X5LXA5_CAEEL Loading...

Thioredoxin domain-containing protein

AlphaFold DB , UniProt , Accession X5LXA5, Species CAEEL (Caenorhabditis elegans), Gene txdc-15, Length 229 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
1M72.1Confident84Confident63 Ų6350.6 Ų50.631%0.3128%0.282SS..  0150.30-159.9146.683.200110.1F6 L9 V54 Y133M1-F6 VanDerWaalsContact CE-CA 3.46Å; M1-F6 HydrophobicContact CE-CB 3.74Å; M1-F6 HydrophobicContact CE-CD2 3.57Å; M1-F6 HydrophobicContact CE-CG 4.15Å; M1-L9 HydrophobicContact CE-CB 4.32Å; M1-L9 HydrophobicContact CE-CD2 3.53Å; M1-V54 HydrophobicContact CE-CG1 4.04Å; M1-Y133 HydrophobicContact SD-CD2 4.13Å
2N79.3Confident83.8Confident58 Ų5849.2 Ų49.231%0.3127%0.273SS..  trans-87.8170.9174.469.331.9000111.5S4 S5 F6 K63N2-S4 PolarHBondContact O-N 2.66Å; N2-S4 PolarHBondContact OD1-N 3.47Å; N2-S4 VanDerWaalsContact OD1-N 3.17Å; N2-S4 PolarHBondContact OD1-OG 3.5Å; N2-S5 PolarHBondContact ND2-OG 2.94Å; N2-S5 WeakPolarHBondContact OD1-CB 3.21Å; N2-S5 PolarHBondContact OD1-N 3.32Å; N2-S5 PolarHBondContact OD1-OG 3.24Å; N2-F6 PolarHBondContact O-N 3.1Å; N2-K63 HydrophobicContact CB-CB 4.37Å
3S83.7Confident83.2Confident24 Ų2461.5 Ų61.517%0.16831%0.313CS..Hα-helixtrans-62.4-37.9179.9-64.60000114.6L7 K63S3-L7 PolarHBondContact O-N 2.86Å; S3-L7 VanDerWaalsContact O-N 3.14Å; S3-K63 WeakPolarHBondContact CB-O 3.24Å; S3-K63 PolarHBondContact N-O 3.15Å; S3-K63 PolarHBondContact OG-O 3.45Å
4S85.4Confident82.4Confident80 Ų8059.5 Ų59.556%0.55930%0.303SS*.Hα-helixtrans-72.9-46.1-175.743.50000112.3N2 F6 L7 E8N2-S4 PolarHBondContact O-N 2.66Å; N2-S4 PolarHBondContact OD1-N 3.47Å; N2-S4 VanDerWaalsContact OD1-N 3.17Å; N2-S4 PolarHBondContact OD1-OG 3.5Å; S4-F6 VanDerWaalsContact C-N 3.29Å; S4-F6 PolarHBondContact O-N 3.47Å; S4-L7 WeakPolarHBondContact O-CB 3.39Å; S4-L7 PolarHBondContact O-N 2.98Å; S4-L7 VanDerWaalsContact O-N 3.1Å; S4-E8 PolarHBondContact O-N 3.43Å
5S84.7Confident81.5Confident30 Ų3062.5 Ų62.521%0.2133%0.326CS..Hα-helixtrans-64.3-35.2176.9-57.10000111.2N2 E8 L9N2-S5 PolarHBondContact ND2-OG 2.94Å; N2-S5 WeakPolarHBondContact OD1-CB 3.21Å; N2-S5 PolarHBondContact OD1-N 3.32Å; N2-S5 PolarHBondContact OD1-OG 3.24Å; S5-E8 PolarHBondContact O-N 3.4Å; S5-L9 WeakPolarHBondContact O-CB 3.42Å; S5-L9 PolarHBondContact O-N 2.83Å
6F87.4Confident80.9Confident0 Ų070.1 Ų70.10%035%0.351CS..Hα-helixtrans-64.8-41.3171.4-175.4-101.4000112.5M1 N2 S4 E8 L9 T10 M22 V24 I56 L67 Y71 W82M1-F6 VanDerWaalsContact CE-CA 3.46Å; M1-F6 HydrophobicContact CE-CB 3.74Å; M1-F6 HydrophobicContact CE-CD2 3.57Å; M1-F6 HydrophobicContact CE-CG 4.15Å; N2-F6 PolarHBondContact O-N 3.1Å; S4-F6 VanDerWaalsContact C-N 3.29Å; S4-F6 PolarHBondContact O-N 3.47Å; F6-E8 VanDerWaalsContact C-N 3.34Å; F6-L9 HydrophobicContact CD2-CD2 4.45Å; F6-L9 WeakPolarHBondContact O-CB 3.38Å; F6-L9 PolarHBondContact O-N 3.16Å; F6-T10 HydrophobicContact CD1-CG2 4.07Å; F6-T10 HydrophobicContact CE1-CG2 3.59Å; F6-T10 HydrophobicContact CE2-CG2 4.32Å; F6-T10 HydrophobicContact CZ-CG2 3.75Å; F6-T10 WeakPolarHBondContact O-CG2 3.15Å; F6-T10 PolarHBondContact O-N 3.36Å; F6-T10 PolarHBondContact O-OG1 3.35Å; F6-M22 HydrophobicContact CE2-SD 3.95Å; F6-M22 HydrophobicContact CZ-SD 4.35Å; F6-V24 HydrophobicContact CE2-CG1 4.13Å; F6-V24 HydrophobicContact CE2-CG2 3.74Å; F6-V24 HydrophobicContact CZ-CG2 4.02Å; F6-I56 HydrophobicContact CD2-CD1 3.4Å; F6-I56 HydrophobicContact CD2-CG1 4.47Å; F6-I56 HydrophobicContact CE2-CD1 3.62Å; F6-I56 HydrophobicContact CG-CD1 3.88Å; F6-I56 HydrophobicContact CZ-CD1 4.25Å; F6-L67 HydrophobicContact CB-CD1 3.83Å; F6-L67 HydrophobicContact CB-CD2 4.29Å; F6-L67 HydrophobicContact CD1-CD1 4.04Å; F6-L67 HydrophobicContact CD1-CD2 3.46Å; F6-L67 VanDerWaalsContact CD1-CD2 3.46Å; F6-L67 HydrophobicContact CD1-CG 4.39Å; F6-L67 HydrophobicContact CE1-CD2 4.2Å; F6-L67 HydrophobicContact CG-CD1 4.03Å; F6-L67 HydrophobicContact CG-CD2 4.22Å; F6-Y71 HydrophobicContact CD1-CE2 4.3Å; F6-Y71 AromaticContact CE1-CE2 3.64Å; F6-Y71 HydrophobicContact CE1-CE2 3.64Å; F6-Y71 AromaticContact CE1-CZ 3.98Å; F6-W82 HydrophobicContact CE1-CZ2 4.38Å; F6-W82 AromaticContact CZ-CE2 3.9Å; F6-W82 HydrophobicContact CZ-CH2 4.45Å; F6-W82 AromaticContact CZ-CZ2 3.84Å; F6-W82 HydrophobicContact CZ-CZ2 3.84Å
7L87.3Confident80.5Confident67 Ų6769.8 Ų69.835%0.35137%0.369SS..Hα-helixtrans-66.1-39.6178-172.563.9000111.6S3 S4 T10 N11S3-L7 PolarHBondContact O-N 2.86Å; S3-L7 VanDerWaalsContact O-N 3.14Å; S4-L7 WeakPolarHBondContact O-CB 3.39Å; S4-L7 PolarHBondContact O-N 2.98Å; S4-L7 VanDerWaalsContact O-N 3.1Å; L7-T10 WeakPolarHBondContact CA-OG1 3.32Å; L7-T10 PolarHBondContact O-N 2.66Å; L7-T10 PolarHBondContact O-OG1 3.3Å; L7-N11 PolarHBondContact O-N 3.3Å; L7-N11 PolarHBondContact O-ND2 2.83Å; L7-N11 VanDerWaalsContact O-ND2 3.16Å
8E86.4Confident80.4Confident107 Ų10772.6 Ų72.650%0.537%0.373SS..Hα-helixtrans-59.5-47172.8-173.2172.3-171.800111.2S4 S5 F6 T10 N11 L12S4-E8 PolarHBondContact O-N 3.43Å; S5-E8 PolarHBondContact O-N 3.4Å; F6-E8 VanDerWaalsContact C-N 3.34Å; E8-T10 VanDerWaalsContact C-N 3.35Å; E8-T10 PolarHBondContact O-N 2.81Å; E8-N11 PolarHBondContact O-N 2.73Å; E8-L12 PolarHBondContact O-N 3.34Å
9L85.5Confident80.4Confident4 Ų475.2 Ų75.22%0.02139%0.388CS..Hα-helixtrans-55.9-46.5174.3179.463.9000111.9M1 S5 F6 N11 L12 W20 M22 L52 V54 L128M1-L9 HydrophobicContact CE-CB 4.32Å; M1-L9 HydrophobicContact CE-CD2 3.53Å; S5-L9 WeakPolarHBondContact O-CB 3.42Å; S5-L9 PolarHBondContact O-N 2.83Å; F6-L9 HydrophobicContact CD2-CD2 4.45Å; F6-L9 WeakPolarHBondContact O-CB 3.38Å; F6-L9 PolarHBondContact O-N 3.16Å; L9-N11 PolarHBondContact O-N 2.68Å; L9-L12 HydrophobicContact CD1-CD1 4.01Å; L9-L12 WeakPolarHBondContact O-CB 3.32Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-W20 HydrophobicContact CD1-CH2 4.16Å; L9-W20 HydrophobicContact CG-CH2 4.14Å; L9-W20 WeakPolarHBondContact O-CH2 3.45Å; L9-W20 VanDerWaalsContact O-CZ2 3.26Å; L9-W20 WeakPolarHBondContact O-CZ2 3.4Å; L9-M22 HydrophobicContact CD2-SD 4.2Å; L9-L52 HydrophobicContact CD1-CD2 4.08Å; L9-L52 HydrophobicContact CD2-CD2 4.4Å; L9-V54 HydrophobicContact CD2-CG1 4.37Å; L9-V54 HydrophobicContact CD2-CG2 4.01Å; L9-L128 HydrophobicContact CD1-CD1 3.6Å; L9-L128 HydrophobicContact CD1-CG 4.24Å
10T86.9Confident80.6Confident11 Ų1173.8 Ų73.87%0.06738%0.378CS..Hα-helixtrans-65.6-26.1177.756.20000113.4F6 L7 E8 L12 M22 G85F6-T10 HydrophobicContact CD1-CG2 4.07Å; F6-T10 HydrophobicContact CE1-CG2 3.59Å; F6-T10 HydrophobicContact CE2-CG2 4.32Å; F6-T10 HydrophobicContact CZ-CG2 3.75Å; F6-T10 WeakPolarHBondContact O-CG2 3.15Å; F6-T10 PolarHBondContact O-N 3.36Å; F6-T10 PolarHBondContact O-OG1 3.35Å; L7-T10 WeakPolarHBondContact CA-OG1 3.32Å; L7-T10 PolarHBondContact O-N 2.66Å; L7-T10 PolarHBondContact O-OG1 3.3Å; E8-T10 VanDerWaalsContact C-N 3.35Å; E8-T10 PolarHBondContact O-N 2.81Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-M22 HydrophobicContact CG2-CE 3.84Å; T10-G85 WeakPolarHBondContact O-CA 3.46Å
11N85.8Confident81Confident113 Ų11370.9 Ų70.960%0.60436%0.364SS*.Hα-helixtrans-85.9-6.7178.5-73-35.4000113.1L7 E8 L9 R13L7-N11 PolarHBondContact O-N 3.3Å; L7-N11 PolarHBondContact O-ND2 2.83Å; L7-N11 VanDerWaalsContact O-ND2 3.16Å; E8-N11 PolarHBondContact O-N 2.73Å; L9-N11 PolarHBondContact O-N 2.68Å; N11-R13 PolarHBondContact O-N 3.08Å
12L81.3Confident81.9Confident33 Ų3367.9 Ų67.917%0.17335%0.349CS..  trans-63.7131176.8-69.2-178.1000110.6E8 L9 T10 W20 K127 L128 V131E8-L12 PolarHBondContact O-N 3.34Å; L9-L12 HydrophobicContact CD1-CD1 4.01Å; L9-L12 WeakPolarHBondContact O-CB 3.32Å; L9-L12 PolarHBondContact O-N 3.41Å; T10-L12 VanDerWaalsContact C-N 3.33Å; L12-W20 PolarHBondContact O-NE1 2.71Å; L12-W20 VanDerWaalsContact O-NE1 3.08Å; L12-K127 HydrophobicContact CD2-CD 4.46Å; L12-L128 HydrophobicContact CD1-CD1 4.36Å; L12-V131 HydrophobicContact CD1-CG2 4.21Å
13R75.7Confident82.5Confident210 Ų21065.1 Ų65.179%0.79233%0.334SS*.  trans-111.1139.7169.7-60-170.7-177.9-174.20.1109.3N11 K127N11-R13 PolarHBondContact O-N 3.08Å; R13-K127 PolarHBondContact O-NZ 3.12Å
14D72.2Confident83Confident33 Ų3364 Ų6418%0.17633%0.326CS..  trans-62.5141170.3-171.618.8000109.3Y16 G17 R18D14-Y16 PolarHBondContact O-N 3.01Å; D14-G17 PolarHBondContact O-N 3.12Å; D14-G17 VanDerWaalsContact O-N 3.16Å; D14-R18 VanDerWaalsContact OD2-CB 3.31Å; D14-R18 WeakPolarHBondContact OD2-CB 3.35Å; D14-R18 IonicContact OD2-CZ 3.56Å; D14-R18 IonicContact OD2-NE 3.69Å; D14-R18 PolarHBondContact OD2-NE 3.46Å; D14-R18 IonicContact OD2-NH2 2.66Å; D14-R18 PolarHBondContact OD2-NH2 3.13Å
15T68.5Low83.4Confident105 Ų10560.1 Ų60.164%0.64430%0.3SS*.THydrogen-bonded Turntrans-65.2-26.5178.247.20000111.9
16Y72.4Confident83.8Confident184 Ų18458.7 Ų58.772%0.72229%0.29SS*.THydrogen-bonded Turntrans-94.14.3178.4-57.5-76.7000113.3D14 R18D14-Y16 PolarHBondContact O-N 3.01Å; Y16-R18 PolarHBondContact O-N 3.17Å
17G73.9Confident84Confident64 Ų6460 Ų6066%0.6630%0.295SS*.  trans66.319.5-179.500000114.3D14D14-G17 PolarHBondContact O-N 3.12Å; D14-G17 VanDerWaalsContact O-N 3.16Å
18R78.6Confident84.1Confident120 Ų12057.2 Ų57.245%0.45328%0.282SS..  trans-77.7150.3175.5-59.2-179.1-67172.30.6110.7D14 Y16D14-R18 VanDerWaalsContact OD2-CB 3.31Å; D14-R18 WeakPolarHBondContact OD2-CB 3.35Å; D14-R18 IonicContact OD2-CZ 3.56Å; D14-R18 IonicContact OD2-NE 3.69Å; D14-R18 PolarHBondContact OD2-NE 3.46Å; D14-R18 IonicContact OD2-NH2 2.66Å; D14-R18 PolarHBondContact OD2-NH2 3.13Å; Y16-R18 PolarHBondContact O-N 3.17Å
19D81.3Confident84.1Confident122 Ų12254.4 Ų54.465%0.65227%0.273SS*.  trans-70.3139.4174.5-62-26.2000110.2N84D19-N84 WeakPolarHBondContact CA-OD1 3.36Å; D19-N84 WeakPolarHBondContact CB-OD1 3.44Å; D19-N84 VanDerWaalsContact CG-ND2 3.28Å; D19-N84 PolarHBondContact OD1-ND2 3.44Å; D19-N84 PolarHBondContact OD1-OD1 3.23Å
20W82.9Confident84Confident47 Ų4758.8 Ų58.818%0.17830%0.304CS..  trans-125.8138.2176.673.2-77.6000110.3L9 L12 M22 L52 N84L9-W20 HydrophobicContact CD1-CH2 4.16Å; L9-W20 HydrophobicContact CG-CH2 4.14Å; L9-W20 WeakPolarHBondContact O-CH2 3.45Å; L9-W20 VanDerWaalsContact O-CZ2 3.26Å; L9-W20 WeakPolarHBondContact O-CZ2 3.4Å; L12-W20 PolarHBondContact O-NE1 2.71Å; L12-W20 VanDerWaalsContact O-NE1 3.08Å; W20-M22 HydrophobicContact CE3-CB 4.01Å; W20-M22 HydrophobicContact CH2-CB 4.27Å; W20-M22 HydrophobicContact CH2-CE 3.19Å; W20-M22 HydrophobicContact CH2-SD 4.02Å; W20-M22 HydrophobicContact CZ2-CE 3.88Å; W20-M22 HydrophobicContact CZ3-CB 3.51Å; W20-M22 HydrophobicContact CZ3-CE 3.68Å; W20-M22 HydrophobicContact CZ3-CG 4.39Å; W20-M22 HydrophobicContact CZ3-SD 4.11Å; W20-L52 HydrophobicContact CZ3-CD2 4.07Å; W20-N84 PolarHBondContact N-OD1 3.06Å; W20-N84 PolarHBondContact O-N 3.44Å
21C89.3Confident84.1Confident13 Ų1359.1 Ų59.19%0.08831%0.307CS..EExtended strand (participates in β ladder)trans-107.2140.7179.7-66.10000109.8I51 L52 W82 L111C21-I51 HydrophobicContact CB-CG1 4.02Å; C21-I51 WeakPolarHBondContact O-CA 3.46Å; C21-L52 PolarHBondContact O-N 3.49Å; C21-W82 WeakPolarHBondContact CA-O 3.33Å; C21-L111 HydrophobicContact CB-CD1 3.94Å
22M90.8Very high84.1Confident0 Ų056.7 Ų56.70%030%0.297CS..EExtended strand (participates in β ladder)trans-133.2132.5177131.6177.660.500108.4F6 L9 T10 W20 V24 L52 V54 W82F6-M22 HydrophobicContact CE2-SD 3.95Å; F6-M22 HydrophobicContact CZ-SD 4.35Å; L9-M22 HydrophobicContact CD2-SD 4.2Å; T10-M22 HydrophobicContact CG2-CE 3.84Å; W20-M22 HydrophobicContact CE3-CB 4.01Å; W20-M22 HydrophobicContact CH2-CB 4.27Å; W20-M22 HydrophobicContact CH2-CE 3.19Å; W20-M22 HydrophobicContact CH2-SD 4.02Å; W20-M22 HydrophobicContact CZ2-CE 3.88Å; W20-M22 HydrophobicContact CZ3-CB 3.51Å; W20-M22 HydrophobicContact CZ3-CE 3.68Å; W20-M22 HydrophobicContact CZ3-CG 4.39Å; W20-M22 HydrophobicContact CZ3-SD 4.11Å; M22-V24 HydrophobicContact CG-CG2 3.4Å; M22-V24 VanDerWaalsContact CG-CG2 3.4Å; M22-V24 HydrophobicContact SD-CG2 3.6Å; M22-V24 VanDerWaalsContact SD-CG2 3.6Å; M22-L52 CarbonylContact C-O 3.53Å; M22-L52 VanDerWaalsContact CA-O 3.26Å; M22-L52 WeakPolarHBondContact CA-O 3.44Å; M22-L52 HydrophobicContact CB-CB 4.37Å; M22-V54 HydrophobicContact CG-CG2 4.36Å; M22-V54 HydrophobicContact SD-CG2 4.28Å; M22-W82 HydrophobicContact CB-CB 4.19Å; M22-W82 HydrophobicContact CE-CB 3.57Å; M22-W82 HydrophobicContact CE-CD2 4.44Å; M22-W82 HydrophobicContact CE-CG 3.69Å; M22-W82 HydrophobicContact CG-CB 3.86Å; M22-W82 HydrophobicContact CG-CD2 4.34Å; M22-W82 HydrophobicContact CG-CE3 4.2Å; M22-W82 HydrophobicContact CG-CG 4.21Å; M22-W82 PolarHBondContact N-O 3.35Å; M22-W82 PolarHBondContact O-N 2.92Å; M22-W82 HydrophobicContact SD-CB 4.37Å; M22-W82 HydrophobicContact SD-CG 4.34Å
23I93.1Very high84.5Confident0 Ų060.2 Ų60.20%031%0.311CS..EExtended strand (participates in β ladder)trans-108.9121.8171.2-168.3169.5000108.2F41 I44 I51 L52 P53 V54 I79 I101 I105I23-F41 HydrophobicContact CD1-CE2 4.47Å; I23-F41 HydrophobicContact CG1-CE2 4.15Å; I23-F41 HydrophobicContact CG2-CE2 4.05Å; I23-F41 HydrophobicContact CG2-CZ 4.2Å; I23-I44 HydrophobicContact CG2-CG2 4.15Å; I23-I51 HydrophobicContact CB-CD1 3.89Å; I23-I51 HydrophobicContact CB-CG1 4.38Å; I23-I51 HydrophobicContact CG2-CD1 3.94Å; I23-I51 HydrophobicContact CG2-CG1 4.21Å; I23-L52 PolarHBondContact N-O 3.05Å; I23-P53 HydrophobicContact CG2-CB 3.96Å; I23-P53 CarbonylContact O-C 3.51Å; I23-P53 WeakPolarHBondContact O-CA 3.39Å; I23-V54 PolarHBondContact O-N 3.47Å; I23-I79 HydrophobicContact CD1-CG2 3.84Å; I23-I79 HydrophobicContact CG1-CG2 3.74Å; I23-I101 HydrophobicContact CD1-CG2 3.4Å; I23-I101 VanDerWaalsContact CD1-CG2 3.4Å; I23-I105 HydrophobicContact CD1-CD1 4.07Å; I23-I105 HydrophobicContact CD1-CG1 4.13Å
24V93.4Very high85.2Confident0 Ų050.2 Ų50.20%027%0.273CS..EExtended strand (participates in β ladder)trans-113.3127.5-177-167.50000109.6F6 M22 F26 V54 I56 I79 L80 W82F6-V24 HydrophobicContact CE2-CG1 4.13Å; F6-V24 HydrophobicContact CE2-CG2 3.74Å; F6-V24 HydrophobicContact CZ-CG2 4.02Å; M22-V24 HydrophobicContact CG-CG2 3.4Å; M22-V24 VanDerWaalsContact CG-CG2 3.4Å; M22-V24 HydrophobicContact SD-CG2 3.6Å; M22-V24 VanDerWaalsContact SD-CG2 3.6Å; V24-F26 HydrophobicContact CG1-CE2 4.37Å; V24-V54 CarbonylContact C-O 3.52Å; V24-V54 WeakPolarHBondContact CA-O 3.34Å; V24-V54 HydrophobicContact CB-CB 4.47Å; V24-V54 HydrophobicContact CG1-CB 4.22Å; V24-V54 HydrophobicContact CG1-CG1 4.26Å; V24-V54 WeakPolarHBondContact CG1-O 3.16Å; V24-V54 HydrophobicContact CG2-CB 4.13Å; V24-I56 HydrophobicContact CG1-CD1 3.42Å; V24-I56 VanDerWaalsContact CG1-CD1 3.42Å; V24-I56 HydrophobicContact CG1-CG1 3.67Å; V24-I79 WeakPolarHBondContact O-CA 2.99Å; V24-L80 PolarHBondContact N-O 2.77Å; V24-L80 PolarHBondContact O-N 3.45Å; V24-W82 HydrophobicContact CB-CE3 3.87Å; V24-W82 HydrophobicContact CB-CH2 3.6Å; V24-W82 HydrophobicContact CB-CZ3 3.18Å; V24-W82 HydrophobicContact CG1-CH2 4.36Å; V24-W82 HydrophobicContact CG1-CZ3 4.35Å; V24-W82 HydrophobicContact CG2-CD2 3.94Å; V24-W82 HydrophobicContact CG2-CE3 3.3Å; V24-W82 HydrophobicContact CG2-CH2 3.69Å; V24-W82 HydrophobicContact CG2-CZ2 4.29Å; V24-W82 HydrophobicContact CG2-CZ3 3.16Å
25M93.2Very high86Confident0 Ų049.2 Ų49.20%027%0.27CS..EExtended strand (participates in β ladder)trans-104114.9170.1-178.7174.766.400109.8H27 L37 F41 V54 A55 I56 I79 V138M25-H27 HydrophobicContact CE-CB 4.07Å; M25-H27 HydrophobicContact CG-CB 4.24Å; M25-H27 PolarHBondContact O-N 3.32Å; M25-H27 HydrophobicContact SD-CB 4.49Å; M25-L37 HydrophobicContact CG-CD2 4.47Å; M25-L37 HydrophobicContact SD-CD2 3.63Å; M25-L37 HydrophobicContact SD-CG 4.09Å; M25-F41 HydrophobicContact CB-CD1 4.26Å; M25-F41 HydrophobicContact CB-CD2 3.8Å; M25-F41 HydrophobicContact CB-CE1 4Å; M25-F41 HydrophobicContact CB-CE2 3.53Å; M25-F41 HydrophobicContact CB-CG 4.15Å; M25-F41 HydrophobicContact CB-CZ 3.63Å; M25-F41 HydrophobicContact CE-CB 3.95Å; M25-F41 HydrophobicContact CE-CD1 3.72Å; M25-F41 HydrophobicContact CE-CD2 4.5Å; M25-F41 HydrophobicContact CE-CE1 4.36Å; M25-F41 HydrophobicContact CE-CG 3.79Å; M25-F41 HydrophobicContact CG-CD2 4.49Å; M25-F41 HydrophobicContact SD-CB 3.95Å; M25-F41 HydrophobicContact SD-CD1 4.38Å; M25-F41 HydrophobicContact SD-CD2 4.11Å; M25-F41 HydrophobicContact SD-CG 3.88Å; M25-V54 PolarHBondContact N-O 3.34Å; M25-A55 WeakPolarHBondContact O-CA 3.47Å; M25-I56 PolarHBondContact O-N 3.17Å; M25-I79 HydrophobicContact CG-CG1 4.48Å; M25-V138 HydrophobicContact CE-CB 4.14Å; M25-V138 HydrophobicContact CE-CG1 3.64Å; M25-V138 HydrophobicContact CE-CG2 3.94Å
26F93.7Very high87Confident0 Ų050.9 Ų50.90%026%0.264CS..EExtended strand (participates in β ladder)trans-80.2107.6163.7-70.6-88.2000108.6V24 I56 A58 L67 Y71 V73 P77 T78 L80 W82V24-F26 HydrophobicContact CG1-CE2 4.37Å; F26-I56 CarbonylContact C-O 3.56Å; F26-I56 WeakPolarHBondContact CA-O 3.31Å; F26-I56 HydrophobicContact CD1-CB 4.03Å; F26-I56 HydrophobicContact CD1-CG2 4.02Å; F26-I56 HydrophobicContact CE1-CB 4.19Å; F26-I56 HydrophobicContact CE1-CD1 3.98Å; F26-I56 HydrophobicContact CE1-CG2 4Å; F26-I56 HydrophobicContact CZ-CD1 4.12Å; F26-A58 HydrophobicContact CB-CB 4.2Å; F26-A58 HydrophobicContact CD1-CB 4.27Å; F26-L67 HydrophobicContact CE1-CB 4.15Å; F26-Y71 HydrophobicContact CZ-CD2 4.18Å; F26-V73 HydrophobicContact CB-CG1 3.78Å; F26-V73 HydrophobicContact CB-CG2 4.29Å; F26-V73 HydrophobicContact CD1-CG1 4.28Å; F26-V73 HydrophobicContact CD1-CG2 3.85Å; F26-V73 HydrophobicContact CD2-CG2 3.61Å; F26-V73 HydrophobicContact CE1-CG2 4Å; F26-V73 HydrophobicContact CE2-CG2 3.74Å; F26-V73 HydrophobicContact CG-CB 4.46Å; F26-V73 HydrophobicContact CG-CG1 4.01Å; F26-V73 HydrophobicContact CG-CG2 3.65Å; F26-V73 HydrophobicContact CZ-CG2 3.95Å; F26-P77 WeakPolarHBondContact O-CA 3.31Å; F26-T78 PolarHBondContact N-O 3.02Å; F26-T78 PolarHBondContact O-N 3.15Å; F26-L80 HydrophobicContact CD2-CD1 3.81Å; F26-L80 HydrophobicContact CE2-CD1 3.91Å; F26-W82 AromaticContact CE2-CH2 3.95Å; F26-W82 HydrophobicContact CE2-CH2 3.95Å
27H91.7Very high87.9Confident26 Ų2642.1 Ų42.112%0.1223%0.23CC..EExtended strand (participates in β ladder)trans-117.2169.9-177.677.697.8000111.2M25 I56 D57 A58M25-H27 HydrophobicContact CE-CB 4.07Å; M25-H27 HydrophobicContact CG-CB 4.24Å; M25-H27 PolarHBondContact O-N 3.32Å; M25-H27 HydrophobicContact SD-CB 4.49Å; H27-I56 VanDerWaalsContact CD2-C 3.5Å; H27-I56 PolarHBondContact CD2-O 3.42Å; H27-I56 VanDerWaalsContact CD2-O 3.23Å; H27-I56 PolarHBondContact N-O 3.39Å; H27-D57 WeakPolarHBondContact O-CA 3.46Å; H27-A58 PolarHBondContact O-N 2.96Å
28S90.6Very high88.7Confident9 Ų939.2 Ų39.26%0.06320%0.2CC..  trans-135.7137.2168.8167.30000109.2S30 C31 S34 S59S28-S30 VanDerWaalsContact C-N 3.27Å; S28-S30 PolarHBondContact O-N 3.28Å; S28-S30 PolarHBondContact OG-N 3.3Å; S28-S30 PolarHBondContact OG-OG 3.33Å; S28-C31 PolarHBondContact O-N 3.16Å; S28-S34 PolarHBondContact N-OG 3.17Å; S28-S34 WeakPolarHBondContact O-CB 3.35Å; S28-S59 WeakPolarHBondContact OG-CB 3.4Å
29P85.8Confident89.2Confident49 Ų4937 Ų3732%0.31820%0.201SC..THydrogen-bonded Turntrans-63.5-31.9178.825-33.2000112.6C31 D57 S59 E141P29-C31 VanDerWaalsContact C-N 3.32Å; P29-C31 PolarHBondContact O-N 3.43Å; P29-D57 WeakPolarHBondContact CD-OD1 3.3Å; P29-S59 WeakPolarHBondContact CD-OG 3.26Å; P29-E141 VanDerWaalsContact O-O 3.06Å
30S83.8Confident89.7Confident96 Ų9635.8 Ų35.867%0.67119%0.188SC*.THydrogen-bonded Turntrans-85.20.1-179.756.50000114.4S28S28-S30 VanDerWaalsContact C-N 3.27Å; S28-S30 PolarHBondContact O-N 3.28Å; S28-S30 PolarHBondContact OG-N 3.3Å; S28-S30 PolarHBondContact OG-OG 3.33Å
31C87.4Confident90.1Very high18 Ų1833.7 Ų33.712%0.12218%0.18CC..  trans-98.2117.2-173.8179.90000111.9S28 P29 F33 S34 A35 T76S28-C31 PolarHBondContact O-N 3.16Å; P29-C31 VanDerWaalsContact C-N 3.32Å; P29-C31 PolarHBondContact O-N 3.43Å; C31-F33 PolarHBondContact O-N 3.49Å; C31-S34 WeakPolarHBondContact O-CB 3.32Å; C31-S34 PolarHBondContact O-N 3.18Å; C31-S34 VanDerWaalsContact O-N 3.11Å; C31-A35 PolarHBondContact O-N 2.98Å; C31-A35 VanDerWaalsContact O-N 3.15Å; C31-T76 WeakPolarHBondContact CB-OG1 3.39Å; C31-T76 PolarHBondContact SG-O 3.18Å; C31-T76 PolarHBondContact SG-OG1 3.25Å
32P86.6Confident90.2Very high62 Ų6235.3 Ų35.340%0.40319%0.188SC..Hα-helixtrans-68.4-20.8-178.728.1-35.8000113.4R36P32-R36 WeakPolarHBondContact O-CG 3.42Å; P32-R36 PolarHBondContact O-N 3.27Å; P32-R36 PolarHBondContact O-NE 3.19Å
33F89.6Confident90Very high106 Ų10639.8 Ų39.847%0.46521%0.209SC..Hα-helixtrans-74.8-39.5173.4-60.9-77.7000111.4C31 A35 R36 L37 P77 L96C31-F33 PolarHBondContact O-N 3.49Å; F33-A35 VanDerWaalsContact C-N 3.27Å; F33-A35 PolarHBondContact O-N 3.29Å; F33-R36 PolarHBondContact O-N 2.95Å; F33-L37 PolarHBondContact O-N 2.87Å; F33-P77 HydrophobicContact CB-CG 4.44Å; F33-L96 HydrophobicContact CB-CD1 3.77Å; F33-L96 HydrophobicContact CD1-CD1 4.1Å; F33-L96 HydrophobicContact CG-CD1 4.41Å
34S91.1Very high89.8Confident0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-62.6-39.6175.4-660000110.7S28 C31 L37 A38S28-S34 PolarHBondContact N-OG 3.17Å; S28-S34 WeakPolarHBondContact O-CB 3.35Å; C31-S34 WeakPolarHBondContact O-CB 3.32Å; C31-S34 PolarHBondContact O-N 3.18Å; C31-S34 VanDerWaalsContact O-N 3.11Å; S34-L37 PolarHBondContact O-N 3.49Å; S34-A38 PolarHBondContact O-N 3.15Å
35A88.8Confident89.2Confident13 Ų1342 Ų4211%0.10723%0.226CC..Hα-helixtrans-70.6-31.6179.300000116C31 F33 L37 P39 T140 I142C31-A35 PolarHBondContact O-N 2.98Å; C31-A35 VanDerWaalsContact O-N 3.15Å; F33-A35 VanDerWaalsContact C-N 3.27Å; F33-A35 PolarHBondContact O-N 3.29Å; A35-L37 VanDerWaalsContact C-N 3.29Å; A35-P39 VanDerWaalsContact O-CD 3.31Å; A35-P39 WeakPolarHBondContact O-CD 3.45Å; A35-T140 WeakPolarHBondContact CA-OG1 3.3Å; A35-T140 WeakPolarHBondContact CB-OG1 3.44Å; A35-I142 HydrophobicContact CB-CD1 3.53Å; A35-I142 HydrophobicContact CB-CG1 3.16Å
36R88.9Confident88.6Confident140 Ų14044.9 Ų44.953%0.52826%0.256SS..Hα-helixtrans-67.8-31.6171.2-77-178.6-80.8177.4-8.9112.6P32 F33 Y40P32-R36 WeakPolarHBondContact O-CG 3.42Å; P32-R36 PolarHBondContact O-N 3.27Å; P32-R36 PolarHBondContact O-NE 3.19Å; F33-R36 PolarHBondContact O-N 2.95Å; R36-Y40 WeakPolarHBondContact O-CD2 3.39Å; R36-Y40 WeakPolarHBondContact O-CE2 3.1Å
37L91.5Very high88.3Confident0 Ų045.3 Ų45.30%026%0.26CS..Hα-helixtrans-83.6-30.5-179.1-174.368.7000113.1M25 F33 S34 A35 P39 Y40 F41 P77 I79 L96 I101M25-L37 HydrophobicContact CG-CD2 4.47Å; M25-L37 HydrophobicContact SD-CD2 3.63Å; M25-L37 HydrophobicContact SD-CG 4.09Å; F33-L37 PolarHBondContact O-N 2.87Å; S34-L37 PolarHBondContact O-N 3.49Å; A35-L37 VanDerWaalsContact C-N 3.29Å; L37-P39 VanDerWaalsContact C-CD 3.49Å; L37-Y40 PolarHBondContact O-N 2.85Å; L37-Y40 VanDerWaalsContact O-N 3.08Å; L37-F41 PolarHBondContact O-N 2.93Å; L37-P77 HydrophobicContact CB-CG 4.37Å; L37-P77 HydrophobicContact CD2-CB 3.61Å; L37-P77 HydrophobicContact CD2-CG 3.71Å; L37-I79 HydrophobicContact CD1-CD1 4.33Å; L37-I79 HydrophobicContact CD2-CD1 3.57Å; L37-I79 HydrophobicContact CD2-CG1 3.94Å; L37-I79 HydrophobicContact CG-CD1 4.41Å; L37-L96 HydrophobicContact CD1-CB 4.08Å; L37-L96 HydrophobicContact CD1-CD2 4.5Å; L37-L96 HydrophobicContact CD2-CD2 4.3Å; L37-I101 HydrophobicContact CD1-CD1 3.88Å
38A90.7Very high88Confident3 Ų344.7 Ų44.73%0.02526%0.256CS..Hα-helixtrans-46.5-48.6-178.100000115.5S34 Y40 F41 N42 V138S34-A38 PolarHBondContact O-N 3.15Å; A38-Y40 VanDerWaalsContact C-N 3.35Å; A38-Y40 PolarHBondContact O-N 3.34Å; A38-F41 PolarHBondContact O-N 3.01Å; A38-N42 VanDerWaalsContact O-CG 3.26Å; A38-N42 PolarHBondContact O-N 2.76Å; A38-N42 PolarHBondContact O-ND2 3.47Å; A38-V138 HydrophobicContact CB-CB 4.25Å; A38-V138 HydrophobicContact CB-CG1 3.99Å; A38-V138 WeakPolarHBondContact CB-O 3.11Å
39P90.1Very high87.4Confident74 Ų7446.8 Ų46.848%0.48127%0.269SS..Hα-helixtrans-62-40.8178.823.6-34.4000112.7A35 L37 F41 N42 E43A35-P39 VanDerWaalsContact O-CD 3.31Å; A35-P39 WeakPolarHBondContact O-CD 3.45Å; L37-P39 VanDerWaalsContact C-CD 3.49Å; P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 PolarHBondContact O-N 2.94Å; P39-N42 PolarHBondContact O-N 3.21Å; P39-E43 PolarHBondContact O-N 3Å
40Y91.3Very high87.1Confident95 Ų9548.5 Ų48.537%0.37328%0.275SS..Hα-helixtrans-67.1-36.2177.2-55.9-56.2000112R36 L37 A38 E43 L98R36-Y40 WeakPolarHBondContact O-CD2 3.39Å; R36-Y40 WeakPolarHBondContact O-CE2 3.1Å; L37-Y40 PolarHBondContact O-N 2.85Å; L37-Y40 VanDerWaalsContact O-N 3.08Å; A38-Y40 VanDerWaalsContact C-N 3.35Å; A38-Y40 PolarHBondContact O-N 3.34Å; Y40-E43 WeakPolarHBondContact O-CB 3.15Å; Y40-E43 PolarHBondContact O-N 2.86Å; Y40-L98 HydrophobicContact CD1-CB 3.84Å; Y40-L98 HydrophobicContact CG-CB 4.13Å; Y40-L98 WeakPolarHBondContact O-CD1 3.44Å
41F91.8Very high87.3Confident4 Ų444.5 Ų44.52%0.01825%0.246CC..Hα-helixtrans-67.7-39.5177.2-171-98.1000112.1I23 M25 L37 A38 P39 E43 I44 P53 A55 V138I23-F41 HydrophobicContact CD1-CE2 4.47Å; I23-F41 HydrophobicContact CG1-CE2 4.15Å; I23-F41 HydrophobicContact CG2-CE2 4.05Å; I23-F41 HydrophobicContact CG2-CZ 4.2Å; M25-F41 HydrophobicContact CB-CD1 4.26Å; M25-F41 HydrophobicContact CB-CD2 3.8Å; M25-F41 HydrophobicContact CB-CE1 4Å; M25-F41 HydrophobicContact CB-CE2 3.53Å; M25-F41 HydrophobicContact CB-CG 4.15Å; M25-F41 HydrophobicContact CB-CZ 3.63Å; M25-F41 HydrophobicContact CE-CB 3.95Å; M25-F41 HydrophobicContact CE-CD1 3.72Å; M25-F41 HydrophobicContact CE-CD2 4.5Å; M25-F41 HydrophobicContact CE-CE1 4.36Å; M25-F41 HydrophobicContact CE-CG 3.79Å; M25-F41 HydrophobicContact CG-CD2 4.49Å; M25-F41 HydrophobicContact SD-CB 3.95Å; M25-F41 HydrophobicContact SD-CD1 4.38Å; M25-F41 HydrophobicContact SD-CD2 4.11Å; M25-F41 HydrophobicContact SD-CG 3.88Å; L37-F41 PolarHBondContact O-N 2.93Å; A38-F41 PolarHBondContact O-N 3.01Å; P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 PolarHBondContact O-N 2.94Å; F41-E43 VanDerWaalsContact C-N 3.28Å; F41-E43 PolarHBondContact O-N 2.88Å; F41-I44 WeakPolarHBondContact O-CB 3.43Å; F41-I44 PolarHBondContact O-N 3.08Å; F41-P53 HydrophobicContact CE1-CB 3.89Å; F41-P53 HydrophobicContact CZ-CB 3.92Å; F41-A55 HydrophobicContact CE1-CB 4.46Å; F41-V138 HydrophobicContact CD1-CG2 4.06Å; F41-V138 HydrophobicContact CE1-CG2 4.49Å
42N89.4Confident87.2Confident46 Ų4644.2 Ų44.225%0.24624%0.244CC..Hα-helixtrans-64.6-33.6177-65.2-19.2000111.9A38 P39 I44 A45 V138A38-N42 VanDerWaalsContact O-CG 3.26Å; A38-N42 PolarHBondContact O-N 2.76Å; A38-N42 PolarHBondContact O-ND2 3.47Å; P39-N42 PolarHBondContact O-N 3.21Å; N42-I44 VanDerWaalsContact C-N 3.26Å; N42-I44 PolarHBondContact O-N 3.32Å; N42-A45 WeakPolarHBondContact O-CB 3.26Å; N42-A45 PolarHBondContact O-N 2.93Å; N42-V138 PolarHBondContact ND2-N 2.85Å; N42-V138 WeakPolarHBondContact OD1-CB 3.42Å; N42-V138 WeakPolarHBondContact OD1-CG2 3.41Å; N42-V138 PolarHBondContact OD1-N 3.33Å
43E87.6Confident87.4Confident95 Ų9542.5 Ų42.544%0.44423%0.232SC..Hα-helixtrans-61-34.1177.6-166.1-179.3150.100112.8P39 Y40 F41 A45 G46 S47 L98P39-E43 PolarHBondContact O-N 3Å; Y40-E43 WeakPolarHBondContact O-CB 3.15Å; Y40-E43 PolarHBondContact O-N 2.86Å; F41-E43 VanDerWaalsContact C-N 3.28Å; F41-E43 PolarHBondContact O-N 2.88Å; E43-A45 PolarHBondContact O-N 2.97Å; E43-A45 VanDerWaalsContact O-N 3.15Å; E43-G46 PolarHBondContact O-N 2.87Å; E43-S47 PolarHBondContact O-N 2.9Å; E43-S47 VanDerWaalsContact O-N 3.17Å; E43-S47 PolarHBondContact O-OG 3.08Å; E43-L98 HydrophobicContact CB-CD1 4.33Å; E43-L98 VanDerWaalsContact OE1-CD2 3.3Å; E43-L98 WeakPolarHBondContact OE1-CD2 3.46Å; E43-L98 WeakPolarHBondContact OE2-CD2 3.49Å
44I88.3Confident87.4Confident0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-58.5-31.6-179.2-61.8-64.2000112.4I23 F41 N42 G46 S47 Y48 I51 L98 I101 K102 I105I23-I44 HydrophobicContact CG2-CG2 4.15Å; F41-I44 WeakPolarHBondContact O-CB 3.43Å; F41-I44 PolarHBondContact O-N 3.08Å; N42-I44 VanDerWaalsContact C-N 3.26Å; N42-I44 PolarHBondContact O-N 3.32Å; I44-G46 PolarHBondContact O-N 2.99Å; I44-S47 PolarHBondContact O-N 3.22Å; I44-Y48 HydrophobicContact CD1-CE2 4.07Å; I44-Y48 HydrophobicContact CG2-CD2 3.97Å; I44-Y48 HydrophobicContact CG2-CE2 4.39Å; I44-Y48 PolarHBondContact O-N 3.41Å; I44-I51 HydrophobicContact CG2-CG2 4.1Å; I44-L98 HydrophobicContact CD1-CD1 3.69Å; I44-L98 HydrophobicContact CG1-CD1 4.25Å; I44-I101 HydrophobicContact CD1-CB 4.28Å; I44-I101 HydrophobicContact CD1-CG2 3.67Å; I44-I101 HydrophobicContact CG1-CG2 3.78Å; I44-K102 HydrophobicContact CD1-CG 4.21Å; I44-I105 HydrophobicContact CD1-CD1 4.44Å; I44-I105 HydrophobicContact CG2-CD1 4.07Å
45A82.3Confident87.3Confident45 Ų4538.4 Ų38.437%0.37222%0.218SC..Hα-helixtrans-59.6-31.9177.300000112.8N42 E43 P53N42-A45 WeakPolarHBondContact O-CB 3.26Å; N42-A45 PolarHBondContact O-N 2.93Å; E43-A45 PolarHBondContact O-N 2.97Å; E43-A45 VanDerWaalsContact O-N 3.15Å; A45-P53 HydrophobicContact CB-CG 3.63Å
46G80.4Confident87.3Confident61 Ų6137.8 Ų37.863%0.62921%0.213SC*.Hα-helixtrans-92.1-25.5177.300000113.8E43 I44E43-G46 PolarHBondContact O-N 2.87Å; I44-G46 PolarHBondContact O-N 2.99Å
47S86Confident87.4Confident10 Ų1033.3 Ų33.37%0.0720%0.199CC..Hα-helixtrans-75.6-23.2-175.9-59.50000114.3E43 I44 N114E43-S47 PolarHBondContact O-N 2.9Å; E43-S47 VanDerWaalsContact O-N 3.17Å; E43-S47 PolarHBondContact O-OG 3.08Å; I44-S47 PolarHBondContact O-N 3.22Å; S47-N114 PolarHBondContact O-N 3.49Å
48Y85.8Confident87.3Confident12 Ų1233.7 Ų33.75%0.04720%0.202CC..  trans-134.8139.4-173.5-65-87.5000111.4I44 I51 K102 I105 L111 E113I44-Y48 HydrophobicContact CD1-CE2 4.07Å; I44-Y48 HydrophobicContact CG2-CD2 3.97Å; I44-Y48 HydrophobicContact CG2-CE2 4.39Å; I44-Y48 PolarHBondContact O-N 3.41Å; Y48-I51 VanDerWaalsContact CB-CG2 3.41Å; Y48-I51 HydrophobicContact CD2-CG2 4.32Å; Y48-I51 HydrophobicContact CG-CG2 4.1Å; Y48-K102 HydrophobicContact CE2-CG 4.44Å; Y48-I105 HydrophobicContact CD1-CG2 4.49Å; Y48-I105 HydrophobicContact CD2-CD1 4.16Å; Y48-I105 HydrophobicContact CE1-CG2 3.99Å; Y48-I105 HydrophobicContact CE2-CD1 3.69Å; Y48-L111 HydrophobicContact CD1-CB 4.03Å; Y48-L111 HydrophobicContact CE1-CB 4.32Å; Y48-E113 HydrophobicContact CE1-CB 4.09Å
49T77.8Confident87.2Confident54 Ų5435.6 Ų35.633%0.33122%0.216SC..SBendtrans-87-29.8-176.155.70000114.2N120 F123T49-N120 HydrophobicContact CG2-CB 4.2Å; T49-F123 WeakPolarHBondContact O-CB 3.4Å; T49-F123 PolarHBondContact O-N 3.01Å
50N81.1Confident86.9Confident85 Ų8533.9 Ų33.946%0.45520%0.203SC..SBendtrans-115.927.7-172.1-63.3-28.2000112.9L111N50-L111 HydrophobicContact CB-CD2 3.79Å
51I86.3Confident86.6Confident12 Ų1236.1 Ų36.16%0.06222%0.215CC..EExtended strand (participates in β ladder)trans-122.7136.5173.1-155.5171.2000110.1C21 I23 I44 Y48 P53 L81 I105 L111C21-I51 HydrophobicContact CB-CG1 4.02Å; C21-I51 WeakPolarHBondContact O-CA 3.46Å; I23-I51 HydrophobicContact CB-CD1 3.89Å; I23-I51 HydrophobicContact CB-CG1 4.38Å; I23-I51 HydrophobicContact CG2-CD1 3.94Å; I23-I51 HydrophobicContact CG2-CG1 4.21Å; I44-I51 HydrophobicContact CG2-CG2 4.1Å; Y48-I51 VanDerWaalsContact CB-CG2 3.41Å; Y48-I51 HydrophobicContact CD2-CG2 4.32Å; Y48-I51 HydrophobicContact CG-CG2 4.1Å; I51-P53 WeakPolarHBondContact O-CD 3.5Å; I51-L81 HydrophobicContact CD1-CD1 4.31Å; I51-I105 HydrophobicContact CD1-CD1 3.59Å; I51-I105 HydrophobicContact CD1-CG1 3.75Å; I51-I105 HydrophobicContact CD1-CG2 4.17Å; I51-L111 HydrophobicContact CB-CD1 3.87Å; I51-L111 HydrophobicContact CD1-CD1 4.24Å; I51-L111 HydrophobicContact CG1-CD1 4.25Å
52L86.9Confident86.2Confident12 Ų1242.2 Ų42.26%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-99.8109173.8-178.968.1000110L9 W20 C21 M22 I23 V54 I124 L128L9-L52 HydrophobicContact CD1-CD2 4.08Å; L9-L52 HydrophobicContact CD2-CD2 4.4Å; W20-L52 HydrophobicContact CZ3-CD2 4.07Å; C21-L52 PolarHBondContact O-N 3.49Å; M22-L52 CarbonylContact C-O 3.53Å; M22-L52 VanDerWaalsContact CA-O 3.26Å; M22-L52 WeakPolarHBondContact CA-O 3.44Å; M22-L52 HydrophobicContact CB-CB 4.37Å; I23-L52 PolarHBondContact N-O 3.05Å; L52-V54 HydrophobicContact CD2-CG2 3.85Å; L52-V54 HydrophobicContact CG-CG2 3.81Å; L52-I124 HydrophobicContact CD1-CG1 4.31Å; L52-L128 HydrophobicContact CD1-CD2 3.66Å; L52-L128 HydrophobicContact CD2-CD1 3.87Å; L52-L128 HydrophobicContact CD2-CD2 3.65Å; L52-L128 HydrophobicContact CD2-CG 4.41Å; L52-L128 HydrophobicContact CG-CD2 4.29Å
53P88.9Confident85.9Confident25 Ų2545.5 Ų45.516%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-76.5129.1169.529.3-30.2000110.6I23 F41 A45 I51I23-P53 HydrophobicContact CG2-CB 3.96Å; I23-P53 CarbonylContact O-C 3.51Å; I23-P53 WeakPolarHBondContact O-CA 3.39Å; F41-P53 HydrophobicContact CE1-CB 3.89Å; F41-P53 HydrophobicContact CZ-CB 3.92Å; A45-P53 HydrophobicContact CB-CG 3.63Å; I51-P53 WeakPolarHBondContact O-CD 3.5Å
54V89.8Confident85.8Confident1 Ų141 Ų411%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-129.9126.1-178.6-177.30000109.4M1 L9 M22 I23 V24 M25 L52 I56M1-V54 HydrophobicContact CE-CG1 4.04Å; L9-V54 HydrophobicContact CD2-CG1 4.37Å; L9-V54 HydrophobicContact CD2-CG2 4.01Å; M22-V54 HydrophobicContact CG-CG2 4.36Å; M22-V54 HydrophobicContact SD-CG2 4.28Å; I23-V54 PolarHBondContact O-N 3.47Å; V24-V54 CarbonylContact C-O 3.52Å; V24-V54 WeakPolarHBondContact CA-O 3.34Å; V24-V54 HydrophobicContact CB-CB 4.47Å; V24-V54 HydrophobicContact CG1-CB 4.22Å; V24-V54 HydrophobicContact CG1-CG1 4.26Å; V24-V54 WeakPolarHBondContact CG1-O 3.16Å; V24-V54 HydrophobicContact CG2-CB 4.13Å; M25-V54 PolarHBondContact N-O 3.34Å; L52-V54 HydrophobicContact CD2-CG2 3.85Å; L52-V54 HydrophobicContact CG-CG2 3.81Å; V54-I56 HydrophobicContact CG1-CG1 4.24Å
55A89.6Confident85.8Confident19 Ų1945.9 Ų45.916%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-104.6130.9174.100000111.1M25 F41 V138M25-A55 WeakPolarHBondContact O-CA 3.47Å; F41-A55 HydrophobicContact CE1-CB 4.46Å; A55-V138 HydrophobicContact CB-CG2 3.36Å
56I89.8Confident86.1Confident0 Ų053.7 Ų53.70%029%0.286CS..EExtended strand (participates in β ladder)trans-121.7126178.5-56.9-179.8000108.9F6 V24 M25 F26 H27 V54 A58 L67F6-I56 HydrophobicContact CD2-CD1 3.4Å; F6-I56 HydrophobicContact CD2-CG1 4.47Å; F6-I56 HydrophobicContact CE2-CD1 3.62Å; F6-I56 HydrophobicContact CG-CD1 3.88Å; F6-I56 HydrophobicContact CZ-CD1 4.25Å; V24-I56 HydrophobicContact CG1-CD1 3.42Å; V24-I56 VanDerWaalsContact CG1-CD1 3.42Å; V24-I56 HydrophobicContact CG1-CG1 3.67Å; M25-I56 PolarHBondContact O-N 3.17Å; F26-I56 CarbonylContact C-O 3.56Å; F26-I56 WeakPolarHBondContact CA-O 3.31Å; F26-I56 HydrophobicContact CD1-CB 4.03Å; F26-I56 HydrophobicContact CD1-CG2 4.02Å; F26-I56 HydrophobicContact CE1-CB 4.19Å; F26-I56 HydrophobicContact CE1-CD1 3.98Å; F26-I56 HydrophobicContact CE1-CG2 4Å; F26-I56 HydrophobicContact CZ-CD1 4.12Å; H27-I56 VanDerWaalsContact CD2-C 3.5Å; H27-I56 PolarHBondContact CD2-O 3.42Å; H27-I56 VanDerWaalsContact CD2-O 3.23Å; H27-I56 PolarHBondContact N-O 3.39Å; V54-I56 HydrophobicContact CG1-CG1 4.24Å; I56-A58 PolarHBondContact O-N 3.43Å; I56-L67 HydrophobicContact CD1-CD1 4.16Å; I56-L67 HydrophobicContact CG2-CD1 4.3Å
57D89.9Confident86.6Confident46 Ų4651.2 Ų51.225%0.24626%0.258CS..EExtended strand (participates in β ladder)trans-73.7108170.6-173.7-1.7000110.2H27 P29 S59 S64H27-D57 WeakPolarHBondContact O-CA 3.46Å; P29-D57 WeakPolarHBondContact CD-OD1 3.3Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 VanDerWaalsContact OD1-CB 3.3Å; D57-S59 WeakPolarHBondContact OD1-CB 3.43Å; D57-S59 PolarHBondContact OD1-N 3.22Å; D57-S59 PolarHBondContact OD1-OG 3.23Å; D57-S59 PolarHBondContact OD2-OG 2.68Å; D57-S64 VanDerWaalsContact O-CB 3.29Å; D57-S64 WeakPolarHBondContact O-CB 3.43Å; D57-S64 PolarHBondContact O-OG 3.18Å
58A90.4Very high86.9Confident8 Ų851.4 Ų51.47%0.06626%0.258CS..SBendtrans-84.6-7.7178.100000113F26 H27 I56 N68 V73 T76F26-A58 HydrophobicContact CB-CB 4.2Å; F26-A58 HydrophobicContact CD1-CB 4.27Å; H27-A58 PolarHBondContact O-N 2.96Å; I56-A58 PolarHBondContact O-N 3.43Å; A58-N68 PolarHBondContact O-ND2 2.85Å; A58-V73 HydrophobicContact CB-CG1 4.34Å; A58-T76 HydrophobicContact CB-CG2 3.78Å
59S87.2Confident87.2Confident43 Ų4359 Ų5930%0.30129%0.292SS..SBendtrans-81.4-28.1-178.571.60000113.7S28 P29 D57 F61S28-S59 WeakPolarHBondContact OG-CB 3.4Å; P29-S59 WeakPolarHBondContact CD-OG 3.26Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 VanDerWaalsContact OD1-CB 3.3Å; D57-S59 WeakPolarHBondContact OD1-CB 3.43Å; D57-S59 PolarHBondContact OD1-N 3.22Å; D57-S59 PolarHBondContact OD1-OG 3.23Å; D57-S59 PolarHBondContact OD2-OG 2.68Å; S59-F61 WeakPolarHBondContact O-CD2 3.16Å; S59-F61 PolarHBondContact O-N 3.3Å
60D85.2Confident87.8Confident39 Ų3964.2 Ų64.221%0.20931%0.305CS..  trans-80.786.1175.7-171.8-13.1000111T62 K63 S64D60-T62 PolarHBondContact O-N 3Å; D60-T62 VanDerWaalsContact O-N 3.1Å; D60-T62 PolarHBondContact OD1-N 2.84Å; D60-T62 VanDerWaalsContact OD1-N 3.12Å; D60-T62 PolarHBondContact OD1-OG1 3.27Å; D60-K63 HydrophobicContact CB-CB 4.49Å; D60-K63 PolarHBondContact O-N 2.7Å; D60-K63 WeakPolarHBondContact OD2-CD 3.34Å; D60-K63 VanDerWaalsContact OD2-CE 3.25Å; D60-K63 WeakPolarHBondContact OD2-CE 3.44Å; D60-K63 WeakPolarHBondContact OD2-CG 3.44Å; D60-K63 IonicContact OD2-NZ 2.72Å; D60-K63 PolarHBondContact OD2-NZ 3.01Å; D60-S64 PolarHBondContact O-N 2.67Å; D60-S64 PolarHBondContact O-OG 3.26Å
61F83.9Confident88.3Confident142 Ų14261.9 Ų61.962%0.62329%0.29SS*.Hα-helixtrans-53-32.3178.5-73.5-83.8000113.1S59 K63 H65S59-F61 WeakPolarHBondContact O-CD2 3.16Å; S59-F61 PolarHBondContact O-N 3.3Å; F61-K63 VanDerWaalsContact C-N 3.25Å; F61-K63 PolarHBondContact O-N 3.36Å; F61-H65 WeakPolarHBondContact O-CB 3.47Å; F61-H65 PolarHBondContact O-N 3.22Å; F61-H65 VanDerWaalsContact O-N 3.13Å
62T83.7Confident88.6Confident131 Ų13163.1 Ų63.180%0.80431%0.306SS*.Hα-helixtrans-66-32.1-178.970.20000112D60D60-T62 PolarHBondContact O-N 3Å; D60-T62 VanDerWaalsContact O-N 3.1Å; D60-T62 PolarHBondContact OD1-N 2.84Å; D60-T62 VanDerWaalsContact OD1-N 3.12Å; D60-T62 PolarHBondContact OD1-OG1 3.27Å
63K83.6Confident88.9Confident115 Ų11563.4 Ų63.450%0.531%0.308SS..Hα-helixtrans-99.5-31.9-176.5-63.5-175.9-168.3123.60113.8N2 S3 D60 F61N2-K63 HydrophobicContact CB-CB 4.37Å; S3-K63 WeakPolarHBondContact CB-O 3.24Å; S3-K63 PolarHBondContact N-O 3.15Å; S3-K63 PolarHBondContact OG-O 3.45Å; D60-K63 HydrophobicContact CB-CB 4.49Å; D60-K63 PolarHBondContact O-N 2.7Å; D60-K63 WeakPolarHBondContact OD2-CD 3.34Å; D60-K63 VanDerWaalsContact OD2-CE 3.25Å; D60-K63 WeakPolarHBondContact OD2-CE 3.44Å; D60-K63 WeakPolarHBondContact OD2-CG 3.44Å; D60-K63 IonicContact OD2-NZ 2.72Å; D60-K63 PolarHBondContact OD2-NZ 3.01Å; F61-K63 VanDerWaalsContact C-N 3.25Å; F61-K63 PolarHBondContact O-N 3.36Å
64S84.5Confident88.9Confident0 Ų068 Ų680%034%0.342CS..Hα-helixtrans-117.3-3.6-170.561.40000115.2D57 D60 R66 L67 N68D57-S64 VanDerWaalsContact O-CB 3.29Å; D57-S64 WeakPolarHBondContact O-CB 3.43Å; D57-S64 PolarHBondContact O-OG 3.18Å; D60-S64 PolarHBondContact O-N 2.67Å; D60-S64 PolarHBondContact O-OG 3.26Å; S64-R66 VanDerWaalsContact C-N 3.32Å; S64-R66 PolarHBondContact O-N 3.44Å; S64-L67 WeakPolarHBondContact O-CB 3.43Å; S64-L67 PolarHBondContact O-N 3.15Å; S64-N68 PolarHBondContact O-N 3.31Å
65H88.4Confident88.9Confident104 Ų10469.7 Ų69.748%0.48136%0.359SS..Hα-helixtrans-54.5-43-176.417669.7000113.9F61 L67 N68 F69F61-H65 WeakPolarHBondContact O-CB 3.47Å; F61-H65 PolarHBondContact O-N 3.22Å; F61-H65 VanDerWaalsContact O-N 3.13Å; H65-L67 VanDerWaalsContact C-N 3.34Å; H65-L67 PolarHBondContact O-N 3.11Å; H65-N68 PolarHBondContact O-N 2.94Å; H65-F69 WeakPolarHBondContact O-CB 3.2Å; H65-F69 PolarHBondContact O-N 2.81Å
66R89.5Confident89Confident209 Ų20970.7 Ų70.779%0.78936%0.363SS*.Hα-helixtrans-64.9-37.8178.6-60.2-177.188.9177.66.7112.1S64 R70S64-R66 VanDerWaalsContact C-N 3.32Å; S64-R66 PolarHBondContact O-N 3.44Å; R66-R70 WeakPolarHBondContact O-CB 3.39Å; R66-R70 PolarHBondContact O-N 3.19Å
67L90.7Very high89.1Confident9 Ų971.7 Ų71.75%0.04737%0.369CS..Hα-helixtrans-68.4-47.8175.6-65.9179.6000111.2F6 F26 I56 S64 H65 F69 R70 Y71F6-L67 HydrophobicContact CB-CD1 3.83Å; F6-L67 HydrophobicContact CB-CD2 4.29Å; F6-L67 HydrophobicContact CD1-CD1 4.04Å; F6-L67 HydrophobicContact CD1-CD2 3.46Å; F6-L67 VanDerWaalsContact CD1-CD2 3.46Å; F6-L67 HydrophobicContact CD1-CG 4.39Å; F6-L67 HydrophobicContact CE1-CD2 4.2Å; F6-L67 HydrophobicContact CG-CD1 4.03Å; F6-L67 HydrophobicContact CG-CD2 4.22Å; F26-L67 HydrophobicContact CE1-CB 4.15Å; I56-L67 HydrophobicContact CD1-CD1 4.16Å; I56-L67 HydrophobicContact CG2-CD1 4.3Å; S64-L67 WeakPolarHBondContact O-CB 3.43Å; S64-L67 PolarHBondContact O-N 3.15Å; H65-L67 VanDerWaalsContact C-N 3.34Å; H65-L67 PolarHBondContact O-N 3.11Å; L67-F69 VanDerWaalsContact C-N 3.28Å; L67-F69 PolarHBondContact O-N 3.4Å; L67-R70 PolarHBondContact O-N 3Å; L67-Y71 HydrophobicContact CB-CD2 4.46Å; L67-Y71 HydrophobicContact CD2-CD2 4.44Å; L67-Y71 HydrophobicContact CD2-CE2 3.98Å; L67-Y71 WeakPolarHBondContact O-CD2 3.26Å; L67-Y71 PolarHBondContact O-N 3.41Å
68N92.1Very high89.3Confident13 Ų1370.3 Ų70.37%0.0736%0.363CS..Hα-helixtrans-58.6-44.5-178.4-67.4-10.6000110.5A58 S64 H65 G72 V73A58-N68 PolarHBondContact O-ND2 2.85Å; S64-N68 PolarHBondContact O-N 3.31Å; H65-N68 PolarHBondContact O-N 2.94Å; N68-G72 CarbonylContact O-C 3.59Å; N68-G72 WeakPolarHBondContact O-CA 3.34Å; N68-G72 PolarHBondContact O-N 3.03Å; N68-V73 HydrophobicContact CB-CB 4.04Å; N68-V73 PolarHBondContact O-N 3.25Å
69F91.4Very high89.5Confident172 Ų17270 Ų7075%0.75436%0.36SS*.Hα-helixtrans-65.8-49.9175.9-173.5-95.7000112.1H65 L67 Y71 G72H65-F69 WeakPolarHBondContact O-CB 3.2Å; H65-F69 PolarHBondContact O-N 2.81Å; L67-F69 VanDerWaalsContact C-N 3.28Å; L67-F69 PolarHBondContact O-N 3.4Å; F69-Y71 VanDerWaalsContact C-N 3.28Å; F69-Y71 PolarHBondContact O-N 3.18Å; F69-G72 PolarHBondContact O-N 3.36Å; F69-G72 VanDerWaalsContact O-N 3.15Å
70R91.1Very high89.9Confident164 Ų16468.3 Ų68.362%0.61935%0.347SS*.Hα-helixtrans-59.1-38.3-177-179172.1-176.5166.40.2113.1R66 L67R66-R70 WeakPolarHBondContact O-CB 3.39Å; R66-R70 PolarHBondContact O-N 3.19Å; L67-R70 PolarHBondContact O-N 3Å
71Y92Very high90.4Very high35 Ų3566.4 Ų66.414%0.13734%0.338CS..THydrogen-bonded Turntrans-100.78.4-178.6-62.9-69.1000113.1F6 F26 L67 F69 V73 W82 R90F6-Y71 HydrophobicContact CD1-CE2 4.3Å; F6-Y71 AromaticContact CE1-CE2 3.64Å; F6-Y71 HydrophobicContact CE1-CE2 3.64Å; F6-Y71 AromaticContact CE1-CZ 3.98Å; F26-Y71 HydrophobicContact CZ-CD2 4.18Å; L67-Y71 HydrophobicContact CB-CD2 4.46Å; L67-Y71 HydrophobicContact CD2-CD2 4.44Å; L67-Y71 HydrophobicContact CD2-CE2 3.98Å; L67-Y71 WeakPolarHBondContact O-CD2 3.26Å; L67-Y71 PolarHBondContact O-N 3.41Å; F69-Y71 VanDerWaalsContact C-N 3.28Å; F69-Y71 PolarHBondContact O-N 3.18Å; Y71-V73 PolarHBondContact O-N 2.82Å; Y71-W82 HydrophobicContact CD1-CZ2 4.03Å; Y71-W82 HydrophobicContact CE1-CZ2 4.01Å; Y71-W82 AromaticContact CE1-NE1 3.92Å; Y71-W82 HydrophobicContact CG-CZ2 4.3Å; Y71-R90 PolarHBondContact O-NH2 2.92Å
72G91.9Very high90.8Very high39 Ų3959.7 Ų59.740%0.40231%0.308SS..THydrogen-bonded Turntrans61.839.4176.200000113.9N68 F69 S74 R90N68-G72 CarbonylContact O-C 3.59Å; N68-G72 WeakPolarHBondContact O-CA 3.34Å; N68-G72 PolarHBondContact O-N 3.03Å; F69-G72 PolarHBondContact O-N 3.36Å; F69-G72 VanDerWaalsContact O-N 3.15Å; G72-S74 PolarHBondContact O-N 2.77Å; G72-R90 VanDerWaalsContact C-NH2 3.35Å; G72-R90 PolarHBondContact O-NH1 3.46Å; G72-R90 PolarHBondContact O-NH2 2.8Å
73V92.5Very high91.1Very high17 Ų1755 Ų5510%0.10328%0.279CS..  trans-82.492176.2-174.90000108.2F26 A58 N68 Y71F26-V73 HydrophobicContact CB-CG1 3.78Å; F26-V73 HydrophobicContact CB-CG2 4.29Å; F26-V73 HydrophobicContact CD1-CG1 4.28Å; F26-V73 HydrophobicContact CD1-CG2 3.85Å; F26-V73 HydrophobicContact CD2-CG2 3.61Å; F26-V73 HydrophobicContact CE1-CG2 4Å; F26-V73 HydrophobicContact CE2-CG2 3.74Å; F26-V73 HydrophobicContact CG-CB 4.46Å; F26-V73 HydrophobicContact CG-CG1 4.01Å; F26-V73 HydrophobicContact CG-CG2 3.65Å; F26-V73 HydrophobicContact CZ-CG2 3.95Å; A58-V73 HydrophobicContact CB-CG1 4.34Å; N68-V73 HydrophobicContact CB-CB 4.04Å; N68-V73 PolarHBondContact O-N 3.25Å; Y71-V73 PolarHBondContact O-N 2.82Å
74S89.7Confident91.3Very high123 Ų12352.4 Ų52.486%0.8627%0.271SS*.  trans-90.3-12.7176.961.10000113.4G72G72-S74 PolarHBondContact O-N 2.77Å
75G89.3Confident91.4Very high36 Ų3653.1 Ų53.137%0.37128%0.278SS..SBendtrans-160.4167.8-177.600000112.4T78G75-T78 PolarHBondContact O-OG1 3.28Å
76T91.5Very high91.5Very high40 Ų4054.3 Ų54.325%0.24529%0.285CS..SBendtrans-123.1146.3179.461.30000110.9C31 A58C31-T76 WeakPolarHBondContact CB-OG1 3.39Å; C31-T76 PolarHBondContact SG-O 3.18Å; C31-T76 PolarHBondContact SG-OG1 3.25Å; A58-T76 HydrophobicContact CB-CG2 3.78Å
77P92.9Very high91.6Very high20 Ų2046.7 Ų46.713%0.1326%0.264CS..SBendcis-78.3143.6-531.8-33.8000112.1F26 F33 L37 L96F26-P77 WeakPolarHBondContact O-CA 3.31Å; F33-P77 HydrophobicContact CB-CG 4.44Å; L37-P77 HydrophobicContact CB-CG 4.37Å; L37-P77 HydrophobicContact CD2-CB 3.61Å; L37-P77 HydrophobicContact CD2-CG 3.71Å; P77-L96 HydrophobicContact CG-CD1 3.97Å; P77-L96 HydrophobicContact CG-CD2 3.65Å; P77-L96 HydrophobicContact CG-CG 4.47Å
78T93.9Very high91.8Very high18 Ų1849.6 Ų49.611%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-121.7126.2167.9-580000109.2F26 G75 L80 R90F26-T78 PolarHBondContact N-O 3.02Å; F26-T78 PolarHBondContact O-N 3.15Å; G75-T78 PolarHBondContact O-OG1 3.28Å; T78-L80 HydrophobicContact CG2-CD1 3.44Å; T78-L80 VanDerWaalsContact CG2-CD1 3.44Å; T78-R90 HydrophobicContact CG2-CG 4.39Å
79I95.1Very high91.9Very high2 Ų249.5 Ų49.51%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-108.7131.9177.6-49.4177.5000109.2I23 V24 M25 L37 M91 I101 L104I23-I79 HydrophobicContact CD1-CG2 3.84Å; I23-I79 HydrophobicContact CG1-CG2 3.74Å; V24-I79 WeakPolarHBondContact O-CA 2.99Å; M25-I79 HydrophobicContact CG-CG1 4.48Å; L37-I79 HydrophobicContact CD1-CD1 4.33Å; L37-I79 HydrophobicContact CD2-CD1 3.57Å; L37-I79 HydrophobicContact CD2-CG1 3.94Å; L37-I79 HydrophobicContact CG-CD1 4.41Å; I79-M91 HydrophobicContact CB-CB 4.05Å; I79-M91 HydrophobicContact CB-CE 4.37Å; I79-M91 HydrophobicContact CB-SD 4.45Å; I79-M91 HydrophobicContact CD1-CE 3.56Å; I79-M91 HydrophobicContact CD1-SD 3.61Å; I79-M91 HydrophobicContact CG1-CE 3.95Å; I79-M91 HydrophobicContact CG1-SD 4.37Å; I79-M91 PolarHBondContact O-N 3.48Å; I79-I101 HydrophobicContact CD1-CD1 3.94Å; I79-I101 HydrophobicContact CD1-CG1 3.58Å; I79-L104 HydrophobicContact CG2-CD2 4.15Å
80L95.2Very high92Very high6 Ų646.1 Ų46.13%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-130.8154.4175.3-71.592.9000108.8V24 F26 T78 W82 S87 A89 R90V24-L80 PolarHBondContact N-O 2.77Å; V24-L80 PolarHBondContact O-N 3.45Å; F26-L80 HydrophobicContact CD2-CD1 3.81Å; F26-L80 HydrophobicContact CE2-CD1 3.91Å; T78-L80 HydrophobicContact CG2-CD1 3.44Å; T78-L80 VanDerWaalsContact CG2-CD1 3.44Å; L80-W82 HydrophobicContact CB-CE3 3.98Å; L80-W82 HydrophobicContact CB-CH2 3.18Å; L80-W82 HydrophobicContact CB-CZ2 4.19Å; L80-W82 HydrophobicContact CB-CZ3 3.04Å; L80-W82 HydrophobicContact CD1-CH2 4.25Å; L80-W82 HydrophobicContact CD2-CH2 3.96Å; L80-W82 HydrophobicContact CD2-CZ2 4.35Å; L80-W82 HydrophobicContact CG-CH2 4Å; L80-W82 HydrophobicContact CG-CZ3 4.29Å; L80-W82 WeakPolarHBondContact O-CZ3 3.41Å; L80-S87 WeakPolarHBondContact CD2-OG 3.49Å; L80-A89 CarbonylContact C-O 3.56Å; L80-A89 VanDerWaalsContact CA-O 3.3Å; L80-A89 WeakPolarHBondContact CA-O 3.38Å; L80-R90 HydrophobicContact CG-CB 4.33Å; L80-R90 HydrophobicContact CG-CG 4.33Å
81L94.8Very high92.1Very high0 Ų039.5 Ų39.50%024%0.241CC..EExtended strand (participates in β ladder)trans-110.3136.8175.4179.371000108.9I51 S87 V88 A89 L104 H108 T109I51-L81 HydrophobicContact CD1-CD1 4.31Å; L81-S87 CarbonylContact O-C 3.55Å; L81-S87 WeakPolarHBondContact O-CA 3.19Å; L81-V88 HydrophobicContact CB-CG2 4.05Å; L81-V88 HydrophobicContact CD2-CG2 3.7Å; L81-V88 HydrophobicContact CG-CG2 3.76Å; L81-V88 WeakPolarHBondContact O-CG2 3.4Å; L81-V88 PolarHBondContact O-N 3.31Å; L81-A89 HydrophobicContact CB-CB 4.33Å; L81-A89 PolarHBondContact N-O 3.4Å; L81-L104 HydrophobicContact CB-CD2 4.24Å; L81-L104 HydrophobicContact CB-CG 4.41Å; L81-H108 HydrophobicContact CD2-CB 3.44Å; L81-H108 VanDerWaalsContact CD2-CB 3.44Å; L81-T109 HydrophobicContact CD1-CG2 4.36Å; L81-T109 HydrophobicContact CD2-CG2 3.76Å
82W93.4Very high91.8Very high1 Ų143.2 Ų43.20%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-117.8141.9171.4-72.1-116.3000110F6 C21 M22 V24 F26 Y71 L80 M86F6-W82 HydrophobicContact CE1-CZ2 4.38Å; F6-W82 AromaticContact CZ-CE2 3.9Å; F6-W82 HydrophobicContact CZ-CH2 4.45Å; F6-W82 AromaticContact CZ-CZ2 3.84Å; F6-W82 HydrophobicContact CZ-CZ2 3.84Å; C21-W82 WeakPolarHBondContact CA-O 3.33Å; M22-W82 HydrophobicContact CB-CB 4.19Å; M22-W82 HydrophobicContact CE-CB 3.57Å; M22-W82 HydrophobicContact CE-CD2 4.44Å; M22-W82 HydrophobicContact CE-CG 3.69Å; M22-W82 HydrophobicContact CG-CB 3.86Å; M22-W82 HydrophobicContact CG-CD2 4.34Å; M22-W82 HydrophobicContact CG-CE3 4.2Å; M22-W82 HydrophobicContact CG-CG 4.21Å; M22-W82 PolarHBondContact N-O 3.35Å; M22-W82 PolarHBondContact O-N 2.92Å; M22-W82 HydrophobicContact SD-CB 4.37Å; M22-W82 HydrophobicContact SD-CG 4.34Å; V24-W82 HydrophobicContact CB-CE3 3.87Å; V24-W82 HydrophobicContact CB-CH2 3.6Å; V24-W82 HydrophobicContact CB-CZ3 3.18Å; V24-W82 HydrophobicContact CG1-CH2 4.36Å; V24-W82 HydrophobicContact CG1-CZ3 4.35Å; V24-W82 HydrophobicContact CG2-CD2 3.94Å; V24-W82 HydrophobicContact CG2-CE3 3.3Å; V24-W82 HydrophobicContact CG2-CH2 3.69Å; V24-W82 HydrophobicContact CG2-CZ2 4.29Å; V24-W82 HydrophobicContact CG2-CZ3 3.16Å; F26-W82 AromaticContact CE2-CH2 3.95Å; F26-W82 HydrophobicContact CE2-CH2 3.95Å; Y71-W82 HydrophobicContact CD1-CZ2 4.03Å; Y71-W82 HydrophobicContact CE1-CZ2 4.01Å; Y71-W82 AromaticContact CE1-NE1 3.92Å; Y71-W82 HydrophobicContact CG-CZ2 4.3Å; L80-W82 HydrophobicContact CB-CE3 3.98Å; L80-W82 HydrophobicContact CB-CH2 3.18Å; L80-W82 HydrophobicContact CB-CZ2 4.19Å; L80-W82 HydrophobicContact CB-CZ3 3.04Å; L80-W82 HydrophobicContact CD1-CH2 4.25Å; L80-W82 HydrophobicContact CD2-CH2 3.96Å; L80-W82 HydrophobicContact CD2-CZ2 4.35Å; L80-W82 HydrophobicContact CG-CH2 4Å; L80-W82 HydrophobicContact CG-CZ3 4.29Å; L80-W82 WeakPolarHBondContact O-CZ3 3.41Å; W82-M86 CarbonylContact C-O 3.6Å; W82-M86 WeakPolarHBondContact CA-O 3.47Å; W82-M86 WeakPolarHBondContact CB-O 3.33Å; W82-M86 VanDerWaalsContact CD1-C 3.42Å
83V90.5Very high91.2Very high31 Ų3145.7 Ų45.719%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-127.7125.3169.8-179.30000106.1G85 M86 V88 T109V83-G85 VanDerWaalsContact C-N 3.25Å; V83-G85 PolarHBondContact O-N 3.05Å; V83-M86 PolarHBondContact N-O 3.41Å; V83-M86 PolarHBondContact O-N 3.31Å; V83-V88 HydrophobicContact CB-CG1 3.92Å; V83-V88 HydrophobicContact CG2-CG1 4.03Å; V83-V88 HydrophobicContact CG2-CG2 3.78Å; V83-T109 HydrophobicContact CG2-CG2 4.33Å
84N87Confident90.6Very high62 Ų6254.6 Ų54.633%0.33231%0.314SS..THydrogen-bonded Turntrans53.640.5179.3-63.4-19.8000114.1D19 W20 M86D19-N84 WeakPolarHBondContact CA-OD1 3.36Å; D19-N84 WeakPolarHBondContact CB-OD1 3.44Å; D19-N84 VanDerWaalsContact CG-ND2 3.28Å; D19-N84 PolarHBondContact OD1-ND2 3.44Å; D19-N84 PolarHBondContact OD1-OD1 3.23Å; W20-N84 PolarHBondContact N-OD1 3.06Å; W20-N84 PolarHBondContact O-N 3.44Å; N84-M86 PolarHBondContact O-N 2.74Å
85G86.4Confident90.4Very high14 Ų1456 Ų5614%0.14430%0.304CS..THydrogen-bonded Turntrans78.3-2.9179.400000115.4T10 V83T10-G85 WeakPolarHBondContact O-CA 3.46Å; V83-G85 VanDerWaalsContact C-N 3.25Å; V83-G85 PolarHBondContact O-N 3.05Å
86M89.6Confident90.3Very high129 Ų12956 Ų5664%0.63530%0.296SS*.EExtended strand (participates in β ladder)trans-103.1134.5177.2-62.2-174-67.200110.7W82 V83 N84 V88W82-M86 CarbonylContact C-O 3.6Å; W82-M86 WeakPolarHBondContact CA-O 3.47Å; W82-M86 WeakPolarHBondContact CB-O 3.33Å; W82-M86 VanDerWaalsContact CD1-C 3.42Å; V83-M86 PolarHBondContact N-O 3.41Å; V83-M86 PolarHBondContact O-N 3.31Å; N84-M86 PolarHBondContact O-N 2.74Å; M86-V88 PolarHBondContact O-N 2.92Å
87S92.6Very high90.3Very high50 Ų5057.5 Ų57.535%0.3530%0.303SS..EExtended strand (participates in β ladder)trans-73118.3173.1-174.90000109.2L80 L81L80-S87 WeakPolarHBondContact CD2-OG 3.49Å; L81-S87 CarbonylContact O-C 3.55Å; L81-S87 WeakPolarHBondContact O-CA 3.19Å
88V94.1Very high90.3Very high70 Ų7057.5 Ų57.542%0.42430%0.301SS..EExtended strand (participates in β ladder)trans-103.2-32.7-174.7-64.90000112.8L81 V83 M86L81-V88 HydrophobicContact CB-CG2 4.05Å; L81-V88 HydrophobicContact CD2-CG2 3.7Å; L81-V88 HydrophobicContact CG-CG2 3.76Å; L81-V88 WeakPolarHBondContact O-CG2 3.4Å; L81-V88 PolarHBondContact O-N 3.31Å; V83-V88 HydrophobicContact CB-CG1 3.92Å; V83-V88 HydrophobicContact CG2-CG1 4.03Å; V83-V88 HydrophobicContact CG2-CG2 3.78Å; M86-V88 PolarHBondContact O-N 2.92Å
89A94.6Very high90.2Very high11 Ų1162.6 Ų62.69%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-151.2152.9-172.700000112L80 L81 L104 H108L80-A89 CarbonylContact C-O 3.56Å; L80-A89 VanDerWaalsContact CA-O 3.3Å; L80-A89 WeakPolarHBondContact CA-O 3.38Å; L81-A89 HydrophobicContact CB-CB 4.33Å; L81-A89 PolarHBondContact N-O 3.4Å; A89-L104 HydrophobicContact CB-CD1 3.83Å; A89-H108 WeakPolarHBondContact CB-CD2 3.29Å; A89-H108 VanDerWaalsContact CB-NE2 3.32Å; A89-H108 WeakPolarHBondContact CB-NE2 3.41Å
90R94.4Very high90.1Very high101 Ų10163 Ų6338%0.38133%0.327SS..EExtended strand (participates in β ladder)trans-118.4140.8171.5-179.8-176.3-71.4-146.80.6108.6Y71 G72 T78 L80 S92Y71-R90 PolarHBondContact O-NH2 2.92Å; G72-R90 VanDerWaalsContact C-NH2 3.35Å; G72-R90 PolarHBondContact O-NH1 3.46Å; G72-R90 PolarHBondContact O-NH2 2.8Å; T78-R90 HydrophobicContact CG2-CG 4.39Å; L80-R90 HydrophobicContact CG-CB 4.33Å; L80-R90 HydrophobicContact CG-CG 4.33Å; R90-S92 PolarHBondContact O-N 3.16Å; R90-S92 VanDerWaalsContact O-N 3.08Å
91M92.2Very high90Very high24 Ų2462.7 Ų62.712%0.11833%0.325CS..  trans-59116.3172.7-169.2173.268.100110.1I79 L96 I101 L104I79-M91 HydrophobicContact CB-CB 4.05Å; I79-M91 HydrophobicContact CB-CE 4.37Å; I79-M91 HydrophobicContact CB-SD 4.45Å; I79-M91 HydrophobicContact CD1-CE 3.56Å; I79-M91 HydrophobicContact CD1-SD 3.61Å; I79-M91 HydrophobicContact CG1-CE 3.95Å; I79-M91 HydrophobicContact CG1-SD 4.37Å; I79-M91 PolarHBondContact O-N 3.48Å; M91-L96 HydrophobicContact CE-CD2 4.14Å; M91-I101 HydrophobicContact SD-CG1 4.4Å; M91-L104 HydrophobicContact CB-CD2 4.17Å
92S85.8Confident89.9Confident114 Ų11463.7 Ų63.780%0.79733%0.33SS*.  trans-84.3-27.7-178.5-64.40000112.5R90R90-S92 PolarHBondContact O-N 3.16Å; R90-S92 VanDerWaalsContact O-N 3.08Å
93N80.6Confident89.9Confident90 Ų9065.7 Ų65.748%0.48135%0.346SS..  trans-73132.1-177.3-71.1-16.2000111.3K95N93-K95 PolarHBondContact O-N 3.1Å
94K78.7Confident90Very high204 Ų20464.9 Ų64.989%0.88734%0.341SS*.SBendtrans-74.4-15.1172.1-66.7-174.1-179.6-176.40113.2
95K86.8Confident90.3Very high152 Ų15261.9 Ų61.966%0.66133%0.325SS*.  trans-77.6120.3178.7-68.1-173.1179.9-1790110.2N93 D97 S100N93-K95 PolarHBondContact O-N 3.1Å; K95-D97 VanDerWaalsContact C-N 3.26Å; K95-D97 PolarHBondContact O-N 3.14Å; K95-D97 VanDerWaalsContact O-N 3.12Å; K95-S100 PolarHBondContact O-OG 3.31Å
96L87.3Confident90.6Very high36 Ų3664.3 Ų64.319%0.18834%0.343CS..  trans-88.661.4-175-62.4178.6000110.7F33 L37 P77 M91F33-L96 HydrophobicContact CB-CD1 3.77Å; F33-L96 HydrophobicContact CD1-CD1 4.1Å; F33-L96 HydrophobicContact CG-CD1 4.41Å; L37-L96 HydrophobicContact CD1-CB 4.08Å; L37-L96 HydrophobicContact CD1-CD2 4.5Å; L37-L96 HydrophobicContact CD2-CD2 4.3Å; P77-L96 HydrophobicContact CG-CD1 3.97Å; P77-L96 HydrophobicContact CG-CD2 3.65Å; P77-L96 HydrophobicContact CG-CG 4.47Å; M91-L96 HydrophobicContact CE-CD2 4.14Å
97D91.3Very high90.8Very high73 Ų7363.1 Ų63.139%0.3934%0.343SS..SBendtrans-120.1154.9-172.5-51.6-19.5000110K95 E99 S100 I101K95-D97 VanDerWaalsContact C-N 3.26Å; K95-D97 PolarHBondContact O-N 3.14Å; K95-D97 VanDerWaalsContact O-N 3.12Å; D97-E99 VanDerWaalsContact C-N 3.26Å; D97-E99 PolarHBondContact O-N 3.32Å; D97-S100 WeakPolarHBondContact O-CB 3.47Å; D97-S100 PolarHBondContact O-N 2.87Å; D97-S100 VanDerWaalsContact O-N 3.17Å; D97-I101 PolarHBondContact O-N 2.81Å
98L91.6Very high90.8Very high19 Ų1965.3 Ų65.310%0.09935%0.348CS..Hα-helixtrans-55.4-41.6176.3-177.667.3000112.5Y40 E43 I44 S100 I101 K102Y40-L98 HydrophobicContact CD1-CB 3.84Å; Y40-L98 HydrophobicContact CG-CB 4.13Å; Y40-L98 WeakPolarHBondContact O-CD1 3.44Å; E43-L98 HydrophobicContact CB-CD1 4.33Å; E43-L98 VanDerWaalsContact OE1-CD2 3.3Å; E43-L98 WeakPolarHBondContact OE1-CD2 3.46Å; E43-L98 WeakPolarHBondContact OE2-CD2 3.49Å; I44-L98 HydrophobicContact CD1-CD1 3.69Å; I44-L98 HydrophobicContact CG1-CD1 4.25Å; L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 3.21Å; L98-I101 WeakPolarHBondContact O-CB 3.41Å; L98-I101 PolarHBondContact O-N 3.41Å; L98-K102 HydrophobicContact CG-CD 4.2Å; L98-K102 HydrophobicContact CG-CG 4.44Å; L98-K102 PolarHBondContact O-N 3.22Å
99E92.1Very high90.7Very high126 Ų12663 Ų6359%0.58933%0.334SS*.Hα-helixtrans-61.2-36-179.9-66-56.4130.100112.6D97 I101 K102 A103D97-E99 VanDerWaalsContact C-N 3.26Å; D97-E99 PolarHBondContact O-N 3.32Å; E99-I101 VanDerWaalsContact C-N 3.29Å; E99-I101 PolarHBondContact O-N 3.29Å; E99-K102 PolarHBondContact O-N 3.39Å; E99-A103 WeakPolarHBondContact O-CB 3.13Å; E99-A103 PolarHBondContact O-N 3.23Å
100S92.8Very high90.5Very high10 Ų1069.6 Ų69.67%0.0737%0.368CS..Hα-helixtrans-64.2-37.3175.2-68.10000111.6K95 D97 L98 L104K95-S100 PolarHBondContact O-OG 3.31Å; D97-S100 WeakPolarHBondContact O-CB 3.47Å; D97-S100 PolarHBondContact O-N 2.87Å; D97-S100 VanDerWaalsContact O-N 3.17Å; L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 3.21Å; S100-L104 PolarHBondContact O-N 3.33Å; S100-L104 VanDerWaalsContact O-N 3.12Å
101I93.4Very high90.2Very high0 Ų066 Ų660%036%0.356CS..Hα-helixtrans-68.5-48.4177-61.8166.7000110.1I23 L37 I44 I79 M91 D97 L98 E99 A103 L104 I105I23-I101 HydrophobicContact CD1-CG2 3.4Å; I23-I101 VanDerWaalsContact CD1-CG2 3.4Å; L37-I101 HydrophobicContact CD1-CD1 3.88Å; I44-I101 HydrophobicContact CD1-CB 4.28Å; I44-I101 HydrophobicContact CD1-CG2 3.67Å; I44-I101 HydrophobicContact CG1-CG2 3.78Å; I79-I101 HydrophobicContact CD1-CD1 3.94Å; I79-I101 HydrophobicContact CD1-CG1 3.58Å; M91-I101 HydrophobicContact SD-CG1 4.4Å; D97-I101 PolarHBondContact O-N 2.81Å; L98-I101 WeakPolarHBondContact O-CB 3.41Å; L98-I101 PolarHBondContact O-N 3.41Å; E99-I101 VanDerWaalsContact C-N 3.29Å; E99-I101 PolarHBondContact O-N 3.29Å; I101-A103 VanDerWaalsContact C-N 3.31Å; I101-A103 PolarHBondContact O-N 2.86Å; I101-L104 WeakPolarHBondContact O-CB 3.5Å; I101-L104 PolarHBondContact O-N 3.16Å; I101-L104 VanDerWaalsContact O-N 3.17Å; I101-I105 HydrophobicContact CG2-CD1 4.19Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.09Å; I101-I105 VanDerWaalsContact O-N 3.13Å
102K92.7Very high90Very high21 Ų2170.8 Ų70.89%0.09139%0.386CS..Hα-helixtrans-60.1-41.4177.5-68.1-178.9179.1176.40111.8I44 Y48 L98 E99 L104 I105 A106 E113I44-K102 HydrophobicContact CD1-CG 4.21Å; Y48-K102 HydrophobicContact CE2-CG 4.44Å; L98-K102 HydrophobicContact CG-CD 4.2Å; L98-K102 HydrophobicContact CG-CG 4.44Å; L98-K102 PolarHBondContact O-N 3.22Å; E99-K102 PolarHBondContact O-N 3.39Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-L104 PolarHBondContact O-N 2.74Å; K102-I105 PolarHBondContact O-N 3.25Å; K102-A106 WeakPolarHBondContact O-CB 3.48Å; K102-A106 PolarHBondContact O-N 3.45Å; K102-E113 WeakPolarHBondContact CE-OE1 3.3Å; K102-E113 IonicContact NZ-OE1 2.67Å; K102-E113 PolarHBondContact NZ-OE1 2.98Å; K102-E113 IonicContact NZ-OE2 3.5Å
103A92.9Very high90Very high43 Ų4368.3 Ų68.336%0.35536%0.362SS..Hα-helixtrans-61.8-40.917600000112.1E99 I101 I105 T107E99-A103 WeakPolarHBondContact O-CB 3.13Å; E99-A103 PolarHBondContact O-N 3.23Å; I101-A103 VanDerWaalsContact C-N 3.31Å; I101-A103 PolarHBondContact O-N 2.86Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 2.95Å; A103-T107 VanDerWaalsContact O-CB 3.24Å; A103-T107 WeakPolarHBondContact O-CB 3.44Å; A103-T107 PolarHBondContact O-N 2.82Å; A103-T107 PolarHBondContact O-OG1 3.03Å
104L93.9Very high90.1Very high13 Ų1366.3 Ų66.37%0.06835%0.351CS..Hα-helixtrans-60-44.5175.3-178.670.6000111.3I79 L81 A89 M91 S100 I101 K102 H108I79-L104 HydrophobicContact CG2-CD2 4.15Å; L81-L104 HydrophobicContact CB-CD2 4.24Å; L81-L104 HydrophobicContact CB-CG 4.41Å; A89-L104 HydrophobicContact CB-CD1 3.83Å; M91-L104 HydrophobicContact CB-CD2 4.17Å; S100-L104 PolarHBondContact O-N 3.33Å; S100-L104 VanDerWaalsContact O-N 3.12Å; I101-L104 WeakPolarHBondContact O-CB 3.5Å; I101-L104 PolarHBondContact O-N 3.16Å; I101-L104 VanDerWaalsContact O-N 3.17Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-L104 PolarHBondContact O-N 2.74Å; L104-H108 PolarHBondContact O-CD2 3.38Å; L104-H108 PolarHBondContact O-N 3.22Å
105I92.8Very high89.8Confident0 Ų065.1 Ų65.10%035%0.346CS..Hα-helixtrans-64.2-56.6178.3-62.1166.6000109.2I23 I44 Y48 I51 I101 K102 A103 T107 H108 T109 L111I23-I105 HydrophobicContact CD1-CD1 4.07Å; I23-I105 HydrophobicContact CD1-CG1 4.13Å; I44-I105 HydrophobicContact CD1-CD1 4.44Å; I44-I105 HydrophobicContact CG2-CD1 4.07Å; Y48-I105 HydrophobicContact CD1-CG2 4.49Å; Y48-I105 HydrophobicContact CD2-CD1 4.16Å; Y48-I105 HydrophobicContact CE1-CG2 3.99Å; Y48-I105 HydrophobicContact CE2-CD1 3.69Å; I51-I105 HydrophobicContact CD1-CD1 3.59Å; I51-I105 HydrophobicContact CD1-CG1 3.75Å; I51-I105 HydrophobicContact CD1-CG2 4.17Å; I101-I105 HydrophobicContact CG2-CD1 4.19Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.09Å; I101-I105 VanDerWaalsContact O-N 3.13Å; K102-I105 PolarHBondContact O-N 3.25Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 2.95Å; I105-T107 PolarHBondContact O-N 3.33Å; I105-T107 VanDerWaalsContact O-N 3.16Å; I105-H108 PolarHBondContact O-N 2.99Å; I105-H108 VanDerWaalsContact O-N 3.1Å; I105-T109 WeakPolarHBondContact CG2-OG1 3.5Å; I105-T109 PolarHBondContact O-N 3.09Å; I105-T109 PolarHBondContact O-OG1 3.12Å; I105-L111 HydrophobicContact CG2-CB 4.05Å; I105-L111 HydrophobicContact CG2-CD1 4.18Å
106A92.7Very high88.7Confident64 Ų6463.8 Ų63.853%0.52935%0.346SS..Hα-helixtrans-62.3-26.7-175.700000114.3K102K102-A106 WeakPolarHBondContact O-CB 3.48Å; K102-A106 PolarHBondContact O-N 3.45Å
107T93.6Very high87.1Confident104 Ų10465.9 Ų65.964%0.63838%0.376SS*.Hα-helixtrans-77.1-29.8178.7-57.60000112.3A103 I105A103-T107 VanDerWaalsContact O-CB 3.24Å; A103-T107 WeakPolarHBondContact O-CB 3.44Å; A103-T107 PolarHBondContact O-N 2.82Å; A103-T107 PolarHBondContact O-OG1 3.03Å; I105-T107 PolarHBondContact O-N 3.33Å; I105-T107 VanDerWaalsContact O-N 3.16Å
108H93.4Very high84.9Confident97 Ų9770.5 Ų70.545%0.44939%0.393SS..Hα-helixtrans-115.3-9.8-170.8-69.9-71.5000114L81 A89 L104 I105L81-H108 HydrophobicContact CD2-CB 3.44Å; L81-H108 VanDerWaalsContact CD2-CB 3.44Å; A89-H108 WeakPolarHBondContact CB-CD2 3.29Å; A89-H108 VanDerWaalsContact CB-NE2 3.32Å; A89-H108 WeakPolarHBondContact CB-NE2 3.41Å; L104-H108 PolarHBondContact O-CD2 3.38Å; L104-H108 PolarHBondContact O-N 3.22Å; I105-H108 PolarHBondContact O-N 2.99Å; I105-H108 VanDerWaalsContact O-N 3.1Å
109T91.6Very high82.9Confident20 Ų2077.5 Ų77.512%0.12343%0.43CS..  trans-134.2162.4178.176.70000110.8L81 V83 I105 L111L81-T109 HydrophobicContact CD1-CG2 4.36Å; L81-T109 HydrophobicContact CD2-CG2 3.76Å; V83-T109 HydrophobicContact CG2-CG2 4.33Å; I105-T109 WeakPolarHBondContact CG2-OG1 3.5Å; I105-T109 PolarHBondContact O-N 3.09Å; I105-T109 PolarHBondContact O-OG1 3.12Å; T109-L111 WeakPolarHBondContact OG1-CB 3.39Å; T109-L111 WeakPolarHBondContact OG1-CG 3.44Å; T109-L111 PolarHBondContact OG1-N 3.45Å
110D90.4Very high80.6Confident150 Ų15076.3 Ų76.380%0.80243%0.428SS*.  trans-88.815.2173.962.2-27.5000112.6V112D110-V112 PolarHBondContact O-N 2.87Å
111L88.3Confident78.5Confident27 Ų2784.8 Ų84.814%0.14147%0.467CS..PPolyproline II helixtrans-74.6129-176.9-62.7-178.2000111.6C21 Y48 N50 I51 I105 T109C21-L111 HydrophobicContact CB-CD1 3.94Å; Y48-L111 HydrophobicContact CD1-CB 4.03Å; Y48-L111 HydrophobicContact CE1-CB 4.32Å; N50-L111 HydrophobicContact CB-CD2 3.79Å; I51-L111 HydrophobicContact CB-CD1 3.87Å; I51-L111 HydrophobicContact CD1-CD1 4.24Å; I51-L111 HydrophobicContact CG1-CD1 4.25Å; I105-L111 HydrophobicContact CG2-CB 4.05Å; I105-L111 HydrophobicContact CG2-CD1 4.18Å; T109-L111 WeakPolarHBondContact OG1-CB 3.39Å; T109-L111 WeakPolarHBondContact OG1-CG 3.44Å; T109-L111 PolarHBondContact OG1-N 3.45Å
112V86.4Confident76.4Confident124 Ų12487.3 Ų87.375%0.75248%0.484SS*.PPolyproline II helixtrans-100.3135.8177.4-1750000110D110D110-V112 PolarHBondContact O-N 2.87Å
113E87.1Confident74.6Confident62 Ų6291.2 Ų91.229%0.2950%0.501SS..PPolyproline II helixtrans-69.1130.1174.8-177.4179.1-167.400111.1Y48 K102 K115Y48-E113 HydrophobicContact CE1-CB 4.09Å; K102-E113 WeakPolarHBondContact CE-OE1 3.3Å; K102-E113 IonicContact NZ-OE1 2.67Å; K102-E113 PolarHBondContact NZ-OE1 2.98Å; K102-E113 IonicContact NZ-OE2 3.5Å; E113-K115 PolarHBondContact O-N 3Å
114N82.6Confident72.8Confident47 Ų4792.1 Ų92.125%0.25150%0.5SS..  trans-85.398.9173.6-173.77.6000110.5S47 N116 N120S47-N114 PolarHBondContact O-N 3.49Å; N114-N116 PolarHBondContact ND2-O 2.96Å; N114-N116 PolarHBondContact O-N 2.93Å; N114-N116 PolarHBondContact OD1-N 3.17Å; N114-N116 VanDerWaalsContact OD1-N 3.15Å; N114-N116 PolarHBondContact OD1-O 3.47Å; N114-N120 PolarHBondContact ND2-ND2 2.84Å
115K72.1Confident70.8Confident179 Ų17993.4 Ų93.478%0.77851%0.509SS*.  trans-70.1-15.1178.1-61-173.2179.6-176.80113.8E113 G117E113-K115 PolarHBondContact O-N 3Å; K115-G117 PolarHBondContact O-N 2.62Å
116N62.7Low68.9Low125 Ų12599 Ų9967%0.66854%0.542SS*.SBendtrans-95.392.9178-68.5-27.7000107.9N114 K118N114-N116 PolarHBondContact ND2-O 2.96Å; N114-N116 PolarHBondContact O-N 2.93Å; N114-N116 PolarHBondContact OD1-N 3.17Å; N114-N116 VanDerWaalsContact OD1-N 3.15Å; N114-N116 PolarHBondContact OD1-O 3.47Å; N116-K118 PolarHBondContact O-N 2.97Å
117G55Low66.9Low79 Ų79100 Ų10081%0.81454%0.535SS*.  trans-63.851.7177.400000114.6K115K115-G117 PolarHBondContact O-N 2.62Å
118K45.2Very low65.3Low171 Ų17195.3 Ų95.374%0.74351%0.506SS*.  trans-99.7121.3166.8-72.7-171.8178.1-179.60107.5N116 N120N116-K118 PolarHBondContact O-N 2.97Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.46Å
119N48.9Very low63.4Low165 Ų16598 Ų9888%0.88252%0.518SS*.  trans-32.979.8173.8-59.1-21000113.5Q121N119-Q121 PolarHBondContact O-N 3.17Å
120N44.4Very low61.6Low101 Ų101103.5 Ų103.554%0.5455%0.547SS..  trans-85.2113160.9-69.2-18.2000103.6T49 N114 K118 S122T49-N120 HydrophobicContact CG2-CB 4.2Å; N114-N120 PolarHBondContact ND2-ND2 2.84Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.46Å; N120-S122 PolarHBondContact O-N 3.46Å
121Q47.8Very low60.3Low189 Ų18998 Ų9888%0.88352%0.519SS*.  trans-39111.9168.9-78.1165.8-24.400106.9N119 F123N119-Q121 PolarHBondContact O-N 3.17Å; Q121-F123 PolarHBondContact O-N 3.39Å
122S50.4Low58.8Low52 Ų5299.9 Ų99.936%0.36455%0.545SS..  trans-48.2131.3173.741.40000105.5N120 I124N120-S122 PolarHBondContact O-N 3.46Å; S122-I124 PolarHBondContact O-N 2.6Å; S122-I124 VanDerWaalsContact OG-CD1 3.26Å; S122-I124 WeakPolarHBondContact OG-CD1 3.44Å; S122-I124 WeakPolarHBondContact OG-CG1 3.21Å
123F53.5Low57.8Low104 Ų10497.1 Ų97.146%0.45652%0.522SS..  trans-71.157.1171.2-165.5-93.6000107.3T49 Q121 P125T49-F123 WeakPolarHBondContact O-CB 3.4Å; T49-F123 PolarHBondContact O-N 3.01Å; Q121-F123 PolarHBondContact O-N 3.39Å; F123-P125 HydrophobicContact CE1-CB 4.46Å; F123-P125 WeakPolarHBondContact O-CD 3.37Å
124I55.6Low56.7Low62 Ų62100 Ų10032%0.31854%0.536SS..  trans-67.8106157.3-62.2171.5000101.4L52 S122 V126 L128 V135L52-I124 HydrophobicContact CD1-CG1 4.31Å; S122-I124 PolarHBondContact O-N 2.6Å; S122-I124 VanDerWaalsContact OG-CD1 3.26Å; S122-I124 WeakPolarHBondContact OG-CD1 3.44Å; S122-I124 WeakPolarHBondContact OG-CG1 3.21Å; I124-V126 PolarHBondContact O-N 3.24Å; I124-L128 HydrophobicContact CG2-CB 3.65Å; I124-L128 HydrophobicContact CG2-CD2 3.91Å; I124-L128 HydrophobicContact CG2-CG 4.34Å; I124-V135 HydrophobicContact CD1-CG2 4.42Å
125P52.8Low55.9Low40 Ų40103 Ų10326%0.2656%0.555SS.*  trans-54.5137.3-179.924-33000107F123 K127 L128F123-P125 HydrophobicContact CE1-CB 4.46Å; F123-P125 WeakPolarHBondContact O-CD 3.37Å; P125-K127 HydrophobicContact CB-CB 4.13Å; P125-K127 PolarHBondContact O-N 3.42Å; P125-L128 HydrophobicContact CG-CD1 3.79Å; P125-L128 WeakPolarHBondContact O-CB 3.35Å; P125-L128 PolarHBondContact O-N 2.93Å
126V52.4Low56Low117 Ų117100.8 Ų100.871%0.70955%0.545SS*.Hα-helixtrans-47.9-20.5172.1178.70000111.6I124 L128I124-V126 PolarHBondContact O-N 3.24Å; V126-L128 PolarHBondContact O-N 2.94Å
127K50.7Low56.6Low84 Ų84101 Ų10137%0.36555%0.546SS..Hα-helixtrans-64.5-24.9172.1-147.4167-175174.80115.3L12 R13 P125 V131L12-K127 HydrophobicContact CD2-CD 4.46Å; R13-K127 PolarHBondContact O-NZ 3.12Å; P125-K127 HydrophobicContact CB-CB 4.13Å; P125-K127 PolarHBondContact O-N 3.42Å; K127-V131 WeakPolarHBondContact O-CG2 2.92Å
128L60.7Low57.7Low6 Ų698 Ų983%0.03151%0.512CS..Hα-helixtrans-74.1-32178.2-122.485.1000112.6L9 L12 L52 I124 P125 V126 N130 V131 Y133L9-L128 HydrophobicContact CD1-CD1 3.6Å; L9-L128 HydrophobicContact CD1-CG 4.24Å; L12-L128 HydrophobicContact CD1-CD1 4.36Å; L52-L128 HydrophobicContact CD1-CD2 3.66Å; L52-L128 HydrophobicContact CD2-CD1 3.87Å; L52-L128 HydrophobicContact CD2-CD2 3.65Å; L52-L128 HydrophobicContact CD2-CG 4.41Å; L52-L128 HydrophobicContact CG-CD2 4.29Å; I124-L128 HydrophobicContact CG2-CB 3.65Å; I124-L128 HydrophobicContact CG2-CD2 3.91Å; I124-L128 HydrophobicContact CG2-CG 4.34Å; P125-L128 HydrophobicContact CG-CD1 3.79Å; P125-L128 WeakPolarHBondContact O-CB 3.35Å; P125-L128 PolarHBondContact O-N 2.93Å; V126-L128 PolarHBondContact O-N 2.94Å; L128-N130 VanDerWaalsContact C-N 3.27Å; L128-N130 PolarHBondContact O-N 2.76Å; L128-V131 PolarHBondContact O-N 2.72Å; L128-V131 VanDerWaalsContact O-N 3.09Å; L128-Y133 HydrophobicContact CD2-CD1 4.11Å; L128-Y133 HydrophobicContact CD2-CG 4.29Å
129E53.6Low58.8Low153 Ų15393.8 Ų93.872%0.71551%0.509SS*.Hα-helixtrans-64.1-36.1175.8-165.2167.1-172.700110.7V131 G132E129-V131 PolarHBondContact O-N 2.66Å; E129-G132 PolarHBondContact O-N 3.42Å; E129-G132 VanDerWaalsContact O-N 3.12Å
130N53.9Low59.6Low136 Ų13686.6 Ų86.673%0.72747%0.472SS*.THydrogen-bonded Turntrans-68.1-16.5174.2-61.8-24.7000113.9L128 G132L128-N130 VanDerWaalsContact C-N 3.27Å; L128-N130 PolarHBondContact O-N 2.76Å; N130-G132 VanDerWaalsContact C-N 3.31Å
131V63.4Low60.3Low34 Ų3488.8 Ų88.821%0.20648%0.479CS..THydrogen-bonded Turntrans-89.90.9177.1-178.40000111.1L12 K127 L128 E129 Y133L12-V131 HydrophobicContact CD1-CG2 4.21Å; K127-V131 WeakPolarHBondContact O-CG2 2.92Å; L128-V131 PolarHBondContact O-N 2.72Å; L128-V131 VanDerWaalsContact O-N 3.09Å; E129-V131 PolarHBondContact O-N 2.66Å; V131-Y133 VanDerWaalsContact C-N 3.32Å; V131-Y133 PolarHBondContact O-N 2.76Å
132G56.8Low60.8Low68 Ų6884 Ų8470%0.70146%0.459SS*.THydrogen-bonded Turntrans69.829.1177.700000113.1E129 N130E129-G132 PolarHBondContact O-N 3.42Å; E129-G132 VanDerWaalsContact O-N 3.12Å; N130-G132 VanDerWaalsContact C-N 3.31Å
133Y64.8Low61Low66 Ų6685.5 Ų85.526%0.25947%0.465SS..  trans-77.4125.9176.5-177.7-98.8000110.6M1 L128 V131 V135M1-Y133 HydrophobicContact SD-CD2 4.13Å; L128-Y133 HydrophobicContact CD2-CD1 4.11Å; L128-Y133 HydrophobicContact CD2-CG 4.29Å; V131-Y133 VanDerWaalsContact C-N 3.32Å; V131-Y133 PolarHBondContact O-N 2.76Å; Y133-V135 HydrophobicContact CD1-CG2 4.28Å; Y133-V135 HydrophobicContact CE1-CG2 4.17Å
134E63.1Low61.1Low123 Ų12386.8 Ų86.858%0.57547%0.473SS*.  trans-94.4120.1174.7-164.1-177.3175.200109.3K136E134-K136 HydrophobicContact CG-CD 4.29Å; E134-K136 HydrophobicContact CG-CG 4.16Å; E134-K136 PolarHBondContact O-N 3.49Å; E134-K136 VanDerWaalsContact O-N 3.09Å; E134-K136 WeakPolarHBondContact OE1-CE 3.4Å; E134-K136 IonicContact OE1-NZ 2.95Å; E134-K136 PolarHBondContact OE1-NZ 2.68Å; E134-K136 WeakPolarHBondContact OE2-CE 2.94Å; E134-K136 IonicContact OE2-NZ 3.49Å; E134-K136 PolarHBondContact OE2-NZ 2.67Å
135V67.1Low61.3Low109 Ų10987.5 Ų87.566%0.66148%0.477SS*.  trans-71.9104.8173.7-176.80000107.8I124 Y133I124-V135 HydrophobicContact CD1-CG2 4.42Å; Y133-V135 HydrophobicContact CD1-CG2 4.28Å; Y133-V135 HydrophobicContact CE1-CG2 4.17Å
136K72.8Confident61.9Low132 Ų13295 Ų9557%0.57450%0.5SS*.  trans-125.7136.6173.4-80.2175160.9150.70108.5E134E134-K136 HydrophobicContact CG-CD 4.29Å; E134-K136 HydrophobicContact CG-CG 4.16Å; E134-K136 PolarHBondContact O-N 3.49Å; E134-K136 VanDerWaalsContact O-N 3.09Å; E134-K136 WeakPolarHBondContact OE1-CE 3.4Å; E134-K136 IonicContact OE1-NZ 2.95Å; E134-K136 PolarHBondContact OE1-NZ 2.68Å; E134-K136 WeakPolarHBondContact OE2-CE 2.94Å; E134-K136 IonicContact OE2-NZ 3.49Å; E134-K136 PolarHBondContact OE2-NZ 2.67Å
137D76.3Confident62.8Low129 Ų12996.7 Ų96.769%0.6950%0.504SS*.  trans-57.3143.9165.7-66.9-39.5000108.9A139D137-A139 PolarHBondContact O-N 3.19Å
138V77.3Confident64Low16 Ų1696.8 Ų96.810%0.09751%0.512CS..  trans-70.285172-173.10000108.1M25 A38 F41 N42 A55 T140M25-V138 HydrophobicContact CE-CB 4.14Å; M25-V138 HydrophobicContact CE-CG1 3.64Å; M25-V138 HydrophobicContact CE-CG2 3.94Å; A38-V138 HydrophobicContact CB-CB 4.25Å; A38-V138 HydrophobicContact CB-CG1 3.99Å; A38-V138 WeakPolarHBondContact CB-O 3.11Å; F41-V138 HydrophobicContact CD1-CG2 4.06Å; F41-V138 HydrophobicContact CE1-CG2 4.49Å; N42-V138 PolarHBondContact ND2-N 2.85Å; N42-V138 WeakPolarHBondContact OD1-CB 3.42Å; N42-V138 WeakPolarHBondContact OD1-CG2 3.41Å; N42-V138 PolarHBondContact OD1-N 3.33Å; A55-V138 HydrophobicContact CB-CG2 3.36Å; V138-T140 HydrophobicContact CG1-CG2 4.15Å; V138-T140 PolarHBondContact O-N 3.29Å
139A69.6Low64.8Low83 Ų83101.4 Ų101.469%0.68654%0.536SS*.  trans-87.487.4167.700000107.4D137 E141D137-A139 PolarHBondContact O-N 3.19Å; A139-E141 VanDerWaalsContact C-N 3.3Å; A139-E141 PolarHBondContact O-N 3.06Å; A139-E141 VanDerWaalsContact O-N 3.16Å
140T64.4Low66.2Low15 Ų1595.8 Ų95.89%0.09252%0.52CS..  trans-76.295.6157.747.30000105.8A35 V138 I142A35-T140 WeakPolarHBondContact CA-OG1 3.3Å; A35-T140 WeakPolarHBondContact CB-OG1 3.44Å; V138-T140 HydrophobicContact CG1-CG2 4.15Å; V138-T140 PolarHBondContact O-N 3.29Å; T140-I142 PolarHBondContact O-N 3.1Å
141E59.3Low67.9Low147 Ų14794.9 Ų94.969%0.68751%0.514SS*.  trans-56.5101.9160.3-74.5-178.6169.400105.9P29 A139 T143P29-E141 VanDerWaalsContact O-O 3.06Å; A139-E141 VanDerWaalsContact C-N 3.3Å; A139-E141 PolarHBondContact O-N 3.06Å; A139-E141 VanDerWaalsContact O-N 3.16Å; E141-T143 PolarHBondContact O-N 3.12Å
142I59Low68.9Low89 Ų89101 Ų10146%0.45654%0.535SS..  trans-58.198.8149.1-50.8175.9000100.7A35 T140 E144A35-I142 HydrophobicContact CB-CD1 3.53Å; A35-I142 HydrophobicContact CB-CG1 3.16Å; T140-I142 PolarHBondContact O-N 3.1Å; I142-E144 HydrophobicContact CG2-CG 3.89Å; I142-E144 PolarHBondContact O-N 2.95Å
143T53.7Low70.5Confident82 Ų82102.1 Ų102.150%0.50352%0.524SS..  trans-63.779.6156.113.70000102.9E141 N145E141-T143 PolarHBondContact O-N 3.12Å; T143-N145 WeakPolarHBondContact CB-OD1 3.25Å; T143-N145 WeakPolarHBondContact CG2-OD1 3.19Å; T143-N145 PolarHBondContact O-N 3.02Å
144E55.9Low71.9Confident131 Ų131104.7 Ų104.761%0.61254%0.536SS*.  trans-59.173.2145.7-81.1-153.7168.400103.2I142 R146I142-E144 HydrophobicContact CG2-CG 3.89Å; I142-E144 PolarHBondContact O-N 2.95Å; E144-R146 HydrophobicContact CB-CG 4.48Å; E144-R146 PolarHBondContact O-N 3.32Å; E144-R146 IonicContact OE2-NE 2.85Å
145N60.4Low73.4Confident77 Ų77101.1 Ų101.141%0.41253%0.528SS..  trans-70.276.5164.5-78.3-7.4000102.9T143 L147 V148 N149T143-N145 WeakPolarHBondContact CB-OD1 3.25Å; T143-N145 WeakPolarHBondContact CG2-OD1 3.19Å; T143-N145 PolarHBondContact O-N 3.02Å; N145-L147 CarbonylContact O-C 3.55Å; N145-L147 PolarHBondContact O-N 3.13Å; N145-V148 HydrophobicContact CB-CB 3.61Å; N145-V148 HydrophobicContact CB-CG2 3.54Å; N145-V148 WeakPolarHBondContact O-CA 3.28Å; N145-V148 PolarHBondContact O-N 3.44Å; N145-N149 PolarHBondContact O-N 2.95Å
146R64.9Low74.6Confident199 Ų19998.5 Ų98.575%0.75151%0.514SS*.Hα-helixtrans-47.1-29.8166.3-73.5-173.5171.7-173.4-5109.4E144 G150E144-R146 HydrophobicContact CB-CG 4.48Å; E144-R146 PolarHBondContact O-N 3.32Å; E144-R146 IonicContact OE2-NE 2.85Å; R146-G150 WeakPolarHBondContact O-CA 3.34Å; R146-G150 PolarHBondContact O-N 3.3Å
147L71.8Confident75.7Confident151 Ų15197.5 Ų97.579%0.79151%0.514SS*.Hα-helixtrans-66-46.9170.6-142.1108.6000114.1N145 G150 L151N145-L147 CarbonylContact O-C 3.55Å; N145-L147 PolarHBondContact O-N 3.13Å; L147-G150 PolarHBondContact O-N 3.4Å; L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.41Å; L147-L151 PolarHBondContact O-N 2.95Å
148V75.7Confident76.6Confident86 Ų8695.8 Ų95.852%0.52151%0.505SS..Hα-helixtrans-71.3-41.7178.4173.10000110.8N145 G150 L151 Y152N145-V148 HydrophobicContact CB-CB 3.61Å; N145-V148 HydrophobicContact CB-CG2 3.54Å; N145-V148 WeakPolarHBondContact O-CA 3.28Å; N145-V148 PolarHBondContact O-N 3.44Å; V148-G150 VanDerWaalsContact C-N 3.35Å; V148-L151 PolarHBondContact O-N 2.93Å; V148-Y152 WeakPolarHBondContact O-CB 3.46Å; V148-Y152 PolarHBondContact O-N 3.3Å
149N76.9Confident77.5Confident103 Ų10399.5 Ų99.555%0.55153%0.527SS*.Hα-helixtrans-64.6-42174.1-164.912.8000110.9N145 Y152 I153N145-N149 PolarHBondContact O-N 2.95Å; N149-Y152 PolarHBondContact O-N 3.45Å; N149-I153 VanDerWaalsContact O-CG1 3.28Å; N149-I153 WeakPolarHBondContact O-CG1 3.17Å; N149-I153 PolarHBondContact O-N 2.89Å
150G83.9Confident78.6Confident35 Ų3599.3 Ų99.336%0.36152%0.52SS..Hα-helixtrans-61.6-42.2172.800000113R146 L147 V148 Y152 I153 F154R146-G150 WeakPolarHBondContact O-CA 3.34Å; R146-G150 PolarHBondContact O-N 3.3Å; L147-G150 PolarHBondContact O-N 3.4Å; V148-G150 VanDerWaalsContact C-N 3.35Å; G150-Y152 VanDerWaalsContact C-N 3.34Å; G150-I153 PolarHBondContact O-N 3.3Å; G150-F154 WeakPolarHBondContact O-CB 3.37Å; G150-F154 PolarHBondContact O-N 2.79Å
151L88.4Confident80Confident118 Ų118103.5 Ų103.562%0.61854%0.541SS*.Hα-helixtrans-65-38.9176.2-171.670.1000111.5L147 V148 F154 A155L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.41Å; L147-L151 PolarHBondContact O-N 2.95Å; V148-L151 PolarHBondContact O-N 2.93Å; L151-F154 PolarHBondContact O-N 2.79Å; L151-A155 WeakPolarHBondContact O-CB 3.35Å; L151-A155 PolarHBondContact O-N 3.49Å
152Y85.8Confident81.5Confident162 Ų16299.3 Ų99.364%0.63553%0.532SS*.Hα-helixtrans-65-46.3175.8-172.3-99.8000111.6V148 N149 G150 F154 A155 C156V148-Y152 WeakPolarHBondContact O-CB 3.46Å; V148-Y152 PolarHBondContact O-N 3.3Å; N149-Y152 PolarHBondContact O-N 3.45Å; G150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-F154 VanDerWaalsContact C-N 3.33Å; Y152-F154 PolarHBondContact O-N 2.72Å; Y152-A155 PolarHBondContact O-N 2.61Å; Y152-C156 PolarHBondContact O-N 3.42Å; Y152-C156 PolarHBondContact O-SG 2.78Å
153I90.3Very high82.8Confident91 Ų9198.6 Ų98.647%0.46753%0.532SS..Hα-helixtrans-60-44.8174.8-67.1165.5000110.5N149 G150 C156 L157N149-I153 VanDerWaalsContact O-CG1 3.28Å; N149-I153 WeakPolarHBondContact O-CG1 3.17Å; N149-I153 PolarHBondContact O-N 2.89Å; G150-I153 PolarHBondContact O-N 3.3Å; I153-C156 PolarHBondContact O-N 2.89Å; I153-L157 HydrophobicContact CG2-CD1 4.34Å; I153-L157 WeakPolarHBondContact O-CG 3.23Å; I153-L157 PolarHBondContact O-N 3.33Å
154F94.2Very high84.5Confident120 Ų120101.3 Ų101.353%0.52654%0.537SS..Hα-helixtrans-63-43177.9-174.7-102.5000112.2G150 L151 Y152 C156 L157 L158G150-F154 WeakPolarHBondContact O-CB 3.37Å; G150-F154 PolarHBondContact O-N 2.79Å; L151-F154 PolarHBondContact O-N 2.79Å; Y152-F154 VanDerWaalsContact C-N 3.33Å; Y152-F154 PolarHBondContact O-N 2.72Å; F154-C156 PolarHBondContact O-N 2.86Å; F154-L157 PolarHBondContact O-N 3.01Å; F154-L158 HydrophobicContact CD1-CD1 3.85Å; F154-L158 HydrophobicContact CD1-CG 4.29Å; F154-L158 HydrophobicContact CE1-CD1 3.39Å; F154-L158 HydrophobicContact CE1-CD2 4.5Å; F154-L158 HydrophobicContact CE1-CG 3.96Å; F154-L158 HydrophobicContact CZ-CD1 4.01Å; F154-L158 HydrophobicContact CZ-CD2 4.3Å; F154-L158 HydrophobicContact CZ-CG 4.18Å; F154-L158 WeakPolarHBondContact O-CG 3.28Å; F154-L158 PolarHBondContact O-N 3.2Å
155A93.4Very high85.9Confident48 Ų4899.6 Ų99.640%0.39753%0.531SS..Hα-helixtrans-61.4-43.2174.800000111.7L151 Y152 L157 L158 V159L151-A155 WeakPolarHBondContact O-CB 3.35Å; L151-A155 PolarHBondContact O-N 3.49Å; Y152-A155 PolarHBondContact O-N 2.61Å; A155-L157 PolarHBondContact O-N 3.28Å; A155-L158 PolarHBondContact O-N 3.46Å; A155-V159 WeakPolarHBondContact O-CG2 3.45Å; A155-V159 PolarHBondContact O-N 3.32Å
156C92.6Very high86.9Confident54 Ų54103.3 Ų103.337%0.36554%0.54SS..Hα-helixtrans-60.3-44.1174.2-74.50000112.1Y152 I153 F154 L158 V159 C160Y152-C156 PolarHBondContact O-N 3.42Å; Y152-C156 PolarHBondContact O-SG 2.78Å; I153-C156 PolarHBondContact O-N 2.89Å; F154-C156 PolarHBondContact O-N 2.86Å; C156-L158 PolarHBondContact O-N 2.93Å; C156-V159 PolarHBondContact O-N 2.99Å; C156-C160 WeakPolarHBondContact O-CB 3.34Å; C156-C160 PolarHBondContact O-N 2.95Å; C156-C160 PolarHBondContact O-SG 2.86Å
157L95.1Very high87.6Confident112 Ų11299 Ų9959%0.58653%0.528SS*.Hα-helixtrans-63.2-41.2177.3-71.7176.8000112.3I153 F154 A155 C160 L161I153-L157 HydrophobicContact CG2-CD1 4.34Å; I153-L157 WeakPolarHBondContact O-CG 3.23Å; I153-L157 PolarHBondContact O-N 3.33Å; F154-L157 PolarHBondContact O-N 3.01Å; A155-L157 PolarHBondContact O-N 3.28Å; L157-C160 PolarHBondContact O-N 2.98Å; L157-L161 WeakPolarHBondContact O-CB 3.35Å; L157-L161 PolarHBondContact O-N 3.35Å
158L95.6Very high87.8Confident92 Ų9294.3 Ų94.348%0.48251%0.506SS..Hα-helixtrans-63.2-42.7175.8-75.6-179.9000112.3F154 A155 C156 L161 A162F154-L158 HydrophobicContact CD1-CD1 3.85Å; F154-L158 HydrophobicContact CD1-CG 4.29Å; F154-L158 HydrophobicContact CE1-CD1 3.39Å; F154-L158 HydrophobicContact CE1-CD2 4.5Å; F154-L158 HydrophobicContact CE1-CG 3.96Å; F154-L158 HydrophobicContact CZ-CD1 4.01Å; F154-L158 HydrophobicContact CZ-CD2 4.3Å; F154-L158 HydrophobicContact CZ-CG 4.18Å; F154-L158 WeakPolarHBondContact O-CG 3.28Å; F154-L158 PolarHBondContact O-N 3.2Å; A155-L158 PolarHBondContact O-N 3.46Å; C156-L158 PolarHBondContact O-N 2.93Å; L158-L161 PolarHBondContact O-N 2.95Å; L158-A162 VanDerWaalsContact O-CB 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.33Å; L158-A162 PolarHBondContact O-N 3.49Å
159V95.8Very high87.7Confident95 Ų9598.4 Ų98.458%0.57651%0.512SS*.Hα-helixtrans-63.9-43.9176.6172.10000110.7A155 C156 A162 T163A155-V159 WeakPolarHBondContact O-CG2 3.45Å; A155-V159 PolarHBondContact O-N 3.32Å; C156-V159 PolarHBondContact O-N 2.99Å; V159-A162 PolarHBondContact O-N 2.72Å; V159-T163 PolarHBondContact O-N 3.39Å; V159-T163 PolarHBondContact O-OG1 3.34Å
160C93.4Very high87.2Confident79 Ų7997.3 Ų97.353%0.53450%0.504SS..Hα-helixtrans-62.6-41.3175.4-720000112.2C156 L157 T163 F164C156-C160 WeakPolarHBondContact O-CB 3.34Å; C156-C160 PolarHBondContact O-N 2.95Å; C156-C160 PolarHBondContact O-SG 2.86Å; L157-C160 PolarHBondContact O-N 2.98Å; C160-T163 WeakPolarHBondContact CA-OG1 3.48Å; C160-T163 PolarHBondContact O-OG1 3.43Å; C160-F164 VanDerWaalsContact O-CB 3.28Å; C160-F164 WeakPolarHBondContact O-CB 3.48Å; C160-F164 PolarHBondContact O-N 3.34Å
161L93.2Very high86.3Confident103 Ų103105.5 Ų105.554%0.53952%0.523SS..Hα-helixtrans-67.4-43.7177.8-166.2101.4000111.3L157 L158 F164 I165L157-L161 WeakPolarHBondContact O-CB 3.35Å; L157-L161 PolarHBondContact O-N 3.35Å; L158-L161 PolarHBondContact O-N 2.95Å; L161-F164 PolarHBondContact O-N 3.01Å; L161-I165 HydrophobicContact CD2-CD1 3.73Å; L161-I165 HydrophobicContact CG-CD1 3.95Å; L161-I165 WeakPolarHBondContact O-CB 3.42Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.27Å
162A90.9Very high84.9Confident59 Ų59104.3 Ų104.349%0.48852%0.517SS..Hα-helixtrans-64.1-42.1178.800000112L158 V159 I165 Y166L158-A162 VanDerWaalsContact O-CB 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.33Å; L158-A162 PolarHBondContact O-N 3.49Å; V159-A162 PolarHBondContact O-N 2.72Å; A162-I165 PolarHBondContact O-N 3.5Å; A162-Y166 WeakPolarHBondContact O-CB 3.2Å; A162-Y166 PolarHBondContact O-N 2.86Å
163T88Confident83.4Confident74 Ų74100.5 Ų100.545%0.45451%0.507SS..Hα-helixtrans-66.9-39.2174.440.50000112.1V159 C160 Y166 H167V159-T163 PolarHBondContact O-N 3.39Å; V159-T163 PolarHBondContact O-OG1 3.34Å; C160-T163 WeakPolarHBondContact CA-OG1 3.48Å; C160-T163 PolarHBondContact O-OG1 3.43Å; T163-Y166 PolarHBondContact O-N 3.36Å; T163-H167 PolarHBondContact O-N 3.11Å
164F88.1Confident81.6Confident138 Ų138102 Ų10261%0.60552%0.516SS*.Hα-helixtrans-61.4-47.9172.5-177.7-101.8000111.6C160 L161 Y166 H167 V168C160-F164 VanDerWaalsContact O-CB 3.28Å; C160-F164 WeakPolarHBondContact O-CB 3.48Å; C160-F164 PolarHBondContact O-N 3.34Å; L161-F164 PolarHBondContact O-N 3.01Å; F164-Y166 VanDerWaalsContact C-N 3.31Å; F164-Y166 PolarHBondContact O-N 3.49Å; F164-H167 PolarHBondContact O-N 3.38Å; F164-V168 HydrophobicContact CD1-CG2 4Å; F164-V168 HydrophobicContact CD2-CG2 4.3Å; F164-V168 HydrophobicContact CE1-CG2 3.68Å; F164-V168 HydrophobicContact CE2-CG2 4Å; F164-V168 HydrophobicContact CG-CG2 4.3Å; F164-V168 HydrophobicContact CZ-CG2 3.68Å; F164-V168 VanDerWaalsContact O-CB 3.31Å; F164-V168 WeakPolarHBondContact O-CB 3.18Å; F164-V168 WeakPolarHBondContact O-CG2 3.21Å; F164-V168 PolarHBondContact O-N 3.46Å
165I86.1Confident79.9Confident95 Ų9598 Ų9849%0.48750%0.502SS..Hα-helixtrans-61.5-40.2176.2-68.3164.8000110.9L161 A162 V168 R169L161-I165 HydrophobicContact CD2-CD1 3.73Å; L161-I165 HydrophobicContact CG-CD1 3.95Å; L161-I165 WeakPolarHBondContact O-CB 3.42Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.27Å; A162-I165 PolarHBondContact O-N 3.5Å; I165-V168 PolarHBondContact O-N 2.89Å; I165-R169 WeakPolarHBondContact O-CB 3.44Å; I165-R169 PolarHBondContact O-N 3.36Å
166Y81.5Confident78.2Confident156 Ų15698.8 Ų98.861%0.61251%0.508SS*.Hα-helixtrans-60.8-48.9176.5-175.3-91.4000111.4A162 T163 F164 R169 E170A162-Y166 WeakPolarHBondContact O-CB 3.2Å; A162-Y166 PolarHBondContact O-N 2.86Å; T163-Y166 PolarHBondContact O-N 3.36Å; F164-Y166 VanDerWaalsContact C-N 3.31Å; F164-Y166 PolarHBondContact O-N 3.49Å; Y166-R169 PolarHBondContact O-N 3.34Å; Y166-E170 WeakPolarHBondContact O-CB 3.28Å; Y166-E170 PolarHBondContact O-N 2.81Å
167H78.1Confident76.7Confident107 Ų107100.3 Ų100.350%0.49552%0.518SS..Hα-helixtrans-69.1-35177.7-82.7-50000113.5T163 F164 E170 R171T163-H167 PolarHBondContact O-N 3.11Å; F164-H167 PolarHBondContact O-N 3.38Å; H167-E170 IonicContact CE1-OE2 3.95Å; H167-E170 IonicContact ND1-OE2 3.34Å; H167-E170 PolarHBondContact ND1-OE2 2.95Å; H167-E170 PolarHBondContact O-N 2.89Å; H167-R171 WeakPolarHBondContact O-CB 3.32Å; H167-R171 WeakPolarHBondContact O-CG 3.46Å; H167-R171 PolarHBondContact O-N 3.3Å
168V77.8Confident74.9Confident53 Ų5397 Ų9732%0.32150%0.502SS..Hα-helixtrans-66.8-42.2174.31690000110.1F164 I165 R171 I172F164-V168 HydrophobicContact CD1-CG2 4Å; F164-V168 HydrophobicContact CD2-CG2 4.3Å; F164-V168 HydrophobicContact CE1-CG2 3.68Å; F164-V168 HydrophobicContact CE2-CG2 4Å; F164-V168 HydrophobicContact CG-CG2 4.3Å; F164-V168 HydrophobicContact CZ-CG2 3.68Å; F164-V168 VanDerWaalsContact O-CB 3.31Å; F164-V168 WeakPolarHBondContact O-CB 3.18Å; F164-V168 WeakPolarHBondContact O-CG2 3.21Å; F164-V168 PolarHBondContact O-N 3.46Å; I165-V168 PolarHBondContact O-N 2.89Å; V168-R171 PolarHBondContact O-N 2.81Å; V168-I172 HydrophobicContact CG1-CD1 3.4Å; V168-I172 VanDerWaalsContact CG1-CD1 3.4Å; V168-I172 HydrophobicContact CG1-CG1 4.12Å; V168-I172 VanDerWaalsContact O-CB 3.28Å; V168-I172 WeakPolarHBondContact O-CB 3.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 2.81Å
169R73.8Confident73Confident172 Ų17295.5 Ų95.565%0.64949%0.494SS*.Hα-helixtrans-62.9-43.5174.1-178.4177.1175.2179.2-0.8111.6I165 Y166 L173I165-R169 WeakPolarHBondContact O-CB 3.44Å; I165-R169 PolarHBondContact O-N 3.36Å; Y166-R169 PolarHBondContact O-N 3.34Å; R169-L173 HydrophobicContact CG-CD1 3.63Å; R169-L173 HydrophobicContact CG-CG 4.29Å; R169-L173 VanDerWaalsContact O-CB 3.29Å; R169-L173 WeakPolarHBondContact O-CB 3.46Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.33Å; R169-L173 PolarHBondContact O-N 3.41Å
170E65Low71.2Confident81 Ų8197 Ų9738%0.37950%0.495SS..Hα-helixtrans-61.3-45.9175.9-169.9175.1-160.500111.1Y166 H167 L174Y166-E170 WeakPolarHBondContact O-CB 3.28Å; Y166-E170 PolarHBondContact O-N 2.81Å; H167-E170 IonicContact CE1-OE2 3.95Å; H167-E170 IonicContact ND1-OE2 3.34Å; H167-E170 PolarHBondContact ND1-OE2 2.95Å; H167-E170 PolarHBondContact O-N 2.89Å; E170-L174 HydrophobicContact CG-CD1 4.06Å; E170-L174 VanDerWaalsContact O-CB 3.3Å; E170-L174 WeakPolarHBondContact O-CB 3.3Å; E170-L174 WeakPolarHBondContact O-CD1 3.38Å; E170-L174 WeakPolarHBondContact O-CG 3.41Å; E170-L174 PolarHBondContact O-N 3.34Å
171R64.4Low69.7Low206 Ų206100.8 Ų100.878%0.77750%0.498SS*.Hα-helixtrans-73-33.9178.2-74.1-160.9-175.9-149.74.6114.7H167 V168 S175H167-R171 WeakPolarHBondContact O-CB 3.32Å; H167-R171 WeakPolarHBondContact O-CG 3.46Å; H167-R171 PolarHBondContact O-N 3.3Å; V168-R171 PolarHBondContact O-N 2.81Å; R171-S175 WeakPolarHBondContact O-CB 3.23Å; R171-S175 PolarHBondContact O-N 3.43Å; R171-S175 VanDerWaalsContact O-N 3.11Å
172I60Low68Low94 Ų94101.3 Ų101.348%0.48250%0.496SS..Hα-helixtrans-74.2-42.9178.4-70.1174.5000110.7V168 L174 S175V168-I172 HydrophobicContact CG1-CD1 3.4Å; V168-I172 VanDerWaalsContact CG1-CD1 3.4Å; V168-I172 HydrophobicContact CG1-CG1 4.12Å; V168-I172 VanDerWaalsContact O-CB 3.28Å; V168-I172 WeakPolarHBondContact O-CB 3.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 2.81Å; I172-L174 VanDerWaalsContact C-N 3.31Å; I172-L174 PolarHBondContact O-N 2.85Å; I172-S175 WeakPolarHBondContact O-CB 3.48Å; I172-S175 PolarHBondContact O-N 2.83Å; I172-S175 VanDerWaalsContact O-N 3.17Å; I172-S175 PolarHBondContact O-OG 2.78Å
173L54.3Low66.2Low82 Ų82104.7 Ų104.743%0.42950%0.502SS..Hα-helixtrans-70.3-26.7178.1-68.8174.3000112.9R169R169-L173 HydrophobicContact CG-CD1 3.63Å; R169-L173 HydrophobicContact CG-CG 4.29Å; R169-L173 VanDerWaalsContact O-CB 3.29Å; R169-L173 WeakPolarHBondContact O-CB 3.46Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.33Å; R169-L173 PolarHBondContact O-N 3.41Å
174L52.5Low64.9Low123 Ų123105.8 Ų105.864%0.64451%0.513SS*.THydrogen-bonded Turntrans-92.44.4172.3-72.3161.6000113.4E170 I172 A176E170-L174 HydrophobicContact CG-CD1 4.06Å; E170-L174 VanDerWaalsContact O-CB 3.3Å; E170-L174 WeakPolarHBondContact O-CB 3.3Å; E170-L174 WeakPolarHBondContact O-CD1 3.38Å; E170-L174 WeakPolarHBondContact O-CG 3.41Å; E170-L174 PolarHBondContact O-N 3.34Å; I172-L174 VanDerWaalsContact C-N 3.31Å; I172-L174 PolarHBondContact O-N 2.85Å; L174-A176 PolarHBondContact O-N 3.43Å
175S58.9Low63.5Low35 Ų35106.5 Ų106.525%0.24552%0.516CS..SBendtrans-72.612917771.70000110.1R171 I172 P177 V178 L179R171-S175 WeakPolarHBondContact O-CB 3.23Å; R171-S175 PolarHBondContact O-N 3.43Å; R171-S175 VanDerWaalsContact O-N 3.11Å; I172-S175 WeakPolarHBondContact O-CB 3.48Å; I172-S175 PolarHBondContact O-N 2.83Å; I172-S175 VanDerWaalsContact O-N 3.17Å; I172-S175 PolarHBondContact O-OG 2.78Å; S175-P177 VanDerWaalsContact C-N 3.27Å; S175-P177 VanDerWaalsContact O-N 3.11Å; S175-V178 PolarHBondContact O-N 3.47Å; S175-V178 WeakPolarHBondContact OG-CG2 3.39Å; S175-L179 PolarHBondContact O-N 2.88Å
176A56.4Low61.9Low64 Ų64105 Ų10553%0.52951%0.513SS..Hα-helixtrans-43.5-40.1177.500000115.3L174 V178 L179 Q180L174-A176 PolarHBondContact O-N 3.43Å; A176-V178 PolarHBondContact O-N 3.44Å; A176-L179 PolarHBondContact O-N 2.91Å; A176-Q180 WeakPolarHBondContact O-CB 3.29Å; A176-Q180 WeakPolarHBondContact O-CG 3.3Å; A176-Q180 PolarHBondContact O-N 3.48Å
177P60.9Low60.5Low86 Ų86101.6 Ų101.656%0.55853%0.525SS*.Hα-helixtrans-68.5-30.5178.923.8-34.4000114.5S175 W181S175-P177 VanDerWaalsContact C-N 3.27Å; S175-P177 VanDerWaalsContact O-N 3.11Å; P177-W181 WeakPolarHBondContact O-CB 3.38Å; P177-W181 PolarHBondContact O-N 3.17Å
178V58.8Low59.5Low44 Ų4498.5 Ų98.527%0.26752%0.522SS..Hα-helixtrans-75.6-39.1177.4175.40000110.6S175 A176 W181 F182S175-V178 PolarHBondContact O-N 3.47Å; S175-V178 WeakPolarHBondContact OG-CG2 3.39Å; A176-V178 PolarHBondContact O-N 3.44Å; V178-W181 PolarHBondContact O-N 3.46Å; V178-F182 HydrophobicContact CG1-CD2 4.17Å; V178-F182 HydrophobicContact CG1-CE2 4.38Å; V178-F182 WeakPolarHBondContact O-CD2 3.45Å; V178-F182 PolarHBondContact O-N 3.18Å
179L55.5Low58.1Low60 Ų60102.5 Ų102.531%0.31455%0.549SS..Hα-helixtrans-63.9-42.4172.4-80.5158.2000111.9S175 A176 F182 Q183 Y195S175-L179 PolarHBondContact O-N 2.88Å; A176-L179 PolarHBondContact O-N 2.91Å; L179-F182 PolarHBondContact O-N 2.97Å; L179-Q183 WeakPolarHBondContact O-CB 3.24Å; L179-Q183 WeakPolarHBondContact O-CG 3.33Å; L179-Q183 PolarHBondContact O-N 3Å; L179-Y195 WeakPolarHBondContact CD2-OH 3.43Å
180Q57.8Low57Low127 Ų127101 Ų10159%0.59355%0.554SS**Hα-helixtrans-65.2-36.7174.5-82178.3-29.200112.5A176 Q183 S184A176-Q180 WeakPolarHBondContact O-CB 3.29Å; A176-Q180 WeakPolarHBondContact O-CG 3.3Å; A176-Q180 PolarHBondContact O-N 3.48Å; Q180-Q183 PolarHBondContact O-N 2.69Å; Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.48Å; Q180-S184 PolarHBondContact O-N 3.3Å
181W62.7Low56.3Low157 Ų157100 Ų10060%0.59556%0.555SS**Hα-helixtrans-65.6-41.9174.1-174.989.8000112.1P177 V178 S184 K185P177-W181 WeakPolarHBondContact O-CB 3.38Å; P177-W181 PolarHBondContact O-N 3.17Å; V178-W181 PolarHBondContact O-N 3.46Å; W181-S184 PolarHBondContact O-N 3.34Å; W181-K185 HydrophobicContact CZ2-CG 4.38Å; W181-K185 PolarHBondContact O-N 2.99Å; W181-K185 VanDerWaalsContact O-N 3.16Å
182F56Low55.6Low114 Ų11497.9 Ų97.950%0.555%0.554SS.*Hα-helixtrans-64.7-43.4173.4-96-78.5000112.1V178 L179 S184 K185 C186V178-F182 HydrophobicContact CG1-CD2 4.17Å; V178-F182 HydrophobicContact CG1-CE2 4.38Å; V178-F182 WeakPolarHBondContact O-CD2 3.45Å; V178-F182 PolarHBondContact O-N 3.18Å; L179-F182 PolarHBondContact O-N 2.97Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 2.99Å; F182-K185 PolarHBondContact O-N 3.35Å; F182-C186 VanDerWaalsContact O-CB 3.32Å; F182-C186 WeakPolarHBondContact O-CB 3.49Å; F182-C186 PolarHBondContact O-N 3.26Å
183Q54.6Low55.1Low131 Ų13199 Ų9961%0.61256%0.561SS**Hα-helixtrans-63.4-36174.7-76.7178.3-45.700112.4L179 Q180 K185L179-Q183 WeakPolarHBondContact O-CB 3.24Å; L179-Q183 WeakPolarHBondContact O-CG 3.33Å; L179-Q183 PolarHBondContact O-N 3Å; Q180-Q183 PolarHBondContact O-N 2.69Å; Q183-K185 VanDerWaalsContact C-N 3.29Å; Q183-K185 PolarHBondContact O-N 2.86Å
184S60.8Low55.1Low97 Ų97100.3 Ų100.368%0.67857%0.567SS**Hα-helixtrans-67.6-27.3176.3167.30000113.2Q180 W181 F182Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.48Å; Q180-S184 PolarHBondContact O-N 3.3Å; W181-S184 PolarHBondContact O-N 3.34Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 2.99Å
185K58.1Low55Low152 Ų152100.3 Ų100.366%0.66156%0.559SS**Hα-helixtrans-100.2-22.5-177.6-76.4-71.4-176.1-178.30114W181 F182 Q183 G187W181-K185 HydrophobicContact CZ2-CG 4.38Å; W181-K185 PolarHBondContact O-N 2.99Å; W181-K185 VanDerWaalsContact O-N 3.16Å; F182-K185 PolarHBondContact O-N 3.35Å; Q183-K185 VanDerWaalsContact C-N 3.29Å; Q183-K185 PolarHBondContact O-N 2.86Å; K185-G187 PolarHBondContact O-N 2.88Å
186C52.3Low54.5Low63 Ų63105.6 Ų105.643%0.42658%0.578SS.*  trans-100.568.6179.9-67.50000111.8F182 G188F182-C186 VanDerWaalsContact O-CB 3.32Å; F182-C186 WeakPolarHBondContact O-CB 3.49Å; F182-C186 PolarHBondContact O-N 3.26Å; C186-G188 VanDerWaalsContact C-N 3.33Å; C186-G188 PolarHBondContact O-N 3.46Å
187G50.9Low54.3Low85 Ų85109 Ų10988%0.87659%0.587SS**  trans-88.656.6168.900000112.7K185K185-G187 PolarHBondContact O-N 2.88Å
188G58.5Low53.9Low42 Ų42112.1 Ų112.143%0.43359%0.592SS.*SBendtrans-162.1159.1-18000000114.4C186 L190C186-G188 VanDerWaalsContact C-N 3.33Å; C186-G188 PolarHBondContact O-N 3.46Å; G188-L190 PolarHBondContact O-N 3.02Å
189P48.6Very low53.4Low137 Ų137119.4 Ų119.489%0.8962%0.616SS**THydrogen-bonded Turntrans-71.412.8-164.429.1-35.8000116.2
190L49.4Very low53.1Low142 Ų142121.8 Ų121.874%0.74363%0.633SS**THydrogen-bonded Turntrans-93.813.4178.3-108.491.6000113.8G188G188-L190 PolarHBondContact O-N 3.02Å
191C51.2Low52.5Low58 Ų58119.7 Ų119.739%0.39264%0.637SS.*  trans-88.8-5.7-171-147.50000114.9
192E48.3Very low51.6Low162 Ų162115.2 Ų115.276%0.75763%0.633SS**Hα-helixtrans-77.1-28.6176.6-78.8-168136.900113.4
193D51.2Low51Low118 Ų118114.9 Ų114.963%0.63164%0.643SS**Hα-helixtrans-81.9-30.3-173.3-70.8-37.6000114.3
194I53.6Low51Low110 Ų110120.5 Ų120.556%0.56466%0.658SS**Hα-helixtrans-79.4-34.5-179.3-68.7168.7000111.2F196 L197 F198I194-F196 VanDerWaalsContact C-N 3.29Å; I194-F196 PolarHBondContact O-N 3.27Å; I194-L197 PolarHBondContact O-N 3.26Å; I194-F198 HydrophobicContact CG2-CD2 4.46Å; I194-F198 HydrophobicContact CG2-CE2 4.26Å; I194-F198 WeakPolarHBondContact O-CD2 3.42Å
195Y49.7Very low50.5Low122 Ų122123.2 Ų123.248%0.47867%0.665SS.*Hα-helixtrans-65-34.7174.6-104.6-89.5000112L179 L197 F198 Y199L179-Y195 WeakPolarHBondContact CD2-OH 3.43Å; Y195-L197 PolarHBondContact O-N 3.43Å; Y195-F198 PolarHBondContact O-N 3.49Å; Y195-Y199 PolarHBondContact O-N 3.45Å
196F49Very low50.3Low146 Ų146126.7 Ų126.764%0.6467%0.674SS**Hα-helixtrans-65.6-36.1177.6-117.2-90.8000113.1I194 F198 Y199 V200I194-F196 VanDerWaalsContact C-N 3.29Å; I194-F196 PolarHBondContact O-N 3.27Å; F196-F198 VanDerWaalsContact C-N 3.34Å; F196-F198 PolarHBondContact O-N 3.41Å; F196-Y199 PolarHBondContact O-N 3.38Å; F196-V200 HydrophobicContact CD1-CG2 3.66Å; F196-V200 HydrophobicContact CE1-CG2 4.06Å; F196-V200 WeakPolarHBondContact O-CG2 3.32Å; F196-V200 PolarHBondContact O-N 3.43Å
197L52.6Low50.2Low136 Ų136132.2 Ų132.271%0.71269%0.694SS**Hα-helixtrans-67.2-30.6178.8-105.2131.2000113.5I194 Y195I194-L197 PolarHBondContact O-N 3.26Å; Y195-L197 PolarHBondContact O-N 3.43Å
198F51.8Low50.8Low151 Ų151133.4 Ų133.466%0.66269%0.686SS**Hα-helixtrans-81.4-26.4174.1-75.8-79.3000113.2I194 Y195 F196I194-F198 HydrophobicContact CG2-CD2 4.46Å; I194-F198 HydrophobicContact CG2-CE2 4.26Å; I194-F198 WeakPolarHBondContact O-CD2 3.42Å; Y195-F198 PolarHBondContact O-N 3.49Å; F196-F198 VanDerWaalsContact C-N 3.34Å; F196-F198 PolarHBondContact O-N 3.41Å
199Y49Very low50.8Low197 Ų197136.9 Ų136.977%0.77370%0.701SS**Hα-helixtrans-87.2-31.2-177.9-122.3-94.4000114.1Y195 F196Y195-Y199 PolarHBondContact O-N 3.45Å; F196-Y199 PolarHBondContact O-N 3.38Å
200V48.9Very low51.6Low110 Ų110136.3 Ų136.367%0.66770%0.697SS**Hα-helixtrans-79.5-19.8-177.81760000113.1F196F196-V200 HydrophobicContact CD1-CG2 3.66Å; F196-V200 HydrophobicContact CE1-CG2 4.06Å; F196-V200 WeakPolarHBondContact O-CG2 3.32Å; F196-V200 PolarHBondContact O-N 3.43Å
201A45.9Very low52.6Low83 Ų83133.7 Ų133.769%0.68670%0.696SS**THydrogen-bonded Turntrans-93.55.217900000114.5
202A42.8Very low53.2Low63 Ų63137.1 Ų137.152%0.52172%0.717SS.*SBendtrans-77.7128170.800000109.8R204A202-R204 PolarHBondContact O-N 3.22Å
203P43Very low53.9Low108 Ų108138.4 Ų138.470%0.70172%0.723SS**  trans-59.9129.2178.221.7-30.2000110.5N205P203-N205 PolarHBondContact O-N 3.16Å
204R55Low54.7Low248 Ų248137.1 Ų137.194%0.93673%0.729SS**SBendtrans-59.717.6-177.4-114.4178.5-179.8152.1-0.7116.2A202A202-R204 PolarHBondContact O-N 3.22Å
205N49.5Very low55.1Low154 Ų154137.5 Ų137.582%0.82474%0.738SS**  trans-94.910.9-171.3-75.72.9000114.6P203P203-N205 PolarHBondContact O-N 3.16Å
206R54Low55.4Low225 Ų225137.6 Ų137.685%0.84975%0.754SS**  trans-89.1113.5170.2-65.7-173.2-173.41673.7108.8
207H51.8Low55.6Low180 Ų180139.8 Ų139.883%0.83377%0.767SS**PPolyproline II helixtrans-54.6141.8167.1-90.4-22.6000110
208P62.3Low55.6Low109 Ų109137.9 Ų137.971%0.70877%0.77SS**PPolyproline II helixtrans-60.3140176.324-30.9000109.8
209P59.9Low55.5Low115 Ų115135.2 Ų135.275%0.74778%0.776SS**PPolyproline II helixtrans-61.2144.1175.325.2-31.9000110
210P63.8Low55.5Low126 Ų126135 Ų13582%0.81878%0.782SS**PPolyproline II helixtrans-62.4145.2177.825.3-32.4000110.9
211A70.4Confident55.7Low86 Ų86137.7 Ų137.771%0.71179%0.792SS**PPolyproline II helixtrans-59146.3-178.700000111.7Q213A211-Q213 PolarHBondContact O-N 3.43Å
212P64.9Low56.6Low130 Ų130139 Ų13984%0.84479%0.793SS**PPolyproline II helixtrans-59.4130.7175-16.828.8000110.2
213Q63.8Low57.1Low190 Ų190141.8 Ų141.889%0.88881%0.806SS**PPolyproline II helixtrans-67.8136.8173.7-67.4-179.5-5.300109.5A211A211-Q213 PolarHBondContact O-N 3.43Å
214A66.9Low57.4Low90 Ų90144.6 Ų144.674%0.74482%0.815SS**PPolyproline II helixtrans-61145.217700000110.6
215P62Low57.3Low118 Ų118139 Ų13977%0.76681%0.808SS**PPolyproline II helixtrans-62.3145.4179.423.9-31.4000111.1
216P56.4Low57.4Low125 Ų125138.2 Ų138.281%0.81280%0.802SS**PPolyproline II helixtrans-63.9137.3-177.524.8-32000111.5A218P216-A218 PolarHBondContact O-N 3.36Å
217E53.6Low57Low192 Ų192136.4 Ų136.490%0.89780%0.803SS**PPolyproline II helixtrans-51.4126175.7-164.5162.3-169.900110.7A219E217-A219 PolarHBondContact O-N 2.91Å
218A50.9Low56.9Low96 Ų96135 Ų13579%0.79380%0.802SS**PPolyproline II helixtrans-62.8118.5-17900000109.6P216 E220P216-A218 PolarHBondContact O-N 3.36Å; A218-E220 PolarHBondContact O-N 3.47Å
219A50.3Low56Low95 Ų95142.7 Ų142.779%0.78583%0.828SS**PPolyproline II helixtrans-57.6124175.200000110.5E217 L221E217-A219 PolarHBondContact O-N 2.91Å; A219-L221 PolarHBondContact O-N 3.33Å
220E49.7Very low55.8Low193 Ų193144.1 Ų144.190%0.90283%0.832SS**PPolyproline II helixtrans-56.1123.4170.6-77.7175.8136.200110.2A218A218-E220 PolarHBondContact O-N 3.47Å
221L53.6Low55.4Low165 Ų165145 Ų14586%0.86483%0.833SS**PPolyproline II helixtrans-71127.3169-92.2122.8000109.5A219A219-L221 PolarHBondContact O-N 3.33Å
222P64.2Low54.6Low111 Ų111148.3 Ų148.372%0.72184%0.84SS**PPolyproline II helixtrans-68.8149.6170.827.8-32.4000111
223P54.2Low53.9Low121 Ų121149.4 Ų149.479%0.78684%0.839SS**PPolyproline II helixtrans-68.5140.3-17426.3-32.6000112.7V225P223-V225 PolarHBondContact O-N 2.91Å
224L47.7Very low53.3Low168 Ų168146.8 Ų146.888%0.8884%0.836SS**PPolyproline II helixtrans-52.9118.5172.7-85.9150.3000111.5
225V54.5Low52.4Low130 Ų130150.6 Ų150.679%0.78884%0.843SS**PPolyproline II helixtrans-86.5119.6163179.10000107.3P223P223-V225 PolarHBondContact O-N 2.91Å
226I50.5Low51.7Low138 Ų138152.9 Ų152.971%0.70885%0.848SS**PPolyproline II helixtrans-84.3116.6173.8-59168.1000106.6
227E44.8Very low51.4Low187 Ų187155.1 Ų155.187%0.87485%0.851SS**  trans-102.5109160.7-74.8-171.1151.300107.2
228D50.9Low51.2Low151 Ų151152 Ų15281%0.80785%0.847SS**  trans-121.7145.4163.1-83.3-40.5000108
229E43.2Very low51.2Low269 Ų269157.1 Ų157.1100%1.25785%0.852SS**  trans-47.20-177.7-149.5173.7135.500116.6

Retrieved 229 of 229 residues in 131.4 ms (Link to these results)

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