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Methylated-DNA--protein-cysteine methyltransferase

Involved in the cellular defense against the biological effects of O6-methylguanine (O6-MeG) and O4-methylthymine (O4-MeT) in DNA. Repairs the methylated nucleobase in DNA by stoichiometrically transferring the methyl group to a cysteine residue in the enzyme. This is a suicide reaction: the enzyme is irreversibly inactivated.

AlphaFold DB (P0AFH0), UniProt , Accession P0AFH1, Species SHIFL (Shigella flexneri), Gene ogt, Length 171 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M91.2Very high97.7Very high160 Ų16052.7 Ų52.779%0.78827%0.274SS*.  0133.80-176.3177.1-7100107.5E52M1-E52 HydrophobicContact CG-CG 4.3Å; M1-E52 HydrophobicContact SD-CB 3.82Å; M1-E52 HydrophobicContact SD-CG 3.85Å
2L96.2Very high97.7Very high43 Ų4355.6 Ų55.623%0.22530%0.299CS..EExtended strand (participates in β ladder)trans-79.3124.9176.7-179.265.7000109.3L4 D21 Y46 G50 Y51 E52L2-L4 HydrophobicContact CD2-CD2 3.67Å; L2-L4 HydrophobicContact CD2-CG 4.38Å; L2-L4 HydrophobicContact CG-CD2 3.81Å; L2-L4 HydrophobicContact CG-CG 4.34Å; L2-D21 HydrophobicContact CD1-CB 3.92Å; L2-Y46 HydrophobicContact CD2-CD1 3.9Å; L2-Y46 HydrophobicContact CD2-CD2 4.31Å; L2-Y46 HydrophobicContact CD2-CE1 4.08Å; L2-Y46 HydrophobicContact CD2-CE2 4.47Å; L2-Y46 HydrophobicContact CD2-CG 4.04Å; L2-G50 PolarHBondContact N-O 3.05Å; L2-Y51 CarbonylContact O-C 3.54Å; L2-Y51 WeakPolarHBondContact O-CA 3.49Å; L2-Y51 WeakPolarHBondContact O-CB 3.34Å; L2-E52 PolarHBondContact O-N 3.1Å
3R98.4Very high97.6Very high97 Ų9753.3 Ų53.337%0.36629%0.286SS..EExtended strand (participates in β ladder)trans-91.9116.4176.3-74.7167.868.594.1-5.3109.1E22 E52 I54R3-E22 HydrophobicContact CB-CG 3.74Å; R3-E22 VanDerWaalsContact CD-OE1 3.23Å; R3-E22 WeakPolarHBondContact CD-OE1 3.46Å; R3-E22 IonicContact CZ-OE1 3.97Å; R3-E22 IonicContact NE-OE1 2.82Å; R3-E22 PolarHBondContact NE-OE1 3.16Å; R3-E52 HydrophobicContact CG-CG 3.85Å; R3-E52 WeakPolarHBondContact CG-OE1 3.47Å; R3-E52 IonicContact CZ-OE1 3.11Å; R3-E52 IonicContact NE-OE1 3.79Å; R3-E52 IonicContact NH1-OE1 2.71Å; R3-E52 PolarHBondContact NH1-OE1 3.19Å; R3-I54 HydrophobicContact CB-CD1 4.01Å; R3-I54 HydrophobicContact CG-CD1 3.94Å
4L98.5Very high97.6Very high0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans-102.8107.1-179.9-64-174.4000109.5L2 I19 C20 R27 L42 Y51 E52 R53 I54L2-L4 HydrophobicContact CD2-CD2 3.67Å; L2-L4 HydrophobicContact CD2-CG 4.38Å; L2-L4 HydrophobicContact CG-CD2 3.81Å; L2-L4 HydrophobicContact CG-CG 4.34Å; L4-I19 HydrophobicContact CB-CG2 3.71Å; L4-I19 HydrophobicContact CD1-CG2 4.05Å; L4-I19 HydrophobicContact CD2-CG2 4.33Å; L4-I19 HydrophobicContact CG-CG2 4.26Å; L4-C20 CarbonylContact C-O 3.57Å; L4-C20 VanDerWaalsContact CA-O 3.27Å; L4-C20 WeakPolarHBondContact CA-O 3.22Å; L4-R27 HydrophobicContact CD2-CB 3.91Å; L4-R27 HydrophobicContact CD2-CG 3.64Å; L4-L42 HydrophobicContact CD1-CD1 4.11Å; L4-L42 HydrophobicContact CD1-CD2 3.96Å; L4-Y51 HydrophobicContact CD1-CD2 3.5Å; L4-Y51 VanDerWaalsContact CD1-CD2 3.5Å; L4-Y51 HydrophobicContact CD1-CE2 4.15Å; L4-Y51 HydrophobicContact CD1-CG 3.9Å; L4-Y51 HydrophobicContact CG-CD2 4.26Å; L4-E52 WeakPolarHBondContact CB-O 3.49Å; L4-E52 PolarHBondContact N-O 3.01Å; L4-R53 HydrophobicContact CB-CG 4.45Å; L4-R53 CarbonylContact O-C 3.6Å; L4-R53 WeakPolarHBondContact O-CA 3.48Å; L4-I54 PolarHBondContact O-N 3.5Å
5L98.8Very high97.6Very high30 Ų3051.3 Ų51.316%0.15729%0.287CS..EExtended strand (participates in β ladder)trans-76.7129.4173.1-53.3178.1000108.2I19 C20 F24 I54 A56 P59L5-I19 WeakPolarHBondContact O-CA 3.19Å; L5-C20 PolarHBondContact N-O 3.46Å; L5-C20 PolarHBondContact O-N 3.09Å; L5-F24 HydrophobicContact CD1-CD1 4.31Å; L5-F24 HydrophobicContact CD1-CE1 3.85Å; L5-I54 CarbonylContact C-O 3.58Å; L5-I54 WeakPolarHBondContact CA-O 3.31Å; L5-I54 HydrophobicContact CD2-CB 4.31Å; L5-I54 HydrophobicContact CD2-CG2 4.43Å; L5-A56 HydrophobicContact CB-CB 3.95Å; L5-P59 HydrophobicContact CB-CB 3.83Å; L5-P59 HydrophobicContact CB-CG 4.41Å; L5-P59 HydrophobicContact CD1-CB 4.06Å
6E98.6Very high97.7Very high24 Ų2448.1 Ų48.111%0.11227%0.269CS..EExtended strand (participates in β ladder)trans-132.3142-17767.7175.9-158.200113.9W17 V18 I19 R53 I54 A56E6-W17 HydrophobicContact CB-CE3 4.25Å; E6-W17 HydrophobicContact CB-CZ3 4.26Å; E6-W17 HydrophobicContact CG-CE3 4.46Å; E6-W17 HydrophobicContact CG-CZ3 3.99Å; E6-V18 WeakPolarHBondContact CA-O 3.38Å; E6-I19 HydrophobicContact CB-CD1 4.29Å; E6-I19 HydrophobicContact CB-CG1 3.86Å; E6-R53 VanDerWaalsContact CD-NH2 3.34Å; E6-R53 IonicContact OE1-CZ 3.3Å; E6-R53 IonicContact OE1-NE 2.65Å; E6-R53 IonicContact OE1-NH2 3.69Å; E6-R53 PolarHBondContact OE1-NH2 3.33Å; E6-R53 IonicContact OE2-CZ 2.92Å; E6-R53 IonicContact OE2-NE 3.23Å; E6-R53 PolarHBondContact OE2-NE 3.34Å; E6-R53 IonicContact OE2-NH2 2.86Å; E6-R53 PolarHBondContact OE2-NH2 2.88Å; E6-I54 PolarHBondContact N-O 3.41Å; E6-A56 PolarHBondContact O-N 2.87Å
7E98.7Very high97.7Very high26 Ų2647.3 Ų47.312%0.12126%0.261CS..EExtended strand (participates in β ladder)trans-134.6142.4168.2-173.7-175.7169.900108.6I9 V18 A56 N58 S63 R67E7-I9 HydrophobicContact CG-CG2 4.01Å; E7-V18 PolarHBondContact N-O 3.08Å; E7-V18 PolarHBondContact O-N 3.12Å; E7-A56 WeakPolarHBondContact CB-O 3.5Å; E7-N58 WeakPolarHBondContact OE2-CA 3.44Å; E7-N58 PolarHBondContact OE2-N 3Å; E7-S63 WeakPolarHBondContact OE2-CB 3.48Å; E7-S63 PolarHBondContact OE2-OG 2.63Å; E7-R67 IonicContact OE1-CZ 3.89Å; E7-R67 IonicContact OE1-NH1 3.07Å; E7-R67 IonicContact OE1-NH2 3.84Å; E7-R67 PolarHBondContact OE1-NH2 3.39Å
8K98.6Very high97.8Very high90 Ų9044.7 Ų44.739%0.39125%0.247SC..EExtended strand (participates in β ladder)trans-101.1118.8166.5179.5161.158.1-179.10109.3P15 L16 W17 E32K8-P15 HydrophobicContact CD-CB 3.75Å; K8-P15 HydrophobicContact CG-CB 3.88Å; K8-L16 CarbonylContact C-O 3.5Å; K8-L16 WeakPolarHBondContact CA-O 3.04Å; K8-W17 HydrophobicContact CB-CD2 4.07Å; K8-W17 HydrophobicContact CB-CE3 3.92Å; K8-W17 HydrophobicContact CB-CH2 4.08Å; K8-W17 HydrophobicContact CB-CZ2 4.2Å; K8-W17 HydrophobicContact CB-CZ3 3.93Å; K8-W17 HydrophobicContact CD-CD2 4.43Å; K8-W17 HydrophobicContact CD-CZ2 3.93Å; K8-E32 HydrophobicContact CD-CB 4.35Å; K8-E32 HydrophobicContact CD-CG 4.44Å; K8-E32 WeakPolarHBondContact CD-OE2 3.49Å; K8-E32 IonicContact NZ-OE1 2.61Å; K8-E32 PolarHBondContact NZ-OE1 3.39Å; K8-E32 IonicContact NZ-OE2 3.7Å; K8-E32 PolarHBondContact NZ-OE2 3.41Å
9I98.6Very high97.9Very high3 Ų342.3 Ų42.32%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-104.3149.5-179.769.3172.9000111.2E7 T11 P15 L16 V18 L66 R67E7-I9 HydrophobicContact CG-CG2 4.01Å; I9-T11 HydrophobicContact CD1-CG2 4.19Å; I9-T11 HydrophobicContact CG1-CG2 3.98Å; I9-P15 CarbonylContact O-C 3.09Å; I9-P15 WeakPolarHBondContact O-CA 3.39Å; I9-L16 HydrophobicContact CD1-CD2 4.31Å; I9-L16 HydrophobicContact CG1-CB 4Å; I9-L16 PolarHBondContact N-O 3.43Å; I9-L16 PolarHBondContact O-N 2.93Å; I9-V18 HydrophobicContact CD1-CG2 4.03Å; I9-V18 HydrophobicContact CG1-CG2 4.18Å; I9-V18 HydrophobicContact CG2-CG2 4.26Å; I9-L66 HydrophobicContact CD1-CB 3.87Å; I9-R67 HydrophobicContact CD1-CG 4.31Å; I9-R67 VanDerWaalsContact CG2-NH2 3.3Å
10A98.4Very high97.9Very high87 Ų8740.2 Ų40.272%0.71922%0.222SC*.EExtended strand (participates in β ladder)trans-78.2138.8167.500000110.2
11T98.4Very high97.9Very high20 Ų2038.3 Ų38.312%0.12321%0.211CC..EExtended strand (participates in β ladder)trans-135.8164.5174.583.60000109.9I9 L13 G14 L16 F70I9-T11 HydrophobicContact CD1-CG2 4.19Å; I9-T11 HydrophobicContact CG1-CG2 3.98Å; T11-L13 PolarHBondContact O-N 3.26Å; T11-L13 PolarHBondContact OG1-N 2.87Å; T11-L13 VanDerWaalsContact OG1-N 3.11Å; T11-G14 WeakPolarHBondContact CB-O 3.39Å; T11-G14 PolarHBondContact N-O 2.95Å; T11-G14 PolarHBondContact O-N 3.31Å; T11-G14 VanDerWaalsContact O-N 3.1Å; T11-G14 PolarHBondContact OG1-N 3.09Å; T11-G14 PolarHBondContact OG1-O 3.19Å; T11-L16 HydrophobicContact CG2-CB 3.58Å; T11-L16 HydrophobicContact CG2-CD2 4.14Å; T11-L16 HydrophobicContact CG2-CG 4.5Å; T11-F70 HydrophobicContact CG2-CD2 3.9Å; T11-F70 HydrophobicContact CG2-CE2 3.4Å; T11-F70 VanDerWaalsContact CG2-CE2 3.4Å; T11-F70 HydrophobicContact CG2-CZ 3.84Å
12P97.7Very high98.2Very high87 Ų8735.1 Ų35.157%0.56520%0.195SC*.THydrogen-bonded Turntrans-57-18.3172.3-25.735.7000114.7F70 W161P12-F70 HydrophobicContact CG-CB 4.32Å; P12-F70 HydrophobicContact CG-CD1 4.33Å; P12-W161 HydrophobicContact CB-CH2 4.15Å; P12-W161 HydrophobicContact CB-CZ2 3.81Å; P12-W161 HydrophobicContact CG-CH2 4.3Å; P12-W161 HydrophobicContact CG-CZ2 4.35Å
13L96.9Very high98.3Very high26 Ų2638.6 Ų38.614%0.13621%0.21CC..THydrogen-bonded Turntrans-104.412.3-179-71.8-177.3000114.1T11 W31 R158 W161 L162T11-L13 PolarHBondContact O-N 3.26Å; T11-L13 PolarHBondContact OG1-N 2.87Å; T11-L13 VanDerWaalsContact OG1-N 3.11Å; L13-W31 HydrophobicContact CB-CH2 3.77Å; L13-W31 HydrophobicContact CB-CZ3 3.67Å; L13-W31 HydrophobicContact CD1-CH2 3.8Å; L13-W31 HydrophobicContact CD1-CZ2 4.24Å; L13-W31 HydrophobicContact CG-CH2 4.43Å; L13-R158 HydrophobicContact CB-CG 4.46Å; L13-R158 HydrophobicContact CD1-CB 4.17Å; L13-R158 HydrophobicContact CD1-CG 4.18Å; L13-R158 HydrophobicContact CD2-CG 4.32Å; L13-R158 PolarHBondContact O-NE 3.45Å; L13-R158 PolarHBondContact O-NH2 2.97Å; L13-W161 HydrophobicContact CD1-CB 4.23Å; L13-W161 HydrophobicContact CD1-CD2 3.85Å; L13-W161 HydrophobicContact CD1-CE3 3.42Å; L13-W161 VanDerWaalsContact CD1-CE3 3.42Å; L13-W161 HydrophobicContact CD1-CG 4.21Å; L13-W161 HydrophobicContact CD1-CZ3 4.1Å; L13-W161 HydrophobicContact CD2-CB 3.84Å; L13-W161 HydrophobicContact CD2-CD2 3.71Å; L13-W161 HydrophobicContact CD2-CE3 4.19Å; L13-W161 HydrophobicContact CD2-CG 3.54Å; L13-W161 HydrophobicContact CG-CD2 3.81Å; L13-W161 HydrophobicContact CG-CE3 3.78Å; L13-W161 HydrophobicContact CG-CG 4.16Å; L13-W161 HydrophobicContact CG-CZ3 4.31Å; L13-L162 HydrophobicContact CD1-CD2 4.06Å; L13-L162 HydrophobicContact CD1-CG 4.02Å
14G97.2Very high98.3Very high24 Ų2438.3 Ų38.325%0.24721%0.211CC..EExtended strand (participates in β ladder)trans101.6-176.6-175.400000113T11T11-G14 WeakPolarHBondContact CB-O 3.39Å; T11-G14 PolarHBondContact N-O 2.95Å; T11-G14 PolarHBondContact O-N 3.31Å; T11-G14 VanDerWaalsContact O-N 3.1Å; T11-G14 PolarHBondContact OG1-N 3.09Å; T11-G14 PolarHBondContact OG1-O 3.19Å
15P98.3Very high98.3Very high52 Ų5242.8 Ų42.834%0.33823%0.228SC..EExtended strand (participates in β ladder)trans-68.8139.4-176.8-16.630.9000112.5K8 I9 E32K8-P15 HydrophobicContact CD-CB 3.75Å; K8-P15 HydrophobicContact CG-CB 3.88Å; I9-P15 CarbonylContact O-C 3.09Å; I9-P15 WeakPolarHBondContact O-CA 3.39Å; P15-E32 HydrophobicContact CB-CB 3.88Å; P15-E32 HydrophobicContact CG-CB 4.35Å; P15-E32 PolarHBondContact O-N 3.43Å
16L98.6Very high98.3Very high0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-127127.4-177.4-175.276.5000110.1K8 I9 T11 V29 W31 L66 F70 I135K8-L16 CarbonylContact C-O 3.5Å; K8-L16 WeakPolarHBondContact CA-O 3.04Å; I9-L16 HydrophobicContact CD1-CD2 4.31Å; I9-L16 HydrophobicContact CG1-CB 4Å; I9-L16 PolarHBondContact N-O 3.43Å; I9-L16 PolarHBondContact O-N 2.93Å; T11-L16 HydrophobicContact CG2-CB 3.58Å; T11-L16 HydrophobicContact CG2-CD2 4.14Å; T11-L16 HydrophobicContact CG2-CG 4.5Å; L16-V29 HydrophobicContact CD1-CG1 3.92Å; L16-V29 HydrophobicContact CD2-CG1 3.84Å; L16-V29 HydrophobicContact CG-CG1 4.02Å; L16-W31 HydrophobicContact CB-CE3 4.3Å; L16-W31 HydrophobicContact CB-CZ3 4.28Å; L16-W31 HydrophobicContact CD1-CD2 3.75Å; L16-W31 HydrophobicContact CD1-CE3 3.52Å; L16-W31 HydrophobicContact CD1-CG 4.38Å; L16-W31 HydrophobicContact CD1-CH2 4.13Å; L16-W31 HydrophobicContact CD1-CZ2 4.31Å; L16-W31 HydrophobicContact CD1-CZ3 3.73Å; L16-W31 HydrophobicContact CG-CZ3 4.47Å; L16-L66 HydrophobicContact CD2-CD1 4.35Å; L16-F70 HydrophobicContact CD2-CE2 4.06Å; L16-F70 HydrophobicContact CD2-CZ 4.4Å; L16-I135 HydrophobicContact CD2-CD1 4.17Å
17W98.7Very high98.3Very high35 Ų3541.5 Ų41.513%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-78134.9170-73.399.8000111E6 K8 I19 V29 E30 E32 M38E6-W17 HydrophobicContact CB-CE3 4.25Å; E6-W17 HydrophobicContact CB-CZ3 4.26Å; E6-W17 HydrophobicContact CG-CE3 4.46Å; E6-W17 HydrophobicContact CG-CZ3 3.99Å; K8-W17 HydrophobicContact CB-CD2 4.07Å; K8-W17 HydrophobicContact CB-CE3 3.92Å; K8-W17 HydrophobicContact CB-CH2 4.08Å; K8-W17 HydrophobicContact CB-CZ2 4.2Å; K8-W17 HydrophobicContact CB-CZ3 3.93Å; K8-W17 HydrophobicContact CD-CD2 4.43Å; K8-W17 HydrophobicContact CD-CZ2 3.93Å; W17-I19 HydrophobicContact CB-CG1 4.38Å; W17-V29 VanDerWaalsContact O-CA 3.28Å; W17-V29 WeakPolarHBondContact O-CA 3.01Å; W17-E30 WeakPolarHBondContact CB-O 3.49Å; W17-E30 PolarHBondContact N-O 2.73Å; W17-E30 PolarHBondContact O-N 3.01Å; W17-E32 PolarHBondContact NE1-OE2 3.01Å; W17-M38 HydrophobicContact CB-CE 4.39Å; W17-M38 HydrophobicContact CB-SD 3.77Å; W17-M38 HydrophobicContact CD2-CE 4.36Å; W17-M38 HydrophobicContact CG-CE 4.02Å; W17-M38 HydrophobicContact CG-SD 4.03Å
18V98.8Very high98.3Very high0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-119.4112.2171.9-173.10000107E6 E7 I9 L26 L62 L66E6-V18 WeakPolarHBondContact CA-O 3.38Å; E7-V18 PolarHBondContact N-O 3.08Å; E7-V18 PolarHBondContact O-N 3.12Å; I9-V18 HydrophobicContact CD1-CG2 4.03Å; I9-V18 HydrophobicContact CG1-CG2 4.18Å; I9-V18 HydrophobicContact CG2-CG2 4.26Å; V18-L26 HydrophobicContact CG1-CD2 3.81Å; V18-L62 HydrophobicContact CG1-CB 4.03Å; V18-L66 HydrophobicContact CB-CD1 4.25Å; V18-L66 HydrophobicContact CG1-CD1 3.87Å; V18-L66 HydrophobicContact CG2-CD1 3.41Å; V18-L66 VanDerWaalsContact CG2-CD1 3.41Å
19I98.7Very high98.3Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-125.1123.7-175.6-53-169.1000109.9L4 L5 E6 W17 R27 A28 M38 L42L4-I19 HydrophobicContact CB-CG2 3.71Å; L4-I19 HydrophobicContact CD1-CG2 4.05Å; L4-I19 HydrophobicContact CD2-CG2 4.33Å; L4-I19 HydrophobicContact CG-CG2 4.26Å; L5-I19 WeakPolarHBondContact O-CA 3.19Å; E6-I19 HydrophobicContact CB-CD1 4.29Å; E6-I19 HydrophobicContact CB-CG1 3.86Å; W17-I19 HydrophobicContact CB-CG1 4.38Å; I19-R27 PolarHBondContact O-N 2.99Å; I19-A28 HydrophobicContact CB-CB 4.17Å; I19-A28 HydrophobicContact CD1-CB 4.49Å; I19-A28 PolarHBondContact N-O 3.41Å; I19-A28 PolarHBondContact O-N 3.44Å; I19-A28 VanDerWaalsContact O-N 3.13Å; I19-A28 VanDerWaalsContact O-O 3.11Å; I19-M38 HydrophobicContact CD1-CE 3.67Å; I19-M38 HydrophobicContact CD1-CG 4.4Å; I19-M38 HydrophobicContact CD1-SD 3.37Å; I19-M38 WeakPolarHBondContact CD1-SD 3.33Å; I19-M38 HydrophobicContact CG1-SD 4.24Å; I19-L42 HydrophobicContact CD1-CD1 4.29Å
20C98.8Very high98.3Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-132.3165.917873.70000112.5L4 L5 R25 L26 L62L4-C20 CarbonylContact C-O 3.57Å; L4-C20 VanDerWaalsContact CA-O 3.27Å; L4-C20 WeakPolarHBondContact CA-O 3.22Å; L5-C20 PolarHBondContact N-O 3.46Å; L5-C20 PolarHBondContact O-N 3.09Å; C20-R25 VanDerWaalsContact CA-O 3.24Å; C20-R25 WeakPolarHBondContact CA-O 3.44Å; C20-R25 VanDerWaalsContact CB-O 3.32Å; C20-R25 WeakPolarHBondContact CB-O 3.42Å; C20-L26 HydrophobicContact CB-CD2 4.45Å; C20-L62 HydrophobicContact CB-CD1 3.42Å; C20-L62 VanDerWaalsContact CB-CD1 3.42Å
21D98.5Very high98.3Very high0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-81.4177.8167.965.319.7000112.3L2 Q23 F24 R25 R27L2-D21 HydrophobicContact CD1-CB 3.92Å; D21-Q23 PolarHBondContact O-N 3.29Å; D21-Q23 VanDerWaalsContact OD1-C 3.25Å; D21-Q23 VanDerWaalsContact OD1-CA 3.31Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.34Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.49Å; D21-Q23 PolarHBondContact OD1-N 2.98Å; D21-F24 WeakPolarHBondContact O-CA 3.35Å; D21-F24 PolarHBondContact O-N 2.95Å; D21-F24 PolarHBondContact OD1-N 2.92Å; D21-F24 VanDerWaalsContact OD1-N 3.13Å; D21-R25 PolarHBondContact N-O 3.37Å; D21-R25 PolarHBondContact OD1-N 3.5Å; D21-R25 IonicContact OD1-NE 2.82Å; D21-R25 IonicContact OD2-CZ 3.82Å; D21-R25 VanDerWaalsContact OD2-CZ 3.3Å; D21-R25 IonicContact OD2-NE 3.83Å; D21-R25 PolarHBondContact OD2-NE 3.28Å; D21-R25 IonicContact OD2-NH2 3.04Å; D21-R25 PolarHBondContact OD2-NH2 3.35Å; D21-R27 HydrophobicContact CB-CG 4.19Å; D21-R27 IonicContact OD2-CZ 2.72Å; D21-R27 VanDerWaalsContact OD2-CZ 3.23Å; D21-R27 IonicContact OD2-NE 2.88Å; D21-R27 PolarHBondContact OD2-NE 3.22Å; D21-R27 IonicContact OD2-NH2 3.91Å; D21-R27 PolarHBondContact OD2-NH2 2.88Å
22E97.9Very high98.2Very high94 Ų9433.7 Ų33.744%0.43917%0.169SC..THydrogen-bonded Turntrans-66.8-9.2176.5-66.7-179126.200114.2R3 F24R3-E22 HydrophobicContact CB-CG 3.74Å; R3-E22 VanDerWaalsContact CD-OE1 3.23Å; R3-E22 WeakPolarHBondContact CD-OE1 3.46Å; R3-E22 IonicContact CZ-OE1 3.97Å; R3-E22 IonicContact NE-OE1 2.82Å; R3-E22 PolarHBondContact NE-OE1 3.16Å; E22-F24 VanDerWaalsContact C-N 3.3Å
23Q98.1Very high98.2Very high115 Ų11534.6 Ų34.654%0.53717%0.166SC..THydrogen-bonded Turntrans-96.213169.3-64.378.755.800111.6D21 R25D21-Q23 PolarHBondContact O-N 3.29Å; D21-Q23 VanDerWaalsContact OD1-C 3.25Å; D21-Q23 VanDerWaalsContact OD1-CA 3.31Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.34Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.49Å; D21-Q23 PolarHBondContact OD1-N 2.98Å; Q23-R25 HydrophobicContact CB-CG 4.4Å; Q23-R25 PolarHBondContact O-N 3.17Å
24F98.3Very high98.1Very high92 Ų9237.3 Ų37.340%0.40418%0.175SC..  trans57.129.8-179.8-48.9-59.6000114L5 D21 E22 G60 L62 P81L5-F24 HydrophobicContact CD1-CD1 4.31Å; L5-F24 HydrophobicContact CD1-CE1 3.85Å; D21-F24 WeakPolarHBondContact O-CA 3.35Å; D21-F24 PolarHBondContact O-N 2.95Å; D21-F24 PolarHBondContact OD1-N 2.92Å; D21-F24 VanDerWaalsContact OD1-N 3.13Å; E22-F24 VanDerWaalsContact C-N 3.3Å; F24-G60 VanDerWaalsContact CD1-CA 3.47Å; F24-L62 HydrophobicContact CB-CD1 4.37Å; F24-P81 VanDerWaalsContact O-CG 3.29Å; F24-P81 WeakPolarHBondContact O-CG 3.31Å
25R98.5Very high98.1Very high94 Ų9438 Ų3836%0.35518%0.175SC..  trans-91125.9170.9-56.1175.2-65.9-166.2-10.8108.5C20 D21 Q23 R27 P81 A83C20-R25 VanDerWaalsContact CA-O 3.24Å; C20-R25 WeakPolarHBondContact CA-O 3.44Å; C20-R25 VanDerWaalsContact CB-O 3.32Å; C20-R25 WeakPolarHBondContact CB-O 3.42Å; D21-R25 PolarHBondContact N-O 3.37Å; D21-R25 PolarHBondContact OD1-N 3.5Å; D21-R25 IonicContact OD1-NE 2.82Å; D21-R25 IonicContact OD2-CZ 3.82Å; D21-R25 VanDerWaalsContact OD2-CZ 3.3Å; D21-R25 IonicContact OD2-NE 3.83Å; D21-R25 PolarHBondContact OD2-NE 3.28Å; D21-R25 IonicContact OD2-NH2 3.04Å; D21-R25 PolarHBondContact OD2-NH2 3.35Å; Q23-R25 HydrophobicContact CB-CG 4.4Å; Q23-R25 PolarHBondContact O-N 3.17Å; R25-R27 PolarHBondContact O-N 2.97Å; R25-P81 HydrophobicContact CG-CB 4.25Å; R25-A83 HydrophobicContact CB-CB 3.8Å; R25-A83 HydrophobicContact CG-CB 4.48Å
26L98.7Very high98Very high0 Ų042.8 Ų42.80%019%0.193CC..EExtended strand (participates in β ladder)trans-59.5132.7178-71168.9000110.7V18 C20 V29 L62 L80 P81 T82 A83 I133 V136V18-L26 HydrophobicContact CG1-CD2 3.81Å; C20-L26 HydrophobicContact CB-CD2 4.45Å; L26-V29 HydrophobicContact CD1-CG2 4.11Å; L26-V29 HydrophobicContact CD2-CG2 3.85Å; L26-V29 HydrophobicContact CG-CG2 4.48Å; L26-L62 HydrophobicContact CD2-CB 4.48Å; L26-L62 HydrophobicContact CD2-CD1 3.86Å; L26-L62 HydrophobicContact CG-CD1 4.22Å; L26-L62 HydrophobicContact CG-CD2 4.41Å; L26-L80 HydrophobicContact CD1-CB 3.92Å; L26-L80 HydrophobicContact CD1-CD1 4.16Å; L26-P81 WeakPolarHBondContact CB-O 3.43Å; L26-P81 PolarHBondContact N-O 3.5Å; L26-T82 HydrophobicContact CB-CG2 4.24Å; L26-A83 PolarHBondContact O-N 2.87Å; L26-I133 HydrophobicContact CB-CD1 4.11Å; L26-I133 HydrophobicContact CB-CG2 4.04Å; L26-I133 HydrophobicContact CD1-CG2 4.18Å; L26-I133 VanDerWaalsContact O-CD1 3.23Å; L26-I133 WeakPolarHBondContact O-CD1 3.37Å; L26-V136 HydrophobicContact CD1-CB 4.18Å; L26-V136 HydrophobicContact CD1-CG1 3.97Å; L26-V136 HydrophobicContact CD1-CG2 3.77Å
27R98.3Very high97.9Very high27 Ų2744.9 Ų44.910%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-113.6-34.2179.8-62.6-71.9169.1179.911.2110.6L4 I19 D21 R25 Y46 A83L4-R27 HydrophobicContact CD2-CB 3.91Å; L4-R27 HydrophobicContact CD2-CG 3.64Å; I19-R27 PolarHBondContact O-N 2.99Å; D21-R27 HydrophobicContact CB-CG 4.19Å; D21-R27 IonicContact OD2-CZ 2.72Å; D21-R27 VanDerWaalsContact OD2-CZ 3.23Å; D21-R27 IonicContact OD2-NE 2.88Å; D21-R27 PolarHBondContact OD2-NE 3.22Å; D21-R27 IonicContact OD2-NH2 3.91Å; D21-R27 PolarHBondContact OD2-NH2 2.88Å; R25-R27 PolarHBondContact O-N 2.97Å; R27-Y46 HydrophobicContact CB-CE2 4.46Å; R27-Y46 WeakPolarHBondContact CD-OH 3.34Å; R27-Y46 PolarHBondContact NH1-OH 3.28Å; R27-A83 WeakPolarHBondContact CD-O 3.46Å; R27-A83 PolarHBondContact NE-O 3.35Å; R27-A83 VanDerWaalsContact NH1-C 3.32Å; R27-A83 PolarHBondContact NH1-O 3.46Å
28A98.5Very high97.8Very high1 Ų143.4 Ų43.41%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-150149.9168.100000111.7I19 M38 L42 P132I19-A28 HydrophobicContact CB-CB 4.17Å; I19-A28 HydrophobicContact CD1-CB 4.49Å; I19-A28 PolarHBondContact N-O 3.41Å; I19-A28 PolarHBondContact O-N 3.44Å; I19-A28 VanDerWaalsContact O-N 3.13Å; I19-A28 VanDerWaalsContact O-O 3.11Å; A28-M38 HydrophobicContact CB-CG 3.98Å; A28-M38 HydrophobicContact CB-SD 4.37Å; A28-L42 HydrophobicContact CB-CD2 4.16Å; A28-P132 CarbonylContact C-O 3.57Å; A28-P132 WeakPolarHBondContact CA-O 3.35Å
29V98.5Very high97.8Very high0 Ų045.5 Ų45.50%021%0.208CC..EExtended strand (participates in β ladder)trans-138.6114.9165174.10000105.5L16 W17 L26 L66 P132 I133 S134 V136L16-V29 HydrophobicContact CD1-CG1 3.92Å; L16-V29 HydrophobicContact CD2-CG1 3.84Å; L16-V29 HydrophobicContact CG-CG1 4.02Å; W17-V29 VanDerWaalsContact O-CA 3.28Å; W17-V29 WeakPolarHBondContact O-CA 3.01Å; L26-V29 HydrophobicContact CD1-CG2 4.11Å; L26-V29 HydrophobicContact CD2-CG2 3.85Å; L26-V29 HydrophobicContact CG-CG2 4.48Å; V29-L66 HydrophobicContact CG1-CD1 4.34Å; V29-L66 HydrophobicContact CG2-CD1 4.28Å; V29-P132 PolarHBondContact N-O 2.82Å; V29-I133 HydrophobicContact CB-CG2 4.06Å; V29-I133 HydrophobicContact CG2-CG2 3.73Å; V29-S134 WeakPolarHBondContact CB-O 3.28Å; V29-S134 WeakPolarHBondContact CG1-O 3.45Å; V29-S134 WeakPolarHBondContact O-CB 3.38Å; V29-S134 PolarHBondContact O-N 2.54Å; V29-S134 PolarHBondContact O-OG 2.82Å; V29-V136 HydrophobicContact CG2-CG2 4.45Å
30E98.1Very high97.7Very high1 Ų151 Ų511%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-148.4148-172.8-172.561.5-72.100112.6W17 R37 M38W17-E30 WeakPolarHBondContact CB-O 3.49Å; W17-E30 PolarHBondContact N-O 2.73Å; W17-E30 PolarHBondContact O-N 3.01Å; E30-R37 IonicContact OE2-CZ 3.48Å; E30-R37 IonicContact OE2-NH1 3.99Å; E30-R37 PolarHBondContact OE2-NH1 3.38Å; E30-M38 HydrophobicContact CB-CB 3.92Å; E30-M38 HydrophobicContact CB-CG 4.01Å; E30-M38 HydrophobicContact CB-SD 3.95Å; E30-M38 HydrophobicContact CG-CB 3.9Å
31W97.9Very high97.7Very high0 Ų051.7 Ų51.70%024%0.238CC..EExtended strand (participates in β ladder)trans-68141.2175.4-53.2103.4000111.5L13 L16 E33 Y34 S35 F70 I135 Y152 G154 L162L13-W31 HydrophobicContact CB-CH2 3.77Å; L13-W31 HydrophobicContact CB-CZ3 3.67Å; L13-W31 HydrophobicContact CD1-CH2 3.8Å; L13-W31 HydrophobicContact CD1-CZ2 4.24Å; L13-W31 HydrophobicContact CG-CH2 4.43Å; L16-W31 HydrophobicContact CB-CE3 4.3Å; L16-W31 HydrophobicContact CB-CZ3 4.28Å; L16-W31 HydrophobicContact CD1-CD2 3.75Å; L16-W31 HydrophobicContact CD1-CE3 3.52Å; L16-W31 HydrophobicContact CD1-CG 4.38Å; L16-W31 HydrophobicContact CD1-CH2 4.13Å; L16-W31 HydrophobicContact CD1-CZ2 4.31Å; L16-W31 HydrophobicContact CD1-CZ3 3.73Å; L16-W31 HydrophobicContact CG-CZ3 4.47Å; W31-E33 PolarHBondContact O-N 2.91Å; W31-Y34 HydrophobicContact CB-CD2 4.02Å; W31-Y34 CarbonylContact O-C 3.51Å; W31-Y34 WeakPolarHBondContact O-CA 3.34Å; W31-Y34 PolarHBondContact O-N 3.09Å; W31-S35 PolarHBondContact O-N 2.82Å; W31-F70 HydrophobicContact CH2-CE1 4.35Å; W31-F70 AromaticContact CH2-CZ 3.9Å; W31-F70 HydrophobicContact CH2-CZ 3.9Å; W31-F70 HydrophobicContact CZ3-CZ 4.39Å; W31-I135 HydrophobicContact CH2-CD1 3.89Å; W31-I135 HydrophobicContact CZ2-CD1 3.88Å; W31-I135 HydrophobicContact CZ2-CG1 4.35Å; W31-Y152 AromaticContact NE1-CE1 3.61Å; W31-Y152 AromaticContact NE1-CZ 3.7Å; W31-Y152 PolarHBondContact NE1-OH 2.89Å; W31-G154 VanDerWaalsContact CD1-CA 3.4Å; W31-L162 HydrophobicContact CZ2-CD1 4.28Å
32E97.7Very high97.7Very high60 Ų6051.7 Ų51.728%0.2824%0.238SC..G310 helixtrans-52.6-41.3179.8170.769.7174.600113K8 P15 W17 Y34 S35K8-E32 HydrophobicContact CD-CB 4.35Å; K8-E32 HydrophobicContact CD-CG 4.44Å; K8-E32 WeakPolarHBondContact CD-OE2 3.49Å; K8-E32 IonicContact NZ-OE1 2.61Å; K8-E32 PolarHBondContact NZ-OE1 3.39Å; K8-E32 IonicContact NZ-OE2 3.7Å; K8-E32 PolarHBondContact NZ-OE2 3.41Å; P15-E32 HydrophobicContact CB-CB 3.88Å; P15-E32 HydrophobicContact CG-CB 4.35Å; P15-E32 PolarHBondContact O-N 3.43Å; W17-E32 PolarHBondContact NE1-OE2 3.01Å; E32-Y34 PolarHBondContact O-N 2.97Å; E32-Y34 VanDerWaalsContact O-N 3.09Å; E32-S35 VanDerWaalsContact O-CB 3.27Å; E32-S35 WeakPolarHBondContact O-CB 3.37Å; E32-S35 PolarHBondContact O-N 2.91Å; E32-S35 PolarHBondContact O-OG 3.24Å
33E96.4Very high97.6Very high106 Ų10649.3 Ų49.350%0.49523%0.228SC..G310 helixtrans-65.9-13.3-179.5-57.691154.500113.2W31 R158W31-E33 PolarHBondContact O-N 2.91Å; E33-R158 IonicContact OE1-CZ 3.94Å; E33-R158 IonicContact OE1-NH2 3.59Å; E33-R158 PolarHBondContact OE1-NH2 2.7Å; E33-R158 IonicContact OE2-CZ 3.32Å; E33-R158 IonicContact OE2-NH1 2.83Å; E33-R158 IonicContact OE2-NH2 3.96Å; E33-R158 PolarHBondContact OE2-NH2 2.65Å
34Y95.7Very high97.6Very high82 Ų8249.9 Ų49.932%0.32223%0.234SC..G310 helixtrans-118.422.1177.6-61-83.6000111.8W31 E32 E36 R37 M38 A153W31-Y34 HydrophobicContact CB-CD2 4.02Å; W31-Y34 CarbonylContact O-C 3.51Å; W31-Y34 WeakPolarHBondContact O-CA 3.34Å; W31-Y34 PolarHBondContact O-N 3.09Å; E32-Y34 PolarHBondContact O-N 2.97Å; E32-Y34 VanDerWaalsContact O-N 3.09Å; Y34-E36 PolarHBondContact O-N 3.31Å; Y34-R37 WeakPolarHBondContact O-CB 3.44Å; Y34-R37 PolarHBondContact O-N 3.01Å; Y34-M38 PolarHBondContact O-N 3.36Å; Y34-A153 WeakPolarHBondContact CD1-O 3.31Å; Y34-A153 WeakPolarHBondContact CE1-O 3.14Å; Y34-A153 WeakPolarHBondContact CE2-O 3.18Å
35S96.5Very high97.5Very high38 Ų3846.8 Ų46.827%0.26622%0.22SC..Hα-helixtrans-60.4-29.6178.556.60000113.6W31 E32 M38 V39W31-S35 PolarHBondContact O-N 2.82Å; E32-S35 VanDerWaalsContact O-CB 3.27Å; E32-S35 WeakPolarHBondContact O-CB 3.37Å; E32-S35 PolarHBondContact O-N 2.91Å; E32-S35 PolarHBondContact O-OG 3.24Å; S35-M38 VanDerWaalsContact O-CB 3.28Å; S35-M38 WeakPolarHBondContact O-CB 3.5Å; S35-M38 PolarHBondContact O-N 3.28Å; S35-V39 WeakPolarHBondContact O-CG2 3.46Å; S35-V39 PolarHBondContact O-N 3.38Å
36E97.2Very high97.4Very high153 Ų15344 Ų4472%0.71521%0.21SC*.Hα-helixtrans-63.6-43.8172-66.3-173.6171.800111.8Y34 M38 V39 Q40Y34-E36 PolarHBondContact O-N 3.31Å; E36-M38 VanDerWaalsContact C-N 3.3Å; E36-M38 PolarHBondContact O-N 3.4Å; E36-V39 PolarHBondContact O-N 2.88Å; E36-Q40 VanDerWaalsContact O-CG 3.32Å; E36-Q40 WeakPolarHBondContact O-CG 3.47Å; E36-Q40 PolarHBondContact O-N 3.47Å
37R96.4Very high97.3Very high45 Ų4553.4 Ų53.417%0.1725%0.246CC..Hα-helixtrans-61.5-40.7173.9178.2-172.2173.2-84.7-2.6110.7E30 Y34 V39 Q40 L41 G129 N131E30-R37 IonicContact OE2-CZ 3.48Å; E30-R37 IonicContact OE2-NH1 3.99Å; E30-R37 PolarHBondContact OE2-NH1 3.38Å; Y34-R37 WeakPolarHBondContact O-CB 3.44Å; Y34-R37 PolarHBondContact O-N 3.01Å; R37-V39 PolarHBondContact O-N 3.47Å; R37-Q40 PolarHBondContact O-N 3.28Å; R37-L41 HydrophobicContact CG-CD1 4.36Å; R37-L41 WeakPolarHBondContact O-CG 3.35Å; R37-L41 PolarHBondContact O-N 3.35Å; R37-G129 PolarHBondContact NH2-O 3.13Å; R37-N131 PolarHBondContact NH1-O 3.32Å; R37-N131 PolarHBondContact NH2-O 3Å
38M97.2Very high97.1Very high4 Ų459.1 Ų59.12%0.0227%0.271CS..Hα-helixtrans-55.3-51.8174.8-175.2-178.966.800111.2W17 I19 A28 E30 Y34 S35 E36 Q40 L41 L42W17-M38 HydrophobicContact CB-CE 4.39Å; W17-M38 HydrophobicContact CB-SD 3.77Å; W17-M38 HydrophobicContact CD2-CE 4.36Å; W17-M38 HydrophobicContact CG-CE 4.02Å; W17-M38 HydrophobicContact CG-SD 4.03Å; I19-M38 HydrophobicContact CD1-CE 3.67Å; I19-M38 HydrophobicContact CD1-CG 4.4Å; I19-M38 HydrophobicContact CD1-SD 3.37Å; I19-M38 WeakPolarHBondContact CD1-SD 3.33Å; I19-M38 HydrophobicContact CG1-SD 4.24Å; A28-M38 HydrophobicContact CB-CG 3.98Å; A28-M38 HydrophobicContact CB-SD 4.37Å; E30-M38 HydrophobicContact CB-CB 3.92Å; E30-M38 HydrophobicContact CB-CG 4.01Å; E30-M38 HydrophobicContact CB-SD 3.95Å; E30-M38 HydrophobicContact CG-CB 3.9Å; Y34-M38 PolarHBondContact O-N 3.36Å; S35-M38 VanDerWaalsContact O-CB 3.28Å; S35-M38 WeakPolarHBondContact O-CB 3.5Å; S35-M38 PolarHBondContact O-N 3.28Å; E36-M38 VanDerWaalsContact C-N 3.3Å; E36-M38 PolarHBondContact O-N 3.4Å; M38-Q40 VanDerWaalsContact C-N 3.35Å; M38-Q40 PolarHBondContact O-N 2.64Å; M38-L41 PolarHBondContact O-N 3.26Å; M38-L42 HydrophobicContact CG-CD1 4.29Å; M38-L42 WeakPolarHBondContact O-CG 3.45Å; M38-L42 PolarHBondContact O-N 3.47Å
39V97.8Very high97Very high43 Ų4366 Ų6626%0.26130%0.303SS..Hα-helixtrans-61.2-43.9179.7174.10000110.8S35 E36 R37 L41 L42 D43S35-V39 WeakPolarHBondContact O-CG2 3.46Å; S35-V39 PolarHBondContact O-N 3.38Å; E36-V39 PolarHBondContact O-N 2.88Å; R37-V39 PolarHBondContact O-N 3.47Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 3.49Å; V39-L42 PolarHBondContact O-N 3.36Å; V39-D43 WeakPolarHBondContact O-CB 3.48Å; V39-D43 PolarHBondContact O-N 2.7Å
40Q97.8Very high96.9Very high116 Ų11667.3 Ų67.354%0.54232%0.316SS..Hα-helixtrans-57.2-43.7175.6-70.8169.54.400112.4E36 R37 M38 D43 I44E36-Q40 VanDerWaalsContact O-CG 3.32Å; E36-Q40 WeakPolarHBondContact O-CG 3.47Å; E36-Q40 PolarHBondContact O-N 3.47Å; R37-Q40 PolarHBondContact O-N 3.28Å; M38-Q40 VanDerWaalsContact C-N 3.35Å; M38-Q40 PolarHBondContact O-N 2.64Å; Q40-D43 PolarHBondContact O-N 3.12Å; Q40-I44 WeakPolarHBondContact O-CD1 3.44Å; Q40-I44 VanDerWaalsContact O-CG1 3.24Å; Q40-I44 WeakPolarHBondContact O-CG1 3.25Å; Q40-I44 PolarHBondContact O-N 2.85Å
41L97.6Very high96.8Very high14 Ų1468.5 Ų68.57%0.07332%0.321CS..Hα-helixtrans-68.7-38.1177.5-70.6177.6000112.5R37 M38 V39 D43 I44 H45 P132R37-L41 HydrophobicContact CG-CD1 4.36Å; R37-L41 WeakPolarHBondContact O-CG 3.35Å; R37-L41 PolarHBondContact O-N 3.35Å; M38-L41 PolarHBondContact O-N 3.26Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 3.49Å; L41-D43 VanDerWaalsContact C-N 3.35Å; L41-I44 PolarHBondContact O-N 2.87Å; L41-H45 WeakPolarHBondContact O-CB 3.42Å; L41-H45 PolarHBondContact O-N 2.82Å; L41-H45 PolarHBondContact O-ND1 2.91Å; L41-P132 HydrophobicContact CB-CB 4.31Å; L41-P132 HydrophobicContact CD1-CB 4.04Å
42L97.8Very high96.9Very high0 Ų071.9 Ų71.90%034%0.337CS..Hα-helixtrans-62.2-43.9173.8-68.9176.2000110.9L4 I19 A28 M38 V39 I44 H45 Y46 Y51L4-L42 HydrophobicContact CD1-CD1 4.11Å; L4-L42 HydrophobicContact CD1-CD2 3.96Å; I19-L42 HydrophobicContact CD1-CD1 4.29Å; A28-L42 HydrophobicContact CB-CD2 4.16Å; M38-L42 HydrophobicContact CG-CD1 4.29Å; M38-L42 WeakPolarHBondContact O-CG 3.45Å; M38-L42 PolarHBondContact O-N 3.47Å; V39-L42 PolarHBondContact O-N 3.36Å; L42-I44 PolarHBondContact O-N 2.93Å; L42-H45 PolarHBondContact O-N 3.11Å; L42-Y46 HydrophobicContact CB-CD2 4.45Å; L42-Y46 HydrophobicContact CD2-CD2 3.94Å; L42-Y46 HydrophobicContact CD2-CE2 3.71Å; L42-Y46 WeakPolarHBondContact O-CB 3.49Å; L42-Y46 WeakPolarHBondContact O-CD2 3.41Å; L42-Y46 PolarHBondContact O-N 3.09Å; L42-Y51 HydrophobicContact CB-CE1 3.9Å; L42-Y51 HydrophobicContact CB-CE2 4.28Å; L42-Y51 HydrophobicContact CD1-CE2 4.16Å
43D97.7Very high96.9Very high45 Ų4573.2 Ų73.224%0.24134%0.339CS..Hα-helixtrans-62.8-42.1177.2-71.8-3.3000111.7V39 Q40 L41 H45 R47 Y51V39-D43 WeakPolarHBondContact O-CB 3.48Å; V39-D43 PolarHBondContact O-N 2.7Å; Q40-D43 PolarHBondContact O-N 3.12Å; L41-D43 VanDerWaalsContact C-N 3.35Å; D43-H45 VanDerWaalsContact C-N 3.32Å; D43-H45 PolarHBondContact O-N 2.86Å; D43-R47 WeakPolarHBondContact O-CA 3.27Å; D43-R47 PolarHBondContact O-N 3.05Å; D43-Y51 VanDerWaalsContact OD1-CE1 3.27Å; D43-Y51 WeakPolarHBondContact OD1-CE1 3.31Å; D43-Y51 PolarHBondContact OD1-OH 3.19Å
44I97.2Very high97Very high127 Ų12770.2 Ų70.265%0.65133%0.326SS*.Hα-helixtrans-62.7-40.1175.2-70.9163.8000111.2Q40 L41 L42Q40-I44 WeakPolarHBondContact O-CD1 3.44Å; Q40-I44 VanDerWaalsContact O-CG1 3.24Å; Q40-I44 WeakPolarHBondContact O-CG1 3.25Å; Q40-I44 PolarHBondContact O-N 2.85Å; L41-I44 PolarHBondContact O-N 2.87Å; L42-I44 PolarHBondContact O-N 2.93Å
45H96.8Very high97.1Very high26 Ų2671.5 Ų71.512%0.1235%0.347CS..Hα-helixtrans-81.5-35.4-174.3-70.6164.2000113.8L41 L42 D43 G86 W94L41-H45 WeakPolarHBondContact O-CB 3.42Å; L41-H45 PolarHBondContact O-N 2.82Å; L41-H45 PolarHBondContact O-ND1 2.91Å; L42-H45 PolarHBondContact O-N 3.11Å; D43-H45 VanDerWaalsContact C-N 3.32Å; D43-H45 PolarHBondContact O-N 2.86Å; H45-G86 PolarHBondContact CD2-N 3.27Å; H45-G86 VanDerWaalsContact CD2-N 3.33Å; H45-W94 AromaticContact CE1-CH2 3.81Å; H45-W94 AromaticContact NE2-CH2 3.78Å
46Y96.4Very high97.2Very high36 Ų3670.8 Ų70.814%0.14134%0.343CS..Hα-helixtrans-125.2-4.8-167.3-52.2-58.4000113.5L2 R27 L42 G50 A83 G85L2-Y46 HydrophobicContact CD2-CD1 3.9Å; L2-Y46 HydrophobicContact CD2-CD2 4.31Å; L2-Y46 HydrophobicContact CD2-CE1 4.08Å; L2-Y46 HydrophobicContact CD2-CE2 4.47Å; L2-Y46 HydrophobicContact CD2-CG 4.04Å; R27-Y46 HydrophobicContact CB-CE2 4.46Å; R27-Y46 WeakPolarHBondContact CD-OH 3.34Å; R27-Y46 PolarHBondContact NH1-OH 3.28Å; L42-Y46 HydrophobicContact CB-CD2 4.45Å; L42-Y46 HydrophobicContact CD2-CD2 3.94Å; L42-Y46 HydrophobicContact CD2-CE2 3.71Å; L42-Y46 WeakPolarHBondContact O-CB 3.49Å; L42-Y46 WeakPolarHBondContact O-CD2 3.41Å; L42-Y46 PolarHBondContact O-N 3.09Å; Y46-G50 WeakPolarHBondContact O-CA 3.44Å; Y46-A83 PolarHBondContact OH-O 3.25Å; Y46-G85 PolarHBondContact OH-N 2.9Å
47R95.9Very high97.2Very high198 Ų19869.7 Ų69.775%0.74735%0.347SS*.  trans66.4144.3-168.6-48.8173.8-177.2176.4-0.7111.1D43 E49 G50 Y51D43-R47 WeakPolarHBondContact O-CA 3.27Å; D43-R47 PolarHBondContact O-N 3.05Å; R47-E49 PolarHBondContact O-N 2.77Å; R47-G50 PolarHBondContact O-N 2.75Å; R47-Y51 VanDerWaalsContact O-CD1 3.29Å; R47-Y51 WeakPolarHBondContact O-CD1 3.47Å
48K94.6Very high97.3Very high146 Ų14669.6 Ų69.664%0.63535%0.35SS*.THydrogen-bonded Turntrans-56-36.8-175.5-174.5176.6-178.6178.30113.2
49E95.5Very high97.4Very high147 Ų14769.7 Ų69.769%0.68735%0.351SS*.THydrogen-bonded Turntrans-91.7-2.9178.9-53.673.8-160.400113R47R47-E49 PolarHBondContact O-N 2.77Å
50G96.5Very high97.4Very high26 Ų2669.5 Ų69.527%0.26836%0.358SS..SBendtrans-85.5-10.8-175.700000114.1L2 Y46 R47L2-G50 PolarHBondContact N-O 3.05Å; Y46-G50 WeakPolarHBondContact O-CA 3.44Å; R47-G50 PolarHBondContact O-N 2.75Å
51Y97.6Very high97.4Very high26 Ų2665.1 Ų65.110%0.10234%0.344CS..EExtended strand (participates in β ladder)trans-138.2157.2178.971.6-85.6000113.2L2 L4 L42 D43 R47 R53L2-Y51 CarbonylContact O-C 3.54Å; L2-Y51 WeakPolarHBondContact O-CA 3.49Å; L2-Y51 WeakPolarHBondContact O-CB 3.34Å; L4-Y51 HydrophobicContact CD1-CD2 3.5Å; L4-Y51 VanDerWaalsContact CD1-CD2 3.5Å; L4-Y51 HydrophobicContact CD1-CE2 4.15Å; L4-Y51 HydrophobicContact CD1-CG 3.9Å; L4-Y51 HydrophobicContact CG-CD2 4.26Å; L42-Y51 HydrophobicContact CB-CE1 3.9Å; L42-Y51 HydrophobicContact CB-CE2 4.28Å; L42-Y51 HydrophobicContact CD1-CE2 4.16Å; D43-Y51 VanDerWaalsContact OD1-CE1 3.27Å; D43-Y51 WeakPolarHBondContact OD1-CE1 3.31Å; D43-Y51 PolarHBondContact OD1-OH 3.19Å; R47-Y51 VanDerWaalsContact O-CD1 3.29Å; R47-Y51 WeakPolarHBondContact O-CD1 3.47Å; Y51-R53 HydrophobicContact CD2-CG 4Å; Y51-R53 HydrophobicContact CE2-CG 3.8Å
52E98Very high97.4Very high72 Ų7264.6 Ų64.634%0.33634%0.341SS..EExtended strand (participates in β ladder)trans-122.8147.5165.860.9176.115700109.7M1 L2 R3 L4 I54M1-E52 HydrophobicContact CG-CG 4.3Å; M1-E52 HydrophobicContact SD-CB 3.82Å; M1-E52 HydrophobicContact SD-CG 3.85Å; L2-E52 PolarHBondContact O-N 3.1Å; R3-E52 HydrophobicContact CG-CG 3.85Å; R3-E52 WeakPolarHBondContact CG-OE1 3.47Å; R3-E52 IonicContact CZ-OE1 3.11Å; R3-E52 IonicContact NE-OE1 3.79Å; R3-E52 IonicContact NH1-OE1 2.71Å; R3-E52 PolarHBondContact NH1-OE1 3.19Å; L4-E52 WeakPolarHBondContact CB-O 3.49Å; L4-E52 PolarHBondContact N-O 3.01Å; E52-I54 HydrophobicContact CG-CD1 4.13Å; E52-I54 HydrophobicContact CG-CG1 4.23Å
53R98Very high97.5Very high87 Ų8764.6 Ų64.633%0.32834%0.341SS..EExtended strand (participates in β ladder)trans-105.1126.9178.1-67.1169.562.9-166.7-4.5109.2L4 E6 Y51L4-R53 HydrophobicContact CB-CG 4.45Å; L4-R53 CarbonylContact O-C 3.6Å; L4-R53 WeakPolarHBondContact O-CA 3.48Å; E6-R53 VanDerWaalsContact CD-NH2 3.34Å; E6-R53 IonicContact OE1-CZ 3.3Å; E6-R53 IonicContact OE1-NE 2.65Å; E6-R53 IonicContact OE1-NH2 3.69Å; E6-R53 PolarHBondContact OE1-NH2 3.33Å; E6-R53 IonicContact OE2-CZ 2.92Å; E6-R53 IonicContact OE2-NE 3.23Å; E6-R53 PolarHBondContact OE2-NE 3.34Å; E6-R53 IonicContact OE2-NH2 2.86Å; E6-R53 PolarHBondContact OE2-NH2 2.88Å; Y51-R53 HydrophobicContact CD2-CG 4Å; Y51-R53 HydrophobicContact CE2-CG 3.8Å
54I98.4Very high97.5Very high43 Ų4365.7 Ų65.722%0.22135%0.347CS..EExtended strand (participates in β ladder)trans-126.7121.7-171.8-56.1174.3000108.1R3 L4 L5 E6 E52 A56R3-I54 HydrophobicContact CB-CD1 4.01Å; R3-I54 HydrophobicContact CG-CD1 3.94Å; L4-I54 PolarHBondContact O-N 3.5Å; L5-I54 CarbonylContact C-O 3.58Å; L5-I54 WeakPolarHBondContact CA-O 3.31Å; L5-I54 HydrophobicContact CD2-CB 4.31Å; L5-I54 HydrophobicContact CD2-CG2 4.43Å; E6-I54 PolarHBondContact N-O 3.41Å; E52-I54 HydrophobicContact CG-CD1 4.13Å; E52-I54 HydrophobicContact CG-CG1 4.23Å; I54-A56 PolarHBondContact O-N 3.49Å
55S98.5Very high97.6Very high110 Ų11062.7 Ų62.777%0.76933%0.329SS*.EExtended strand (participates in β ladder)trans-59.3131.9174.6-174.10000110.7
56A98.3Very high97.7Very high22 Ų2261.5 Ų61.518%0.18232%0.323CS..  trans-140.6161.3178.600000110.5L5 E6 E7 I54 P59L5-A56 HydrophobicContact CB-CB 3.95Å; E6-A56 PolarHBondContact O-N 2.87Å; E7-A56 WeakPolarHBondContact CB-O 3.5Å; I54-A56 PolarHBondContact O-N 3.49Å; A56-P59 HydrophobicContact CB-CB 4.16Å; A56-P59 HydrophobicContact CB-CG 4.4Å
57T98.3Very high97.8Very high130 Ų13064.1 Ų64.180%0.79833%0.333SS*.SBendtrans-114.5120.1172.8-55.50000108.7
58N98.4Very high97.9Very high43 Ų4358.5 Ų58.523%0.2332%0.315CS..SBendtrans47.155-179.4-165.927.9000113.8E7 G60 G61 S63 D64E7-N58 WeakPolarHBondContact OE2-CA 3.44Å; E7-N58 PolarHBondContact OE2-N 3Å; N58-G60 PolarHBondContact O-N 3.14Å; N58-G61 PolarHBondContact O-N 2.85Å; N58-G61 WeakPolarHBondContact OD1-CA 3.5Å; N58-S63 WeakPolarHBondContact OD1-CB 3.27Å; N58-S63 PolarHBondContact OD1-N 3.48Å; N58-D64 VanDerWaalsContact ND2-CG 3.34Å; N58-D64 PolarHBondContact ND2-OD2 3.31Å; N58-D64 PolarHBondContact OD1-N 3.41Å; N58-D64 VanDerWaalsContact OD1-N 3.13Å
59P98.3Very high98.1Very high7 Ų751.6 Ų51.65%0.04529%0.285CS..G310 helixtrans-59116.7-173.527-35.3000110.3L5 A56 G61 L62L5-P59 HydrophobicContact CB-CB 3.83Å; L5-P59 HydrophobicContact CB-CG 4.41Å; L5-P59 HydrophobicContact CD1-CB 4.06Å; A56-P59 HydrophobicContact CB-CB 4.16Å; A56-P59 HydrophobicContact CB-CG 4.4Å; P59-G61 PolarHBondContact O-N 3.32Å; P59-L62 WeakPolarHBondContact O-CB 3.25Å; P59-L62 WeakPolarHBondContact O-CD1 3.3Å; P59-L62 WeakPolarHBondContact O-CG 3.48Å; P59-L62 PolarHBondContact O-N 2.83Å; P59-L62 VanDerWaalsContact O-N 3.15Å
60G97.5Very high98.3Very high39 Ų3945.5 Ų45.540%0.40226%0.257SS..G310 helixtrans63.116.9-178.500000115.6F24 N58 L62F24-G60 VanDerWaalsContact CD1-CA 3.47Å; N58-G60 PolarHBondContact O-N 3.14Å; G60-L62 PolarHBondContact O-N 3.1Å
61G98.3Very high98.3Very high23 Ų2348.6 Ų48.624%0.23728%0.279CS..G310 helixtrans75.67.9-174.400000114.5N58 P59 K65N58-G61 PolarHBondContact O-N 2.85Å; N58-G61 WeakPolarHBondContact OD1-CA 3.5Å; P59-G61 PolarHBondContact O-N 3.32Å; G61-K65 WeakPolarHBondContact O-CG 3.42Å; G61-K65 PolarHBondContact O-N 2.9Å
62L98.7Very high98.3Very high3 Ų349.5 Ų49.52%0.01630%0.297CS..Hα-helixtrans-67.9-37-173-62.7170.3000112.4V18 C20 F24 L26 P59 G60 K65 L66 L80V18-L62 HydrophobicContact CG1-CB 4.03Å; C20-L62 HydrophobicContact CB-CD1 3.42Å; C20-L62 VanDerWaalsContact CB-CD1 3.42Å; F24-L62 HydrophobicContact CB-CD1 4.37Å; L26-L62 HydrophobicContact CD2-CB 4.48Å; L26-L62 HydrophobicContact CD2-CD1 3.86Å; L26-L62 HydrophobicContact CG-CD1 4.22Å; L26-L62 HydrophobicContact CG-CD2 4.41Å; P59-L62 WeakPolarHBondContact O-CB 3.25Å; P59-L62 WeakPolarHBondContact O-CD1 3.3Å; P59-L62 WeakPolarHBondContact O-CG 3.48Å; P59-L62 PolarHBondContact O-N 2.83Å; P59-L62 VanDerWaalsContact O-N 3.15Å; G60-L62 PolarHBondContact O-N 3.1Å; L62-K65 PolarHBondContact O-N 3.15Å; L62-L66 PolarHBondContact O-N 3.1Å; L62-L80 HydrophobicContact CD2-CD2 3.7Å
63S98.7Very high98.3Very high0 Ų049 Ų490%030%0.297CS..Hα-helixtrans-66.1-43.7179.8-62.50000111.8E7 N58 L66 R67E7-S63 WeakPolarHBondContact OE2-CB 3.48Å; E7-S63 PolarHBondContact OE2-OG 2.63Å; N58-S63 WeakPolarHBondContact OD1-CB 3.27Å; N58-S63 PolarHBondContact OD1-N 3.48Å; S63-L66 PolarHBondContact O-N 3.24Å; S63-R67 WeakPolarHBondContact O-CG 3.47Å; S63-R67 PolarHBondContact O-N 2.97Å
64D98.6Very high98.2Very high68 Ų6846.8 Ų46.836%0.36429%0.291SS..Hα-helixtrans-63.7-41.9175.8-73.6-15.7000111.9N58 L66 R67 E68N58-D64 VanDerWaalsContact ND2-CG 3.34Å; N58-D64 PolarHBondContact ND2-OD2 3.31Å; N58-D64 PolarHBondContact OD1-N 3.41Å; N58-D64 VanDerWaalsContact OD1-N 3.13Å; D64-L66 VanDerWaalsContact C-N 3.29Å; D64-L66 PolarHBondContact O-N 3.2Å; D64-R67 CarbonylContact O-C 3.56Å; D64-R67 WeakPolarHBondContact O-CA 3.23Å; D64-R67 WeakPolarHBondContact O-CB 3.23Å; D64-R67 PolarHBondContact O-N 3.47Å; D64-R67 IonicContact OD1-CZ 3.64Å; D64-R67 IonicContact OD1-NH1 2.77Å; D64-R67 PolarHBondContact OD1-NH1 3.17Å; D64-E68 WeakPolarHBondContact O-CG 3.38Å; D64-E68 PolarHBondContact O-N 2.83Å
65K98.7Very high98Very high65 Ų6548.1 Ų48.128%0.28330%0.304SS..Hα-helixtrans-61.5-36.8174.9-71.6178.1-178.9-1770112.6G61 L62 E68 Y69 I76 L80G61-K65 WeakPolarHBondContact O-CG 3.42Å; G61-K65 PolarHBondContact O-N 2.9Å; L62-K65 PolarHBondContact O-N 3.15Å; K65-E68 WeakPolarHBondContact O-CB 3.47Å; K65-E68 PolarHBondContact O-N 3.48Å; K65-Y69 PolarHBondContact O-N 3.05Å; K65-I76 HydrophobicContact CB-CG1 3.85Å; K65-I76 HydrophobicContact CD-CD1 4.49Å; K65-I76 HydrophobicContact CD-CG1 4.41Å; K65-I76 HydrophobicContact CG-CD1 4.22Å; K65-I76 HydrophobicContact CG-CG1 3.88Å; K65-I76 WeakPolarHBondContact O-CG2 3.43Å; K65-L80 HydrophobicContact CB-CD2 3.73Å; K65-L80 HydrophobicContact CD-CD2 3.32Å; K65-L80 HydrophobicContact CG-CD2 4.18Å
66L98.7Very high98Very high0 Ų044 Ų440%027%0.273CS..Hα-helixtrans-67.9-37.3172-80.4167.2000111.9I9 L16 V18 V29 L62 S63 D64 E68 Y69 F70 I77 L80 V136I9-L66 HydrophobicContact CD1-CB 3.87Å; L16-L66 HydrophobicContact CD2-CD1 4.35Å; V18-L66 HydrophobicContact CB-CD1 4.25Å; V18-L66 HydrophobicContact CG1-CD1 3.87Å; V18-L66 HydrophobicContact CG2-CD1 3.41Å; V18-L66 VanDerWaalsContact CG2-CD1 3.41Å; V29-L66 HydrophobicContact CG1-CD1 4.34Å; V29-L66 HydrophobicContact CG2-CD1 4.28Å; L62-L66 PolarHBondContact O-N 3.1Å; S63-L66 PolarHBondContact O-N 3.24Å; D64-L66 VanDerWaalsContact C-N 3.29Å; D64-L66 PolarHBondContact O-N 3.2Å; L66-E68 VanDerWaalsContact C-N 3.35Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 2.94Å; L66-F70 WeakPolarHBondContact O-CD2 3.09Å; L66-F70 PolarHBondContact O-N 3.33Å; L66-I77 HydrophobicContact CD2-CG2 4.35Å; L66-L80 HydrophobicContact CD2-CD1 4.34Å; L66-L80 HydrophobicContact CG-CD1 4.24Å; L66-V136 HydrophobicContact CD2-CG2 4Å
67R98.5Very high97.9Very high92 Ų9243 Ų4335%0.34726%0.264SS..Hα-helixtrans-62.2-41.4171.6-66.7172.6-175.4114.43.9111.6E7 I9 S63 D64 Y69 F70 A71E7-R67 IonicContact OE1-CZ 3.89Å; E7-R67 IonicContact OE1-NH1 3.07Å; E7-R67 IonicContact OE1-NH2 3.84Å; E7-R67 PolarHBondContact OE1-NH2 3.39Å; I9-R67 HydrophobicContact CD1-CG 4.31Å; I9-R67 VanDerWaalsContact CG2-NH2 3.3Å; S63-R67 WeakPolarHBondContact O-CG 3.47Å; S63-R67 PolarHBondContact O-N 2.97Å; D64-R67 CarbonylContact O-C 3.56Å; D64-R67 WeakPolarHBondContact O-CA 3.23Å; D64-R67 WeakPolarHBondContact O-CB 3.23Å; D64-R67 PolarHBondContact O-N 3.47Å; D64-R67 IonicContact OD1-CZ 3.64Å; D64-R67 IonicContact OD1-NH1 2.77Å; D64-R67 PolarHBondContact OD1-NH1 3.17Å; R67-Y69 VanDerWaalsContact C-N 3.32Å; R67-Y69 PolarHBondContact O-N 3.28Å; R67-F70 CarbonylContact O-C 3.58Å; R67-F70 PolarHBondContact O-N 3.4Å; R67-A71 WeakPolarHBondContact O-CB 3.07Å; R67-A71 PolarHBondContact O-N 3.49Å
68E98.5Very high97.8Very high80 Ų8040.3 Ų40.337%0.37425%0.245SC..Hα-helixtrans-60-40.2174.9-76.2-175.8-125.600112.3D64 K65 L66 F70 A71 G72 N73 I76D64-E68 WeakPolarHBondContact O-CG 3.38Å; D64-E68 PolarHBondContact O-N 2.83Å; K65-E68 WeakPolarHBondContact O-CB 3.47Å; K65-E68 PolarHBondContact O-N 3.48Å; L66-E68 VanDerWaalsContact C-N 3.35Å; E68-F70 PolarHBondContact O-N 3.08Å; E68-A71 CarbonylContact O-C 3.43Å; E68-A71 WeakPolarHBondContact O-CA 3.4Å; E68-A71 PolarHBondContact O-N 3.18Å; E68-A71 VanDerWaalsContact O-N 3.11Å; E68-G72 PolarHBondContact O-N 3.03Å; E68-G72 VanDerWaalsContact O-N 3.14Å; E68-N73 HydrophobicContact CB-CB 4.13Å; E68-N73 WeakPolarHBondContact O-CB 3.47Å; E68-N73 PolarHBondContact O-N 3.39Å; E68-N73 PolarHBondContact OE2-ND2 2.97Å; E68-I76 HydrophobicContact CB-CG1 4.47Å; E68-I76 HydrophobicContact CB-CG2 4.19Å
69Y98.7Very high97.7Very high0 Ų042.2 Ų42.20%026%0.259CS..Hα-helixtrans-58-48.4173.7167.7-96.5000111.1K65 L66 R67 A71 G72 L74 I77 I135 L162 H165 E166K65-Y69 PolarHBondContact O-N 3.05Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 2.94Å; R67-Y69 VanDerWaalsContact C-N 3.32Å; R67-Y69 PolarHBondContact O-N 3.28Å; Y69-A71 PolarHBondContact O-N 3.36Å; Y69-G72 PolarHBondContact O-N 3.03Å; Y69-G72 VanDerWaalsContact O-N 3.1Å; Y69-L74 HydrophobicContact CD2-CD2 4.22Å; Y69-L74 HydrophobicContact CE2-CD2 4Å; Y69-I77 HydrophobicContact CD2-CD1 4.02Å; Y69-I77 HydrophobicContact CD2-CG1 4.16Å; Y69-I77 HydrophobicContact CD2-CG2 3.67Å; Y69-I77 HydrophobicContact CE2-CD1 3.79Å; Y69-I77 HydrophobicContact CE2-CG1 4.41Å; Y69-I77 HydrophobicContact CE2-CG2 4.41Å; Y69-I77 HydrophobicContact CG-CG2 3.76Å; Y69-I135 HydrophobicContact CD1-CG2 3.83Å; Y69-I135 HydrophobicContact CD2-CG2 4.47Å; Y69-I135 HydrophobicContact CE1-CD1 4.44Å; Y69-I135 HydrophobicContact CE1-CG2 3.47Å; Y69-I135 VanDerWaalsContact CE1-CG2 3.47Å; Y69-I135 HydrophobicContact CE2-CG2 4.14Å; Y69-I135 HydrophobicContact CG-CG2 4.32Å; Y69-L162 HydrophobicContact CE1-CD2 4.06Å; Y69-H165 PolarHBondContact O-NE2 3.18Å; Y69-E166 HydrophobicContact CE2-CG 4.27Å; Y69-E166 WeakPolarHBondContact OH-CG 3.44Å; Y69-E166 PolarHBondContact OH-OE1 3.17Å
70F98.4Very high97.7Very high20 Ų2041.9 Ų41.99%0.08826%0.257CS..Hα-helixtrans-66.9-25176.2-71.1-69000113.2T11 P12 L16 W31 L66 R67 E68 G72 I135 W161 L162 H165T11-F70 HydrophobicContact CG2-CD2 3.9Å; T11-F70 HydrophobicContact CG2-CE2 3.4Å; T11-F70 VanDerWaalsContact CG2-CE2 3.4Å; T11-F70 HydrophobicContact CG2-CZ 3.84Å; P12-F70 HydrophobicContact CG-CB 4.32Å; P12-F70 HydrophobicContact CG-CD1 4.33Å; L16-F70 HydrophobicContact CD2-CE2 4.06Å; L16-F70 HydrophobicContact CD2-CZ 4.4Å; W31-F70 HydrophobicContact CH2-CE1 4.35Å; W31-F70 AromaticContact CH2-CZ 3.9Å; W31-F70 HydrophobicContact CH2-CZ 3.9Å; W31-F70 HydrophobicContact CZ3-CZ 4.39Å; L66-F70 WeakPolarHBondContact O-CD2 3.09Å; L66-F70 PolarHBondContact O-N 3.33Å; R67-F70 CarbonylContact O-C 3.58Å; R67-F70 PolarHBondContact O-N 3.4Å; E68-F70 PolarHBondContact O-N 3.08Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 2.89Å; F70-I135 HydrophobicContact CE1-CD1 4.33Å; F70-I135 HydrophobicContact CE2-CD1 4.16Å; F70-I135 HydrophobicContact CZ-CD1 3.52Å; F70-W161 AromaticContact CD1-CH2 3.97Å; F70-W161 HydrophobicContact CD1-CH2 3.97Å; F70-W161 AromaticContact CD1-CZ3 3.9Å; F70-W161 HydrophobicContact CD1-CZ3 3.9Å; F70-W161 HydrophobicContact CE1-CH2 4.48Å; F70-W161 HydrophobicContact CE1-CZ3 4.02Å; F70-L162 HydrophobicContact CE1-CD2 4.33Å; F70-H165 PolarHBondContact O-CE1 2.85Å; F70-H165 VanDerWaalsContact O-CE1 3.31Å
71A98.1Very high97.7Very high90 Ų9042.8 Ų42.874%0.74426%0.255SS*.THydrogen-bonded Turntrans-79.9-3.217400000113.8R67 E68 Y69R67-A71 WeakPolarHBondContact O-CB 3.07Å; R67-A71 PolarHBondContact O-N 3.49Å; E68-A71 CarbonylContact O-C 3.43Å; E68-A71 WeakPolarHBondContact O-CA 3.4Å; E68-A71 PolarHBondContact O-N 3.18Å; E68-A71 VanDerWaalsContact O-N 3.11Å; Y69-A71 PolarHBondContact O-N 3.36Å
72G97.1Very high97.7Very high45 Ų4543.8 Ų43.846%0.46426%0.257SS..THydrogen-bonded Turntrans106.6-0.9174.700000115.2E68 Y69 F70 L74E68-G72 PolarHBondContact O-N 3.03Å; E68-G72 VanDerWaalsContact O-N 3.14Å; Y69-G72 PolarHBondContact O-N 3.03Å; Y69-G72 VanDerWaalsContact O-N 3.1Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 2.89Å; G72-L74 PolarHBondContact O-N 2.88Å
73N97.7Very high97.6Very high63 Ų6344.4 Ų44.434%0.33726%0.263SS..  trans-77.868.5168.5-1755.6000109.9E68 S75 I76E68-N73 HydrophobicContact CB-CB 4.13Å; E68-N73 WeakPolarHBondContact O-CB 3.47Å; E68-N73 PolarHBondContact O-N 3.39Å; E68-N73 PolarHBondContact OE2-ND2 2.97Å; N73-S75 VanDerWaalsContact C-N 3.27Å; N73-S75 PolarHBondContact O-N 3.45Å; N73-I76 HydrophobicContact CB-CB 4.49Å; N73-I76 WeakPolarHBondContact O-CB 3.1Å; N73-I76 WeakPolarHBondContact O-CG2 3.4Å; N73-I76 PolarHBondContact O-N 3.24Å; N73-I76 VanDerWaalsContact O-N 3.11Å
74L96.9Very high97.2Very high40 Ų4045.7 Ų45.721%0.20927%0.27CS..G310 helixtrans-59.6-33.6-167.8-60.5176.7000113.9Y69 G72 I76 I77 C102 H165 E166Y69-L74 HydrophobicContact CD2-CD2 4.22Å; Y69-L74 HydrophobicContact CE2-CD2 4Å; G72-L74 PolarHBondContact O-N 2.88Å; L74-I76 VanDerWaalsContact C-N 3.25Å; L74-I76 PolarHBondContact O-N 3.29Å; L74-I77 WeakPolarHBondContact O-CG1 3.49Å; L74-C102 HydrophobicContact CB-CB 4.33Å; L74-H165 VanDerWaalsContact CD2-CD2 3.47Å; L74-H165 WeakPolarHBondContact CD2-CD2 3.12Å; L74-H165 WeakPolarHBondContact CD2-NE2 3.29Å; L74-E166 HydrophobicContact CD2-CG 4.28Å
75S94.2Very high96.9Very high70 Ų7043.1 Ų43.149%0.4926%0.26SS..G310 helixtrans-74.4-11.5-178.649.50000113.9N73 I77 D78N73-S75 VanDerWaalsContact C-N 3.27Å; N73-S75 PolarHBondContact O-N 3.45Å; S75-I77 PolarHBondContact O-N 3.11Å; S75-D78 WeakPolarHBondContact O-CB 3.06Å; S75-D78 PolarHBondContact O-N 3.19Å; S75-D78 VanDerWaalsContact O-N 3.08Å
76I97.4Very high96.7Very high23 Ų2341.4 Ų41.412%0.11826%0.261CS..G310 helixtrans-60.5-31.9-175.5-164.559.8000112.6K65 E68 N73 L74 D78 T79K65-I76 HydrophobicContact CB-CG1 3.85Å; K65-I76 HydrophobicContact CD-CD1 4.49Å; K65-I76 HydrophobicContact CD-CG1 4.41Å; K65-I76 HydrophobicContact CG-CD1 4.22Å; K65-I76 HydrophobicContact CG-CG1 3.88Å; K65-I76 WeakPolarHBondContact O-CG2 3.43Å; E68-I76 HydrophobicContact CB-CG1 4.47Å; E68-I76 HydrophobicContact CB-CG2 4.19Å; N73-I76 HydrophobicContact CB-CB 4.49Å; N73-I76 WeakPolarHBondContact O-CB 3.1Å; N73-I76 WeakPolarHBondContact O-CG2 3.4Å; N73-I76 PolarHBondContact O-N 3.24Å; N73-I76 VanDerWaalsContact O-N 3.11Å; L74-I76 VanDerWaalsContact C-N 3.25Å; L74-I76 PolarHBondContact O-N 3.29Å; I76-D78 PolarHBondContact O-N 3.36Å; I76-T79 WeakPolarHBondContact O-CB 3.21Å; I76-T79 PolarHBondContact O-N 2.81Å; I76-T79 VanDerWaalsContact O-N 3.14Å; I76-T79 PolarHBondContact O-OG1 3.42Å
77I96.8Very high96.7Very high1 Ų144.7 Ų44.71%0.00528%0.281CS..G310 helixtrans-64.8-26.6179.657.8169.2000112.8L66 Y69 L74 S75 T79 L80 I135 V136L66-I77 HydrophobicContact CD2-CG2 4.35Å; Y69-I77 HydrophobicContact CD2-CD1 4.02Å; Y69-I77 HydrophobicContact CD2-CG1 4.16Å; Y69-I77 HydrophobicContact CD2-CG2 3.67Å; Y69-I77 HydrophobicContact CE2-CD1 3.79Å; Y69-I77 HydrophobicContact CE2-CG1 4.41Å; Y69-I77 HydrophobicContact CE2-CG2 4.41Å; Y69-I77 HydrophobicContact CG-CG2 3.76Å; L74-I77 WeakPolarHBondContact O-CG1 3.49Å; S75-I77 PolarHBondContact O-N 3.11Å; I77-T79 PolarHBondContact O-N 3.49Å; I77-L80 HydrophobicContact CB-CD1 4.38Å; I77-L80 HydrophobicContact CG2-CD1 4.19Å; I77-L80 WeakPolarHBondContact O-CB 3.5Å; I77-L80 PolarHBondContact O-N 3.14Å; I77-L80 VanDerWaalsContact O-N 3.08Å; I77-I135 HydrophobicContact CD1-CG2 4.19Å; I77-I135 WeakPolarHBondContact CD1-O 3.3Å; I77-I135 HydrophobicContact CG2-CG2 4.1Å; I77-V136 HydrophobicContact CB-CG2 4.49Å; I77-V136 HydrophobicContact CG2-CG2 4.38Å
78D95.6Very high96.6Very high75 Ų7545 Ų4540%0.40130%0.295SS..G310 helixtrans-65.9-25.2179.1-62.1-31.7000111.1S75 I76 L80 R98S75-D78 WeakPolarHBondContact O-CB 3.06Å; S75-D78 PolarHBondContact O-N 3.19Å; S75-D78 VanDerWaalsContact O-N 3.08Å; I76-D78 PolarHBondContact O-N 3.36Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-R98 PolarHBondContact O-NH2 3.05Å
79T96.5Very high96.5Very high83 Ų8343.1 Ų43.151%0.50929%0.285SS..G310 helixtrans-80.4-12.4177.778.10000113.8I76 I77 P81I76-T79 WeakPolarHBondContact O-CB 3.21Å; I76-T79 PolarHBondContact O-N 2.81Å; I76-T79 VanDerWaalsContact O-N 3.14Å; I76-T79 PolarHBondContact O-OG1 3.42Å; I77-T79 PolarHBondContact O-N 3.49Å; T79-P81 WeakPolarHBondContact O-CD 3.34Å
80L98.2Very high96.5Very high0 Ų044.7 Ų44.70%029%0.293CS..SBendtrans-78.3121.5-172.9-64.2179.5000111L26 L62 K65 L66 I77 D78 R98 V136L26-L80 HydrophobicContact CD1-CB 3.92Å; L26-L80 HydrophobicContact CD1-CD1 4.16Å; L62-L80 HydrophobicContact CD2-CD2 3.7Å; K65-L80 HydrophobicContact CB-CD2 3.73Å; K65-L80 HydrophobicContact CD-CD2 3.32Å; K65-L80 HydrophobicContact CG-CD2 4.18Å; L66-L80 HydrophobicContact CD2-CD1 4.34Å; L66-L80 HydrophobicContact CG-CD1 4.24Å; I77-L80 HydrophobicContact CB-CD1 4.38Å; I77-L80 HydrophobicContact CG2-CD1 4.19Å; I77-L80 WeakPolarHBondContact O-CB 3.5Å; I77-L80 PolarHBondContact O-N 3.14Å; I77-L80 VanDerWaalsContact O-N 3.08Å; D78-L80 VanDerWaalsContact C-N 3.34Å; L80-R98 PolarHBondContact O-NH1 3.47Å; L80-R98 PolarHBondContact O-NH2 3Å; L80-V136 HydrophobicContact CB-CG1 3.71Å; L80-V136 HydrophobicContact CD1-CG1 4.29Å; L80-V136 HydrophobicContact CD1-CG2 3.63Å
81P97.8Very high96.5Very high58 Ų5849.9 Ų49.938%0.37731%0.312SS..  trans-71.6137.4179.730.5-35.3000110.2F24 R25 L26 T79F24-P81 VanDerWaalsContact O-CG 3.29Å; F24-P81 WeakPolarHBondContact O-CG 3.31Å; R25-P81 HydrophobicContact CG-CB 4.25Å; L26-P81 WeakPolarHBondContact CB-O 3.43Å; L26-P81 PolarHBondContact N-O 3.5Å; T79-P81 WeakPolarHBondContact O-CD 3.34Å
82T98.2Very high96.4Very high43 Ų4349.2 Ų49.226%0.26429%0.293SS..BIsolated β-bridgetrans-124.7140.8178.855.70000110.1L26 R98 I133 V136 V137L26-T82 HydrophobicContact CB-CG2 4.24Å; T82-R98 PolarHBondContact OG1-NH1 3.1Å; T82-I133 HydrophobicContact CG2-CD1 3.64Å; T82-I133 HydrophobicContact CG2-CG2 4.13Å; T82-V136 HydrophobicContact CG2-CG1 3.76Å; T82-V137 HydrophobicContact CG2-CG2 4.23Å
83A96.6Very high96.5Very high17 Ų1747 Ų4714%0.1427%0.271CS..  trans-137.4101.117000000108.4R25 L26 R27 Y46R25-A83 HydrophobicContact CB-CB 3.8Å; R25-A83 HydrophobicContact CG-CB 4.48Å; L26-A83 PolarHBondContact O-N 2.87Å; R27-A83 WeakPolarHBondContact CD-O 3.46Å; R27-A83 PolarHBondContact NE-O 3.35Å; R27-A83 VanDerWaalsContact NH1-C 3.32Å; R27-A83 PolarHBondContact NH1-O 3.46Å; Y46-A83 PolarHBondContact OH-O 3.25Å
84T90.1Very high96.5Very high27 Ų2744.2 Ų44.217%0.16626%0.256CS..  trans-94.3150.6179.856.90000110.9W94 P132 I133T84-W94 VanDerWaalsContact CB-CZ3 3.42Å; T84-W94 HydrophobicContact CG2-CE3 3.79Å; T84-W94 HydrophobicContact CG2-CZ3 3.99Å; T84-W94 WeakPolarHBondContact OG1-CZ3 3.32Å; T84-P132 HydrophobicContact CG2-CG 4.04Å; T84-I133 HydrophobicContact CG2-CD1 3.48Å; T84-I133 VanDerWaalsContact CG2-CD1 3.48Å; T84-I133 HydrophobicContact CG2-CG1 3.97Å
85G92.9Very high96.5Very high14 Ų1450.1 Ų50.114%0.14428%0.279CS..  trans-70.3-144.1157.300000111.1Y46 R91 W94Y46-G85 PolarHBondContact OH-N 2.9Å; G85-R91 WeakPolarHBondContact O-CD 3.47Å; G85-R91 VanDerWaalsContact O-CG 3.31Å; G85-R91 WeakPolarHBondContact O-CG 3.29Å; G85-W94 WeakPolarHBondContact O-CZ3 3.4Å
86G95Very high96.7Very high29 Ų2947.7 Ų47.730%0.29926%0.262SS..SBendtrans86.2171.6173.100000114.8H45H45-G86 PolarHBondContact CD2-N 3.27Å; H45-G86 VanDerWaalsContact CD2-N 3.33Å
87T97.2Very high96.7Very high69 Ų6946.6 Ų46.642%0.42326%0.256SS..  trans-67.7158.5-177.667.60000111.5F89 Q90 R91T87-F89 PolarHBondContact O-N 2.94Å; T87-Q90 PolarHBondContact O-N 3.44Å; T87-Q90 VanDerWaalsContact O-N 3.16Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.41Å; T87-Q90 PolarHBondContact OG1-N 3.3Å; T87-Q90 VanDerWaalsContact OG1-N 3.17Å; T87-Q90 PolarHBondContact OG1-OE1 3.06Å; T87-R91 PolarHBondContact O-N 3.11Å
88P96.9Very high96.8Very high98 Ų9849.5 Ų49.564%0.63627%0.267SS*.Hα-helixtrans-50.7-42.3172.7-28.436000113.1R91 E92P88-R91 PolarHBondContact O-N 3.48Å; P88-E92 PolarHBondContact O-N 3.19Å
89F97.1Very high96.8Very high41 Ų4149.6 Ų49.618%0.1827%0.27CS..Hα-helixtrans-65.5-44.2178.1177.3-110.4000112.8T87 R91 E92 V93 A123 V124 A127T87-F89 PolarHBondContact O-N 2.94Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.23Å; F89-E92 WeakPolarHBondContact O-CB 3.16Å; F89-E92 PolarHBondContact O-N 3.35Å; F89-V93 HydrophobicContact CD1-CG2 4.47Å; F89-V93 HydrophobicContact CD2-CG2 4.42Å; F89-V93 HydrophobicContact CE1-CG2 4.02Å; F89-V93 HydrophobicContact CE2-CG2 3.97Å; F89-V93 HydrophobicContact CZ-CG2 3.76Å; F89-V93 WeakPolarHBondContact O-CG2 3.44Å; F89-V93 PolarHBondContact O-N 3.32Å; F89-A123 HydrophobicContact CE1-CB 3.77Å; F89-A123 HydrophobicContact CZ-CB 3.96Å; F89-V124 HydrophobicContact CZ-CG2 3.94Å; F89-A127 HydrophobicContact CD1-CB 4.44Å; F89-A127 HydrophobicContact CE1-CB 4.11Å
90Q98Very high96.8Very high32 Ų3245.9 Ų45.915%0.1525%0.247CC..Hα-helixtrans-59.1-45.1175.7-80.1170.2-37.300111.7T87 E92 V93 W94 A127T87-Q90 PolarHBondContact O-N 3.44Å; T87-Q90 VanDerWaalsContact O-N 3.16Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.41Å; T87-Q90 PolarHBondContact OG1-N 3.3Å; T87-Q90 VanDerWaalsContact OG1-N 3.17Å; T87-Q90 PolarHBondContact OG1-OE1 3.06Å; Q90-E92 VanDerWaalsContact C-N 3.3Å; Q90-E92 PolarHBondContact O-N 2.79Å; Q90-V93 PolarHBondContact O-N 3.13Å; Q90-W94 HydrophobicContact CB-CD2 4.35Å; Q90-W94 HydrophobicContact CB-CE3 4.33Å; Q90-W94 HydrophobicContact CB-CH2 3.72Å; Q90-W94 HydrophobicContact CB-CZ2 3.71Å; Q90-W94 HydrophobicContact CB-CZ3 4.02Å; Q90-W94 HydrophobicContact CG-CH2 4.32Å; Q90-W94 HydrophobicContact CG-CZ2 4.05Å; Q90-W94 PolarHBondContact O-N 3.29Å; Q90-A127 HydrophobicContact CG-CB 3.96Å
91R97.7Very high96.6Very high130 Ų13049.6 Ų49.649%0.49127%0.271SS..Hα-helixtrans-63.2-36.5177.9-68.2-171.8-69.8164.4-0.6112.5G85 T87 P88 F89 W94 K95G85-R91 WeakPolarHBondContact O-CD 3.47Å; G85-R91 VanDerWaalsContact O-CG 3.31Å; G85-R91 WeakPolarHBondContact O-CG 3.29Å; T87-R91 PolarHBondContact O-N 3.11Å; P88-R91 PolarHBondContact O-N 3.48Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.23Å; R91-W94 HydrophobicContact CG-CE3 4.22Å; R91-W94 HydrophobicContact CG-CZ3 4.21Å; R91-K95 VanDerWaalsContact O-CB 3.32Å; R91-K95 WeakPolarHBondContact O-CB 3.41Å; R91-K95 PolarHBondContact O-N 3.02Å
92E97.2Very high96.5Very high75 Ų7548.5 Ų48.535%0.3527%0.265SS..Hα-helixtrans-64.2-45.8174.2-161-17417700111.6P88 F89 Q90 K95 T96 L115 R117P88-E92 PolarHBondContact O-N 3.19Å; F89-E92 WeakPolarHBondContact O-CB 3.16Å; F89-E92 PolarHBondContact O-N 3.35Å; Q90-E92 VanDerWaalsContact C-N 3.3Å; Q90-E92 PolarHBondContact O-N 2.79Å; E92-K95 PolarHBondContact O-N 2.76Å; E92-T96 PolarHBondContact O-N 3.24Å; E92-T96 PolarHBondContact O-OG1 2.89Å; E92-L115 HydrophobicContact CB-CD2 4.35Å; E92-L115 HydrophobicContact CG-CD2 3.66Å; E92-R117 IonicContact OE2-NE 3.7Å; E92-R117 IonicContact OE2-NH2 2.84Å; E92-R117 PolarHBondContact OE2-NH2 2.86Å
93V98.1Very high96.2Very high0 Ų047.3 Ų47.30%026%0.261CS..Hα-helixtrans-59.2-51.8174.6172.80000110.3F89 Q90 K95 T96 L97 L111 L115 V124 A127F89-V93 HydrophobicContact CD1-CG2 4.47Å; F89-V93 HydrophobicContact CD2-CG2 4.42Å; F89-V93 HydrophobicContact CE1-CG2 4.02Å; F89-V93 HydrophobicContact CE2-CG2 3.97Å; F89-V93 HydrophobicContact CZ-CG2 3.76Å; F89-V93 WeakPolarHBondContact O-CG2 3.44Å; F89-V93 PolarHBondContact O-N 3.32Å; Q90-V93 PolarHBondContact O-N 3.13Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.18Å; V93-T96 CarbonylContact O-C 3.58Å; V93-T96 WeakPolarHBondContact O-CA 3.35Å; V93-T96 WeakPolarHBondContact O-CB 3.49Å; V93-T96 PolarHBondContact O-N 2.95Å; V93-L97 HydrophobicContact CG1-CD1 4.4Å; V93-L97 HydrophobicContact CG1-CG 4.37Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 3.04Å; V93-L111 HydrophobicContact CG1-CD2 4.41Å; V93-L115 HydrophobicContact CB-CD1 4.49Å; V93-L115 HydrophobicContact CG2-CD1 3.68Å; V93-V124 HydrophobicContact CG1-CG1 4.32Å; V93-V124 HydrophobicContact CG2-CG2 4.36Å; V93-A127 HydrophobicContact CB-CB 3.97Å; V93-A127 HydrophobicContact CG1-CB 3.96Å; V93-A127 HydrophobicContact CG2-CB 3.84Å
94W98.3Very high96.1Very high4 Ų452 Ų522%0.01528%0.28CS..Hα-helixtrans-64.2-36.4-177.9-59.1-27.4000113.2H45 T84 G85 Q90 R91 T96 L97 R98 A127 S130 V137H45-W94 AromaticContact CE1-CH2 3.81Å; H45-W94 AromaticContact NE2-CH2 3.78Å; T84-W94 VanDerWaalsContact CB-CZ3 3.42Å; T84-W94 HydrophobicContact CG2-CE3 3.79Å; T84-W94 HydrophobicContact CG2-CZ3 3.99Å; T84-W94 WeakPolarHBondContact OG1-CZ3 3.32Å; G85-W94 WeakPolarHBondContact O-CZ3 3.4Å; Q90-W94 HydrophobicContact CB-CD2 4.35Å; Q90-W94 HydrophobicContact CB-CE3 4.33Å; Q90-W94 HydrophobicContact CB-CH2 3.72Å; Q90-W94 HydrophobicContact CB-CZ2 3.71Å; Q90-W94 HydrophobicContact CB-CZ3 4.02Å; Q90-W94 HydrophobicContact CG-CH2 4.32Å; Q90-W94 HydrophobicContact CG-CZ2 4.05Å; Q90-W94 PolarHBondContact O-N 3.29Å; R91-W94 HydrophobicContact CG-CE3 4.22Å; R91-W94 HydrophobicContact CG-CZ3 4.21Å; W94-T96 VanDerWaalsContact C-N 3.3Å; W94-T96 PolarHBondContact O-N 3.13Å; W94-L97 PolarHBondContact O-N 2.69Å; W94-R98 PolarHBondContact O-N 3.11Å; W94-A127 PolarHBondContact NE1-O 3.26Å; W94-S130 VanDerWaalsContact CZ2-O 3.31Å; W94-S130 WeakPolarHBondContact CZ2-O 3.46Å; W94-V137 HydrophobicContact CB-CG1 3.81Å; W94-V137 HydrophobicContact CG-CG1 4.17Å
95K97.3Very high96.3Very high163 Ų16352.2 Ų52.271%0.70928%0.281SS*.Hα-helixtrans-60.9-42.2171-175.4-176.7-177-171.80111.1R91 E92 V93 R98R91-K95 VanDerWaalsContact O-CB 3.32Å; R91-K95 WeakPolarHBondContact O-CB 3.41Å; R91-K95 PolarHBondContact O-N 3.02Å; E92-K95 PolarHBondContact O-N 2.76Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.18Å; K95-R98 PolarHBondContact O-N 3.05Å
96T97.7Very high96.4Very high19 Ų1953.1 Ų53.112%0.11728%0.282CS..Hα-helixtrans-70.5-35.9179.7-51.50000111.7E92 V93 W94 R98 T99 L111 Q114 L115E92-T96 PolarHBondContact O-N 3.24Å; E92-T96 PolarHBondContact O-OG1 2.89Å; V93-T96 CarbonylContact O-C 3.58Å; V93-T96 WeakPolarHBondContact O-CA 3.35Å; V93-T96 WeakPolarHBondContact O-CB 3.49Å; V93-T96 PolarHBondContact O-N 2.95Å; W94-T96 VanDerWaalsContact C-N 3.3Å; W94-T96 PolarHBondContact O-N 3.13Å; T96-R98 PolarHBondContact O-N 2.63Å; T96-T99 WeakPolarHBondContact O-CB 3.34Å; T96-T99 PolarHBondContact O-N 3.11Å; T96-T99 PolarHBondContact O-OG1 3.07Å; T96-L111 HydrophobicContact CG2-CD1 3.4Å; T96-L111 VanDerWaalsContact CG2-CD1 3.4Å; T96-Q114 HydrophobicContact CG2-CG 4Å; T96-L115 HydrophobicContact CG2-CD2 4.42Å; T96-L115 HydrophobicContact CG2-CG 4.5Å; T96-L115 VanDerWaalsContact OG1-CD2 3.23Å; T96-L115 WeakPolarHBondContact OG1-CD2 3.44Å
97L97.8Very high96.4Very high0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-55.5-40.9172.9-69177.2000111.9V93 W94 T99 I100 L111 N128 V137 P138 C139 V142V93-L97 HydrophobicContact CG1-CD1 4.4Å; V93-L97 HydrophobicContact CG1-CG 4.37Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 3.04Å; W94-L97 PolarHBondContact O-N 2.69Å; L97-T99 PolarHBondContact O-N 2.77Å; L97-I100 HydrophobicContact CD2-CD1 3.96Å; L97-I100 WeakPolarHBondContact O-CB 3.31Å; L97-I100 WeakPolarHBondContact O-CG1 3.42Å; L97-I100 PolarHBondContact O-N 2.7Å; L97-L111 HydrophobicContact CD2-CD2 3.53Å; L97-L111 HydrophobicContact CG-CD2 4.41Å; L97-N128 VanDerWaalsContact CD1-OD1 3.3Å; L97-N128 WeakPolarHBondContact CD1-OD1 3.41Å; L97-V137 HydrophobicContact CB-CG1 3.99Å; L97-V137 HydrophobicContact CD1-CG1 3.73Å; L97-V137 HydrophobicContact CG-CG1 4.49Å; L97-P138 HydrophobicContact CB-CG 4.45Å; L97-P138 WeakPolarHBondContact O-CG 3.34Å; L97-C139 HydrophobicContact CD1-CB 4.21Å; L97-V142 HydrophobicContact CD2-CG2 3.28Å
98R97.6Very high96.2Very high63 Ų6352.8 Ų52.824%0.23827%0.266CS..THydrogen-bonded Turntrans-65.4-5.7177.1-67.5-170.866.71486.8114.4D78 L80 T82 W94 K95 T96 V137D78-R98 PolarHBondContact O-NH2 3.05Å; L80-R98 PolarHBondContact O-NH1 3.47Å; L80-R98 PolarHBondContact O-NH2 3Å; T82-R98 PolarHBondContact OG1-NH1 3.1Å; W94-R98 PolarHBondContact O-N 3.11Å; K95-R98 PolarHBondContact O-N 3.05Å; T96-R98 PolarHBondContact O-N 2.63Å; R98-V137 HydrophobicContact CG-CG2 4.29Å
99T96.6Very high96.1Very high77 Ų7749.4 Ų49.447%0.47225%0.249SC..THydrogen-bonded Turntrans-90.4-11.1173.773.10000113.3T96 L97 P101 Q114T96-T99 WeakPolarHBondContact O-CB 3.34Å; T96-T99 PolarHBondContact O-N 3.11Å; T96-T99 PolarHBondContact O-OG1 3.07Å; L97-T99 PolarHBondContact O-N 2.77Å; T99-P101 VanDerWaalsContact O-CD 3.25Å; T99-P101 WeakPolarHBondContact O-CD 3.5Å; T99-Q114 PolarHBondContact OG1-NE2 3.08Å
100I96.3Very high96Very high5 Ų551.7 Ų51.73%0.02626%0.26CS..SBendtrans-78.9114.2179.4-53169.9000108.1L97 Q104 M106 R141 V142L97-I100 HydrophobicContact CD2-CD1 3.96Å; L97-I100 WeakPolarHBondContact O-CB 3.31Å; L97-I100 WeakPolarHBondContact O-CG1 3.42Å; L97-I100 PolarHBondContact O-N 2.7Å; I100-Q104 HydrophobicContact CG2-CB 4.38Å; I100-M106 HydrophobicContact CD1-CB 3.89Å; I100-M106 HydrophobicContact CD1-SD 4.42Å; I100-M106 HydrophobicContact CG1-CB 4.37Å; I100-M106 HydrophobicContact CG1-CE 4.28Å; I100-M106 HydrophobicContact CG1-SD 4.48Å; I100-R141 HydrophobicContact CB-CB 4.46Å; I100-R141 HydrophobicContact CD1-CB 4.43Å; I100-R141 HydrophobicContact CG2-CB 3.85Å; I100-R141 HydrophobicContact CG2-CG 4.43Å; I100-R141 PolarHBondContact O-NH1 3.14Å; I100-V142 HydrophobicContact CD1-CG2 4.1Å
101P94.8Very high95.9Very high77 Ų7750.1 Ų50.150%0.525%0.253SS..  trans-66.8159.2-177-20.734.1000113.3T99 Q104T99-P101 VanDerWaalsContact O-CD 3.25Å; T99-P101 WeakPolarHBondContact O-CD 3.5Å; P101-Q104 HydrophobicContact CB-CB 4.5Å; P101-Q104 HydrophobicContact CB-CG 4.14Å; P101-Q104 HydrophobicContact CG-CG 4.35Å; P101-Q104 WeakPolarHBondContact O-CB 3.48Å; P101-Q104 PolarHBondContact O-N 2.88Å
102C94.5Very high95.9Very high36 Ų3644 Ų4424%0.24323%0.23CC..THydrogen-bonded Turntrans-54.8139.9167.6-63.30000110.9L74 Q104 R141L74-C102 HydrophobicContact CB-CB 4.33Å; C102-Q104 PolarHBondContact O-N 2.92Å; C102-R141 PolarHBondContact SG-NH2 3.22Å
103G93.3Very high95.9Very high17 Ų1746.4 Ų46.418%0.17524%0.241CC..THydrogen-bonded Turntrans76.7-1-178.900000114.6E166G103-E166 WeakPolarHBondContact CA-O 3.39Å; G103-E166 PolarHBondContact N-O 2.95Å; G103-E166 VanDerWaalsContact N-O 3.16Å
104Q94.5Very high95.8Very high116 Ų11651.1 Ų51.154%0.54226%0.263SS..  trans-110152.4174.9-59.8-62-40.700110.7I100 P101 C102I100-Q104 HydrophobicContact CG2-CB 4.38Å; P101-Q104 HydrophobicContact CB-CB 4.5Å; P101-Q104 HydrophobicContact CB-CG 4.14Å; P101-Q104 HydrophobicContact CG-CG 4.35Å; P101-Q104 WeakPolarHBondContact O-CB 3.48Å; P101-Q104 PolarHBondContact O-N 2.88Å; C102-Q104 PolarHBondContact O-N 2.92Å
105V94.5Very high95.7Very high32 Ų3251.7 Ų51.719%0.19427%0.266CS..  trans-126.2158.7175.8-64.10000110.2R141 I143 L163 Y168V105-R141 CarbonylContact C-O 3.56Å; V105-R141 WeakPolarHBondContact CA-O 3.32Å; V105-R141 WeakPolarHBondContact CB-O 3.2Å; V105-I143 HydrophobicContact CB-CD1 3.96Å; V105-I143 HydrophobicContact CB-CG1 4.21Å; V105-I143 HydrophobicContact CG1-CD1 4.38Å; V105-I143 HydrophobicContact CG1-CG2 4.46Å; V105-I143 HydrophobicContact CG2-CD1 3.62Å; V105-I143 HydrophobicContact CG2-CG1 4.26Å; V105-L163 HydrophobicContact CG1-CD1 4.28Å; V105-L163 HydrophobicContact CG1-CD2 3.8Å; V105-Y168 HydrophobicContact CB-CE2 4.21Å; V105-Y168 HydrophobicContact CG1-CD1 4.12Å; V105-Y168 HydrophobicContact CG1-CD2 3.7Å; V105-Y168 HydrophobicContact CG1-CE1 4.09Å; V105-Y168 HydrophobicContact CG1-CE2 3.7Å; V105-Y168 HydrophobicContact CG1-CG 3.91Å; V105-Y168 HydrophobicContact CG2-CD2 4.16Å; V105-Y168 HydrophobicContact CG2-CE2 3.44Å; V105-Y168 VanDerWaalsContact CG2-CE2 3.44Å
106M94.7Very high95.7Very high33 Ų3347 Ų4716%0.16326%0.264CS..EExtended strand (participates in β ladder)trans-133.1145.4173.9-169.3171.4-76.200110.1I100 Q110 L111 Q114 R141 V142 I143I100-M106 HydrophobicContact CD1-CB 3.89Å; I100-M106 HydrophobicContact CD1-SD 4.42Å; I100-M106 HydrophobicContact CG1-CB 4.37Å; I100-M106 HydrophobicContact CG1-CE 4.28Å; I100-M106 HydrophobicContact CG1-SD 4.48Å; M106-Q110 HydrophobicContact CG-CB 3.64Å; M106-Q110 HydrophobicContact SD-CB 4.32Å; M106-L111 HydrophobicContact CG-CB 4.22Å; M106-L111 VanDerWaalsContact SD-CA 3.57Å; M106-L111 HydrophobicContact SD-CB 3.72Å; M106-L111 HydrophobicContact SD-CD1 3.88Å; M106-L111 HydrophobicContact SD-CG 4.38Å; M106-Q114 PolarHBondContact SD-OE1 3.39Å; M106-R141 PolarHBondContact N-O 3.49Å; M106-V142 CarbonylContact O-C 3.53Å; M106-V142 WeakPolarHBondContact O-CA 3.32Å; M106-V142 WeakPolarHBondContact O-CG1 3.35Å; M106-I143 PolarHBondContact O-N 2.85Å
107H93.5Very high95.6Very high47 Ų4751.7 Ų51.722%0.21828%0.28CS..EExtended strand (participates in β ladder)trans-85150.8172.4-51.9-57.1000111.2G109 Q110 L111 I143 G144H107-G109 PolarHBondContact O-N 2.84Å; H107-G109 VanDerWaalsContact O-N 3.09Å; H107-Q110 HydrophobicContact CB-CG 4.35Å; H107-Q110 PolarHBondContact CD2-OE1 3.04Å; H107-Q110 WeakPolarHBondContact O-CB 3.17Å; H107-Q110 PolarHBondContact O-N 3.43Å; H107-L111 PolarHBondContact O-N 3.16Å; H107-I143 WeakPolarHBondContact CA-O 3.43Å; H107-I143 WeakPolarHBondContact ND1-CG1 3.11Å; H107-G144 PolarHBondContact CE1-O 3.41Å; H107-G144 PolarHBondContact ND1-O 2.94Å
108Y94.5Very high95.4Very high43 Ų4355.9 Ų55.917%0.16931%0.307CS..Hα-helixtrans-53.3-34178.2-69.1-74.9000113.9A112 V124 N128 V142 I143Y108-A112 WeakPolarHBondContact O-CB 3.47Å; Y108-A112 PolarHBondContact O-N 3.23Å; Y108-A112 VanDerWaalsContact O-N 3.08Å; Y108-V124 HydrophobicContact CD1-CG1 4.3Å; Y108-N128 HydrophobicContact CE1-CB 4.07Å; Y108-N128 PolarHBondContact OH-ND2 3.32Å; Y108-V142 HydrophobicContact CD1-CG1 3.43Å; Y108-V142 VanDerWaalsContact CD1-CG1 3.43Å; Y108-V142 HydrophobicContact CD2-CG1 4.08Å; Y108-V142 HydrophobicContact CE1-CB 4.17Å; Y108-V142 HydrophobicContact CE1-CG1 3.4Å; Y108-V142 VanDerWaalsContact CE1-CG1 3.4Å; Y108-V142 HydrophobicContact CE2-CG1 4.08Å; Y108-V142 HydrophobicContact CG-CG1 3.78Å; Y108-I143 WeakPolarHBondContact CD2-O 3.24Å; Y108-I143 PolarHBondContact N-O 3.28Å
109G94.3Very high95.2Very high27 Ų2756.8 Ų56.828%0.27834%0.336SS..Hα-helixtrans-68.8-44.6175.200000113.1H107 L111 A112 E113H107-G109 PolarHBondContact O-N 2.84Å; H107-G109 VanDerWaalsContact O-N 3.09Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.17Å; G109-A112 WeakPolarHBondContact O-CB 3.33Å; G109-A112 PolarHBondContact O-N 3.03Å; G109-A112 VanDerWaalsContact O-N 3.12Å; G109-E113 WeakPolarHBondContact O-CG 3.28Å; G109-E113 PolarHBondContact O-N 3.23Å
110Q95.1Very high95.1Very high89 Ų8954.1 Ų54.142%0.41632%0.321SS..Hα-helixtrans-62.6-41176.1-68.9172.3-52.100111.4M106 H107 A112 E113 Q114M106-Q110 HydrophobicContact CG-CB 3.64Å; M106-Q110 HydrophobicContact SD-CB 4.32Å; H107-Q110 HydrophobicContact CB-CG 4.35Å; H107-Q110 PolarHBondContact CD2-OE1 3.04Å; H107-Q110 WeakPolarHBondContact O-CB 3.17Å; H107-Q110 PolarHBondContact O-N 3.43Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 3.41Å; Q110-E113 WeakPolarHBondContact O-CB 3.4Å; Q110-E113 PolarHBondContact O-N 2.97Å; Q110-Q114 WeakPolarHBondContact O-CB 3.33Å; Q110-Q114 PolarHBondContact O-N 3.33Å
111L96.3Very high95Very high0 Ų055.5 Ų55.50%033%0.334CS..Hα-helixtrans-63.6-38.1175.5-175.856.5000111.2V93 T96 L97 M106 H107 G109 Q114 L115 V124 V142V93-L111 HydrophobicContact CG1-CD2 4.41Å; T96-L111 HydrophobicContact CG2-CD1 3.4Å; T96-L111 VanDerWaalsContact CG2-CD1 3.4Å; L97-L111 HydrophobicContact CD2-CD2 3.53Å; L97-L111 HydrophobicContact CG-CD2 4.41Å; M106-L111 HydrophobicContact CG-CB 4.22Å; M106-L111 VanDerWaalsContact SD-CA 3.57Å; M106-L111 HydrophobicContact SD-CB 3.72Å; M106-L111 HydrophobicContact SD-CD1 3.88Å; M106-L111 HydrophobicContact SD-CG 4.38Å; H107-L111 PolarHBondContact O-N 3.16Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.17Å; L111-Q114 PolarHBondContact O-N 2.8Å; L111-L115 HydrophobicContact CG-CD1 4.32Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.23Å; L111-L115 VanDerWaalsContact O-N 3.12Å; L111-V124 HydrophobicContact CB-CG1 4.07Å; L111-V124 HydrophobicContact CD2-CG1 3.41Å; L111-V124 VanDerWaalsContact CD2-CG1 3.41Å; L111-V124 HydrophobicContact CG-CG1 3.67Å; L111-V142 HydrophobicContact CD2-CG2 4.03Å
112A96.8Very high95Very high0 Ų062.9 Ų62.90%035%0.352CS..Hα-helixtrans-67.2-39.9175.200000112.3Y108 G109 Q110 L115 G116 R117 A120 V124Y108-A112 WeakPolarHBondContact O-CB 3.47Å; Y108-A112 PolarHBondContact O-N 3.23Å; Y108-A112 VanDerWaalsContact O-N 3.08Å; G109-A112 WeakPolarHBondContact O-CB 3.33Å; G109-A112 PolarHBondContact O-N 3.03Å; G109-A112 VanDerWaalsContact O-N 3.12Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 3.41Å; A112-L115 PolarHBondContact O-N 3.43Å; A112-G116 PolarHBondContact O-N 3.35Å; A112-R117 CarbonylContact C-O 3.52Å; A112-R117 VanDerWaalsContact CB-O 3.31Å; A112-R117 WeakPolarHBondContact CB-O 3.47Å; A112-R117 CarbonylContact O-C 3.57Å; A112-R117 WeakPolarHBondContact O-CA 3.36Å; A112-R117 PolarHBondContact O-N 2.93Å; A112-A120 HydrophobicContact CB-CB 4.49Å; A112-V124 HydrophobicContact CB-CG2 3.93Å
113E97.1Very high95.1Very high126 Ų12663.4 Ų63.459%0.58936%0.358SS*.Hα-helixtrans-62.2-45.8172.8-75.7166.9-160.300112G109 Q110 L115 G116 P118G109-E113 WeakPolarHBondContact O-CG 3.28Å; G109-E113 PolarHBondContact O-N 3.23Å; Q110-E113 WeakPolarHBondContact O-CB 3.4Å; Q110-E113 PolarHBondContact O-N 2.97Å; E113-L115 PolarHBondContact O-N 3.03Å; E113-G116 WeakPolarHBondContact O-CA 3.21Å; E113-G116 PolarHBondContact O-N 3.04Å; E113-P118 HydrophobicContact CG-CB 3.86Å
114Q96.4Very high95.3Very high100 Ų10062.6 Ų62.647%0.46735%0.35SS..Hα-helixtrans-62.1-30.4177.5-173.3176.9-10.100112.4T96 T99 M106 Q110 L111 G116T96-Q114 HydrophobicContact CG2-CG 4Å; T99-Q114 PolarHBondContact OG1-NE2 3.08Å; M106-Q114 PolarHBondContact SD-OE1 3.39Å; Q110-Q114 WeakPolarHBondContact O-CB 3.33Å; Q110-Q114 PolarHBondContact O-N 3.33Å; L111-Q114 PolarHBondContact O-N 2.8Å; Q114-G116 PolarHBondContact O-N 3.24Å
115L96.8Very high95.3Very high15 Ų1558.1 Ų58.18%0.07934%0.335CS..THydrogen-bonded Turntrans-78.63.7172.8-70.9165.1000113.5E92 V93 T96 L111 A112 E113 R117 V124E92-L115 HydrophobicContact CB-CD2 4.35Å; E92-L115 HydrophobicContact CG-CD2 3.66Å; V93-L115 HydrophobicContact CB-CD1 4.49Å; V93-L115 HydrophobicContact CG2-CD1 3.68Å; T96-L115 HydrophobicContact CG2-CD2 4.42Å; T96-L115 HydrophobicContact CG2-CG 4.5Å; T96-L115 VanDerWaalsContact OG1-CD2 3.23Å; T96-L115 WeakPolarHBondContact OG1-CD2 3.44Å; L111-L115 HydrophobicContact CG-CD1 4.32Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.23Å; L111-L115 VanDerWaalsContact O-N 3.12Å; A112-L115 PolarHBondContact O-N 3.43Å; E113-L115 PolarHBondContact O-N 3.03Å; L115-R117 PolarHBondContact O-N 2.96Å; L115-V124 HydrophobicContact CD1-CG2 3.81Å
116G96.9Very high95.3Very high64 Ų6459.5 Ų59.566%0.6635%0.35SS*.THydrogen-bonded Turntrans68.920.6-175.400000113.7A112 E113 Q114A112-G116 PolarHBondContact O-N 3.35Å; E113-G116 WeakPolarHBondContact O-CA 3.21Å; E113-G116 PolarHBondContact O-N 3.04Å; Q114-G116 PolarHBondContact O-N 3.24Å
117R95.8Very high95.4Very high118 Ų11858.1 Ų58.145%0.44534%0.343SS..  trans-133.761.6-173.4-61.9172.6-172.5-118.77.1111.3E92 A112 L115 G119 A120E92-R117 IonicContact OE2-NE 3.7Å; E92-R117 IonicContact OE2-NH2 2.84Å; E92-R117 PolarHBondContact OE2-NH2 2.86Å; A112-R117 CarbonylContact C-O 3.52Å; A112-R117 VanDerWaalsContact CB-O 3.31Å; A112-R117 WeakPolarHBondContact CB-O 3.47Å; A112-R117 CarbonylContact O-C 3.57Å; A112-R117 WeakPolarHBondContact O-CA 3.36Å; A112-R117 PolarHBondContact O-N 2.93Å; L115-R117 PolarHBondContact O-N 2.96Å; R117-G119 PolarHBondContact O-N 3.06Å; R117-A120 HydrophobicContact CB-CB 3.72Å; R117-A120 VanDerWaalsContact O-CB 3.27Å; R117-A120 WeakPolarHBondContact O-CB 3.29Å; R117-A120 PolarHBondContact O-N 3.39Å
118P92.7Very high95.6Very high89 Ų8956.2 Ų56.258%0.57834%0.335SS*.G310 helixtrans-53.2-30.1-172.419.3-32.7000115.1E113 A120E113-P118 HydrophobicContact CG-CB 3.86Å; P118-A120 VanDerWaalsContact C-N 3.33Å; P118-A120 PolarHBondContact O-N 2.89Å
119G94.2Very high95.6Very high81 Ų8156.1 Ų56.184%0.83535%0.347SS*.G310 helixtrans-81-1.5176.800000115.7R117R117-G119 PolarHBondContact O-N 3.06Å
120A95.1Very high95.7Very high21 Ų2156.6 Ų56.617%0.17435%0.346CS..G310 helixtrans-94.914.2-170.100000114.6A112 R117 P118 R122 A123 V124A112-A120 HydrophobicContact CB-CB 4.49Å; R117-A120 HydrophobicContact CB-CB 3.72Å; R117-A120 VanDerWaalsContact O-CB 3.27Å; R117-A120 WeakPolarHBondContact O-CB 3.29Å; R117-A120 PolarHBondContact O-N 3.39Å; P118-A120 VanDerWaalsContact C-N 3.33Å; P118-A120 PolarHBondContact O-N 2.89Å; A120-R122 VanDerWaalsContact C-N 3.25Å; A120-R122 PolarHBondContact O-N 2.95Å; A120-R122 VanDerWaalsContact O-N 3.11Å; A120-A123 HydrophobicContact CB-CB 4.45Å; A120-A123 WeakPolarHBondContact O-CA 3.46Å; A120-A123 WeakPolarHBondContact O-CB 3.31Å; A120-A123 PolarHBondContact O-N 3.38Å; A120-V124 HydrophobicContact CB-CG2 4.49Å; A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 3.18Å
121A94.1Very high95.8Very high34 Ų3452.4 Ų52.428%0.28133%0.326SS..Hα-helixtrans-51.5-40.1-175.500000113.8V124 G125A121-V124 PolarHBondContact O-N 2.85Å; A121-G125 PolarHBondContact O-N 3.32Å
122R94.2Very high95.9Very high233 Ų23352.5 Ų52.588%0.87933%0.327SS*.Hα-helixtrans-66.6-41.6176.3-173.4177.1-179.51770.6112.5A120 G125 A126A120-R122 VanDerWaalsContact C-N 3.25Å; A120-R122 PolarHBondContact O-N 2.95Å; A120-R122 VanDerWaalsContact O-N 3.11Å; R122-G125 PolarHBondContact O-N 2.92Å; R122-A126 PolarHBondContact O-N 2.61Å
123A96.3Very high95.9Very high46 Ų4652.5 Ų52.538%0.3833%0.327SS..Hα-helixtrans-68.2-40177.300000111.3F89 A120 G125 A126 A127F89-A123 HydrophobicContact CE1-CB 3.77Å; F89-A123 HydrophobicContact CZ-CB 3.96Å; A120-A123 HydrophobicContact CB-CB 4.45Å; A120-A123 WeakPolarHBondContact O-CA 3.46Å; A120-A123 WeakPolarHBondContact O-CB 3.31Å; A120-A123 PolarHBondContact O-N 3.38Å; A123-G125 VanDerWaalsContact C-N 3.32Å; A123-G125 PolarHBondContact O-N 2.76Å; A123-A126 PolarHBondContact O-N 3.22Å; A123-A127 PolarHBondContact O-N 3.04Å
124V96.8Very high96Very high0 Ų046.5 Ų46.50%030%0.299CS..Hα-helixtrans-59.7-43.9171.5173.20000110.6F89 V93 Y108 L111 A112 L115 A120 A121 A126 A127 N128F89-V124 HydrophobicContact CZ-CG2 3.94Å; V93-V124 HydrophobicContact CG1-CG1 4.32Å; V93-V124 HydrophobicContact CG2-CG2 4.36Å; Y108-V124 HydrophobicContact CD1-CG1 4.3Å; L111-V124 HydrophobicContact CB-CG1 4.07Å; L111-V124 HydrophobicContact CD2-CG1 3.41Å; L111-V124 VanDerWaalsContact CD2-CG1 3.41Å; L111-V124 HydrophobicContact CG-CG1 3.67Å; A112-V124 HydrophobicContact CB-CG2 3.93Å; L115-V124 HydrophobicContact CD1-CG2 3.81Å; A120-V124 HydrophobicContact CB-CG2 4.49Å; A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 3.18Å; A121-V124 PolarHBondContact O-N 2.85Å; V124-A126 PolarHBondContact O-N 3Å; V124-A127 PolarHBondContact O-N 3.21Å; V124-N128 WeakPolarHBondContact O-CB 3.49Å; V124-N128 PolarHBondContact O-N 2.91Å
125G95Very high96Very high22 Ų2241.7 Ų41.723%0.22728%0.277CS..Hα-helixtrans-58.3-44.8174.600000113.1A121 R122 A123 N128 G129A121-G125 PolarHBondContact O-N 3.32Å; R122-G125 PolarHBondContact O-N 2.92Å; A123-G125 VanDerWaalsContact C-N 3.32Å; A123-G125 PolarHBondContact O-N 2.76Å; G125-N128 PolarHBondContact O-N 3.28Å; G125-G129 PolarHBondContact O-N 3.15Å
126A95.6Very high96.1Very high62 Ų6241 Ų4151%0.51227%0.273SS..Hα-helixtrans-62.5-45.6174.700000111.9R122 A123 V124 N128 G129 S130R122-A126 PolarHBondContact O-N 2.61Å; A123-A126 PolarHBondContact O-N 3.22Å; V124-A126 PolarHBondContact O-N 3Å; A126-N128 PolarHBondContact O-N 3.33Å; A126-G129 CarbonylContact O-C 3.48Å; A126-G129 PolarHBondContact O-N 2.92Å; A126-S130 PolarHBondContact O-N 2.81Å; A126-S130 PolarHBondContact O-OG 3.04Å; A126-S130 VanDerWaalsContact O-OG 3.13Å
127A96.7Very high96.2Very high3 Ų338.1 Ų38.13%0.02524%0.242CC..Hα-helixtrans-63.2-40.717700000112.7F89 Q90 V93 W94 A123 V124 G129 S130 N131F89-A127 HydrophobicContact CD1-CB 4.44Å; F89-A127 HydrophobicContact CE1-CB 4.11Å; Q90-A127 HydrophobicContact CG-CB 3.96Å; V93-A127 HydrophobicContact CB-CB 3.97Å; V93-A127 HydrophobicContact CG1-CB 3.96Å; V93-A127 HydrophobicContact CG2-CB 3.84Å; W94-A127 PolarHBondContact NE1-O 3.26Å; A123-A127 PolarHBondContact O-N 3.04Å; V124-A127 PolarHBondContact O-N 3.21Å; A127-G129 VanDerWaalsContact C-N 3.33Å; A127-G129 PolarHBondContact O-N 3.09Å; A127-S130 PolarHBondContact O-N 2.94Å; A127-S130 VanDerWaalsContact O-N 3.14Å; A127-N131 PolarHBondContact O-N 2.82Å
128N96.4Very high96.2Very high8 Ų832.6 Ų32.64%0.04322%0.222CC..Hα-helixtrans-59.7-45.3173.6-170.661.9000110.9L97 Y108 V124 G125 A126 S130 N131 C139L97-N128 VanDerWaalsContact CD1-OD1 3.3Å; L97-N128 WeakPolarHBondContact CD1-OD1 3.41Å; Y108-N128 HydrophobicContact CE1-CB 4.07Å; Y108-N128 PolarHBondContact OH-ND2 3.32Å; V124-N128 WeakPolarHBondContact O-CB 3.49Å; V124-N128 PolarHBondContact O-N 2.91Å; G125-N128 PolarHBondContact O-N 3.28Å; A126-N128 PolarHBondContact O-N 3.33Å; N128-S130 PolarHBondContact O-N 2.7Å; N128-N131 VanDerWaalsContact O-CB 3.31Å; N128-N131 WeakPolarHBondContact O-CB 3.21Å; N128-N131 PolarHBondContact O-N 3.13Å; N128-C139 PolarHBondContact ND2-O 3.33Å; N128-C139 WeakPolarHBondContact OD1-CA 3.17Å; N128-C139 WeakPolarHBondContact OD1-CB 3.36Å
129G95.1Very high96.4Very high41 Ų4128.6 Ų28.642%0.42320%0.196SC..Hα-helixtrans-68.8-13176.200000114.7R37 G125 A126 A127R37-G129 PolarHBondContact NH2-O 3.13Å; G125-G129 PolarHBondContact O-N 3.15Å; A126-G129 CarbonylContact O-C 3.48Å; A126-G129 PolarHBondContact O-N 2.92Å; A127-G129 VanDerWaalsContact C-N 3.33Å; A127-G129 PolarHBondContact O-N 3.09Å
130S96.2Very high96.5Very high36 Ų3624.8 Ų24.825%0.25216%0.156SC..THydrogen-bonded Turntrans-100.46.2173-57.40000113.6W94 A126 A127 N128 P132W94-S130 VanDerWaalsContact CZ2-O 3.31Å; W94-S130 WeakPolarHBondContact CZ2-O 3.46Å; A126-S130 PolarHBondContact O-N 2.81Å; A126-S130 PolarHBondContact O-OG 3.04Å; A126-S130 VanDerWaalsContact O-OG 3.13Å; A127-S130 PolarHBondContact O-N 2.94Å; A127-S130 VanDerWaalsContact O-N 3.14Å; N128-S130 PolarHBondContact O-N 2.7Å; S130-P132 WeakPolarHBondContact O-CD 3.08Å
131N97.6Very high96.5Very high1 Ų123.8 Ų23.81%0.00515%0.148CC..  trans-60.3124.6176176.627000110.6R37 A127 N128 I133 V137 C139R37-N131 PolarHBondContact NH1-O 3.32Å; R37-N131 PolarHBondContact NH2-O 3Å; A127-N131 PolarHBondContact O-N 2.82Å; N128-N131 VanDerWaalsContact O-CB 3.31Å; N128-N131 WeakPolarHBondContact O-CB 3.21Å; N128-N131 PolarHBondContact O-N 3.13Å; N131-I133 PolarHBondContact ND2-O 3.42Å; N131-I133 VanDerWaalsContact ND2-O 3.13Å; N131-I133 PolarHBondContact OD1-N 2.72Å; N131-V137 WeakPolarHBondContact ND2-CB 3.24Å; N131-V137 PolarHBondContact ND2-O 3.46Å; N131-V137 WeakPolarHBondContact OD1-CB 3.41Å; N131-C139 HydrophobicContact CB-CB 4.19Å; N131-C139 PolarHBondContact ND2-SG 2.98Å
132P97.7Very high96.6Very high2 Ų222.1 Ų22.11%0.01314%0.135CC..SBendtrans-89.7-11176.134.8-33.5000113.5A28 V29 L41 T84 S130A28-P132 CarbonylContact C-O 3.57Å; A28-P132 WeakPolarHBondContact CA-O 3.35Å; V29-P132 PolarHBondContact N-O 2.82Å; L41-P132 HydrophobicContact CB-CB 4.31Å; L41-P132 HydrophobicContact CD1-CB 4.04Å; T84-P132 HydrophobicContact CG2-CG 4.04Å; S130-P132 WeakPolarHBondContact O-CD 3.08Å
133I98.3Very high96.6Very high0 Ų011 Ų110%09%0.093CC..BIsolated β-bridgetrans-114.773.9-174.3-44.4-177.4000109.4L26 V29 T82 T84 N131 V136 V137L26-I133 HydrophobicContact CB-CD1 4.11Å; L26-I133 HydrophobicContact CB-CG2 4.04Å; L26-I133 HydrophobicContact CD1-CG2 4.18Å; L26-I133 VanDerWaalsContact O-CD1 3.23Å; L26-I133 WeakPolarHBondContact O-CD1 3.37Å; V29-I133 HydrophobicContact CB-CG2 4.06Å; V29-I133 HydrophobicContact CG2-CG2 3.73Å; T82-I133 HydrophobicContact CG2-CD1 3.64Å; T82-I133 HydrophobicContact CG2-CG2 4.13Å; T84-I133 HydrophobicContact CG2-CD1 3.48Å; T84-I133 VanDerWaalsContact CG2-CD1 3.48Å; T84-I133 HydrophobicContact CG2-CG1 3.97Å; N131-I133 PolarHBondContact ND2-O 3.42Å; N131-I133 VanDerWaalsContact ND2-O 3.13Å; N131-I133 PolarHBondContact OD1-N 2.72Å; I133-V136 HydrophobicContact CG2-CB 3.8Å; I133-V136 HydrophobicContact CG2-CG1 4.43Å; I133-V136 HydrophobicContact CG2-CG2 4.34Å; I133-V137 HydrophobicContact CB-CB 4.38Å; I133-V137 HydrophobicContact CB-CG2 4Å; I133-V137 WeakPolarHBondContact O-CB 3.27Å; I133-V137 PolarHBondContact O-N 3.21Å
134S97.6Very high96.3Very high0 Ų09.2 Ų9.20%08%0.079CC..THydrogen-bonded Turntrans-55153.3177.3-67.90000111.8V29 V136V29-S134 WeakPolarHBondContact CB-O 3.28Å; V29-S134 WeakPolarHBondContact CG1-O 3.45Å; V29-S134 WeakPolarHBondContact O-CB 3.38Å; V29-S134 PolarHBondContact O-N 2.54Å; V29-S134 PolarHBondContact O-OG 2.82Å; S134-V136 PolarHBondContact O-N 2.95Å
135I97.7Very high95.7Very high0 Ų019.7 Ų19.70%012%0.118CC..THydrogen-bonded Turntrans68.1-57.8-178.3-55.1170.8000112.9L16 W31 Y69 F70 I77 L162L16-I135 HydrophobicContact CD2-CD1 4.17Å; W31-I135 HydrophobicContact CH2-CD1 3.89Å; W31-I135 HydrophobicContact CZ2-CD1 3.88Å; W31-I135 HydrophobicContact CZ2-CG1 4.35Å; Y69-I135 HydrophobicContact CD1-CG2 3.83Å; Y69-I135 HydrophobicContact CD2-CG2 4.47Å; Y69-I135 HydrophobicContact CE1-CD1 4.44Å; Y69-I135 HydrophobicContact CE1-CG2 3.47Å; Y69-I135 VanDerWaalsContact CE1-CG2 3.47Å; Y69-I135 HydrophobicContact CE2-CG2 4.14Å; Y69-I135 HydrophobicContact CG-CG2 4.32Å; F70-I135 HydrophobicContact CE1-CD1 4.33Å; F70-I135 HydrophobicContact CE2-CD1 4.16Å; F70-I135 HydrophobicContact CZ-CD1 3.52Å; I77-I135 HydrophobicContact CD1-CG2 4.19Å; I77-I135 WeakPolarHBondContact CD1-O 3.3Å; I77-I135 HydrophobicContact CG2-CG2 4.1Å; I135-L162 HydrophobicContact CD1-CD2 4.18Å; I135-L162 HydrophobicContact CG1-CD1 4.26Å; I135-L162 HydrophobicContact CG1-CD2 4.13Å
136V98.4Very high95.1Very high1 Ų125.5 Ų25.51%0.00614%0.144CC..THydrogen-bonded Turntrans-72-40.1-175.7-175.80000112.5L26 V29 L66 I77 L80 T82 I133 S134 P138L26-V136 HydrophobicContact CD1-CB 4.18Å; L26-V136 HydrophobicContact CD1-CG1 3.97Å; L26-V136 HydrophobicContact CD1-CG2 3.77Å; V29-V136 HydrophobicContact CG2-CG2 4.45Å; L66-V136 HydrophobicContact CD2-CG2 4Å; I77-V136 HydrophobicContact CB-CG2 4.49Å; I77-V136 HydrophobicContact CG2-CG2 4.38Å; L80-V136 HydrophobicContact CB-CG1 3.71Å; L80-V136 HydrophobicContact CD1-CG1 4.29Å; L80-V136 HydrophobicContact CD1-CG2 3.63Å; T82-V136 HydrophobicContact CG2-CG1 3.76Å; I133-V136 HydrophobicContact CG2-CB 3.8Å; I133-V136 HydrophobicContact CG2-CG1 4.43Å; I133-V136 HydrophobicContact CG2-CG2 4.34Å; S134-V136 PolarHBondContact O-N 2.95Å; V136-P138 WeakPolarHBondContact O-CD 3.45Å
137V98Very high94.3Very high2 Ų224 Ų241%0.01214%0.135CC..SBendtrans-95.1103.9159.1176.10000105T82 W94 L97 R98 N131 I133 C139T82-V137 HydrophobicContact CG2-CG2 4.23Å; W94-V137 HydrophobicContact CB-CG1 3.81Å; W94-V137 HydrophobicContact CG-CG1 4.17Å; L97-V137 HydrophobicContact CB-CG1 3.99Å; L97-V137 HydrophobicContact CD1-CG1 3.73Å; L97-V137 HydrophobicContact CG-CG1 4.49Å; R98-V137 HydrophobicContact CG-CG2 4.29Å; N131-V137 WeakPolarHBondContact ND2-CB 3.24Å; N131-V137 PolarHBondContact ND2-O 3.46Å; N131-V137 WeakPolarHBondContact OD1-CB 3.41Å; I133-V137 HydrophobicContact CB-CB 4.38Å; I133-V137 HydrophobicContact CB-CG2 4Å; I133-V137 WeakPolarHBondContact O-CB 3.27Å; I133-V137 PolarHBondContact O-N 3.21Å; V137-C139 PolarHBondContact O-N 3.42Å
138P97Very high93.5Very high2 Ų227.3 Ų27.31%0.01316%0.155CC..  trans-81.565-158.934-39.5000112.5L97 V136 H140 R141L97-P138 HydrophobicContact CB-CG 4.45Å; L97-P138 WeakPolarHBondContact O-CG 3.34Å; V136-P138 WeakPolarHBondContact O-CD 3.45Å; P138-H140 PolarHBondContact O-N 2.97Å; P138-R141 HydrophobicContact CB-CB 4.49Å; P138-R141 HydrophobicContact CB-CG 3.93Å; P138-R141 WeakPolarHBondContact O-CB 3.45Å; P138-R141 PolarHBondContact O-N 3.35Å
139C96.4Very high92.8Very high6 Ų628.5 Ų28.54%0.04116%0.161CC..G310 helixtrans-64.2-18.8179.358.70000113.6L97 N128 N131 V137 R141L97-C139 HydrophobicContact CD1-CB 4.21Å; N128-C139 PolarHBondContact ND2-O 3.33Å; N128-C139 WeakPolarHBondContact OD1-CA 3.17Å; N128-C139 WeakPolarHBondContact OD1-CB 3.36Å; N131-C139 HydrophobicContact CB-CB 4.19Å; N131-C139 PolarHBondContact ND2-SG 2.98Å; V137-C139 PolarHBondContact O-N 3.42Å; C139-R141 VanDerWaalsContact C-N 3.29Å
140H96Very high91.9Very high0 Ų029.8 Ų29.80%016%0.16CC..G310 helixtrans-70.9-21.9173.158.8-74.9000113P138 V142 Y152 K159 L162 E166P138-H140 PolarHBondContact O-N 2.97Å; H140-V142 PolarHBondContact O-N 3.28Å; H140-Y152 HydrophobicContact CB-CD2 4Å; H140-Y152 HydrophobicContact CB-CE2 3.79Å; H140-K159 HydrophobicContact CB-CG 3.87Å; H140-K159 WeakPolarHBondContact O-CE 3.1Å; H140-L162 HydrophobicContact CB-CD1 4.08Å; H140-E166 IonicContact CD2-OE1 3.93Å; H140-E166 IonicContact CD2-OE2 2.67Å; H140-E166 IonicContact CE1-OE1 2.95Å; H140-E166 VanDerWaalsContact NE2-CD 3.34Å; H140-E166 IonicContact NE2-OE1 3.7Å; H140-E166 PolarHBondContact NE2-OE1 2.83Å; H140-E166 IonicContact NE2-OE2 3.22Å; H140-E166 PolarHBondContact NE2-OE2 2.91Å
141R96.1Very high91.1Very high0 Ų030.1 Ų30.10%017%0.17CC..G310 helixtrans-75.7-5.4177.3-61.8-179.5-169.2152.56113.9I100 C102 V105 M106 P138 C139 L163 E166I100-R141 HydrophobicContact CB-CB 4.46Å; I100-R141 HydrophobicContact CD1-CB 4.43Å; I100-R141 HydrophobicContact CG2-CB 3.85Å; I100-R141 HydrophobicContact CG2-CG 4.43Å; I100-R141 PolarHBondContact O-NH1 3.14Å; C102-R141 PolarHBondContact SG-NH2 3.22Å; V105-R141 CarbonylContact C-O 3.56Å; V105-R141 WeakPolarHBondContact CA-O 3.32Å; V105-R141 WeakPolarHBondContact CB-O 3.2Å; M106-R141 PolarHBondContact N-O 3.49Å; P138-R141 HydrophobicContact CB-CB 4.49Å; P138-R141 HydrophobicContact CB-CG 3.93Å; P138-R141 WeakPolarHBondContact O-CB 3.45Å; P138-R141 PolarHBondContact O-N 3.35Å; C139-R141 VanDerWaalsContact C-N 3.29Å; R141-L163 HydrophobicContact CG-CD2 4.36Å; R141-E166 IonicContact CZ-OE1 3.59Å; R141-E166 IonicContact CZ-OE2 3.43Å; R141-E166 IonicContact NE-OE1 3.52Å; R141-E166 IonicContact NE-OE2 2.75Å; R141-E166 PolarHBondContact NE-OE2 2.82Å; R141-E166 IonicContact NH2-OE1 2.77Å; R141-E166 PolarHBondContact NH2-OE1 2.66Å; R141-E166 IonicContact NH2-OE2 3.28Å; R141-E166 PolarHBondContact NH2-OE2 3.03Å
142V95.6Very high90.6Very high0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-96.8123.2177.9-168.50000111.3L97 I100 M106 Y108 L111 H140 K159L97-V142 HydrophobicContact CD2-CG2 3.28Å; I100-V142 HydrophobicContact CD1-CG2 4.1Å; M106-V142 CarbonylContact O-C 3.53Å; M106-V142 WeakPolarHBondContact O-CA 3.32Å; M106-V142 WeakPolarHBondContact O-CG1 3.35Å; Y108-V142 HydrophobicContact CD1-CG1 3.43Å; Y108-V142 VanDerWaalsContact CD1-CG1 3.43Å; Y108-V142 HydrophobicContact CD2-CG1 4.08Å; Y108-V142 HydrophobicContact CE1-CB 4.17Å; Y108-V142 HydrophobicContact CE1-CG1 3.4Å; Y108-V142 VanDerWaalsContact CE1-CG1 3.4Å; Y108-V142 HydrophobicContact CE2-CG1 4.08Å; Y108-V142 HydrophobicContact CG-CG1 3.78Å; L111-V142 HydrophobicContact CD2-CG2 4.03Å; H140-V142 PolarHBondContact O-N 3.28Å; V142-K159 WeakPolarHBondContact O-CE 3.47Å; V142-K159 PolarHBondContact O-NZ 3.18Å
143I93.3Very high89.9Confident0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-125.3168.9-176.166.1175.8000112.6V105 M106 H107 Y108 M149 L163V105-I143 HydrophobicContact CB-CD1 3.96Å; V105-I143 HydrophobicContact CB-CG1 4.21Å; V105-I143 HydrophobicContact CG1-CD1 4.38Å; V105-I143 HydrophobicContact CG1-CG2 4.46Å; V105-I143 HydrophobicContact CG2-CD1 3.62Å; V105-I143 HydrophobicContact CG2-CG1 4.26Å; M106-I143 PolarHBondContact O-N 2.85Å; H107-I143 WeakPolarHBondContact CA-O 3.43Å; H107-I143 WeakPolarHBondContact ND1-CG1 3.11Å; Y108-I143 WeakPolarHBondContact CD2-O 3.24Å; Y108-I143 PolarHBondContact N-O 3.28Å; I143-M149 HydrophobicContact CG2-SD 3.73Å; I143-L163 HydrophobicContact CG2-CD1 4.28Å
144G90.2Very high89.3Confident8 Ų832.4 Ų32.48%0.08218%0.184CC..  trans-66.9157.3173.200000112H107 N146 G147 T148H107-G144 PolarHBondContact CE1-O 3.41Å; H107-G144 PolarHBondContact ND1-O 2.94Å; G144-N146 PolarHBondContact O-N 3.06Å; G144-G147 PolarHBondContact O-N 2.92Å; G144-G147 VanDerWaalsContact O-N 3.09Å; G144-T148 PolarHBondContact N-O 2.86Å
145R85.5Confident89Confident219 Ų21933.4 Ų33.483%0.82619%0.193SC*.THydrogen-bonded Turntrans-57-33.3-175.9-173178.8-176.4-175.32113.8G147R145-G147 VanDerWaalsContact C-N 3.26Å; R145-G147 PolarHBondContact O-N 3.45Å
146N82.4Confident88.7Confident144 Ų14436 Ų3677%0.7721%0.21SC*.THydrogen-bonded Turntrans-94.126.8-178.2-60.9-10.1000112G144 T148G144-N146 PolarHBondContact O-N 3.06Å; N146-T148 HydrophobicContact CB-CG2 4.4Å; N146-T148 PolarHBondContact O-N 2.88Å
147G78.5Confident88.4Confident32 Ų3244 Ų4433%0.3325%0.246SC..SBendtrans72.22.6-173.600000114.3G144 R145 M149G144-G147 PolarHBondContact O-N 2.92Å; G144-G147 VanDerWaalsContact O-N 3.09Å; R145-G147 VanDerWaalsContact C-N 3.26Å; R145-G147 PolarHBondContact O-N 3.45Å; G147-M149 PolarHBondContact O-N 3.22Å
148T79.6Confident88.3Confident72 Ų7245.8 Ų45.844%0.44225%0.253SS..  trans-65.5127.5-174.751.40000111.5G144 N146 T150G144-T148 PolarHBondContact N-O 2.86Å; N146-T148 HydrophobicContact CB-CG2 4.4Å; N146-T148 PolarHBondContact O-N 2.88Å; T148-T150 VanDerWaalsContact C-N 3.29Å; T148-T150 PolarHBondContact O-N 3.41Å
149M81.7Confident88.2Confident33 Ų3345.7 Ų45.716%0.16325%0.253CS..  trans-76.382.5174.6-70.6-63.2-89.300109.7I143 G147 V156 K159 E160 L163 L170I143-M149 HydrophobicContact CG2-SD 3.73Å; G147-M149 PolarHBondContact O-N 3.22Å; M149-V156 HydrophobicContact CB-CG1 3.97Å; M149-K159 HydrophobicContact CE-CB 4.1Å; M149-K159 HydrophobicContact CE-CD 3.64Å; M149-K159 HydrophobicContact CE-CG 3.78Å; M149-K159 HydrophobicContact SD-CD 4.17Å; M149-E160 HydrophobicContact CE-CB 4.15Å; M149-E160 HydrophobicContact CE-CG 3.42Å; M149-E160 VanDerWaalsContact CE-CG 3.42Å; M149-E160 HydrophobicContact CG-CG 4.29Å; M149-L163 HydrophobicContact CE-CD1 3.37Å; M149-L163 HydrophobicContact CE-CG 4.35Å; M149-L163 HydrophobicContact SD-CD1 3.72Å; M149-L170 HydrophobicContact CE-CD1 4.36Å; M149-L170 HydrophobicContact CE-CD2 4.15Å; M149-L170 HydrophobicContact CG-CD2 3.77Å; M149-L170 HydrophobicContact SD-CD2 3.87Å
150T77.1Confident88.1Confident67 Ų6748.8 Ų48.841%0.41127%0.266SS..  trans-106.5127.1177.661.50000110.4T148 K159T148-T150 VanDerWaalsContact C-N 3.29Å; T148-T150 PolarHBondContact O-N 3.41Å; T150-K159 PolarHBondContact O-NZ 3.03Å; T150-K159 VanDerWaalsContact O-NZ 3.09Å
151G79Confident88.1Confident44 Ų4452.7 Ų52.745%0.45428%0.281SS..  trans67.8136.2166.600000114.9K159G151-K159 PolarHBondContact O-NZ 2.84Å
152Y87.1Confident88.2Confident27 Ų2752.7 Ų52.711%0.10628%0.281CS..  trans-169.3138.3164174-115.4000106.4W31 H140 G154 G155 R158 K159 L162W31-Y152 AromaticContact NE1-CE1 3.61Å; W31-Y152 AromaticContact NE1-CZ 3.7Å; W31-Y152 PolarHBondContact NE1-OH 2.89Å; H140-Y152 HydrophobicContact CB-CD2 4Å; H140-Y152 HydrophobicContact CB-CE2 3.79Å; Y152-G154 VanDerWaalsContact CD1-CA 3.49Å; Y152-G154 VanDerWaalsContact CE1-CA 3.45Å; Y152-G154 PolarHBondContact O-N 3.01Å; Y152-G155 VanDerWaalsContact CD1-O 3.3Å; Y152-G155 WeakPolarHBondContact CD1-O 3.41Å; Y152-G155 PolarHBondContact O-N 3.39Å; Y152-R158 HydrophobicContact CD1-CB 4.34Å; Y152-R158 HydrophobicContact CE1-CB 4Å; Y152-K159 HydrophobicContact CD1-CB 4.01Å; Y152-K159 HydrophobicContact CG-CB 3.92Å; Y152-K159 HydrophobicContact CG-CG 4.18Å; Y152-L162 HydrophobicContact CE1-CD1 4.21Å; Y152-L162 WeakPolarHBondContact OH-CD1 3.49Å
153A83.2Confident88.2Confident23 Ų2352.8 Ų52.819%0.1928%0.281CS..THydrogen-bonded Turntrans-57.4-37.8-176.500000112Y34 G155Y34-A153 WeakPolarHBondContact CD1-O 3.31Å; Y34-A153 WeakPolarHBondContact CE1-O 3.14Å; Y34-A153 WeakPolarHBondContact CE2-O 3.18Å; A153-G155 VanDerWaalsContact C-N 3.3Å; A153-G155 PolarHBondContact O-N 3.13Å
154G84.7Confident88.3Confident1 Ų159.3 Ų59.31%0.0131%0.306CS..THydrogen-bonded Turntrans-81.75.9176.500000116.2W31 Y152 R158W31-G154 VanDerWaalsContact CD1-CA 3.4Å; Y152-G154 VanDerWaalsContact CD1-CA 3.49Å; Y152-G154 VanDerWaalsContact CE1-CA 3.45Å; Y152-G154 PolarHBondContact O-N 3.01Å; G154-R158 VanDerWaalsContact O-CD 3.29Å; G154-R158 WeakPolarHBondContact O-CD 3.27Å; G154-R158 WeakPolarHBondContact O-CG 3.37Å; G154-R158 PolarHBondContact O-NH1 3.26Å; G154-R158 VanDerWaalsContact O-NH1 3.11Å
155G92Very high88.6Confident20 Ų2061.4 Ų61.421%0.20631%0.314CS..  trans90.7148.1-177.500000114.9Y152 A153 Q157 R158 K159Y152-G155 VanDerWaalsContact CD1-O 3.3Å; Y152-G155 WeakPolarHBondContact CD1-O 3.41Å; Y152-G155 PolarHBondContact O-N 3.39Å; A153-G155 VanDerWaalsContact C-N 3.3Å; A153-G155 PolarHBondContact O-N 3.13Å; G155-Q157 VanDerWaalsContact C-N 3.31Å; G155-Q157 PolarHBondContact O-N 2.95Å; G155-R158 PolarHBondContact O-N 3.45Å; G155-R158 VanDerWaalsContact O-N 3.17Å; G155-K159 PolarHBondContact O-N 3.04Å; G155-K159 VanDerWaalsContact O-N 3.15Å
156V91.9Very high89.1Confident56 Ų5651.3 Ų51.334%0.33928%0.276SS..Hα-helixtrans-60.8-37.6-172.6176.70000112.6M149 R158 K159 E160M149-V156 HydrophobicContact CB-CG1 3.97Å; V156-R158 PolarHBondContact O-N 2.89Å; V156-K159 WeakPolarHBondContact O-CA 3.37Å; V156-K159 VanDerWaalsContact O-CB 3.25Å; V156-K159 WeakPolarHBondContact O-CB 3.42Å; V156-K159 PolarHBondContact O-N 3.5Å; V156-K159 VanDerWaalsContact O-N 3.1Å; V156-E160 HydrophobicContact CG1-CG 4.32Å; V156-E160 WeakPolarHBondContact O-CG 3.13Å; V156-E160 PolarHBondContact O-N 2.97Å
157Q92.2Very high89.7Confident167 Ų16747.1 Ų47.178%0.7827%0.267SS*.Hα-helixtrans-59.9-42.8177.3-67.8177.1-5.200112.5G155 K159 E160 W161G155-Q157 VanDerWaalsContact C-N 3.31Å; G155-Q157 PolarHBondContact O-N 2.95Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; Q157-E160 PolarHBondContact O-N 2.82Å; Q157-W161 PolarHBondContact O-N 3.21Å
158R95.3Very high90.3Very high41 Ų4148.1 Ų48.116%0.15526%0.261CS..Hα-helixtrans-65-39.7174.3-72.1-166.8178.897.8-2.6111.5L13 E33 Y152 G154 G155 V156 E160 W161 L162L13-R158 HydrophobicContact CB-CG 4.46Å; L13-R158 HydrophobicContact CD1-CB 4.17Å; L13-R158 HydrophobicContact CD1-CG 4.18Å; L13-R158 HydrophobicContact CD2-CG 4.32Å; L13-R158 PolarHBondContact O-NE 3.45Å; L13-R158 PolarHBondContact O-NH2 2.97Å; E33-R158 IonicContact OE1-CZ 3.94Å; E33-R158 IonicContact OE1-NH2 3.59Å; E33-R158 PolarHBondContact OE1-NH2 2.7Å; E33-R158 IonicContact OE2-CZ 3.32Å; E33-R158 IonicContact OE2-NH1 2.83Å; E33-R158 IonicContact OE2-NH2 3.96Å; E33-R158 PolarHBondContact OE2-NH2 2.65Å; Y152-R158 HydrophobicContact CD1-CB 4.34Å; Y152-R158 HydrophobicContact CE1-CB 4Å; G154-R158 VanDerWaalsContact O-CD 3.29Å; G154-R158 WeakPolarHBondContact O-CD 3.27Å; G154-R158 WeakPolarHBondContact O-CG 3.37Å; G154-R158 PolarHBondContact O-NH1 3.26Å; G154-R158 VanDerWaalsContact O-NH1 3.11Å; G155-R158 PolarHBondContact O-N 3.45Å; G155-R158 VanDerWaalsContact O-N 3.17Å; V156-R158 PolarHBondContact O-N 2.89Å; R158-E160 VanDerWaalsContact C-N 3.34Å; R158-E160 PolarHBondContact O-N 3.45Å; R158-W161 PolarHBondContact O-N 3.49Å; R158-L162 WeakPolarHBondContact O-CB 3.33Å; R158-L162 VanDerWaalsContact O-CG 3.27Å; R158-L162 WeakPolarHBondContact O-CG 3.27Å; R158-L162 PolarHBondContact O-N 2.98Å
159K95.4Very high90Very high0 Ų051.1 Ų51.10%027%0.274CS..Hα-helixtrans-57.7-47.6175.5-164.6-166.4-172.1162.50111.3H140 V142 M149 T150 G151 Y152 G155 V156 Q157 L162 L163H140-K159 HydrophobicContact CB-CG 3.87Å; H140-K159 WeakPolarHBondContact O-CE 3.1Å; V142-K159 WeakPolarHBondContact O-CE 3.47Å; V142-K159 PolarHBondContact O-NZ 3.18Å; M149-K159 HydrophobicContact CE-CB 4.1Å; M149-K159 HydrophobicContact CE-CD 3.64Å; M149-K159 HydrophobicContact CE-CG 3.78Å; M149-K159 HydrophobicContact SD-CD 4.17Å; T150-K159 PolarHBondContact O-NZ 3.03Å; T150-K159 VanDerWaalsContact O-NZ 3.09Å; G151-K159 PolarHBondContact O-NZ 2.84Å; Y152-K159 HydrophobicContact CD1-CB 4.01Å; Y152-K159 HydrophobicContact CG-CB 3.92Å; Y152-K159 HydrophobicContact CG-CG 4.18Å; G155-K159 PolarHBondContact O-N 3.04Å; G155-K159 VanDerWaalsContact O-N 3.15Å; V156-K159 WeakPolarHBondContact O-CA 3.37Å; V156-K159 VanDerWaalsContact O-CB 3.25Å; V156-K159 WeakPolarHBondContact O-CB 3.42Å; V156-K159 PolarHBondContact O-N 3.5Å; V156-K159 VanDerWaalsContact O-N 3.1Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; K159-L162 PolarHBondContact O-N 3Å; K159-L163 WeakPolarHBondContact O-CG 3.45Å; K159-L163 PolarHBondContact O-N 2.69Å
160E94.2Very high89Confident70 Ų7051.1 Ų51.133%0.32727%0.274SS..Hα-helixtrans-62.1-44.2177.9-69.6177.4179.100111.9M149 V156 Q157 R158 L163 R164 L170M149-E160 HydrophobicContact CE-CB 4.15Å; M149-E160 HydrophobicContact CE-CG 3.42Å; M149-E160 VanDerWaalsContact CE-CG 3.42Å; M149-E160 HydrophobicContact CG-CG 4.29Å; V156-E160 HydrophobicContact CG1-CG 4.32Å; V156-E160 WeakPolarHBondContact O-CG 3.13Å; V156-E160 PolarHBondContact O-N 2.97Å; Q157-E160 PolarHBondContact O-N 2.82Å; R158-E160 VanDerWaalsContact C-N 3.34Å; R158-E160 PolarHBondContact O-N 3.45Å; E160-L163 PolarHBondContact O-N 3.04Å; E160-R164 WeakPolarHBondContact O-CB 3.39Å; E160-R164 WeakPolarHBondContact O-CG 3.38Å; E160-R164 PolarHBondContact O-N 2.87Å; E160-L170 HydrophobicContact CB-CD1 3.71Å; E160-L170 HydrophobicContact CG-CD1 3.65Å
161W95.6Very high88Confident83 Ų8359 Ų5931%0.31431%0.313SS..Hα-helixtrans-60.8-47176.4-170.8101.6000111.7P12 L13 F70 Q157 R158 L163 R164 H165P12-W161 HydrophobicContact CB-CH2 4.15Å; P12-W161 HydrophobicContact CB-CZ2 3.81Å; P12-W161 HydrophobicContact CG-CH2 4.3Å; P12-W161 HydrophobicContact CG-CZ2 4.35Å; L13-W161 HydrophobicContact CD1-CB 4.23Å; L13-W161 HydrophobicContact CD1-CD2 3.85Å; L13-W161 HydrophobicContact CD1-CE3 3.42Å; L13-W161 VanDerWaalsContact CD1-CE3 3.42Å; L13-W161 HydrophobicContact CD1-CG 4.21Å; L13-W161 HydrophobicContact CD1-CZ3 4.1Å; L13-W161 HydrophobicContact CD2-CB 3.84Å; L13-W161 HydrophobicContact CD2-CD2 3.71Å; L13-W161 HydrophobicContact CD2-CE3 4.19Å; L13-W161 HydrophobicContact CD2-CG 3.54Å; L13-W161 HydrophobicContact CG-CD2 3.81Å; L13-W161 HydrophobicContact CG-CE3 3.78Å; L13-W161 HydrophobicContact CG-CG 4.16Å; L13-W161 HydrophobicContact CG-CZ3 4.31Å; F70-W161 AromaticContact CD1-CH2 3.97Å; F70-W161 HydrophobicContact CD1-CH2 3.97Å; F70-W161 AromaticContact CD1-CZ3 3.9Å; F70-W161 HydrophobicContact CD1-CZ3 3.9Å; F70-W161 HydrophobicContact CE1-CH2 4.48Å; F70-W161 HydrophobicContact CE1-CZ3 4.02Å; Q157-W161 PolarHBondContact O-N 3.21Å; R158-W161 PolarHBondContact O-N 3.49Å; W161-L163 VanDerWaalsContact C-N 3.35Å; W161-L163 PolarHBondContact O-N 2.85Å; W161-R164 PolarHBondContact O-N 2.64Å; W161-H165 HydrophobicContact CD2-CB 4.48Å; W161-H165 HydrophobicContact CE3-CB 3.85Å; W161-H165 HydrophobicContact CH2-CB 3.94Å; W161-H165 AromaticContact CH2-CG 3.66Å; W161-H165 AromaticContact CH2-ND1 3.66Å; W161-H165 HydrophobicContact CZ3-CB 3.55Å; W161-H165 AromaticContact CZ3-CD2 3.94Å; W161-H165 AromaticContact CZ3-CG 3.57Å; W161-H165 WeakPolarHBondContact O-CB 3.48Å; W161-H165 PolarHBondContact O-N 2.87Å
162L96.7Very high88.5Confident0 Ų059.8 Ų59.80%031%0.306CS..Hα-helixtrans-60.8-43.7179.1-71168.5000111.7L13 W31 Y69 F70 I135 H140 Y152 R158 K159 H165 E166L13-L162 HydrophobicContact CD1-CD2 4.06Å; L13-L162 HydrophobicContact CD1-CG 4.02Å; W31-L162 HydrophobicContact CZ2-CD1 4.28Å; Y69-L162 HydrophobicContact CE1-CD2 4.06Å; F70-L162 HydrophobicContact CE1-CD2 4.33Å; I135-L162 HydrophobicContact CD1-CD2 4.18Å; I135-L162 HydrophobicContact CG1-CD1 4.26Å; I135-L162 HydrophobicContact CG1-CD2 4.13Å; H140-L162 HydrophobicContact CB-CD1 4.08Å; Y152-L162 HydrophobicContact CE1-CD1 4.21Å; Y152-L162 WeakPolarHBondContact OH-CD1 3.49Å; R158-L162 WeakPolarHBondContact O-CB 3.33Å; R158-L162 VanDerWaalsContact O-CG 3.27Å; R158-L162 WeakPolarHBondContact O-CG 3.27Å; R158-L162 PolarHBondContact O-N 2.98Å; K159-L162 PolarHBondContact O-N 3Å; L162-H165 PolarHBondContact O-N 2.86Å; L162-E166 WeakPolarHBondContact O-CB 3.33Å; L162-E166 VanDerWaalsContact O-CG 3.31Å; L162-E166 WeakPolarHBondContact O-CG 3.23Å; L162-E166 PolarHBondContact O-N 2.71Å
163L95.8Very high88.6Confident1 Ų161.5 Ų61.51%0.00532%0.316CS..Hα-helixtrans-62.1-45176.2-74.7-175.7000111.8V105 R141 I143 M149 K159 E160 W161 E166 G167 Y168V105-L163 HydrophobicContact CG1-CD1 4.28Å; V105-L163 HydrophobicContact CG1-CD2 3.8Å; R141-L163 HydrophobicContact CG-CD2 4.36Å; I143-L163 HydrophobicContact CG2-CD1 4.28Å; M149-L163 HydrophobicContact CE-CD1 3.37Å; M149-L163 HydrophobicContact CE-CG 4.35Å; M149-L163 HydrophobicContact SD-CD1 3.72Å; K159-L163 WeakPolarHBondContact O-CG 3.45Å; K159-L163 PolarHBondContact O-N 2.69Å; E160-L163 PolarHBondContact O-N 3.04Å; W161-L163 VanDerWaalsContact C-N 3.35Å; W161-L163 PolarHBondContact O-N 2.85Å; L163-E166 CarbonylContact O-C 3.53Å; L163-E166 PolarHBondContact O-N 3.22Å; L163-G167 PolarHBondContact O-N 2.89Å; L163-Y168 HydrophobicContact CB-CD1 3.97Å; L163-Y168 HydrophobicContact CB-CG 4.46Å; L163-Y168 HydrophobicContact CD1-CD1 3.9Å; L163-Y168 HydrophobicContact CD1-CE1 4.21Å; L163-Y168 HydrophobicContact CG-CD1 4.38Å; L163-Y168 WeakPolarHBondContact O-CB 3.15Å; L163-Y168 PolarHBondContact O-N 2.84Å
164R95.3Very high88.9Confident138 Ų13863.7 Ų63.752%0.52132%0.323SS..Hα-helixtrans-63.5-43.1176.9-72.7178.7-176.1-81-1.4112.1E160 W161 E166 G167 L170E160-R164 WeakPolarHBondContact O-CB 3.39Å; E160-R164 WeakPolarHBondContact O-CG 3.38Å; E160-R164 PolarHBondContact O-N 2.87Å; W161-R164 PolarHBondContact O-N 2.64Å; R164-E166 PolarHBondContact O-N 2.67Å; R164-G167 PolarHBondContact O-N 3.18Å; R164-L170 HydrophobicContact CG-CD1 4.36Å
165H97.1Very high89.1Confident51 Ų5167.4 Ų67.424%0.23634%0.342CS..Hα-helixtrans-58.8-36175.1-176.865.6000111.7Y69 F70 L74 W161 L162 G167Y69-H165 PolarHBondContact O-NE2 3.18Å; F70-H165 PolarHBondContact O-CE1 2.85Å; F70-H165 VanDerWaalsContact O-CE1 3.31Å; L74-H165 VanDerWaalsContact CD2-CD2 3.47Å; L74-H165 WeakPolarHBondContact CD2-CD2 3.12Å; L74-H165 WeakPolarHBondContact CD2-NE2 3.29Å; W161-H165 HydrophobicContact CD2-CB 4.48Å; W161-H165 HydrophobicContact CE3-CB 3.85Å; W161-H165 HydrophobicContact CH2-CB 3.94Å; W161-H165 AromaticContact CH2-CG 3.66Å; W161-H165 AromaticContact CH2-ND1 3.66Å; W161-H165 HydrophobicContact CZ3-CB 3.55Å; W161-H165 AromaticContact CZ3-CD2 3.94Å; W161-H165 AromaticContact CZ3-CG 3.57Å; W161-H165 WeakPolarHBondContact O-CB 3.48Å; W161-H165 PolarHBondContact O-N 2.87Å; L162-H165 PolarHBondContact O-N 2.86Å; H165-G167 PolarHBondContact O-N 3.39Å
166E96.9Very high88.9Confident7 Ų770.3 Ų70.33%0.03335%0.35CS..THydrogen-bonded Turntrans-80.12.7175.3-70.1179.117800114.5Y69 L74 G103 H140 R141 L162 L163 R164Y69-E166 HydrophobicContact CE2-CG 4.27Å; Y69-E166 WeakPolarHBondContact OH-CG 3.44Å; Y69-E166 PolarHBondContact OH-OE1 3.17Å; L74-E166 HydrophobicContact CD2-CG 4.28Å; G103-E166 WeakPolarHBondContact CA-O 3.39Å; G103-E166 PolarHBondContact N-O 2.95Å; G103-E166 VanDerWaalsContact N-O 3.16Å; H140-E166 IonicContact CD2-OE1 3.93Å; H140-E166 IonicContact CD2-OE2 2.67Å; H140-E166 IonicContact CE1-OE1 2.95Å; H140-E166 VanDerWaalsContact NE2-CD 3.34Å; H140-E166 IonicContact NE2-OE1 3.7Å; H140-E166 PolarHBondContact NE2-OE1 2.83Å; H140-E166 IonicContact NE2-OE2 3.22Å; H140-E166 PolarHBondContact NE2-OE2 2.91Å; R141-E166 IonicContact CZ-OE1 3.59Å; R141-E166 IonicContact CZ-OE2 3.43Å; R141-E166 IonicContact NE-OE1 3.52Å; R141-E166 IonicContact NE-OE2 2.75Å; R141-E166 PolarHBondContact NE-OE2 2.82Å; R141-E166 IonicContact NH2-OE1 2.77Å; R141-E166 PolarHBondContact NH2-OE1 2.66Å; R141-E166 IonicContact NH2-OE2 3.28Å; R141-E166 PolarHBondContact NH2-OE2 3.03Å; L162-E166 WeakPolarHBondContact O-CB 3.33Å; L162-E166 VanDerWaalsContact O-CG 3.31Å; L162-E166 WeakPolarHBondContact O-CG 3.23Å; L162-E166 PolarHBondContact O-N 2.71Å; L163-E166 CarbonylContact O-C 3.53Å; L163-E166 PolarHBondContact O-N 3.22Å; R164-E166 PolarHBondContact O-N 2.67Å
167G94.4Very high88.7Confident56 Ų5671.3 Ų71.358%0.57735%0.351SS*.THydrogen-bonded Turntrans86.26.5178.600000115L163 R164 H165 L169L163-G167 PolarHBondContact O-N 2.89Å; R164-G167 PolarHBondContact O-N 3.18Å; H165-G167 PolarHBondContact O-N 3.39Å; G167-L169 PolarHBondContact O-N 2.8Å
168Y90.5Very high88.5Confident54 Ų5464.4 Ų64.421%0.21232%0.32CS..  trans-78.5116171.4-178.8-97.9000110.3V105 L163 L170V105-Y168 HydrophobicContact CB-CE2 4.21Å; V105-Y168 HydrophobicContact CG1-CD1 4.12Å; V105-Y168 HydrophobicContact CG1-CD2 3.7Å; V105-Y168 HydrophobicContact CG1-CE1 4.09Å; V105-Y168 HydrophobicContact CG1-CE2 3.7Å; V105-Y168 HydrophobicContact CG1-CG 3.91Å; V105-Y168 HydrophobicContact CG2-CD2 4.16Å; V105-Y168 HydrophobicContact CG2-CE2 3.44Å; V105-Y168 VanDerWaalsContact CG2-CE2 3.44Å; L163-Y168 HydrophobicContact CB-CD1 3.97Å; L163-Y168 HydrophobicContact CB-CG 4.46Å; L163-Y168 HydrophobicContact CD1-CD1 3.9Å; L163-Y168 HydrophobicContact CD1-CE1 4.21Å; L163-Y168 HydrophobicContact CG-CD1 4.38Å; L163-Y168 WeakPolarHBondContact O-CB 3.15Å; L163-Y168 PolarHBondContact O-N 2.84Å; Y168-L170 HydrophobicContact CD1-CD2 4.24Å; Y168-L170 HydrophobicContact CD1-CG 4.24Å; Y168-L170 HydrophobicContact CE1-CD2 3.73Å; Y168-L170 HydrophobicContact CE1-CG 4.14Å; Y168-L170 PolarHBondContact O-N 2.82Å
169L73Confident88Confident135 Ų13566.2 Ų66.271%0.70733%0.333SS*.  trans-83111.1176-66.2171.1000109.6G167 L171G167-L169 PolarHBondContact O-N 2.8Å; L169-L171 PolarHBondContact O-N 2.82Å; L169-L171 VanDerWaalsContact O-N 3.1Å
170L62.1Low87.4Confident32 Ų3271.8 Ų71.817%0.16836%0.36CS..  trans-69.9100162-66.4159.5000107M149 E160 R164 Y168M149-L170 HydrophobicContact CE-CD1 4.36Å; M149-L170 HydrophobicContact CE-CD2 4.15Å; M149-L170 HydrophobicContact CG-CD2 3.77Å; M149-L170 HydrophobicContact SD-CD2 3.87Å; E160-L170 HydrophobicContact CB-CD1 3.71Å; E160-L170 HydrophobicContact CG-CD1 3.65Å; R164-L170 HydrophobicContact CG-CD1 4.36Å; Y168-L170 HydrophobicContact CD1-CD2 4.24Å; Y168-L170 HydrophobicContact CD1-CG 4.24Å; Y168-L170 HydrophobicContact CE1-CD2 3.73Å; Y168-L170 HydrophobicContact CE1-CG 4.14Å; Y168-L170 PolarHBondContact O-N 2.82Å
171L56.7Low86.7Confident234 Ų23471.9 Ų71.9100%1.22536%0.363SS*.  trans-61.80162.9-68.6171.8000109.5L169L169-L171 PolarHBondContact O-N 2.82Å; L169-L171 VanDerWaalsContact O-N 3.1Å

Retrieved 171 of 171 residues in 1406.1 ms (Link to these results)

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