 4.36Å; K131-F177 HydrophobicContact CD-CZ 4.26Å; K131-F177 HydrophobicContact CG-CB 4.36Å; K131-F177 HydrophobicContact CG-CD1 3.7Å; K131-F177 HydrophobicContact CG-CE1 4.15Å; K131-F177 HydrophobicContact CG-CG 4Å; K131-I179 HydrophobicContact CB-CD1 4.43Å; K131-I179 HydrophobicContact CG-CD1 3.71Å
132A97.9Very high98.2Very high92 Ų9232.9 Ų32.976%0.7620%0.198SC*.Hα-helixtrans-66.4-32.217600000112.5S128 G129 M130 G134S128-A132 WeakPolarHBondContact O-CB 3.35Å; S128-A132 PolarHBondContact O-N 3.09Å; G129-A132 PolarHBondContact O-N 3.14Å; M130-A132 PolarHBondContact O-N 3.44Å; A132-G134 VanDerWaalsContact C-N 3.3Å
133Q96.3Very high98.1Very high64 Ų6433.3 Ų33.330%0.29920%0.201SC..Hα-helixtrans-73.5-22.3173.9-69.8159.537.700112.8G129 M130 K131 Q135G129-Q133 VanDerWaalsContact O-CG 3.3Å; G129-Q133 WeakPolarHBondContact O-CG 3.44Å; G129-Q133 PolarHBondContact O-N 3.4Å; G129-Q133 PolarHBondContact O-NE2 2.5Å; M130-Q133 WeakPolarHBondContact O-CB 3.45Å; M130-Q133 PolarHBondContact O-N 3.35Å; K131-Q133 VanDerWaalsContact C-N 3.29Å; K131-Q133 PolarHBondContact O-N 3.1Å; Q133-Q135 HydrophobicContact CB-CG 4.33Å; Q133-Q135 PolarHBondContact O-N 2.94Å
134G97.7Very high97.8Very high35 Ų3534 Ų3436%0.36121%0.206SC..THydrogen-bonded Turntrans67.121.7-17500000113.2M130 K131 A132 F177 N178M130-G134 PolarHBondContact O-N 2.97Å; K131-G134 PolarHBondContact O-N 3.28Å; A132-G134 VanDerWaalsContact C-N 3.3Å; G134-F177 CarbonylContact C-O 3.25Å; G134-F177 VanDerWaalsContact C-O 3.25Å; G134-N178 WeakPolarHBondContact O-CB 3.46Å; G134-N178 PolarHBondContact O-ND2 2.99Å; G134-N178 VanDerWaalsContact O-ND2 3.09Å
135Q97.6Very high97.6Very high101 Ų10129 Ų2947%0.47218%0.182SC..  trans-159.7155.7174.461.8176.549.300110.8Q133 N178Q133-Q135 HydrophobicContact CB-CG 4.33Å; Q133-Q135 PolarHBondContact O-N 2.94Å; Q135-N178 WeakPolarHBondContact CA-O 3.38Å
136G98Very high97.5Very high7 Ų728.8 Ų28.87%0.07218%0.181CC..EExtended strand (participates in β ladder)trans166.8165.5170.400000112.8D86 N178 I179 Q180D86-G136 WeakPolarHBondContact O-CA 3.39Å; G136-N178 PolarHBondContact N-O 3.25Å; G136-I179 CarbonylContact O-C 3.54Å; G136-I179 VanDerWaalsContact O-CA 3.29Å; G136-I179 WeakPolarHBondContact O-CA 3.45Å; G136-Q180 PolarHBondContact O-N 3.06Å; G136-Q180 PolarHBondContact O-OE1 3.33Å
137R98.8Very high97.3Very high40 Ų4029.1 Ų29.115%0.15118%0.183CC..EExtended strand (participates in β ladder)trans-126.9133.9173.5-62.7-177.6-177.1-121.7-7.7110.6D86 I87 L88 Q180 A246 I247 S249D86-R137 PolarHBondContact O-N 3.02Å; I87-R137 CarbonylContact C-O 3.36Å; I87-R137 WeakPolarHBondContact CA-O 3.48Å; I87-R137 HydrophobicContact CG1-CB 4.23Å; I87-R137 HydrophobicContact CG2-CB 4.4Å; L88-R137 PolarHBondContact N-O 2.9Å; R137-Q180 CarbonylContact C-O 3.52Å; R137-Q180 WeakPolarHBondContact CA-O 3.26Å; R137-A246 PolarHBondContact NH1-O 3.03Å; R137-I247 PolarHBondContact NH1-O 3.17Å; R137-S249 PolarHBondContact NH1-O 3.1Å; R137-S249 PolarHBondContact NH2-O 2.78Å
138I98.9Very high97Very high1 Ų128.1 Ų28.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-118.6112.7173.4-59.1171000106.8L88 I123 L127 M130 V140 L174 I179 Q180 V181 S182L88-I138 CarbonylContact O-C 3.53Å; L88-I138 WeakPolarHBondContact O-CA 3.37Å; I123-I138 HydrophobicContact CD1-CG2 3.94Å; I123-I138 HydrophobicContact CG1-CG2 3.99Å; I123-I138 HydrophobicContact CG2-CD1 4.01Å; L127-I138 HydrophobicContact CD1-CD1 4.44Å; M130-I138 HydrophobicContact CE-CG1 4.32Å; M130-I138 HydrophobicContact SD-CD1 4.16Å; M130-I138 HydrophobicContact SD-CG1 3.9Å; I138-V140 HydrophobicContact CG2-CG2 4.11Å; I138-L174 HydrophobicContact CD1-CD1 3.99Å; I138-I179 HydrophobicContact CD1-CG2 4.02Å; I138-I179 HydrophobicContact CG1-CG2 4.27Å; I138-Q180 PolarHBondContact N-O 3.46Å; I138-V181 HydrophobicContact CB-CG2 4.35Å; I138-V181 HydrophobicContact CD1-CG2 4.4Å; I138-V181 CarbonylContact O-C 3.56Å; I138-V181 VanDerWaalsContact O-CA 3.32Å; I138-V181 WeakPolarHBondContact O-CA 3.49Å; I138-S182 PolarHBondContact O-N 3.1Å
139L98.9Very high96.9Very high2 Ų225.8 Ų25.81%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-106.6130.4176.2-67.7151.3000107.9I87 L88 V89 C90 S182 I184 F243 A246 I247I87-L139 HydrophobicContact CG2-CD1 3.74Å; L88-L139 PolarHBondContact O-N 3.1Å; V89-L139 CarbonylContact C-O 3.5Å; V89-L139 VanDerWaalsContact CA-O 3.32Å; V89-L139 WeakPolarHBondContact CA-O 3.46Å; V89-L139 HydrophobicContact CG1-CB 4.45Å; V89-L139 HydrophobicContact CG2-CB 4.24Å; V89-L139 HydrophobicContact CG2-CD1 4.15Å; C90-L139 PolarHBondContact N-O 3.33Å; L139-S182 CarbonylContact C-O 3.55Å; L139-S182 WeakPolarHBondContact CA-O 3.34Å; L139-I184 HydrophobicContact CD2-CD1 4.04Å; L139-I184 HydrophobicContact CD2-CG1 4.44Å; L139-F243 HydrophobicContact CB-CD1 4.27Å; L139-F243 HydrophobicContact CB-CE1 4.11Å; L139-F243 HydrophobicContact CD1-CD1 4.44Å; L139-A246 HydrophobicContact CD2-CB 3.47Å; L139-A246 VanDerWaalsContact CD2-CB 3.47Å; L139-I247 HydrophobicContact CD1-CD1 4.04Å; L139-I247 HydrophobicContact CD1-CG1 3.42Å; L139-I247 VanDerWaalsContact CD1-CG1 3.42Å
140V98.9Very high96.8Very high2 Ų226.4 Ų26.41%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-121.3129.1179.3-1770000108.7C90 T119 I138 G142 I163 S182 L183 I184C90-V140 HydrophobicContact CB-CG1 4.42Å; C90-V140 HydrophobicContact CB-CG2 4.12Å; C90-V140 WeakPolarHBondContact O-CA 3.22Å; T119-V140 HydrophobicContact CG2-CG1 4.26Å; T119-V140 HydrophobicContact CG2-CG2 4.47Å; I138-V140 HydrophobicContact CG2-CG2 4.11Å; V140-G142 PolarHBondContact O-N 3.44Å; V140-I163 HydrophobicContact CG1-CG1 3.99Å; V140-S182 PolarHBondContact N-O 3.27Å; V140-L183 HydrophobicContact CB-CD2 3.75Å; V140-L183 HydrophobicContact CG1-CD2 3.85Å; V140-L183 WeakPolarHBondContact O-CA 3.29Å; V140-I184 PolarHBondContact O-N 3.13Å
141T98.7Very high96.7Very high12 Ų1227.7 Ų27.77%0.07417%0.172CC..EExtended strand (participates in β ladder)trans-71.298.5173.9-52.30000108.8I17 C90 N91 K160 F243I17-T141 HydrophobicContact CD1-CG2 4.04Å; C90-T141 PolarHBondContact O-N 3.37Å; N91-T141 VanDerWaalsContact CA-OG1 3.32Å; N91-T141 WeakPolarHBondContact CA-OG1 3.43Å; N91-T141 VanDerWaalsContact CB-OG1 3.23Å; N91-T141 WeakPolarHBondContact CB-OG1 3.29Å; N91-T141 PolarHBondContact OD1-OG1 3.24Å; T141-K160 PolarHBondContact O-NZ 2.84Å; T141-F243 WeakPolarHBondContact OG1-CZ 3.4Å
142G97.4Very high96.6Very high3 Ų325.4 Ų25.43%0.03116%0.162CC..  trans-73.7-165.9175.200000111.9V140 I184V140-G142 PolarHBondContact O-N 3.44Å; G142-I184 CarbonylContact C-O 3.58Å; G142-I184 VanDerWaalsContact CA-O 3.25Å; G142-I184 WeakPolarHBondContact CA-O 3.42Å; G142-I184 PolarHBondContact N-O 3.37Å
143S96.3Very high96.6Very high10 Ų1021.8 Ų21.87%0.0713%0.13CC..  trans-166.2147.9177.1-178.20000109.1G145 G146 Y156 E185 C186S143-G145 PolarHBondContact O-N 2.89Å; S143-G145 VanDerWaalsContact O-N 3.12Å; S143-G145 PolarHBondContact OG-N 3.28Å; S143-G146 WeakPolarHBondContact O-CA 3.41Å; S143-G146 PolarHBondContact O-N 2.98Å; S143-Y156 WeakPolarHBondContact CB-OH 3.36Å; S143-Y156 PolarHBondContact OG-OH 3.44Å; S143-E185 PolarHBondContact N-OE2 3.17Å; S143-C186 WeakPolarHBondContact CA-O 3.11Å
144T92.6Very high96.7Very high18 Ų1822.3 Ų22.311%0.1113%0.132CC..G310 helixtrans-53.6-31.7166.257.90000112.3G146 L147 H148 C186 M262T144-G146 PolarHBondContact O-N 2.92Å; T144-L147 PolarHBondContact O-N 2.97Å; T144-H148 WeakPolarHBondContact O-CB 3.5Å; T144-H148 PolarHBondContact O-N 3.27Å; T144-C186 PolarHBondContact N-O 3.46Å; T144-M262 HydrophobicContact CG2-CB 4.21Å; T144-M262 HydrophobicContact CG2-CG 3.4Å; T144-M262 HydrophobicContact CG2-SD 3.47Å; T144-M262 WeakPolarHBondContact CG2-SD 3.42Å
145G94.5Very high96.7Very high0 Ų022.4 Ų22.40%012%0.124CC..G310 helixtrans-65.7-10.9172.600000115.1S143 H148 C157 F161S143-G145 PolarHBondContact O-N 2.89Å; S143-G145 VanDerWaalsContact O-N 3.12Å; S143-G145 PolarHBondContact OG-N 3.28Å; G145-H148 CarbonylContact C-O 3.55Å; G145-H148 WeakPolarHBondContact CA-O 3.24Å; G145-C157 VanDerWaalsContact O-CA 3.26Å; G145-C157 WeakPolarHBondContact O-CA 3.39Å; G145-C157 WeakPolarHBondContact O-CB 3.41Å; G145-C157 PolarHBondContact O-SG 3.39Å; G145-C157 VanDerWaalsContact O-SG 3.37Å; G145-F161 VanDerWaalsContact O-CD2 3.27Å; G145-F161 WeakPolarHBondContact O-CD2 3.32Å; G145-F161 WeakPolarHBondContact O-CE2 3.5Å
146G96.3Very high96.7Very high2 Ų218.8 Ų18.82%0.02111%0.106CC..G310 helixtrans-87.5-13.916900000113.7S143 T144 K160 F161 E164S143-G146 WeakPolarHBondContact O-CA 3.41Å; S143-G146 PolarHBondContact O-N 2.98Å; T144-G146 PolarHBondContact O-N 2.92Å; G146-K160 VanDerWaalsContact CA-C 3.48Å; G146-K160 VanDerWaalsContact CA-CB 3.45Å; G146-F161 WeakPolarHBondContact O-CD1 3.22Å; G146-F161 WeakPolarHBondContact O-CD2 3.31Å; G146-F161 VanDerWaalsContact O-CE1 3.23Å; G146-F161 WeakPolarHBondContact O-CE1 3.26Å; G146-F161 VanDerWaalsContact O-CG 3.25Å; G146-F161 WeakPolarHBondContact O-CG 3.28Å; G146-F161 WeakPolarHBondContact O-CZ 3.41Å; G146-E164 WeakPolarHBondContact O-CG 3.31Å
147L94.8Very high96.7Very high18 Ų1818.8 Ų18.89%0.09411%0.105CC..THydrogen-bonded Turntrans-106.5-25.7178.7-54.4178.6000111.5T144 F161 E164 E185 F257 K269T144-L147 PolarHBondContact O-N 2.97Å; L147-F161 VanDerWaalsContact O-CZ 3.3Å; L147-F161 WeakPolarHBondContact O-CZ 3.27Å; L147-E164 HydrophobicContact CD2-CG 4.17Å; L147-E185 HydrophobicContact CD1-CG 4.25Å; L147-F257 HydrophobicContact CD1-CE1 3.57Å; L147-F257 HydrophobicContact CD1-CZ 4.16Å; L147-K269 VanDerWaalsContact O-CD 3.26Å; L147-K269 WeakPolarHBondContact O-CD 3.34Å; L147-K269 PolarHBondContact O-NZ 2.91Å
148H92.4Very high96.7Very high2 Ų218.9 Ų18.91%0.00912%0.115CC..SBendtrans-132.3138.5-172-60.4141.7000111.5T144 G145 F161 T266 Y278T144-H148 WeakPolarHBondContact O-CB 3.5Å; T144-H148 PolarHBondContact O-N 3.27Å; G145-H148 CarbonylContact C-O 3.55Å; G145-H148 WeakPolarHBondContact CA-O 3.24Å; H148-F161 VanDerWaalsContact N-CZ 3.3Å; H148-F161 WeakPolarHBondContact O-CE2 3.44Å; H148-T266 PolarHBondContact CE1-OG1 3.1Å; H148-T266 WeakPolarHBondContact NE2-CA 3.4Å; H148-T266 PolarHBondContact NE2-N 3Å; H148-T266 PolarHBondContact NE2-OG1 2.89Å; H148-Y278 WeakPolarHBondContact CA-OH 3.46Å; H148-Y278 HydrophobicContact CB-CE2 4.33Å; H148-Y278 VanDerWaalsContact CB-OH 3.22Å; H148-Y278 WeakPolarHBondContact CB-OH 3.36Å
149G94.4Very high96.7Very high36 Ų3618.9 Ų18.937%0.37111%0.114SC..  trans-81.7119.7172.400000110Y278G149-Y278 PolarHBondContact N-OH 3Å; G149-Y278 PolarHBondContact O-OH 2.99Å
150L95Very high96.7Very high42 Ų4219.8 Ų19.822%0.2212%0.118CC..  trans-107.1135.3178.5-58175.4000109.6N153 C157 M282L150-N153 HydrophobicContact CB-CB 4.22Å; L150-N153 PolarHBondContact O-N 2.93Å; L150-C157 PolarHBondContact N-SG 2.99Å; L150-C157 VanDerWaalsContact N-SG 3.45Å; L150-M282 HydrophobicContact CD2-CE 4.18Å; L150-M282 HydrophobicContact CD2-SD 4.35Å
151P96.2Very high96.6Very high29 Ų2923.2 Ų23.219%0.18813%0.133CC..THydrogen-bonded Turntrans-62.8148.8-179.926.7-33000110.8N153 Y221 I286 F287P151-N153 PolarHBondContact O-N 3.21Å; P151-N153 VanDerWaalsContact O-N 3.08Å; P151-N153 PolarHBondContact O-ND2 2.85Å; P151-Y221 HydrophobicContact CG-CD2 3.77Å; P151-Y221 HydrophobicContact CG-CE2 3.72Å; P151-Y221 WeakPolarHBondContact O-CE1 3.39Å; P151-Y221 PolarHBondContact O-OH 2.83Å; P151-I286 HydrophobicContact CG-CD1 3.51Å; P151-I286 HydrophobicContact CG-CG2 4.41Å; P151-F287 HydrophobicContact CB-CE2 4.42Å; P151-F287 HydrophobicContact CB-CZ 4.03Å; P151-F287 HydrophobicContact CG-CE2 4.17Å; P151-F287 HydrophobicContact CG-CZ 3.88Å
152F97.1Very high96.7Very high18 Ų1824.2 Ų24.28%0.07914%0.143CC..THydrogen-bonded Turntrans61.512-178.4-51-74.7000114.6M97 G98 P99 E154 T214 L217 Y218 Y221 F287M97-F152 CarbonylContact C-O 3.45Å; M97-F152 WeakPolarHBondContact CA-O 3.44Å; G98-F152 PolarHBondContact N-O 2.85Å; P99-F152 HydrophobicContact CG-CD1 4.33Å; P99-F152 HydrophobicContact CG-CE1 4.33Å; F152-E154 VanDerWaalsContact C-OE2 3.25Å; F152-E154 WeakPolarHBondContact CA-OE1 3.4Å; F152-E154 WeakPolarHBondContact CA-OE2 3.43Å; F152-E154 PolarHBondContact N-OE1 3.42Å; F152-T214 HydrophobicContact CE1-CG2 4.09Å; F152-L217 HydrophobicContact CZ-CB 4.05Å; F152-Y218 HydrophobicContact CB-CD2 4.1Å; F152-Y218 HydrophobicContact CB-CE2 4.19Å; F152-Y218 AromaticContact CD1-CD2 3.77Å; F152-Y218 HydrophobicContact CD1-CD2 3.77Å; F152-Y218 HydrophobicContact CD1-CG 4.32Å; F152-Y218 AromaticContact CD2-CD2 3.91Å; F152-Y218 HydrophobicContact CD2-CD2 3.91Å; F152-Y218 HydrophobicContact CE1-CD2 4.11Å; F152-Y218 HydrophobicContact CE1-CG 4.27Å; F152-Y218 HydrophobicContact CE2-CD2 4.23Å; F152-Y218 AromaticContact CG-CD2 3.65Å; F152-Y218 HydrophobicContact CG-CD2 3.65Å; F152-Y218 HydrophobicContact CG-CE2 4.24Å; F152-Y218 HydrophobicContact CZ-CD2 4.31Å; F152-Y218 HydrophobicContact CZ-CG 4.48Å; F152-Y221 HydrophobicContact CB-CD1 3.97Å; F152-Y221 HydrophobicContact CB-CE1 4.05Å; F152-Y221 AromaticContact CD2-CD1 3.5Å; F152-Y221 HydrophobicContact CD2-CD1 3.5Å; F152-Y221 HydrophobicContact CD2-CD2 4.24Å; F152-Y221 HydrophobicContact CD2-CE1 4.25Å; F152-Y221 AromaticContact CD2-CG 3.5Å; F152-Y221 HydrophobicContact CD2-CG 3.5Å; F152-Y221 VanDerWaalsContact CD2-CG 3.5Å; F152-Y221 HydrophobicContact CE2-CD1 4.41Å; F152-Y221 HydrophobicContact CE2-CG 4.06Å; F152-Y221 HydrophobicContact CG-CD1 4.12Å; F152-F287 HydrophobicContact CE2-CE1 4.18Å; F152-F287 HydrophobicContact CE2-CZ 4.06Å
153N97.4Very high96.7Very high16 Ų1624.2 Ų24.29%0.08614%0.142CC..  trans-125.823.8178.5-73.1-102.8000110.8L150 P151 M155 Y156 C157 Y221L150-N153 HydrophobicContact CB-CB 4.22Å; L150-N153 PolarHBondContact O-N 2.93Å; P151-N153 PolarHBondContact O-N 3.21Å; P151-N153 VanDerWaalsContact O-N 3.08Å; P151-N153 PolarHBondContact O-ND2 2.85Å; N153-M155 VanDerWaalsContact C-N 3.3Å; N153-M155 PolarHBondContact O-N 3.49Å; N153-M155 VanDerWaalsContact O-N 3.16Å; N153-Y156 HydrophobicContact CB-CD1 4.45Å; N153-Y156 PolarHBondContact O-N 3.35Å; N153-C157 WeakPolarHBondContact O-CB 3.35Å; N153-C157 PolarHBondContact O-N 3.33Å; N153-Y221 WeakPolarHBondContact ND2-CE1 3.28Å; N153-Y221 PolarHBondContact ND2-OH 2.91Å
154E97.9Very high96.8Very high74 Ų7424.3 Ų24.335%0.34614%0.141SC..Hα-helixtrans-52.9-47.6-166-64.173.6-162.100111.4L100 F152 A158L100-E154 HydrophobicContact CD1-CB 4.34Å; L100-E154 HydrophobicContact CD2-CG 4.45Å; F152-E154 VanDerWaalsContact C-OE2 3.25Å; F152-E154 WeakPolarHBondContact CA-OE1 3.4Å; F152-E154 WeakPolarHBondContact CA-OE2 3.43Å; F152-E154 PolarHBondContact N-OE1 3.42Å; E154-A158 WeakPolarHBondContact O-CB 3.46Å; E154-A158 PolarHBondContact O-N 3.35Å
155M97.8Very high97.1Very high38 Ų3825.2 Ų25.219%0.18716%0.155CC..Hα-helixtrans-76.9-32.3179.7-73.7-56.5-49.800114.2L96 M108 L112 N153 S159L96-M155 HydrophobicContact CD2-CB 4.11Å; M108-M155 HydrophobicContact CB-CE 4.13Å; M108-M155 HydrophobicContact CB-CG 4.04Å; M108-M155 HydrophobicContact CB-SD 4.37Å; M108-M155 HydrophobicContact CG-CG 3.66Å; M108-M155 HydrophobicContact CG-SD 4.45Å; M108-M155 HydrophobicContact SD-CG 3.59Å; M108-M155 VanDerWaalsContact SD-CG 3.59Å; M108-M155 HydrophobicContact SD-SD 4.05Å; L112-M155 HydrophobicContact CD1-CE 3.82Å; L112-M155 HydrophobicContact CD2-CE 3.94Å; L112-M155 HydrophobicContact CG-CE 3.72Å; N153-M155 VanDerWaalsContact C-N 3.3Å; N153-M155 PolarHBondContact O-N 3.49Å; N153-M155 VanDerWaalsContact O-N 3.16Å; M155-S159 WeakPolarHBondContact O-CB 3.25Å; M155-S159 PolarHBondContact O-N 2.92Å
156Y98.1Very high97.3Very high25 Ų2526.5 Ų26.510%0.09817%0.165CC..Hα-helixtrans-64.9-51.8172.7170.7-104.6000110.1S143 N153 A158 S159 K160 F193S143-Y156 WeakPolarHBondContact CB-OH 3.36Å; S143-Y156 PolarHBondContact OG-OH 3.44Å; N153-Y156 HydrophobicContact CB-CD1 4.45Å; N153-Y156 PolarHBondContact O-N 3.35Å; Y156-A158 PolarHBondContact O-N 3.12Å; Y156-S159 PolarHBondContact O-N 3.21Å; Y156-S159 VanDerWaalsContact O-N 3.16Å; Y156-S159 PolarHBondContact O-OG 3.43Å; Y156-K160 HydrophobicContact CD2-CG 4.45Å; Y156-K160 HydrophobicContact CE1-CG 4.23Å; Y156-K160 HydrophobicContact CE2-CD 4.44Å; Y156-K160 HydrophobicContact CE2-CG 3.94Å; Y156-K160 PolarHBondContact O-N 3.03Å; Y156-K160 VanDerWaalsContact O-N 3.08Å; Y156-K160 WeakPolarHBondContact OH-CE 3.3Å; Y156-F193 HydrophobicContact CD2-CZ 4.47Å; Y156-F193 AromaticContact CE2-CZ 3.82Å; Y156-F193 HydrophobicContact CE2-CZ 3.82Å
157C98.4Very high97.4Very high6 Ų626.4 Ų26.44%0.04116%0.164CC..Hα-helixtrans-55.1-52173.4-77.20000110.7G145 L150 N153 S159 K160 F161G145-C157 VanDerWaalsContact O-CA 3.26Å; G145-C157 WeakPolarHBondContact O-CA 3.39Å; G145-C157 WeakPolarHBondContact O-CB 3.41Å; G145-C157 PolarHBondContact O-SG 3.39Å; G145-C157 VanDerWaalsContact O-SG 3.37Å; L150-C157 PolarHBondContact N-SG 2.99Å; L150-C157 VanDerWaalsContact N-SG 3.45Å; N153-C157 WeakPolarHBondContact O-CB 3.35Å; N153-C157 PolarHBondContact O-N 3.33Å; C157-S159 PolarHBondContact O-N 3.07Å; C157-S159 VanDerWaalsContact O-N 3.15Å; C157-K160 CarbonylContact O-C 3.56Å; C157-K160 WeakPolarHBondContact O-CA 3.36Å; C157-K160 PolarHBondContact O-N 2.88Å; C157-F161 HydrophobicContact CB-CD2 4.41Å; C157-F161 VanDerWaalsContact O-CD2 3.31Å; C157-F161 WeakPolarHBondContact O-CD2 3.37Å; C157-F161 PolarHBondContact O-N 3.48Å
158A98.6Very high97.6Very high43 Ų4329.7 Ų29.736%0.35518%0.179SC..Hα-helixtrans-52.2-42.317800000112.4E154 Y156 K160 A162E154-A158 WeakPolarHBondContact O-CB 3.46Å; E154-A158 PolarHBondContact O-N 3.35Å; Y156-A158 PolarHBondContact O-N 3.12Å; A158-K160 PolarHBondContact O-N 3.12Å; A158-A162 WeakPolarHBondContact O-CB 3.23Å; A158-A162 PolarHBondContact O-N 2.78Å
159S98.6Very high97.9Very high0 Ų033.8 Ų33.80%021%0.208CC..Hα-helixtrans-65.8-3617780.70000113.5N115 M155 Y156 C157 I163N115-S159 PolarHBondContact ND2-OG 2.84Å; M155-S159 WeakPolarHBondContact O-CB 3.25Å; M155-S159 PolarHBondContact O-N 2.92Å; Y156-S159 PolarHBondContact O-N 3.21Å; Y156-S159 VanDerWaalsContact O-N 3.16Å; Y156-S159 PolarHBondContact O-OG 3.43Å; C157-S159 PolarHBondContact O-N 3.07Å; C157-S159 VanDerWaalsContact O-N 3.15Å; S159-I163 PolarHBondContact O-N 2.68Å
160K98.4Very high98.1Very high21 Ų2134 Ų349%0.09120%0.2CC..Hα-helixtrans-77.9-36.6178.4-67.4-64-170.7173.20112T141 G146 Y156 C157 A158 A162 I163 E164T141-K160 PolarHBondContact O-NZ 2.84Å; G146-K160 VanDerWaalsContact CA-C 3.48Å; G146-K160 VanDerWaalsContact CA-CB 3.45Å; Y156-K160 HydrophobicContact CD2-CG 4.45Å; Y156-K160 HydrophobicContact CE1-CG 4.23Å; Y156-K160 HydrophobicContact CE2-CD 4.44Å; Y156-K160 HydrophobicContact CE2-CG 3.94Å; Y156-K160 PolarHBondContact O-N 3.03Å; Y156-K160 VanDerWaalsContact O-N 3.08Å; Y156-K160 WeakPolarHBondContact OH-CE 3.3Å; C157-K160 CarbonylContact O-C 3.56Å; C157-K160 WeakPolarHBondContact O-CA 3.36Å; C157-K160 PolarHBondContact O-N 2.88Å; A158-K160 PolarHBondContact O-N 3.12Å; K160-A162 VanDerWaalsContact C-N 3.3Å; K160-A162 PolarHBondContact O-N 3.02Å; K160-I163 WeakPolarHBondContact O-CG2 3.11Å; K160-I163 PolarHBondContact O-N 2.97Å; K160-E164 PolarHBondContact O-N 3.24Å; K160-E164 VanDerWaalsContact O-N 3.15Å
161F98.7Very high98.2Very high74 Ų7433 Ų3333%0.32520%0.198SC..Hα-helixtrans-62.9-39.2169.2-87.6-92.3000111.9G145 G146 L147 H148 C157 I163 E164 G165G145-F161 VanDerWaalsContact O-CD2 3.27Å; G145-F161 WeakPolarHBondContact O-CD2 3.32Å; G145-F161 WeakPolarHBondContact O-CE2 3.5Å; G146-F161 WeakPolarHBondContact O-CD1 3.22Å; G146-F161 WeakPolarHBondContact O-CD2 3.31Å; G146-F161 VanDerWaalsContact O-CE1 3.23Å; G146-F161 WeakPolarHBondContact O-CE1 3.26Å; G146-F161 VanDerWaalsContact O-CG 3.25Å; G146-F161 WeakPolarHBondContact O-CG 3.28Å; G146-F161 WeakPolarHBondContact O-CZ 3.41Å; L147-F161 VanDerWaalsContact O-CZ 3.3Å; L147-F161 WeakPolarHBondContact O-CZ 3.27Å; H148-F161 VanDerWaalsContact N-CZ 3.3Å; H148-F161 WeakPolarHBondContact O-CE2 3.44Å; C157-F161 HydrophobicContact CB-CD2 4.41Å; C157-F161 VanDerWaalsContact O-CD2 3.31Å; C157-F161 WeakPolarHBondContact O-CD2 3.37Å; C157-F161 PolarHBondContact O-N 3.48Å; F161-I163 VanDerWaalsContact C-N 3.28Å; F161-I163 PolarHBondContact O-N 3Å; F161-E164 WeakPolarHBondContact O-CB 3.28Å; F161-E164 PolarHBondContact O-N 3.48Å; F161-G165 PolarHBondContact O-N 2.8Å
162A98.8Very high98.3Very high34 Ų3436 Ų3628%0.28122%0.216SC..Hα-helixtrans-63.6-36.717800000111.8L116 A158 K160 A166L116-A162 HydrophobicContact CD1-CB 3.78Å; L116-A162 HydrophobicContact CD2-CB 3.69Å; L116-A162 HydrophobicContact CG-CB 4.23Å; A158-A162 WeakPolarHBondContact O-CB 3.23Å; A158-A162 PolarHBondContact O-N 2.78Å; K160-A162 VanDerWaalsContact C-N 3.3Å; K160-A162 PolarHBondContact O-N 3.02Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 3.16Å
163I98.3Very high98.4Very high3 Ų339.2 Ų39.22%0.01523%0.234CC..Hα-helixtrans-72.2-34.4177.4-148.965.1000112.7L116 T119 I120 V140 S159 K160 F161 A166 C167 L183L116-I163 HydrophobicContact CD1-CD1 3.95Å; T119-I163 HydrophobicContact CG2-CD1 3.5Å; T119-I163 HydrophobicContact CG2-CG1 4.06Å; I120-I163 HydrophobicContact CD1-CD1 4.22Å; I120-I163 HydrophobicContact CG1-CD1 4.38Å; V140-I163 HydrophobicContact CG1-CG1 3.99Å; S159-I163 PolarHBondContact O-N 2.68Å; K160-I163 WeakPolarHBondContact O-CG2 3.11Å; K160-I163 PolarHBondContact O-N 2.97Å; F161-I163 VanDerWaalsContact C-N 3.28Å; F161-I163 PolarHBondContact O-N 3Å; I163-A166 PolarHBondContact O-N 3.29Å; I163-C167 VanDerWaalsContact O-CB 3.22Å; I163-C167 WeakPolarHBondContact O-CB 3.28Å; I163-C167 PolarHBondContact O-N 3.47Å; I163-C167 PolarHBondContact O-SG 2.84Å; I163-C167 VanDerWaalsContact O-SG 3.35Å; I163-L183 HydrophobicContact CG2-CD2 4.34Å
164E98.6Very high98.4Very high11 Ų1138.5 Ų38.55%0.05123%0.23CC..Hα-helixtrans-52.6-57.9169.3-70.7-59.9125.200110.7G146 L147 K160 F161 A166 C167 E168 L183 R255G146-E164 WeakPolarHBondContact O-CG 3.31Å; L147-E164 HydrophobicContact CD2-CG 4.17Å; K160-E164 PolarHBondContact O-N 3.24Å; K160-E164 VanDerWaalsContact O-N 3.15Å; F161-E164 WeakPolarHBondContact O-CB 3.28Å; F161-E164 PolarHBondContact O-N 3.48Å; E164-A166 VanDerWaalsContact C-N 3.34Å; E164-A166 PolarHBondContact O-N 3.34Å; E164-C167 PolarHBondContact O-N 3.31Å; E164-E168 VanDerWaalsContact O-CB 3.28Å; E164-E168 WeakPolarHBondContact O-CB 3.41Å; E164-E168 PolarHBondContact O-N 3.22Å; E164-L183 WeakPolarHBondContact OE1-CD1 3.49Å; E164-L183 WeakPolarHBondContact OE2-CD1 3.36Å; E164-R255 IonicContact OE2-CZ 2.79Å; E164-R255 IonicContact OE2-NE 3.43Å; E164-R255 PolarHBondContact OE2-NE 3.13Å; E164-R255 IonicContact OE2-NH2 2.87Å; E164-R255 PolarHBondContact OE2-NH2 3.35Å
165G98.7Very high98.3Very high38 Ų3840.8 Ų40.839%0.39224%0.24SC..Hα-helixtrans-62.9-39.6-175.900000112.6F161 S169F161-G165 PolarHBondContact O-N 2.8Å; G165-S169 VanDerWaalsContact O-CB 3.27Å; G165-S169 WeakPolarHBondContact O-CB 3.21Å; G165-S169 PolarHBondContact O-N 2.8Å; G165-S169 PolarHBondContact O-OG 3.17Å
166A98.6Very high98.3Very high27 Ų2746 Ų4622%0.22326%0.264CS..Hα-helixtrans-68.6-43.5178.300000112.4I120 A162 I163 E164 L170I120-A166 HydrophobicContact CD1-CB 3.71Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 3.16Å; I163-A166 PolarHBondContact O-N 3.29Å; E164-A166 VanDerWaalsContact C-N 3.34Å; E164-A166 PolarHBondContact O-N 3.34Å; A166-L170 WeakPolarHBondContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CG 2.91Å; A166-L170 PolarHBondContact O-N 2.99Å
167C98.8Very high98.3Very high0 Ų048.4 Ų48.40%028%0.275CS..Hα-helixtrans-68.7-40.3177.6-74.30000112.1I163 E164 L170 A171 V181 L183 F254I163-C167 VanDerWaalsContact O-CB 3.22Å; I163-C167 WeakPolarHBondContact O-CB 3.28Å; I163-C167 PolarHBondContact O-N 3.47Å; I163-C167 PolarHBondContact O-SG 2.84Å; I163-C167 VanDerWaalsContact O-SG 3.35Å; E164-C167 PolarHBondContact O-N 3.31Å; C167-L170 PolarHBondContact O-N 3.12Å; C167-A171 WeakPolarHBondContact O-CB 3.38Å; C167-A171 PolarHBondContact O-N 3.19Å; C167-V181 HydrophobicContact CB-CG1 4.04Å; C167-L183 HydrophobicContact CB-CD1 4.06Å; C167-L183 HydrophobicContact CB-CG 4.36Å; C167-F254 HydrophobicContact CB-CE2 4.21Å; C167-F254 HydrophobicContact CB-CZ 4.22Å
168E98.7Very high98.3Very high86 Ų8652.1 Ų52.140%0.40230%0.295SS..Hα-helixtrans-63.8-44.3177.4-166.2170.598.100110.4E164 L170 A171 V172 F254 R255E164-E168 VanDerWaalsContact O-CB 3.28Å; E164-E168 WeakPolarHBondContact O-CB 3.41Å; E164-E168 PolarHBondContact O-N 3.22Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 3.13Å; E168-A171 PolarHBondContact O-N 2.93Å; E168-V172 WeakPolarHBondContact O-CG2 3.29Å; E168-V172 PolarHBondContact O-N 3.37Å; E168-F254 HydrophobicContact CB-CE1 3.8Å; E168-F254 HydrophobicContact CB-CE2 4.43Å; E168-F254 HydrophobicContact CB-CZ 3.54Å; E168-F254 HydrophobicContact CG-CE1 3.85Å; E168-F254 HydrophobicContact CG-CZ 4.04Å; E168-R255 IonicContact OE2-CZ 3.02Å; E168-R255 IonicContact OE2-NH1 2.92Å; E168-R255 PolarHBondContact OE2-NH1 3.45Å; E168-R255 VanDerWaalsContact OE2-NH1 3.15Å; E168-R255 IonicContact OE2-NH2 3.73Å; E168-R255 PolarHBondContact OE2-NH2 3.18Å
169S98.6Very high98.3Very high88 Ų8850.2 Ų50.262%0.61528%0.278SS*.Hα-helixtrans-59.4-41.8173.9-60.70000112.4G165G165-S169 VanDerWaalsContact O-CB 3.27Å; G165-S169 WeakPolarHBondContact O-CB 3.21Å; G165-S169 PolarHBondContact O-N 2.8Å; G165-S169 PolarHBondContact O-OG 3.17Å
170L98.1Very high98.3Very high40 Ų4052.4 Ų52.421%0.20929%0.288CS..Hα-helixtrans-67.8-43.4176.5-76.9171.9000112I120 I123 A166 C167 E168 V172 L173 L174I120-L170 HydrophobicContact CD1-CD1 4.47Å; I123-L170 HydrophobicContact CD1-CD1 4.37Å; I123-L170 HydrophobicContact CG2-CD1 4.24Å; A166-L170 WeakPolarHBondContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CG 2.91Å; A166-L170 PolarHBondContact O-N 2.99Å; C167-L170 PolarHBondContact O-N 3.12Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 3.13Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 2.99Å; L170-L173 PolarHBondContact O-N 3.3Å; L170-L174 HydrophobicContact CB-CD1 4.35Å; L170-L174 WeakPolarHBondContact O-CB 3.35Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.16Å; L170-L174 PolarHBondContact O-N 3Å
171A98.4Very high98.3Very high21 Ų2151.8 Ų51.817%0.17429%0.287CS..Hα-helixtrans-56.9-43.2-177.500000111.9C167 E168 L173 L174 Q175 V181 F254C167-A171 WeakPolarHBondContact O-CB 3.38Å; C167-A171 PolarHBondContact O-N 3.19Å; E168-A171 PolarHBondContact O-N 2.93Å; A171-L173 PolarHBondContact O-N 3.32Å; A171-L174 PolarHBondContact O-N 3.41Å; A171-Q175 PolarHBondContact O-N 2.94Å; A171-Q175 VanDerWaalsContact O-N 3.17Å; A171-V181 HydrophobicContact CB-CB 3.99Å; A171-V181 HydrophobicContact CB-CG2 4.33Å; A171-F254 HydrophobicContact CB-CD2 3.81Å; A171-F254 HydrophobicContact CB-CE2 3.84Å
172V98.4Very high98.3Very high93 Ų9348.4 Ų48.456%0.56427%0.272SS*.Hα-helixtrans-56.9-37.6177173.60000111.9E168 L170 Q175E168-V172 WeakPolarHBondContact O-CG2 3.29Å; E168-V172 PolarHBondContact O-N 3.37Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 2.99Å; V172-Q175 WeakPolarHBondContact O-CG 3.39Å; V172-Q175 PolarHBondContact O-NE2 3.08Å
173L98.1Very high98.3Very high86 Ų8646.8 Ų46.845%0.4526%0.259SS..Hα-helixtrans-80.1-45.1176.717563.1000112.2L170 A171 Q175 H176 F177L170-L173 PolarHBondContact O-N 3.3Å; A171-L173 PolarHBondContact O-N 3.32Å; L173-Q175 VanDerWaalsContact C-N 3.32Å; L173-Q175 PolarHBondContact O-N 2.86Å; L173-H176 PolarHBondContact O-CD2 3.16Å; L173-H176 PolarHBondContact O-N 3.49Å; L173-F177 HydrophobicContact CD1-CE2 4.14Å; L173-F177 HydrophobicContact CG-CE2 4.32Å
174L98.4Very high98.3Very high0 Ų046.7 Ų46.70%026%0.258CS..Hα-helixtrans-74.4-19.2-166.7-68.6-169.7000114.1L127 I138 L170 A171 H176 F177 N178 I179 V181L127-L174 HydrophobicContact CD1-CD1 3.7Å; L127-L174 HydrophobicContact CD1-CD2 3.75Å; L127-L174 HydrophobicContact CD1-CG 4.41Å; L127-L174 HydrophobicContact CD2-CD2 4.36Å; I138-L174 HydrophobicContact CD1-CD1 3.99Å; L170-L174 HydrophobicContact CB-CD1 4.35Å; L170-L174 WeakPolarHBondContact O-CB 3.35Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.16Å; L170-L174 PolarHBondContact O-N 3Å; A171-L174 PolarHBondContact O-N 3.41Å; L174-H176 PolarHBondContact O-N 3.38Å; L174-F177 HydrophobicContact CD2-CD2 4.29Å; L174-F177 WeakPolarHBondContact O-CA 3.38Å; L174-F177 WeakPolarHBondContact O-CB 3.22Å; L174-F177 PolarHBondContact O-N 3.26Å; L174-N178 PolarHBondContact O-N 2.87Å; L174-I179 CarbonylContact C-O 3.39Å; L174-I179 HydrophobicContact CB-CB 4.14Å; L174-I179 HydrophobicContact CB-CG2 4.37Å; L174-I179 HydrophobicContact CD1-CG2 4.07Å; L174-I179 PolarHBondContact O-N 3.39Å; L174-V181 HydrophobicContact CB-CG2 4.49Å; L174-V181 HydrophobicContact CD1-CG2 3.9Å
175Q95.9Very high98.2Very high122 Ų12246.1 Ų46.157%0.5726%0.256SS*.G310 helixtrans-55.1-32.8169.466.2-176.5-47.900112.9A171 V172 L173 F177 N178A171-Q175 PolarHBondContact O-N 2.94Å; A171-Q175 VanDerWaalsContact O-N 3.17Å; V172-Q175 WeakPolarHBondContact O-CG 3.39Å; V172-Q175 PolarHBondContact O-NE2 3.08Å; L173-Q175 VanDerWaalsContact C-N 3.32Å; L173-Q175 PolarHBondContact O-N 2.86Å; Q175-F177 PolarHBondContact O-N 2.91Å; Q175-N178 PolarHBondContact O-N 3.1Å; Q175-N178 VanDerWaalsContact O-N 3.16Å
176H97.3Very high98.1Very high148 Ų14844.7 Ų44.769%0.68524%0.239SC*.G310 helixtrans-71.5-9.6176.7-63.5-68.9000113.9L173 L174L173-H176 PolarHBondContact O-CD2 3.16Å; L173-H176 PolarHBondContact O-N 3.49Å; L174-H176 PolarHBondContact O-N 3.38Å
177F98.3Very high97.7Very high76 Ų7643.9 Ų43.933%0.33323%0.234SC..G310 helixtrans-108.97.2176.3-63-93.6000112K131 G134 L173 L174 Q175 I179K131-F177 HydrophobicContact CB-CD1 4.03Å; K131-F177 HydrophobicContact CB-CE1 4.47Å; K131-F177 HydrophobicContact CD-CD1 3.97Å; K131-F177 HydrophobicContact CD-CE1 3.91Å; K131-F177 HydrophobicContact CD-CG 4.36Å; K131-F177 HydrophobicContact CD-CZ 4.26Å; K131-F177 HydrophobicContact CG-CB 4.36Å; K131-F177 HydrophobicContact CG-CD1 3.7Å; K131-F177 HydrophobicContact CG-CE1 4.15Å; K131-F177 HydrophobicContact CG-CG 4Å; G134-F177 CarbonylContact C-O 3.25Å; G134-F177 VanDerWaalsContact C-O 3.25Å; L173-F177 HydrophobicContact CD1-CE2 4.14Å; L173-F177 HydrophobicContact CG-CE2 4.32Å; L174-F177 HydrophobicContact CD2-CD2 4.29Å; L174-F177 WeakPolarHBondContact O-CA 3.38Å; L174-F177 WeakPolarHBondContact O-CB 3.22Å; L174-F177 PolarHBondContact O-N 3.26Å; Q175-F177 PolarHBondContact O-N 2.91Å; F177-I179 HydrophobicContact CB-CD1 3.82Å; F177-I179 HydrophobicContact CB-CG1 4.12Å; F177-I179 PolarHBondContact O-N 2.81Å
178N97.8Very high97.2Very high84 Ų8445 Ų4545%0.44924%0.241SC..THydrogen-bonded Turntrans54.534.7-172179.347000112.3G134 Q135 G136 L174 Q175 Q180G134-N178 WeakPolarHBondContact O-CB 3.46Å; G134-N178 PolarHBondContact O-ND2 2.99Å; G134-N178 VanDerWaalsContact O-ND2 3.09Å; Q135-N178 WeakPolarHBondContact CA-O 3.38Å; G136-N178 PolarHBondContact N-O 3.25Å; L174-N178 PolarHBondContact O-N 2.87Å; Q175-N178 PolarHBondContact O-N 3.1Å; Q175-N178 VanDerWaalsContact O-N 3.16Å; N178-Q180 PolarHBondContact O-NE2 3.45Å; N178-Q180 VanDerWaalsContact O-NE2 3.16Å; N178-Q180 PolarHBondContact OD1-NE2 3.15Å
179I98.6Very high96.8Very high2 Ų241.5 Ų41.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-107.9119.7173.1-62.1163.8000107.8L127 M130 K131 G136 I138 L174 F177L127-I179 HydrophobicContact CD1-CD1 4.15Å; M130-I179 HydrophobicContact CB-CD1 3.65Å; M130-I179 HydrophobicContact CB-CG1 4.17Å; K131-I179 HydrophobicContact CB-CD1 4.43Å; K131-I179 HydrophobicContact CG-CD1 3.71Å; G136-I179 CarbonylContact O-C 3.54Å; G136-I179 VanDerWaalsContact O-CA 3.29Å; G136-I179 WeakPolarHBondContact O-CA 3.45Å; I138-I179 HydrophobicContact CD1-CG2 4.02Å; I138-I179 HydrophobicContact CG1-CG2 4.27Å; L174-I179 CarbonylContact C-O 3.39Å; L174-I179 HydrophobicContact CB-CB 4.14Å; L174-I179 HydrophobicContact CB-CG2 4.37Å; L174-I179 HydrophobicContact CD1-CG2 4.07Å; L174-I179 PolarHBondContact O-N 3.39Å; F177-I179 HydrophobicContact CB-CD1 3.82Å; F177-I179 HydrophobicContact CB-CG1 4.12Å; F177-I179 PolarHBondContact O-N 2.81Å
180Q98.6Very high96.3Very high46 Ų4641.1 Ų41.122%0.21522%0.217CC..EExtended strand (participates in β ladder)trans-93.8136.3-179.9-6381.54200110.8G136 R137 I138 N178 P252G136-Q180 PolarHBondContact O-N 3.06Å; G136-Q180 PolarHBondContact O-OE1 3.33Å; R137-Q180 CarbonylContact C-O 3.52Å; R137-Q180 WeakPolarHBondContact CA-O 3.26Å; I138-Q180 PolarHBondContact N-O 3.46Å; N178-Q180 PolarHBondContact O-NE2 3.45Å; N178-Q180 VanDerWaalsContact O-NE2 3.16Å; N178-Q180 PolarHBondContact OD1-NE2 3.15Å; Q180-P252 HydrophobicContact CB-CG 3.53Å; Q180-P252 HydrophobicContact CG-CG 3.56Å
181V98.8Very high95.8Very high9 Ų940.3 Ų40.36%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-112.6129.9172.8-175.10000107.5I138 C167 A171 L174 F254I138-V181 HydrophobicContact CB-CG2 4.35Å; I138-V181 HydrophobicContact CD1-CG2 4.4Å; I138-V181 CarbonylContact O-C 3.56Å; I138-V181 VanDerWaalsContact O-CA 3.32Å; I138-V181 WeakPolarHBondContact O-CA 3.49Å; C167-V181 HydrophobicContact CB-CG1 4.04Å; A171-V181 HydrophobicContact CB-CB 3.99Å; A171-V181 HydrophobicContact CB-CG2 4.33Å; L174-V181 HydrophobicContact CB-CG2 4.49Å; L174-V181 HydrophobicContact CD1-CG2 3.9Å; V181-F254 HydrophobicContact CG1-CE2 4.25Å; V181-F254 WeakPolarHBondContact O-CD2 3.24Å
182S98.8Very high95.1Very high3 Ų341.4 Ų41.42%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-136.7134.4179.3-62.20000110.5I138 L139 V140 A253 F254I138-S182 PolarHBondContact O-N 3.1Å; L139-S182 CarbonylContact C-O 3.55Å; L139-S182 WeakPolarHBondContact CA-O 3.34Å; V140-S182 PolarHBondContact N-O 3.27Å; S182-A253 WeakPolarHBondContact CB-O 3.47Å; S182-A253 PolarHBondContact OG-O 3.43Å; S182-F254 CarbonylContact C-O 3.57Å; S182-F254 VanDerWaalsContact CA-O 3.32Å; S182-F254 WeakPolarHBondContact CA-O 3.41Å
183L98.7Very high94.3Very high0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-98.4130.4170.8-75.2151.2000109.6V140 I163 E164 C167 E185 F254 R255 Y256V140-L183 HydrophobicContact CB-CD2 3.75Å; V140-L183 HydrophobicContact CG1-CD2 3.85Å; V140-L183 WeakPolarHBondContact O-CA 3.29Å; I163-L183 HydrophobicContact CG2-CD2 4.34Å; E164-L183 WeakPolarHBondContact OE1-CD1 3.49Å; E164-L183 WeakPolarHBondContact OE2-CD1 3.36Å; C167-L183 HydrophobicContact CB-CD1 4.06Å; C167-L183 HydrophobicContact CB-CG 4.36Å; L183-E185 VanDerWaalsContact CB-OE1 3.3Å; L183-E185 WeakPolarHBondContact CB-OE1 3.46Å; L183-F254 HydrophobicContact CD1-CE1 3.9Å; L183-F254 HydrophobicContact CD1-CE2 4.03Å; L183-F254 HydrophobicContact CD1-CZ 3.42Å; L183-F254 VanDerWaalsContact CD1-CZ 3.42Å; L183-F254 HydrophobicContact CG-CZ 4.48Å; L183-F254 PolarHBondContact N-O 3.12Å; L183-R255 WeakPolarHBondContact O-CA 3.36Å; L183-Y256 PolarHBondContact O-N 3.47Å
184I98.4Very high93.5Very high0 Ų039.5 Ų39.50%020%0.201CC..EExtended strand (participates in β ladder)trans-98.8101.1172.6-49.4-52.6000107.7L139 V140 G142 C186 V242 F243 A246 Y256 T258L139-I184 HydrophobicContact CD2-CD1 4.04Å; L139-I184 HydrophobicContact CD2-CG1 4.44Å; V140-I184 PolarHBondContact O-N 3.13Å; G142-I184 CarbonylContact C-O 3.58Å; G142-I184 VanDerWaalsContact CA-O 3.25Å; G142-I184 WeakPolarHBondContact CA-O 3.42Å; G142-I184 PolarHBondContact N-O 3.37Å; I184-C186 PolarHBondContact O-N 2.86Å; I184-C186 VanDerWaalsContact O-N 3.09Å; I184-V242 HydrophobicContact CD1-CG1 4.47Å; I184-V242 HydrophobicContact CG2-CB 4.36Å; I184-V242 HydrophobicContact CG2-CG1 3.89Å; I184-F243 HydrophobicContact CB-CD2 4.45Å; I184-F243 HydrophobicContact CB-CE1 4.21Å; I184-F243 HydrophobicContact CB-CE2 3.88Å; I184-F243 HydrophobicContact CB-CZ 3.74Å; I184-F243 HydrophobicContact CG1-CD1 3.75Å; I184-F243 HydrophobicContact CG1-CD2 4.16Å; I184-F243 HydrophobicContact CG1-CE1 3.47Å; I184-F243 VanDerWaalsContact CG1-CE1 3.47Å; I184-F243 HydrophobicContact CG1-CE2 3.9Å; I184-F243 HydrophobicContact CG1-CG 4.07Å; I184-F243 HydrophobicContact CG1-CZ 3.54Å; I184-F243 HydrophobicContact CG2-CD2 4.06Å; I184-F243 HydrophobicContact CG2-CE2 3.73Å; I184-F243 HydrophobicContact CG2-CZ 4.14Å; I184-A246 HydrophobicContact CD1-CB 3.91Å; I184-Y256 CarbonylContact C-O 3.54Å; I184-Y256 HydrophobicContact CD1-CD2 4.07Å; I184-Y256 HydrophobicContact CD1-CG 4.05Å; I184-T258 HydrophobicContact CG2-CG2 3.8Å
185E97.3Very high92.6Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-80.490.1-173.2-50.5-60.5179.500110.9S143 L147 L183 R255 Y256 F257 T258S143-E185 PolarHBondContact N-OE2 3.17Å; L147-E185 HydrophobicContact CD1-CG 4.25Å; L183-E185 VanDerWaalsContact CB-OE1 3.3Å; L183-E185 WeakPolarHBondContact CB-OE1 3.46Å; E185-R255 HydrophobicContact CG-CB 4.37Å; E185-R255 IonicContact OE1-NE 2.81Å; E185-Y256 PolarHBondContact N-O 3Å; E185-F257 HydrophobicContact CB-CD1 3.78Å; E185-F257 HydrophobicContact CB-CE1 4.08Å; E185-F257 HydrophobicContact CB-CG 4.37Å; E185-F257 HydrophobicContact CG-CD1 4.1Å; E185-F257 HydrophobicContact CG-CE1 3.98Å; E185-F257 HydrophobicContact CG-CZ 4.35Å; E185-T258 PolarHBondContact O-N 2.89Å; E185-T258 VanDerWaalsContact O-N 3.13Å; E185-T258 PolarHBondContact O-OG1 3.03Å
186C94.8Very high92Very high7 Ų744.6 Ų44.65%0.04723%0.231CC..  trans-79.4133.5-179.6-60.20000111.9S143 T144 I184 V189 T258S143-C186 WeakPolarHBondContact CA-O 3.11Å; T144-C186 PolarHBondContact N-O 3.46Å; I184-C186 PolarHBondContact O-N 2.86Å; I184-C186 VanDerWaalsContact O-N 3.09Å; C186-V189 HydrophobicContact CB-CG2 4.18Å; C186-T258 WeakPolarHBondContact CA-OG1 3.41Å
187G90.6Very high91.5Very high11 Ų1138.8 Ų38.811%0.11320%0.204CC..  trans-75.3-157.2159.400000112.7T258G187-T258 PolarHBondContact N-OG1 3.31Å
188P89.1Confident91Very high23 Ų2339.7 Ų39.715%0.14921%0.21CC..SBendtrans-62.2135.8168.525.4-31.7000110.5V228 F229 A232 A233 Q234P188-V228 HydrophobicContact CG-CG1 4.04Å; P188-F229 HydrophobicContact CB-CD1 3.63Å; P188-F229 HydrophobicContact CB-CE1 3.36Å; P188-F229 HydrophobicContact CB-CE2 4.29Å; P188-F229 HydrophobicContact CB-CG 4.21Å; P188-F229 HydrophobicContact CB-CZ 3.71Å; P188-A232 HydrophobicContact CG-CB 4.38Å; P188-A233 HydrophobicContact CB-CB 4.29Å; P188-A233 WeakPolarHBondContact O-CA 3.39Å; P188-Q234 PolarHBondContact O-N 3.13Å
189V90.8Very high90.4Very high13 Ų1339.9 Ų39.98%0.07921%0.206CC..BIsolated β-bridgetrans-130.7132.7-178.1-175.10000110I17 C186 S191 Q234 T236 I239I17-V189 HydrophobicContact CD1-CG2 4.43Å; I17-V189 HydrophobicContact CG1-CG1 4.36Å; C186-V189 HydrophobicContact CB-CG2 4.18Å; V189-S191 VanDerWaalsContact C-N 3.31Å; V189-S191 PolarHBondContact O-N 3.37Å; V189-S191 PolarHBondContact O-OG 2.99Å; V189-Q234 CarbonylContact C-O 3.51Å; V189-Q234 WeakPolarHBondContact CA-O 3.12Å; V189-T236 HydrophobicContact CG1-CG2 4.02Å; V189-I239 HydrophobicContact CG1-CG1 3.94Å; V189-I239 HydrophobicContact CG2-CD1 3.82Å; V189-I239 HydrophobicContact CG2-CG1 3.85Å
190N88.3Confident89.8Confident80 Ų8040.2 Ų40.243%0.42821%0.209SC..SBendtrans-66.287.3172.5-70.3-33.5000110A233 Q234 D235N190-A233 WeakPolarHBondContact OD1-CB 3.21Å; N190-Q234 PolarHBondContact N-O 2.92Å; N190-D235 PolarHBondContact ND2-OD1 3.18Å
191S86.8Confident89.2Confident23 Ų2342.7 Ų42.716%0.16122%0.221CC..SBendtrans-149.6164.4-177.569.90000111.9V189 F193 L194V189-S191 VanDerWaalsContact C-N 3.31Å; V189-S191 PolarHBondContact O-N 3.37Å; V189-S191 PolarHBondContact O-OG 2.99Å; S191-F193 PolarHBondContact O-N 3.45Å; S191-F193 VanDerWaalsContact OG-CB 3.28Å; S191-F193 WeakPolarHBondContact OG-CB 3.24Å; S191-F193 PolarHBondContact OG-N 3.43Å; S191-L194 PolarHBondContact O-N 2.96Å
192D83.6Confident88.6Confident44 Ų4446.1 Ų46.124%0.23524%0.238CC..THydrogen-bonded Turntrans-60.8-6173.3-55.714.2000112.9S15 R47 L194 I195 N196S15-D192 WeakPolarHBondContact CB-OD2 3.48Å; R47-D192 VanDerWaalsContact NH1-CG 3.33Å; R47-D192 IonicContact NH1-OD1 3.05Å; R47-D192 PolarHBondContact NH1-OD1 3.08Å; R47-D192 IonicContact NH1-OD2 2.89Å; R47-D192 PolarHBondContact NH1-OD2 3.18Å; D192-L194 VanDerWaalsContact C-N 3.26Å; D192-L194 PolarHBondContact O-N 2.9Å; D192-I195 HydrophobicContact CB-CD1 4.5Å; D192-I195 PolarHBondContact O-N 3.15Å; D192-I195 VanDerWaalsContact O-N 3.15Å; D192-N196 PolarHBondContact O-N 2.81Å; D192-N196 PolarHBondContact O-ND2 3.32Å
193F82.6Confident87.8Confident72 Ų7249.5 Ų49.532%0.31627%0.274SS..THydrogen-bonded Turntrans-55.3-43.7172.8-178.4-93.9000111.4Y156 S191 I195 N196 L197Y156-F193 HydrophobicContact CD2-CZ 4.47Å; Y156-F193 AromaticContact CE2-CZ 3.82Å; Y156-F193 HydrophobicContact CE2-CZ 3.82Å; S191-F193 PolarHBondContact O-N 3.45Å; S191-F193 VanDerWaalsContact OG-CB 3.28Å; S191-F193 WeakPolarHBondContact OG-CB 3.24Å; S191-F193 PolarHBondContact OG-N 3.43Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.24Å; F193-N196 CarbonylContact O-C 3.57Å; F193-N196 PolarHBondContact O-N 3.27Å; F193-L197 PolarHBondContact O-N 3Å
194L79.3Confident87.2Confident67 Ų6752.6 Ų52.635%0.35129%0.291SS..THydrogen-bonded Turntrans-63.5-36.8176.5-82-177.2000112.9S191 D192 N196 L197 F229S191-L194 PolarHBondContact O-N 2.96Å; D192-L194 VanDerWaalsContact C-N 3.26Å; D192-L194 PolarHBondContact O-N 2.9Å; L194-N196 VanDerWaalsContact C-N 3.31Å; L194-L197 HydrophobicContact CD2-CD2 4.38Å; L194-L197 WeakPolarHBondContact O-CB 3.42Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-F229 HydrophobicContact CD1-CD1 3.46Å; L194-F229 VanDerWaalsContact CD1-CD1 3.46Å; L194-F229 HydrophobicContact CD1-CD2 4.34Å; L194-F229 HydrophobicContact CD1-CE1 3.45Å; L194-F229 VanDerWaalsContact CD1-CE1 3.45Å; L194-F229 HydrophobicContact CD1-CE2 4.36Å; L194-F229 HydrophobicContact CD1-CG 3.92Å; L194-F229 HydrophobicContact CD1-CZ 3.95Å; L194-F229 HydrophobicContact CD2-CD2 4.42Å; L194-F229 HydrophobicContact CD2-CE1 3.91Å; L194-F229 HydrophobicContact CD2-CE2 3.8Å; L194-F229 HydrophobicContact CD2-CZ 3.51Å; L194-F229 HydrophobicContact CG-CD1 4.29Å; L194-F229 HydrophobicContact CG-CE1 3.77Å; L194-F229 HydrophobicContact CG-CZ 3.93Å
195I81.4Confident86.6Confident137 Ų13756.9 Ų56.970%0.70332%0.319SS*.THydrogen-bonded Turntrans-68.4-36.1178.3-58.7174.6000110.3D192 F193D192-I195 HydrophobicContact CB-CD1 4.5Å; D192-I195 PolarHBondContact O-N 3.15Å; D192-I195 VanDerWaalsContact O-N 3.15Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.24Å
196N82.5Confident86.1Confident92 Ų9259 Ų5949%0.49233%0.334SS..THydrogen-bonded Turntrans-92.63.7179.9-62.6-72.7000113.2D192 F193 L194 Q198D192-N196 PolarHBondContact O-N 2.81Å; D192-N196 PolarHBondContact O-ND2 3.32Å; F193-N196 CarbonylContact O-C 3.57Å; F193-N196 PolarHBondContact O-N 3.27Å; L194-N196 VanDerWaalsContact C-N 3.31Å; N196-Q198 PolarHBondContact O-N 3.33Å
197L87Confident85.9Confident25 Ų2559.3 Ų59.313%0.13134%0.335CS..  trans-64.3120.4177.3177.162.1000108.5M97 F193 L194 K199M97-L197 HydrophobicContact CB-CD1 4.28Å; M97-L197 HydrophobicContact CB-CD2 4.1Å; M97-L197 HydrophobicContact CB-CG 4.35Å; M97-L197 HydrophobicContact CE-CD2 3.93Å; M97-L197 HydrophobicContact SD-CD2 4.25Å; F193-L197 PolarHBondContact O-N 3Å; L194-L197 HydrophobicContact CD2-CD2 4.38Å; L194-L197 WeakPolarHBondContact O-CB 3.42Å; L194-L197 PolarHBondContact O-N 3.45Å; L197-K199 HydrophobicContact CG-CB 4.34Å; L197-K199 PolarHBondContact O-N 3.45Å; L197-K199 VanDerWaalsContact O-N 3.1Å
198Q86.4Confident85.8Confident96 Ų9666.6 Ų66.645%0.44937%0.366SS..EExtended strand (participates in β ladder)trans-73.2107.1170.1-175168.64.600107.5G95 L96 M97 T107 N196G95-Q198 PolarHBondContact O-N 2.72Å; L96-Q198 CarbonylContact C-O 3.48Å; L96-Q198 VanDerWaalsContact CA-O 3.31Å; L96-Q198 WeakPolarHBondContact CA-O 3.27Å; L96-Q198 HydrophobicContact CD1-CB 3.91Å; L96-Q198 HydrophobicContact CD1-CG 3.79Å; L96-Q198 WeakPolarHBondContact CD1-O 3.2Å; M97-Q198 PolarHBondContact N-O 2.69Å; T107-Q198 VanDerWaalsContact CG2-CD 3.48Å; T107-Q198 PolarHBondContact OG1-NE2 2.91Å; N196-Q198 PolarHBondContact O-N 3.33Å
199K86.6Confident85.7Confident87 Ų8774.4 Ų74.438%0.37840%0.4SS..EExtended strand (participates in β ladder)trans-123.7144.2179.167.4178.8-170.1159.80111.3M97 L197 E201M97-K199 HydrophobicContact CB-CB 4.15Å; M97-K199 HydrophobicContact CE-CB 3.7Å; M97-K199 HydrophobicContact CE-CD 3.92Å; M97-K199 HydrophobicContact CE-CG 4.43Å; M97-K199 CarbonylContact O-C 3.58Å; M97-K199 WeakPolarHBondContact O-CA 3.35Å; L197-K199 HydrophobicContact CG-CB 4.34Å; L197-K199 PolarHBondContact O-N 3.45Å; L197-K199 VanDerWaalsContact O-N 3.1Å; K199-E201 WeakPolarHBondContact CE-OE1 3.33Å; K199-E201 WeakPolarHBondContact CE-OE2 3.38Å; K199-E201 IonicContact NZ-OE1 3.2Å; K199-E201 PolarHBondContact NZ-OE1 2.92Å; K199-E201 IonicContact NZ-OE2 3.11Å; K199-E201 PolarHBondContact NZ-OE2 3.04Å; K199-E201 VanDerWaalsContact NZ-OE2 3.11Å; K199-E201 PolarHBondContact O-N 3.03Å
200A84.6Confident85.9Confident9 Ų974.4 Ų74.47%0.07440%0.4CS..PPolyproline II helixtrans-71.5116.5167.600000108.6M97 L207 Y218M97-A200 PolarHBondContact O-N 2.9Å; A200-L207 HydrophobicContact CB-CD2 4.03Å; A200-L207 HydrophobicContact CB-CG 4.46Å; A200-Y218 HydrophobicContact CB-CE1 4.41Å; A200-Y218 VanDerWaalsContact O-CE1 3.29Å; A200-Y218 WeakPolarHBondContact O-CE1 2.87Å; A200-Y218 PolarHBondContact O-OH 3.45Å
201E87.8Confident86.3Confident99 Ų9974.5 Ų74.546%0.46340%0.401SS..PPolyproline II helixtrans-77.9141.7177.3-64.7-71.8-173.400110.2K199 G203 D204 L207K199-E201 WeakPolarHBondContact CE-OE1 3.33Å; K199-E201 WeakPolarHBondContact CE-OE2 3.38Å; K199-E201 IonicContact NZ-OE1 3.2Å; K199-E201 PolarHBondContact NZ-OE1 2.92Å; K199-E201 IonicContact NZ-OE2 3.11Å; K199-E201 PolarHBondContact NZ-OE2 3.04Å; K199-E201 VanDerWaalsContact NZ-OE2 3.11Å; K199-E201 PolarHBondContact O-N 3.03Å; E201-G203 PolarHBondContact O-N 2.93Å; E201-D204 WeakPolarHBondContact O-CB 3.32Å; E201-D204 PolarHBondContact O-N 3.16Å; E201-L207 WeakPolarHBondContact O-CD1 3.46Å
202L85.1Confident86.8Confident80 Ų8076.3 Ų76.342%0.41942%0.423SS..THydrogen-bonded Turntrans-60.1129.2172.8-66.5170.6000109.4Y218 E219 L222L202-Y218 HydrophobicContact CD2-CD1 3.98Å; L202-Y218 HydrophobicContact CD2-CE1 4.33Å; L202-E219 HydrophobicContact CD1-CG 3.75Å; L202-E219 HydrophobicContact CD2-CG 3.65Å; L202-E219 HydrophobicContact CG-CG 4.37Å; L202-L222 HydrophobicContact CD1-CD1 3.91Å; L202-L222 HydrophobicContact CD2-CD1 4.31Å; L202-L222 HydrophobicContact CG-CD1 3.9Å
203G82.3Confident87.4Confident75 Ų7583.6 Ų83.677%0.77345%0.447SS*.THydrogen-bonded Turntrans88.8-1.2-174.400000115.2E201E201-G203 PolarHBondContact O-N 2.93Å
204D85.8Confident88.1Confident64 Ų6481.6 Ų81.634%0.34244%0.441SS..  trans-59.5135.6169.9-171.4-58.6000110.4E201 S206 L207E201-D204 WeakPolarHBondContact O-CB 3.32Å; E201-D204 PolarHBondContact O-N 3.16Å; D204-S206 PolarHBondContact O-N 3.22Å; D204-S206 VanDerWaalsContact O-N 3.1Å; D204-S206 VanDerWaalsContact OD1-CB 3.24Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-N 3.23Å; D204-S206 PolarHBondContact OD1-OG 3.34Å; D204-L207 HydrophobicContact CB-CG 4.43Å; D204-L207 WeakPolarHBondContact O-CB 3.4Å; D204-L207 PolarHBondContact O-N 3.31Å
205P87Confident88.9Confident91 Ų9180 Ų8059%0.59143%0.432SS*.G310 helixtrans-53.1-30.3177-27.535.2000114.4L207 Q208P205-L207 PolarHBondContact O-N 3.42Å; P205-Q208 WeakPolarHBondContact O-CB 3.47Å; P205-Q208 WeakPolarHBondContact O-CG 3.41Å; P205-Q208 PolarHBondContact O-N 3.29Å; P205-Q208 VanDerWaalsContact O-N 3.15Å
206S85.8Confident89.6Confident45 Ų4576.2 Ų76.232%0.31542%0.418SS..G310 helixtrans-60.3-29.1175.660.10000112.9V102 D204 Q208V102-S206 WeakPolarHBondContact CG1-O 3.49Å; D204-S206 PolarHBondContact O-N 3.22Å; D204-S206 VanDerWaalsContact O-N 3.1Å; D204-S206 VanDerWaalsContact OD1-CB 3.24Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-N 3.23Å; D204-S206 PolarHBondContact OD1-OG 3.34Å; S206-Q208 VanDerWaalsContact C-N 3.3Å; S206-Q208 PolarHBondContact O-N 3.25Å
207L90Very high90.3Very high13 Ų1374.5 Ų74.57%0.06841%0.409CS..G310 helixtrans-78.6-9.9178.6-64.4-175.1000113.8P99 V102 A200 E201 D204 P205 Q209 V210 I215P99-L207 HydrophobicContact CG-CD2 3.94Å; V102-L207 HydrophobicContact CG1-CD2 4.36Å; V102-L207 HydrophobicContact CG2-CD2 3.99Å; A200-L207 HydrophobicContact CB-CD2 4.03Å; A200-L207 HydrophobicContact CB-CG 4.46Å; E201-L207 WeakPolarHBondContact O-CD1 3.46Å; D204-L207 HydrophobicContact CB-CG 4.43Å; D204-L207 WeakPolarHBondContact O-CB 3.4Å; D204-L207 PolarHBondContact O-N 3.31Å; P205-L207 PolarHBondContact O-N 3.42Å; L207-Q209 PolarHBondContact O-N 3.41Å; L207-Q209 VanDerWaalsContact O-N 3.14Å; L207-V210 HydrophobicContact CD2-CG2 4.05Å; L207-V210 WeakPolarHBondContact O-CB 3.29Å; L207-V210 PolarHBondContact O-N 2.9Å; L207-I215 HydrophobicContact CB-CD1 4.02Å; L207-I215 HydrophobicContact CD1-CD1 4.2Å; L207-I215 HydrophobicContact CD2-CD1 4.2Å; L207-I215 HydrophobicContact CG-CD1 4.38Å
208Q89.1Confident90.7Very high164 Ų16473.3 Ų73.377%0.76640%0.403SS*.G310 helixtrans-62.4-22.5179.5-68.5-180-2.600113.4P205 S206P205-Q208 WeakPolarHBondContact O-CB 3.47Å; P205-Q208 WeakPolarHBondContact O-CG 3.41Å; P205-Q208 PolarHBondContact O-N 3.29Å; P205-Q208 VanDerWaalsContact O-N 3.15Å; S206-Q208 VanDerWaalsContact C-N 3.3Å; S206-Q208 PolarHBondContact O-N 3.25Å
209Q87.8Confident91.1Very high186 Ų18672.6 Ų72.687%0.86940%0.399SS*.G310 helixtrans-91.7-6.9179.5-57.4-17123.500113.2L207L207-Q209 PolarHBondContact O-N 3.41Å; L207-Q209 VanDerWaalsContact O-N 3.14Å
210V95.1Very high91.6Very high13 Ų1371.2 Ų71.28%0.07939%0.393CS..SBendtrans-83.6140.5178.7-179.90000109.1P99 E101 V102 L207 T214 I215P99-V210 HydrophobicContact CB-CG1 4.33Å; P99-V210 HydrophobicContact CB-CG2 4.21Å; P99-V210 HydrophobicContact CG-CG1 4.34Å; P99-V210 HydrophobicContact CG-CG2 4.44Å; E101-V210 HydrophobicContact CG-CG2 4.14Å; V102-V210 HydrophobicContact CG1-CG2 3.23Å; L207-V210 HydrophobicContact CD2-CG2 4.05Å; L207-V210 WeakPolarHBondContact O-CB 3.29Å; L207-V210 PolarHBondContact O-N 2.9Å; V210-T214 HydrophobicContact CG1-CG2 3.59Å; V210-I215 HydrophobicContact CB-CD1 3.76Å; V210-I215 HydrophobicContact CB-CG1 4.11Å; V210-I215 HydrophobicContact CG1-CD1 3.63Å; V210-I215 HydrophobicContact CG1-CG1 3.87Å; V210-I215 HydrophobicContact CG2-CD1 4.49Å
211D96.6Very high92.1Very high82 Ų8271.4 Ų71.444%0.43939%0.392SS..  trans-69.3150.8179.478.389.1000112R213 T214 I215D211-R213 PolarHBondContact O-N 3.12Å; D211-R213 VanDerWaalsContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.46Å; D211-R213 WeakPolarHBondContact OD1-CB 3.4Å; D211-R213 PolarHBondContact OD1-N 3.34Å; D211-T214 PolarHBondContact O-N 2.88Å; D211-T214 VanDerWaalsContact O-N 3.12Å; D211-T214 PolarHBondContact OD1-N 3.4Å; D211-T214 VanDerWaalsContact OD2-CB 3.29Å; D211-T214 WeakPolarHBondContact OD2-CB 3.48Å; D211-T214 PolarHBondContact OD2-OG1 3.15Å; D211-I215 PolarHBondContact O-N 3.08Å; D211-I215 VanDerWaalsContact O-N 3.07Å
212G96.1Very high92.4Very high61 Ų6168.2 Ų68.263%0.62938%0.378SS*.Hα-helixtrans-61.9-25-174.500000114.6S216G212-S216 WeakPolarHBondContact O-CB 3.36Å; G212-S216 PolarHBondContact O-N 3.35Å
213R96.7Very high92.8Very high197 Ų19770.7 Ų70.774%0.74339%0.387SS*.Hα-helixtrans-73.8-43.1176.9-177.1-177.2-179.9177.60.2110.5D211 I215 S216 L217D211-R213 PolarHBondContact O-N 3.12Å; D211-R213 VanDerWaalsContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.46Å; D211-R213 WeakPolarHBondContact OD1-CB 3.4Å; D211-R213 PolarHBondContact OD1-N 3.34Å; R213-I215 VanDerWaalsContact C-N 3.32Å; R213-S216 PolarHBondContact O-N 3.37Å; R213-L217 HydrophobicContact CG-CD1 4.43Å; R213-L217 WeakPolarHBondContact O-CG 3.33Å; R213-L217 PolarHBondContact O-N 3.27Å
214T96.9Very high93.3Very high31 Ų3168.6 Ų68.619%0.1936%0.357CS..Hα-helixtrans-62.9-40.5175.2-61.60000111.3P99 F152 V210 D211 L217 Y218P99-T214 HydrophobicContact CB-CG2 4.2Å; P99-T214 HydrophobicContact CG-CG2 4.34Å; F152-T214 HydrophobicContact CE1-CG2 4.09Å; V210-T214 HydrophobicContact CG1-CG2 3.59Å; D211-T214 PolarHBondContact O-N 2.88Å; D211-T214 VanDerWaalsContact O-N 3.12Å; D211-T214 PolarHBondContact OD1-N 3.4Å; D211-T214 VanDerWaalsContact OD2-CB 3.29Å; D211-T214 WeakPolarHBondContact OD2-CB 3.48Å; D211-T214 PolarHBondContact OD2-OG1 3.15Å; T214-L217 PolarHBondContact O-N 3.4Å; T214-Y218 WeakPolarHBondContact O-CB 3.14Å; T214-Y218 PolarHBondContact O-N 3.18Å
215I96.6Very high93.6Very high33 Ų3366.5 Ų66.517%0.16935%0.348CS..Hα-helixtrans-59.7-48173.5-64.9-57.2000111.6L207 V210 D211 R213 L217 Y218 E219L207-I215 HydrophobicContact CB-CD1 4.02Å; L207-I215 HydrophobicContact CD1-CD1 4.2Å; L207-I215 HydrophobicContact CD2-CD1 4.2Å; L207-I215 HydrophobicContact CG-CD1 4.38Å; V210-I215 HydrophobicContact CB-CD1 3.76Å; V210-I215 HydrophobicContact CB-CG1 4.11Å; V210-I215 HydrophobicContact CG1-CD1 3.63Å; V210-I215 HydrophobicContact CG1-CG1 3.87Å; V210-I215 HydrophobicContact CG2-CD1 4.49Å; D211-I215 PolarHBondContact O-N 3.08Å; D211-I215 VanDerWaalsContact O-N 3.07Å; R213-I215 VanDerWaalsContact C-N 3.32Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.04Å; I215-Y218 WeakPolarHBondContact O-CB 3.49Å; I215-Y218 PolarHBondContact O-N 3.15Å; I215-Y218 VanDerWaalsContact O-N 3.1Å; I215-E219 WeakPolarHBondContact O-CG 3.48Å; I215-E219 PolarHBondContact O-N 3.27Å
216S95.8Very high93.8Very high57 Ų5765.2 Ų65.240%0.39934%0.341SS..Hα-helixtrans-61.1-39.1178.1-179.50000112.8G212 R213 E219 K220G212-S216 WeakPolarHBondContact O-CB 3.36Å; G212-S216 PolarHBondContact O-N 3.35Å; R213-S216 PolarHBondContact O-N 3.37Å; S216-E219 PolarHBondContact O-N 3.06Å; S216-K220 PolarHBondContact O-N 2.99Å; S216-K220 VanDerWaalsContact O-N 3.15Å
217L96.8Very high94.1Very high57 Ų5766.6 Ų66.630%0.29834%0.343SS..Hα-helixtrans-67.6-37.4174.2-70.7171.4000111.9F152 R213 T214 I215 K220 Y221 F287F152-L217 HydrophobicContact CZ-CB 4.05Å; R213-L217 HydrophobicContact CG-CD1 4.43Å; R213-L217 WeakPolarHBondContact O-CG 3.33Å; R213-L217 PolarHBondContact O-N 3.27Å; T214-L217 PolarHBondContact O-N 3.4Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.04Å; L217-K220 PolarHBondContact O-N 2.94Å; L217-Y221 WeakPolarHBondContact O-CB 3.36Å; L217-Y221 PolarHBondContact O-N 3.39Å; L217-F287 HydrophobicContact CB-CE1 4.13Å; L217-F287 HydrophobicContact CD2-CB 4.47Å; L217-F287 HydrophobicContact CD2-CD1 3.75Å; L217-F287 HydrophobicContact CD2-CE1 4.11Å; L217-F287 HydrophobicContact CD2-CG 4.09Å; L217-F287 WeakPolarHBondContact O-CE1 3.38Å
218Y95.9Very high94Very high0 Ų068.2 Ų68.20%035%0.354CS..Hα-helixtrans-65.9-40.3176.8-176.4-132.5000111.6M97 P99 F152 A200 L202 T214 I215 Y221 L222M97-Y218 HydrophobicContact CG-CE2 4.31Å; P99-Y218 HydrophobicContact CG-CD1 4.32Å; P99-Y218 HydrophobicContact CG-CG 4.36Å; F152-Y218 HydrophobicContact CB-CD2 4.1Å; F152-Y218 HydrophobicContact CB-CE2 4.19Å; F152-Y218 AromaticContact CD1-CD2 3.77Å; F152-Y218 HydrophobicContact CD1-CD2 3.77Å; F152-Y218 HydrophobicContact CD1-CG 4.32Å; F152-Y218 AromaticContact CD2-CD2 3.91Å; F152-Y218 HydrophobicContact CD2-CD2 3.91Å; F152-Y218 HydrophobicContact CE1-CD2 4.11Å; F152-Y218 HydrophobicContact CE1-CG 4.27Å; F152-Y218 HydrophobicContact CE2-CD2 4.23Å; F152-Y218 AromaticContact CG-CD2 3.65Å; F152-Y218 HydrophobicContact CG-CD2 3.65Å; F152-Y218 HydrophobicContact CG-CE2 4.24Å; F152-Y218 HydrophobicContact CZ-CD2 4.31Å; F152-Y218 HydrophobicContact CZ-CG 4.48Å; A200-Y218 HydrophobicContact CB-CE1 4.41Å; A200-Y218 VanDerWaalsContact O-CE1 3.29Å; A200-Y218 WeakPolarHBondContact O-CE1 2.87Å; A200-Y218 PolarHBondContact O-OH 3.45Å; L202-Y218 HydrophobicContact CD2-CD1 3.98Å; L202-Y218 HydrophobicContact CD2-CE1 4.33Å; T214-Y218 WeakPolarHBondContact O-CB 3.14Å; T214-Y218 PolarHBondContact O-N 3.18Å; I215-Y218 WeakPolarHBondContact O-CB 3.49Å; I215-Y218 PolarHBondContact O-N 3.15Å; I215-Y218 VanDerWaalsContact O-N 3.1Å; Y218-Y221 HydrophobicContact CD2-CD1 4.36Å; Y218-Y221 HydrophobicContact CE2-CD1 4.43Å; Y218-Y221 WeakPolarHBondContact O-CB 3.31Å; Y218-Y221 PolarHBondContact O-N 3.34Å; Y218-L222 HydrophobicContact CD1-CD1 4.18Å; Y218-L222 HydrophobicContact CD2-CG 4.24Å; Y218-L222 HydrophobicContact CE1-CD1 3.83Å; Y218-L222 HydrophobicContact CE1-CG 4.41Å; Y218-L222 HydrophobicContact CE2-CD1 4.23Å; Y218-L222 HydrophobicContact CE2-CD2 3.87Å; Y218-L222 HydrophobicContact CE2-CG 3.9Å; Y218-L222 WeakPolarHBondContact O-CG 3.49Å; Y218-L222 PolarHBondContact O-N 3.21Å
219E95.3Very high94Very high81 Ų8163.2 Ų63.238%0.37933%0.329SS..Hα-helixtrans-58-48.7172.3-71.4176.7166.600111.9L202 I215 S216 Y221 L222 Q223L202-E219 HydrophobicContact CD1-CG 3.75Å; L202-E219 HydrophobicContact CD2-CG 3.65Å; L202-E219 HydrophobicContact CG-CG 4.37Å; I215-E219 WeakPolarHBondContact O-CG 3.48Å; I215-E219 PolarHBondContact O-N 3.27Å; S216-E219 PolarHBondContact O-N 3.06Å; E219-Y221 VanDerWaalsContact C-N 3.29Å; E219-Y221 PolarHBondContact O-N 3.45Å; E219-L222 PolarHBondContact O-N 3.37Å; E219-Q223 WeakPolarHBondContact O-CG 3.44Å; E219-Q223 PolarHBondContact O-N 2.86Å
220K95.9Very high94Very high58 Ų5861.8 Ų61.825%0.25232%0.323SS..Hα-helixtrans-58.1-42174.2-74.1-175167.8-160.60111.7S216 L217 Q223 H224 F287 D289S216-K220 PolarHBondContact O-N 2.99Å; S216-K220 VanDerWaalsContact O-N 3.15Å; L217-K220 PolarHBondContact O-N 2.94Å; K220-Q223 PolarHBondContact O-N 2.9Å; K220-H224 WeakPolarHBondContact O-CB 3.49Å; K220-H224 PolarHBondContact O-N 3.33Å; K220-F287 HydrophobicContact CB-CD1 4.21Å; K220-D289 IonicContact NZ-OD1 2.66Å; K220-D289 PolarHBondContact NZ-OD1 2.9Å; K220-D289 IonicContact NZ-OD2 3.81Å
221Y95.8Very high93.7Very high13 Ų1367.2 Ų67.25%0.05135%0.351CS..Hα-helixtrans-63.7-42.1177.4-178.8-110.4000112.8M97 P151 F152 N153 L217 Y218 E219 Q223 H224 C225 I286M97-Y221 HydrophobicContact CG-CE1 4.16Å; M97-Y221 HydrophobicContact SD-CD1 4.37Å; M97-Y221 HydrophobicContact SD-CE1 3.74Å; P151-Y221 HydrophobicContact CG-CD2 3.77Å; P151-Y221 HydrophobicContact CG-CE2 3.72Å; P151-Y221 WeakPolarHBondContact O-CE1 3.39Å; P151-Y221 PolarHBondContact O-OH 2.83Å; F152-Y221 HydrophobicContact CB-CD1 3.97Å; F152-Y221 HydrophobicContact CB-CE1 4.05Å; F152-Y221 AromaticContact CD2-CD1 3.5Å; F152-Y221 HydrophobicContact CD2-CD1 3.5Å; F152-Y221 HydrophobicContact CD2-CD2 4.24Å; F152-Y221 HydrophobicContact CD2-CE1 4.25Å; F152-Y221 AromaticContact CD2-CG 3.5Å; F152-Y221 HydrophobicContact CD2-CG 3.5Å; F152-Y221 VanDerWaalsContact CD2-CG 3.5Å; F152-Y221 HydrophobicContact CE2-CD1 4.41Å; F152-Y221 HydrophobicContact CE2-CG 4.06Å; F152-Y221 HydrophobicContact CG-CD1 4.12Å; N153-Y221 WeakPolarHBondContact ND2-CE1 3.28Å; N153-Y221 PolarHBondContact ND2-OH 2.91Å; L217-Y221 WeakPolarHBondContact O-CB 3.36Å; L217-Y221 PolarHBondContact O-N 3.39Å; Y218-Y221 HydrophobicContact CD2-CD1 4.36Å; Y218-Y221 HydrophobicContact CE2-CD1 4.43Å; Y218-Y221 WeakPolarHBondContact O-CB 3.31Å; Y218-Y221 PolarHBondContact O-N 3.34Å; E219-Y221 VanDerWaalsContact C-N 3.29Å; E219-Y221 PolarHBondContact O-N 3.45Å; Y221-Q223 VanDerWaalsContact C-N 3.34Å; Y221-Q223 PolarHBondContact O-N 3.33Å; Y221-H224 PolarHBondContact O-N 3.11Å; Y221-C225 WeakPolarHBondContact CE1-SG 3.36Å; Y221-C225 WeakPolarHBondContact O-CB 3.38Å; Y221-C225 PolarHBondContact O-N 3.16Å; Y221-C225 PolarHBondContact O-SG 3.14Å; Y221-C225 PolarHBondContact OH-SG 3.45Å; Y221-I286 HydrophobicContact CD2-CD1 4.39Å; Y221-I286 HydrophobicContact CD2-CG2 3.66Å; Y221-I286 HydrophobicContact CE2-CD1 4.19Å; Y221-I286 HydrophobicContact CE2-CG2 4.42Å
222L94Very high93.2Very high31 Ų3165.9 Ų65.916%0.16235%0.351CS..Hα-helixtrans-63.8-39176.5-70.3174.6000111.9M97 L202 Y218 E219 S226M97-L222 HydrophobicContact CE-CD2 3.35Å; M97-L222 HydrophobicContact SD-CD2 4.17Å; L202-L222 HydrophobicContact CD1-CD1 3.91Å; L202-L222 HydrophobicContact CD2-CD1 4.31Å; L202-L222 HydrophobicContact CG-CD1 3.9Å; Y218-L222 HydrophobicContact CD1-CD1 4.18Å; Y218-L222 HydrophobicContact CD2-CG 4.24Å; Y218-L222 HydrophobicContact CE1-CD1 3.83Å; Y218-L222 HydrophobicContact CE1-CG 4.41Å; Y218-L222 HydrophobicContact CE2-CD1 4.23Å; Y218-L222 HydrophobicContact CE2-CD2 3.87Å; Y218-L222 HydrophobicContact CE2-CG 3.9Å; Y218-L222 WeakPolarHBondContact O-CG 3.49Å; Y218-L222 PolarHBondContact O-N 3.21Å; E219-L222 PolarHBondContact O-N 3.37Å; L222-S226 WeakPolarHBondContact O-CB 3.49Å; L222-S226 PolarHBondContact O-N 3.49Å; L222-S226 PolarHBondContact O-OG 3.49Å
223Q93.8Very high92.9Very high133 Ų13364 Ų6462%0.62133%0.33SS*.Hα-helixtrans-63-48.8173.2-69.5169.9-400110.9E219 K220 Y221 C225 S226 M227E219-Q223 WeakPolarHBondContact O-CG 3.44Å; E219-Q223 PolarHBondContact O-N 2.86Å; K220-Q223 PolarHBondContact O-N 2.9Å; Y221-Q223 VanDerWaalsContact C-N 3.34Å; Y221-Q223 PolarHBondContact O-N 3.33Å; Q223-C225 PolarHBondContact O-N 3.03Å; Q223-S226 WeakPolarHBondContact O-CB 3.49Å; Q223-S226 PolarHBondContact O-N 3.09Å; Q223-S226 VanDerWaalsContact O-N 3.14Å; Q223-M227 PolarHBondContact O-N 2.86Å
224H93.3Very high92.7Very high31 Ų3156 Ų5614%0.14430%0.301CS..Hα-helixtrans-57.5-46.7176178.483.9000111.9K220 Y221 S226 M227 V228 I285 I286K220-H224 WeakPolarHBondContact O-CB 3.49Å; K220-H224 PolarHBondContact O-N 3.33Å; Y221-H224 PolarHBondContact O-N 3.11Å; H224-S226 VanDerWaalsContact C-N 3.31Å; H224-S226 PolarHBondContact O-N 3.02Å; H224-M227 PolarHBondContact O-N 3.27Å; H224-V228 WeakPolarHBondContact NE2-CG2 3.37Å; H224-V228 WeakPolarHBondContact O-CG2 3.19Å; H224-V228 PolarHBondContact O-N 2.76Å; H224-I285 PolarHBondContact CE1-O 2.76Å; H224-I285 PolarHBondContact ND1-O 3.33Å; H224-I286 HydrophobicContact CB-CG2 4.42Å
225C91.8Very high92.6Very high20 Ų2058.9 Ų58.914%0.13532%0.315CS..Hα-helixtrans-58.1-45.6175.9-71.80000111.2Y221 Q223 M227 V228 F229Y221-C225 WeakPolarHBondContact CE1-SG 3.36Å; Y221-C225 WeakPolarHBondContact O-CB 3.38Å; Y221-C225 PolarHBondContact O-N 3.16Å; Y221-C225 PolarHBondContact O-SG 3.14Å; Y221-C225 PolarHBondContact OH-SG 3.45Å; Q223-C225 PolarHBondContact O-N 3.03Å; C225-M227 VanDerWaalsContact C-N 3.31Å; C225-M227 PolarHBondContact O-N 3.39Å; C225-V228 PolarHBondContact O-N 2.96Å; C225-F229 VanDerWaalsContact O-CD2 3.29Å; C225-F229 WeakPolarHBondContact O-CD2 3.18Å; C225-F229 PolarHBondContact O-N 3.34Å
226S91Very high92.4Very high64 Ų6458.7 Ų58.745%0.44832%0.316SS..Hα-helixtrans-58.1-44.9178.6-58.50000111.5L222 Q223 H224 F229 Q230L222-S226 WeakPolarHBondContact O-CB 3.49Å; L222-S226 PolarHBondContact O-N 3.49Å; L222-S226 PolarHBondContact O-OG 3.49Å; Q223-S226 WeakPolarHBondContact O-CB 3.49Å; Q223-S226 PolarHBondContact O-N 3.09Å; Q223-S226 VanDerWaalsContact O-N 3.14Å; H224-S226 VanDerWaalsContact C-N 3.31Å; H224-S226 PolarHBondContact O-N 3.02Å; S226-F229 PolarHBondContact O-N 2.86Å; S226-Q230 WeakPolarHBondContact O-CB 3.37Å; S226-Q230 VanDerWaalsContact O-CG 3.23Å; S226-Q230 WeakPolarHBondContact O-CG 3.27Å; S226-Q230 PolarHBondContact O-N 3.1Å
227M91.3Very high92.2Very high73 Ų7360.3 Ų60.336%0.3632%0.317SS..Hα-helixtrans-63.4-45.5175.2175.3-179.847.600112.4Q223 H224 C225 F229 Q230 N231Q223-M227 PolarHBondContact O-N 2.86Å; H224-M227 PolarHBondContact O-N 3.27Å; C225-M227 VanDerWaalsContact C-N 3.31Å; C225-M227 PolarHBondContact O-N 3.39Å; M227-F229 VanDerWaalsContact C-N 3.34Å; M227-F229 PolarHBondContact O-N 2.84Å; M227-Q230 PolarHBondContact O-N 3.43Å; M227-N231 WeakPolarHBondContact CG-ND2 3.21Å; M227-N231 WeakPolarHBondContact O-CB 3.49Å; M227-N231 PolarHBondContact O-N 2.9Å; M227-N231 PolarHBondContact O-ND2 3.15Å
228V89.8Confident92.1Very high48 Ų4861.6 Ų61.629%0.29132%0.324SS..Hα-helixtrans-60.6-44.6178.2167.40000110.9P188 H224 C225 N231 A232P188-V228 HydrophobicContact CG-CG1 4.04Å; H224-V228 WeakPolarHBondContact NE2-CG2 3.37Å; H224-V228 WeakPolarHBondContact O-CG2 3.19Å; H224-V228 PolarHBondContact O-N 2.76Å; C225-V228 PolarHBondContact O-N 2.96Å; V228-N231 PolarHBondContact O-N 3.23Å; V228-A232 WeakPolarHBondContact O-CA 3.29Å; V228-A232 WeakPolarHBondContact O-CB 3.21Å; V228-A232 PolarHBondContact O-N 3.11Å
229F88.1Confident92.1Very high58 Ų5861.6 Ų61.625%0.25432%0.324SS..Hα-helixtrans-66.9-38.2177.8-87-80.6000112.4P188 L194 C225 S226 M227 N231 A233P188-F229 HydrophobicContact CB-CD1 3.63Å; P188-F229 HydrophobicContact CB-CE1 3.36Å; P188-F229 HydrophobicContact CB-CE2 4.29Å; P188-F229 HydrophobicContact CB-CG 4.21Å; P188-F229 HydrophobicContact CB-CZ 3.71Å; L194-F229 HydrophobicContact CD1-CD1 3.46Å; L194-F229 VanDerWaalsContact CD1-CD1 3.46Å; L194-F229 HydrophobicContact CD1-CD2 4.34Å; L194-F229 HydrophobicContact CD1-CE1 3.45Å; L194-F229 VanDerWaalsContact CD1-CE1 3.45Å; L194-F229 HydrophobicContact CD1-CE2 4.36Å; L194-F229 HydrophobicContact CD1-CG 3.92Å; L194-F229 HydrophobicContact CD1-CZ 3.95Å; L194-F229 HydrophobicContact CD2-CD2 4.42Å; L194-F229 HydrophobicContact CD2-CE1 3.91Å; L194-F229 HydrophobicContact CD2-CE2 3.8Å; L194-F229 HydrophobicContact CD2-CZ 3.51Å; L194-F229 HydrophobicContact CG-CD1 4.29Å; L194-F229 HydrophobicContact CG-CE1 3.77Å; L194-F229 HydrophobicContact CG-CZ 3.93Å; C225-F229 VanDerWaalsContact O-CD2 3.29Å; C225-F229 WeakPolarHBondContact O-CD2 3.18Å; C225-F229 PolarHBondContact O-N 3.34Å; S226-F229 PolarHBondContact O-N 2.86Å; M227-F229 VanDerWaalsContact C-N 3.34Å; M227-F229 PolarHBondContact O-N 2.84Å; F229-N231 VanDerWaalsContact C-N 3.32Å; F229-N231 PolarHBondContact O-N 3.3Å; F229-A233 HydrophobicContact CD1-CB 3.94Å; F229-A233 WeakPolarHBondContact O-CB 3.33Å; F229-A233 PolarHBondContact O-N 3.39Å
230Q88.6Confident92.2Very high157 Ų15757.8 Ų57.873%0.73431%0.306SS*.Hα-helixtrans-64.2-36.3176-75.4170.611.300112.9S226 M227S226-Q230 WeakPolarHBondContact O-CB 3.37Å; S226-Q230 VanDerWaalsContact O-CG 3.23Å; S226-Q230 WeakPolarHBondContact O-CG 3.27Å; S226-Q230 PolarHBondContact O-N 3.1Å; M227-Q230 PolarHBondContact O-N 3.43Å
231N87.4Confident92.3Very high126 Ų12658.9 Ų58.967%0.67431%0.312SS*.Hα-helixtrans-100.9-23.2-170.2-67-35.6000114.6M227 V228 F229M227-N231 WeakPolarHBondContact CG-ND2 3.21Å; M227-N231 WeakPolarHBondContact O-CB 3.49Å; M227-N231 PolarHBondContact O-N 2.9Å; M227-N231 PolarHBondContact O-ND2 3.15Å; V228-N231 PolarHBondContact O-N 3.23Å; F229-N231 VanDerWaalsContact C-N 3.32Å; F229-N231 PolarHBondContact O-N 3.3Å
232A87.4Confident92.4Very high54 Ų5459.3 Ų59.345%0.44632%0.316SS..Hα-helixtrans-133.5-0.6-168.800000114.4P188 V228 Q234P188-A232 HydrophobicContact CG-CB 4.38Å; V228-A232 WeakPolarHBondContact O-CA 3.29Å; V228-A232 WeakPolarHBondContact O-CB 3.21Å; V228-A232 PolarHBondContact O-N 3.11Å; A232-Q234 PolarHBondContact O-N 3.32Å
233A89.4Confident92.6Very high22 Ų2257.8 Ų57.818%0.18231%0.308CS..PPolyproline II helixtrans-67.1130.117600000110.9P188 N190 F229P188-A233 HydrophobicContact CB-CB 4.29Å; P188-A233 WeakPolarHBondContact O-CA 3.39Å; N190-A233 WeakPolarHBondContact OD1-CB 3.21Å; F229-A233 HydrophobicContact CD1-CB 3.94Å; F229-A233 WeakPolarHBondContact O-CB 3.33Å; F229-A233 PolarHBondContact O-N 3.39Å
234Q92.4Very high92.8Very high30 Ų3051.6 Ų51.614%0.1428%0.28CS..BIsolated β-bridgetrans-88.9154177.2-58.4-176.6-105.400110.3P188 V189 N190 A232 I239 T258P188-Q234 PolarHBondContact O-N 3.13Å; V189-Q234 CarbonylContact C-O 3.51Å; V189-Q234 WeakPolarHBondContact CA-O 3.12Å; N190-Q234 PolarHBondContact N-O 2.92Å; A232-Q234 PolarHBondContact O-N 3.32Å; Q234-I239 HydrophobicContact CB-CD1 3.99Å; Q234-T258 PolarHBondContact NE2-O 2.94Å; Q234-T258 PolarHBondContact OE1-O 3.02Å; Q234-T258 PolarHBondContact OE1-OG1 3.31Å
235D93.5Very high93Very high91 Ų9154.8 Ų54.849%0.48730%0.298SS..PPolyproline II helixtrans-80154.1172.2-70.2-28.9000110.5N190 E237 D238 I239N190-D235 PolarHBondContact ND2-OD1 3.18Å; D235-E237 PolarHBondContact O-N 3.29Å; D235-E237 VanDerWaalsContact O-N 3.11Å; D235-D238 PolarHBondContact N-OD2 2.89Å; D235-D238 PolarHBondContact O-N 3.05Å; D235-D238 VanDerWaalsContact O-N 3.16Å; D235-I239 PolarHBondContact O-N 3.49Å
236T92.8Very high93.3Very high28 Ų2853.9 Ų53.917%0.17229%0.292CS..Hα-helixtrans-59.9-26.7-179.256.20000112.7S20 V189 I239 V240S20-T236 WeakPolarHBondContact OG-CB 3.3Å; S20-T236 PolarHBondContact OG-OG1 3.33Å; V189-T236 HydrophobicContact CG1-CG2 4.02Å; T236-I239 PolarHBondContact O-N 3.48Å; T236-V240 VanDerWaalsContact O-CG2 3.24Å; T236-V240 WeakPolarHBondContact O-CG2 3.29Å; T236-V240 PolarHBondContact O-N 2.95Å
237E92.9Very high93.7Very high92 Ų9250.9 Ų50.943%0.4327%0.271SS..Hα-helixtrans-66.5-42.1179-16164.8-160.100111.6D235 I239 V240 E241D235-E237 PolarHBondContact O-N 3.29Å; D235-E237 VanDerWaalsContact O-N 3.11Å; E237-I239 VanDerWaalsContact C-N 3.26Å; E237-I239 PolarHBondContact O-N 3.24Å; E237-V240 WeakPolarHBondContact O-CB 3.39Å; E237-V240 PolarHBondContact O-N 3.48Å; E237-V240 VanDerWaalsContact O-N 3.08Å; E237-E241 PolarHBondContact O-N 2.92Å
238D94.1Very high93.9Very high84 Ų8452.3 Ų52.345%0.44928%0.276SS..Hα-helixtrans-60.4-40.3176.3-58.6-41.2000111D235 V240 E241 V242D235-D238 PolarHBondContact N-OD2 2.89Å; D235-D238 PolarHBondContact O-N 3.05Å; D235-D238 VanDerWaalsContact O-N 3.16Å; D238-V240 VanDerWaalsContact C-N 3.35Å; D238-E241 PolarHBondContact O-N 3.41Å; D238-V242 PolarHBondContact O-N 3.49Å
239I96.4Very high94.3Very high0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-65.7-41.4176.8-50.5-57.5000110.6I17 V189 Q234 D235 T236 E237 E241 V242 F243 T258I17-I239 HydrophobicContact CD1-CG2 3.94Å; I17-I239 HydrophobicContact CG1-CB 4.42Å; I17-I239 HydrophobicContact CG1-CG2 4.03Å; I17-I239 HydrophobicContact CG2-CG2 4.03Å; V189-I239 HydrophobicContact CG1-CG1 3.94Å; V189-I239 HydrophobicContact CG2-CD1 3.82Å; V189-I239 HydrophobicContact CG2-CG1 3.85Å; Q234-I239 HydrophobicContact CB-CD1 3.99Å; D235-I239 PolarHBondContact O-N 3.49Å; T236-I239 PolarHBondContact O-N 3.48Å; E237-I239 VanDerWaalsContact C-N 3.26Å; E237-I239 PolarHBondContact O-N 3.24Å; I239-E241 VanDerWaalsContact C-N 3.32Å; I239-E241 PolarHBondContact O-N 2.77Å; I239-V242 WeakPolarHBondContact O-CB 3.44Å; I239-V242 PolarHBondContact O-N 3.48Å; I239-F243 HydrophobicContact CG2-CD2 4.1Å; I239-F243 HydrophobicContact CG2-CE2 3.89Å; I239-F243 WeakPolarHBondContact O-CD2 3.45Å; I239-F243 PolarHBondContact O-N 3.02Å; I239-F243 VanDerWaalsContact O-N 3.14Å; I239-T258 HydrophobicContact CD1-CG2 3.65Å; I239-T258 HydrophobicContact CG2-CG2 4.27Å
240V97.5Very high94.6Very high0 Ų055.6 Ų55.60%030%0.303CS..Hα-helixtrans-61.6-39.9179.1164.80000111.5L21 R24 T236 E237 D238 V242 F243 L244L21-V240 HydrophobicContact CB-CG2 4.05Å; L21-V240 HydrophobicContact CD1-CG1 4.09Å; R24-V240 HydrophobicContact CB-CG1 3.72Å; R24-V240 HydrophobicContact CG-CG1 3.55Å; T236-V240 VanDerWaalsContact O-CG2 3.24Å; T236-V240 WeakPolarHBondContact O-CG2 3.29Å; T236-V240 PolarHBondContact O-N 2.95Å; E237-V240 WeakPolarHBondContact O-CB 3.39Å; E237-V240 PolarHBondContact O-N 3.48Å; E237-V240 VanDerWaalsContact O-N 3.08Å; D238-V240 VanDerWaalsContact C-N 3.35Å; V240-V242 VanDerWaalsContact C-N 3.28Å; V240-V242 PolarHBondContact O-N 2.87Å; V240-F243 WeakPolarHBondContact O-CA 3.38Å; V240-F243 WeakPolarHBondContact O-CB 3.34Å; V240-F243 PolarHBondContact O-N 3.34Å; V240-F243 VanDerWaalsContact O-N 3.09Å; V240-L244 HydrophobicContact CG1-CD1 4.37Å; V240-L244 HydrophobicContact CG1-CG 4.43Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 2.96Å
241E97.3Very high94.8Very high81 Ų8152.8 Ų52.838%0.37930%0.3SS..Hα-helixtrans-61.4-37.2176.1-69.6-60.1134.500111.8R24 E237 D238 I239 F243 L244 D245R24-E241 IonicContact NE-OE1 3.56Å; R24-E241 IonicContact NH2-OE1 3.66Å; E237-E241 PolarHBondContact O-N 2.92Å; D238-E241 PolarHBondContact O-N 3.41Å; I239-E241 VanDerWaalsContact C-N 3.32Å; I239-E241 PolarHBondContact O-N 2.77Å; E241-F243 PolarHBondContact O-N 3.3Å; E241-L244 WeakPolarHBondContact O-CB 3.4Å; E241-L244 PolarHBondContact O-N 3.34Å; E241-L244 VanDerWaalsContact O-N 3.1Å; E241-L244 WeakPolarHBondContact OE1-CD1 3.03Å; E241-D245 PolarHBondContact O-N 2.83Å
242V97.9Very high95.3Very high22 Ų2247.8 Ų47.813%0.13328%0.275CS..Hα-helixtrans-65.7-36.9173.6-176.60000112.2I184 D238 I239 V240 L244 D245 A246 Y256 T258I184-V242 HydrophobicContact CD1-CG1 4.47Å; I184-V242 HydrophobicContact CG2-CB 4.36Å; I184-V242 HydrophobicContact CG2-CG1 3.89Å; D238-V242 PolarHBondContact O-N 3.49Å; I239-V242 WeakPolarHBondContact O-CB 3.44Å; I239-V242 PolarHBondContact O-N 3.48Å; V240-V242 VanDerWaalsContact C-N 3.28Å; V240-V242 PolarHBondContact O-N 2.87Å; V242-L244 VanDerWaalsContact C-N 3.34Å; V242-D245 PolarHBondContact O-N 3.39Å; V242-A246 PolarHBondContact O-N 2.9Å; V242-A246 VanDerWaalsContact O-N 3.17Å; V242-Y256 HydrophobicContact CG1-CD1 4.27Å; V242-Y256 HydrophobicContact CG1-CG 4.35Å; V242-T258 HydrophobicContact CB-CG2 4.34Å; V242-T258 HydrophobicContact CG1-CG2 4.33Å; V242-T258 HydrophobicContact CG2-CG2 4.23Å
243F98.5Very high95.8Very high0 Ų047.4 Ų47.40%027%0.272CS..Hα-helixtrans-62.8-41.3170.5-85.5-87.3000111.5I17 L21 V89 L139 T141 I184 I239 V240 E241 A246 I247I17-F243 HydrophobicContact CG2-CD2 4.21Å; I17-F243 HydrophobicContact CG2-CE2 3.64Å; I17-F243 HydrophobicContact CG2-CZ 4.31Å; L21-F243 HydrophobicContact CD1-CB 3.76Å; L21-F243 HydrophobicContact CD1-CG 4.34Å; L21-F243 HydrophobicContact CD2-CB 4.12Å; L21-F243 HydrophobicContact CD2-CD1 3.74Å; L21-F243 HydrophobicContact CD2-CD2 4.43Å; L21-F243 HydrophobicContact CD2-CE1 4.27Å; L21-F243 HydrophobicContact CD2-CG 3.84Å; V89-F243 HydrophobicContact CG1-CD1 4.29Å; V89-F243 HydrophobicContact CG1-CE1 3.72Å; V89-F243 HydrophobicContact CG1-CZ 4.49Å; L139-F243 HydrophobicContact CB-CD1 4.27Å; L139-F243 HydrophobicContact CB-CE1 4.11Å; L139-F243 HydrophobicContact CD1-CD1 4.44Å; T141-F243 WeakPolarHBondContact OG1-CZ 3.4Å; I184-F243 HydrophobicContact CB-CD2 4.45Å; I184-F243 HydrophobicContact CB-CE1 4.21Å; I184-F243 HydrophobicContact CB-CE2 3.88Å; I184-F243 HydrophobicContact CB-CZ 3.74Å; I184-F243 HydrophobicContact CG1-CD1 3.75Å; I184-F243 HydrophobicContact CG1-CD2 4.16Å; I184-F243 HydrophobicContact CG1-CE1 3.47Å; I184-F243 VanDerWaalsContact CG1-CE1 3.47Å; I184-F243 HydrophobicContact CG1-CE2 3.9Å; I184-F243 HydrophobicContact CG1-CG 4.07Å; I184-F243 HydrophobicContact CG1-CZ 3.54Å; I184-F243 HydrophobicContact CG2-CD2 4.06Å; I184-F243 HydrophobicContact CG2-CE2 3.73Å; I184-F243 HydrophobicContact CG2-CZ 4.14Å; I239-F243 HydrophobicContact CG2-CD2 4.1Å; I239-F243 HydrophobicContact CG2-CE2 3.89Å; I239-F243 WeakPolarHBondContact O-CD2 3.45Å; I239-F243 PolarHBondContact O-N 3.02Å; I239-F243 VanDerWaalsContact O-N 3.14Å; V240-F243 WeakPolarHBondContact O-CA 3.38Å; V240-F243 WeakPolarHBondContact O-CB 3.34Å; V240-F243 PolarHBondContact O-N 3.34Å; V240-F243 VanDerWaalsContact O-N 3.09Å; E241-F243 PolarHBondContact O-N 3.3Å; F243-A246 PolarHBondContact O-N 3.38Å; F243-I247 WeakPolarHBondContact O-CB 3.18Å; F243-I247 WeakPolarHBondContact O-CG1 3.36Å; F243-I247 PolarHBondContact O-N 2.9Å
244L98Very high96.2Very high3 Ų348.5 Ų48.52%0.01627%0.273CS..Hα-helixtrans-64.9-39.6178.3-67.4178000111.9R24 L25 V240 E241 V242 A246 I247 H248R24-L244 HydrophobicContact CG-CD1 3.9Å; R24-L244 VanDerWaalsContact CZ-CD1 3.45Å; R24-L244 VanDerWaalsContact NH2-CD1 3.31Å; L25-L244 HydrophobicContact CD2-CD2 3.52Å; L25-L244 HydrophobicContact CG-CD2 4.38Å; V240-L244 HydrophobicContact CG1-CD1 4.37Å; V240-L244 HydrophobicContact CG1-CG 4.43Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 2.96Å; E241-L244 WeakPolarHBondContact O-CB 3.4Å; E241-L244 PolarHBondContact O-N 3.34Å; E241-L244 VanDerWaalsContact O-N 3.1Å; E241-L244 WeakPolarHBondContact OE1-CD1 3.03Å; V242-L244 VanDerWaalsContact C-N 3.34Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 3.19Å; L244-I247 PolarHBondContact O-N 3.06Å; L244-H248 WeakPolarHBondContact O-CB 3.37Å; L244-H248 PolarHBondContact O-N 3.14Å; L244-H248 PolarHBondContact O-ND1 3.45Å
245D97.8Very high96.4Very high98 Ų9850.9 Ų50.952%0.52428%0.28SS..Hα-helixtrans-57.2-46.6172.9-77.3-15.3000111.2E241 V242 S249 Y256E241-D245 PolarHBondContact O-N 2.83Å; V242-D245 PolarHBondContact O-N 3.39Å; D245-S249 WeakPolarHBondContact O-CB 3.42Å; D245-S249 PolarHBondContact O-N 2.92Å; D245-Y256 HydrophobicContact CB-CE1 4.31Å
246A98.1Very high96.6Very high1 Ų148.3 Ų48.31%0.00826%0.264CS..Hα-helixtrans-68-34.9177.200000113R137 L139 I184 V242 F243 L244 Y256R137-A246 PolarHBondContact NH1-O 3.03Å; L139-A246 HydrophobicContact CD2-CB 3.47Å; L139-A246 VanDerWaalsContact CD2-CB 3.47Å; I184-A246 HydrophobicContact CD1-CB 3.91Å; V242-A246 PolarHBondContact O-N 2.9Å; V242-A246 VanDerWaalsContact O-N 3.17Å; F243-A246 PolarHBondContact O-N 3.38Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 3.19Å; A246-Y256 HydrophobicContact CB-CD1 4.38Å; A246-Y256 HydrophobicContact CB-CD2 3.9Å; A246-Y256 HydrophobicContact CB-CE1 4.13Å; A246-Y256 HydrophobicContact CB-CE2 3.6Å; A246-Y256 HydrophobicContact CB-CG 4.28Å
247I97.8Very high96.7Very high1 Ų150.4 Ų50.41%0.00527%0.271CS..Hα-helixtrans-69-42.4176.8-74.3167.9000111.5L25 F33 I87 R137 L139 F243 L244L25-I247 HydrophobicContact CD1-CD1 4.02Å; L25-I247 HydrophobicContact CD2-CD1 4.06Å; F33-I247 HydrophobicContact CE1-CG2 3.98Å; F33-I247 HydrophobicContact CZ-CG2 3.91Å; I87-I247 HydrophobicContact CD1-CG1 4.43Å; I87-I247 HydrophobicContact CD1-CG2 3.73Å; I87-I247 HydrophobicContact CG2-CG1 4.33Å; R137-I247 PolarHBondContact NH1-O 3.17Å; L139-I247 HydrophobicContact CD1-CD1 4.04Å; L139-I247 HydrophobicContact CD1-CG1 3.42Å; L139-I247 VanDerWaalsContact CD1-CG1 3.42Å; F243-I247 WeakPolarHBondContact O-CB 3.18Å; F243-I247 WeakPolarHBondContact O-CG1 3.36Å; F243-I247 PolarHBondContact O-N 2.9Å; L244-I247 PolarHBondContact O-N 3.06Å
248H96.7Very high96.7Very high102 Ų10246.8 Ų46.847%0.47226%0.255SS..Hα-helixtrans-87.4-21-174.8-65.2143.7000113.7F33 L244 T250F33-H248 AromaticContact CE2-NE2 3.95Å; F33-H248 AromaticContact CZ-NE2 3.57Å; L244-H248 WeakPolarHBondContact O-CB 3.37Å; L244-H248 PolarHBondContact O-N 3.14Å; L244-H248 PolarHBondContact O-ND1 3.45Å; H248-T250 PolarHBondContact O-N 2.93Å
249S97.1Very high96.1Very high33 Ų3344.2 Ų44.223%0.23124%0.241CC..  trans-56.9131.3-179.3175.90000112.1R137 D245 S251 P252R137-S249 PolarHBondContact NH1-O 3.1Å; R137-S249 PolarHBondContact NH2-O 2.78Å; D245-S249 WeakPolarHBondContact O-CB 3.42Å; D245-S249 PolarHBondContact O-N 2.92Å; S249-S251 PolarHBondContact O-N 2.64Å; S249-S251 PolarHBondContact OG-N 3.07Å; S249-S251 PolarHBondContact OG-O 2.61Å; S249-P252 WeakPolarHBondContact OG-CA 3.28Å
250T94.6Very high95.1Very high143 Ų14349.3 Ų49.388%0.87728%0.277SS*.SBendtrans-70.7-21.2173.752.40000112.7H248H248-T250 PolarHBondContact O-N 2.93Å
251S93.8Very high93.7Very high98 Ų9854.1 Ų54.169%0.68531%0.306SS*.SBendtrans-140.376.3177.7178.90000108.9S249S249-S251 PolarHBondContact O-N 2.64Å; S249-S251 PolarHBondContact OG-N 3.07Å; S249-S251 PolarHBondContact OG-O 2.61Å
252P96.7Very high92.5Very high20 Ų2051.9 Ų51.913%0.1330%0.296CS..  trans-65.8139.1-173.629.4-36.8000111.4Q180 S249 Y256Q180-P252 HydrophobicContact CB-CG 3.53Å; Q180-P252 HydrophobicContact CG-CG 3.56Å; S249-P252 WeakPolarHBondContact OG-CA 3.28Å; P252-Y256 VanDerWaalsContact CA-OH 3.28Å; P252-Y256 WeakPolarHBondContact CA-OH 3.43Å; P252-Y256 HydrophobicContact CB-CE2 4.39Å
253A97.6Very high91.5Very high47 Ų4753.4 Ų53.439%0.38831%0.306SS..  trans-72.9158.5175.900000111.1S182 Y256S182-A253 WeakPolarHBondContact CB-O 3.47Å; S182-A253 PolarHBondContact OG-O 3.43Å; A253-Y256 HydrophobicContact CB-CD2 4.36Å; A253-Y256 HydrophobicContact CB-CE2 3.84Å; A253-Y256 PolarHBondContact N-OH 2.7Å; A253-Y256 VanDerWaalsContact O-CE2 3.27Å; A253-Y256 WeakPolarHBondContact O-CE2 3.29Å
254F98Very high90.6Very high45 Ų4557.1 Ų57.120%0.19733%0.33CS..SBendtrans-68.5-34.4173.7178.6-116.1000112.4C167 E168 A171 V181 S182 L183C167-F254 HydrophobicContact CB-CE2 4.21Å; C167-F254 HydrophobicContact CB-CZ 4.22Å; E168-F254 HydrophobicContact CB-CE1 3.8Å; E168-F254 HydrophobicContact CB-CE2 4.43Å; E168-F254 HydrophobicContact CB-CZ 3.54Å; E168-F254 HydrophobicContact CG-CE1 3.85Å; E168-F254 HydrophobicContact CG-CZ 4.04Å; A171-F254 HydrophobicContact CB-CD2 3.81Å; A171-F254 HydrophobicContact CB-CE2 3.84Å; V181-F254 HydrophobicContact CG1-CE2 4.25Å; V181-F254 WeakPolarHBondContact O-CD2 3.24Å; S182-F254 CarbonylContact C-O 3.57Å; S182-F254 VanDerWaalsContact CA-O 3.32Å; S182-F254 WeakPolarHBondContact CA-O 3.41Å; L183-F254 HydrophobicContact CD1-CE1 3.9Å; L183-F254 HydrophobicContact CD1-CE2 4.03Å; L183-F254 HydrophobicContact CD1-CZ 3.42Å; L183-F254 VanDerWaalsContact CD1-CZ 3.42Å; L183-F254 HydrophobicContact CG-CZ 4.48Å; L183-F254 PolarHBondContact N-O 3.12Å
255R97.2Very high89.7Confident79 Ų7958.3 Ų58.330%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-125.7137.2177.2-65.9-174.5178.290.50.7111.1E164 E168 L183 E185 F257E164-R255 IonicContact OE2-CZ 2.79Å; E164-R255 IonicContact OE2-NE 3.43Å; E164-R255 PolarHBondContact OE2-NE 3.13Å; E164-R255 IonicContact OE2-NH2 2.87Å; E164-R255 PolarHBondContact OE2-NH2 3.35Å; E168-R255 IonicContact OE2-CZ 3.02Å; E168-R255 IonicContact OE2-NH1 2.92Å; E168-R255 PolarHBondContact OE2-NH1 3.45Å; E168-R255 VanDerWaalsContact OE2-NH1 3.15Å; E168-R255 IonicContact OE2-NH2 3.73Å; E168-R255 PolarHBondContact OE2-NH2 3.18Å; L183-R255 WeakPolarHBondContact O-CA 3.36Å; E185-R255 HydrophobicContact CG-CB 4.37Å; E185-R255 IonicContact OE1-NE 2.81Å; R255-F257 HydrophobicContact CB-CE2 4.08Å; R255-F257 HydrophobicContact CB-CZ 4.47Å
256Y97.1Very high89.1Confident37 Ų3754.9 Ų54.915%0.14532%0.319CS..EExtended strand (participates in β ladder)trans-123.8123171.6-75.5-100.4000108.6L183 I184 E185 V242 D245 A246 P252 A253L183-Y256 PolarHBondContact O-N 3.47Å; I184-Y256 CarbonylContact C-O 3.54Å; I184-Y256 HydrophobicContact CD1-CD2 4.07Å; I184-Y256 HydrophobicContact CD1-CG 4.05Å; E185-Y256 PolarHBondContact N-O 3Å; V242-Y256 HydrophobicContact CG1-CD1 4.27Å; V242-Y256 HydrophobicContact CG1-CG 4.35Å; D245-Y256 HydrophobicContact CB-CE1 4.31Å; A246-Y256 HydrophobicContact CB-CD1 4.38Å; A246-Y256 HydrophobicContact CB-CD2 3.9Å; A246-Y256 HydrophobicContact CB-CE1 4.13Å; A246-Y256 HydrophobicContact CB-CE2 3.6Å; A246-Y256 HydrophobicContact CB-CG 4.28Å; P252-Y256 VanDerWaalsContact CA-OH 3.28Å; P252-Y256 WeakPolarHBondContact CA-OH 3.43Å; P252-Y256 HydrophobicContact CB-CE2 4.39Å; A253-Y256 HydrophobicContact CB-CD2 4.36Å; A253-Y256 HydrophobicContact CB-CE2 3.84Å; A253-Y256 PolarHBondContact N-OH 2.7Å; A253-Y256 VanDerWaalsContact O-CE2 3.27Å; A253-Y256 WeakPolarHBondContact O-CE2 3.29Å
257F94.6Very high88.6Confident73 Ų7360.9 Ų60.932%0.3235%0.347SS..EExtended strand (participates in β ladder)trans-96130.8-179.6-66.4-91.8000110.4L147 E185 R255 N259 P263L147-F257 HydrophobicContact CD1-CE1 3.57Å; L147-F257 HydrophobicContact CD1-CZ 4.16Å; E185-F257 HydrophobicContact CB-CD1 3.78Å; E185-F257 HydrophobicContact CB-CE1 4.08Å; E185-F257 HydrophobicContact CB-CG 4.37Å; E185-F257 HydrophobicContact CG-CD1 4.1Å; E185-F257 HydrophobicContact CG-CE1 3.98Å; E185-F257 HydrophobicContact CG-CZ 4.35Å; R255-F257 HydrophobicContact CB-CE2 4.08Å; R255-F257 HydrophobicContact CB-CZ 4.47Å; F257-N259 VanDerWaalsContact C-N 3.31Å; F257-P263 HydrophobicContact CD1-CG 4.38Å; F257-P263 HydrophobicContact CG-CG 4.28Å
258T93Very high88Confident15 Ų1563 Ų639%0.09236%0.358CS..SBendtrans-80.4-18.5177.970.40000112.1I184 E185 C186 G187 Q234 I239 V242I184-T258 HydrophobicContact CG2-CG2 3.8Å; E185-T258 PolarHBondContact O-N 2.89Å; E185-T258 VanDerWaalsContact O-N 3.13Å; E185-T258 PolarHBondContact O-OG1 3.03Å; C186-T258 WeakPolarHBondContact CA-OG1 3.41Å; G187-T258 PolarHBondContact N-OG1 3.31Å; Q234-T258 PolarHBondContact NE2-O 2.94Å; Q234-T258 PolarHBondContact OE1-O 3.02Å; Q234-T258 PolarHBondContact OE1-OG1 3.31Å; I239-T258 HydrophobicContact CD1-CG2 3.65Å; I239-T258 HydrophobicContact CG2-CG2 4.27Å; V242-T258 HydrophobicContact CB-CG2 4.34Å; V242-T258 HydrophobicContact CG1-CG2 4.33Å; V242-T258 HydrophobicContact CG2-CG2 4.23Å
259N83.1Confident87.5Confident31 Ų3161.1 Ų61.117%0.16635%0.349CS..  trans-130.1148.8176.964.313.8000111.9F257 M262F257-N259 VanDerWaalsContact C-N 3.31Å; N259-M262 VanDerWaalsContact CG-CG 3.5Å; N259-M262 WeakPolarHBondContact ND2-CG 3.29Å; N259-M262 VanDerWaalsContact OD1-CB 3.32Å; N259-M262 WeakPolarHBondContact OD1-CB 3.19Å; N259-M262 WeakPolarHBondContact OD1-CG 3.21Å
260S74.4Confident87.1Confident107 Ų10764.7 Ų64.775%0.74837%0.369SS*.SBendtrans-84.7-9.6-179.155.20000113.9P263S260-P263 WeakPolarHBondContact O-CD 2.76Å
261V68.8Low86.8Confident101 Ų10161.5 Ų61.561%0.61235%0.35SS*.SBendtrans-80.5-23.3-175.6-177.60000112.4P264V261-P264 WeakPolarHBondContact O-CD 3.22Å
262M71.6Confident86.4Confident33 Ų3360.8 Ų60.816%0.16334%0.335CS..Hα-helixtrans-81.8-31.3-173-64.8-68.9106.200115.9T144 N259 L265 T266T144-M262 HydrophobicContact CG2-CB 4.21Å; T144-M262 HydrophobicContact CG2-CG 3.4Å; T144-M262 HydrophobicContact CG2-SD 3.47Å; T144-M262 WeakPolarHBondContact CG2-SD 3.42Å; N259-M262 VanDerWaalsContact CG-CG 3.5Å; N259-M262 WeakPolarHBondContact ND2-CG 3.29Å; N259-M262 VanDerWaalsContact OD1-CB 3.32Å; N259-M262 WeakPolarHBondContact OD1-CB 3.19Å; N259-M262 WeakPolarHBondContact OD1-CG 3.21Å; M262-L265 PolarHBondContact O-N 2.86Å; M262-T266 WeakPolarHBondContact O-CB 3.41Å; M262-T266 PolarHBondContact O-N 3.17Å; M262-T266 PolarHBondContact O-OG1 3.39Å
263P76.9Confident85.8Confident54 Ų5466 Ų6635%0.35137%0.369SS..Hα-helixtrans-56.2-42.8176.8-25.733.9000114.5F257 S260 T266 Q267F257-P263 HydrophobicContact CD1-CG 4.38Å; F257-P263 HydrophobicContact CG-CG 4.28Å; S260-P263 WeakPolarHBondContact O-CD 2.76Å; P263-T266 PolarHBondContact O-N 2.88Å; P263-Q267 WeakPolarHBondContact O-CB 3.43Å; P263-Q267 PolarHBondContact O-N 3.37Å
264P79.9Confident85.5Confident78 Ų7869.1 Ų69.151%0.50638%0.379SS..Hα-helixtrans-61.8-42.5175.7-2635.2000114.8V261 T266 Q267 L268V261-P264 WeakPolarHBondContact O-CD 3.22Å; P264-T266 VanDerWaalsContact C-N 3.32Å; P264-Q267 WeakPolarHBondContact O-CB 3.43Å; P264-Q267 PolarHBondContact O-N 2.82Å; P264-L268 PolarHBondContact O-N 2.99Å
265L79.9Confident85.2Confident29 Ų2968 Ų6815%0.15238%0.38CS..Hα-helixtrans-67.4-36.9177.3-178.665.6000111.5M262 Q267 L268 K269 Y278 M282M262-L265 PolarHBondContact O-N 2.86Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-L268 HydrophobicContact CD1-CD2 4.47Å; L265-L268 PolarHBondContact O-N 3.31Å; L265-K269 PolarHBondContact O-N 2.84Å; L265-K269 VanDerWaalsContact O-N 3.13Å; L265-Y278 HydrophobicContact CD1-CD2 4Å; L265-Y278 HydrophobicContact CD1-CE2 4.02Å; L265-Y278 HydrophobicContact CD2-CE2 4.4Å; L265-Y278 HydrophobicContact CG-CD2 4.46Å; L265-Y278 HydrophobicContact CG-CE2 4.15Å; L265-M282 HydrophobicContact CD1-CE 4.41Å; L265-M282 HydrophobicContact CD2-CE 3.59Å
266T84.4Confident84.9Confident26 Ų2668.2 Ų68.216%0.1639%0.386CS..Hα-helixtrans-63.2-43.8173-51.10000110.9H148 M262 P263 P264 K269 V270H148-T266 PolarHBondContact CE1-OG1 3.1Å; H148-T266 WeakPolarHBondContact NE2-CA 3.4Å; H148-T266 PolarHBondContact NE2-N 3Å; H148-T266 PolarHBondContact NE2-OG1 2.89Å; M262-T266 WeakPolarHBondContact O-CB 3.41Å; M262-T266 PolarHBondContact O-N 3.17Å; M262-T266 PolarHBondContact O-OG1 3.39Å; P263-T266 PolarHBondContact O-N 2.88Å; P264-T266 VanDerWaalsContact C-N 3.32Å; T266-K269 PolarHBondContact O-N 3.32Å; T266-V270 WeakPolarHBondContact O-CG2 3.49Å; T266-V270 PolarHBondContact O-N 3.4Å; T266-V270 VanDerWaalsContact O-N 3.1Å
267Q87.1Confident84.6Confident127 Ų12770.3 Ų70.359%0.59340%0.397SS*.Hα-helixtrans-57.2-51175.6-173.5175.95.200110.9P263 P264 L265 K269 V270 T271P263-Q267 WeakPolarHBondContact O-CB 3.43Å; P263-Q267 PolarHBondContact O-N 3.37Å; P264-Q267 WeakPolarHBondContact O-CB 3.43Å; P264-Q267 PolarHBondContact O-N 2.82Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-K269 VanDerWaalsContact C-N 3.27Å; Q267-K269 PolarHBondContact O-N 3.35Å; Q267-V270 VanDerWaalsContact O-CG2 3.31Å; Q267-V270 WeakPolarHBondContact O-CG2 3.4Å; Q267-V270 PolarHBondContact O-N 3.14Å; Q267-V270 VanDerWaalsContact O-N 3.1Å; Q267-T271 HydrophobicContact CG-CG2 3.98Å; Q267-T271 WeakPolarHBondContact O-CG2 3.45Å; Q267-T271 PolarHBondContact O-N 3.39Å; Q267-T271 PolarHBondContact O-OG1 3.39Å
268L84.9Confident84.5Confident46 Ų4667.7 Ų67.724%0.24139%0.385CS..Hα-helixtrans-52.9-45.5177-178.666.8000112.2P264 L265 V270 T271 E272 E277 T281P264-L268 PolarHBondContact O-N 2.99Å; L265-L268 HydrophobicContact CD1-CD2 4.47Å; L265-L268 PolarHBondContact O-N 3.31Å; L268-V270 PolarHBondContact O-N 3.42Å; L268-T271 PolarHBondContact O-OG1 3.23Å; L268-E272 HydrophobicContact CD1-CG 4.32Å; L268-E272 PolarHBondContact O-N 3.49Å; L268-E277 HydrophobicContact CD1-CG 3.85Å; L268-E277 HydrophobicContact CG-CG 4.48Å; L268-T281 HydrophobicContact CD2-CG2 4.09Å
269K86.8Confident84.5Confident61 Ų6171.6 Ų71.627%0.26540%0.404SS..Hα-helixtrans-63-39.4179.8179.1-178.1167.4-177.70112.8L147 L265 T266 Q267 Y278L147-K269 VanDerWaalsContact O-CD 3.26Å; L147-K269 WeakPolarHBondContact O-CD 3.34Å; L147-K269 PolarHBondContact O-NZ 2.91Å; L265-K269 PolarHBondContact O-N 2.84Å; L265-K269 VanDerWaalsContact O-N 3.13Å; T266-K269 PolarHBondContact O-N 3.32Å; Q267-K269 VanDerWaalsContact C-N 3.27Å; Q267-K269 PolarHBondContact O-N 3.35Å; K269-Y278 HydrophobicContact CB-CD2 3.9Å; K269-Y278 HydrophobicContact CB-CG 4.1Å; K269-Y278 HydrophobicContact CG-CD2 4.34Å; K269-Y278 HydrophobicContact CG-CG 4.19Å
270V88Confident85Confident108 Ų10875.9 Ų75.966%0.65542%0.421SS*.Hα-helixtrans-87.6-22.9-175.3-60.80000113.4T266 Q267 L268T266-V270 WeakPolarHBondContact O-CG2 3.49Å; T266-V270 PolarHBondContact O-N 3.4Å; T266-V270 VanDerWaalsContact O-N 3.1Å; Q267-V270 VanDerWaalsContact O-CG2 3.31Å; Q267-V270 WeakPolarHBondContact O-CG2 3.4Å; Q267-V270 PolarHBondContact O-N 3.14Å; Q267-V270 VanDerWaalsContact O-N 3.1Å; L268-V270 PolarHBondContact O-N 3.42Å
271T88.4Confident85.8Confident77 Ų7772.6 Ų72.647%0.47240%0.397SS..Hα-helixtrans-83.5-23.8179.555.20000113.3Q267 L268 P273Q267-T271 HydrophobicContact CG-CG2 3.98Å; Q267-T271 WeakPolarHBondContact O-CG2 3.45Å; Q267-T271 PolarHBondContact O-N 3.39Å; Q267-T271 PolarHBondContact O-OG1 3.39Å; L268-T271 PolarHBondContact O-OG1 3.23Å; T271-P273 VanDerWaalsContact O-CD 3.3Å; T271-P273 WeakPolarHBondContact O-CD 3.49Å
272E87.1Confident86.9Confident83 Ų8368.7 Ų68.739%0.38837%0.372SS..SBendtrans-100.897.2178.2-64-57.7141.800110.5L268 D274 G275 E277L268-E272 HydrophobicContact CD1-CG 4.32Å; L268-E272 PolarHBondContact O-N 3.49Å; E272-D274 VanDerWaalsContact C-N 3.27Å; E272-D274 PolarHBondContact O-N 3.48Å; E272-D274 VanDerWaalsContact O-N 3.17Å; E272-G275 PolarHBondContact O-N 3.22Å; E272-E277 HydrophobicContact CB-CB 4.26Å; E272-E277 HydrophobicContact CG-CB 3.95Å; E272-E277 HydrophobicContact CG-CG 4.47Å
273P83.9Confident88Confident129 Ų12970 Ų7084%0.83838%0.384SS*.THydrogen-bonded Turntrans-68.6-19.5-164.226-35.1000114.8T271 G275T271-P273 VanDerWaalsContact O-CD 3.3Å; T271-P273 WeakPolarHBondContact O-CD 3.49Å; P273-G275 VanDerWaalsContact C-N 3.35Å
274D91.5Very high88.8Confident113 Ų11374.5 Ų74.560%0.60440%0.398SS*.THydrogen-bonded Turntrans-85.5-8.717673.84.5000113.4E272 M276E272-D274 VanDerWaalsContact C-N 3.27Å; E272-D274 PolarHBondContact O-N 3.48Å; E272-D274 VanDerWaalsContact O-N 3.17Å; D274-M276 PolarHBondContact O-N 2.88Å; D274-M276 VanDerWaalsContact O-N 3.16Å; D274-M276 WeakPolarHBondContact OD1-CB 3.48Å; D274-M276 PolarHBondContact OD1-N 3.46Å
275G90.1Very high89.3Confident21 Ų2175.2 Ų75.222%0.21640%0.397CS..  trans69.1-0.5-18000000115.5E272 P273 E277 Y278 I279E272-G275 PolarHBondContact O-N 3.22Å; P273-G275 VanDerWaalsContact C-N 3.35Å; G275-E277 PolarHBondContact O-N 2.88Å; G275-Y278 PolarHBondContact O-N 3.39Å; G275-I279 WeakPolarHBondContact O-CG1 3.04Å; G275-I279 PolarHBondContact O-N 3.29Å; G275-I279 VanDerWaalsContact O-N 3.15Å
276M92.3Very high90Very high83 Ų8374.3 Ų74.341%0.40939%0.392SS..Hα-helixtrans-70.2-35.6-171.6-74.7-57.5-55.900112.6D274 I279 K280D274-M276 PolarHBondContact O-N 2.88Å; D274-M276 VanDerWaalsContact O-N 3.16Å; D274-M276 WeakPolarHBondContact OD1-CB 3.48Å; D274-M276 PolarHBondContact OD1-N 3.46Å; M276-I279 PolarHBondContact O-N 3.44Å; M276-I279 HydrophobicContact SD-CD1 4.27Å; M276-K280 WeakPolarHBondContact O-CG 3.48Å; M276-K280 PolarHBondContact O-N 3.23Å
277E90.8Very high90.5Very high82 Ų8275 Ų7538%0.38339%0.393SS..Hα-helixtrans-67-40179.1-168.957.3-154.600111.8L268 E272 G275 K280 T281L268-E277 HydrophobicContact CD1-CG 3.85Å; L268-E277 HydrophobicContact CG-CG 4.48Å; E272-E277 HydrophobicContact CB-CB 4.26Å; E272-E277 HydrophobicContact CG-CB 3.95Å; E272-E277 HydrophobicContact CG-CG 4.47Å; G275-E277 PolarHBondContact O-N 2.88Å; E277-K280 PolarHBondContact O-N 2.85Å; E277-T281 WeakPolarHBondContact O-CB 3.23Å; E277-T281 PolarHBondContact O-N 3.22Å; E277-T281 PolarHBondContact O-OG1 3.03Å
278Y91.1Very high90.5Very high18 Ų1871.5 Ų71.57%0.07139%0.386CS..Hα-helixtrans-60.9-46.7172.3169.2-98000111.5H148 G149 L265 K269 G275 K280 T281 M282H148-Y278 WeakPolarHBondContact CA-OH 3.46Å; H148-Y278 HydrophobicContact CB-CE2 4.33Å; H148-Y278 VanDerWaalsContact CB-OH 3.22Å; H148-Y278 WeakPolarHBondContact CB-OH 3.36Å; G149-Y278 PolarHBondContact N-OH 3Å; G149-Y278 PolarHBondContact O-OH 2.99Å; L265-Y278 HydrophobicContact CD1-CD2 4Å; L265-Y278 HydrophobicContact CD1-CE2 4.02Å; L265-Y278 HydrophobicContact CD2-CE2 4.4Å; L265-Y278 HydrophobicContact CG-CD2 4.46Å; L265-Y278 HydrophobicContact CG-CE2 4.15Å; K269-Y278 HydrophobicContact CB-CD2 3.9Å; K269-Y278 HydrophobicContact CB-CG 4.1Å; K269-Y278 HydrophobicContact CG-CD2 4.34Å; K269-Y278 HydrophobicContact CG-CG 4.19Å; G275-Y278 PolarHBondContact O-N 3.39Å; Y278-K280 PolarHBondContact O-N 3.38Å; Y278-T281 PolarHBondContact O-N 3.19Å; Y278-M282 HydrophobicContact CE2-CE 3.85Å; Y278-M282 VanDerWaalsContact O-CB 3.29Å; Y278-M282 WeakPolarHBondContact O-CB 3.41Å; Y278-M282 PolarHBondContact O-N 3.15Å
279I93.5Very high90Very high96 Ų9673.7 Ų73.749%0.49240%0.398SS..Hα-helixtrans-60.6-47.7179.5-68.5167.2000111G275 M276 S283G275-I279 WeakPolarHBondContact O-CG1 3.04Å; G275-I279 PolarHBondContact O-N 3.29Å; G275-I279 VanDerWaalsContact O-N 3.15Å; M276-I279 PolarHBondContact O-N 3.44Å; M276-I279 HydrophobicContact SD-CD1 4.27Å; I279-S283 VanDerWaalsContact O-CB 3.27Å; I279-S283 WeakPolarHBondContact O-CB 3.46Å; I279-S283 PolarHBondContact O-N 3.35Å
280K93.1Very high88.6Confident122 Ų12279.3 Ų79.353%0.5343%0.425SS..Hα-helixtrans-62.4-46178.4-71.6171.9-173169.20111.6M276 E277 Y278 S283 K284M276-K280 WeakPolarHBondContact O-CG 3.48Å; M276-K280 PolarHBondContact O-N 3.23Å; E277-K280 PolarHBondContact O-N 2.85Å; Y278-K280 PolarHBondContact O-N 3.38Å; K280-S283 PolarHBondContact O-N 3.29Å; K280-K284 WeakPolarHBondContact O-CB 3.34Å; K280-K284 PolarHBondContact O-N 3.06Å
281T91.8Very high86.5Confident37 Ų3781.8 Ų81.823%0.22743%0.434CS..Hα-helixtrans-61.9-48.9179.7-64.40000110.9L268 E277 Y278 S283 K284 I285L268-T281 HydrophobicContact CD2-CG2 4.09Å; E277-T281 WeakPolarHBondContact O-CB 3.23Å; E277-T281 PolarHBondContact O-N 3.22Å; E277-T281 PolarHBondContact O-OG1 3.03Å; Y278-T281 PolarHBondContact O-N 3.19Å; T281-S283 PolarHBondContact O-N 3.11Å; T281-K284 PolarHBondContact O-N 2.92Å; T281-I285 HydrophobicContact CG2-CD1 3.72Å; T281-I285 HydrophobicContact CG2-CG1 4.45Å; T281-I285 VanDerWaalsContact O-CG1 3.28Å; T281-I285 WeakPolarHBondContact O-CG1 3.17Å; T281-I285 PolarHBondContact O-N 3.49Å
282M92.1Very high84Confident20 Ų2089.3 Ų89.310%0.09946%0.464CS..Hα-helixtrans-63.5-43178.5-172.157.370.100111.7L150 L265 Y278 K284 I285 I286L150-M282 HydrophobicContact CD2-CE 4.18Å; L150-M282 HydrophobicContact CD2-SD 4.35Å; L265-M282 HydrophobicContact CD1-CE 4.41Å; L265-M282 HydrophobicContact CD2-CE 3.59Å; Y278-M282 HydrophobicContact CE2-CE 3.85Å; Y278-M282 VanDerWaalsContact O-CB 3.29Å; Y278-M282 WeakPolarHBondContact O-CB 3.41Å; Y278-M282 PolarHBondContact O-N 3.15Å; M282-K284 VanDerWaalsContact C-N 3.28Å; M282-K284 PolarHBondContact O-N 3.29Å; M282-I285 PolarHBondContact O-N 3Å; M282-I286 HydrophobicContact CG-CD1 3.75Å; M282-I286 HydrophobicContact CG-CG1 4.45Å; M282-I286 WeakPolarHBondContact O-CB 3.5Å; M282-I286 WeakPolarHBondContact O-CG1 3.45Å; M282-I286 PolarHBondContact O-N 3.37Å; M282-I286 HydrophobicContact SD-CD1 3.49Å; M282-I286 WeakPolarHBondContact SD-CD1 3.42Å; M282-I286 HydrophobicContact SD-CG1 3.94Å
283S94.4Very high83.9Confident59 Ų5989.6 Ų89.641%0.41347%0.468SS..Hα-helixtrans-59.8-39.8174.8-175.70000111.9I279 K280 T281 F287I279-S283 VanDerWaalsContact O-CB 3.27Å; I279-S283 WeakPolarHBondContact O-CB 3.46Å; I279-S283 PolarHBondContact O-N 3.35Å; K280-S283 PolarHBondContact O-N 3.29Å; T281-S283 PolarHBondContact O-N 3.11Å; S283-F287 WeakPolarHBondContact O-CB 3.37Å; S283-F287 PolarHBondContact O-N 3.2Å
284K93.9Very high83.9Confident149 Ų14987.5 Ų87.565%0.64845%0.449SS*.Hα-helixtrans-68-45.3177.2-172.1177.4-179.8178.20111.3K280 T281 M282 I286 A288K280-K284 WeakPolarHBondContact O-CB 3.34Å; K280-K284 PolarHBondContact O-N 3.06Å; T281-K284 PolarHBondContact O-N 2.92Å; M282-K284 VanDerWaalsContact C-N 3.28Å; M282-K284 PolarHBondContact O-N 3.29Å; K284-I286 VanDerWaalsContact C-N 3.26Å; K284-I286 PolarHBondContact O-N 3.15Å; K284-A288 HydrophobicContact CG-CB 4.07Å; K284-A288 WeakPolarHBondContact O-CB 3.41Å; K284-A288 PolarHBondContact O-N 3.03Å
285I91.4Very high83.4Confident93 Ų9386.1 Ų86.148%0.47744%0.44SS..Hα-helixtrans-59.8-38179.2-71.7166.8000111.7H224 T281 M282H224-I285 PolarHBondContact CE1-O 2.76Å; H224-I285 PolarHBondContact ND1-O 3.33Å; T281-I285 HydrophobicContact CG2-CD1 3.72Å; T281-I285 HydrophobicContact CG2-CG1 4.45Å; T281-I285 VanDerWaalsContact O-CG1 3.28Å; T281-I285 WeakPolarHBondContact O-CG1 3.17Å; T281-I285 PolarHBondContact O-N 3.49Å; M282-I285 PolarHBondContact O-N 3Å
286I93.6Very high83.1Confident10 Ų1089.9 Ų89.95%0.05145%0.453CS..Hα-helixtrans-91.4-42.9-172.7-64.4178.5000112.6P151 Y221 H224 M282 K284P151-I286 HydrophobicContact CG-CD1 3.51Å; P151-I286 HydrophobicContact CG-CG2 4.41Å; Y221-I286 HydrophobicContact CD2-CD1 4.39Å; Y221-I286 HydrophobicContact CD2-CG2 3.66Å; Y221-I286 HydrophobicContact CE2-CD1 4.19Å; Y221-I286 HydrophobicContact CE2-CG2 4.42Å; H224-I286 HydrophobicContact CB-CG2 4.42Å; M282-I286 HydrophobicContact CG-CD1 3.75Å; M282-I286 HydrophobicContact CG-CG1 4.45Å; M282-I286 WeakPolarHBondContact O-CB 3.5Å; M282-I286 WeakPolarHBondContact O-CG1 3.45Å; M282-I286 PolarHBondContact O-N 3.37Å; M282-I286 HydrophobicContact SD-CD1 3.49Å; M282-I286 WeakPolarHBondContact SD-CD1 3.42Å; M282-I286 HydrophobicContact SD-CG1 3.94Å; K284-I286 VanDerWaalsContact C-N 3.26Å; K284-I286 PolarHBondContact O-N 3.15Å
287F94.9Very high82.5Confident41 Ų4190.4 Ų90.418%0.1846%0.456CS..Hα-helixtrans-114.2-6.8-165-57.1-63.5000115P151 F152 L217 K220 S283P151-F287 HydrophobicContact CB-CE2 4.42Å; P151-F287 HydrophobicContact CB-CZ 4.03Å; P151-F287 HydrophobicContact CG-CE2 4.17Å; P151-F287 HydrophobicContact CG-CZ 3.88Å; F152-F287 HydrophobicContact CE2-CE1 4.18Å; F152-F287 HydrophobicContact CE2-CZ 4.06Å; L217-F287 HydrophobicContact CB-CE1 4.13Å; L217-F287 HydrophobicContact CD2-CB 4.47Å; L217-F287 HydrophobicContact CD2-CD1 3.75Å; L217-F287 HydrophobicContact CD2-CE1 4.11Å; L217-F287 HydrophobicContact CD2-CG 4.09Å; L217-F287 WeakPolarHBondContact O-CE1 3.38Å; K220-F287 HydrophobicContact CB-CD1 4.21Å; S283-F287 WeakPolarHBondContact O-CB 3.37Å; S283-F287 PolarHBondContact O-N 3.2Å
288A87.6Confident81.9Confident54 Ų5490.9 Ų90.945%0.44646%0.461SS..SBendtrans-64.7138.8174.800000110.1K284K284-A288 HydrophobicContact CG-CB 4.07Å; K284-A288 WeakPolarHBondContact O-CB 3.41Å; K284-A288 PolarHBondContact O-N 3.03Å
289D73.4Confident81.3Confident92 Ų9296.1 Ų96.149%0.49249%0.489SS..  trans-70.4143169.6-60.5-44.7000108.3K220 D291K220-D289 IonicContact NZ-OD1 2.66Å; K220-D289 PolarHBondContact NZ-OD1 2.9Å; K220-D289 IonicContact NZ-OD2 3.81Å; D289-D291 PolarHBondContact O-N 2.66Å
290E57.9Low80.3Confident178 Ų17896.2 Ų96.283%0.83249%0.488SS*.THydrogen-bonded Turntrans-61.6-6.3-175.2-68.4-175.1157.400114.1
291D44Very low79.3Confident160 Ų16094 Ų9486%0.85649%0.485SS*.THydrogen-bonded Turntrans-117.440.9-174.5-71.1-40000114.8D289D289-D291 PolarHBondContact O-N 2.66Å
292Q36.2Very low78.1Confident235 Ų23599.2 Ų99.2100%1.09851%0.508SS*.  trans-130.30166.9-74.1-170.213.900114.8

Retrieved 292 of 292 residues in 950.9 ms (Link to these results)

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