A0A096MTA1_PAPAN Loading...

Elongation factor 1-beta

Catalytic subunit of the guanine nucleotide exchange factor (GEF) (eEF1B subcomplex) of the eukaryotic elongation factor 1 complex (eEF1). Stimulates the exchange of GDP for GTP on elongation factor 1A (eEF1A), probably by displacing GDP from the nucleotide binding pocket in eEF1A.

AlphaFold DB (A0A2K6R7G6), UniProt , Accession A0A096MTA1, Species PAPAN (Papio anubis, Olive baboon), Gene EEF1B2, Length 225 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
1M60.4Low76.3Confident118 Ų11851.2 Ų51.258%0.58130%0.298SS*.  01180-87.3-177.8-158.300109.1G77 P81 A82 V84M1-G77 CarbonylContact O-C 3.35Å; M1-G77 VanDerWaalsContact O-C 3.32Å; M1-G77 WeakPolarHBondContact O-CA 3.36Å; M1-P81 VanDerWaalsContact CA-O 3.28Å; M1-P81 WeakPolarHBondContact CA-O 3.48Å; M1-A82 HydrophobicContact CE-CB 3.67Å; M1-A82 VanDerWaalsContact CG-CA 3.48Å; M1-A82 HydrophobicContact CG-CB 4.33Å; M1-A82 PolarHBondContact N-O 3.39Å; M1-V84 CarbonylContact C-O 3.45Å; M1-V84 WeakPolarHBondContact CA-O 3.43Å; M1-V84 PolarHBondContact N-O 3.27Å
2G73.7Confident77Confident1 Ų148.8 Ų48.81%0.0128%0.283CS..  trans167.4153.7178.400000110.3Y79 V84G2-Y79 CarbonylContact C-O 3.53Å; G2-Y79 WeakPolarHBondContact CA-O 3.22Å; G2-Y79 PolarHBondContact N-O 3.35Å; G2-V84 PolarHBondContact N-O 3.39Å; G2-V84 WeakPolarHBondContact O-CB 3.47Å
3F71.5Confident77.6Confident4 Ų453.7 Ų53.72%0.01830%0.301CS..  trans-81.90.4166.1-62.6-72.6000112.6L6 G11 V14 L15 Y18 I25 V37F3-L6 HydrophobicContact CB-CD1 4.28Å; F3-L6 HydrophobicContact CB-CD2 3.49Å; F3-L6 VanDerWaalsContact CB-CD2 3.49Å; F3-L6 HydrophobicContact CB-CG 3.93Å; F3-L6 HydrophobicContact CG-CD2 4.23Å; F3-G11 WeakPolarHBondContact O-CA 3.21Å; F3-V14 HydrophobicContact CD1-CG1 4.29Å; F3-L15 HydrophobicContact CD1-CB 4.02Å; F3-L15 HydrophobicContact CD1-CD1 3.8Å; F3-L15 HydrophobicContact CD2-CD1 4.45Å; F3-L15 HydrophobicContact CE1-CB 4.47Å; F3-L15 HydrophobicContact CE1-CD1 3.58Å; F3-L15 HydrophobicContact CE2-CD1 4.25Å; F3-L15 HydrophobicContact CG-CD1 4.23Å; F3-L15 HydrophobicContact CZ-CD1 3.82Å; F3-Y18 AromaticContact CE1-CD1 3.57Å; F3-Y18 HydrophobicContact CE1-CD1 3.57Å; F3-Y18 HydrophobicContact CE1-CD2 4.27Å; F3-Y18 HydrophobicContact CE1-CE1 4.25Å; F3-Y18 AromaticContact CE1-CG 3.57Å; F3-Y18 HydrophobicContact CE1-CG 3.57Å; F3-Y18 AromaticContact CZ-CD1 3.54Å; F3-Y18 HydrophobicContact CZ-CD1 3.54Å; F3-Y18 AromaticContact CZ-CE1 3.79Å; F3-Y18 HydrophobicContact CZ-CE1 3.79Å; F3-Y18 AromaticContact CZ-CG 3.98Å; F3-Y18 HydrophobicContact CZ-CG 3.98Å; F3-I25 HydrophobicContact CE2-CD1 3.97Å; F3-I25 HydrophobicContact CE2-CG2 4.06Å; F3-I25 HydrophobicContact CZ-CD1 3.76Å; F3-I25 HydrophobicContact CZ-CG2 4.36Å; F3-V37 HydrophobicContact CD2-CG1 4.41Å; F3-V37 HydrophobicContact CD2-CG2 4.15Å; F3-V37 HydrophobicContact CE2-CG1 4.47Å; F3-V37 HydrophobicContact CE2-CG2 3.91Å
4G74.9Confident78.2Confident17 Ų1752.4 Ų52.418%0.17530%0.295CS..  trans66.2-154.3-17200000112.1L6G4-L6 PolarHBondContact O-N 3.02Å
5D78.1Confident78.7Confident65 Ų6548.9 Ų48.935%0.34828%0.276SS..  trans-72.3100.2175-177.314.9000111.1K7 S8 G11 T88D5-K7 PolarHBondContact O-N 3.29Å; D5-K7 VanDerWaalsContact O-N 3.14Å; D5-K7 WeakPolarHBondContact OD1-CB 3.49Å; D5-K7 PolarHBondContact OD1-N 3Å; D5-S8 WeakPolarHBondContact O-CB 3.41Å; D5-S8 PolarHBondContact O-N 3.04Å; D5-S8 PolarHBondContact O-OG 2.94Å; D5-G11 WeakPolarHBondContact O-CA 3.44Å; D5-T88 HydrophobicContact CB-CG2 4.45Å
6L79.9Confident79.3Confident8 Ų846.8 Ų46.84%0.04226%0.263CS..THydrogen-bonded Turntrans-66.8-6.4177.6-72.5169.6000114.3F3 G4 L12 L15 V37 A40 V41 L76F3-L6 HydrophobicContact CB-CD1 4.28Å; F3-L6 HydrophobicContact CB-CD2 3.49Å; F3-L6 VanDerWaalsContact CB-CD2 3.49Å; F3-L6 HydrophobicContact CB-CG 3.93Å; F3-L6 HydrophobicContact CG-CD2 4.23Å; G4-L6 PolarHBondContact O-N 3.02Å; L6-L12 WeakPolarHBondContact O-CD2 3.36Å; L6-L12 WeakPolarHBondContact O-CG 3.49Å; L6-L15 HydrophobicContact CD2-CB 4.01Å; L6-L15 HydrophobicContact CD2-CD2 3.91Å; L6-L15 HydrophobicContact CD2-CG 4.44Å; L6-V37 HydrophobicContact CD1-CG1 3.78Å; L6-A40 HydrophobicContact CB-CB 4.44Å; L6-A40 HydrophobicContact CD1-CB 3.63Å; L6-V41 HydrophobicContact CB-CG2 4.12Å; L6-V41 HydrophobicContact CD1-CG2 4.41Å; L6-V41 HydrophobicContact CD2-CG2 4.39Å; L6-L76 HydrophobicContact CD1-CD2 4.03Å
7K78.9Confident79.9Confident144 Ų14449.6 Ų49.663%0.62628%0.278SS*.THydrogen-bonded Turntrans-88.6-15.8169.9-59.7173.6-177.7171.70111.9D5D5-K7 PolarHBondContact O-N 3.29Å; D5-K7 VanDerWaalsContact O-N 3.14Å; D5-K7 WeakPolarHBondContact OD1-CB 3.49Å; D5-K7 PolarHBondContact OD1-N 3Å
8S80.9Confident80.3Confident32 Ų3249.4 Ų49.422%0.22427%0.272CS..SBendtrans-87.1149176.479.20000111.1D5 A10 G11 L12D5-S8 WeakPolarHBondContact O-CB 3.41Å; D5-S8 PolarHBondContact O-N 3.04Å; D5-S8 PolarHBondContact O-OG 2.94Å; S8-A10 PolarHBondContact O-N 3.47Å; S8-G11 PolarHBondContact O-N 3.32Å; S8-G11 PolarHBondContact OG-N 3.31Å; S8-G11 VanDerWaalsContact OG-N 3.09Å; S8-L12 PolarHBondContact O-N 3.4Å; S8-L12 VanDerWaalsContact O-N 3.13Å
9P79.7Confident80.7Confident109 Ų10946.8 Ų46.871%0.70826%0.258SS*.Hα-helixtrans-57.1-33.9173.4-24.133.5000112.9L12 Q13P9-L12 PolarHBondContact O-N 3.14Å; P9-Q13 WeakPolarHBondContact O-CB 3.39Å; P9-Q13 PolarHBondContact O-N 3.2Å
10A80.4Confident81.1Confident62 Ų6246.7 Ų46.751%0.51226%0.263SS..Hα-helixtrans-66-45.4178.800000112S8 L12 Q13 V14S8-A10 PolarHBondContact O-N 3.47Å; A10-L12 PolarHBondContact O-N 2.64Å; A10-Q13 PolarHBondContact O-N 2.9Å; A10-V14 WeakPolarHBondContact O-CG2 3.31Å; A10-V14 PolarHBondContact O-N 3.16Å; A10-V14 VanDerWaalsContact O-N 3.08Å
11G81.1Confident81.4Confident3 Ų352 Ų523%0.03129%0.291CS..Hα-helixtrans-67.4-35.117700000113F3 D5 S8 Q13 V14 L15F3-G11 WeakPolarHBondContact O-CA 3.21Å; D5-G11 WeakPolarHBondContact O-CA 3.44Å; S8-G11 PolarHBondContact O-N 3.32Å; S8-G11 PolarHBondContact OG-N 3.31Å; S8-G11 VanDerWaalsContact OG-N 3.09Å; G11-Q13 VanDerWaalsContact C-N 3.32Å; G11-Q13 PolarHBondContact O-N 2.96Å; G11-V14 PolarHBondContact O-N 2.99Å; G11-L15 WeakPolarHBondContact O-CB 3.42Å; G11-L15 PolarHBondContact O-N 2.79Å
12L83.9Confident82.7Confident23 Ų2350.9 Ų50.912%0.1228%0.283CS..Hα-helixtrans-66-34.4173.1-69.5175000112.7L6 S8 P9 A10 L15 N16 V41 L49L6-L12 WeakPolarHBondContact O-CD2 3.36Å; L6-L12 WeakPolarHBondContact O-CG 3.49Å; S8-L12 PolarHBondContact O-N 3.4Å; S8-L12 VanDerWaalsContact O-N 3.13Å; P9-L12 PolarHBondContact O-N 3.14Å; A10-L12 PolarHBondContact O-N 2.64Å; L12-L15 PolarHBondContact O-N 2.8Å; L12-N16 WeakPolarHBondContact O-CB 3.34Å; L12-N16 PolarHBondContact O-N 2.79Å; L12-V41 HydrophobicContact CD2-CG1 4.3Å; L12-V41 HydrophobicContact CD2-CG2 4.19Å; L12-L49 HydrophobicContact CB-CD1 3.65Å
13Q85.1Confident83.3Confident112 Ų11254.4 Ų54.452%0.52331%0.307SS..Hα-helixtrans-68.4-43.7175.9-1681671.200111.3P9 A10 G11 L15 N16 D17P9-Q13 WeakPolarHBondContact O-CB 3.39Å; P9-Q13 PolarHBondContact O-N 3.2Å; A10-Q13 PolarHBondContact O-N 2.9Å; G11-Q13 VanDerWaalsContact C-N 3.32Å; G11-Q13 PolarHBondContact O-N 2.96Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 3.06Å; Q13-N16 WeakPolarHBondContact O-CB 3.38Å; Q13-N16 PolarHBondContact O-N 3.41Å; Q13-N16 VanDerWaalsContact O-N 3.12Å; Q13-D17 PolarHBondContact O-N 3.15Å
14V85.7Confident84.1Confident36 Ų3655.7 Ų55.722%0.21831%0.312CS..Hα-helixtrans-59.9-41.6173.4174.50000111.5F3 A10 G11 D17 Y18 P81 V84F3-V14 HydrophobicContact CD1-CG1 4.29Å; A10-V14 WeakPolarHBondContact O-CG2 3.31Å; A10-V14 PolarHBondContact O-N 3.16Å; A10-V14 VanDerWaalsContact O-N 3.08Å; G11-V14 PolarHBondContact O-N 2.99Å; V14-D17 PolarHBondContact O-N 2.82Å; V14-Y18 WeakPolarHBondContact O-CB 3.35Å; V14-Y18 PolarHBondContact O-N 3.45Å; V14-P81 HydrophobicContact CG1-CG 4.11Å; V14-V84 HydrophobicContact CG1-CG1 4.37Å; V14-V84 HydrophobicContact CG1-CG2 3.84Å; V14-V84 HydrophobicContact CG2-CG1 4.32Å
15L86.1Confident84.7Confident0 Ų055.1 Ų55.10%031%0.305CS..Hα-helixtrans-62.6-42.1174.4178.263.1000111.9F3 L6 G11 L12 Q13 Y18 L19 I25 V37 V41 W55F3-L15 HydrophobicContact CD1-CB 4.02Å; F3-L15 HydrophobicContact CD1-CD1 3.8Å; F3-L15 HydrophobicContact CD2-CD1 4.45Å; F3-L15 HydrophobicContact CE1-CB 4.47Å; F3-L15 HydrophobicContact CE1-CD1 3.58Å; F3-L15 HydrophobicContact CE2-CD1 4.25Å; F3-L15 HydrophobicContact CG-CD1 4.23Å; F3-L15 HydrophobicContact CZ-CD1 3.82Å; L6-L15 HydrophobicContact CD2-CB 4.01Å; L6-L15 HydrophobicContact CD2-CD2 3.91Å; L6-L15 HydrophobicContact CD2-CG 4.44Å; G11-L15 WeakPolarHBondContact O-CB 3.42Å; G11-L15 PolarHBondContact O-N 2.79Å; L12-L15 PolarHBondContact O-N 2.8Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 3.06Å; L15-Y18 PolarHBondContact O-N 3.31Å; L15-L19 HydrophobicContact CD1-CD1 3.76Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 3.88Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.26Å; L15-I25 HydrophobicContact CD1-CD1 3.73Å; L15-V37 HydrophobicContact CD1-CG1 3.93Å; L15-V37 HydrophobicContact CD2-CG1 4.09Å; L15-V41 HydrophobicContact CD2-CG2 4.15Å; L15-W55 HydrophobicContact CD2-CE3 4.33Å; L15-W55 HydrophobicContact CD2-CZ3 3.92Å
16N88.5Confident84.9Confident14 Ų1455.9 Ų55.98%0.07531%0.307CS..Hα-helixtrans-62.6-45.1178.1-18081000112.1L12 Q13 L19 A20 L49 C50 H51 A52L12-N16 WeakPolarHBondContact O-CB 3.34Å; L12-N16 PolarHBondContact O-N 2.79Å; Q13-N16 WeakPolarHBondContact O-CB 3.38Å; Q13-N16 PolarHBondContact O-N 3.41Å; Q13-N16 VanDerWaalsContact O-N 3.12Å; N16-L19 CarbonylContact O-C 3.53Å; N16-L19 PolarHBondContact O-N 3.13Å; N16-A20 PolarHBondContact O-N 2.84Å; N16-A20 VanDerWaalsContact O-N 3.11Å; N16-L49 HydrophobicContact CB-CB 4.14Å; N16-L49 HydrophobicContact CB-CD2 3.83Å; N16-L49 HydrophobicContact CB-CG 4.43Å; N16-L49 WeakPolarHBondContact OD1-CA 3.43Å; N16-C50 PolarHBondContact OD1-N 2.79Å; N16-H51 WeakPolarHBondContact OD1-CB 3.13Å; N16-H51 PolarHBondContact OD1-N 2.81Å; N16-A52 HydrophobicContact CB-CB 3.98Å; N16-A52 PolarHBondContact OD1-N 2.84Å
17D89.1Confident85Confident96 Ų9658 Ų5851%0.51333%0.331SS..Hα-helixtrans-67.7-38.4-179.4-64.2-14.6000111Q13 V14 L19 A20Q13-D17 PolarHBondContact O-N 3.15Å; V14-D17 PolarHBondContact O-N 2.82Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 2.87Å; D17-A20 VanDerWaalsContact O-CB 3.24Å; D17-A20 WeakPolarHBondContact O-CB 3.42Å; D17-A20 PolarHBondContact O-N 3.42Å
18Y86.8Confident85.3Confident45 Ų4561.6 Ų61.618%0.17634%0.342CS..Hα-helixtrans-62.2-36.9173.1-174.8-98.8000113F3 V14 L15 A20 K22 I25 P81F3-Y18 AromaticContact CE1-CD1 3.57Å; F3-Y18 HydrophobicContact CE1-CD1 3.57Å; F3-Y18 HydrophobicContact CE1-CD2 4.27Å; F3-Y18 HydrophobicContact CE1-CE1 4.25Å; F3-Y18 AromaticContact CE1-CG 3.57Å; F3-Y18 HydrophobicContact CE1-CG 3.57Å; F3-Y18 AromaticContact CZ-CD1 3.54Å; F3-Y18 HydrophobicContact CZ-CD1 3.54Å; F3-Y18 AromaticContact CZ-CE1 3.79Å; F3-Y18 HydrophobicContact CZ-CE1 3.79Å; F3-Y18 AromaticContact CZ-CG 3.98Å; F3-Y18 HydrophobicContact CZ-CG 3.98Å; V14-Y18 WeakPolarHBondContact O-CB 3.35Å; V14-Y18 PolarHBondContact O-N 3.45Å; L15-Y18 PolarHBondContact O-N 3.31Å; Y18-A20 VanDerWaalsContact C-N 3.29Å; Y18-K22 HydrophobicContact CD1-CD 3.89Å; Y18-K22 HydrophobicContact CD2-CD 4.16Å; Y18-K22 HydrophobicContact CE1-CD 3.37Å; Y18-K22 HydrophobicContact CE2-CD 3.72Å; Y18-K22 HydrophobicContact CG-CD 4.27Å; Y18-K22 WeakPolarHBondContact O-CB 3.47Å; Y18-I25 PolarHBondContact OH-O 3.39Å; Y18-P81 HydrophobicContact CD2-CB 4.24Å; Y18-P81 HydrophobicContact CD2-CG 3.67Å; Y18-P81 HydrophobicContact CE2-CG 4.42Å; Y18-P81 HydrophobicContact CG-CG 4.38Å
19L89.1Confident85.6Confident0 Ų064.3 Ų64.30%036%0.357CS..THydrogen-bonded Turntrans-84.92179.1-69170.8000113.7L15 N16 D17 K22 I25 H51 R54 W55L15-L19 HydrophobicContact CD1-CD1 3.76Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 3.88Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.26Å; N16-L19 CarbonylContact O-C 3.53Å; N16-L19 PolarHBondContact O-N 3.13Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 2.87Å; L19-K22 CarbonylContact C-O 3.58Å; L19-K22 WeakPolarHBondContact CA-O 3.32Å; L19-I25 HydrophobicContact CD2-CD1 4.25Å; L19-H51 HydrophobicContact CB-CB 4.13Å; L19-R54 PolarHBondContact O-NH2 3.01Å; L19-W55 HydrophobicContact CD1-CB 3.63Å; L19-W55 HydrophobicContact CD1-CD2 3.76Å; L19-W55 HydrophobicContact CD1-CE3 4Å; L19-W55 HydrophobicContact CD1-CG 3.59Å; L19-W55 HydrophobicContact CD2-CB 4.48Å; L19-W55 HydrophobicContact CD2-CG 4.16Å
20A88.6Confident86Confident44 Ų4459.6 Ų59.636%0.36433%0.326SS..THydrogen-bonded Turntrans-64.6-47.3171.400000110.2N16 D17 Y18N16-A20 PolarHBondContact O-N 2.84Å; N16-A20 VanDerWaalsContact O-N 3.11Å; D17-A20 VanDerWaalsContact O-CB 3.24Å; D17-A20 WeakPolarHBondContact O-CB 3.42Å; D17-A20 PolarHBondContact O-N 3.42Å; Y18-A20 VanDerWaalsContact C-N 3.29Å
21D87.7Confident86.4Confident159 Ų15957.1 Ų57.185%0.8531%0.305SS*.SBendtrans-99.6-1.5-177.7-61.5-26.7000113.2
22K86.4Confident86.6Confident95 Ų9558.3 Ų58.341%0.41331%0.31SS..  trans-129.9138.5-175.3-62.8174.4-177-68.30111.4Y18 L19Y18-K22 HydrophobicContact CD1-CD 3.89Å; Y18-K22 HydrophobicContact CD2-CD 4.16Å; Y18-K22 HydrophobicContact CE1-CD 3.37Å; Y18-K22 HydrophobicContact CE2-CD 3.72Å; Y18-K22 HydrophobicContact CG-CD 4.27Å; Y18-K22 WeakPolarHBondContact O-CB 3.47Å; L19-K22 CarbonylContact C-O 3.58Å; L19-K22 WeakPolarHBondContact CA-O 3.32Å
23S87.1Confident86.7Confident74 Ų7457.2 Ų57.252%0.51730%0.304SS..SBendtrans-84.1-26.5177.2-62.80000112.8
24Y88.4Confident86.9Confident31 Ų3151.9 Ų51.912%0.12228%0.279CS..SBendtrans-141.7165.8-175.7-59.3-75000110.5Y28 P30 D34 H58 I59Y24-Y28 WeakPolarHBondContact CE2-O 3.44Å; Y24-P30 HydrophobicContact CD1-CB 4.21Å; Y24-P30 HydrophobicContact CD1-CG 4.28Å; Y24-P30 HydrophobicContact CE1-CB 3.83Å; Y24-P30 HydrophobicContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CZ-CD 3.47Å; Y24-P30 WeakPolarHBondContact OH-CD 3.11Å; Y24-D34 WeakPolarHBondContact CA-OD1 3.38Å; Y24-D34 WeakPolarHBondContact CB-OD1 3.34Å; Y24-H58 AromaticContact CE1-CD2 3.56Å; Y24-H58 AromaticContact CE1-NE2 3.62Å; Y24-H58 AromaticContact CZ-CD2 3.98Å; Y24-H58 AromaticContact CZ-NE2 3.64Å; Y24-H58 PolarHBondContact OH-NE2 2.95Å; Y24-I59 HydrophobicContact CD1-CD1 4.19Å; Y24-I59 HydrophobicContact CE1-CD1 4.24Å
25I86.5Confident87Confident5 Ų550.3 Ų50.33%0.02627%0.27CS..SBendtrans-67.8-38.2178.7-56.5-58000111.6F3 L15 Y18 L19 A33 D34 V37 W55 Y79F3-I25 HydrophobicContact CE2-CD1 3.97Å; F3-I25 HydrophobicContact CE2-CG2 4.06Å; F3-I25 HydrophobicContact CZ-CD1 3.76Å; F3-I25 HydrophobicContact CZ-CG2 4.36Å; L15-I25 HydrophobicContact CD1-CD1 3.73Å; Y18-I25 PolarHBondContact OH-O 3.39Å; L19-I25 HydrophobicContact CD2-CD1 4.25Å; I25-A33 HydrophobicContact CB-CB 4.08Å; I25-A33 HydrophobicContact CG2-CB 3.94Å; I25-D34 HydrophobicContact CG1-CB 4.43Å; I25-D34 WeakPolarHBondContact CG1-OD1 3.46Å; I25-D34 PolarHBondContact N-OD1 2.98Å; I25-V37 HydrophobicContact CB-CG2 4.46Å; I25-V37 HydrophobicContact CD1-CB 4.21Å; I25-V37 HydrophobicContact CD1-CG1 4.04Å; I25-V37 HydrophobicContact CD1-CG2 4.05Å; I25-V37 HydrophobicContact CG1-CB 4.03Å; I25-V37 HydrophobicContact CG1-CG1 4.41Å; I25-V37 HydrophobicContact CG1-CG2 3.82Å; I25-V37 HydrophobicContact CG2-CG2 3.9Å; I25-W55 HydrophobicContact CD1-CZ2 4.05Å; I25-W55 HydrophobicContact CG1-CZ2 3.86Å; I25-Y79 HydrophobicContact CG2-CD1 3.86Å; I25-Y79 HydrophobicContact CG2-CG 3.91Å
26E83Confident87Confident81 Ų8150.7 Ų50.738%0.37927%0.273SS..SBendtrans-136.4127.5177.2-166.8169.7-168.100109.9A33 K74E26-A33 HydrophobicContact CB-CB 3.8Å; E26-K74 IonicContact OE1-NZ 2.9Å; E26-K74 PolarHBondContact OE1-NZ 2.98Å; E26-K74 IonicContact OE2-NZ 3.35Å; E26-K74 PolarHBondContact OE2-NZ 3.38Å
27G82.3Confident86.9Confident53 Ų5350 Ų5055%0.54627%0.269SS..THydrogen-bonded Turntrans71.1-151.7178.200000115.1
28Y84.2Confident86.9Confident219 Ų21946.2 Ų46.286%0.85925%0.248SC*.THydrogen-bonded Turntrans-118.67.1-173.6-57.8-77.8000113.6Y24Y24-Y28 WeakPolarHBondContact CE2-O 3.44Å
29V87.3Confident86.8Confident89 Ų8949.4 Ų49.454%0.53927%0.265SS..SBendtrans-135.9147.9-174.7179.50000108.1S31 P70V29-S31 PolarHBondContact O-N 2.8Å; V29-P70 HydrophobicContact CG1-CG 4.47Å
30P87.8Confident86.6Confident10 Ų1050.4 Ų50.47%0.06527%0.273CS..  trans-57132.4176.4-13.422.1000110.9Y24 I59 Y62 L69 P70Y24-P30 HydrophobicContact CD1-CB 4.21Å; Y24-P30 HydrophobicContact CD1-CG 4.28Å; Y24-P30 HydrophobicContact CE1-CB 3.83Å; Y24-P30 HydrophobicContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CZ-CD 3.47Å; Y24-P30 WeakPolarHBondContact OH-CD 3.11Å; P30-I59 HydrophobicContact CB-CD1 4.15Å; P30-Y62 HydrophobicContact CB-CE2 4.49Å; P30-Y62 HydrophobicContact CG-CD2 4.35Å; P30-Y62 HydrophobicContact CG-CE1 4.39Å; P30-Y62 HydrophobicContact CG-CE2 3.86Å; P30-L69 HydrophobicContact CB-CD1 4.23Å; P30-L69 HydrophobicContact CB-CD2 4.03Å; P30-P70 WeakPolarHBondContact O-CD 3.49Å
31S88.8Confident86.4Confident10 Ų1048.7 Ų48.77%0.0726%0.258CS..  trans-134.5171.7-170.971.20000112.9V29 A33 D34 V35 P70V29-S31 PolarHBondContact O-N 2.8Å; S31-A33 PolarHBondContact O-N 3.25Å; S31-A33 VanDerWaalsContact O-N 3.17Å; S31-A33 WeakPolarHBondContact OG-CB 3.32Å; S31-A33 PolarHBondContact OG-N 2.63Å; S31-D34 PolarHBondContact N-OD2 3.49Å; S31-D34 WeakPolarHBondContact O-CB 3.5Å; S31-D34 PolarHBondContact O-N 3.18Å; S31-D34 PolarHBondContact OG-OD2 2.87Å; S31-V35 PolarHBondContact O-N 2.86Å; S31-P70 CarbonylContact C-O 3.56Å; S31-P70 WeakPolarHBondContact CA-O 3.3Å; S31-P70 WeakPolarHBondContact CB-O 3.25Å
32Q87.3Confident85.9Confident29 Ų2946 Ų4614%0.13625%0.252CS..Hα-helixtrans-59.5-22171.7-67.4-57.7-35.600113.3V35 A36 K66 L69 P70 G71 K73Q32-V35 PolarHBondContact O-N 2.85Å; Q32-A36 PolarHBondContact O-N 2.8Å; Q32-A36 VanDerWaalsContact O-N 3.09Å; Q32-K66 PolarHBondContact NE2-O 3.34Å; Q32-L69 PolarHBondContact NE2-O 3.3Å; Q32-P70 PolarHBondContact N-O 3.44Å; Q32-G71 WeakPolarHBondContact CG-O 3.4Å; Q32-K73 HydrophobicContact CB-CB 4.36Å
33A85.8Confident85.6Confident0 Ų042.5 Ų42.50%024%0.243CC..Hα-helixtrans-66.6-43172.700000111.5I25 E26 S31 V35 A36 V37 Y79I25-A33 HydrophobicContact CB-CB 4.08Å; I25-A33 HydrophobicContact CG2-CB 3.94Å; E26-A33 HydrophobicContact CB-CB 3.8Å; S31-A33 PolarHBondContact O-N 3.25Å; S31-A33 VanDerWaalsContact O-N 3.17Å; S31-A33 WeakPolarHBondContact OG-CB 3.32Å; S31-A33 PolarHBondContact OG-N 2.63Å; A33-V35 VanDerWaalsContact C-N 3.3Å; A33-V35 PolarHBondContact O-N 3.49Å; A33-A36 WeakPolarHBondContact O-CB 3.22Å; A33-A36 PolarHBondContact O-N 2.93Å; A33-V37 WeakPolarHBondContact O-CG2 3.26Å; A33-V37 PolarHBondContact O-N 2.94Å; A33-V37 VanDerWaalsContact O-N 3.09Å; A33-Y79 HydrophobicContact CB-CD1 3.84Å; A33-Y79 HydrophobicContact CB-CE1 3.25Å; A33-Y79 HydrophobicContact CB-CE2 4.24Å; A33-Y79 VanDerWaalsContact CB-CZ 3.46Å
34D88.8Confident85.4Confident0 Ų043.3 Ų43.30%025%0.246CC..Hα-helixtrans-63.6-38.5176.4-59.6-86.7000111.3Y24 I25 S31 A36 V37 F38 W55 I59Y24-D34 WeakPolarHBondContact CA-OD1 3.38Å; Y24-D34 WeakPolarHBondContact CB-OD1 3.34Å; I25-D34 HydrophobicContact CG1-CB 4.43Å; I25-D34 WeakPolarHBondContact CG1-OD1 3.46Å; I25-D34 PolarHBondContact N-OD1 2.98Å; S31-D34 PolarHBondContact N-OD2 3.49Å; S31-D34 WeakPolarHBondContact O-CB 3.5Å; S31-D34 PolarHBondContact O-N 3.18Å; S31-D34 PolarHBondContact OG-OD2 2.87Å; D34-A36 VanDerWaalsContact C-N 3.35Å; D34-V37 PolarHBondContact O-N 2.73Å; D34-F38 WeakPolarHBondContact O-CB 3.17Å; D34-F38 PolarHBondContact O-N 3.37Å; D34-W55 HydrophobicContact CB-CZ2 4.18Å; D34-W55 PolarHBondContact OD1-NE1 2.77Å; D34-I59 HydrophobicContact CB-CD1 3.57Å; D34-I59 HydrophobicContact CB-CG1 3.99Å; D34-I59 HydrophobicContact CB-CG2 4.48Å
35V87.9Confident85.2Confident3 Ų342.1 Ų42.12%0.01824%0.242CC..Hα-helixtrans-63-42.3175.3-177.40000111.1S31 Q32 A33 F38 E39 K66 L69S31-V35 PolarHBondContact O-N 2.86Å; Q32-V35 PolarHBondContact O-N 2.85Å; A33-V35 VanDerWaalsContact C-N 3.3Å; A33-V35 PolarHBondContact O-N 3.49Å; V35-F38 PolarHBondContact O-N 3.38Å; V35-E39 HydrophobicContact CG1-CG 4.5Å; V35-E39 WeakPolarHBondContact CG1-OE1 3.37Å; V35-E39 WeakPolarHBondContact O-CG 3.37Å; V35-E39 PolarHBondContact O-N 2.83Å; V35-K66 HydrophobicContact CG1-CB 4.36Å; V35-K66 HydrophobicContact CG1-CD 4.27Å; V35-K66 HydrophobicContact CG1-CG 4.3Å; V35-K66 HydrophobicContact CG2-CB 4.24Å; V35-K66 HydrophobicContact CG2-CG 4.07Å; V35-L69 HydrophobicContact CG2-CD1 3.72Å
36A85.8Confident85Confident7 Ų745 Ų456%0.05826%0.261CS..Hα-helixtrans-60.9-48.1177.800000112.3Q32 A33 D34 A40 K73 Y79Q32-A36 PolarHBondContact O-N 2.8Å; Q32-A36 VanDerWaalsContact O-N 3.09Å; A33-A36 WeakPolarHBondContact O-CB 3.22Å; A33-A36 PolarHBondContact O-N 2.93Å; D34-A36 VanDerWaalsContact C-N 3.35Å; A36-A40 PolarHBondContact O-N 3.19Å; A36-K73 HydrophobicContact CB-CG 3.91Å; A36-Y79 HydrophobicContact CB-CE2 4.11Å
37V86.7Confident85Confident0 Ų045 Ų450%028%0.275CS..Hα-helixtrans-68.4-37.9178.4-179.70000110.5F3 L6 L15 I25 A33 D34 E39 A40 V41 W55 L76F3-V37 HydrophobicContact CD2-CG1 4.41Å; F3-V37 HydrophobicContact CD2-CG2 4.15Å; F3-V37 HydrophobicContact CE2-CG1 4.47Å; F3-V37 HydrophobicContact CE2-CG2 3.91Å; L6-V37 HydrophobicContact CD1-CG1 3.78Å; L15-V37 HydrophobicContact CD1-CG1 3.93Å; L15-V37 HydrophobicContact CD2-CG1 4.09Å; I25-V37 HydrophobicContact CB-CG2 4.46Å; I25-V37 HydrophobicContact CD1-CB 4.21Å; I25-V37 HydrophobicContact CD1-CG1 4.04Å; I25-V37 HydrophobicContact CD1-CG2 4.05Å; I25-V37 HydrophobicContact CG1-CB 4.03Å; I25-V37 HydrophobicContact CG1-CG1 4.41Å; I25-V37 HydrophobicContact CG1-CG2 3.82Å; I25-V37 HydrophobicContact CG2-CG2 3.9Å; A33-V37 WeakPolarHBondContact O-CG2 3.26Å; A33-V37 PolarHBondContact O-N 2.94Å; A33-V37 VanDerWaalsContact O-N 3.09Å; D34-V37 PolarHBondContact O-N 2.73Å; V37-E39 PolarHBondContact O-N 3.5Å; V37-A40 WeakPolarHBondContact O-CB 3.38Å; V37-A40 PolarHBondContact O-N 2.93Å; V37-V41 WeakPolarHBondContact O-CG2 3.31Å; V37-V41 PolarHBondContact O-N 3.34Å; V37-V41 VanDerWaalsContact O-N 3.12Å; V37-W55 HydrophobicContact CB-CH2 3.84Å; V37-W55 HydrophobicContact CB-CZ2 4.07Å; V37-W55 HydrophobicContact CG1-CH2 3.55Å; V37-W55 HydrophobicContact CG1-CZ2 4.1Å; V37-W55 HydrophobicContact CG1-CZ3 4.28Å; V37-L76 HydrophobicContact CG2-CD2 4.12Å
38F87.9Confident85.2Confident16 Ų1649.7 Ų49.77%0.0729%0.287CS..Hα-helixtrans-64.7-40.3179-179.6-87.1000112.4D34 V35 A40 V41 W55 Y56 I59 K60 K66D34-F38 WeakPolarHBondContact O-CB 3.17Å; D34-F38 PolarHBondContact O-N 3.37Å; V35-F38 PolarHBondContact O-N 3.38Å; F38-A40 VanDerWaalsContact C-N 3.31Å; F38-V41 PolarHBondContact O-N 3.33Å; F38-W55 HydrophobicContact CB-CH2 4.03Å; F38-W55 HydrophobicContact CB-CZ2 4.47Å; F38-Y56 AromaticContact CD2-CD2 3.64Å; F38-Y56 HydrophobicContact CD2-CD2 3.64Å; F38-Y56 AromaticContact CD2-CE2 3.73Å; F38-Y56 HydrophobicContact CD2-CE2 3.73Å; F38-Y56 HydrophobicContact CD2-CG 4.32Å; F38-Y56 HydrophobicContact CE2-CD1 4.16Å; F38-Y56 AromaticContact CE2-CD2 3.46Å; F38-Y56 HydrophobicContact CE2-CD2 3.46Å; F38-Y56 VanDerWaalsContact CE2-CD2 3.46Å; F38-Y56 HydrophobicContact CE2-CE1 4.02Å; F38-Y56 AromaticContact CE2-CE2 3.29Å; F38-Y56 HydrophobicContact CE2-CE2 3.29Å; F38-Y56 AromaticContact CE2-CG 3.9Å; F38-Y56 HydrophobicContact CE2-CG 3.9Å; F38-Y56 AromaticContact CE2-CZ 3.59Å; F38-Y56 WeakPolarHBondContact CE2-O 3.33Å; F38-Y56 HydrophobicContact CZ-CD2 4.41Å; F38-Y56 HydrophobicContact CZ-CE1 4.36Å; F38-Y56 AromaticContact CZ-CE2 3.81Å; F38-Y56 HydrophobicContact CZ-CE2 3.81Å; F38-Y56 AromaticContact CZ-CZ 3.78Å; F38-I59 HydrophobicContact CB-CG2 3.77Å; F38-I59 HydrophobicContact CD2-CB 3.9Å; F38-I59 HydrophobicContact CD2-CG2 3.67Å; F38-I59 HydrophobicContact CE2-CB 4.47Å; F38-I59 HydrophobicContact CE2-CG2 4.43Å; F38-I59 HydrophobicContact CG-CB 4.45Å; F38-I59 HydrophobicContact CG-CG2 3.73Å; F38-K60 HydrophobicContact CE2-CB 3.87Å; F38-K60 HydrophobicContact CZ-CB 3.9Å; F38-K60 HydrophobicContact CZ-CG 4.19Å; F38-K66 VanDerWaalsContact CE1-NZ 3.28Å
39E85.8Confident85.3Confident112 Ų11240.3 Ų40.352%0.52325%0.252SS..Hα-helixtrans-68.8-29.6174.9-74.2175.7-157.700113V35 V37 V41 K73V35-E39 HydrophobicContact CG1-CG 4.5Å; V35-E39 WeakPolarHBondContact CG1-OE1 3.37Å; V35-E39 WeakPolarHBondContact O-CG 3.37Å; V35-E39 PolarHBondContact O-N 2.83Å; V37-E39 PolarHBondContact O-N 3.5Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-K73 IonicContact OE1-NZ 3.78Å; E39-K73 PolarHBondContact OE1-NZ 3.13Å; E39-K73 IonicContact OE2-NZ 2.69Å; E39-K73 PolarHBondContact OE2-NZ 2.98Å
40A84.4Confident85.3Confident21 Ų2139.4 Ų39.417%0.17425%0.249CC..Hα-helixtrans-73.2-28.7177.300000112.5L6 A36 V37 F38 S42 L76L6-A40 HydrophobicContact CB-CB 4.44Å; L6-A40 HydrophobicContact CD1-CB 3.63Å; A36-A40 PolarHBondContact O-N 3.19Å; V37-A40 WeakPolarHBondContact O-CB 3.38Å; V37-A40 PolarHBondContact O-N 2.93Å; F38-A40 VanDerWaalsContact C-N 3.31Å; A40-S42 PolarHBondContact O-N 2.88Å; A40-L76 HydrophobicContact CB-CD1 3.64Å; A40-L76 HydrophobicContact CB-CD2 3.68Å; A40-L76 HydrophobicContact CB-CG 4.32Å
41V84.7Confident85.5Confident8 Ų841.9 Ų41.95%0.04826%0.26CS..SBendtrans-77.3113.4173.7173.80000109.1L6 L12 L15 V37 F38 E39 G43 Y56L6-V41 HydrophobicContact CB-CG2 4.12Å; L6-V41 HydrophobicContact CD1-CG2 4.41Å; L6-V41 HydrophobicContact CD2-CG2 4.39Å; L12-V41 HydrophobicContact CD2-CG1 4.3Å; L12-V41 HydrophobicContact CD2-CG2 4.19Å; L15-V41 HydrophobicContact CD2-CG2 4.15Å; V37-V41 WeakPolarHBondContact O-CG2 3.31Å; V37-V41 PolarHBondContact O-N 3.34Å; V37-V41 VanDerWaalsContact O-N 3.12Å; F38-V41 PolarHBondContact O-N 3.33Å; E39-V41 VanDerWaalsContact C-N 3.33Å; V41-G43 WeakPolarHBondContact CG1-O 3.48Å; V41-G43 PolarHBondContact O-N 3.38Å; V41-G43 VanDerWaalsContact O-N 3.17Å; V41-Y56 HydrophobicContact CB-CE2 4.39Å; V41-Y56 HydrophobicContact CG1-CD2 3.97Å; V41-Y56 HydrophobicContact CG1-CE2 3.82Å
42S76.4Confident85.4Confident103 Ų10341.4 Ų41.472%0.7226%0.256SS*.  trans-69.9-11-174.255.30000114.7A40A40-S42 PolarHBondContact O-N 2.88Å
43G80.4Confident85.5Confident22 Ų2242.4 Ų42.423%0.22726%0.262CS..SBendtrans-178.4176.9-178.400000113.3V41V41-G43 WeakPolarHBondContact CG1-O 3.48Å; V41-G43 PolarHBondContact O-N 3.38Å; V41-G43 VanDerWaalsContact O-N 3.17Å
44P83.2Confident85.8Confident91 Ų9148.2 Ų48.259%0.59128%0.284SS*.PPolyproline II helixtrans-58.3129.5-178.923.8-32.5000111.1Y56P44-Y56 HydrophobicContact CB-CD1 4.13Å; P44-Y56 HydrophobicContact CB-CE1 3.85Å
45P84.4Confident85.9Confident5 Ų548.3 Ų48.33%0.03229%0.285CS..PPolyproline II helixtrans-57.7151.8173.2-24.133.7000111.5A52 L53 Y56P45-A52 HydrophobicContact CB-CB 4.14Å; P45-A52 HydrophobicContact CG-CB 4.06Å; P45-L53 WeakPolarHBondContact O-CD1 3.29Å; P45-Y56 HydrophobicContact CG-CG 4.41Å
46P82.5Confident86Confident66 Ų6649.1 Ų49.143%0.42929%0.288SS..PPolyproline II helixtrans-61152.917524-32.5000111.8D48 L49P46-D48 PolarHBondContact O-N 3.05Å; P46-D48 VanDerWaalsContact O-N 3.11Å; P46-L49 HydrophobicContact CG-CD1 3.93Å; P46-L49 HydrophobicContact CG-CG 4.17Å; P46-L49 PolarHBondContact O-N 2.98Å
47A83.6Confident86.2Confident81 Ų8152.7 Ų52.767%0.66931%0.306SS*.THydrogen-bonded Turntrans-61.5-22-176.200000114.2L49 L53A47-L49 PolarHBondContact O-N 2.75Å; A47-L53 HydrophobicContact CB-CD1 4.47Å
48D85Confident86.4Confident151 Ų15155.7 Ų55.781%0.80732%0.32SS*.THydrogen-bonded Turntrans-66.9-22.4175.4-57.3-33.5000112.3P46 C50P46-D48 PolarHBondContact O-N 3.05Å; P46-D48 VanDerWaalsContact O-N 3.11Å; D48-C50 PolarHBondContact O-N 2.99Å
49L86.3Confident86.4Confident22 Ų2255 Ų5512%0.11532%0.316CS..  trans-99.569.5176.2-60.1178000110L12 N16 P46 A47 H51 A52 L53L12-L49 HydrophobicContact CB-CD1 3.65Å; N16-L49 HydrophobicContact CB-CB 4.14Å; N16-L49 HydrophobicContact CB-CD2 3.83Å; N16-L49 HydrophobicContact CB-CG 4.43Å; N16-L49 WeakPolarHBondContact OD1-CA 3.43Å; P46-L49 HydrophobicContact CG-CD1 3.93Å; P46-L49 HydrophobicContact CG-CG 4.17Å; P46-L49 PolarHBondContact O-N 2.98Å; A47-L49 PolarHBondContact O-N 2.75Å; L49-H51 VanDerWaalsContact C-N 3.32Å; L49-H51 PolarHBondContact O-N 2.84Å; L49-A52 HydrophobicContact CB-CB 4.2Å; L49-A52 PolarHBondContact O-N 2.87Å; L49-L53 VanDerWaalsContact O-CB 3.31Å; L49-L53 WeakPolarHBondContact O-CB 3.12Å; L49-L53 PolarHBondContact O-N 2.89Å
50C88.8Confident86.6Confident71 Ų7154.5 Ų54.548%0.4831%0.312SS..Hα-helixtrans-61.4-34.1-169.963.40000113.9N16 D48 R54N16-C50 PolarHBondContact OD1-N 2.79Å; D48-C50 PolarHBondContact O-N 2.99Å; C50-R54 VanDerWaalsContact O-CB 3.28Å; C50-R54 WeakPolarHBondContact O-CB 3.39Å; C50-R54 PolarHBondContact O-N 2.69Å
51H90.7Very high86.8Confident62 Ų6257.6 Ų57.629%0.28733%0.333SS..Hα-helixtrans-74.2-44.8179.8-54.3-56.8000111.3N16 L19 L49 R54 W55N16-H51 WeakPolarHBondContact OD1-CB 3.13Å; N16-H51 PolarHBondContact OD1-N 2.81Å; L19-H51 HydrophobicContact CB-CB 4.13Å; L49-H51 VanDerWaalsContact C-N 3.32Å; L49-H51 PolarHBondContact O-N 2.84Å; H51-R54 PolarHBondContact O-N 2.83Å; H51-W55 WeakPolarHBondContact O-CB 3.34Å; H51-W55 PolarHBondContact O-N 2.81Å
52A87.6Confident86.9Confident0 Ų060.3 Ų60.30%034%0.343CS..Hα-helixtrans-64.4-40.9175.100000111.6N16 P45 L49 W55 Y56N16-A52 HydrophobicContact CB-CB 3.98Å; N16-A52 PolarHBondContact OD1-N 2.84Å; P45-A52 HydrophobicContact CB-CB 4.14Å; P45-A52 HydrophobicContact CG-CB 4.06Å; L49-A52 HydrophobicContact CB-CB 4.2Å; L49-A52 PolarHBondContact O-N 2.87Å; A52-W55 PolarHBondContact O-N 3.25Å; A52-Y56 VanDerWaalsContact O-CB 3.26Å; A52-Y56 WeakPolarHBondContact O-CB 3.36Å; A52-Y56 PolarHBondContact O-N 2.85Å
53L88.6Confident87Confident50 Ų5060.9 Ų60.926%0.26233%0.334SS..Hα-helixtrans-65.5-43.1177.1-176.4150.3000112.1P45 A47 L49 Y56 N57P45-L53 WeakPolarHBondContact O-CD1 3.29Å; A47-L53 HydrophobicContact CB-CD1 4.47Å; L49-L53 VanDerWaalsContact O-CB 3.31Å; L49-L53 WeakPolarHBondContact O-CB 3.12Å; L49-L53 PolarHBondContact O-N 2.89Å; L53-Y56 PolarHBondContact O-N 3.21Å; L53-N57 VanDerWaalsContact CD2-ND2 3.25Å; L53-N57 WeakPolarHBondContact CD2-ND2 3.41Å; L53-N57 PolarHBondContact O-N 2.98Å; L53-N57 PolarHBondContact O-ND2 3.4Å
54R91.7Very high87Confident121 Ų12169.8 Ų69.846%0.45737%0.367SS..Hα-helixtrans-56.1-52.6174.3177.6-165.768.8-174.5-3.9110.5L19 C50 H51 N57 H58L19-R54 PolarHBondContact O-NH2 3.01Å; C50-R54 VanDerWaalsContact O-CB 3.28Å; C50-R54 WeakPolarHBondContact O-CB 3.39Å; C50-R54 PolarHBondContact O-N 2.69Å; H51-R54 PolarHBondContact O-N 2.83Å; R54-N57 PolarHBondContact O-N 3.1Å; R54-H58 WeakPolarHBondContact O-CB 3.24Å; R54-H58 PolarHBondContact O-N 3.07Å
55W92.2Very high87Confident2 Ų271 Ų711%0.00837%0.365CS..Hα-helixtrans-61.7-45.7179.3168.585.4000111.7L15 L19 I25 D34 V37 F38 H51 A52 N57 H58 I59L15-W55 HydrophobicContact CD2-CE3 4.33Å; L15-W55 HydrophobicContact CD2-CZ3 3.92Å; L19-W55 HydrophobicContact CD1-CB 3.63Å; L19-W55 HydrophobicContact CD1-CD2 3.76Å; L19-W55 HydrophobicContact CD1-CE3 4Å; L19-W55 HydrophobicContact CD1-CG 3.59Å; L19-W55 HydrophobicContact CD2-CB 4.48Å; L19-W55 HydrophobicContact CD2-CG 4.16Å; I25-W55 HydrophobicContact CD1-CZ2 4.05Å; I25-W55 HydrophobicContact CG1-CZ2 3.86Å; D34-W55 HydrophobicContact CB-CZ2 4.18Å; D34-W55 PolarHBondContact OD1-NE1 2.77Å; V37-W55 HydrophobicContact CB-CH2 3.84Å; V37-W55 HydrophobicContact CB-CZ2 4.07Å; V37-W55 HydrophobicContact CG1-CH2 3.55Å; V37-W55 HydrophobicContact CG1-CZ2 4.1Å; V37-W55 HydrophobicContact CG1-CZ3 4.28Å; F38-W55 HydrophobicContact CB-CH2 4.03Å; F38-W55 HydrophobicContact CB-CZ2 4.47Å; H51-W55 WeakPolarHBondContact O-CB 3.34Å; H51-W55 PolarHBondContact O-N 2.81Å; A52-W55 PolarHBondContact O-N 3.25Å; W55-N57 PolarHBondContact O-N 2.8Å; W55-H58 WeakPolarHBondContact O-CB 3.44Å; W55-H58 PolarHBondContact O-N 3.45Å; W55-H58 VanDerWaalsContact O-N 3.13Å; W55-I59 HydrophobicContact CD2-CG1 4.21Å; W55-I59 HydrophobicContact CG-CG1 4.32Å; W55-I59 HydrophobicContact CZ2-CG1 4.09Å; W55-I59 WeakPolarHBondContact O-CG1 3.44Å; W55-I59 PolarHBondContact O-N 3.26Å
56Y89.8Confident86.8Confident21 Ų2172.5 Ų72.58%0.08237%0.37CS..Hα-helixtrans-58.7-46.6179.6-176.9-89.8000111.9F38 V41 P44 P45 A52 L53 H58 I59 K60F38-Y56 AromaticContact CD2-CD2 3.64Å; F38-Y56 HydrophobicContact CD2-CD2 3.64Å; F38-Y56 AromaticContact CD2-CE2 3.73Å; F38-Y56 HydrophobicContact CD2-CE2 3.73Å; F38-Y56 HydrophobicContact CD2-CG 4.32Å; F38-Y56 HydrophobicContact CE2-CD1 4.16Å; F38-Y56 AromaticContact CE2-CD2 3.46Å; F38-Y56 HydrophobicContact CE2-CD2 3.46Å; F38-Y56 VanDerWaalsContact CE2-CD2 3.46Å; F38-Y56 HydrophobicContact CE2-CE1 4.02Å; F38-Y56 AromaticContact CE2-CE2 3.29Å; F38-Y56 HydrophobicContact CE2-CE2 3.29Å; F38-Y56 AromaticContact CE2-CG 3.9Å; F38-Y56 HydrophobicContact CE2-CG 3.9Å; F38-Y56 AromaticContact CE2-CZ 3.59Å; F38-Y56 WeakPolarHBondContact CE2-O 3.33Å; F38-Y56 HydrophobicContact CZ-CD2 4.41Å; F38-Y56 HydrophobicContact CZ-CE1 4.36Å; F38-Y56 AromaticContact CZ-CE2 3.81Å; F38-Y56 HydrophobicContact CZ-CE2 3.81Å; F38-Y56 AromaticContact CZ-CZ 3.78Å; V41-Y56 HydrophobicContact CB-CE2 4.39Å; V41-Y56 HydrophobicContact CG1-CD2 3.97Å; V41-Y56 HydrophobicContact CG1-CE2 3.82Å; P44-Y56 HydrophobicContact CB-CD1 4.13Å; P44-Y56 HydrophobicContact CB-CE1 3.85Å; P45-Y56 HydrophobicContact CG-CG 4.41Å; A52-Y56 VanDerWaalsContact O-CB 3.26Å; A52-Y56 WeakPolarHBondContact O-CB 3.36Å; A52-Y56 PolarHBondContact O-N 2.85Å; L53-Y56 PolarHBondContact O-N 3.21Å; Y56-H58 VanDerWaalsContact C-N 3.31Å; Y56-H58 PolarHBondContact O-N 2.82Å; Y56-I59 PolarHBondContact O-N 3.1Å; Y56-K60 HydrophobicContact CE1-CD 4.2Å; Y56-K60 WeakPolarHBondContact O-CB 3.3Å; Y56-K60 PolarHBondContact O-N 2.67Å
57N90.8Very high86.4Confident82 Ų8274.2 Ų74.244%0.43939%0.39SS..Hα-helixtrans-65.2-37.2177.6-73.4-31.2000112.4L53 R54 W55 S61L53-N57 VanDerWaalsContact CD2-ND2 3.25Å; L53-N57 WeakPolarHBondContact CD2-ND2 3.41Å; L53-N57 PolarHBondContact O-N 2.98Å; L53-N57 PolarHBondContact O-ND2 3.4Å; R54-N57 PolarHBondContact O-N 3.1Å; W55-N57 PolarHBondContact O-N 2.8Å; N57-S61 PolarHBondContact O-N 2.79Å
58H89.7Confident86.3Confident63 Ų6375.3 Ų75.329%0.29239%0.393SS..Hα-helixtrans-64-52.7176.3-172.960.1000111.2Y24 R54 W55 Y56 K60 S61 Y62Y24-H58 AromaticContact CE1-CD2 3.56Å; Y24-H58 AromaticContact CE1-NE2 3.62Å; Y24-H58 AromaticContact CZ-CD2 3.98Å; Y24-H58 AromaticContact CZ-NE2 3.64Å; Y24-H58 PolarHBondContact OH-NE2 2.95Å; R54-H58 WeakPolarHBondContact O-CB 3.24Å; R54-H58 PolarHBondContact O-N 3.07Å; W55-H58 WeakPolarHBondContact O-CB 3.44Å; W55-H58 PolarHBondContact O-N 3.45Å; W55-H58 VanDerWaalsContact O-N 3.13Å; Y56-H58 VanDerWaalsContact C-N 3.31Å; Y56-H58 PolarHBondContact O-N 2.82Å; H58-K60 VanDerWaalsContact C-N 3.29Å; H58-K60 PolarHBondContact O-N 3.48Å; H58-S61 WeakPolarHBondContact O-CB 3.22Å; H58-S61 PolarHBondContact O-N 2.75Å; H58-S61 PolarHBondContact O-OG 3.47Å; H58-Y62 AromaticContact CE1-CE2 3.54Å; H58-Y62 AromaticContact NE2-CE2 3.58Å; H58-Y62 VanDerWaalsContact O-CD2 3.22Å; H58-Y62 WeakPolarHBondContact O-CD2 3.3Å
59I89.1Confident86.2Confident0 Ų069.1 Ų69.10%036%0.36CS..Hα-helixtrans-64.4-33178-59.7-55.5000112.2Y24 P30 D34 F38 W55 Y56 S61 Y62Y24-I59 HydrophobicContact CD1-CD1 4.19Å; Y24-I59 HydrophobicContact CE1-CD1 4.24Å; P30-I59 HydrophobicContact CB-CD1 4.15Å; D34-I59 HydrophobicContact CB-CD1 3.57Å; D34-I59 HydrophobicContact CB-CG1 3.99Å; D34-I59 HydrophobicContact CB-CG2 4.48Å; F38-I59 HydrophobicContact CB-CG2 3.77Å; F38-I59 HydrophobicContact CD2-CB 3.9Å; F38-I59 HydrophobicContact CD2-CG2 3.67Å; F38-I59 HydrophobicContact CE2-CB 4.47Å; F38-I59 HydrophobicContact CE2-CG2 4.43Å; F38-I59 HydrophobicContact CG-CB 4.45Å; F38-I59 HydrophobicContact CG-CG2 3.73Å; W55-I59 HydrophobicContact CD2-CG1 4.21Å; W55-I59 HydrophobicContact CG-CG1 4.32Å; W55-I59 HydrophobicContact CZ2-CG1 4.09Å; W55-I59 WeakPolarHBondContact O-CG1 3.44Å; W55-I59 PolarHBondContact O-N 3.26Å; Y56-I59 PolarHBondContact O-N 3.1Å; I59-S61 PolarHBondContact O-N 2.89Å; I59-Y62 PolarHBondContact O-N 2.89Å; I59-Y62 VanDerWaalsContact O-N 3.11Å
60K89.2Confident85.9Confident102 Ų10271.7 Ų71.744%0.44338%0.378SS..Hα-helixtrans-60.7-33.8173.3-172.6174.5-179.1177.70112.4F38 Y56 H58 Y62 E63F38-K60 HydrophobicContact CE2-CB 3.87Å; F38-K60 HydrophobicContact CZ-CB 3.9Å; F38-K60 HydrophobicContact CZ-CG 4.19Å; Y56-K60 HydrophobicContact CE1-CD 4.2Å; Y56-K60 WeakPolarHBondContact O-CB 3.3Å; Y56-K60 PolarHBondContact O-N 2.67Å; H58-K60 VanDerWaalsContact C-N 3.29Å; H58-K60 PolarHBondContact O-N 3.48Å; K60-Y62 PolarHBondContact O-N 2.87Å; K60-E63 VanDerWaalsContact O-CB 3.27Å; K60-E63 WeakPolarHBondContact O-CB 3.27Å; K60-E63 PolarHBondContact O-N 3.36Å
61S89.1Confident85.5Confident87 Ų8770.1 Ų70.161%0.60837%0.373SS*.Hα-helixtrans-64.5-28.4176.978.10000112.8N57 H58 I59 E63N57-S61 PolarHBondContact O-N 2.79Å; H58-S61 WeakPolarHBondContact O-CB 3.22Å; H58-S61 PolarHBondContact O-N 2.75Å; H58-S61 PolarHBondContact O-OG 3.47Å; I59-S61 PolarHBondContact O-N 2.89Å; S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 3.32Å
62Y85.6Confident84.7Confident64 Ų6470.8 Ų70.825%0.25138%0.382SS..THydrogen-bonded Turntrans-83.39.5177.1-66.5-81.6000113.8P30 H58 I59 K60 K64 E65 K66 L69P30-Y62 HydrophobicContact CB-CE2 4.49Å; P30-Y62 HydrophobicContact CG-CD2 4.35Å; P30-Y62 HydrophobicContact CG-CE1 4.39Å; P30-Y62 HydrophobicContact CG-CE2 3.86Å; H58-Y62 AromaticContact CE1-CE2 3.54Å; H58-Y62 AromaticContact NE2-CE2 3.58Å; H58-Y62 VanDerWaalsContact O-CD2 3.22Å; H58-Y62 WeakPolarHBondContact O-CD2 3.3Å; I59-Y62 PolarHBondContact O-N 2.89Å; I59-Y62 VanDerWaalsContact O-N 3.11Å; K60-Y62 PolarHBondContact O-N 2.87Å; Y62-K64 PolarHBondContact O-N 2.88Å; Y62-K64 VanDerWaalsContact O-N 3.08Å; Y62-E65 CarbonylContact O-C 3.55Å; Y62-E65 WeakPolarHBondContact O-CA 3.21Å; Y62-E65 PolarHBondContact O-N 3.39Å; Y62-K66 WeakPolarHBondContact O-CG 3.41Å; Y62-K66 PolarHBondContact O-N 2.97Å; Y62-L69 HydrophobicContact CD1-CD2 4.31Å
63E79.1Confident84.3Confident115 Ų11575.6 Ų75.654%0.53740%0.403SS..THydrogen-bonded Turntrans-52-37.4-174.7-179.3162.6-129.100114.7K60 S61 E65 K66K60-E63 VanDerWaalsContact O-CB 3.27Å; K60-E63 WeakPolarHBondContact O-CB 3.27Å; K60-E63 PolarHBondContact O-N 3.36Å; S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 3.32Å; E63-E65 VanDerWaalsContact C-N 3.32Å; E63-K66 HydrophobicContact CG-CD 4.42Å; E63-K66 IonicContact OE1-NZ 2.62Å
64K81.2Confident83.8Confident209 Ų20977.8 Ų77.891%0.90941%0.41SS*.THydrogen-bonded Turntrans-75.5-21.5178.3-64.2178.9-178.81750113.5Y62Y62-K64 PolarHBondContact O-N 2.88Å; Y62-K64 VanDerWaalsContact O-N 3.08Å
65E83.1Confident82.9Confident118 Ų11875.2 Ų75.255%0.55142%0.415SS*.THydrogen-bonded Turntrans-111.45.2-173.9-64.7176-169.200112.3Y62 E63 A67 S68 L69Y62-E65 CarbonylContact O-C 3.55Å; Y62-E65 WeakPolarHBondContact O-CA 3.21Å; Y62-E65 PolarHBondContact O-N 3.39Å; E63-E65 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.3Å; E65-S68 WeakPolarHBondContact O-CA 3.47Å; E65-S68 PolarHBondContact O-N 3.12Å; E65-L69 PolarHBondContact O-N 2.78Å
66K79.4Confident81.7Confident35 Ų3578.4 Ų78.415%0.15243%0.432CS..G310 helixtrans-49.8-36179.3-78.2173.1174.6169.60113Q32 V35 F38 Y62 E63 S68Q32-K66 PolarHBondContact NE2-O 3.34Å; V35-K66 HydrophobicContact CG1-CB 4.36Å; V35-K66 HydrophobicContact CG1-CD 4.27Å; V35-K66 HydrophobicContact CG1-CG 4.3Å; V35-K66 HydrophobicContact CG2-CB 4.24Å; V35-K66 HydrophobicContact CG2-CG 4.07Å; F38-K66 VanDerWaalsContact CE1-NZ 3.28Å; Y62-K66 WeakPolarHBondContact O-CG 3.41Å; Y62-K66 PolarHBondContact O-N 2.97Å; E63-K66 HydrophobicContact CG-CD 4.42Å; E63-K66 IonicContact OE1-NZ 2.62Å; K66-S68 VanDerWaalsContact C-N 3.33Å
67A74.5Confident80.6Confident102 Ų10278.1 Ų78.184%0.84344%0.435SS*.G310 helixtrans-74.7-19.9178.800000114E65E65-A67 PolarHBondContact O-N 3.3Å
68S80.7Confident79.8Confident104 Ų10481.1 Ų81.173%0.72744%0.444SS*.G310 helixtrans-97.8-3.4-179.2-168.30000113.1E65 K66E65-S68 WeakPolarHBondContact O-CA 3.47Å; E65-S68 PolarHBondContact O-N 3.12Å; K66-S68 VanDerWaalsContact C-N 3.33Å
69L83.8Confident79Confident21 Ų2178.6 Ų78.611%0.1143%0.432CS..SBendtrans-70.2140.7179.6-66.8179.5000111.1P30 Q32 V35 Y62 E65P30-L69 HydrophobicContact CB-CD1 4.23Å; P30-L69 HydrophobicContact CB-CD2 4.03Å; Q32-L69 PolarHBondContact NE2-O 3.3Å; V35-L69 HydrophobicContact CG2-CD1 3.72Å; Y62-L69 HydrophobicContact CD1-CD2 4.31Å; E65-L69 PolarHBondContact O-N 2.78Å
70P80.1Confident78.1Confident76 Ų7679.1 Ų79.149%0.49444%0.438SS..SBendtrans-67.3155179.728.3-35.7000112.4V29 P30 S31 Q32V29-P70 HydrophobicContact CG1-CG 4.47Å; P30-P70 WeakPolarHBondContact O-CD 3.49Å; S31-P70 CarbonylContact C-O 3.56Å; S31-P70 WeakPolarHBondContact CA-O 3.3Å; S31-P70 WeakPolarHBondContact CB-O 3.25Å; Q32-P70 PolarHBondContact N-O 3.44Å
71G79.3Confident76.9Confident38 Ų3875.7 Ų75.739%0.39243%0.426SS..SBendtrans107.7175.1174.200000114.3Q32Q32-G71 WeakPolarHBondContact CG-O 3.4Å
72V75.3Confident75.4Confident76 Ų7674.4 Ų74.446%0.46142%0.42SS..  trans-112.9132.2177.4-176.60000108.9K74 Y79 L136V72-K74 PolarHBondContact O-N 2.9Å; V72-Y79 PolarHBondContact O-OH 2.93Å; V72-L136 HydrophobicContact CG2-CD1 3.63Å
73K77.6Confident73.7Confident102 Ų10278.9 Ų78.944%0.44345%0.449SS..  trans-69.7106.6174.6-164.3172.9-176.4172.70109.7Q32 A36 E39Q32-K73 HydrophobicContact CB-CB 4.36Å; A36-K73 HydrophobicContact CB-CG 3.91Å; E39-K73 IonicContact OE1-NZ 3.78Å; E39-K73 PolarHBondContact OE1-NZ 3.13Å; E39-K73 IonicContact OE2-NZ 2.69Å; E39-K73 PolarHBondContact OE2-NZ 2.98Å
74K77.8Confident72.3Confident95 Ų9575.5 Ų75.541%0.41344%0.436SS..  trans-97.6171.4176.5-54.7163.9-171.8156.60110E26 V72 K78 Y79E26-K74 IonicContact OE1-NZ 2.9Å; E26-K74 PolarHBondContact OE1-NZ 2.98Å; E26-K74 IonicContact OE2-NZ 3.35Å; E26-K74 PolarHBondContact OE2-NZ 3.38Å; V72-K74 PolarHBondContact O-N 2.9Å; K74-K78 HydrophobicContact CB-CB 4.4Å; K74-Y79 HydrophobicContact CB-CE1 4.33Å; K74-Y79 HydrophobicContact CB-CE2 3.82Å; K74-Y79 VanDerWaalsContact CB-OH 3.31Å; K74-Y79 WeakPolarHBondContact CB-OH 3.34Å; K74-Y79 HydrophobicContact CD-CE1 4.13Å; K74-Y79 WeakPolarHBondContact CG-OH 3.49Å; K74-Y79 PolarHBondContact N-OH 3.25Å; K74-Y79 WeakPolarHBondContact O-CE2 3.12Å
75A73.1Confident70.6Confident68 Ų6873.7 Ų73.756%0.56243%0.431SS*.  trans-64.5145.9173.800000111.2G77 K78A75-G77 VanDerWaalsContact C-N 3.27Å; A75-G77 PolarHBondContact O-N 2.82Å; A75-K78 WeakPolarHBondContact O-CB 3.12Å; A75-K78 PolarHBondContact O-N 3.42Å
76L68.4Low68.9Low68 Ų6871.5 Ų71.536%0.35642%0.423SS..G310 helixtrans-56.4-37.4-177.4-75.4154.7000113.1L6 V37 A40 K78 Y79L6-L76 HydrophobicContact CD1-CD2 4.03Å; V37-L76 HydrophobicContact CG2-CD2 4.12Å; A40-L76 HydrophobicContact CB-CD1 3.64Å; A40-L76 HydrophobicContact CB-CD2 3.68Å; A40-L76 HydrophobicContact CB-CG 4.32Å; L76-K78 PolarHBondContact O-N 3.44Å; L76-Y79 PolarHBondContact O-N 3.28Å
77G67.1Low67.3Low15 Ų1575.1 Ų75.116%0.15545%0.448CS..G310 helixtrans-69.16.7173.500000115.3M1 A75 D86M1-G77 CarbonylContact O-C 3.35Å; M1-G77 VanDerWaalsContact O-C 3.32Å; M1-G77 WeakPolarHBondContact O-CA 3.36Å; A75-G77 VanDerWaalsContact C-N 3.27Å; A75-G77 PolarHBondContact O-N 2.82Å; G77-D86 WeakPolarHBondContact CA-OD2 3.29Å
78K72.2Confident65.9Low146 Ų14674 Ų7464%0.63543%0.431SS*.G310 helixtrans-106.4-3.5168.6-60.3-58.3-177.1-1690112.6K74 A75 L76K74-K78 HydrophobicContact CB-CB 4.4Å; A75-K78 WeakPolarHBondContact O-CB 3.12Å; A75-K78 PolarHBondContact O-N 3.42Å; L76-K78 PolarHBondContact O-N 3.44Å
79Y73.7Confident64Low9 Ų972.4 Ų72.44%0.03543%0.43CS..SBendtrans-111.3146.4178.5-60-61.2000110.8G2 I25 A33 A36 V72 K74 L76G2-Y79 CarbonylContact C-O 3.53Å; G2-Y79 WeakPolarHBondContact CA-O 3.22Å; G2-Y79 PolarHBondContact N-O 3.35Å; I25-Y79 HydrophobicContact CG2-CD1 3.86Å; I25-Y79 HydrophobicContact CG2-CG 3.91Å; A33-Y79 HydrophobicContact CB-CD1 3.84Å; A33-Y79 HydrophobicContact CB-CE1 3.25Å; A33-Y79 HydrophobicContact CB-CE2 4.24Å; A33-Y79 VanDerWaalsContact CB-CZ 3.46Å; A36-Y79 HydrophobicContact CB-CE2 4.11Å; V72-Y79 PolarHBondContact O-OH 2.93Å; K74-Y79 HydrophobicContact CB-CE1 4.33Å; K74-Y79 HydrophobicContact CB-CE2 3.82Å; K74-Y79 VanDerWaalsContact CB-OH 3.31Å; K74-Y79 WeakPolarHBondContact CB-OH 3.34Å; K74-Y79 HydrophobicContact CD-CE1 4.13Å; K74-Y79 WeakPolarHBondContact CG-OH 3.49Å; K74-Y79 PolarHBondContact N-OH 3.25Å; K74-Y79 WeakPolarHBondContact O-CE2 3.12Å; L76-Y79 PolarHBondContact O-N 3.28Å
80G69.6Low61.4Low11 Ų1177.3 Ų77.311%0.11347%0.467CS..SBendtrans101.3-174.6177.800000114.6
81P63.5Low59.3Low30 Ų3077.8 Ų77.820%0.19549%0.485CS..  trans-64.2147-172.8-311.3000112.2M1 V14 Y18 D83 V84M1-P81 VanDerWaalsContact CA-O 3.28Å; M1-P81 WeakPolarHBondContact CA-O 3.48Å; V14-P81 HydrophobicContact CG1-CG 4.11Å; Y18-P81 HydrophobicContact CD2-CB 4.24Å; Y18-P81 HydrophobicContact CD2-CG 3.67Å; Y18-P81 HydrophobicContact CE2-CG 4.42Å; Y18-P81 HydrophobicContact CG-CG 4.38Å; P81-D83 PolarHBondContact O-N 3.14Å; P81-V84 HydrophobicContact CB-CG2 3.79Å; P81-V84 HydrophobicContact CG-CG2 3.64Å
82A58.6Low57Low60 Ų6080.3 Ų80.350%0.49650%0.503SS..THydrogen-bonded Turntrans-58.6-37.117800000112.5M1 V84M1-A82 HydrophobicContact CE-CB 3.67Å; M1-A82 VanDerWaalsContact CG-CA 3.48Å; M1-A82 HydrophobicContact CG-CB 4.33Å; M1-A82 PolarHBondContact N-O 3.39Å; A82-V84 VanDerWaalsContact C-N 3.35Å; A82-V84 PolarHBondContact O-N 3.44Å
83D49.7Very low54.9Low158 Ų15883 Ų8385%0.84552%0.52SS*.THydrogen-bonded Turntrans-84.81.8-166.1-53.7-66.8000115.2P81P81-D83 PolarHBondContact O-N 3.14Å
84V50Low52.7Low45 Ų4585 Ų8527%0.27354%0.535SS..SBendtrans-113.7122.3179.3-135.80000109.9M1 G2 V14 P81 A82M1-V84 CarbonylContact C-O 3.45Å; M1-V84 WeakPolarHBondContact CA-O 3.43Å; M1-V84 PolarHBondContact N-O 3.27Å; G2-V84 PolarHBondContact N-O 3.39Å; G2-V84 WeakPolarHBondContact O-CB 3.47Å; V14-V84 HydrophobicContact CG1-CG1 4.37Å; V14-V84 HydrophobicContact CG1-CG2 3.84Å; V14-V84 HydrophobicContact CG2-CG1 4.32Å; P81-V84 HydrophobicContact CB-CG2 3.79Å; P81-V84 HydrophobicContact CG-CG2 3.64Å; A82-V84 VanDerWaalsContact C-N 3.35Å; A82-V84 PolarHBondContact O-N 3.44Å
85E46.3Very low50.7Low171 Ų17185.7 Ų85.780%0.79955%0.551SS**  trans-75.7139.3175.9-75.3-171.4130.300111.4T87E85-T87 PolarHBondContact O-N 3.41Å
86D47.4Very low49Very low72 Ų7291.5 Ų91.539%0.38556%0.564SS.*  trans-74.9111.8178.1-174.53.9000110G77 T88G77-D86 WeakPolarHBondContact CA-OD2 3.29Å; D86-T88 PolarHBondContact OD1-N 2.83Å; D86-T88 VanDerWaalsContact OD1-N 3.17Å; D86-T88 PolarHBondContact OD1-OG1 3.24Å
87T45.8Very low47.5Very low110 Ų11096 Ų9668%0.67559%0.588SS**  trans-92.68.3-179.5540000113.7E85 G89E85-T87 PolarHBondContact O-N 3.41Å; T87-G89 PolarHBondContact O-N 3.09Å; T87-G89 VanDerWaalsContact O-N 3.1Å
88T44.8Very low45.9Very low80 Ų80100.5 Ų100.549%0.49161%0.609SS.*SBendtrans-84.974.4175.362.30000111.4D5 D86D5-T88 HydrophobicContact CB-CG2 4.45Å; D86-T88 PolarHBondContact OD1-N 2.83Å; D86-T88 VanDerWaalsContact OD1-N 3.17Å; D86-T88 PolarHBondContact OD1-OG1 3.24Å
89G39.2Very low44.5Very low69 Ų69101.7 Ų101.771%0.71162%0.622SS**  trans-74.4132.2-165.400000118T87T87-G89 PolarHBondContact O-N 3.09Å; T87-G89 VanDerWaalsContact O-N 3.1Å
90S31.1Very low43.3Very low125 Ų125108.3 Ų108.387%0.87466%0.658SS**  -159.4126.6125.5-82.80000108.5
91G35.5Very low41.8Very low86 Ų86112.6 Ų112.689%0.88768%0.678SS**  trans-65.2138.9-160.400000115.7
92A30Very low41.5Very low91 Ų91117.3 Ų117.375%0.75270%0.701SS**  trans-161.596.7134.900000106
93T31.3Very low41.3Very low133 Ų133121.3 Ų121.382%0.81671%0.714SS**  trans22.5103.4147.243.70000116.3
94D32.2Very low41.3Very low144 Ų144123.1 Ų123.177%0.7771%0.714SS**  24.6118.8123.3-152.96.7000117.2K96D94-K96 PolarHBondContact OD1-N 3.32Å
95S35.6Very low41.4Very low108 Ų108123.5 Ų123.576%0.75573%0.727SS**  trans-128.2107.7151.2-69.40000105.3
96K36.1Very low41.1Very low190 Ų190120.3 Ų120.383%0.82672%0.724SS**SBend-174115.3115.9-94.8167.9-175.5-165.60109.5D94D94-K96 PolarHBondContact OD1-N 3.32Å
97D37.7Very low40.6Very low162 Ų162124.3 Ų124.387%0.86675%0.745SS**  trans140.577.4133.8-151.436.4000110.7
98D34.2Very low40.3Very low110 Ų110126.2 Ų126.259%0.58875%0.751SS**  trans-15354.3168.1-149.52.2000110.5D100 I101D98-D100 PolarHBondContact O-N 3.22Å; D98-I101 WeakPolarHBondContact OD2-CD1 3.41Å
99D43.2Very low40.3Very low171 Ų171131.2 Ų131.291%0.91477%0.769SS**THydrogen-bonded Turntrans-81.943.1168.1-88.1-28.4000110.9
100D48.5Very low40.8Very low148 Ų148136.6 Ų136.679%0.79178%0.776SS**THydrogen-bonded Turntrans-158.836.2162.9-151.513.8000114.5D98D98-D100 PolarHBondContact O-N 3.22Å
101I37.6Very low41.3Very low102 Ų102137.3 Ų137.352%0.52377%0.765SS.*  trans-113.890.6165.7-79.3-171.2000109.7D98 L103D98-I101 WeakPolarHBondContact OD2-CD1 3.41Å; I101-L103 VanDerWaalsContact C-N 3.26Å; I101-L103 HydrophobicContact CG2-CB 3.73Å; I101-L103 HydrophobicContact CG2-CD1 3.42Å; I101-L103 VanDerWaalsContact CG2-CD1 3.42Å; I101-L103 HydrophobicContact CG2-CG 4.14Å; I101-L103 PolarHBondContact O-N 2.92Å
102D56.1Low42.3Very low128 Ų128136.8 Ų136.868%0.68475%0.748SS**  trans-7084.3157.8-178.512.6000109.5F104 G105D102-F104 VanDerWaalsContact C-N 3.29Å; D102-F104 PolarHBondContact OD1-N 2.78Å; D102-G105 PolarHBondContact OD1-N 3.49Å
103L54.3Low43.4Very low145 Ų145140.4 Ų140.476%0.75975%0.749SS**THydrogen-bonded Turntrans-92.219.2174.2-134.587.2000113.2I101I101-L103 VanDerWaalsContact C-N 3.26Å; I101-L103 HydrophobicContact CG2-CB 3.73Å; I101-L103 HydrophobicContact CG2-CD1 3.42Å; I101-L103 VanDerWaalsContact CG2-CD1 3.42Å; I101-L103 HydrophobicContact CG2-CG 4.14Å; I101-L103 PolarHBondContact O-N 2.92Å
104F50.3Low44.3Very low196 Ų196141.5 Ų141.586%0.8675%0.745SS**THydrogen-bonded Turntrans-122.529.8161.6-99.9-86.4000111.3D102 S106D102-F104 VanDerWaalsContact C-N 3.29Å; D102-F104 PolarHBondContact OD1-N 2.78Å; F104-S106 PolarHBondContact O-N 2.92Å
105G52.1Low45.3Very low53 Ų53135.5 Ų135.555%0.54672%0.715SS.*  trans-64.276157.500000110.8D102D102-G105 PolarHBondContact OD1-N 3.49Å
106S39.4Very low46.4Very low104 Ų104137 Ų13773%0.72771%0.708SS**  trans-151.282.1163.5-600000109.2F104F104-S106 PolarHBondContact O-N 2.92Å
107D38.4Very low47.5Very low155 Ų155137.1 Ų137.183%0.82970%0.704SS**  trans64.297.4132.1-149.741.1000117.8
108D38.8Very low48.4Very low150 Ų150134.7 Ų134.780%0.80269%0.69SS**  -164.6122.9116.4-155.114.8000110.7E110D108-E110 VanDerWaalsContact C-N 3.35Å; D108-E110 PolarHBondContact O-N 3Å
109E44.7Very low49.6Very low186 Ų186136.2 Ų136.287%0.86969%0.688SS**  trans-90.756.5-166.5-160.7177.7-154.600110.4
110E50.2Low50.4Low182 Ų182134.6 Ų134.685%0.8567%0.674SS**  trans-166.986.6173.5-116.4175.8-161.800111.8D108D108-E110 VanDerWaalsContact C-N 3.35Å; D108-E110 PolarHBondContact O-N 3Å
111E41.4Very low50.9Low140 Ų140132.9 Ų132.965%0.65466%0.662SS**  trans-145.5119.9168.9-135.9179.1-174.100113.3A115 R119E111-A115 HydrophobicContact CB-CB 4.33Å; E111-A115 HydrophobicContact CG-CB 4.07Å; E111-R119 IonicContact OE2-NH2 2.77Å
112S55.7Low52Low75 Ų75134 Ų13452%0.52466%0.659SS.*  trans-54164.3-167.172.30000116.7E114 A115S112-E114 PolarHBondContact O-N 2.9Å; S112-A115 WeakPolarHBondContact O-CB 3.1Å; S112-A115 PolarHBondContact O-N 3.4Å
113E53.7Low52Low167 Ų167133.1 Ų133.178%0.7865%0.654SS**Hα-helixtrans-49.6-23.1175.6-65.2-169.7146.600114.3K116 R117E113-K116 PolarHBondContact O-N 3.3Å; E113-R117 PolarHBondContact O-N 2.84Å
114E49.8Very low52.3Low156 Ų156128.8 Ų128.873%0.72964%0.639SS**Hα-helixtrans-69.1-33.7175.1-66.4-165.4145.900113.2S112 K116 R117 L118S112-E114 PolarHBondContact O-N 2.9Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.94Å; E114-R117 PolarHBondContact O-N 3.23Å; E114-L118 PolarHBondContact O-N 2.8Å
115A54.5Low52.6Low17 Ų17122.8 Ų122.814%0.1461%0.613CS.*Hα-helixtrans-71-30177.900000112.1E111 S112 R119E111-A115 HydrophobicContact CB-CB 4.33Å; E111-A115 HydrophobicContact CG-CB 4.07Å; S112-A115 WeakPolarHBondContact O-CB 3.1Å; S112-A115 PolarHBondContact O-N 3.4Å; A115-R119 WeakPolarHBondContact O-CB 3.46Å; A115-R119 WeakPolarHBondContact O-CG 3.42Å; A115-R119 PolarHBondContact O-N 3.19Å
116K58Low52.4Low140 Ų140126.9 Ų126.961%0.60961%0.613SS**Hα-helixtrans-68.2-44.7172.2-67.8-176-178.7179.50111.4E113 E114 L118 R119 E120E113-K116 PolarHBondContact O-N 3.3Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.94Å; K116-L118 VanDerWaalsContact C-N 3.34Å; K116-L118 PolarHBondContact O-N 3.37Å; K116-R119 PolarHBondContact O-N 3.01Å; K116-E120 WeakPolarHBondContact O-CG 3.03Å; K116-E120 PolarHBondContact O-N 3.49Å
117R59.8Low53.4Low193 Ų193128.5 Ų128.573%0.72861%0.61SS**Hα-helixtrans-62.8-39.7175.3-66.8-17176.4-168.53.1112.3E113 E114 E120 E121E113-R117 PolarHBondContact O-N 2.84Å; E114-R117 PolarHBondContact O-N 3.23Å; R117-E120 PolarHBondContact O-N 2.88Å; R117-E121 VanDerWaalsContact O-CB 3.3Å; R117-E121 WeakPolarHBondContact O-CB 3.1Å; R117-E121 PolarHBondContact O-N 3.43Å
118L55.5Low54.3Low111 Ų111124 Ų12458%0.58159%0.59SS**Hα-helixtrans-68.4-36.4177.3-160.277.5000112E114 K116 R122E114-L118 PolarHBondContact O-N 2.8Å; K116-L118 VanDerWaalsContact C-N 3.34Å; K116-L118 PolarHBondContact O-N 3.37Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 WeakPolarHBondContact O-CG 3.49Å; L118-R122 PolarHBondContact O-N 3.26Å
119R59.9Low55.1Low142 Ų142122.7 Ų122.754%0.53658%0.577SS.*Hα-helixtrans-66.2-45.9172.7-78.6-174.9-169.4109.54.6111.5E111 A115 K116 E121 R122 L123E111-R119 IonicContact OE2-NH2 2.77Å; A115-R119 WeakPolarHBondContact O-CB 3.46Å; A115-R119 WeakPolarHBondContact O-CG 3.42Å; A115-R119 PolarHBondContact O-N 3.19Å; K116-R119 PolarHBondContact O-N 3.01Å; R119-E121 PolarHBondContact O-N 2.92Å; R119-R122 CarbonylContact O-C 3.32Å; R119-R122 PolarHBondContact O-N 3Å; R119-L123 WeakPolarHBondContact O-CD1 3.33Å; R119-L123 PolarHBondContact O-N 2.98Å
120E60.3Low55.7Low136 Ų136121.6 Ų121.664%0.63657%0.57SS**Hα-helixtrans-61.7-43.4176.7-76.2176176.800112K116 R117 R122 L123 A124K116-E120 WeakPolarHBondContact O-CG 3.03Å; K116-E120 PolarHBondContact O-N 3.49Å; R117-E120 PolarHBondContact O-N 2.88Å; E120-R122 VanDerWaalsContact C-N 3.27Å; E120-R122 PolarHBondContact O-N 3.44Å; E120-L123 PolarHBondContact O-N 3.37Å; E120-A124 WeakPolarHBondContact O-CB 3.41Å; E120-A124 PolarHBondContact O-N 3.3Å
121E57.8Low55.8Low112 Ų112116.1 Ų116.152%0.52356%0.556SS.*Hα-helixtrans-63-37.1176.1-169.6177.5-177.800111.3R117 R119 Q125R117-E121 VanDerWaalsContact O-CB 3.3Å; R117-E121 WeakPolarHBondContact O-CB 3.1Å; R117-E121 PolarHBondContact O-N 3.43Å; R119-E121 PolarHBondContact O-N 2.92Å; E121-Q125 WeakPolarHBondContact O-CB 3.48Å; E121-Q125 WeakPolarHBondContact O-CG 3.47Å; E121-Q125 PolarHBondContact O-N 3.49Å
122R60.6Low56.2Low126 Ų126117.3 Ų117.348%0.47556%0.559SS.*Hα-helixtrans-71.6-39.2175.5-68.1-74.4-79.8-174.1-9.3111.8L118 R119 E120 Q125 Y126L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 WeakPolarHBondContact O-CG 3.49Å; L118-R122 PolarHBondContact O-N 3.26Å; R119-R122 CarbonylContact O-C 3.32Å; R119-R122 PolarHBondContact O-N 3Å; E120-R122 VanDerWaalsContact C-N 3.27Å; E120-R122 PolarHBondContact O-N 3.44Å; R122-Q125 PolarHBondContact O-N 3.48Å; R122-Y126 WeakPolarHBondContact O-CD2 3.09Å; R122-Y126 PolarHBondContact O-N 2.93Å
123L57.3Low55.9Low110 Ų110121.6 Ų121.658%0.57657%0.568SS**Hα-helixtrans-63.2-44173.3-93.589.5000111.2R119 E120 Q125 Y126 E127R119-L123 WeakPolarHBondContact O-CD1 3.33Å; R119-L123 PolarHBondContact O-N 2.98Å; E120-L123 PolarHBondContact O-N 3.37Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 2.89Å; L123-Y126 CarbonylContact O-C 3.48Å; L123-Y126 WeakPolarHBondContact O-CA 3.47Å; L123-Y126 PolarHBondContact O-N 2.85Å; L123-E127 PolarHBondContact O-N 2.94Å
124A61.3Low55.5Low53 Ų53119.5 Ų119.544%0.43857%0.569SS.*Hα-helixtrans-62.8-37.1174.700000112.1E120 Y126 S128E120-A124 WeakPolarHBondContact O-CB 3.41Å; E120-A124 PolarHBondContact O-N 3.3Å; A124-Y126 VanDerWaalsContact C-N 3.32Å; A124-Y126 PolarHBondContact O-N 3.08Å; A124-S128 VanDerWaalsContact O-CB 3.29Å; A124-S128 WeakPolarHBondContact O-CB 3.43Å; A124-S128 PolarHBondContact O-N 2.95Å; A124-S128 PolarHBondContact O-OG 2.81Å
125Q55.5Low55.7Low70 Ų70115.1 Ų115.133%0.32756%0.559SS.*Hα-helixtrans-67.1-30.6171.4-75.2177.417.400112.8E121 R122 L123 S128 K129E121-Q125 WeakPolarHBondContact O-CB 3.48Å; E121-Q125 WeakPolarHBondContact O-CG 3.47Å; E121-Q125 PolarHBondContact O-N 3.49Å; R122-Q125 PolarHBondContact O-N 3.48Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 2.89Å; Q125-S128 WeakPolarHBondContact CA-OG 3.2Å; Q125-S128 PolarHBondContact O-OG 3.05Å; Q125-S128 VanDerWaalsContact O-OG 3.1Å; Q125-K129 WeakPolarHBondContact O-CB 3.27Å; Q125-K129 WeakPolarHBondContact O-CD 3.22Å; Q125-K129 WeakPolarHBondContact O-CG 3.37Å; Q125-K129 PolarHBondContact O-N 2.8Å
126Y48.6Very low55.7Low139 Ų139120.5 Ų120.555%0.54559%0.585SS.*Hα-helixtrans-80-36.1175.8-85.8-68.4000112.5R122 L123 A124 K129 K130R122-Y126 WeakPolarHBondContact O-CD2 3.09Å; R122-Y126 PolarHBondContact O-N 2.93Å; L123-Y126 CarbonylContact O-C 3.48Å; L123-Y126 WeakPolarHBondContact O-CA 3.47Å; L123-Y126 PolarHBondContact O-N 2.85Å; A124-Y126 VanDerWaalsContact C-N 3.32Å; A124-Y126 PolarHBondContact O-N 3.08Å; Y126-K129 PolarHBondContact O-N 3.33Å; Y126-K130 WeakPolarHBondContact O-CB 3.46Å; Y126-K130 WeakPolarHBondContact O-CG 3.47Å; Y126-K130 PolarHBondContact O-N 2.84Å
127E59.3Low55.8Low139 Ų139116.3 Ų116.365%0.6557%0.571SS**Hα-helixtrans-66-46.5172.4-76.6-173.7155.100111.3L123 K129 K130 A131L123-E127 PolarHBondContact O-N 2.94Å; E127-K129 PolarHBondContact O-N 2.62Å; E127-K130 PolarHBondContact O-N 2.72Å; E127-K130 VanDerWaalsContact O-N 3.09Å; E127-A131 WeakPolarHBondContact O-CB 3.38Å; E127-A131 PolarHBondContact O-N 2.97Å
128S57.3Low56.6Low59 Ų59109.4 Ų109.441%0.41356%0.555SS.*Hα-helixtrans-64-24.9174.359.40000113.2A124 Q125 K132A124-S128 VanDerWaalsContact O-CB 3.29Å; A124-S128 WeakPolarHBondContact O-CB 3.43Å; A124-S128 PolarHBondContact O-N 2.95Å; A124-S128 PolarHBondContact O-OG 2.81Å; Q125-S128 WeakPolarHBondContact CA-OG 3.2Å; Q125-S128 PolarHBondContact O-OG 3.05Å; Q125-S128 VanDerWaalsContact O-OG 3.1Å; S128-K132 WeakPolarHBondContact O-CG 3.43Å
129K57Low58Low124 Ų124108.2 Ų108.254%0.53955%0.545SS..Hα-helixtrans-82.8-31.6171.4-75.6174.1-174178.80113Q125 Y126 E127 K132Q125-K129 WeakPolarHBondContact O-CB 3.27Å; Q125-K129 WeakPolarHBondContact O-CD 3.22Å; Q125-K129 WeakPolarHBondContact O-CG 3.37Å; Q125-K129 PolarHBondContact O-N 2.8Å; Y126-K129 PolarHBondContact O-N 3.33Å; E127-K129 PolarHBondContact O-N 2.62Å; K129-K132 PolarHBondContact O-N 3.1Å
130K55.9Low59.3Low163 Ų163101.5 Ų101.571%0.70952%0.52SS*.Hα-helixtrans-71.5-33.5171.9-80.7-172.7175.5179.70111.9Y126 E127 K132 K133Y126-K130 WeakPolarHBondContact O-CB 3.46Å; Y126-K130 WeakPolarHBondContact O-CG 3.47Å; Y126-K130 PolarHBondContact O-N 2.84Å; E127-K130 PolarHBondContact O-N 2.72Å; E127-K130 VanDerWaalsContact O-N 3.09Å; K130-K132 PolarHBondContact O-N 2.63Å; K130-K133 PolarHBondContact O-N 3.41Å
131A53.4Low60.7Low67 Ų6795.5 Ų95.555%0.55449%0.493SS*.THydrogen-bonded Turntrans-69.2-11.1173.900000114.2E127 K133E127-A131 WeakPolarHBondContact O-CB 3.38Å; E127-A131 PolarHBondContact O-N 2.97Å; A131-K133 VanDerWaalsContact C-N 3.34Å
132K50.2Low62.3Low165 Ų16590.2 Ų90.272%0.71747%0.468SS*.THydrogen-bonded Turntrans-85.71.2175.1-74.5174.1-173.4-175.40114.1S128 K129 K130S128-K132 WeakPolarHBondContact O-CG 3.43Å; K129-K132 PolarHBondContact O-N 3.1Å; K130-K132 PolarHBondContact O-N 2.63Å
133K49.1Very low63.8Low165 Ų16586 Ų8672%0.71746%0.455SS*.SBendtrans-72.9124.1161.5-68-175.2-179.3-177.40106.6K130 A131 A135K130-K133 PolarHBondContact O-N 3.41Å; A131-K133 VanDerWaalsContact C-N 3.34Å; K133-A135 VanDerWaalsContact C-N 3.28Å; K133-A135 PolarHBondContact O-N 3.18Å
134P44.8Very low65.5Low123 Ų12380.8 Ų80.880%0.79943%0.428SS*.  trans-68.991.5-179.428.2-31.8000108.3
135A53.8Low66.9Low63 Ų6378.8 Ų78.852%0.52141%0.41SS..  trans-59.6153.3154.800000107.2K133 V137K133-A135 VanDerWaalsContact C-N 3.28Å; K133-A135 PolarHBondContact O-N 3.18Å; A135-V137 WeakPolarHBondContact O-CG2 3.16Å; A135-V137 PolarHBondContact O-N 3.19Å
136L54.6Low68.6Low131 Ų13175.5 Ų75.569%0.68639%0.394SS*.  trans-61.991.4168.7-81.5100.6000107.5V72 A138V72-L136 HydrophobicContact CG2-CD1 3.63Å; L136-A138 PolarHBondContact O-N 3.35Å
137V59.8Low70.6Confident52 Ų5271.6 Ų71.632%0.31538%0.38SS..  trans-70.699.5177.2-177.80000106.3A135 K139 E194A135-V137 WeakPolarHBondContact O-CG2 3.16Å; A135-V137 PolarHBondContact O-N 3.19Å; V137-K139 HydrophobicContact CG1-CG 4.1Å; V137-K139 PolarHBondContact O-N 3.33Å; V137-E194 HydrophobicContact CG1-CB 3.57Å; V137-E194 VanDerWaalsContact CG1-CD 3.47Å; V137-E194 HydrophobicContact CG1-CG 3.41Å; V137-E194 VanDerWaalsContact CG1-CG 3.41Å
138A76.8Confident72.1Confident48 Ų4865 Ų6540%0.39735%0.349SS..  trans-61.9124.8167.900000107.3L136 D195L136-A138 PolarHBondContact O-N 3.35Å; A138-D195 HydrophobicContact CB-CB 4.29Å; A138-D195 PolarHBondContact O-N 3.24Å
139K84.8Confident73.5Confident86 Ų8669 Ų6937%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-110.1142.4178.7-70.1-179.3-172.3-173.30108V137 V192 V193 E194 I225V137-K139 HydrophobicContact CG1-CG 4.1Å; V137-K139 PolarHBondContact O-N 3.33Å; K139-V192 HydrophobicContact CB-CG1 4.25Å; K139-V192 HydrophobicContact CD-CG1 4.37Å; K139-V193 CarbonylContact C-O 3.42Å; K139-V193 VanDerWaalsContact CA-O 3.25Å; K139-V193 WeakPolarHBondContact CA-O 3.42Å; K139-E194 HydrophobicContact CG-CG 4.38Å; K139-I225 HydrophobicContact CB-CD1 3.87Å; K139-I225 HydrophobicContact CB-CG1 3.61Å; K139-I225 PolarHBondContact N-O 2.95Å; K139-I225 WeakPolarHBondContact O-CG1 3.24Å; K139-I225 PolarHBondContact O-N 3.49Å
140S87.8Confident74.8Confident0 Ų066.9 Ų66.90%035%0.35CS..EExtended strand (participates in β ladder)trans-120127.9172.2-66.20000109V192 V193 D195 F222 N223S140-V192 WeakPolarHBondContact O-CA 3.31Å; S140-V193 PolarHBondContact N-O 3.06Å; S140-V193 WeakPolarHBondContact O-CG2 3.48Å; S140-V193 PolarHBondContact O-N 3.11Å; S140-D195 WeakPolarHBondContact CB-OD1 3.34Å; S140-D195 PolarHBondContact N-OD1 3.34Å; S140-D195 VanDerWaalsContact OG-CG 3.26Å; S140-D195 PolarHBondContact OG-OD1 3.49Å; S140-D195 PolarHBondContact OG-OD2 3.29Å; S140-D195 VanDerWaalsContact OG-OD2 3.1Å; S140-F222 WeakPolarHBondContact OG-CZ 3.47Å; S140-N223 CarbonylContact C-O 3.59Å; S140-N223 WeakPolarHBondContact CA-O 3.39Å
141S89.8Confident76Confident10 Ų1063.6 Ų63.67%0.0734%0.34CS..EExtended strand (participates in β ladder)trans-88.4113.8166.6178.50000108.5Q190 C191 N223S141-Q190 PolarHBondContact OG-NE2 3.17Å; S141-C191 CarbonylContact C-O 3.53Å; S141-C191 WeakPolarHBondContact CA-O 3.49Å; S141-N223 PolarHBondContact N-O 3.43Å; S141-N223 PolarHBondContact O-N 3.36Å
142I90.5Very high77.3Confident1 Ų168.9 Ų68.91%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-110.3140-179.4-44.4-174.8000108.1L144 Q190 C191 V193 T200 V219 F222I142-L144 HydrophobicContact CG2-CD2 3.66Å; I142-L144 HydrophobicContact CG2-CG 4.18Å; I142-Q190 CarbonylContact O-C 3.55Å; I142-Q190 WeakPolarHBondContact O-CA 3.28Å; I142-C191 PolarHBondContact N-O 3.3Å; I142-C191 PolarHBondContact O-N 3.38Å; I142-C191 VanDerWaalsContact O-O 3.14Å; I142-V193 HydrophobicContact CD1-CG2 3.65Å; I142-V193 HydrophobicContact CG1-CG2 4.12Å; I142-T200 HydrophobicContact CD1-CG2 3.32Å; I142-V219 HydrophobicContact CG2-CG1 4Å; I142-F222 HydrophobicContact CD1-CD2 3.84Å; I142-F222 HydrophobicContact CD1-CE2 3.71Å; I142-F222 HydrophobicContact CG1-CD2 3.7Å; I142-F222 HydrophobicContact CG1-CE2 3.85Å; I142-F222 HydrophobicContact CG2-CD2 4.38Å
143L92.5Very high78.8Confident38 Ų3862.2 Ų62.220%0.19933%0.326CS..EExtended strand (participates in β ladder)trans-117.2115.7176.5177.7150.2000107.6Q188 A220 A221L143-Q188 HydrophobicContact CD1-CG 4.15Å; L143-Q188 HydrophobicContact CD2-CG 3.7Å; L143-Q188 HydrophobicContact CG-CG 3.89Å; L143-A220 HydrophobicContact CD2-CB 3.29Å; L143-A220 PolarHBondContact O-N 3.09Å; L143-A221 HydrophobicContact CB-CB 4.18Å; L143-A221 HydrophobicContact CD2-CB 4.42Å; L143-A221 PolarHBondContact N-O 2.96Å; L143-A221 PolarHBondContact O-N 3.22Å
144L91.8Very high80.5Confident1 Ų157.6 Ų57.61%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-107.4129.2-170.1-61.1176.7000109.2I142 W172 Q188 I189 I207 M217 V219I142-L144 HydrophobicContact CG2-CD2 3.66Å; I142-L144 HydrophobicContact CG2-CG 4.18Å; L144-W172 HydrophobicContact CD1-CH2 4.4Å; L144-W172 HydrophobicContact CD1-CZ3 4.23Å; L144-Q188 CarbonylContact O-C 3.52Å; L144-Q188 VanDerWaalsContact O-CA 3.32Å; L144-Q188 WeakPolarHBondContact O-CA 3.34Å; L144-I189 HydrophobicContact CB-CG2 3.99Å; L144-I189 PolarHBondContact N-O 3.1Å; L144-I189 PolarHBondContact O-N 2.64Å; L144-I207 HydrophobicContact CD1-CD1 3.88Å; L144-M217 HydrophobicContact CD1-CE 4.33Å; L144-M217 HydrophobicContact CD2-CE 3.3Å; L144-M217 HydrophobicContact CD2-SD 4.26Å; L144-M217 HydrophobicContact CG-CE 4.36Å; L144-V219 HydrophobicContact CD2-CG2 4.12Å
145D92.1Very high82.2Confident11 Ų1153.3 Ų53.36%0.05928%0.28CS..EExtended strand (participates in β ladder)trans-102.4112.8172-83.7-2.7000108.4K186 L187 Q188 D218 A220D145-K186 HydrophobicContact CB-CD 4.28Å; D145-K186 WeakPolarHBondContact OD2-CD 3.46Å; D145-K186 WeakPolarHBondContact OD2-CE 3.33Å; D145-K186 IonicContact OD2-NZ 2.79Å; D145-K186 PolarHBondContact OD2-NZ 3.03Å; D145-L187 CarbonylContact C-O 3.6Å; D145-L187 WeakPolarHBondContact CA-O 3.47Å; D145-Q188 VanDerWaalsContact OD1-CB 3.3Å; D145-Q188 WeakPolarHBondContact OD1-CB 3.2Å; D145-Q188 VanDerWaalsContact OD1-CD 3.29Å; D145-Q188 WeakPolarHBondContact OD1-CG 3.36Å; D145-D218 HydrophobicContact CB-CB 4.19Å; D145-D218 PolarHBondContact N-O 3.37Å; D145-D218 PolarHBondContact O-N 3.4Å; D145-A220 HydrophobicContact CB-CB 4.24Å; D145-A220 WeakPolarHBondContact OD2-CB 3.45Å
146V90.4Very high83.8Confident0 Ų053.5 Ų53.50%028%0.281CS..EExtended strand (participates in β ladder)trans-102.5119.6176.6-170.10000108.6L158 L187 I207 V214V146-L158 HydrophobicContact CB-CD2 4.24Å; V146-L158 HydrophobicContact CG1-CD1 4.42Å; V146-L158 HydrophobicContact CG1-CD2 3.9Å; V146-L187 HydrophobicContact CB-CB 4.36Å; V146-L187 PolarHBondContact N-O 3.06Å; V146-L187 PolarHBondContact O-N 3.14Å; V146-I207 HydrophobicContact CG1-CG2 4.12Å; V146-I207 HydrophobicContact CG2-CG2 4.04Å; V146-V214 HydrophobicContact CG1-CB 4.15Å; V146-V214 HydrophobicContact CG1-CG1 3.56Å; V146-V214 HydrophobicContact CG1-CG2 3.57Å
147K90.4Very high85.3Confident57 Ų5752 Ų5225%0.24827%0.269CS..EExtended strand (participates in β ladder)trans-94.5126.7176-80.2-169.6-169.674.50110.5K186 Q215 S216 D218K147-K186 HydrophobicContact CG-CB 4.33Å; K147-Q215 PolarHBondContact O-N 3.48Å; K147-S216 PolarHBondContact N-O 3.48Å; K147-S216 PolarHBondContact O-N 3.44Å; K147-D218 IonicContact NZ-OD2 3.74Å; K147-D218 PolarHBondContact NZ-OD2 3.34Å
148P90.7Very high86.6Confident2 Ų249.6 Ų49.61%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-75.5170.5168.134.4-35.6000111.2T153 M155 L158 I184 K185 Y213P148-T153 HydrophobicContact CB-CG2 3.99Å; P148-M155 HydrophobicContact CB-SD 4.29Å; P148-M155 HydrophobicContact CG-CE 4.31Å; P148-M155 HydrophobicContact CG-SD 3.94Å; P148-L158 HydrophobicContact CB-CD1 4.14Å; P148-I184 HydrophobicContact CG-CG2 4.2Å; P148-K185 WeakPolarHBondContact CD-O 3.26Å; P148-K185 WeakPolarHBondContact CG-O 2.99Å; P148-Y213 VanDerWaalsContact CA-O 3.31Å; P148-Y213 WeakPolarHBondContact CA-O 3.4Å
149W86.6Confident87.1Confident143 Ų14349.6 Ų49.654%0.54225%0.246SC..SBendtrans-68.8-41.1174-75102.3000113.3E211 V214 Q215W149-E211 PolarHBondContact NE1-O 3.4Å; W149-V214 PolarHBondContact NE1-O 3.06Å; W149-Q215 HydrophobicContact CD2-CB 3.92Å; W149-Q215 HydrophobicContact CD2-CG 4.23Å; W149-Q215 HydrophobicContact CE3-CB 4.18Å; W149-Q215 HydrophobicContact CE3-CG 3.99Å; W149-Q215 HydrophobicContact CG-CB 4.23Å; W149-Q215 HydrophobicContact CH2-CG 4.31Å; W149-Q215 HydrophobicContact CZ3-CG 4.04Å
150D84.9Confident87.3Confident79 Ų7952.2 Ų52.242%0.42226%0.259SS..SBendtrans-155176-177.2-153.92.1000112.9E152 T153D150-E152 VanDerWaalsContact C-N 3.25Å; D150-E152 PolarHBondContact O-N 3.28Å; D150-T153 PolarHBondContact O-N 3.17Å; D150-T153 PolarHBondContact O-OG1 3.29Å
151D81.9Confident87.3Confident94 Ų9453.5 Ų53.550%0.50327%0.268SS..THydrogen-bonded Turntrans-71-14.5177.873.4-19.3000114.5I184D151-I184 HydrophobicContact CB-CG1 4.31Å
152E80.2Confident87.2Confident177 Ų17753.1 Ų53.183%0.82727%0.265SS*.THydrogen-bonded Turntrans-80.4-12.7172.7-62.6-166.9156.800113.8D150 D154D150-E152 VanDerWaalsContact C-N 3.25Å; D150-E152 PolarHBondContact O-N 3.28Å; E152-D154 PolarHBondContact O-N 2.91Å
153T80.8Confident87.1Confident25 Ų2557.1 Ų57.115%0.15328%0.281CS..SBendtrans-67.9131.5-179.3-520000111.4P148 D150 M155 Y213P148-T153 HydrophobicContact CB-CG2 3.99Å; D150-T153 PolarHBondContact O-N 3.17Å; D150-T153 PolarHBondContact O-OG1 3.29Å; T153-M155 PolarHBondContact O-N 2.91Å; T153-Y213 HydrophobicContact CG2-CD1 3.87Å
154D85.4Confident87Confident69 Ų6958.7 Ų58.737%0.36929%0.294SS..  trans-70.6100.9179.4-170.6-18.9000111.2E152 A156 K157 L158E152-D154 PolarHBondContact O-N 2.91Å; D154-A156 PolarHBondContact O-N 2.87Å; D154-A156 WeakPolarHBondContact OD1-CB 3.43Å; D154-A156 PolarHBondContact OD1-N 3Å; D154-K157 HydrophobicContact CB-CB 4.17Å; D154-K157 HydrophobicContact CB-CD 4.01Å; D154-K157 HydrophobicContact CB-CG 4.17Å; D154-K157 PolarHBondContact O-N 2.64Å; D154-K157 PolarHBondContact OD1-N 3.17Å; D154-K157 WeakPolarHBondContact OD2-CD 3.35Å; D154-K157 WeakPolarHBondContact OD2-CE 3.21Å; D154-K157 WeakPolarHBondContact OD2-CG 3.31Å; D154-K157 IonicContact OD2-NZ 2.82Å; D154-L158 PolarHBondContact O-N 3.06Å
155M81.6Confident86.8Confident33 Ų3359 Ų5916%0.16330%0.296CS..Hα-helixtrans-63.3-27.6-178.7-58.8-55.3-69.400113.3P148 T153 E159 L177 K185 L187P148-M155 HydrophobicContact CB-SD 4.29Å; P148-M155 HydrophobicContact CG-CE 4.31Å; P148-M155 HydrophobicContact CG-SD 3.94Å; T153-M155 PolarHBondContact O-N 2.91Å; M155-E159 PolarHBondContact O-N 3.34Å; M155-L177 HydrophobicContact CB-CD1 4.39Å; M155-L177 HydrophobicContact CB-CD2 4.17Å; M155-L177 HydrophobicContact CE-CD2 3.56Å; M155-L177 HydrophobicContact CG-CD2 4.41Å; M155-K185 WeakPolarHBondContact CE-O 3.41Å; M155-L187 HydrophobicContact CE-CB 4.09Å
156A86.1Confident86.4Confident66 Ų6666.9 Ų66.955%0.54533%0.332SS..Hα-helixtrans-72.6-40.917900000110.8D154 E159 E160D154-A156 PolarHBondContact O-N 2.87Å; D154-A156 WeakPolarHBondContact OD1-CB 3.43Å; D154-A156 PolarHBondContact OD1-N 3Å; A156-E159 PolarHBondContact O-N 3.18Å; A156-E160 WeakPolarHBondContact O-CB 3.48Å; A156-E160 PolarHBondContact O-N 2.83Å
157K86.5Confident86Confident101 Ų10168.2 Ų68.244%0.43934%0.344SS..Hα-helixtrans-66.4-40.3173.6-70.3179.8-172169.30112D154 E159 E160 C161 Y213D154-K157 HydrophobicContact CB-CB 4.17Å; D154-K157 HydrophobicContact CB-CD 4.01Å; D154-K157 HydrophobicContact CB-CG 4.17Å; D154-K157 PolarHBondContact O-N 2.64Å; D154-K157 PolarHBondContact OD1-N 3.17Å; D154-K157 WeakPolarHBondContact OD2-CD 3.35Å; D154-K157 WeakPolarHBondContact OD2-CE 3.21Å; D154-K157 WeakPolarHBondContact OD2-CG 3.31Å; D154-K157 IonicContact OD2-NZ 2.82Å; K157-E159 VanDerWaalsContact C-N 3.31Å; K157-E159 PolarHBondContact O-N 3.34Å; K157-E160 PolarHBondContact O-N 3.48Å; K157-C161 WeakPolarHBondContact O-CB 3.42Å; K157-C161 PolarHBondContact O-N 2.87Å; K157-C161 PolarHBondContact O-SG 2.88Å; K157-Y213 HydrophobicContact CB-CE1 4.39Å; K157-Y213 HydrophobicContact CD-CE1 4.47Å
158L86.4Confident85.5Confident1 Ų171.2 Ų71.21%0.00536%0.363CS..Hα-helixtrans-59.2-45.7175.7-169.4160.3000110.4V146 P148 D154 E160 C161 V162 L187 Y213 V214V146-L158 HydrophobicContact CB-CD2 4.24Å; V146-L158 HydrophobicContact CG1-CD1 4.42Å; V146-L158 HydrophobicContact CG1-CD2 3.9Å; P148-L158 HydrophobicContact CB-CD1 4.14Å; D154-L158 PolarHBondContact O-N 3.06Å; L158-E160 PolarHBondContact O-N 3.45Å; L158-C161 PolarHBondContact O-N 3.13Å; L158-V162 HydrophobicContact CD2-CG2 4.09Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.06Å; L158-L187 HydrophobicContact CD2-CB 4.1Å; L158-L187 HydrophobicContact CD2-CD2 3.38Å; L158-L187 HydrophobicContact CD2-CG 4.37Å; L158-Y213 WeakPolarHBondContact CD1-O 3.38Å; L158-V214 HydrophobicContact CD1-CG2 4.26Å; L158-V214 HydrophobicContact CG-CG2 4.27Å
159E87.8Confident85.1Confident48 Ų4871.8 Ų71.822%0.22437%0.368CS..Hα-helixtrans-62.6-41.4175-176176.6172.200112.5M155 A156 K157 V162 R163 S175 L187M155-E159 PolarHBondContact O-N 3.34Å; A156-E159 PolarHBondContact O-N 3.18Å; K157-E159 VanDerWaalsContact C-N 3.31Å; K157-E159 PolarHBondContact O-N 3.34Å; E159-V162 PolarHBondContact O-N 2.86Å; E159-R163 HydrophobicContact CG-CG 4.37Å; E159-R163 WeakPolarHBondContact O-CB 3.43Å; E159-R163 VanDerWaalsContact O-CG 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.5Å; E159-R163 PolarHBondContact O-N 3.43Å; E159-R163 IonicContact OE1-CZ 3.8Å; E159-R163 VanDerWaalsContact OE1-CZ 3.24Å; E159-R163 IonicContact OE1-NE 2.82Å; E159-R163 PolarHBondContact OE1-NE 3.36Å; E159-R163 IonicContact OE1-NH2 3.24Å; E159-R163 PolarHBondContact OE1-NH2 3.46Å; E159-S175 WeakPolarHBondContact OE1-CB 3.48Å; E159-S175 PolarHBondContact OE1-OG 3.17Å; E159-S175 PolarHBondContact OE2-OG 3.24Å; E159-L187 HydrophobicContact CB-CD1 4.48Å; E159-L187 HydrophobicContact CB-CD2 4.02Å; E159-L187 HydrophobicContact CG-CD2 4.41Å
160E89.5Confident85.1Confident140 Ų14066 Ų6665%0.65435%0.348SS*.Hα-helixtrans-63.2-42.8176.5-169.7174.8-169.800112A156 K157 L158 R163 S164A156-E160 WeakPolarHBondContact O-CB 3.48Å; A156-E160 PolarHBondContact O-N 2.83Å; K157-E160 PolarHBondContact O-N 3.48Å; L158-E160 PolarHBondContact O-N 3.45Å; E160-R163 PolarHBondContact O-N 3.12Å; E160-S164 WeakPolarHBondContact O-CB 3.08Å; E160-S164 PolarHBondContact O-N 3.24Å
161C87.1Confident85.3Confident28 Ų2866.6 Ų66.619%0.18935%0.354CS..Hα-helixtrans-59.4-49.1174.1-73.30000111K157 L158 R163 S164 F210K157-C161 WeakPolarHBondContact O-CB 3.42Å; K157-C161 PolarHBondContact O-N 2.87Å; K157-C161 PolarHBondContact O-SG 2.88Å; L158-C161 PolarHBondContact O-N 3.13Å; C161-R163 VanDerWaalsContact C-N 3.34Å; C161-R163 PolarHBondContact O-N 3.21Å; C161-S164 WeakPolarHBondContact O-CB 3.19Å; C161-S164 PolarHBondContact O-N 3.09Å; C161-S164 VanDerWaalsContact O-N 3.13Å; C161-S164 PolarHBondContact O-OG 2.88Å; C161-F210 HydrophobicContact CB-CD1 4.16Å; C161-F210 HydrophobicContact CB-CD2 4.31Å; C161-F210 HydrophobicContact CB-CE1 4.09Å; C161-F210 HydrophobicContact CB-CE2 4.25Å; C161-F210 HydrophobicContact CB-CG 4.27Å; C161-F210 HydrophobicContact CB-CZ 4.14Å
162V88Confident85.8Confident1 Ų164.1 Ų64.11%0.00634%0.338CS..Hα-helixtrans-62.7-41.4178175.90000111.2L158 E159 S164 I165 W172 I189 I207L158-V162 HydrophobicContact CD2-CG2 4.09Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.06Å; E159-V162 PolarHBondContact O-N 2.86Å; V162-S164 VanDerWaalsContact C-N 3.28Å; V162-S164 PolarHBondContact O-N 2.81Å; V162-I165 WeakPolarHBondContact O-CB 3.48Å; V162-I165 PolarHBondContact O-N 3.42Å; V162-W172 HydrophobicContact CG1-CE3 4.26Å; V162-W172 HydrophobicContact CG1-CH2 3.5Å; V162-W172 VanDerWaalsContact CG1-CH2 3.5Å; V162-W172 HydrophobicContact CG1-CZ2 3.88Å; V162-W172 HydrophobicContact CG1-CZ3 3.7Å; V162-W172 VanDerWaalsContact O-CE2 3.26Å; V162-W172 WeakPolarHBondContact O-CZ2 3.4Å; V162-W172 PolarHBondContact O-NE1 3.25Å; V162-I189 HydrophobicContact CG1-CD1 4.02Å; V162-I189 HydrophobicContact CG1-CG2 4.31Å; V162-I207 HydrophobicContact CG1-CD1 4.5Å; V162-I207 HydrophobicContact CG2-CG2 4.48Å
163R89.3Confident86.3Confident86 Ų8657 Ų5733%0.32531%0.312SS..Hα-helixtrans-71.6-20.5176.8-71.7-177.8-176.2-72-2.6113.7E159 E160 C161 I165 G173 S175 I189E159-R163 HydrophobicContact CG-CG 4.37Å; E159-R163 WeakPolarHBondContact O-CB 3.43Å; E159-R163 VanDerWaalsContact O-CG 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.5Å; E159-R163 PolarHBondContact O-N 3.43Å; E159-R163 IonicContact OE1-CZ 3.8Å; E159-R163 VanDerWaalsContact OE1-CZ 3.24Å; E159-R163 IonicContact OE1-NE 2.82Å; E159-R163 PolarHBondContact OE1-NE 3.36Å; E159-R163 IonicContact OE1-NH2 3.24Å; E159-R163 PolarHBondContact OE1-NH2 3.46Å; E160-R163 PolarHBondContact O-N 3.12Å; C161-R163 VanDerWaalsContact C-N 3.34Å; C161-R163 PolarHBondContact O-N 3.21Å; R163-I165 PolarHBondContact O-N 2.82Å; R163-G173 PolarHBondContact NH1-O 3.23Å; R163-G173 VanDerWaalsContact NH1-O 3.14Å; R163-G173 PolarHBondContact NH2-O 3.03Å; R163-S175 PolarHBondContact NH2-OG 3.29Å; R163-S175 VanDerWaalsContact NH2-OG 3.16Å; R163-I189 HydrophobicContact CG-CD1 4.4Å
164S89.9Confident86.7Confident70 Ų7059.8 Ų59.849%0.4933%0.332SS..Hα-helixtrans-72.8-19177.676.80000112.6E160 C161 V162 Q166E160-S164 WeakPolarHBondContact O-CB 3.08Å; E160-S164 PolarHBondContact O-N 3.24Å; C161-S164 WeakPolarHBondContact O-CB 3.19Å; C161-S164 PolarHBondContact O-N 3.09Å; C161-S164 VanDerWaalsContact O-N 3.13Å; C161-S164 PolarHBondContact O-OG 2.88Å; V162-S164 VanDerWaalsContact C-N 3.28Å; V162-S164 PolarHBondContact O-N 2.81Å; S164-Q166 PolarHBondContact O-N 2.69Å; S164-Q166 VanDerWaalsContact O-N 3.13Å
165I87.6Confident87Confident8 Ų858.1 Ų58.14%0.04133%0.326CS..  trans-62.4112.2170.2-64.6166.7000109.2V162 R163 L170 W172 L203 Q206 I207 F210V162-I165 WeakPolarHBondContact O-CB 3.48Å; V162-I165 PolarHBondContact O-N 3.42Å; R163-I165 PolarHBondContact O-N 2.82Å; I165-L170 HydrophobicContact CG2-CD2 3.71Å; I165-W172 HydrophobicContact CB-CZ2 4.04Å; I165-W172 HydrophobicContact CD1-CZ2 4.37Å; I165-W172 HydrophobicContact CG2-CZ2 4.17Å; I165-W172 PolarHBondContact O-NE1 2.9Å; I165-L203 HydrophobicContact CG2-CD2 4.43Å; I165-Q206 HydrophobicContact CD1-CB 3.77Å; I165-Q206 HydrophobicContact CG1-CB 4.13Å; I165-I207 HydrophobicContact CD1-CG1 3.64Å; I165-F210 HydrophobicContact CD1-CE2 4.11Å; I165-F210 HydrophobicContact CG1-CE2 4.19Å
166Q83.8Confident87.5Confident176 Ų17661.7 Ų61.782%0.82234%0.341SS*.  trans-114.9123.1175.6-69-179.810.100109.6S164S164-Q166 PolarHBondContact O-N 2.69Å; S164-Q166 VanDerWaalsContact O-N 3.13Å
167A82.1Confident87.7Confident29 Ų2962.6 Ų62.624%0.2434%0.336CS..  trans-137.1149.2173.100000109.9G169 L170 V198 M202A167-G169 PolarHBondContact O-N 3Å; A167-L170 HydrophobicContact CB-CB 3.93Å; A167-L170 HydrophobicContact CB-CD2 4.24Å; A167-L170 PolarHBondContact O-N 2.9Å; A167-L170 VanDerWaalsContact O-N 3.1Å; A167-V198 HydrophobicContact CB-CG2 4.16Å; A167-M202 HydrophobicContact CB-CE 4.12Å
168D80Confident87.8Confident120 Ų12059.6 Ų59.664%0.64233%0.326SS*.THydrogen-bonded Turntrans-67.9115.6177.1-176.535.2000110.1K197 V198D168-K197 IonicContact OD1-NZ 3.62Å; D168-K197 IonicContact OD2-NZ 3.3Å; D168-K197 PolarHBondContact OD2-NZ 3.05Å; D168-V198 WeakPolarHBondContact O-CG2 3.36Å
169G81.3Confident88Confident13 Ų1364.2 Ų64.213%0.13436%0.356CS..THydrogen-bonded Turntrans943.3-174.200000115A167 V193 E194A167-G169 PolarHBondContact O-N 3Å; G169-V193 CarbonylContact O-C 3.57Å; G169-V193 WeakPolarHBondContact O-CA 3.43Å; G169-E194 PolarHBondContact O-N 3.35Å
170L86.9Confident87.7Confident21 Ų2165.8 Ų65.811%0.1137%0.369CS..EExtended strand (participates in β ladder)trans-97.7126172.3178.366.8000111.1I165 A167 W172 C191 V193 V198 L203I165-L170 HydrophobicContact CG2-CD2 3.71Å; A167-L170 HydrophobicContact CB-CB 3.93Å; A167-L170 HydrophobicContact CB-CD2 4.24Å; A167-L170 PolarHBondContact O-N 2.9Å; A167-L170 VanDerWaalsContact O-N 3.1Å; L170-W172 HydrophobicContact CD1-CZ2 4.46Å; L170-W172 HydrophobicContact CD2-CZ2 3.77Å; L170-W172 HydrophobicContact CG-CZ2 4.47Å; L170-C191 HydrophobicContact CD1-CB 4.03Å; L170-V193 HydrophobicContact CD1-CG1 3.67Å; L170-V198 HydrophobicContact CB-CG2 4.43Å; L170-L203 HydrophobicContact CD1-CD1 4.09Å; L170-L203 HydrophobicContact CD1-CD2 3.75Å; L170-L203 HydrophobicContact CD2-CD2 3.63Å; L170-L203 HydrophobicContact CG-CD2 4.32Å
171V89.3Confident87.4Confident92 Ų9260.7 Ų60.756%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-126.1118.1174.3-179.20000109.8C191 V192V171-C191 CarbonylContact O-C 3.58Å; V171-C191 WeakPolarHBondContact O-CA 3.45Å; V171-V192 HydrophobicContact CB-CB 4.34Å; V171-V192 PolarHBondContact N-O 3.43Å; V171-V192 PolarHBondContact O-N 2.9Å
172W92.1Very high87.1Confident42 Ų4270.4 Ų70.416%0.15939%0.389CS..EExtended strand (participates in β ladder)trans-77.1130.2173.4-65.4111000111.2L144 V162 I165 L170 I189 C191 L203 I207L144-W172 HydrophobicContact CD1-CH2 4.4Å; L144-W172 HydrophobicContact CD1-CZ3 4.23Å; V162-W172 HydrophobicContact CG1-CE3 4.26Å; V162-W172 HydrophobicContact CG1-CH2 3.5Å; V162-W172 VanDerWaalsContact CG1-CH2 3.5Å; V162-W172 HydrophobicContact CG1-CZ2 3.88Å; V162-W172 HydrophobicContact CG1-CZ3 3.7Å; V162-W172 VanDerWaalsContact O-CE2 3.26Å; V162-W172 WeakPolarHBondContact O-CZ2 3.4Å; V162-W172 PolarHBondContact O-NE1 3.25Å; I165-W172 HydrophobicContact CB-CZ2 4.04Å; I165-W172 HydrophobicContact CD1-CZ2 4.37Å; I165-W172 HydrophobicContact CG2-CZ2 4.17Å; I165-W172 PolarHBondContact O-NE1 2.9Å; L170-W172 HydrophobicContact CD1-CZ2 4.46Å; L170-W172 HydrophobicContact CD2-CZ2 3.77Å; L170-W172 HydrophobicContact CG-CZ2 4.47Å; W172-I189 HydrophobicContact CD2-CD1 4.37Å; W172-I189 HydrophobicContact CE3-CD1 3.65Å; W172-I189 HydrophobicContact CE3-CG1 3.98Å; W172-I189 HydrophobicContact CZ3-CD1 4.11Å; W172-I189 HydrophobicContact CZ3-CG1 4.34Å; W172-I189 HydrophobicContact CZ3-CG2 4.1Å; W172-C191 HydrophobicContact CD2-CB 4.44Å; W172-C191 HydrophobicContact CE3-CB 3.62Å; W172-C191 HydrophobicContact CH2-CB 4.44Å; W172-C191 HydrophobicContact CZ3-CB 3.63Å; W172-L203 HydrophobicContact CH2-CD2 4.3Å; W172-L203 HydrophobicContact CZ2-CD2 4.29Å; W172-I207 HydrophobicContact CH2-CD1 4.2Å
173G90Very high86.7Confident27 Ų2772.9 Ų72.928%0.27841%0.414SS..EExtended strand (participates in β ladder)trans-98.5-150.717700000113.1R163 Q190R163-G173 PolarHBondContact NH1-O 3.23Å; R163-G173 VanDerWaalsContact NH1-O 3.14Å; R163-G173 PolarHBondContact NH2-O 3.03Å; G173-Q190 WeakPolarHBondContact CA-O 3.46Å; G173-Q190 PolarHBondContact N-O 3.3Å
174S90.7Very high86.6Confident84 Ų8471.1 Ų71.159%0.58741%0.41SS*.EExtended strand (participates in β ladder)trans-72.1140.4176.956.70000111.7Q190S174-Q190 PolarHBondContact O-N 3.47Å
175S91.3Very high86.4Confident35 Ų3572.8 Ų72.825%0.24541%0.409CS..EExtended strand (participates in β ladder)trans-106.4151.7170.153.10000110.1E159 R163 Q188E159-S175 WeakPolarHBondContact OE1-CB 3.48Å; E159-S175 PolarHBondContact OE1-OG 3.17Å; E159-S175 PolarHBondContact OE2-OG 3.24Å; R163-S175 PolarHBondContact NH2-OG 3.29Å; R163-S175 VanDerWaalsContact NH2-OG 3.16Å; S175-Q188 CarbonylContact C-O 3.55Å; S175-Q188 WeakPolarHBondContact CA-O 3.4Å
176K91.5Very high86.6Confident108 Ų10874.6 Ų74.647%0.4742%0.416SS..EExtended strand (participates in β ladder)trans-144.7146170.666.6-176.9-176.8177.10109.8V178 Q188K176-V178 HydrophobicContact CD-CG2 4.32Å; K176-V178 HydrophobicContact CG-CG2 4.15Å; K176-Q188 VanDerWaalsContact CE-CG 3.47Å; K176-Q188 HydrophobicContact CG-CB 3.81Å; K176-Q188 HydrophobicContact CG-CG 4.23Å; K176-Q188 PolarHBondContact N-O 3.01Å; K176-Q188 VanDerWaalsContact NZ-OE1 3.13Å; K176-Q188 PolarHBondContact O-N 3.38Å
177L89.6Confident86.9Confident84 Ų8466.2 Ų66.244%0.4438%0.377SS..EExtended strand (participates in β ladder)trans-94.4120.8175.3-62.9174.3000109.2M155 K185 K186 L187M155-L177 HydrophobicContact CB-CD1 4.39Å; M155-L177 HydrophobicContact CB-CD2 4.17Å; M155-L177 HydrophobicContact CE-CD2 3.56Å; M155-L177 HydrophobicContact CG-CD2 4.41Å; L177-K185 HydrophobicContact CB-CD 4.47Å; L177-K186 WeakPolarHBondContact CA-O 3.4Å; L177-L187 HydrophobicContact CD2-CB 4.28Å; L177-L187 HydrophobicContact CD2-CD1 3.68Å
178V89.1Confident87.4Confident39 Ų3966 Ų6624%0.23637%0.371CS..EExtended strand (participates in β ladder)trans-110.4123.6179-178.90000109.4K176 V180 K185 K186 Q188K176-V178 HydrophobicContact CD-CG2 4.32Å; K176-V178 HydrophobicContact CG-CG2 4.15Å; V178-V180 PolarHBondContact O-N 3.39Å; V178-K185 CarbonylContact O-C 3.49Å; V178-K185 WeakPolarHBondContact O-CA 3.25Å; V178-K186 HydrophobicContact CB-CG 3.96Å; V178-K186 PolarHBondContact N-O 3.49Å; V178-K186 WeakPolarHBondContact O-CG 3.34Å; V178-K186 PolarHBondContact O-N 2.82Å; V178-Q188 HydrophobicContact CG2-CB 4.23Å; V178-Q188 VanDerWaalsContact CG2-OE1 3.27Å
179P90Very high88Confident97 Ų9760.3 Ų60.363%0.6334%0.341SS*.EExtended strand (participates in β ladder)trans-69.4131.5176.327.9-32.2000110.5K185P179-K185 HydrophobicContact CB-CG 4.49Å
180V83.6Confident88.5Confident82 Ų8263.1 Ų63.150%0.49735%0.35SS..EExtended strand (participates in β ladder)trans-101.1-29.5178.1-172.40000110.8V178 I184 K186V178-V180 PolarHBondContact O-N 3.39Å; V180-I184 PolarHBondContact N-O 2.93Å; V180-K186 HydrophobicContact CG2-CB 3.79Å; V180-K186 HydrophobicContact CG2-CD 3.64Å; V180-K186 HydrophobicContact CG2-CG 3.52Å
181G82.5Confident88.7Confident33 Ų3362.1 Ų62.134%0.3435%0.345SS..EExtended strand (participates in β ladder)trans140.5164.1178.900000111.2G183 I184G181-G183 VanDerWaalsContact C-N 3.25Å; G181-G183 PolarHBondContact O-N 3.05Å; G181-G183 VanDerWaalsContact O-N 3.15Å; G181-I184 PolarHBondContact O-N 3.44Å
182Y80.1Confident88.7Confident232 Ų23259.3 Ų59.391%0.9133%0.328SS*.THydrogen-bonded Turntrans53.735.1175-58.8-85.3000115I184Y182-I184 PolarHBondContact O-N 2.83Å
183G80.3Confident88.6Confident52 Ų5257.4 Ų57.454%0.53632%0.321SS..THydrogen-bonded Turntrans84.6-21.2-177.800000114.4G181G181-G183 VanDerWaalsContact C-N 3.25Å; G181-G183 PolarHBondContact O-N 3.05Å; G181-G183 VanDerWaalsContact O-N 3.15Å
184I85.9Confident88.4Confident49 Ų4957.9 Ų57.925%0.25132%0.316SS..EExtended strand (participates in β ladder)trans-75.8130.3-176.8-53.3172.8000110.9P148 D151 V180 G181 Y182P148-I184 HydrophobicContact CG-CG2 4.2Å; D151-I184 HydrophobicContact CB-CG1 4.31Å; V180-I184 PolarHBondContact N-O 2.93Å; G181-I184 PolarHBondContact O-N 3.44Å; Y182-I184 PolarHBondContact O-N 2.83Å
185K86.9Confident88Confident106 Ų10656.8 Ų56.846%0.46130%0.304SS..EExtended strand (participates in β ladder)trans-116.7134.4174.4-61175.8-171.91680109P148 M155 L177 V178 P179P148-K185 WeakPolarHBondContact CD-O 3.26Å; P148-K185 WeakPolarHBondContact CG-O 2.99Å; M155-K185 WeakPolarHBondContact CE-O 3.41Å; L177-K185 HydrophobicContact CB-CD 4.47Å; V178-K185 CarbonylContact O-C 3.49Å; V178-K185 WeakPolarHBondContact O-CA 3.25Å; P179-K185 HydrophobicContact CB-CG 4.49Å
186K90.6Very high87.3Confident45 Ų4560.9 Ų60.920%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-89.2144.1169.362.2-178.7176.8170.50110.1D145 K147 L177 V178 V180D145-K186 HydrophobicContact CB-CD 4.28Å; D145-K186 WeakPolarHBondContact OD2-CD 3.46Å; D145-K186 WeakPolarHBondContact OD2-CE 3.33Å; D145-K186 IonicContact OD2-NZ 2.79Å; D145-K186 PolarHBondContact OD2-NZ 3.03Å; K147-K186 HydrophobicContact CG-CB 4.33Å; L177-K186 WeakPolarHBondContact CA-O 3.4Å; V178-K186 HydrophobicContact CB-CG 3.96Å; V178-K186 PolarHBondContact N-O 3.49Å; V178-K186 WeakPolarHBondContact O-CG 3.34Å; V178-K186 PolarHBondContact O-N 2.82Å; V180-K186 HydrophobicContact CG2-CB 3.79Å; V180-K186 HydrophobicContact CG2-CD 3.64Å; V180-K186 HydrophobicContact CG2-CG 3.52Å
187L91.3Very high86.6Confident0 Ų060.6 Ų60.60%032%0.322CS..EExtended strand (participates in β ladder)trans-86116.5170.6179.569.7000108.4D145 V146 M155 L158 E159 L177D145-L187 CarbonylContact C-O 3.6Å; D145-L187 WeakPolarHBondContact CA-O 3.47Å; V146-L187 HydrophobicContact CB-CB 4.36Å; V146-L187 PolarHBondContact N-O 3.06Å; V146-L187 PolarHBondContact O-N 3.14Å; M155-L187 HydrophobicContact CE-CB 4.09Å; L158-L187 HydrophobicContact CD2-CB 4.1Å; L158-L187 HydrophobicContact CD2-CD2 3.38Å; L158-L187 HydrophobicContact CD2-CG 4.37Å; E159-L187 HydrophobicContact CB-CD1 4.48Å; E159-L187 HydrophobicContact CB-CD2 4.02Å; E159-L187 HydrophobicContact CG-CD2 4.41Å; L177-L187 HydrophobicContact CD2-CB 4.28Å; L177-L187 HydrophobicContact CD2-CD1 3.68Å
188Q92.1Very high86.1Confident26 Ų2657 Ų5712%0.12130%0.303CS..EExtended strand (participates in β ladder)trans-103.3107.5174.3-176.6163.111.900108.6L143 L144 D145 S175 K176 V178L143-Q188 HydrophobicContact CD1-CG 4.15Å; L143-Q188 HydrophobicContact CD2-CG 3.7Å; L143-Q188 HydrophobicContact CG-CG 3.89Å; L144-Q188 CarbonylContact O-C 3.52Å; L144-Q188 VanDerWaalsContact O-CA 3.32Å; L144-Q188 WeakPolarHBondContact O-CA 3.34Å; D145-Q188 VanDerWaalsContact OD1-CB 3.3Å; D145-Q188 WeakPolarHBondContact OD1-CB 3.2Å; D145-Q188 VanDerWaalsContact OD1-CD 3.29Å; D145-Q188 WeakPolarHBondContact OD1-CG 3.36Å; S175-Q188 CarbonylContact C-O 3.55Å; S175-Q188 WeakPolarHBondContact CA-O 3.4Å; K176-Q188 VanDerWaalsContact CE-CG 3.47Å; K176-Q188 HydrophobicContact CG-CB 3.81Å; K176-Q188 HydrophobicContact CG-CG 4.23Å; K176-Q188 PolarHBondContact N-O 3.01Å; K176-Q188 VanDerWaalsContact NZ-OE1 3.13Å; K176-Q188 PolarHBondContact O-N 3.38Å; V178-Q188 HydrophobicContact CG2-CB 4.23Å; V178-Q188 VanDerWaalsContact CG2-OE1 3.27Å
189I92.9Very high85.6Confident0 Ų057 Ų570%031%0.311CS..EExtended strand (participates in β ladder)trans-117.4134.2-176-168.9166000111L144 V162 R163 W172L144-I189 HydrophobicContact CB-CG2 3.99Å; L144-I189 PolarHBondContact N-O 3.1Å; L144-I189 PolarHBondContact O-N 2.64Å; V162-I189 HydrophobicContact CG1-CD1 4.02Å; V162-I189 HydrophobicContact CG1-CG2 4.31Å; R163-I189 HydrophobicContact CG-CD1 4.4Å; W172-I189 HydrophobicContact CD2-CD1 4.37Å; W172-I189 HydrophobicContact CE3-CD1 3.65Å; W172-I189 HydrophobicContact CE3-CG1 3.98Å; W172-I189 HydrophobicContact CZ3-CD1 4.11Å; W172-I189 HydrophobicContact CZ3-CG1 4.34Å; W172-I189 HydrophobicContact CZ3-CG2 4.1Å
190Q92.4Very high85.1Confident71 Ų7154.7 Ų54.733%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-87.4136.9171.8-173.2177.15.200109.5S141 I142 G173 S174S141-Q190 PolarHBondContact OG-NE2 3.17Å; I142-Q190 CarbonylContact O-C 3.55Å; I142-Q190 WeakPolarHBondContact O-CA 3.28Å; G173-Q190 WeakPolarHBondContact CA-O 3.46Å; G173-Q190 PolarHBondContact N-O 3.3Å; S174-Q190 PolarHBondContact O-N 3.47Å
191C91Very high85.2Confident0 Ų055.9 Ų55.90%030%0.299CS..EExtended strand (participates in β ladder)trans-129.8152165.961.10000110.3S141 I142 L170 V171 W172S141-C191 CarbonylContact C-O 3.53Å; S141-C191 WeakPolarHBondContact CA-O 3.49Å; I142-C191 PolarHBondContact N-O 3.3Å; I142-C191 PolarHBondContact O-N 3.38Å; I142-C191 VanDerWaalsContact O-O 3.14Å; L170-C191 HydrophobicContact CD1-CB 4.03Å; V171-C191 CarbonylContact O-C 3.58Å; V171-C191 WeakPolarHBondContact O-CA 3.45Å; W172-C191 HydrophobicContact CD2-CB 4.44Å; W172-C191 HydrophobicContact CE3-CB 3.62Å; W172-C191 HydrophobicContact CH2-CB 4.44Å; W172-C191 HydrophobicContact CZ3-CB 3.63Å
192V89.4Confident85.3Confident34 Ų3457.2 Ų57.221%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-114.6121.7171.1176.40000106.9K139 S140 V171 I225K139-V192 HydrophobicContact CB-CG1 4.25Å; K139-V192 HydrophobicContact CD-CG1 4.37Å; S140-V192 WeakPolarHBondContact O-CA 3.31Å; V171-V192 HydrophobicContact CB-CB 4.34Å; V171-V192 PolarHBondContact N-O 3.43Å; V171-V192 PolarHBondContact O-N 2.9Å; V192-I225 HydrophobicContact CG1-CD1 3.82Å; V192-I225 HydrophobicContact CG2-CD1 4.34Å
193V89.5Confident85.6Confident2 Ų246.3 Ų46.31%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-113.1146.4178.6-65.30000110.6K139 S140 I142 G169 L170 V198 L203K139-V193 CarbonylContact C-O 3.42Å; K139-V193 VanDerWaalsContact CA-O 3.25Å; K139-V193 WeakPolarHBondContact CA-O 3.42Å; S140-V193 PolarHBondContact N-O 3.06Å; S140-V193 WeakPolarHBondContact O-CG2 3.48Å; S140-V193 PolarHBondContact O-N 3.11Å; I142-V193 HydrophobicContact CD1-CG2 3.65Å; I142-V193 HydrophobicContact CG1-CG2 4.12Å; G169-V193 CarbonylContact O-C 3.57Å; G169-V193 WeakPolarHBondContact O-CA 3.43Å; L170-V193 HydrophobicContact CD1-CG1 3.67Å; V193-V198 HydrophobicContact CB-CB 4.16Å; V193-V198 HydrophobicContact CB-CG1 4.31Å; V193-V198 HydrophobicContact CG1-CB 4.23Å; V193-V198 HydrophobicContact CG1-CG1 3.84Å; V193-L203 HydrophobicContact CG1-CD1 3.65Å
194E86Confident85.9Confident37 Ų3748.1 Ų48.117%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-84.5112.3164.2-62.9-170.2163.600108.5V137 K139 G169 D196 K197 V198V137-E194 HydrophobicContact CG1-CB 3.57Å; V137-E194 VanDerWaalsContact CG1-CD 3.47Å; V137-E194 HydrophobicContact CG1-CG 3.41Å; V137-E194 VanDerWaalsContact CG1-CG 3.41Å; K139-E194 HydrophobicContact CG-CG 4.38Å; G169-E194 PolarHBondContact O-N 3.35Å; E194-D196 PolarHBondContact O-N 3.46Å; E194-D196 VanDerWaalsContact O-N 3.12Å; E194-K197 HydrophobicContact CB-CB 4.46Å; E194-K197 PolarHBondContact O-N 2.97Å; E194-K197 IonicContact OE2-NZ 2.95Å; E194-K197 PolarHBondContact OE2-NZ 2.99Å; E194-V198 PolarHBondContact O-N 3.45Å
195D80.9Confident85.9Confident61 Ų6152.3 Ų52.333%0.32627%0.267SS..THydrogen-bonded Turntrans-58.1-31.8-170.9-70.5-3.7000112.7A138 S140 K197A138-D195 HydrophobicContact CB-CB 4.29Å; A138-D195 PolarHBondContact O-N 3.24Å; S140-D195 WeakPolarHBondContact CB-OD1 3.34Å; S140-D195 PolarHBondContact N-OD1 3.34Å; S140-D195 VanDerWaalsContact OG-CG 3.26Å; S140-D195 PolarHBondContact OG-OD1 3.49Å; S140-D195 PolarHBondContact OG-OD2 3.29Å; S140-D195 VanDerWaalsContact OG-OD2 3.1Å; D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 2.88Å
196D78.4Confident86Confident120 Ų12050.7 Ų50.764%0.64226%0.261SS*.THydrogen-bonded Turntrans-74.6-14.9-179.2-70.5-24.6000113.6E194E194-D196 PolarHBondContact O-N 3.46Å; E194-D196 VanDerWaalsContact O-N 3.12Å
197K76.6Confident85.9Confident103 Ų10348.5 Ų48.545%0.44825%0.252SS..THydrogen-bonded Turntrans-123.7-38.6-172.8-65.7-174.1-175.2172.20114.1D168 E194 D195D168-K197 IonicContact OD1-NZ 3.62Å; D168-K197 IonicContact OD2-NZ 3.3Å; D168-K197 PolarHBondContact OD2-NZ 3.05Å; E194-K197 HydrophobicContact CB-CB 4.46Å; E194-K197 PolarHBondContact O-N 2.97Å; E194-K197 IonicContact OE2-NZ 2.95Å; E194-K197 PolarHBondContact OE2-NZ 2.99Å; D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 2.88Å
198V78.1Confident85.5Confident8 Ų851.1 Ų51.15%0.04827%0.268CS..  trans-120.7102-173.4-175.60000108.6A167 D168 L170 V193 E194 L203A167-V198 HydrophobicContact CB-CG2 4.16Å; D168-V198 WeakPolarHBondContact O-CG2 3.36Å; L170-V198 HydrophobicContact CB-CG2 4.43Å; V193-V198 HydrophobicContact CB-CB 4.16Å; V193-V198 HydrophobicContact CB-CG1 4.31Å; V193-V198 HydrophobicContact CG1-CB 4.23Å; V193-V198 HydrophobicContact CG1-CG1 3.84Å; E194-V198 PolarHBondContact O-N 3.45Å; V198-L203 HydrophobicContact CG1-CD1 4.45Å; V198-L203 HydrophobicContact CG1-CD2 4.46Å; V198-L203 HydrophobicContact CG1-CG 4.24Å
199G78.9Confident85.4Confident38 Ų3853.3 Ų53.339%0.39229%0.29SS..  trans-74.4153.6170.900000111.8D201 M202G199-D201 PolarHBondContact O-N 3.04Å; G199-M202 PolarHBondContact O-N 3.34Å
200T80.3Confident85Confident49 Ų4956.1 Ų56.130%0.30130%0.302SS..Hα-helixtrans-59.9-3317241.90000112.7I142 M202 L203 E204I142-T200 HydrophobicContact CD1-CG2 3.32Å; T200-M202 VanDerWaalsContact C-N 3.31Å; T200-M202 PolarHBondContact O-N 3.47Å; T200-L203 WeakPolarHBondContact O-CB 3.47Å; T200-L203 PolarHBondContact O-N 3.01Å; T200-L203 VanDerWaalsContact O-N 3.14Å; T200-E204 PolarHBondContact O-N 3.24Å
201D84.6Confident84.5Confident108 Ų10859.7 Ų59.758%0.57832%0.319SS*.Hα-helixtrans-63.9-39.6-176.2-49.7-25.8000111G199 L203 E204 E205G199-D201 PolarHBondContact O-N 3.04Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 3.13Å; D201-E204 PolarHBondContact O-N 3.49Å; D201-E205 WeakPolarHBondContact O-CG 3.42Å; D201-E205 PolarHBondContact O-N 3.24Å
202M85.6Confident84.1Confident61 Ų6166.4 Ų66.430%0.336%0.355SS..Hα-helixtrans-63.7-39.6176-178.1-86.1-17900111.8A167 G199 T200 Q206A167-M202 HydrophobicContact CB-CE 4.12Å; G199-M202 PolarHBondContact O-N 3.34Å; T200-M202 VanDerWaalsContact C-N 3.31Å; T200-M202 PolarHBondContact O-N 3.47Å; M202-Q206 HydrophobicContact CE-CG 4.03Å; M202-Q206 WeakPolarHBondContact O-CG 3.37Å; M202-Q206 PolarHBondContact O-N 3.46Å; M202-Q206 VanDerWaalsContact O-N 3.07Å; M202-Q206 HydrophobicContact SD-CG 4.36Å
203L85.6Confident83.8Confident2 Ų268.2 Ų68.21%0.0136%0.359CS..Hα-helixtrans-67.5-40.7175.7-67.6175.5000111.5I165 L170 W172 V193 V198 T200 D201 I207I165-L203 HydrophobicContact CG2-CD2 4.43Å; L170-L203 HydrophobicContact CD1-CD1 4.09Å; L170-L203 HydrophobicContact CD1-CD2 3.75Å; L170-L203 HydrophobicContact CD2-CD2 3.63Å; L170-L203 HydrophobicContact CG-CD2 4.32Å; W172-L203 HydrophobicContact CH2-CD2 4.3Å; W172-L203 HydrophobicContact CZ2-CD2 4.29Å; V193-L203 HydrophobicContact CG1-CD1 3.65Å; V198-L203 HydrophobicContact CG1-CD1 4.45Å; V198-L203 HydrophobicContact CG1-CD2 4.46Å; V198-L203 HydrophobicContact CG1-CG 4.24Å; T200-L203 WeakPolarHBondContact O-CB 3.47Å; T200-L203 PolarHBondContact O-N 3.01Å; T200-L203 VanDerWaalsContact O-N 3.14Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 3.13Å; L203-I207 HydrophobicContact CB-CD1 4.49Å; L203-I207 VanDerWaalsContact O-CB 3.29Å; L203-I207 WeakPolarHBondContact O-CB 3.28Å; L203-I207 WeakPolarHBondContact O-CD1 3.4Å; L203-I207 WeakPolarHBondContact O-CG1 3.28Å; L203-I207 PolarHBondContact O-N 3.26Å
204E85.8Confident83.7Confident90 Ų9068.4 Ų68.442%0.42136%0.36SS..Hα-helixtrans-61.7-48.8176.7-171171.8171.400111.1T200 D201 Q206 I207 T208 M217T200-E204 PolarHBondContact O-N 3.24Å; D201-E204 PolarHBondContact O-N 3.49Å; E204-Q206 PolarHBondContact O-N 2.95Å; E204-I207 PolarHBondContact O-N 3.19Å; E204-T208 HydrophobicContact CG-CG2 4.25Å; E204-T208 VanDerWaalsContact O-CB 3.3Å; E204-T208 WeakPolarHBondContact O-CB 3.42Å; E204-T208 VanDerWaalsContact O-CG2 3.24Å; E204-T208 WeakPolarHBondContact O-CG2 3.2Å; E204-T208 PolarHBondContact O-N 3.23Å; E204-T208 PolarHBondContact O-OG1 3.12Å; E204-M217 HydrophobicContact CB-CE 4.06Å; E204-M217 HydrophobicContact CG-CE 4.41Å; E204-M217 HydrophobicContact CG-SD 4.21Å
205E87.5Confident83.7Confident137 Ų13771.3 Ų71.364%0.6437%0.374SS*.Hα-helixtrans-59.1-46.7177.7-74.4-180-178.600112.2D201 T208 A209D201-E205 WeakPolarHBondContact O-CG 3.42Å; D201-E205 PolarHBondContact O-N 3.24Å; E205-T208 PolarHBondContact O-OG1 3.22Å; E205-A209 VanDerWaalsContact O-CB 3.27Å; E205-A209 WeakPolarHBondContact O-CB 3.46Å; E205-A209 PolarHBondContact O-N 3.21Å
206Q88.2Confident84Confident72 Ų7270.3 Ų70.334%0.33637%0.371SS..Hα-helixtrans-71.2-35.2-178.3-70.4-158.1-13.500113.3I165 M202 E204 F210I165-Q206 HydrophobicContact CD1-CB 3.77Å; I165-Q206 HydrophobicContact CG1-CB 4.13Å; M202-Q206 HydrophobicContact CE-CG 4.03Å; M202-Q206 WeakPolarHBondContact O-CG 3.37Å; M202-Q206 PolarHBondContact O-N 3.46Å; M202-Q206 VanDerWaalsContact O-N 3.07Å; M202-Q206 HydrophobicContact SD-CG 4.36Å; E204-Q206 PolarHBondContact O-N 2.95Å; Q206-F210 WeakPolarHBondContact O-CD2 3.4Å; Q206-F210 VanDerWaalsContact O-CE2 3.26Å; Q206-F210 WeakPolarHBondContact O-CE2 3.48Å
207I87.7Confident84.5Confident0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-73.2-41.3177.9-66.5167.4000110.4L144 V146 V162 I165 W172 L203 E204 A209 F210 V214 M217L144-I207 HydrophobicContact CD1-CD1 3.88Å; V146-I207 HydrophobicContact CG1-CG2 4.12Å; V146-I207 HydrophobicContact CG2-CG2 4.04Å; V162-I207 HydrophobicContact CG1-CD1 4.5Å; V162-I207 HydrophobicContact CG2-CG2 4.48Å; I165-I207 HydrophobicContact CD1-CG1 3.64Å; W172-I207 HydrophobicContact CH2-CD1 4.2Å; L203-I207 HydrophobicContact CB-CD1 4.49Å; L203-I207 VanDerWaalsContact O-CB 3.29Å; L203-I207 WeakPolarHBondContact O-CB 3.28Å; L203-I207 WeakPolarHBondContact O-CD1 3.4Å; L203-I207 WeakPolarHBondContact O-CG1 3.28Å; L203-I207 PolarHBondContact O-N 3.26Å; E204-I207 PolarHBondContact O-N 3.19Å; I207-A209 VanDerWaalsContact C-N 3.31Å; I207-F210 PolarHBondContact O-N 3.09Å; I207-V214 HydrophobicContact CG2-CG1 4.33Å; I207-V214 HydrophobicContact CG2-CG2 4.39Å; I207-M217 HydrophobicContact CG2-CB 4.28Å; I207-M217 HydrophobicContact CG2-CG 4.36Å
208T84.5Confident85.1Confident54 Ų5463.8 Ų63.833%0.33134%0.341SS..Hα-helixtrans-73.3-23.117956.50000112.8E204 E205 F210 E211 M217E204-T208 HydrophobicContact CG-CG2 4.25Å; E204-T208 VanDerWaalsContact O-CB 3.3Å; E204-T208 WeakPolarHBondContact O-CB 3.42Å; E204-T208 VanDerWaalsContact O-CG2 3.24Å; E204-T208 WeakPolarHBondContact O-CG2 3.2Å; E204-T208 PolarHBondContact O-N 3.23Å; E204-T208 PolarHBondContact O-OG1 3.12Å; E205-T208 PolarHBondContact O-OG1 3.22Å; T208-F210 PolarHBondContact O-N 3.08Å; T208-E211 WeakPolarHBondContact O-CG 3.41Å; T208-E211 PolarHBondContact O-N 3.11Å; T208-M217 HydrophobicContact CG2-CB 4.25Å
209A89.1Confident85.7Confident72 Ų7267.2 Ų67.260%0.59536%0.361SS*.THydrogen-bonded Turntrans-61.6-20.517200000113.6E205 I207 E211E205-A209 VanDerWaalsContact O-CB 3.27Å; E205-A209 WeakPolarHBondContact O-CB 3.46Å; E205-A209 PolarHBondContact O-N 3.21Å; I207-A209 VanDerWaalsContact C-N 3.31Å; A209-E211 PolarHBondContact O-N 3.5Å
210F85.6Confident86.2Confident59 Ų5967.8 Ų67.826%0.25936%0.362SS..  trans-80.555170.9-61.9-70000111.5C161 I165 Q206 I207 T208 D212 Y213 V214C161-F210 HydrophobicContact CB-CD1 4.16Å; C161-F210 HydrophobicContact CB-CD2 4.31Å; C161-F210 HydrophobicContact CB-CE1 4.09Å; C161-F210 HydrophobicContact CB-CE2 4.25Å; C161-F210 HydrophobicContact CB-CG 4.27Å; C161-F210 HydrophobicContact CB-CZ 4.14Å; I165-F210 HydrophobicContact CD1-CE2 4.11Å; I165-F210 HydrophobicContact CG1-CE2 4.19Å; Q206-F210 WeakPolarHBondContact O-CD2 3.4Å; Q206-F210 VanDerWaalsContact O-CE2 3.26Å; Q206-F210 WeakPolarHBondContact O-CE2 3.48Å; I207-F210 PolarHBondContact O-N 3.09Å; T208-F210 PolarHBondContact O-N 3.08Å; F210-D212 PolarHBondContact O-N 2.98Å; F210-Y213 PolarHBondContact O-N 3.42Å; F210-V214 HydrophobicContact CB-CG2 4.2Å; F210-V214 PolarHBondContact O-N 3.03Å
211E81.1Confident86.6Confident146 Ų14667.2 Ų67.268%0.68236%0.363SS*.THydrogen-bonded Turntrans-55.6-26.7-176.1-64.7-175.9176.800113.1W149 T208 A209 Y213W149-E211 PolarHBondContact NE1-O 3.4Å; T208-E211 WeakPolarHBondContact O-CG 3.41Å; T208-E211 PolarHBondContact O-N 3.11Å; A209-E211 PolarHBondContact O-N 3.5Å; E211-Y213 VanDerWaalsContact C-N 3.27Å; E211-Y213 PolarHBondContact O-N 3.47Å
212D82.9Confident86.8Confident141 Ų14166.6 Ų66.675%0.75436%0.355SS*.THydrogen-bonded Turntrans-67.2-26.5178.2-65.5-36.3000113.3F210F210-D212 PolarHBondContact O-N 2.98Å
213Y82.2Confident87Confident72 Ų7268.1 Ų68.128%0.28237%0.365SS..THydrogen-bonded Turntrans-119.4-28.7-173.9-60.6-83.6000112.9P148 T153 K157 L158 F210 E211P148-Y213 VanDerWaalsContact CA-O 3.31Å; P148-Y213 WeakPolarHBondContact CA-O 3.4Å; T153-Y213 HydrophobicContact CG2-CD1 3.87Å; K157-Y213 HydrophobicContact CB-CE1 4.39Å; K157-Y213 HydrophobicContact CD-CE1 4.47Å; L158-Y213 WeakPolarHBondContact CD1-O 3.38Å; F210-Y213 PolarHBondContact O-N 3.42Å; E211-Y213 VanDerWaalsContact C-N 3.27Å; E211-Y213 PolarHBondContact O-N 3.47Å
214V87.3Confident87Confident6 Ų675.9 Ų75.94%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-109.6122.4-173.3-179.90000109.7V146 W149 L158 I207 F210V146-V214 HydrophobicContact CG1-CB 4.15Å; V146-V214 HydrophobicContact CG1-CG1 3.56Å; V146-V214 HydrophobicContact CG1-CG2 3.57Å; W149-V214 PolarHBondContact NE1-O 3.06Å; L158-V214 HydrophobicContact CD1-CG2 4.26Å; L158-V214 HydrophobicContact CG-CG2 4.27Å; I207-V214 HydrophobicContact CG2-CG1 4.33Å; I207-V214 HydrophobicContact CG2-CG2 4.39Å; F210-V214 HydrophobicContact CB-CG2 4.2Å; F210-V214 PolarHBondContact O-N 3.03Å
215Q87.2Confident86.6Confident99 Ų9978.3 Ų78.346%0.46341%0.413SS..EExtended strand (participates in β ladder)trans-81-47.8170.3178-174.355.800110.9K147 W149K147-Q215 PolarHBondContact O-N 3.48Å; W149-Q215 HydrophobicContact CD2-CB 3.92Å; W149-Q215 HydrophobicContact CD2-CG 4.23Å; W149-Q215 HydrophobicContact CE3-CB 4.18Å; W149-Q215 HydrophobicContact CE3-CG 3.99Å; W149-Q215 HydrophobicContact CG-CB 4.23Å; W149-Q215 HydrophobicContact CH2-CG 4.31Å; W149-Q215 HydrophobicContact CZ3-CG 4.04Å
216S87.4Confident86.6Confident39 Ų3975.4 Ų75.427%0.27340%0.401SS..EExtended strand (participates in β ladder)trans-157.2157.6-179.272.90000111.6K147K147-S216 PolarHBondContact N-O 3.48Å; K147-S216 PolarHBondContact O-N 3.44Å
217M88.3Confident86.5Confident18 Ų1875.6 Ų75.69%0.08941%0.405CS..EExtended strand (participates in β ladder)trans-115.9136.1172.1174.9-80.5-145.900108.8L144 E204 I207 T208 V219L144-M217 HydrophobicContact CD1-CE 4.33Å; L144-M217 HydrophobicContact CD2-CE 3.3Å; L144-M217 HydrophobicContact CD2-SD 4.26Å; L144-M217 HydrophobicContact CG-CE 4.36Å; E204-M217 HydrophobicContact CB-CE 4.06Å; E204-M217 HydrophobicContact CG-CE 4.41Å; E204-M217 HydrophobicContact CG-SD 4.21Å; I207-M217 HydrophobicContact CG2-CB 4.28Å; I207-M217 HydrophobicContact CG2-CG 4.36Å; T208-M217 HydrophobicContact CG2-CB 4.25Å; M217-V219 HydrophobicContact CE-CG2 4.22Å; M217-V219 HydrophobicContact SD-CG2 4.41Å
218D90.1Very high86.4Confident69 Ų6979.8 Ų79.837%0.36943%0.427SS..EExtended strand (participates in β ladder)trans-126.9139.5176.8-70.1-67.9000109.7D145 K147 A220D145-D218 HydrophobicContact CB-CB 4.19Å; D145-D218 PolarHBondContact N-O 3.37Å; D145-D218 PolarHBondContact O-N 3.4Å; K147-D218 IonicContact NZ-OD2 3.74Å; K147-D218 PolarHBondContact NZ-OD2 3.34Å; D218-A220 PolarHBondContact O-N 3.11Å
219V89.9Confident86.5Confident79 Ų7981.3 Ų81.348%0.47943%0.433SS..EExtended strand (participates in β ladder)trans-84.2107.7169.5-179.20000108.9I142 L144 M217I142-V219 HydrophobicContact CG2-CG1 4Å; L144-V219 HydrophobicContact CD2-CG2 4.12Å; M217-V219 HydrophobicContact CE-CG2 4.22Å; M217-V219 HydrophobicContact SD-CG2 4.41Å
220A88.9Confident86.4Confident50 Ų5081.9 Ų81.941%0.41342%0.423SS..EExtended strand (participates in β ladder)trans-87-30.2-178.300000113.2L143 D145 D218L143-A220 HydrophobicContact CD2-CB 3.29Å; L143-A220 PolarHBondContact O-N 3.09Å; D145-A220 HydrophobicContact CB-CB 4.24Å; D145-A220 WeakPolarHBondContact OD2-CB 3.45Å; D218-A220 PolarHBondContact O-N 3.11Å
221A89.4Confident86.4Confident37 Ų3783.4 Ų83.431%0.30643%0.434SS..EExtended strand (participates in β ladder)trans-155.2150.1168.600000111.8L143L143-A221 HydrophobicContact CB-CB 4.18Å; L143-A221 HydrophobicContact CD2-CB 4.42Å; L143-A221 PolarHBondContact N-O 2.96Å; L143-A221 PolarHBondContact O-N 3.22Å
222F88.9Confident86.8Confident95 Ų9578.9 Ų78.942%0.41742%0.416SS..EExtended strand (participates in β ladder)trans-131.7118.4176.7-177.6-87.3000109.2S140 I142 K224S140-F222 WeakPolarHBondContact OG-CZ 3.47Å; I142-F222 HydrophobicContact CD1-CD2 3.84Å; I142-F222 HydrophobicContact CD1-CE2 3.71Å; I142-F222 HydrophobicContact CG1-CD2 3.7Å; I142-F222 HydrophobicContact CG1-CE2 3.85Å; I142-F222 HydrophobicContact CG2-CD2 4.38Å; F222-K224 HydrophobicContact CE1-CD 4.42Å; F222-K224 HydrophobicContact CE1-CG 3.69Å; F222-K224 HydrophobicContact CZ-CG 4.39Å
223N88.9Confident87.1Confident94 Ų9474.2 Ų74.250%0.50339%0.39SS..EExtended strand (participates in β ladder)trans-125.4125.2180-64.3-55.8000109.8S140 S141S140-N223 CarbonylContact C-O 3.59Å; S140-N223 WeakPolarHBondContact CA-O 3.39Å; S141-N223 PolarHBondContact N-O 3.43Å; S141-N223 PolarHBondContact O-N 3.36Å
224K86.4Confident87.5Confident165 Ų16574.3 Ų74.372%0.71740%0.399SS*.EExtended strand (participates in β ladder)trans-79135.7171.5-62.4-172.3175.8-168.50109.8F222F222-K224 HydrophobicContact CE1-CD 4.42Å; F222-K224 HydrophobicContact CE1-CG 3.69Å; F222-K224 HydrophobicContact CZ-CG 4.39Å
225I77.4Confident87.5Confident141 Ų14180.5 Ų80.572%0.72343%0.432SS*.  trans-130.80-177.557.1161000112.8K139 V192K139-I225 HydrophobicContact CB-CD1 3.87Å; K139-I225 HydrophobicContact CB-CG1 3.61Å; K139-I225 PolarHBondContact N-O 2.95Å; K139-I225 WeakPolarHBondContact O-CG1 3.24Å; K139-I225 PolarHBondContact O-N 3.49Å; V192-I225 HydrophobicContact CG1-CD1 3.82Å; V192-I225 HydrophobicContact CG2-CD1 4.34Å

Retrieved 225 of 225 residues in 75.7 ms (Link to these results)

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