SM21_SCHMA Loading...

Antigen Sm21.7

AlphaFold DB , UniProt , Accession P32070, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SM21.7, Length 184 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
1M55.4Low87Confident206 Ų20654.4 Ų54.4100%1.01528%0.283SS*.  0120.70-179.3-177.5-71.400105.5S3M1-S3 PolarHBondContact O-N 3.17Å
2D72.8Confident87.7Confident56 Ų5649.8 Ų49.830%0.29926%0.259SS..  trans-67.4130-170.8-45.8-33.6000109.7E6 K7D2-E6 HydrophobicContact CB-CB 4.18Å; D2-K7 HydrophobicContact CB-CG 3.99Å
3S86.8Confident88.1Confident46 Ų4646.1 Ų46.132%0.32224%0.24SC..  trans-61.8157.4174.864.40000110.7M1 M5 E6 K7M1-S3 PolarHBondContact O-N 3.17Å; S3-M5 PolarHBondContact O-N 3.1Å; S3-M5 VanDerWaalsContact O-N 3.14Å; S3-E6 PolarHBondContact N-OE2 3.2Å; S3-E6 PolarHBondContact O-N 3.15Å; S3-E6 WeakPolarHBondContact OG-CG 3.36Å; S3-E6 PolarHBondContact OG-N 2.98Å; S3-E6 VanDerWaalsContact OG-N 3.09Å; S3-E6 PolarHBondContact OG-OE2 2.71Å; S3-K7 PolarHBondContact O-N 3.09Å
4P91.3Very high88.5Confident64 Ų6446.7 Ų46.742%0.41625%0.247SC..Hα-helixtrans-51.4-36.1172.1-29.637.4000113F8 W45P4-F8 PolarHBondContact O-N 2.88Å; P4-F8 VanDerWaalsContact O-N 3.07Å; P4-W45 HydrophobicContact CB-CH2 3.8Å
5M91.4Very high88.8Confident46 Ų4647.1 Ų47.123%0.22725%0.249CC..Hα-helixtrans-67.9-45.3176-177.458.379.600112.3S3 K7 F8 I9 W45 L66S3-M5 PolarHBondContact O-N 3.1Å; S3-M5 VanDerWaalsContact O-N 3.14Å; M5-K7 VanDerWaalsContact C-N 3.3Å; M5-K7 PolarHBondContact O-N 3.35Å; M5-F8 WeakPolarHBondContact O-CB 3.32Å; M5-F8 PolarHBondContact O-N 3.07Å; M5-F8 VanDerWaalsContact O-N 3.15Å; M5-F8 HydrophobicContact SD-CD1 4.47Å; M5-I9 HydrophobicContact CG-CD1 3.99Å; M5-I9 HydrophobicContact CG-CG1 4.46Å; M5-I9 VanDerWaalsContact O-CG1 3.27Å; M5-I9 WeakPolarHBondContact O-CG1 3.45Å; M5-I9 PolarHBondContact O-N 3.21Å; M5-I9 HydrophobicContact SD-CD1 4.49Å; M5-I9 HydrophobicContact SD-CG1 4.41Å; M5-W45 HydrophobicContact CB-CZ2 4.43Å; M5-W45 HydrophobicContact CE-CD2 3.74Å; M5-W45 HydrophobicContact CE-CG 3.92Å; M5-W45 HydrophobicContact CE-CZ2 3.84Å; M5-W45 VanDerWaalsContact CE-NE1 3.27Å; M5-W45 HydrophobicContact SD-CD2 4.25Å; M5-W45 HydrophobicContact SD-CZ2 4.5Å; M5-L66 HydrophobicContact CE-CD2 3.8Å; M5-L66 HydrophobicContact CG-CD2 4.46Å; M5-L66 HydrophobicContact SD-CD1 4.4Å; M5-L66 HydrophobicContact SD-CD2 3.67Å
6E91.5Very high88.9Confident6 Ų644.4 Ų44.43%0.02823%0.234CC..Hα-helixtrans-62.2-39177.3-79.4175.2120.800112.3D2 S3 F8 I9 Q10 T101 H161 P163 F164D2-E6 HydrophobicContact CB-CB 4.18Å; S3-E6 PolarHBondContact N-OE2 3.2Å; S3-E6 PolarHBondContact O-N 3.15Å; S3-E6 WeakPolarHBondContact OG-CG 3.36Å; S3-E6 PolarHBondContact OG-N 2.98Å; S3-E6 VanDerWaalsContact OG-N 3.09Å; S3-E6 PolarHBondContact OG-OE2 2.71Å; E6-F8 VanDerWaalsContact C-N 3.35Å; E6-I9 PolarHBondContact O-N 3.43Å; E6-Q10 WeakPolarHBondContact O-CB 3.48Å; E6-Q10 PolarHBondContact O-N 2.98Å; E6-T101 WeakPolarHBondContact OE1-CB 3.49Å; E6-T101 PolarHBondContact OE1-OG1 3Å; E6-H161 IonicContact OE1-CD2 2.96Å; E6-H161 IonicContact OE1-NE2 2.9Å; E6-H161 IonicContact OE2-NE2 3.24Å; E6-P163 HydrophobicContact CG-CB 4.02Å; E6-P163 HydrophobicContact CG-CG 4.47Å; E6-P163 WeakPolarHBondContact OE1-CA 3.32Å; E6-F164 PolarHBondContact OE1-N 2.86Å
7K92.9Very high88.3Confident80 Ų8050.9 Ų50.935%0.34826%0.255SS..Hα-helixtrans-61.2-44.8173-69.5-176.8179.7-173.30111.4D2 S3 M5 I9 Q10 T11 L37D2-K7 HydrophobicContact CB-CG 3.99Å; S3-K7 PolarHBondContact O-N 3.09Å; M5-K7 VanDerWaalsContact C-N 3.3Å; M5-K7 PolarHBondContact O-N 3.35Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 3.09Å; K7-Q10 PolarHBondContact O-N 3.42Å; K7-T11 PolarHBondContact O-N 3.3Å; K7-T11 PolarHBondContact O-OG1 3.05Å; K7-L37 HydrophobicContact CB-CD1 4.23Å; K7-L37 HydrophobicContact CB-CD2 3.86Å; K7-L37 HydrophobicContact CD-CD2 3.93Å
8F94.5Very high87.6Confident0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-59.1-45.3174.9179.5-88.9000111.9P4 M5 E6 Q10 T11 Y12 L28 L37 V42 W45 I46 F49 F62P4-F8 PolarHBondContact O-N 2.88Å; P4-F8 VanDerWaalsContact O-N 3.07Å; M5-F8 WeakPolarHBondContact O-CB 3.32Å; M5-F8 PolarHBondContact O-N 3.07Å; M5-F8 VanDerWaalsContact O-N 3.15Å; M5-F8 HydrophobicContact SD-CD1 4.47Å; E6-F8 VanDerWaalsContact C-N 3.35Å; F8-Q10 VanDerWaalsContact C-N 3.35Å; F8-Q10 PolarHBondContact O-N 3.33Å; F8-T11 PolarHBondContact O-N 3.25Å; F8-Y12 PolarHBondContact O-N 3.23Å; F8-L28 HydrophobicContact CE1-CD2 4.4Å; F8-L28 HydrophobicContact CE2-CD1 4.31Å; F8-L28 HydrophobicContact CE2-CD2 3.84Å; F8-L28 HydrophobicContact CE2-CG 4.02Å; F8-L28 HydrophobicContact CZ-CD2 3.52Å; F8-L28 HydrophobicContact CZ-CG 4.2Å; F8-L37 HydrophobicContact CB-CD1 4.24Å; F8-V42 HydrophobicContact CD2-CG1 4.47Å; F8-V42 HydrophobicContact CD2-CG2 4.39Å; F8-V42 HydrophobicContact CE2-CG1 4.1Å; F8-W45 HydrophobicContact CB-CE3 3.79Å; F8-W45 HydrophobicContact CB-CZ3 3.61Å; F8-W45 HydrophobicContact CD1-CE3 4.21Å; F8-W45 AromaticContact CD2-CE3 3.61Å; F8-W45 HydrophobicContact CD2-CE3 3.61Å; F8-W45 HydrophobicContact CD2-CZ3 4.08Å; F8-W45 HydrophobicContact CE2-CE3 4.22Å; F8-W45 AromaticContact CG-CE3 3.59Å; F8-W45 HydrophobicContact CG-CE3 3.59Å; F8-W45 AromaticContact CG-CZ3 3.95Å; F8-W45 HydrophobicContact CG-CZ3 3.95Å; F8-W45 HydrophobicContact CZ-CB 4.33Å; F8-I46 HydrophobicContact CE2-CG1 4.35Å; F8-I46 HydrophobicContact CZ-CG1 4.31Å; F8-F49 HydrophobicContact CD1-CE2 4.19Å; F8-F49 AromaticContact CE1-CD2 3.85Å; F8-F49 HydrophobicContact CE1-CD2 3.85Å; F8-F49 AromaticContact CE1-CE2 3.36Å; F8-F49 HydrophobicContact CE1-CE2 3.36Å; F8-F49 HydrophobicContact CE1-CZ 4.48Å; F8-F49 HydrophobicContact CZ-CD2 4.06Å; F8-F49 AromaticContact CZ-CE2 3.88Å; F8-F49 HydrophobicContact CZ-CE2 3.88Å; F8-F62 HydrophobicContact CD1-CE2 4.22Å; F8-F62 HydrophobicContact CE1-CD2 4.44Å; F8-F62 AromaticContact CE1-CE2 3.83Å; F8-F62 HydrophobicContact CE1-CE2 3.83Å
9I93.8Very high86.9Confident1 Ų155.7 Ų55.71%0.00530%0.303CS..Hα-helixtrans-60.1-46.4176.8-63.8163.1000110.4M5 E6 K7 T11 Y12 L13 F62 L66 L68 M73 P163 F164M5-I9 HydrophobicContact CG-CD1 3.99Å; M5-I9 HydrophobicContact CG-CG1 4.46Å; M5-I9 VanDerWaalsContact O-CG1 3.27Å; M5-I9 WeakPolarHBondContact O-CG1 3.45Å; M5-I9 PolarHBondContact O-N 3.21Å; M5-I9 HydrophobicContact SD-CD1 4.49Å; M5-I9 HydrophobicContact SD-CG1 4.41Å; E6-I9 PolarHBondContact O-N 3.43Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 3.09Å; I9-T11 VanDerWaalsContact C-N 3.35Å; I9-T11 PolarHBondContact O-N 3.31Å; I9-Y12 PolarHBondContact O-N 2.99Å; I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.27Å; I9-L13 WeakPolarHBondContact O-CB 3.29Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.4Å; I9-F62 HydrophobicContact CB-CZ 4.01Å; I9-F62 HydrophobicContact CG1-CZ 3.81Å; I9-F62 HydrophobicContact CG2-CE1 4.19Å; I9-F62 HydrophobicContact CG2-CZ 3.83Å; I9-L66 HydrophobicContact CD1-CD1 3.96Å; I9-L66 HydrophobicContact CG1-CD1 3.7Å; I9-L68 HydrophobicContact CD1-CD1 4.27Å; I9-M73 HydrophobicContact CG2-SD 4.41Å; I9-P163 HydrophobicContact CD1-CB 3.78Å; I9-P163 HydrophobicContact CD1-CG 3.54Å; I9-F164 HydrophobicContact CB-CE2 4.31Å; I9-F164 HydrophobicContact CB-CZ 4.01Å; I9-F164 HydrophobicContact CG2-CE2 3.43Å; I9-F164 VanDerWaalsContact CG2-CE2 3.43Å; I9-F164 HydrophobicContact CG2-CZ 3.57Å
10Q93.2Very high86.4Confident82 Ų8255.7 Ų55.738%0.38330%0.302SS..Hα-helixtrans-62.1-41.5178.2-176.1178.3-7.600112.1E6 K7 F8 T14 I80 F164E6-Q10 WeakPolarHBondContact O-CB 3.48Å; E6-Q10 PolarHBondContact O-N 2.98Å; K7-Q10 PolarHBondContact O-N 3.42Å; F8-Q10 VanDerWaalsContact C-N 3.35Å; F8-Q10 PolarHBondContact O-N 3.33Å; Q10-T14 VanDerWaalsContact O-CB 3.31Å; Q10-T14 WeakPolarHBondContact O-CB 3.38Å; Q10-T14 PolarHBondContact O-N 2.89Å; Q10-T14 PolarHBondContact O-OG1 3.45Å; Q10-I80 HydrophobicContact CG-CD1 4.23Å; Q10-F164 HydrophobicContact CB-CE1 4.33Å; Q10-F164 HydrophobicContact CB-CZ 4.25Å
11T94.1Very high86.2Confident11 Ų1160.5 Ų60.57%0.06732%0.323CS..Hα-helixtrans-61.7-47.2175-58.90000111.1K7 F8 I9 T14 L15 L28 S31K7-T11 PolarHBondContact O-N 3.3Å; K7-T11 PolarHBondContact O-OG1 3.05Å; F8-T11 PolarHBondContact O-N 3.25Å; I9-T11 VanDerWaalsContact C-N 3.35Å; I9-T11 PolarHBondContact O-N 3.31Å; T11-T14 WeakPolarHBondContact O-CB 3.37Å; T11-T14 PolarHBondContact O-N 2.81Å; T11-L15 HydrophobicContact CG2-CD1 4.27Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 2.9Å; T11-L28 HydrophobicContact CG2-CD1 4Å; T11-S31 VanDerWaalsContact CG2-CB 3.47Å; T11-S31 WeakPolarHBondContact CG2-OG 3.5Å
12Y95Very high88Confident0 Ų053 Ų530%029%0.289CS..Hα-helixtrans-59.3-50.5177176.3-91.9000111.9F8 I9 T14 L15 L16 V23 L28 I57 T58 F59 F62F8-Y12 PolarHBondContact O-N 3.23Å; I9-Y12 PolarHBondContact O-N 2.99Å; Y12-T14 PolarHBondContact O-N 3.48Å; Y12-L15 PolarHBondContact O-N 3.39Å; Y12-L15 VanDerWaalsContact O-N 3.12Å; Y12-L16 HydrophobicContact CE1-CD2 4.27Å; Y12-L16 PolarHBondContact O-N 2.89Å; Y12-V23 HydrophobicContact CD2-CB 4.1Å; Y12-V23 HydrophobicContact CD2-CG2 4Å; Y12-V23 HydrophobicContact CE2-CB 3.72Å; Y12-V23 HydrophobicContact CE2-CG2 3.61Å; Y12-L28 HydrophobicContact CD2-CD1 4.48Å; Y12-L28 HydrophobicContact CD2-CD2 4.02Å; Y12-I57 HydrophobicContact CE2-CB 4.09Å; Y12-I57 HydrophobicContact CE2-CG2 3.78Å; Y12-I57 PolarHBondContact OH-O 3Å; Y12-T58 VanDerWaalsContact OH-C 3.26Å; Y12-T58 PolarHBondContact OH-O 3.26Å; Y12-F59 HydrophobicContact CE1-CD2 4.19Å; Y12-F59 WeakPolarHBondContact OH-CA 3.31Å; Y12-F59 PolarHBondContact OH-N 3.13Å; Y12-F62 HydrophobicContact CD1-CB 4.45Å; Y12-F62 AromaticContact CD1-CD1 3.71Å; Y12-F62 HydrophobicContact CD1-CD1 3.71Å; Y12-F62 AromaticContact CD1-CD2 3.59Å; Y12-F62 HydrophobicContact CD1-CD2 3.59Å; Y12-F62 AromaticContact CD1-CE1 3.73Å; Y12-F62 HydrophobicContact CD1-CE1 3.73Å; Y12-F62 AromaticContact CD1-CE2 3.59Å; Y12-F62 HydrophobicContact CD1-CE2 3.59Å; Y12-F62 AromaticContact CD1-CG 3.63Å; Y12-F62 HydrophobicContact CD1-CG 3.63Å; Y12-F62 AromaticContact CD1-CZ 3.66Å; Y12-F62 HydrophobicContact CD1-CZ 3.66Å; Y12-F62 AromaticContact CD2-CD2 3.83Å; Y12-F62 HydrophobicContact CD2-CD2 3.83Å; Y12-F62 HydrophobicContact CD2-CE2 4.12Å; Y12-F62 HydrophobicContact CD2-CG 4.4Å; Y12-F62 HydrophobicContact CE1-CB 3.81Å; Y12-F62 AromaticContact CE1-CD1 3.61Å; Y12-F62 HydrophobicContact CE1-CD1 3.61Å; Y12-F62 AromaticContact CE1-CD2 3.82Å; Y12-F62 HydrophobicContact CE1-CD2 3.82Å; Y12-F62 HydrophobicContact CE1-CE1 4.11Å; Y12-F62 HydrophobicContact CE1-CE2 4.28Å; Y12-F62 AromaticContact CE1-CG 3.44Å; Y12-F62 HydrophobicContact CE1-CG 3.44Å; Y12-F62 VanDerWaalsContact CE1-CG 3.44Å; Y12-F62 HydrophobicContact CE1-CZ 4.4Å; Y12-F62 HydrophobicContact CE2-CB 4.25Å; Y12-F62 HydrophobicContact CE2-CD2 4.03Å; Y12-F62 HydrophobicContact CE2-CG 4.23Å; Y12-F62 AromaticContact CG-CD2 3.61Å; Y12-F62 HydrophobicContact CG-CD2 3.61Å; Y12-F62 HydrophobicContact CG-CE1 4.49Å; Y12-F62 AromaticContact CG-CE2 3.52Å; Y12-F62 HydrophobicContact CG-CE2 3.52Å; Y12-F62 HydrophobicContact CG-CG 4.13Å; Y12-F62 AromaticContact CG-CZ 3.99Å; Y12-F62 HydrophobicContact CG-CZ 3.99Å; Y12-F62 AromaticContact CZ-CG 3.78Å
13L93.3Very high89.1Confident1 Ų150.7 Ų50.71%0.00528%0.277CS..Hα-helixtrans-63.8-29-179.7-67179.9000112.8I9 F59 M73 E76 R77 I80 F164I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.27Å; I9-L13 WeakPolarHBondContact O-CB 3.29Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.4Å; L13-F59 HydrophobicContact CD2-CE2 4.02Å; L13-M73 HydrophobicContact CD1-SD 4.41Å; L13-E76 HydrophobicContact CD1-CB 4.42Å; L13-R77 HydrophobicContact CD2-CB 4.34Å; L13-I80 HydrophobicContact CB-CD1 3.86Å; L13-I80 HydrophobicContact CD1-CD1 3.96Å; L13-F164 HydrophobicContact CD1-CE2 4.13Å
14T92.5Very high89.4Confident55 Ų5552.2 Ų52.234%0.33728%0.279SS..Hα-helixtrans-70.1-41.2174-65.40000112Q10 T11 Y12 Q84Q10-T14 VanDerWaalsContact O-CB 3.31Å; Q10-T14 WeakPolarHBondContact O-CB 3.38Å; Q10-T14 PolarHBondContact O-N 2.89Å; Q10-T14 PolarHBondContact O-OG1 3.45Å; T11-T14 WeakPolarHBondContact O-CB 3.37Å; T11-T14 PolarHBondContact O-N 2.81Å; Y12-T14 PolarHBondContact O-N 3.48Å; T14-Q84 PolarHBondContact OG1-NE2 3.21Å
15L92.9Very high89.6Confident53 Ų5349.9 Ų49.928%0.27726%0.263SS..Hα-helixtrans-75.3-30.3-179.2-71.2174.5000113.2T11 Y12 R17 V23 L28T11-L15 HydrophobicContact CG2-CD1 4.27Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 2.9Å; Y12-L15 PolarHBondContact O-N 3.39Å; Y12-L15 VanDerWaalsContact O-N 3.12Å; L15-R17 PolarHBondContact O-N 3.07Å; L15-R17 VanDerWaalsContact O-N 3.13Å; L15-V23 HydrophobicContact CB-CG1 3.89Å; L15-V23 HydrophobicContact CB-CG2 4.26Å; L15-V23 HydrophobicContact CD1-CG1 4.04Å; L15-L28 HydrophobicContact CD1-CB 4.26Å; L15-L28 HydrophobicContact CD1-CD1 3.96Å
16L90.5Very high89.8Confident3 Ų351 Ų512%0.01628%0.275CS..  trans-65.3110.4176.9-17070.9000109.5Y12 D20 V23 F59 R77Y12-L16 HydrophobicContact CE1-CD2 4.27Å; Y12-L16 PolarHBondContact O-N 2.89Å; L16-D20 WeakPolarHBondContact CD1-O 3.46Å; L16-V23 HydrophobicContact CB-CG2 3.92Å; L16-V23 HydrophobicContact CD1-CG2 3.85Å; L16-F59 HydrophobicContact CD2-CB 4.26Å; L16-F59 HydrophobicContact CD2-CD2 3.48Å; L16-F59 VanDerWaalsContact CD2-CD2 3.48Å; L16-F59 HydrophobicContact CD2-CE2 4.12Å; L16-F59 HydrophobicContact CD2-CG 4.14Å; L16-R77 VanDerWaalsContact C-NH2 3.33Å; L16-R77 VanDerWaalsContact O-CZ 3.23Å; L16-R77 PolarHBondContact O-NE 3.11Å; L16-R77 PolarHBondContact O-NH2 3.19Å
17R79.1Confident89.9Confident155 Ų15555.1 Ų55.159%0.58529%0.294SS*.  trans-88.7160.6-179.5-60.1177.1-70.5-175.71.5112.7L15 G19 D20 R77L15-R17 PolarHBondContact O-N 3.07Å; L15-R17 VanDerWaalsContact O-N 3.13Å; R17-G19 PolarHBondContact O-N 3.16Å; R17-D20 HydrophobicContact CB-CB 4.2Å; R17-D20 WeakPolarHBondContact CB-OD2 3.04Å; R17-D20 IonicContact CZ-OD2 2.93Å; R17-D20 VanDerWaalsContact CZ-OD2 3.24Å; R17-D20 IonicContact NE-OD2 3.47Å; R17-D20 PolarHBondContact NE-OD2 3.45Å; R17-D20 IonicContact NH2-OD1 3.94Å; R17-D20 IonicContact NH2-OD2 3.47Å; R17-D20 PolarHBondContact NH2-OD2 3.42Å; R17-D20 WeakPolarHBondContact O-CB 3.32Å; R17-D20 PolarHBondContact O-N 3.28Å; R17-R77 PolarHBondContact O-NH2 2.88Å
18D76.5Confident90Very high115 Ų11551.3 Ų51.362%0.61528%0.277SS*.THydrogen-bonded Turntrans-66.2128.5-178-76.1-38.7000110.2D20 R77 K81D18-D20 PolarHBondContact O-N 2.99Å; D18-R77 IonicContact OD1-CZ 2.72Å; D18-R77 IonicContact OD1-NH1 3.61Å; D18-R77 PolarHBondContact OD1-NH1 3.37Å; D18-R77 IonicContact OD1-NH2 3.96Å; D18-R77 PolarHBondContact OD1-NH2 3.04Å; D18-K81 IonicContact OD1-NZ 3.6Å; D18-K81 PolarHBondContact OD1-NZ 3.03Å; D18-K81 IonicContact OD2-NZ 3.93Å; D18-K81 PolarHBondContact OD2-NZ 3.46Å
19G73.1Confident90Very high78 Ų7852.3 Ų52.380%0.80428%0.284SS*.THydrogen-bonded Turntrans82.1-14.3-171.900000114.6R17R17-G19 PolarHBondContact O-N 3.16Å
20D77.3Confident90.1Very high56 Ų5657 Ų5730%0.29931%0.305SS..  trans-76.9129.3169.4-72.7-0.4000108.8L16 R17 D18L16-D20 WeakPolarHBondContact CD1-O 3.46Å; R17-D20 HydrophobicContact CB-CB 4.2Å; R17-D20 WeakPolarHBondContact CB-OD2 3.04Å; R17-D20 IonicContact CZ-OD2 2.93Å; R17-D20 VanDerWaalsContact CZ-OD2 3.24Å; R17-D20 IonicContact NE-OD2 3.47Å; R17-D20 PolarHBondContact NE-OD2 3.45Å; R17-D20 IonicContact NH2-OD1 3.94Å; R17-D20 IonicContact NH2-OD2 3.47Å; R17-D20 PolarHBondContact NH2-OD2 3.42Å; R17-D20 WeakPolarHBondContact O-CB 3.32Å; R17-D20 PolarHBondContact O-N 3.28Å; D18-D20 PolarHBondContact O-N 2.99Å
21E82.8Confident90.2Very high156 Ų15654.4 Ų54.473%0.72930%0.297SS*.  trans-93.6-12.1175.2-63.6-171.6151.600112.7T58 F59E21-T58 CarbonylContact O-C 3.59Å; E21-T58 VanDerWaalsContact O-CA 3.3Å; E21-T58 WeakPolarHBondContact O-CA 3.3Å; E21-F59 PolarHBondContact O-N 2.9Å
22T92.7Very high90.2Very high50 Ų5053.9 Ų53.931%0.30729%0.294SS..EExtended strand (participates in β ladder)trans-138.2153.2-170.259.80000113K56 I57 T58T22-K56 HydrophobicContact CG2-CB 4.48Å; T22-I57 CarbonylContact C-O 3.54Å; T22-I57 VanDerWaalsContact CA-O 3.29Å; T22-I57 WeakPolarHBondContact CA-O 3.37Å; T22-T58 HydrophobicContact CG2-CG2 3.6Å
23V95Very high90.2Very high7 Ų761.7 Ų61.74%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-120.1129.5168.3179.80000108.7Y12 L15 L16 L28 K56 I57Y12-V23 HydrophobicContact CD2-CB 4.1Å; Y12-V23 HydrophobicContact CD2-CG2 4Å; Y12-V23 HydrophobicContact CE2-CB 3.72Å; Y12-V23 HydrophobicContact CE2-CG2 3.61Å; L15-V23 HydrophobicContact CB-CG1 3.89Å; L15-V23 HydrophobicContact CB-CG2 4.26Å; L15-V23 HydrophobicContact CD1-CG1 4.04Å; L16-V23 HydrophobicContact CB-CG2 3.92Å; L16-V23 HydrophobicContact CD1-CG2 3.85Å; V23-L28 HydrophobicContact CG1-CB 4.12Å; V23-K56 CarbonylContact O-C 3.54Å; V23-K56 WeakPolarHBondContact O-CA 3.41Å; V23-I57 PolarHBondContact N-O 2.96Å; V23-I57 PolarHBondContact O-N 3.24Å
24E95Very high90.2Very high77 Ų7768.3 Ų68.336%0.3635%0.352SS..EExtended strand (participates in β ladder)trans-66.5132.4173.7-69.4163.4-144.600111S26 K27 L28 K56E24-S26 PolarHBondContact O-N 3.16Å; E24-K27 HydrophobicContact CB-CB 4.38Å; E24-K27 HydrophobicContact CB-CD 4.17Å; E24-K27 HydrophobicContact CB-CG 4.24Å; E24-K27 PolarHBondContact O-N 3.23Å; E24-K27 VanDerWaalsContact O-N 3.16Å; E24-K27 IonicContact OE1-NZ 2.77Å; E24-K27 PolarHBondContact OE1-NZ 3Å; E24-K27 WeakPolarHBondContact OE2-CD 3.18Å; E24-K27 WeakPolarHBondContact OE2-CE 3.32Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 2.77Å; E24-L28 PolarHBondContact O-N 3.4Å; E24-K56 HydrophobicContact CG-CG 4.46Å
25T94.3Very high90.1Very high15 Ų1570.9 Ų70.99%0.09236%0.36CS..Hα-helixtrans-58.8-33.5-179.154.70000112.9S29 I46 D50 Q55 I57T25-S29 VanDerWaalsContact O-CB 3.32Å; T25-S29 WeakPolarHBondContact O-CB 3.33Å; T25-S29 PolarHBondContact O-N 3.33Å; T25-S29 PolarHBondContact O-OG 3.27Å; T25-I46 HydrophobicContact CG2-CG2 3.62Å; T25-D50 HydrophobicContact CG2-CB 4.35Å; T25-Q55 WeakPolarHBondContact CB-O 3.25Å; T25-Q55 WeakPolarHBondContact CG2-O 3.44Å; T25-Q55 PolarHBondContact N-O 3.02Å; T25-Q55 PolarHBondContact OG1-O 3.03Å; T25-I57 HydrophobicContact CG2-CD1 4.06Å; T25-I57 HydrophobicContact CG2-CG1 4.02Å
26S94.8Very high90.1Very high69 Ų6977.4 Ų77.448%0.48339%0.386SS..Hα-helixtrans-64.2-48.1176.159.80000112.1E24 S29 E30E24-S26 PolarHBondContact O-N 3.16Å; S26-S29 PolarHBondContact O-N 3.46Å; S26-E30 WeakPolarHBondContact O-CB 3.47Å; S26-E30 PolarHBondContact O-N 3.05Å
27K94.5Very high90.2Very high94 Ų9478.1 Ų78.141%0.40939%0.39SS..Hα-helixtrans-63.5-42.3176.4-69.9176.8179.61510111.4E24 E30 S31E24-K27 HydrophobicContact CB-CB 4.38Å; E24-K27 HydrophobicContact CB-CD 4.17Å; E24-K27 HydrophobicContact CB-CG 4.24Å; E24-K27 PolarHBondContact O-N 3.23Å; E24-K27 VanDerWaalsContact O-N 3.16Å; E24-K27 IonicContact OE1-NZ 2.77Å; E24-K27 PolarHBondContact OE1-NZ 3Å; E24-K27 WeakPolarHBondContact OE2-CD 3.18Å; E24-K27 WeakPolarHBondContact OE2-CE 3.32Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 2.77Å; K27-E30 PolarHBondContact O-N 3.07Å; K27-S31 PolarHBondContact O-N 3.08Å
28L95.2Very high91Very high0 Ų074.8 Ų74.80%038%0.384CS..Hα-helixtrans-61.6-48176.6-176.456.9000111.5F8 T11 Y12 L15 V23 E24 E30 S31 C32 I46 I57F8-L28 HydrophobicContact CE1-CD2 4.4Å; F8-L28 HydrophobicContact CE2-CD1 4.31Å; F8-L28 HydrophobicContact CE2-CD2 3.84Å; F8-L28 HydrophobicContact CE2-CG 4.02Å; F8-L28 HydrophobicContact CZ-CD2 3.52Å; F8-L28 HydrophobicContact CZ-CG 4.2Å; T11-L28 HydrophobicContact CG2-CD1 4Å; Y12-L28 HydrophobicContact CD2-CD1 4.48Å; Y12-L28 HydrophobicContact CD2-CD2 4.02Å; L15-L28 HydrophobicContact CD1-CB 4.26Å; L15-L28 HydrophobicContact CD1-CD1 3.96Å; V23-L28 HydrophobicContact CG1-CB 4.12Å; E24-L28 PolarHBondContact O-N 3.4Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-E30 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-N 3.38Å; L28-C32 WeakPolarHBondContact O-CB 3.08Å; L28-C32 PolarHBondContact O-N 2.86Å; L28-C32 PolarHBondContact O-SG 2.87Å; L28-I46 HydrophobicContact CD2-CG1 4.29Å; L28-I57 HydrophobicContact CD2-CD1 3.85Å
29S95.3Very high91.9Very high20 Ų2071.2 Ų71.214%0.1436%0.364CS..Hα-helixtrans-60.8-42.3177.4-630000112.4T25 S26 C32 R33 I46T25-S29 VanDerWaalsContact O-CB 3.32Å; T25-S29 WeakPolarHBondContact O-CB 3.33Å; T25-S29 PolarHBondContact O-N 3.33Å; T25-S29 PolarHBondContact O-OG 3.27Å; S26-S29 PolarHBondContact O-N 3.46Å; S29-C32 PolarHBondContact O-N 3.16Å; S29-R33 WeakPolarHBondContact O-CB 3.49Å; S29-R33 PolarHBondContact O-N 2.98Å; S29-I46 WeakPolarHBondContact OG-CD1 3.27Å
30E95.9Very high93Very high99 Ų9974.3 Ų74.346%0.46336%0.355SS..Hα-helixtrans-63.3-44.2177.1-166-165.7149.800111.4S26 K27 L28 R33 K34S26-E30 WeakPolarHBondContact O-CB 3.47Å; S26-E30 PolarHBondContact O-N 3.05Å; K27-E30 PolarHBondContact O-N 3.07Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-E30 PolarHBondContact O-N 2.93Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.09Å; E30-K34 PolarHBondContact O-N 2.75Å; E30-K34 VanDerWaalsContact O-N 3.16Å; E30-K34 VanDerWaalsContact OE1-CE 3.29Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å; E30-K34 IonicContact OE1-NZ 2.71Å; E30-K34 PolarHBondContact OE1-NZ 3.07Å
31S94.3Very high93.7Very high29 Ų2975.1 Ų75.120%0.20336%0.357CS..Hα-helixtrans-67.3-39.7178-1610000112T11 K27 L28 R33 K34 E35T11-S31 VanDerWaalsContact CG2-CB 3.47Å; T11-S31 WeakPolarHBondContact CG2-OG 3.5Å; K27-S31 PolarHBondContact O-N 3.08Å; L28-S31 PolarHBondContact O-N 3.38Å; S31-R33 VanDerWaalsContact C-N 3.28Å; S31-R33 PolarHBondContact O-N 3.14Å; S31-K34 WeakPolarHBondContact O-CB 3.44Å; S31-K34 PolarHBondContact O-N 3.29Å; S31-E35 PolarHBondContact O-N 2.92Å; S31-E35 VanDerWaalsContact O-N 3.11Å
32C95.2Very high94.3Very high0 Ų067.7 Ų67.70%032%0.322CS..Hα-helixtrans-62.4-36.4175.1-68.90000112.1L28 S29 E35 K36 L37 M39 V42L28-C32 WeakPolarHBondContact O-CB 3.08Å; L28-C32 PolarHBondContact O-N 2.86Å; L28-C32 PolarHBondContact O-SG 2.87Å; S29-C32 PolarHBondContact O-N 3.16Å; C32-E35 CarbonylContact O-C 3.57Å; C32-E35 PolarHBondContact O-N 3.08Å; C32-K36 PolarHBondContact O-N 3.43Å; C32-L37 HydrophobicContact CB-CB 4.31Å; C32-L37 HydrophobicContact CB-CD1 3.97Å; C32-L37 PolarHBondContact O-N 3.09Å; C32-M39 HydrophobicContact CB-SD 4.49Å; C32-V42 HydrophobicContact CB-CG1 4.06Å; C32-V42 HydrophobicContact CB-CG2 3.84Å
33R94.8Very high94.4Very high164 Ų16469.6 Ų69.662%0.61933%0.331SS*.Hα-helixtrans-64.5-39.5175.1-170.6-179.5-65158.20.6112S29 E30 S31 E35 K36 M39S29-R33 WeakPolarHBondContact O-CB 3.49Å; S29-R33 PolarHBondContact O-N 2.98Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.09Å; S31-R33 VanDerWaalsContact C-N 3.28Å; S31-R33 PolarHBondContact O-N 3.14Å; R33-E35 VanDerWaalsContact C-N 3.31Å; R33-K36 PolarHBondContact O-N 2.87Å; R33-K36 VanDerWaalsContact O-N 3.09Å; R33-M39 HydrophobicContact CB-SD 3.84Å; R33-M39 HydrophobicContact CG-SD 4.42Å
34K93.7Very high94.3Very high139 Ų13974 Ų7460%0.60435%0.351SS*.Hα-helixtrans-63.9-37.9175.5-69.5172.1-173.6165.80111.5E30 S31 K36E30-K34 PolarHBondContact O-N 2.75Å; E30-K34 VanDerWaalsContact O-N 3.16Å; E30-K34 VanDerWaalsContact OE1-CE 3.29Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å; E30-K34 IonicContact OE1-NZ 2.71Å; E30-K34 PolarHBondContact OE1-NZ 3.07Å; S31-K34 WeakPolarHBondContact O-CB 3.44Å; S31-K34 PolarHBondContact O-N 3.29Å; K34-K36 PolarHBondContact O-N 3.05Å
35E90.3Very high94.3Very high110 Ų11072 Ų7251%0.51434%0.34SS..THydrogen-bonded Turntrans-75.74.4173.6-65.4-57.2143.200114S31 C32 R33 L37S31-E35 PolarHBondContact O-N 2.92Å; S31-E35 VanDerWaalsContact O-N 3.11Å; C32-E35 CarbonylContact O-C 3.57Å; C32-E35 PolarHBondContact O-N 3.08Å; R33-E35 VanDerWaalsContact C-N 3.31Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 HydrophobicContact CB-CG 4.37Å; E35-L37 PolarHBondContact O-N 3.06Å
36K92.1Very high94.3Very high189 Ų18972.1 Ų72.182%0.82234%0.34SS*.THydrogen-bonded Turntrans57.733.8179.1-55.1177.3179.8175.90113.6C32 R33 K34C32-K36 PolarHBondContact O-N 3.43Å; R33-K36 PolarHBondContact O-N 2.87Å; R33-K36 VanDerWaalsContact O-N 3.09Å; K34-K36 PolarHBondContact O-N 3.05Å
37L93.5Very high94.2Very high19 Ų1972.3 Ų72.310%0.09935%0.346CS..  trans-73.1151.9171.2-65178.2000111.1K7 F8 C32 E35 M39 V42K7-L37 HydrophobicContact CB-CD1 4.23Å; K7-L37 HydrophobicContact CB-CD2 3.86Å; K7-L37 HydrophobicContact CD-CD2 3.93Å; F8-L37 HydrophobicContact CB-CD1 4.24Å; C32-L37 HydrophobicContact CB-CB 4.31Å; C32-L37 HydrophobicContact CB-CD1 3.97Å; C32-L37 PolarHBondContact O-N 3.09Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 HydrophobicContact CB-CG 4.37Å; E35-L37 PolarHBondContact O-N 3.06Å; L37-M39 PolarHBondContact O-N 3.14Å; L37-M39 VanDerWaalsContact O-N 3.15Å; L37-V42 HydrophobicContact CB-CG2 3.86Å; L37-V42 HydrophobicContact CD1-CG2 4.42Å
38D95.2Very high94Very high85 Ų8573.1 Ų73.146%0.45535%0.354SS..  trans-67.6111.1173.8-179.6-4.7000109.5K40 Q41 V42D38-K40 PolarHBondContact O-N 3.15Å; D38-K40 VanDerWaalsContact O-N 3.17Å; D38-K40 VanDerWaalsContact OD1-CB 3.32Å; D38-K40 WeakPolarHBondContact OD1-CB 3.07Å; D38-K40 PolarHBondContact OD1-N 3.23Å; D38-Q41 HydrophobicContact CB-CB 4.35Å; D38-Q41 HydrophobicContact CB-CG 4.15Å; D38-Q41 PolarHBondContact O-N 3.32Å; D38-Q41 VanDerWaalsContact O-N 3.1Å; D38-V42 WeakPolarHBondContact O-CG2 3.41Å; D38-V42 PolarHBondContact O-N 2.99Å
39M95.5Very high93.9Very high40 Ų4073.2 Ų73.220%0.19735%0.354CS..Hα-helixtrans-63.8-22-177.4-64.9-52.6-48.500113.2C32 R33 L37 V42 N43C32-M39 HydrophobicContact CB-SD 4.49Å; R33-M39 HydrophobicContact CB-SD 3.84Å; R33-M39 HydrophobicContact CG-SD 4.42Å; L37-M39 PolarHBondContact O-N 3.14Å; L37-M39 VanDerWaalsContact O-N 3.15Å; M39-V42 HydrophobicContact CE-CB 4.03Å; M39-V42 HydrophobicContact CE-CG1 3.74Å; M39-V42 HydrophobicContact SD-CB 4.49Å; M39-V42 HydrophobicContact SD-CG2 4.43Å; M39-N43 WeakPolarHBondContact O-CB 3.41Å; M39-N43 PolarHBondContact O-N 3.04Å; M39-N43 PolarHBondContact O-ND2 2.86Å; M39-N43 PolarHBondContact O-OD1 2.88Å
40K94.8Very high93.8Very high143 Ų14373.1 Ų73.162%0.62235%0.352SS*.Hα-helixtrans-66.2-48.8173-172.9-175.3173.1-170.80110.5D38 N43 E44D38-K40 PolarHBondContact O-N 3.15Å; D38-K40 VanDerWaalsContact O-N 3.17Å; D38-K40 VanDerWaalsContact OD1-CB 3.32Å; D38-K40 WeakPolarHBondContact OD1-CB 3.07Å; D38-K40 PolarHBondContact OD1-N 3.23Å; K40-N43 PolarHBondContact O-N 3.4Å; K40-E44 WeakPolarHBondContact CE-OE1 3.43Å; K40-E44 WeakPolarHBondContact O-CG 3.22Å; K40-E44 PolarHBondContact O-N 2.86Å; K40-E44 VanDerWaalsContact O-N 3.07Å
41Q93.7Very high93.5Very high72 Ų7272.5 Ų72.534%0.33636%0.355SS..Hα-helixtrans-63.1-43.2176.1-65.9-176.9-21.500111.5D38 N43 E44 W45D38-Q41 HydrophobicContact CB-CB 4.35Å; D38-Q41 HydrophobicContact CB-CG 4.15Å; D38-Q41 PolarHBondContact O-N 3.32Å; D38-Q41 VanDerWaalsContact O-N 3.1Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.48Å; Q41-E44 PolarHBondContact O-N 3.28Å; Q41-W45 HydrophobicContact CB-CH2 4Å; Q41-W45 HydrophobicContact CB-CZ2 3.92Å; Q41-W45 HydrophobicContact CB-CZ3 4.37Å; Q41-W45 VanDerWaalsContact O-CD2 3.31Å; Q41-W45 VanDerWaalsContact O-CG 3.23Å; Q41-W45 PolarHBondContact O-N 2.87Å
42V94.7Very high93.4Very high0 Ų076 Ų760%037%0.371CS..Hα-helixtrans-58.1-44.9177171.10000111.3F8 C32 L37 D38 M39 W45 I46F8-V42 HydrophobicContact CD2-CG1 4.47Å; F8-V42 HydrophobicContact CD2-CG2 4.39Å; F8-V42 HydrophobicContact CE2-CG1 4.1Å; C32-V42 HydrophobicContact CB-CG1 4.06Å; C32-V42 HydrophobicContact CB-CG2 3.84Å; L37-V42 HydrophobicContact CB-CG2 3.86Å; L37-V42 HydrophobicContact CD1-CG2 4.42Å; D38-V42 WeakPolarHBondContact O-CG2 3.41Å; D38-V42 PolarHBondContact O-N 2.99Å; M39-V42 HydrophobicContact CE-CB 4.03Å; M39-V42 HydrophobicContact CE-CG1 3.74Å; M39-V42 HydrophobicContact SD-CB 4.49Å; M39-V42 HydrophobicContact SD-CG2 4.43Å; V42-W45 HydrophobicContact CG2-CE3 4.48Å; V42-W45 HydrophobicContact CG2-CZ3 4.4Å; V42-W45 PolarHBondContact O-N 3.45Å; V42-I46 HydrophobicContact CG1-CD1 3.77Å; V42-I46 HydrophobicContact CG1-CG1 4.41Å; V42-I46 WeakPolarHBondContact O-CB 3.45Å; V42-I46 VanDerWaalsContact O-CG1 3.32Å; V42-I46 WeakPolarHBondContact O-CG1 3.3Å; V42-I46 PolarHBondContact O-N 3.27Å
43N94.3Very high93.2Very high91 Ų9184.2 Ų84.249%0.48741%0.407SS..Hα-helixtrans-66.6-37.9178.7-69.7-16.2000112.2M39 K40 Q41 A47M39-N43 WeakPolarHBondContact O-CB 3.41Å; M39-N43 PolarHBondContact O-N 3.04Å; M39-N43 PolarHBondContact O-ND2 2.86Å; M39-N43 PolarHBondContact O-OD1 2.88Å; K40-N43 PolarHBondContact O-N 3.4Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.48Å; N43-A47 WeakPolarHBondContact O-CB 3.39Å; N43-A47 PolarHBondContact O-N 3.47Å
44E94Very high93.1Very high100 Ų10079.7 Ų79.747%0.46740%0.395SS..Hα-helixtrans-62.4-43.1174.1-72.2168.7-174.200111.3K40 Q41 A47 L48K40-E44 WeakPolarHBondContact CE-OE1 3.43Å; K40-E44 WeakPolarHBondContact O-CG 3.22Å; K40-E44 PolarHBondContact O-N 2.86Å; K40-E44 VanDerWaalsContact O-N 3.07Å; Q41-E44 PolarHBondContact O-N 3.28Å; E44-A47 PolarHBondContact O-N 3.46Å; E44-L48 WeakPolarHBondContact O-CD1 3.36Å; E44-L48 WeakPolarHBondContact O-CG 3.22Å; E44-L48 PolarHBondContact O-N 3.29Å; E44-L48 VanDerWaalsContact O-N 3.16Å
45W94.2Very high93.2Very high33 Ų3379.6 Ų79.613%0.12540%0.397CS..Hα-helixtrans-67.7-43.7176.2-61.4-24.9000112.9P4 M5 F8 Q41 V42 A47 L48 F49P4-W45 HydrophobicContact CB-CH2 3.8Å; M5-W45 HydrophobicContact CB-CZ2 4.43Å; M5-W45 HydrophobicContact CE-CD2 3.74Å; M5-W45 HydrophobicContact CE-CG 3.92Å; M5-W45 HydrophobicContact CE-CZ2 3.84Å; M5-W45 VanDerWaalsContact CE-NE1 3.27Å; M5-W45 HydrophobicContact SD-CD2 4.25Å; M5-W45 HydrophobicContact SD-CZ2 4.5Å; F8-W45 HydrophobicContact CB-CE3 3.79Å; F8-W45 HydrophobicContact CB-CZ3 3.61Å; F8-W45 HydrophobicContact CD1-CE3 4.21Å; F8-W45 AromaticContact CD2-CE3 3.61Å; F8-W45 HydrophobicContact CD2-CE3 3.61Å; F8-W45 HydrophobicContact CD2-CZ3 4.08Å; F8-W45 HydrophobicContact CE2-CE3 4.22Å; F8-W45 AromaticContact CG-CE3 3.59Å; F8-W45 HydrophobicContact CG-CE3 3.59Å; F8-W45 AromaticContact CG-CZ3 3.95Å; F8-W45 HydrophobicContact CG-CZ3 3.95Å; F8-W45 HydrophobicContact CZ-CB 4.33Å; Q41-W45 HydrophobicContact CB-CH2 4Å; Q41-W45 HydrophobicContact CB-CZ2 3.92Å; Q41-W45 HydrophobicContact CB-CZ3 4.37Å; Q41-W45 VanDerWaalsContact O-CD2 3.31Å; Q41-W45 VanDerWaalsContact O-CG 3.23Å; Q41-W45 PolarHBondContact O-N 2.87Å; V42-W45 HydrophobicContact CG2-CE3 4.48Å; V42-W45 HydrophobicContact CG2-CZ3 4.4Å; V42-W45 PolarHBondContact O-N 3.45Å; W45-A47 VanDerWaalsContact C-N 3.29Å; W45-A47 PolarHBondContact O-N 2.91Å; W45-L48 WeakPolarHBondContact O-CB 3.14Å; W45-L48 PolarHBondContact O-N 3.28Å; W45-F49 HydrophobicContact CB-CD2 4.41Å; W45-F49 HydrophobicContact CB-CE2 3.69Å; W45-F49 HydrophobicContact CB-CZ 4.11Å; W45-F49 WeakPolarHBondContact O-CD2 3.36Å; W45-F49 WeakPolarHBondContact O-CE2 3.47Å; W45-F49 VanDerWaalsContact O-CG 3.22Å; W45-F49 WeakPolarHBondContact O-CG 3.41Å; W45-F49 PolarHBondContact O-N 2.91Å; W45-F49 VanDerWaalsContact O-N 3.08Å
46I94.1Very high93.4Very high18 Ų1878.6 Ų78.69%0.09239%0.391CS..Hα-helixtrans-57.5-45.4175.2-74.4171.5000110.3F8 T25 L28 S29 V42 L48 F49 D50 I57F8-I46 HydrophobicContact CE2-CG1 4.35Å; F8-I46 HydrophobicContact CZ-CG1 4.31Å; T25-I46 HydrophobicContact CG2-CG2 3.62Å; L28-I46 HydrophobicContact CD2-CG1 4.29Å; S29-I46 WeakPolarHBondContact OG-CD1 3.27Å; V42-I46 HydrophobicContact CG1-CD1 3.77Å; V42-I46 HydrophobicContact CG1-CG1 4.41Å; V42-I46 WeakPolarHBondContact O-CB 3.45Å; V42-I46 VanDerWaalsContact O-CG1 3.32Å; V42-I46 WeakPolarHBondContact O-CG1 3.3Å; V42-I46 PolarHBondContact O-N 3.27Å; I46-L48 PolarHBondContact O-N 3Å; I46-F49 PolarHBondContact O-N 3.28Å; I46-F49 VanDerWaalsContact O-N 3.08Å; I46-D50 WeakPolarHBondContact O-CB 3.39Å; I46-D50 PolarHBondContact O-N 3.24Å; I46-I57 HydrophobicContact CG1-CD1 4.18Å; I46-I57 HydrophobicContact CG2-CD1 4.37Å
47A92.4Very high93.5Very high73 Ų7369.6 Ų69.660%0.60335%0.352SS*.Hα-helixtrans-64.9-24.2177.900000113.8N43 E44 W45N43-A47 WeakPolarHBondContact O-CB 3.39Å; N43-A47 PolarHBondContact O-N 3.47Å; E44-A47 PolarHBondContact O-N 3.46Å; W45-A47 VanDerWaalsContact C-N 3.29Å; W45-A47 PolarHBondContact O-N 2.91Å
48L91.6Very high93.5Very high111 Ų11170.7 Ų70.758%0.58136%0.359SS*.Hα-helixtrans-77.7-29.1173-79156.9000112.7E44 W45 I46E44-L48 WeakPolarHBondContact O-CD1 3.36Å; E44-L48 WeakPolarHBondContact O-CG 3.22Å; E44-L48 PolarHBondContact O-N 3.29Å; E44-L48 VanDerWaalsContact O-N 3.16Å; W45-L48 WeakPolarHBondContact O-CB 3.14Å; W45-L48 PolarHBondContact O-N 3.28Å; I46-L48 PolarHBondContact O-N 3Å
49F92.6Very high93.4Very high3 Ų367.1 Ų67.11%0.01334%0.34CS..Hα-helixtrans-94.7-43.4-175.3-53.2-32.5000112.8F8 W45 I46 V51 I57 E61 F62 L66F8-F49 HydrophobicContact CD1-CE2 4.19Å; F8-F49 AromaticContact CE1-CD2 3.85Å; F8-F49 HydrophobicContact CE1-CD2 3.85Å; F8-F49 AromaticContact CE1-CE2 3.36Å; F8-F49 HydrophobicContact CE1-CE2 3.36Å; F8-F49 HydrophobicContact CE1-CZ 4.48Å; F8-F49 HydrophobicContact CZ-CD2 4.06Å; F8-F49 AromaticContact CZ-CE2 3.88Å; F8-F49 HydrophobicContact CZ-CE2 3.88Å; W45-F49 HydrophobicContact CB-CD2 4.41Å; W45-F49 HydrophobicContact CB-CE2 3.69Å; W45-F49 HydrophobicContact CB-CZ 4.11Å; W45-F49 WeakPolarHBondContact O-CD2 3.36Å; W45-F49 WeakPolarHBondContact O-CE2 3.47Å; W45-F49 VanDerWaalsContact O-CG 3.22Å; W45-F49 WeakPolarHBondContact O-CG 3.41Å; W45-F49 PolarHBondContact O-N 2.91Å; W45-F49 VanDerWaalsContact O-N 3.08Å; I46-F49 PolarHBondContact O-N 3.28Å; I46-F49 VanDerWaalsContact O-N 3.08Å; F49-V51 VanDerWaalsContact C-N 3.29Å; F49-V51 PolarHBondContact O-N 2.87Å; F49-I57 HydrophobicContact CB-CD1 4Å; F49-I57 HydrophobicContact CB-CG1 4.15Å; F49-I57 HydrophobicContact CB-CG2 3.89Å; F49-I57 HydrophobicContact CD2-CD1 4.47Å; F49-E61 WeakPolarHBondContact O-CB 3.46Å; F49-F62 HydrophobicContact CD2-CD2 4.27Å; F49-F62 HydrophobicContact CE2-CD2 4.47Å; F49-L66 HydrophobicContact CE1-CD2 3.94Å; F49-L66 HydrophobicContact CE1-CG 3.75Å; F49-L66 HydrophobicContact CZ-CD1 4.07Å; F49-L66 HydrophobicContact CZ-CD2 3.58Å; F49-L66 HydrophobicContact CZ-CG 3.61Å
50D92.8Very high93.3Very high17 Ų1771 Ų719%0.09136%0.357CS..  trans-78.575.9176-177.83.6000109.8T25 I46 K53 D54 Q55 I57T25-D50 HydrophobicContact CG2-CB 4.35Å; I46-D50 WeakPolarHBondContact O-CB 3.39Å; I46-D50 PolarHBondContact O-N 3.24Å; D50-K53 WeakPolarHBondContact OD1-CA 3.41Å; D50-K53 PolarHBondContact OD1-N 3.07Å; D50-D54 PolarHBondContact OD1-N 3.28Å; D50-D54 VanDerWaalsContact OD1-N 3.09Å; D50-Q55 VanDerWaalsContact OD2-CA 3.25Å; D50-Q55 WeakPolarHBondContact OD2-CA 3.27Å; D50-Q55 PolarHBondContact OD2-N 2.73Å; D50-Q55 VanDerWaalsContact OD2-N 3.09Å; D50-I57 HydrophobicContact CB-CG1 4.05Å
51V89.7Confident93.2Very high86 Ų8665 Ų6552%0.52133%0.331SS..SBendtrans-74.8-34.4-171.8175.10000111.5F49 R64F49-V51 VanDerWaalsContact C-N 3.29Å; F49-V51 PolarHBondContact O-N 2.87Å; V51-R64 VanDerWaalsContact CG2-NH2 3.3Å
52D91.5Very high93.2Very high102 Ų10261.5 Ų61.555%0.54532%0.315SS..SBendtrans-85-10.4178.469.55.3000113.6D54D52-D54 VanDerWaalsContact C-N 3.31Å; D52-D54 WeakPolarHBondContact OD1-CB 3.31Å; D52-D54 PolarHBondContact OD1-N 3.27Å
53K90.9Very high93.1Very high173 Ų17361.6 Ų61.675%0.75232%0.316SS*.  trans65.431.9177.8-54.5177.7-179.5175.70112.7D50 Q55D50-K53 WeakPolarHBondContact OD1-CA 3.41Å; D50-K53 PolarHBondContact OD1-N 3.07Å; K53-Q55 PolarHBondContact O-N 2.98Å
54D94.2Very high93Very high70 Ų7064 Ų6437%0.37432%0.318SS..SBendtrans-81.91.5177.889.8-19.3000113.3D50 D52 K56D50-D54 PolarHBondContact OD1-N 3.28Å; D50-D54 VanDerWaalsContact OD1-N 3.09Å; D52-D54 VanDerWaalsContact C-N 3.31Å; D52-D54 WeakPolarHBondContact OD1-CB 3.31Å; D52-D54 PolarHBondContact OD1-N 3.27Å; D54-K56 PolarHBondContact O-N 2.79Å; D54-K56 VanDerWaalsContact OD1-CA 3.3Å; D54-K56 WeakPolarHBondContact OD1-CA 3.37Å; D54-K56 VanDerWaalsContact OD1-CB 3.22Å; D54-K56 WeakPolarHBondContact OD1-CB 3.5Å; D54-K56 PolarHBondContact OD1-N 3.12Å; D54-K56 VanDerWaalsContact OD1-O 3.14Å
55Q94.4Very high92.8Very high137 Ų13761.2 Ų61.264%0.6432%0.316SS*.SBendtrans68.617.5-176.1-59.1174.263.700114T25 D50 K53T25-Q55 WeakPolarHBondContact CB-O 3.25Å; T25-Q55 WeakPolarHBondContact CG2-O 3.44Å; T25-Q55 PolarHBondContact N-O 3.02Å; T25-Q55 PolarHBondContact OG1-O 3.03Å; D50-Q55 VanDerWaalsContact OD2-CA 3.25Å; D50-Q55 WeakPolarHBondContact OD2-CA 3.27Å; D50-Q55 PolarHBondContact OD2-N 2.73Å; D50-Q55 VanDerWaalsContact OD2-N 3.09Å; K53-Q55 PolarHBondContact O-N 2.98Å
56K95.3Very high92.5Very high88 Ų8861.8 Ų61.838%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-126.5156.6172.3-53.9174.5-174.6166.40108.6T22 V23 E24 D54T22-K56 HydrophobicContact CG2-CB 4.48Å; V23-K56 CarbonylContact O-C 3.54Å; V23-K56 WeakPolarHBondContact O-CA 3.41Å; E24-K56 HydrophobicContact CG-CG 4.46Å; D54-K56 PolarHBondContact O-N 2.79Å; D54-K56 VanDerWaalsContact OD1-CA 3.3Å; D54-K56 WeakPolarHBondContact OD1-CA 3.37Å; D54-K56 VanDerWaalsContact OD1-CB 3.22Å; D54-K56 WeakPolarHBondContact OD1-CB 3.5Å; D54-K56 PolarHBondContact OD1-N 3.12Å; D54-K56 VanDerWaalsContact OD1-O 3.14Å
57I94.7Very high92.2Very high0 Ų064.2 Ų64.20%035%0.351CS..EExtended strand (participates in β ladder)trans-123116.2174.9-64.4166.8000106.3Y12 T22 V23 T25 L28 I46 F49 D50 E61 F62Y12-I57 HydrophobicContact CE2-CB 4.09Å; Y12-I57 HydrophobicContact CE2-CG2 3.78Å; Y12-I57 PolarHBondContact OH-O 3Å; T22-I57 CarbonylContact C-O 3.54Å; T22-I57 VanDerWaalsContact CA-O 3.29Å; T22-I57 WeakPolarHBondContact CA-O 3.37Å; V23-I57 PolarHBondContact N-O 2.96Å; V23-I57 PolarHBondContact O-N 3.24Å; T25-I57 HydrophobicContact CG2-CD1 4.06Å; T25-I57 HydrophobicContact CG2-CG1 4.02Å; L28-I57 HydrophobicContact CD2-CD1 3.85Å; I46-I57 HydrophobicContact CG1-CD1 4.18Å; I46-I57 HydrophobicContact CG2-CD1 4.37Å; F49-I57 HydrophobicContact CB-CD1 4Å; F49-I57 HydrophobicContact CB-CG1 4.15Å; F49-I57 HydrophobicContact CB-CG2 3.89Å; F49-I57 HydrophobicContact CD2-CD1 4.47Å; D50-I57 HydrophobicContact CB-CG1 4.05Å; I57-E61 HydrophobicContact CG2-CB 4.46Å; I57-F62 HydrophobicContact CG2-CB 3.84Å
58T93.9Very high92.1Very high43 Ų4362.1 Ų62.126%0.26433%0.33SS..EExtended strand (participates in β ladder)trans-72.6156.3172.364.20000111Y12 E21 T22 E60 E61 F62Y12-T58 VanDerWaalsContact OH-C 3.26Å; Y12-T58 PolarHBondContact OH-O 3.26Å; E21-T58 CarbonylContact O-C 3.59Å; E21-T58 VanDerWaalsContact O-CA 3.3Å; E21-T58 WeakPolarHBondContact O-CA 3.3Å; T22-T58 HydrophobicContact CG2-CG2 3.6Å; T58-E60 PolarHBondContact O-N 3.44Å; T58-E61 WeakPolarHBondContact CB-OE2 3.36Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.5Å; T58-E61 PolarHBondContact N-OE2 3.06Å; T58-E61 PolarHBondContact O-N 2.67Å; T58-E61 VanDerWaalsContact OG1-CB 3.27Å; T58-E61 WeakPolarHBondContact OG1-CB 3.39Å; T58-E61 VanDerWaalsContact OG1-CD 3.3Å; T58-E61 WeakPolarHBondContact OG1-CG 3.45Å; T58-E61 PolarHBondContact OG1-N 3.02Å; T58-E61 VanDerWaalsContact OG1-N 3.07Å; T58-E61 PolarHBondContact OG1-OE2 3.23Å; T58-F62 WeakPolarHBondContact O-CB 3.33Å; T58-F62 PolarHBondContact O-N 3.32Å
59F93.1Very high92Very high10 Ų1062.1 Ų62.14%0.04433%0.325CS..Hα-helixtrans-58.9-33.9173.5-173.5-111.4000113.1Y12 L13 L16 E21 C63 Q70 M73 R74Y12-F59 HydrophobicContact CE1-CD2 4.19Å; Y12-F59 WeakPolarHBondContact OH-CA 3.31Å; Y12-F59 PolarHBondContact OH-N 3.13Å; L13-F59 HydrophobicContact CD2-CE2 4.02Å; L16-F59 HydrophobicContact CD2-CB 4.26Å; L16-F59 HydrophobicContact CD2-CD2 3.48Å; L16-F59 VanDerWaalsContact CD2-CD2 3.48Å; L16-F59 HydrophobicContact CD2-CE2 4.12Å; L16-F59 HydrophobicContact CD2-CG 4.14Å; E21-F59 PolarHBondContact O-N 2.9Å; F59-C63 WeakPolarHBondContact O-CB 3.27Å; F59-C63 PolarHBondContact O-N 3.27Å; F59-C63 VanDerWaalsContact O-N 3.12Å; F59-C63 PolarHBondContact O-SG 3.06Å; F59-Q70 HydrophobicContact CD1-CB 4.38Å; F59-Q70 HydrophobicContact CD1-CG 4.16Å; F59-Q70 HydrophobicContact CE1-CB 3.73Å; F59-Q70 HydrophobicContact CE1-CG 3.95Å; F59-Q70 WeakPolarHBondContact CZ-O 3.29Å; F59-M73 HydrophobicContact CE2-CB 3.91Å; F59-M73 HydrophobicContact CZ-CB 3.58Å; F59-R74 HydrophobicContact CE1-CG 3.74Å; F59-R74 HydrophobicContact CZ-CG 3.75Å
60E92.4Very high91.9Very high120 Ų12065.3 Ų65.356%0.56134%0.34SS*.Hα-helixtrans-67.2-49.4176.1179173.2174.600111.6T58 F62 C63 R64T58-E60 PolarHBondContact O-N 3.44Å; E60-F62 VanDerWaalsContact C-N 3.34Å; E60-F62 PolarHBondContact O-N 2.72Å; E60-C63 PolarHBondContact O-N 3.06Å; E60-R64 VanDerWaalsContact O-CB 3.27Å; E60-R64 WeakPolarHBondContact O-CB 3.43Å; E60-R64 PolarHBondContact O-N 3.39Å
61E93.7Very high91.8Very high17 Ų1770.6 Ų70.68%0.07937%0.368CS..Hα-helixtrans-59.2-45.5178.2-78.8169.5133.400112.4F49 I57 T58 C63 R64 G65F49-E61 WeakPolarHBondContact O-CB 3.46Å; I57-E61 HydrophobicContact CG2-CB 4.46Å; T58-E61 WeakPolarHBondContact CB-OE2 3.36Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.5Å; T58-E61 PolarHBondContact N-OE2 3.06Å; T58-E61 PolarHBondContact O-N 2.67Å; T58-E61 VanDerWaalsContact OG1-CB 3.27Å; T58-E61 WeakPolarHBondContact OG1-CB 3.39Å; T58-E61 VanDerWaalsContact OG1-CD 3.3Å; T58-E61 WeakPolarHBondContact OG1-CG 3.45Å; T58-E61 PolarHBondContact OG1-N 3.02Å; T58-E61 VanDerWaalsContact OG1-N 3.07Å; T58-E61 PolarHBondContact OG1-OE2 3.23Å; E61-C63 PolarHBondContact O-N 3.39Å; E61-R64 PolarHBondContact O-N 3.36Å; E61-G65 PolarHBondContact O-N 2.72Å
62F93.5Very high91.9Very high0 Ų068.2 Ų68.20%035%0.351CS..Hα-helixtrans-56.7-50.1176177.4-95.3000111.7F8 I9 Y12 F49 I57 T58 E60 L66 L68F8-F62 HydrophobicContact CD1-CE2 4.22Å; F8-F62 HydrophobicContact CE1-CD2 4.44Å; F8-F62 AromaticContact CE1-CE2 3.83Å; F8-F62 HydrophobicContact CE1-CE2 3.83Å; I9-F62 HydrophobicContact CB-CZ 4.01Å; I9-F62 HydrophobicContact CG1-CZ 3.81Å; I9-F62 HydrophobicContact CG2-CE1 4.19Å; I9-F62 HydrophobicContact CG2-CZ 3.83Å; Y12-F62 HydrophobicContact CD1-CB 4.45Å; Y12-F62 AromaticContact CD1-CD1 3.71Å; Y12-F62 HydrophobicContact CD1-CD1 3.71Å; Y12-F62 AromaticContact CD1-CD2 3.59Å; Y12-F62 HydrophobicContact CD1-CD2 3.59Å; Y12-F62 AromaticContact CD1-CE1 3.73Å; Y12-F62 HydrophobicContact CD1-CE1 3.73Å; Y12-F62 AromaticContact CD1-CE2 3.59Å; Y12-F62 HydrophobicContact CD1-CE2 3.59Å; Y12-F62 AromaticContact CD1-CG 3.63Å; Y12-F62 HydrophobicContact CD1-CG 3.63Å; Y12-F62 AromaticContact CD1-CZ 3.66Å; Y12-F62 HydrophobicContact CD1-CZ 3.66Å; Y12-F62 AromaticContact CD2-CD2 3.83Å; Y12-F62 HydrophobicContact CD2-CD2 3.83Å; Y12-F62 HydrophobicContact CD2-CE2 4.12Å; Y12-F62 HydrophobicContact CD2-CG 4.4Å; Y12-F62 HydrophobicContact CE1-CB 3.81Å; Y12-F62 AromaticContact CE1-CD1 3.61Å; Y12-F62 HydrophobicContact CE1-CD1 3.61Å; Y12-F62 AromaticContact CE1-CD2 3.82Å; Y12-F62 HydrophobicContact CE1-CD2 3.82Å; Y12-F62 HydrophobicContact CE1-CE1 4.11Å; Y12-F62 HydrophobicContact CE1-CE2 4.28Å; Y12-F62 AromaticContact CE1-CG 3.44Å; Y12-F62 HydrophobicContact CE1-CG 3.44Å; Y12-F62 VanDerWaalsContact CE1-CG 3.44Å; Y12-F62 HydrophobicContact CE1-CZ 4.4Å; Y12-F62 HydrophobicContact CE2-CB 4.25Å; Y12-F62 HydrophobicContact CE2-CD2 4.03Å; Y12-F62 HydrophobicContact CE2-CG 4.23Å; Y12-F62 AromaticContact CG-CD2 3.61Å; Y12-F62 HydrophobicContact CG-CD2 3.61Å; Y12-F62 HydrophobicContact CG-CE1 4.49Å; Y12-F62 AromaticContact CG-CE2 3.52Å; Y12-F62 HydrophobicContact CG-CE2 3.52Å; Y12-F62 HydrophobicContact CG-CG 4.13Å; Y12-F62 AromaticContact CG-CZ 3.99Å; Y12-F62 HydrophobicContact CG-CZ 3.99Å; Y12-F62 AromaticContact CZ-CG 3.78Å; F49-F62 HydrophobicContact CD2-CD2 4.27Å; F49-F62 HydrophobicContact CE2-CD2 4.47Å; I57-F62 HydrophobicContact CG2-CB 3.84Å; T58-F62 WeakPolarHBondContact O-CB 3.33Å; T58-F62 PolarHBondContact O-N 3.32Å; E60-F62 VanDerWaalsContact C-N 3.34Å; E60-F62 PolarHBondContact O-N 2.72Å; F62-L66 HydrophobicContact CD2-CD1 4.48Å; F62-L66 HydrophobicContact CE1-CD1 4.09Å; F62-L66 HydrophobicContact CE2-CD1 3.9Å; F62-L66 HydrophobicContact CZ-CD1 3.68Å; F62-L66 PolarHBondContact O-N 3.37Å; F62-L68 HydrophobicContact CE1-CD1 4.33Å
63C92.6Very high91.9Very high2 Ų263.5 Ų63.51%0.01433%0.326CS..Hα-helixtrans-65.3-42.8179.2-70.70000111.5F59 E60 E61 L66 G67 L68 Q70F59-C63 WeakPolarHBondContact O-CB 3.27Å; F59-C63 PolarHBondContact O-N 3.27Å; F59-C63 VanDerWaalsContact O-N 3.12Å; F59-C63 PolarHBondContact O-SG 3.06Å; E60-C63 PolarHBondContact O-N 3.06Å; E61-C63 PolarHBondContact O-N 3.39Å; C63-L66 PolarHBondContact O-N 2.82Å; C63-G67 PolarHBondContact O-N 3.26Å; C63-L68 HydrophobicContact CB-CB 4.5Å; C63-L68 WeakPolarHBondContact CB-O 3.34Å; C63-L68 PolarHBondContact O-N 3.38Å; C63-Q70 HydrophobicContact CB-CG 3.84Å
64R91.4Very high91.9Very high142 Ų14260.7 Ų60.754%0.53631%0.31SS..Hα-helixtrans-60.6-47.1178.7-178.3-177.868-171.1-3.2111.5V51 E60 E61 L66 G67V51-R64 VanDerWaalsContact CG2-NH2 3.3Å; E60-R64 VanDerWaalsContact O-CB 3.27Å; E60-R64 WeakPolarHBondContact O-CB 3.43Å; E60-R64 PolarHBondContact O-N 3.39Å; E61-R64 PolarHBondContact O-N 3.36Å; R64-L66 PolarHBondContact O-N 3.4Å; R64-G67 PolarHBondContact O-N 3.44Å
65G89Confident91.8Very high41 Ų4161.4 Ų61.442%0.42331%0.314SS..Hα-helixtrans-65.3-24.4-177.400000114E61E61-G65 PolarHBondContact O-N 2.72Å
66L88.8Confident91.7Very high45 Ų4555.1 Ų55.124%0.23628%0.284CS..Hα-helixtrans-103-0.6178-68.1174.8000114M5 I9 F49 F62 C63 R64 L68M5-L66 HydrophobicContact CE-CD2 3.8Å; M5-L66 HydrophobicContact CG-CD2 4.46Å; M5-L66 HydrophobicContact SD-CD1 4.4Å; M5-L66 HydrophobicContact SD-CD2 3.67Å; I9-L66 HydrophobicContact CD1-CD1 3.96Å; I9-L66 HydrophobicContact CG1-CD1 3.7Å; F49-L66 HydrophobicContact CE1-CD2 3.94Å; F49-L66 HydrophobicContact CE1-CG 3.75Å; F49-L66 HydrophobicContact CZ-CD1 4.07Å; F49-L66 HydrophobicContact CZ-CD2 3.58Å; F49-L66 HydrophobicContact CZ-CG 3.61Å; F62-L66 HydrophobicContact CD2-CD1 4.48Å; F62-L66 HydrophobicContact CE1-CD1 4.09Å; F62-L66 HydrophobicContact CE2-CD1 3.9Å; F62-L66 HydrophobicContact CZ-CD1 3.68Å; F62-L66 PolarHBondContact O-N 3.37Å; C63-L66 PolarHBondContact O-N 2.82Å; R64-L66 PolarHBondContact O-N 3.4Å; L66-L68 HydrophobicContact CB-CB 4.47Å; L66-L68 HydrophobicContact CB-CD1 3.56Å; L66-L68 HydrophobicContact CB-CG 3.62Å; L66-L68 HydrophobicContact CD1-CD1 3.63Å; L66-L68 HydrophobicContact CG-CD1 4.25Å; L66-L68 PolarHBondContact O-N 2.86Å
67G88.1Confident91.5Very high69 Ų6951.6 Ų51.671%0.71127%0.268SS*.THydrogen-bonded Turntrans64.223.2-172.900000113.6C63 R64C63-G67 PolarHBondContact O-N 3.26Å; R64-G67 PolarHBondContact O-N 3.44Å
68L89.9Confident91.4Very high29 Ų2955.8 Ų55.815%0.15229%0.291CS..  trans-88.6147.2-177.4-62.7170.7000111I9 F62 C63 L66 M73 P163I9-L68 HydrophobicContact CD1-CD1 4.27Å; F62-L68 HydrophobicContact CE1-CD1 4.33Å; C63-L68 HydrophobicContact CB-CB 4.5Å; C63-L68 WeakPolarHBondContact CB-O 3.34Å; C63-L68 PolarHBondContact O-N 3.38Å; L66-L68 HydrophobicContact CB-CB 4.47Å; L66-L68 HydrophobicContact CB-CD1 3.56Å; L66-L68 HydrophobicContact CB-CG 3.62Å; L66-L68 HydrophobicContact CD1-CD1 3.63Å; L66-L68 HydrophobicContact CG-CD1 4.25Å; L66-L68 PolarHBondContact O-N 2.86Å; L68-M73 HydrophobicContact CB-CG 3.9Å; L68-M73 HydrophobicContact CB-SD 4.45Å; L68-M73 HydrophobicContact CD1-CG 4.15Å; L68-M73 HydrophobicContact CD1-SD 3.81Å; L68-M73 HydrophobicContact CD2-CE 4.38Å; L68-P163 HydrophobicContact CD2-CG 4.23Å
69K90.3Very high91.3Very high111 Ų11154.5 Ų54.548%0.48328%0.282SS..  trans-83125.5174.1-65-178.5-162.3155.20110.4N71 E72 M73K69-N71 VanDerWaalsContact C-N 3.27Å; K69-N71 PolarHBondContact O-N 3.2Å; K69-E72 HydrophobicContact CB-CB 4.27Å; K69-E72 HydrophobicContact CB-CG 4.09Å; K69-E72 HydrophobicContact CD-CG 4.48Å; K69-E72 WeakPolarHBondContact CD-OE1 3.38Å; K69-E72 IonicContact NZ-OE1 3.34Å; K69-E72 PolarHBondContact NZ-OE1 2.96Å; K69-E72 PolarHBondContact O-N 3.12Å; K69-E72 VanDerWaalsContact O-N 3.07Å; K69-M73 PolarHBondContact O-N 3.21Å
70Q90.9Very high91.2Very high70 Ų7054.9 Ų54.933%0.32728%0.284SS..Hα-helixtrans-51.3-44.1178.5-71.9-167.440.600113.1F59 C63 E72 M73 R74F59-Q70 HydrophobicContact CD1-CB 4.38Å; F59-Q70 HydrophobicContact CD1-CG 4.16Å; F59-Q70 HydrophobicContact CE1-CB 3.73Å; F59-Q70 HydrophobicContact CE1-CG 3.95Å; F59-Q70 WeakPolarHBondContact CZ-O 3.29Å; C63-Q70 HydrophobicContact CB-CG 3.84Å; Q70-E72 PolarHBondContact O-N 3.27Å; Q70-M73 PolarHBondContact O-N 3.37Å; Q70-R74 WeakPolarHBondContact O-CG 3.44Å; Q70-R74 PolarHBondContact O-N 3.02Å
71N90.7Very high91Very high127 Ų12751.3 Ų51.368%0.67927%0.266SS*.Hα-helixtrans-64.7-40.1-179.5-69.9-12.7000112.6K69 R74 I75K69-N71 VanDerWaalsContact C-N 3.27Å; K69-N71 PolarHBondContact O-N 3.2Å; N71-R74 PolarHBondContact O-N 3.33Å; N71-I75 WeakPolarHBondContact O-CG1 3.39Å; N71-I75 PolarHBondContact O-N 3.45Å
72E91Very high90.9Very high36 Ų3652.7 Ų52.717%0.16828%0.276CS..Hα-helixtrans-65.7-44.5176.7-65.3-180-168.500109.7K69 Q70 R74 I75 E76 R180K69-E72 HydrophobicContact CB-CB 4.27Å; K69-E72 HydrophobicContact CB-CG 4.09Å; K69-E72 HydrophobicContact CD-CG 4.48Å; K69-E72 WeakPolarHBondContact CD-OE1 3.38Å; K69-E72 IonicContact NZ-OE1 3.34Å; K69-E72 PolarHBondContact NZ-OE1 2.96Å; K69-E72 PolarHBondContact O-N 3.12Å; K69-E72 VanDerWaalsContact O-N 3.07Å; Q70-E72 PolarHBondContact O-N 3.27Å; E72-R74 VanDerWaalsContact C-N 3.32Å; E72-R74 PolarHBondContact O-N 3.24Å; E72-I75 WeakPolarHBondContact O-CB 3.47Å; E72-I75 PolarHBondContact O-N 3.11Å; E72-I75 VanDerWaalsContact O-N 3.1Å; E72-E76 PolarHBondContact O-N 3.26Å; E72-R180 IonicContact OE1-NH1 2.9Å; E72-R180 PolarHBondContact OE1-NH1 2.95Å; E72-R180 IonicContact OE2-CZ 2.61Å; E72-R180 IonicContact OE2-NH1 3.82Å; E72-R180 PolarHBondContact OE2-NH1 2.99Å; E72-R180 IonicContact OE2-NH2 2.84Å
73M91.5Very high90.7Very high3 Ų355.5 Ų55.52%0.01529%0.293CS..Hα-helixtrans-66-30.1178.1-68.9-56.710000113.9I9 L13 F59 L68 K69 Q70 E76 R77I9-M73 HydrophobicContact CG2-SD 4.41Å; L13-M73 HydrophobicContact CD1-SD 4.41Å; F59-M73 HydrophobicContact CE2-CB 3.91Å; F59-M73 HydrophobicContact CZ-CB 3.58Å; L68-M73 HydrophobicContact CB-CG 3.9Å; L68-M73 HydrophobicContact CB-SD 4.45Å; L68-M73 HydrophobicContact CD1-CG 4.15Å; L68-M73 HydrophobicContact CD1-SD 3.81Å; L68-M73 HydrophobicContact CD2-CE 4.38Å; K69-M73 PolarHBondContact O-N 3.21Å; Q70-M73 PolarHBondContact O-N 3.37Å; M73-E76 HydrophobicContact CE-CG 4.01Å; M73-E76 PolarHBondContact O-N 3.41Å; M73-R77 WeakPolarHBondContact O-CB 3.48Å; M73-R77 PolarHBondContact O-N 2.99Å
74R91.8Very high90.4Very high114 Ų11460.8 Ų60.843%0.4332%0.318SS..Hα-helixtrans-65.4-39.7171.6-73.4177.8-169.1-75-1.9111.7F59 Q70 N71 E72 N78F59-R74 HydrophobicContact CE1-CG 3.74Å; F59-R74 HydrophobicContact CZ-CG 3.75Å; Q70-R74 WeakPolarHBondContact O-CG 3.44Å; Q70-R74 PolarHBondContact O-N 3.02Å; N71-R74 PolarHBondContact O-N 3.33Å; E72-R74 VanDerWaalsContact C-N 3.32Å; E72-R74 PolarHBondContact O-N 3.24Å; R74-N78 VanDerWaalsContact O-CG 3.29Å; R74-N78 PolarHBondContact O-N 2.96Å; R74-N78 VanDerWaalsContact O-N 3.09Å
75I91.3Very high90.3Very high86 Ų8657.1 Ų57.144%0.44131%0.314SS..Hα-helixtrans-64.3-47.5175.3-66.5166.7000110.2N71 E72 R77 N78 H79N71-I75 WeakPolarHBondContact O-CG1 3.39Å; N71-I75 PolarHBondContact O-N 3.45Å; E72-I75 WeakPolarHBondContact O-CB 3.47Å; E72-I75 PolarHBondContact O-N 3.11Å; E72-I75 VanDerWaalsContact O-N 3.1Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 3.4Å; I75-N78 WeakPolarHBondContact O-CB 3.42Å; I75-N78 PolarHBondContact O-N 2.66Å; I75-H79 VanDerWaalsContact CG2-CE1 3.46Å; I75-H79 WeakPolarHBondContact CG2-CE1 3.4Å; I75-H79 PolarHBondContact O-N 2.74Å
76E92.2Very high90.3Very high5 Ų558 Ų582%0.02332%0.323CS..Hα-helixtrans-63.3-37.2180-58.7-54.1169.100112.3L13 E72 M73 N78 H79 I80 P103 K106 F164 Q165L13-E76 HydrophobicContact CD1-CB 4.42Å; E72-E76 PolarHBondContact O-N 3.26Å; M73-E76 HydrophobicContact CE-CG 4.01Å; M73-E76 PolarHBondContact O-N 3.41Å; E76-N78 VanDerWaalsContact C-N 3.34Å; E76-N78 PolarHBondContact O-N 3.26Å; E76-H79 WeakPolarHBondContact O-CB 3.47Å; E76-H79 PolarHBondContact O-N 2.88Å; E76-H79 IonicContact OE2-CE1 3.06Å; E76-H79 IonicContact OE2-ND1 3.26Å; E76-H79 PolarHBondContact OE2-ND1 3.24Å; E76-H79 VanDerWaalsContact OE2-ND1 3.11Å; E76-I80 WeakPolarHBondContact O-CG1 3.41Å; E76-I80 PolarHBondContact O-N 3.26Å; E76-P103 WeakPolarHBondContact OE2-CG 3.41Å; E76-K106 IonicContact OE1-NZ 2.96Å; E76-K106 PolarHBondContact OE1-NZ 3.06Å; E76-F164 HydrophobicContact CB-CD2 4.19Å; E76-F164 HydrophobicContact CG-CD2 4Å; E76-Q165 PolarHBondContact OE1-NE2 2.93Å; E76-Q165 VanDerWaalsContact OE1-NE2 3.12Å
77R92Very high90.2Very high14 Ų1465.2 Ų65.25%0.05335%0.347CS..Hα-helixtrans-60.4-42.6172-177.5176.2172.7-126-2.3112.6L13 L16 R17 D18 M73 I75 H79 I80 K81L13-R77 HydrophobicContact CD2-CB 4.34Å; L16-R77 VanDerWaalsContact C-NH2 3.33Å; L16-R77 VanDerWaalsContact O-CZ 3.23Å; L16-R77 PolarHBondContact O-NE 3.11Å; L16-R77 PolarHBondContact O-NH2 3.19Å; R17-R77 PolarHBondContact O-NH2 2.88Å; D18-R77 IonicContact OD1-CZ 2.72Å; D18-R77 IonicContact OD1-NH1 3.61Å; D18-R77 PolarHBondContact OD1-NH1 3.37Å; D18-R77 IonicContact OD1-NH2 3.96Å; D18-R77 PolarHBondContact OD1-NH2 3.04Å; M73-R77 WeakPolarHBondContact O-CB 3.48Å; M73-R77 PolarHBondContact O-N 2.99Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 3.4Å; R77-H79 VanDerWaalsContact C-N 3.29Å; R77-H79 PolarHBondContact O-N 3.08Å; R77-I80 PolarHBondContact O-N 2.83Å; R77-K81 WeakPolarHBondContact O-CG 3.45Å; R77-K81 PolarHBondContact O-N 2.92Å
78N91.8Very high89.9Confident87 Ų8767 Ų6747%0.46534%0.337SS..Hα-helixtrans-62.6-39.4176.4-69.4-15.7000111.1R74 I75 E76 K81 T82R74-N78 VanDerWaalsContact O-CG 3.29Å; R74-N78 PolarHBondContact O-N 2.96Å; R74-N78 VanDerWaalsContact O-N 3.09Å; I75-N78 WeakPolarHBondContact O-CB 3.42Å; I75-N78 PolarHBondContact O-N 2.66Å; E76-N78 VanDerWaalsContact C-N 3.34Å; E76-N78 PolarHBondContact O-N 3.26Å; N78-K81 PolarHBondContact O-N 3.21Å; N78-T82 PolarHBondContact O-N 2.61Å; N78-T82 PolarHBondContact O-OG1 3.32Å; N78-T82 VanDerWaalsContact O-OG1 3.09Å
79H92.3Very high90Very high17 Ų1772.3 Ų72.38%0.07936%0.361CS..Hα-helixtrans-61.4-45.1173.3-63.1152.6000112.5I75 E76 R77 K81 T82 V83 P103 P105 E109I75-H79 VanDerWaalsContact CG2-CE1 3.46Å; I75-H79 WeakPolarHBondContact CG2-CE1 3.4Å; I75-H79 PolarHBondContact O-N 2.74Å; E76-H79 WeakPolarHBondContact O-CB 3.47Å; E76-H79 PolarHBondContact O-N 2.88Å; E76-H79 IonicContact OE2-CE1 3.06Å; E76-H79 IonicContact OE2-ND1 3.26Å; E76-H79 PolarHBondContact OE2-ND1 3.24Å; E76-H79 VanDerWaalsContact OE2-ND1 3.11Å; R77-H79 VanDerWaalsContact C-N 3.29Å; R77-H79 PolarHBondContact O-N 3.08Å; H79-K81 VanDerWaalsContact C-N 3.28Å; H79-K81 PolarHBondContact O-N 3.05Å; H79-T82 WeakPolarHBondContact O-CB 3.21Å; H79-T82 PolarHBondContact O-N 3.32Å; H79-V83 WeakPolarHBondContact O-CG2 3.41Å; H79-V83 PolarHBondContact O-N 2.9Å; H79-V83 VanDerWaalsContact O-N 3.11Å; H79-P103 HydrophobicContact CB-CB 3.76Å; H79-P103 HydrophobicContact CB-CG 3.45Å; H79-P103 VanDerWaalsContact CB-CG 3.45Å; H79-P105 HydrophobicContact CB-CB 4.49Å; H79-P105 HydrophobicContact CB-CG 4.25Å; H79-E109 IonicContact NE2-OE1 2.76Å
80I89.5Confident90.2Very high17 Ų1772.1 Ų72.19%0.08737%0.373CS..Hα-helixtrans-57.8-42.7176.8-69.2166000110.7Q10 L13 E76 R77 V83 Q84Q10-I80 HydrophobicContact CG-CD1 4.23Å; L13-I80 HydrophobicContact CB-CD1 3.86Å; L13-I80 HydrophobicContact CD1-CD1 3.96Å; E76-I80 WeakPolarHBondContact O-CG1 3.41Å; E76-I80 PolarHBondContact O-N 3.26Å; R77-I80 PolarHBondContact O-N 2.83Å; I80-V83 WeakPolarHBondContact O-CB 3.49Å; I80-V83 PolarHBondContact O-N 2.71Å; I80-Q84 WeakPolarHBondContact O-CG 3.36Å; I80-Q84 PolarHBondContact O-N 3.41Å
81K89.7Confident90.5Very high45 Ų4570.8 Ų70.820%0.19637%0.368CS..Hα-helixtrans-67.1-38.2177.4-71.8-178.7177.3-170.90113.7D18 R77 N78 H79 V83 Q84 S85D18-K81 IonicContact OD1-NZ 3.6Å; D18-K81 PolarHBondContact OD1-NZ 3.03Å; D18-K81 IonicContact OD2-NZ 3.93Å; D18-K81 PolarHBondContact OD2-NZ 3.46Å; R77-K81 WeakPolarHBondContact O-CG 3.45Å; R77-K81 PolarHBondContact O-N 2.92Å; N78-K81 PolarHBondContact O-N 3.21Å; H79-K81 VanDerWaalsContact C-N 3.28Å; H79-K81 PolarHBondContact O-N 3.05Å; K81-V83 PolarHBondContact O-N 3.04Å; K81-Q84 PolarHBondContact O-N 3.07Å; K81-S85 WeakPolarHBondContact O-CB 3.47Å; K81-S85 PolarHBondContact O-N 2.76Å; K81-S85 PolarHBondContact O-OG 3.38Å
82T90.3Very high90.8Very high46 Ų4665.3 Ų65.328%0.28234%0.34SS..Hα-helixtrans-58.7-41.5173.8-63.40000110.7N78 H79 S85 G86 R87 P105N78-T82 PolarHBondContact O-N 2.61Å; N78-T82 PolarHBondContact O-OG1 3.32Å; N78-T82 VanDerWaalsContact O-OG1 3.09Å; H79-T82 WeakPolarHBondContact O-CB 3.21Å; H79-T82 PolarHBondContact O-N 3.32Å; T82-S85 PolarHBondContact O-OG 3.24Å; T82-S85 VanDerWaalsContact O-OG 3.04Å; T82-G86 PolarHBondContact O-N 3.12Å; T82-R87 HydrophobicContact CG2-CB 4.07Å; T82-R87 PolarHBondContact O-N 3.16Å; T82-R87 VanDerWaalsContact O-N 3.08Å; T82-P105 HydrophobicContact CG2-CG 3.78Å
83V88.9Confident91Very high59 Ų5971.5 Ų71.536%0.35837%0.369SS..Hα-helixtrans-64.8-48.6174.51770000111.1H79 I80 K81 S85 G86 K104 P105H79-V83 WeakPolarHBondContact O-CG2 3.41Å; H79-V83 PolarHBondContact O-N 2.9Å; H79-V83 VanDerWaalsContact O-N 3.11Å; I80-V83 WeakPolarHBondContact O-CB 3.49Å; I80-V83 PolarHBondContact O-N 2.71Å; K81-V83 PolarHBondContact O-N 3.04Å; V83-S85 VanDerWaalsContact C-N 3.25Å; V83-S85 PolarHBondContact O-N 3.04Å; V83-G86 PolarHBondContact O-N 3.33Å; V83-K104 HydrophobicContact CG2-CB 4.1Å; V83-P105 HydrophobicContact CG2-CG 4.27Å
84Q86.6Confident91.2Very high114 Ų11474 Ų7453%0.53340%0.395SS..Hα-helixtrans-62.3-30.2179.8-72.2172.2-9.600113.8T14 I80 K81 G86T14-Q84 PolarHBondContact OG1-NE2 3.21Å; I80-Q84 WeakPolarHBondContact O-CG 3.36Å; I80-Q84 PolarHBondContact O-N 3.41Å; K81-Q84 PolarHBondContact O-N 3.07Å; Q84-G86 VanDerWaalsContact C-N 3.28Å
85S89.9Confident91.5Very high64 Ų6469.4 Ų69.445%0.44838%0.38SS..THydrogen-bonded Turntrans-83.7-0.1175.761.90000113.9K81 T82 V83 R87K81-S85 WeakPolarHBondContact O-CB 3.47Å; K81-S85 PolarHBondContact O-N 2.76Å; K81-S85 PolarHBondContact O-OG 3.38Å; T82-S85 PolarHBondContact O-OG 3.24Å; T82-S85 VanDerWaalsContact O-OG 3.04Å; V83-S85 VanDerWaalsContact C-N 3.25Å; V83-S85 PolarHBondContact O-N 3.04Å; S85-R87 PolarHBondContact O-N 3.05Å
86G88.2Confident91.8Very high60 Ų6068 Ų6862%0.61938%0.378SS*.THydrogen-bonded Turntrans67.319.8-179.500000114.1T82 V83 Q84 E88T82-G86 PolarHBondContact O-N 3.12Å; V83-G86 PolarHBondContact O-N 3.33Å; Q84-G86 VanDerWaalsContact C-N 3.28Å; G86-E88 VanDerWaalsContact C-N 3.27Å; G86-E88 PolarHBondContact O-N 3.11Å
87R86.8Confident92.1Very high197 Ų19770.2 Ų70.274%0.74339%0.389SS*.  trans-93.423-179.4-65.7-179179.7177.80.5112.7T82 S85T82-R87 HydrophobicContact CG2-CB 4.07Å; T82-R87 PolarHBondContact O-N 3.16Å; T82-R87 VanDerWaalsContact O-N 3.08Å; S85-R87 PolarHBondContact O-N 3.05Å
88E83.1Confident92.3Very high105 Ų10573.1 Ų73.149%0.49141%0.405SS..PPolyproline II helixtrans-69.9145179.857.8-179.4-165.600111.7G86 K104G86-E88 VanDerWaalsContact C-N 3.27Å; G86-E88 PolarHBondContact O-N 3.11Å; E88-K104 HydrophobicContact CB-CG 4.21Å
89Q90.7Very high92.5Very high141 Ų14170.7 Ų70.766%0.65940%0.397SS*.PPolyproline II helixtrans-92152.2173.7-64.4-179.62100109.9V108Q89-V108 HydrophobicContact CB-CG1 4.2Å; Q89-V108 HydrophobicContact CB-CG2 4.28Å; Q89-V108 WeakPolarHBondContact O-CG2 3.43Å
90S94.5Very high92.6Very high107 Ų10771 Ų7175%0.74840%0.402SS*.PPolyproline II helixtrans-66.5151.5170.9-630000110.9
91L97.1Very high92.8Very high42 Ų4270.7 Ų70.722%0.2240%0.4CS..PPolyproline II helixtrans-62.2152.7170-68.5166.1000110.3I97 K104 Q107 V108L91-I97 HydrophobicContact CD1-CD1 4.35Å; L91-I97 HydrophobicContact CD1-CG1 3.66Å; L91-I97 HydrophobicContact CD2-CD1 4.12Å; L91-I97 HydrophobicContact CD2-CG1 4.17Å; L91-K104 VanDerWaalsContact CD1-NZ 3.34Å; L91-K104 VanDerWaalsContact CG-NZ 3.34Å; L91-Q107 HydrophobicContact CD2-CB 4.17Å; L91-V108 HydrophobicContact CD2-CG2 4.23Å
92P96.9Very high93.1Very high12 Ų1268.8 Ų68.88%0.07839%0.392CS..PPolyproline II helixtrans-55.9145.7171.7-21.432.1000111.4G94 V95 T111 Q112 K115P92-G94 PolarHBondContact O-N 3.35Å; P92-V95 HydrophobicContact CB-CG2 3.95Å; P92-V95 HydrophobicContact CG-CG2 4.32Å; P92-V95 WeakPolarHBondContact O-CB 3.44Å; P92-V95 PolarHBondContact O-N 2.98Å; P92-V95 VanDerWaalsContact O-N 3.14Å; P92-T111 WeakPolarHBondContact CD-OG1 3.28Å; P92-Q112 HydrophobicContact CG-CB 3.86Å; P92-K115 HydrophobicContact CB-CD 3.89Å
93E96.3Very high93.2Very high166 Ų16667.5 Ų67.578%0.77639%0.385SS*.THydrogen-bonded Turntrans-56137.1176.8-175.5-175.6-171.400111.6V95 K115E93-V95 VanDerWaalsContact C-N 3.27Å; E93-V95 PolarHBondContact O-N 3.21Å; E93-K115 PolarHBondContact O-NZ 2.74Å
94G96.3Very high93.4Very high56 Ų5667.4 Ų67.458%0.57738%0.379SS*.THydrogen-bonded Turntrans82.2-1.4-179.500000114.5P92P92-G94 PolarHBondContact O-N 3.35Å
95V98.1Very high93.8Very high18 Ų1862.8 Ų62.811%0.10936%0.359CS..EExtended strand (participates in β ladder)trans-94.3131.3176.2176.30000110.6P92 E93 I97 T111 F169 Q170 Y171P92-V95 HydrophobicContact CB-CG2 3.95Å; P92-V95 HydrophobicContact CG-CG2 4.32Å; P92-V95 WeakPolarHBondContact O-CB 3.44Å; P92-V95 PolarHBondContact O-N 2.98Å; P92-V95 VanDerWaalsContact O-N 3.14Å; E93-V95 VanDerWaalsContact C-N 3.27Å; E93-V95 PolarHBondContact O-N 3.21Å; V95-I97 HydrophobicContact CG1-CD1 4.48Å; V95-T111 HydrophobicContact CG1-CG2 3.7Å; V95-F169 HydrophobicContact CG1-CB 4.28Å; V95-F169 HydrophobicContact CG1-CD2 4.16Å; V95-Q170 WeakPolarHBondContact CA-O 3.47Å; V95-Y171 HydrophobicContact CG2-CD2 3.86Å
96S97.6Very high94.1Very high56 Ų5659.8 Ų59.839%0.39234%0.338SS..EExtended strand (participates in β ladder)trans-124.7134166.663.80000110.7F169 Q170S96-F169 CarbonylContact O-C 3.47Å; S96-F169 WeakPolarHBondContact O-CA 3.5Å; S96-F169 VanDerWaalsContact O-CB 3.31Å; S96-F169 WeakPolarHBondContact O-CB 3.28Å; S96-Q170 PolarHBondContact N-O 3.33Å; S96-Q170 PolarHBondContact O-N 3.38Å; S96-Q170 WeakPolarHBondContact OG-CB 3.31Å
97I97.7Very high94.5Very high51 Ų5158.1 Ų58.126%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-82.4129.1175.9-57.4-60.3000108.5L91 V95 Q107 T111 I167 F169L91-I97 HydrophobicContact CD1-CD1 4.35Å; L91-I97 HydrophobicContact CD1-CG1 3.66Å; L91-I97 HydrophobicContact CD2-CD1 4.12Å; L91-I97 HydrophobicContact CD2-CG1 4.17Å; V95-I97 HydrophobicContact CG1-CD1 4.48Å; I97-Q107 HydrophobicContact CD1-CB 4.48Å; I97-T111 HydrophobicContact CD1-CG2 4.1Å; I97-I167 HydrophobicContact CD1-CD1 3.97Å; I97-I167 HydrophobicContact CD1-CG1 4.26Å; I97-F169 HydrophobicContact CD1-CB 3.86Å
98I96Very high95.1Very high75 Ų7549.3 Ų49.339%0.38528%0.282SS..EExtended strand (participates in β ladder)trans-90.7-48.9173.9-62.9162.2000109.5Y155 Q168 Q170 I175I98-Y155 HydrophobicContact CD1-CE1 4.45Å; I98-Y155 WeakPolarHBondContact CG2-OH 3.41Å; I98-Q168 HydrophobicContact CB-CB 4.17Å; I98-Q168 PolarHBondContact N-O 3.16Å; I98-Q170 HydrophobicContact CD1-CB 4.32Å; I98-I175 HydrophobicContact CD1-CB 4.32Å; I98-I175 HydrophobicContact CD1-CD1 4.04Å; I98-I175 HydrophobicContact CD1-CG1 4.08Å; I98-I175 HydrophobicContact CD1-CG2 3.42Å; I98-I175 VanDerWaalsContact CD1-CG2 3.42Å
99A95.3Very high95.7Very high36 Ų3648.5 Ų48.530%0.29828%0.278SS..EExtended strand (participates in β ladder)trans-157.6145.6175.400000109.8I167 Q168A99-I167 CarbonylContact O-C 3.6Å; A99-Q168 HydrophobicContact CB-CB 4.39Å; A99-Q168 PolarHBondContact N-O 3.4Å; A99-Q168 WeakPolarHBondContact O-CA 3.42Å; A99-Q168 WeakPolarHBondContact O-CB 3.34Å; A99-Q168 PolarHBondContact O-N 2.99Å
100S95.5Very high96.1Very high25 Ų2541.8 Ų41.818%0.17525%0.247CC..EExtended strand (participates in β ladder)trans-158.7146.3179-177.30000110.4M102 Q107 S166S100-M102 WeakPolarHBondContact OG-CB 3.4Å; S100-M102 PolarHBondContact OG-N 2.96Å; S100-Q107 PolarHBondContact OG-NE2 3.46Å; S100-S166 WeakPolarHBondContact CA-O 3.46Å; S100-S166 PolarHBondContact OG-O 2.97Å
101T94.2Very high96.3Very high10 Ų1036.7 Ų36.76%0.06121%0.211CC..  trans-104.2-10.3161.961.20000111.5E6 H161 S166E6-T101 WeakPolarHBondContact OE1-CB 3.49Å; E6-T101 PolarHBondContact OE1-OG1 3Å; T101-H161 WeakPolarHBondContact CG2-NE2 3.41Å; T101-H161 PolarHBondContact OG1-NE2 3.41Å; T101-S166 PolarHBondContact N-O 3.03Å; T101-S166 PolarHBondContact OG1-N 3.38Å
102M94.6Very high96.3Very high5 Ų538 Ų383%0.02522%0.216CC..SBendtrans-63.3142.3174.4-65.9-177.9-174.200112S100 K106 Q107 V110 W146 F164 S166 I167S100-M102 WeakPolarHBondContact OG-CB 3.4Å; S100-M102 PolarHBondContact OG-N 2.96Å; M102-K106 HydrophobicContact CB-CB 4.44Å; M102-K106 HydrophobicContact CG-CD 4.31Å; M102-K106 HydrophobicContact SD-CD 4.35Å; M102-K106 HydrophobicContact SD-CG 4.19Å; M102-Q107 HydrophobicContact CB-CG 3.87Å; M102-Q107 PolarHBondContact O-NE2 3.09Å; M102-V110 HydrophobicContact CE-CG2 4.42Å; M102-V110 HydrophobicContact SD-CB 4.37Å; M102-V110 HydrophobicContact SD-CG2 3.98Å; M102-W146 HydrophobicContact CE-CH2 3.43Å; M102-W146 VanDerWaalsContact CE-CH2 3.43Å; M102-W146 HydrophobicContact CE-CZ3 3.75Å; M102-F164 VanDerWaalsContact CG-O 3.23Å; M102-F164 WeakPolarHBondContact CG-O 3.45Å; M102-S166 PolarHBondContact N-O 3Å; M102-I167 HydrophobicContact CE-CB 3.86Å; M102-I167 HydrophobicContact CE-CG2 3.58Å; M102-I167 HydrophobicContact CG-CB 4.37Å; M102-I167 HydrophobicContact SD-CB 3.74Å; M102-I167 HydrophobicContact SD-CD1 4.04Å; M102-I167 HydrophobicContact SD-CG1 4.43Å; M102-I167 HydrophobicContact SD-CG2 3.88Å
103P92.8Very high96.4Very high19 Ų1938 Ų3812%0.12322%0.216CC..  trans-67.1153.7169.429.8-35.7000111.4E76 H79 K106 Q107E76-P103 WeakPolarHBondContact OE2-CG 3.41Å; H79-P103 HydrophobicContact CB-CB 3.76Å; H79-P103 HydrophobicContact CB-CG 3.45Å; H79-P103 VanDerWaalsContact CB-CG 3.45Å; P103-K106 HydrophobicContact CG-CB 4.11Å; P103-K106 WeakPolarHBondContact O-CB 3.23Å; P103-K106 PolarHBondContact O-N 3.03Å; P103-Q107 PolarHBondContact O-N 3.47Å
104K93.8Very high96.4Very high56 Ų5630.1 Ų30.124%0.24318%0.179CC..Hα-helixtrans-52.7-45.6-171.7-171.265.1168.7-167.90114.8V83 E88 L91 K106 Q107 V108V83-K104 HydrophobicContact CG2-CB 4.1Å; E88-K104 HydrophobicContact CB-CG 4.21Å; L91-K104 VanDerWaalsContact CD1-NZ 3.34Å; L91-K104 VanDerWaalsContact CG-NZ 3.34Å; K104-K106 VanDerWaalsContact C-N 3.28Å; K104-K106 PolarHBondContact O-N 3.1Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.3Å; K104-Q107 VanDerWaalsContact O-N 3.11Å; K104-V108 WeakPolarHBondContact O-CG2 3.38Å; K104-V108 PolarHBondContact O-N 3.35Å
105P95.1Very high96.4Very high17 Ų1729 Ų2911%0.1116%0.158CC..Hα-helixtrans-56.7-42.7178-26.136000112.7H79 T82 V83 V108 E109H79-P105 HydrophobicContact CB-CB 4.49Å; H79-P105 HydrophobicContact CB-CG 4.25Å; T82-P105 HydrophobicContact CG2-CG 3.78Å; V83-P105 HydrophobicContact CG2-CG 4.27Å; P105-V108 WeakPolarHBondContact O-CB 3.37Å; P105-V108 PolarHBondContact O-N 2.98Å; P105-E109 PolarHBondContact O-N 3.06Å
106K95.7Very high96.3Very high2 Ų231.8 Ų31.81%0.00917%0.172CC..Hα-helixtrans-69.5-35177.8-164.5176.6-175.5-1790112.6E76 M102 P103 K104 V108 E109 V110E76-K106 IonicContact OE1-NZ 2.96Å; E76-K106 PolarHBondContact OE1-NZ 3.06Å; M102-K106 HydrophobicContact CB-CB 4.44Å; M102-K106 HydrophobicContact CG-CD 4.31Å; M102-K106 HydrophobicContact SD-CD 4.35Å; M102-K106 HydrophobicContact SD-CG 4.19Å; P103-K106 HydrophobicContact CG-CB 4.11Å; P103-K106 WeakPolarHBondContact O-CB 3.23Å; P103-K106 PolarHBondContact O-N 3.03Å; K104-K106 VanDerWaalsContact C-N 3.28Å; K104-K106 PolarHBondContact O-N 3.1Å; K106-V108 VanDerWaalsContact C-N 3.29Å; K106-V108 PolarHBondContact O-N 3.26Å; K106-E109 PolarHBondContact O-N 2.93Å; K106-V110 HydrophobicContact CG-CG2 4.25Å; K106-V110 WeakPolarHBondContact O-CB 3.36Å; K106-V110 VanDerWaalsContact O-CG2 3.28Å; K106-V110 WeakPolarHBondContact O-CG2 3.33Å; K106-V110 PolarHBondContact O-N 3.42Å
107Q97.4Very high96.2Very high25 Ų2529.6 Ų29.612%0.11716%0.156CC..Hα-helixtrans-58.7-43.4171.6-62.7174.516.600110.9L91 I97 S100 M102 P103 K104 T111 I167L91-Q107 HydrophobicContact CD2-CB 4.17Å; I97-Q107 HydrophobicContact CD1-CB 4.48Å; S100-Q107 PolarHBondContact OG-NE2 3.46Å; M102-Q107 HydrophobicContact CB-CG 3.87Å; M102-Q107 PolarHBondContact O-NE2 3.09Å; P103-Q107 PolarHBondContact O-N 3.47Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.3Å; K104-Q107 VanDerWaalsContact O-N 3.11Å; Q107-T111 VanDerWaalsContact O-CB 3.3Å; Q107-T111 WeakPolarHBondContact O-CB 3.47Å; Q107-T111 WeakPolarHBondContact O-CG2 3.48Å; Q107-T111 PolarHBondContact O-N 3.02Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; Q107-I167 HydrophobicContact CB-CD1 4.06Å; Q107-I167 HydrophobicContact CG-CD1 4.04Å
108V97.7Very high96.1Very high12 Ų1228 Ų287%0.07315%0.147CC..Hα-helixtrans-62.3-49.3177.3177.80000110.6Q89 L91 K104 P105 K106 V110 T111 Q112Q89-V108 HydrophobicContact CB-CG1 4.2Å; Q89-V108 HydrophobicContact CB-CG2 4.28Å; Q89-V108 WeakPolarHBondContact O-CG2 3.43Å; L91-V108 HydrophobicContact CD2-CG2 4.23Å; K104-V108 WeakPolarHBondContact O-CG2 3.38Å; K104-V108 PolarHBondContact O-N 3.35Å; P105-V108 WeakPolarHBondContact O-CB 3.37Å; P105-V108 PolarHBondContact O-N 2.98Å; K106-V108 VanDerWaalsContact C-N 3.29Å; K106-V108 PolarHBondContact O-N 3.26Å; V108-V110 PolarHBondContact O-N 3.09Å; V108-T111 PolarHBondContact O-N 3.22Å; V108-T111 PolarHBondContact O-OG1 2.87Å; V108-Q112 WeakPolarHBondContact O-CB 3.03Å; V108-Q112 PolarHBondContact O-N 2.87Å
109E97Very high95.9Very high87 Ų8728.5 Ų28.541%0.40715%0.15SC..Hα-helixtrans-57.6-48.6178.1-70175.6-164.900112.8H79 P105 K106 L113 Y142H79-E109 IonicContact NE2-OE1 2.76Å; P105-E109 PolarHBondContact O-N 3.06Å; K106-E109 PolarHBondContact O-N 2.93Å; E109-L113 WeakPolarHBondContact O-CB 3.43Å; E109-L113 PolarHBondContact O-N 2.88Å; E109-Y142 PolarHBondContact OE2-OH 3.5Å
110V98.2Very high95.6Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-68.9-41.6-175.9168.90000111.6M102 K106 V108 L113 F114 F134 L138 Y142 I167M102-V110 HydrophobicContact CE-CG2 4.42Å; M102-V110 HydrophobicContact SD-CB 4.37Å; M102-V110 HydrophobicContact SD-CG2 3.98Å; K106-V110 HydrophobicContact CG-CG2 4.25Å; K106-V110 WeakPolarHBondContact O-CB 3.36Å; K106-V110 VanDerWaalsContact O-CG2 3.28Å; K106-V110 WeakPolarHBondContact O-CG2 3.33Å; K106-V110 PolarHBondContact O-N 3.42Å; V108-V110 PolarHBondContact O-N 3.09Å; V110-L113 PolarHBondContact O-N 2.99Å; V110-F114 PolarHBondContact O-N 3.46Å; V110-F114 VanDerWaalsContact O-N 3.08Å; V110-F134 HydrophobicContact CG1-CE2 4.14Å; V110-F134 HydrophobicContact CG1-CZ 3.66Å; V110-F134 WeakPolarHBondContact O-CE2 3.21Å; V110-L138 HydrophobicContact CG1-CD2 4.04Å; V110-L138 HydrophobicContact CG2-CD2 4.02Å; V110-Y142 HydrophobicContact CG2-CE2 3.79Å; V110-I167 HydrophobicContact CG1-CD1 4.41Å; V110-I167 HydrophobicContact CG1-CG2 4.04Å
111T98.5Very high94.9Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-73.9-34.1179.756.20000112.1P92 V95 I97 Q107 V108 F114 K115 I167 F169P92-T111 WeakPolarHBondContact CD-OG1 3.28Å; V95-T111 HydrophobicContact CG1-CG2 3.7Å; I97-T111 HydrophobicContact CD1-CG2 4.1Å; Q107-T111 VanDerWaalsContact O-CB 3.3Å; Q107-T111 WeakPolarHBondContact O-CB 3.47Å; Q107-T111 WeakPolarHBondContact O-CG2 3.48Å; Q107-T111 PolarHBondContact O-N 3.02Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; V108-T111 PolarHBondContact O-N 3.22Å; V108-T111 PolarHBondContact O-OG1 2.87Å; T111-F114 PolarHBondContact O-N 3.21Å; T111-K115 WeakPolarHBondContact O-CB 3.42Å; T111-K115 PolarHBondContact O-N 3.09Å; T111-I167 HydrophobicContact CG2-CD1 3.88Å; T111-F169 HydrophobicContact CG2-CB 4.3Å; T111-F169 HydrophobicContact CG2-CD1 3.92Å; T111-F169 HydrophobicContact CG2-CD2 3.98Å; T111-F169 HydrophobicContact CG2-CE1 4.2Å; T111-F169 HydrophobicContact CG2-CE2 4.25Å; T111-F169 HydrophobicContact CG2-CG 3.8Å; T111-F169 HydrophobicContact CG2-CZ 4.36Å
112Q98Very high94Very high70 Ų7043.1 Ų43.133%0.32721%0.209SC..Hα-helixtrans-64.3-45.2172.2-173.761.154.300110.7P92 V108 F114 K115 D116P92-Q112 HydrophobicContact CG-CB 3.86Å; V108-Q112 WeakPolarHBondContact O-CB 3.03Å; V108-Q112 PolarHBondContact O-N 2.87Å; Q112-F114 VanDerWaalsContact C-N 3.32Å; Q112-F114 PolarHBondContact O-N 2.87Å; Q112-K115 WeakPolarHBondContact O-CB 3.04Å; Q112-K115 PolarHBondContact O-N 2.97Å; Q112-K115 VanDerWaalsContact O-N 3.14Å; Q112-D116 PolarHBondContact NE2-OD1 3.11Å; Q112-D116 VanDerWaalsContact O-CG 3.23Å; Q112-D116 PolarHBondContact O-N 2.96Å
113L98.2Very high92.9Very high12 Ų1253.5 Ų53.56%0.06325%0.254CS..Hα-helixtrans-55.3-46.1174.9172.264000112E109 V110 D116 I117 F134 E137 L138E109-L113 WeakPolarHBondContact O-CB 3.43Å; E109-L113 PolarHBondContact O-N 2.88Å; V110-L113 PolarHBondContact O-N 2.99Å; L113-D116 PolarHBondContact O-N 3.23Å; L113-I117 HydrophobicContact CD1-CD1 3.8Å; L113-I117 HydrophobicContact CD1-CG1 4.36Å; L113-I117 HydrophobicContact CG-CD1 4.04Å; L113-I117 WeakPolarHBondContact O-CD1 3.49Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 3.24Å; L113-I117 VanDerWaalsContact O-N 3.16Å; L113-F134 HydrophobicContact CB-CE2 4.41Å; L113-F134 HydrophobicContact CD2-CD2 4.05Å; L113-F134 HydrophobicContact CD2-CE2 3.95Å; L113-F134 HydrophobicContact CG-CD2 4.01Å; L113-F134 HydrophobicContact CG-CE2 4.04Å; L113-E137 HydrophobicContact CD1-CB 4.09Å; L113-E137 HydrophobicContact CD1-CG 4.18Å; L113-E137 HydrophobicContact CD2-CB 3.8Å; L113-E137 HydrophobicContact CG-CB 4.41Å; L113-L138 HydrophobicContact CD2-CD2 4.33Å
114F97.9Very high92.1Very high1 Ų159.7 Ų59.70%0.00429%0.286CS..Hα-helixtrans-62.8-45.4176.5-179.5-92.9000111.9V110 T111 Q112 D116 I117 Y118 M127 V130 F134 F169 Y171 I176V110-F114 PolarHBondContact O-N 3.46Å; V110-F114 VanDerWaalsContact O-N 3.08Å; T111-F114 PolarHBondContact O-N 3.21Å; Q112-F114 VanDerWaalsContact C-N 3.32Å; Q112-F114 PolarHBondContact O-N 2.87Å; F114-D116 VanDerWaalsContact C-N 3.33Å; F114-D116 PolarHBondContact O-N 3.08Å; F114-I117 PolarHBondContact O-N 3Å; F114-Y118 HydrophobicContact CE1-CD2 4.04Å; F114-Y118 HydrophobicContact CE1-CG 4.36Å; F114-Y118 AromaticContact CZ-CD2 3.99Å; F114-Y118 HydrophobicContact CZ-CD2 3.99Å; F114-Y118 WeakPolarHBondContact O-CB 3.21Å; F114-Y118 PolarHBondContact O-N 2.82Å; F114-M127 HydrophobicContact CZ-CE 4.33Å; F114-V130 HydrophobicContact CD2-CG1 4.44Å; F114-V130 HydrophobicContact CE2-CG1 3.67Å; F114-V130 HydrophobicContact CZ-CG1 3.99Å; F114-F134 HydrophobicContact CB-CD2 4.07Å; F114-F134 HydrophobicContact CB-CE1 4.4Å; F114-F134 HydrophobicContact CB-CE2 3.74Å; F114-F134 HydrophobicContact CB-CZ 3.91Å; F114-F134 HydrophobicContact CD2-CB 4.32Å; F114-F134 AromaticContact CD2-CD1 3.7Å; F114-F134 HydrophobicContact CD2-CD1 3.7Å; F114-F134 HydrophobicContact CD2-CD2 4.22Å; F114-F134 AromaticContact CD2-CE1 3.95Å; F114-F134 HydrophobicContact CD2-CE1 3.95Å; F114-F134 HydrophobicContact CD2-CE2 4.44Å; F114-F134 AromaticContact CD2-CG 3.84Å; F114-F134 HydrophobicContact CD2-CG 3.84Å; F114-F134 HydrophobicContact CD2-CZ 4.31Å; F114-F134 HydrophobicContact CE2-CD1 4.43Å; F114-F169 HydrophobicContact CB-CE2 4.04Å; F114-F169 HydrophobicContact CB-CZ 3.61Å; F114-F169 AromaticContact CD1-CE2 3.62Å; F114-F169 HydrophobicContact CD1-CE2 3.62Å; F114-F169 AromaticContact CD1-CZ 3.89Å; F114-F169 HydrophobicContact CD1-CZ 3.89Å; F114-F169 HydrophobicContact CD2-CZ 4.14Å; F114-F169 HydrophobicContact CE1-CE2 4.3Å; F114-F169 AromaticContact CG-CE2 3.84Å; F114-F169 HydrophobicContact CG-CE2 3.84Å; F114-F169 AromaticContact CG-CZ 3.59Å; F114-F169 HydrophobicContact CG-CZ 3.59Å; F114-Y171 HydrophobicContact CD1-CD1 4.28Å; F114-Y171 AromaticContact CE1-CD1 3.98Å; F114-Y171 HydrophobicContact CE1-CD1 3.98Å; F114-I176 HydrophobicContact CD1-CG1 4.26Å; F114-I176 HydrophobicContact CD2-CD1 4.5Å; F114-I176 HydrophobicContact CD2-CG1 4.22Å; F114-I176 HydrophobicContact CD2-CG2 4.31Å; F114-I176 HydrophobicContact CE1-CD1 3.99Å; F114-I176 HydrophobicContact CE1-CG1 3.75Å; F114-I176 HydrophobicContact CE2-CD1 3.55Å; F114-I176 HydrophobicContact CE2-CG1 3.7Å; F114-I176 HydrophobicContact CE2-CG2 4.24Å; F114-I176 HydrophobicContact CG-CG1 4.48Å; F114-I176 HydrophobicContact CZ-CD1 3.25Å; F114-I176 HydrophobicContact CZ-CG1 3.47Å; F114-I176 VanDerWaalsContact CZ-CG1 3.47Å
115K95.9Very high91.4Very high33 Ų3357.7 Ų57.714%0.14328%0.278CS..Hα-helixtrans-58.6-43.9179.2177.3168.7-177.21770111.7P92 E93 T111 Q112 Y118 N119 Y171P92-K115 HydrophobicContact CB-CD 3.89Å; E93-K115 PolarHBondContact O-NZ 2.74Å; T111-K115 WeakPolarHBondContact O-CB 3.42Å; T111-K115 PolarHBondContact O-N 3.09Å; Q112-K115 WeakPolarHBondContact O-CB 3.04Å; Q112-K115 PolarHBondContact O-N 2.97Å; Q112-K115 VanDerWaalsContact O-N 3.14Å; K115-Y118 PolarHBondContact O-N 2.9Å; K115-N119 WeakPolarHBondContact CG-ND2 3.46Å; K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 2.92Å; K115-N119 PolarHBondContact O-ND2 3.34Å; K115-N119 VanDerWaalsContact O-ND2 3.16Å; K115-Y171 HydrophobicContact CB-CE2 4.48Å; K115-Y171 HydrophobicContact CD-CE2 3.78Å; K115-Y171 HydrophobicContact CG-CE1 4.33Å; K115-Y171 HydrophobicContact CG-CE2 3.92Å
116D95.7Very high91.1Very high75 Ų7561 Ų6140%0.40130%0.295SS..Hα-helixtrans-62.3-49.9178.3-64.5-20000110.7Q112 L113 F114 Y118 N119 E120Q112-D116 PolarHBondContact NE2-OD1 3.11Å; Q112-D116 VanDerWaalsContact O-CG 3.23Å; Q112-D116 PolarHBondContact O-N 2.96Å; L113-D116 PolarHBondContact O-N 3.23Å; F114-D116 VanDerWaalsContact C-N 3.33Å; F114-D116 PolarHBondContact O-N 3.08Å; D116-Y118 VanDerWaalsContact C-N 3.34Å; D116-Y118 PolarHBondContact O-N 2.81Å; D116-N119 PolarHBondContact O-N 3.48Å; D116-E120 WeakPolarHBondContact O-CG 3.39Å; D116-E120 PolarHBondContact O-N 3.05Å
117I95.9Very high91Very high11 Ų1162.6 Ų62.66%0.05630%0.303CS..Hα-helixtrans-60.9-41.9177.6-64.7165.5000111.4L113 F114 V130 T133 F134 E137L113-I117 HydrophobicContact CD1-CD1 3.8Å; L113-I117 HydrophobicContact CD1-CG1 4.36Å; L113-I117 HydrophobicContact CG-CD1 4.04Å; L113-I117 WeakPolarHBondContact O-CD1 3.49Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 3.24Å; L113-I117 VanDerWaalsContact O-N 3.16Å; F114-I117 PolarHBondContact O-N 3Å; I117-V130 HydrophobicContact CG2-CB 4.49Å; I117-V130 HydrophobicContact CG2-CG1 4.1Å; I117-T133 HydrophobicContact CD1-CG2 4.05Å; I117-T133 HydrophobicContact CG1-CG2 4.24Å; I117-T133 HydrophobicContact CG2-CG2 4.01Å; I117-F134 HydrophobicContact CD1-CB 4.04Å; I117-F134 HydrophobicContact CD1-CD2 4.12Å; I117-E137 HydrophobicContact CD1-CG 4.43Å
118Y94.6Very high90.8Very high16 Ų1667.9 Ų67.96%0.06333%0.332CS..Hα-helixtrans-63.9-42.4179.6-172.9-88.7000111.5F114 K115 D116 V121 P125 M127 V130 Y171 D172 K174F114-Y118 HydrophobicContact CE1-CD2 4.04Å; F114-Y118 HydrophobicContact CE1-CG 4.36Å; F114-Y118 AromaticContact CZ-CD2 3.99Å; F114-Y118 HydrophobicContact CZ-CD2 3.99Å; F114-Y118 WeakPolarHBondContact O-CB 3.21Å; F114-Y118 PolarHBondContact O-N 2.82Å; K115-Y118 PolarHBondContact O-N 2.9Å; D116-Y118 VanDerWaalsContact C-N 3.34Å; D116-Y118 PolarHBondContact O-N 2.81Å; Y118-V121 PolarHBondContact O-N 3.28Å; Y118-V121 VanDerWaalsContact O-O 3.11Å; Y118-P125 HydrophobicContact CD1-CG 4.28Å; Y118-P125 HydrophobicContact CD2-CB 4.39Å; Y118-P125 HydrophobicContact CD2-CG 4.33Å; Y118-P125 HydrophobicContact CE1-CG 4.02Å; Y118-P125 HydrophobicContact CE2-CB 4.23Å; Y118-P125 HydrophobicContact CE2-CG 4.02Å; Y118-P125 HydrophobicContact CG-CG 4.48Å; Y118-M127 HydrophobicContact CD2-CE 4.44Å; Y118-M127 HydrophobicContact CD2-SD 4.06Å; Y118-M127 HydrophobicContact CE2-CE 4.3Å; Y118-M127 HydrophobicContact CE2-SD 3.61Å; Y118-V130 HydrophobicContact CD2-CG1 4.36Å; Y118-Y171 HydrophobicContact CD1-CD1 4.12Å; Y118-Y171 AromaticContact CD1-CE1 3.52Å; Y118-Y171 HydrophobicContact CD1-CE1 3.52Å; Y118-Y171 HydrophobicContact CE1-CD1 4.44Å; Y118-Y171 HydrophobicContact CE1-CE1 4Å; Y118-Y171 HydrophobicContact CG-CD1 4.2Å; Y118-Y171 AromaticContact CG-CE1 3.93Å; Y118-Y171 HydrophobicContact CG-CE1 3.93Å; Y118-D172 PolarHBondContact OH-OD2 2.67Å; Y118-K174 HydrophobicContact CE2-CG 4.22Å
119N92.1Very high90.7Very high86 Ų8673.3 Ų73.346%0.4636%0.355SS..Hα-helixtrans-78.2-21.5-177.3-66.6-23.5000113.4K115 D116 V121 Y171K115-N119 WeakPolarHBondContact CG-ND2 3.46Å; K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 2.92Å; K115-N119 PolarHBondContact O-ND2 3.34Å; K115-N119 VanDerWaalsContact O-ND2 3.16Å; D116-N119 PolarHBondContact O-N 3.48Å; N119-V121 VanDerWaalsContact C-N 3.25Å; N119-Y171 PolarHBondContact ND2-OH 3.44Å; N119-Y171 PolarHBondContact OD1-OH 3.27Å
120E89.3Confident90.7Very high154 Ų15469.2 Ų69.272%0.7234%0.336SS*.Hα-helixtrans-65.3-31.1170.7-79.8178.6-170.900112.2D116D116-E120 WeakPolarHBondContact O-CG 3.39Å; D116-E120 PolarHBondContact O-N 3.05Å
121V81Confident90.6Very high37 Ų3770.4 Ų70.422%0.22434%0.343CS..SBendtrans-83.4126.8172.6-158.70000107.8Y118 N119 P125 V130Y118-V121 PolarHBondContact O-N 3.28Å; Y118-V121 VanDerWaalsContact O-O 3.11Å; N119-V121 VanDerWaalsContact C-N 3.25Å; V121-P125 HydrophobicContact CB-CB 3.86Å; V121-P125 HydrophobicContact CB-CG 4.3Å; V121-P125 HydrophobicContact CG1-CB 4.09Å; V121-V130 HydrophobicContact CB-CG2 4.44Å; V121-V130 HydrophobicContact CG2-CG2 3.74Å
122K75.5Confident90.5Very high187 Ų18777.7 Ų77.781%0.81338%0.375SS*.  trans-56.3177.1-176.4-62.2-179.5-179.7178.70111.9D124 P125K122-D124 CarbonylContact O-C 3.24Å; K122-D124 VanDerWaalsContact O-C 3.24Å; K122-D124 PolarHBondContact O-N 2.66Å; K122-P125 VanDerWaalsContact O-CD 3.31Å; K122-P125 WeakPolarHBondContact O-CD 3.4Å
123K71.5Confident90.5Very high224 Ų22477 Ų7797%0.97438%0.376SS*.SBendtrans-30.7-28.2-176.3-84.9-172174.4-176.60119.1
124D75.1Confident90.5Very high148 Ų14876.5 Ų76.579%0.79137%0.373SS*.SBendtrans-121.888.8168.9-171.421.6000110K122 D126K122-D124 CarbonylContact O-C 3.24Å; K122-D124 VanDerWaalsContact O-C 3.24Å; K122-D124 PolarHBondContact O-N 2.66Å; D124-D126 PolarHBondContact O-N 3.11Å
125P79.2Confident90.5Very high14 Ų1479.5 Ų79.59%0.09139%0.386CS..  trans-62.8123.4179.1-2737.5000112Y118 V121 K122 M127 V130Y118-P125 HydrophobicContact CD1-CG 4.28Å; Y118-P125 HydrophobicContact CD2-CB 4.39Å; Y118-P125 HydrophobicContact CD2-CG 4.33Å; Y118-P125 HydrophobicContact CE1-CG 4.02Å; Y118-P125 HydrophobicContact CE2-CB 4.23Å; Y118-P125 HydrophobicContact CE2-CG 4.02Å; Y118-P125 HydrophobicContact CG-CG 4.48Å; V121-P125 HydrophobicContact CB-CB 3.86Å; V121-P125 HydrophobicContact CB-CG 4.3Å; V121-P125 HydrophobicContact CG1-CB 4.09Å; K122-P125 VanDerWaalsContact O-CD 3.31Å; K122-P125 WeakPolarHBondContact O-CD 3.4Å; P125-M127 VanDerWaalsContact C-N 3.32Å; P125-M127 HydrophobicContact CB-SD 4.22Å; P125-M127 PolarHBondContact O-N 2.96Å; P125-V130 HydrophobicContact CB-CG2 3.96Å
126D89.9Confident90.6Very high86 Ų8680.8 Ų80.846%0.4640%0.399SS..  trans-62.298.1163.4176.30.8000108.7D124 N128 K129 V130D124-D126 PolarHBondContact O-N 3.11Å; D126-N128 PolarHBondContact O-N 3.41Å; D126-N128 WeakPolarHBondContact OD1-CB 3.35Å; D126-N128 PolarHBondContact OD1-N 3.06Å; D126-K129 HydrophobicContact CB-CB 4.09Å; D126-K129 WeakPolarHBondContact O-CA 3.42Å; D126-K129 WeakPolarHBondContact O-CB 3.44Å; D126-K129 PolarHBondContact O-N 2.92Å; D126-K129 PolarHBondContact OD1-N 3.44Å; D126-V130 PolarHBondContact O-N 3.36Å
127M93.5Very high90.7Very high37 Ų3779.4 Ų79.418%0.18239%0.39CS..Hα-helixtrans-62.6-27.3-175.3-70.5-54.1-5400112.9F114 Y118 P125 K129 V130 V131 A150 K174F114-M127 HydrophobicContact CZ-CE 4.33Å; Y118-M127 HydrophobicContact CD2-CE 4.44Å; Y118-M127 HydrophobicContact CD2-SD 4.06Å; Y118-M127 HydrophobicContact CE2-CE 4.3Å; Y118-M127 HydrophobicContact CE2-SD 3.61Å; P125-M127 VanDerWaalsContact C-N 3.32Å; P125-M127 HydrophobicContact CB-SD 4.22Å; P125-M127 PolarHBondContact O-N 2.96Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-V130 HydrophobicContact CE-CB 4.33Å; M127-V130 HydrophobicContact CE-CG1 4.19Å; M127-V130 PolarHBondContact O-N 3.14Å; M127-V130 HydrophobicContact SD-CB 4.47Å; M127-V130 HydrophobicContact SD-CG2 4.49Å; M127-V131 HydrophobicContact CE-CG2 4.41Å; M127-V131 VanDerWaalsContact O-CB 3.31Å; M127-V131 WeakPolarHBondContact O-CB 3.49Å; M127-V131 WeakPolarHBondContact O-CG2 3.25Å; M127-V131 PolarHBondContact O-N 3.49Å; M127-A150 HydrophobicContact CE-CB 3.64Å; M127-K174 HydrophobicContact CE-CG 4.3Å; M127-K174 HydrophobicContact SD-CG 4.42Å
128N93.2Very high90.8Very high136 Ų13678.9 Ų78.973%0.72739%0.388SS*.Hα-helixtrans-65.7-41.4174.1-70-45.1000110.4D126 K132D126-N128 PolarHBondContact O-N 3.41Å; D126-N128 WeakPolarHBondContact OD1-CB 3.35Å; D126-N128 PolarHBondContact OD1-N 3.06Å; N128-K132 WeakPolarHBondContact O-CB 3.31Å; N128-K132 PolarHBondContact O-N 2.91Å
129K94.2Very high90.9Very high126 Ų12680.7 Ų80.755%0.54840%0.396SS..Hα-helixtrans-66.1-46.5174.4-172.3-179.9178.2-175.20111.3D126 M127 K132 T133D126-K129 HydrophobicContact CB-CB 4.09Å; D126-K129 WeakPolarHBondContact O-CA 3.42Å; D126-K129 WeakPolarHBondContact O-CB 3.44Å; D126-K129 PolarHBondContact O-N 2.92Å; D126-K129 PolarHBondContact OD1-N 3.44Å; M127-K129 VanDerWaalsContact C-N 3.33Å; K129-K132 PolarHBondContact O-N 2.9Å; K129-T133 WeakPolarHBondContact O-CB 3.16Å; K129-T133 PolarHBondContact O-N 3.22Å; K129-T133 PolarHBondContact O-OG1 2.81Å
130V96.5Very high91.1Very high0 Ų084.2 Ų84.20%040%0.403CS..Hα-helixtrans-57.5-52.7178.9172.30000111F114 I117 Y118 V121 P125 D126 M127 K132 T133 F134F114-V130 HydrophobicContact CD2-CG1 4.44Å; F114-V130 HydrophobicContact CE2-CG1 3.67Å; F114-V130 HydrophobicContact CZ-CG1 3.99Å; I117-V130 HydrophobicContact CG2-CB 4.49Å; I117-V130 HydrophobicContact CG2-CG1 4.1Å; Y118-V130 HydrophobicContact CD2-CG1 4.36Å; V121-V130 HydrophobicContact CB-CG2 4.44Å; V121-V130 HydrophobicContact CG2-CG2 3.74Å; P125-V130 HydrophobicContact CB-CG2 3.96Å; D126-V130 PolarHBondContact O-N 3.36Å; M127-V130 HydrophobicContact CE-CB 4.33Å; M127-V130 HydrophobicContact CE-CG1 4.19Å; M127-V130 PolarHBondContact O-N 3.14Å; M127-V130 HydrophobicContact SD-CB 4.47Å; M127-V130 HydrophobicContact SD-CG2 4.49Å; V130-K132 PolarHBondContact O-N 3.49Å; V130-T133 PolarHBondContact O-N 2.88Å; V130-F134 VanDerWaalsContact O-CB 3.28Å; V130-F134 WeakPolarHBondContact O-CB 3.18Å; V130-F134 PolarHBondContact O-N 2.83Å
131V97Very high91.4Very high26 Ų2682.4 Ų82.416%0.15839%0.39CS..Hα-helixtrans-63.5-40.7-178.7165.60000111.5M127 F134 K135 V148 A150M127-V131 HydrophobicContact CE-CG2 4.41Å; M127-V131 VanDerWaalsContact O-CB 3.31Å; M127-V131 WeakPolarHBondContact O-CB 3.49Å; M127-V131 WeakPolarHBondContact O-CG2 3.25Å; M127-V131 PolarHBondContact O-N 3.49Å; V131-F134 PolarHBondContact O-N 3.45Å; V131-K135 VanDerWaalsContact O-CB 3.3Å; V131-K135 WeakPolarHBondContact O-CB 3.36Å; V131-K135 PolarHBondContact O-N 3.28Å; V131-V148 HydrophobicContact CB-CG1 4.36Å; V131-V148 HydrophobicContact CG1-CB 3.89Å; V131-V148 HydrophobicContact CG1-CG1 3.64Å; V131-V148 WeakPolarHBondContact CG1-O 3.36Å; V131-V148 HydrophobicContact CG2-CG1 4.34Å; V131-A150 HydrophobicContact CG2-CB 3.53Å
132K97Very high92Very high153 Ų15382 Ų8267%0.66539%0.385SS*.Hα-helixtrans-63.9-47.8176.9-175.4177.8179.9179.90111.8N128 K129 V130 K135 S136N128-K132 WeakPolarHBondContact O-CB 3.31Å; N128-K132 PolarHBondContact O-N 2.91Å; K129-K132 PolarHBondContact O-N 2.9Å; V130-K132 PolarHBondContact O-N 3.49Å; K132-K135 PolarHBondContact O-N 3.11Å; K132-S136 PolarHBondContact O-N 3.31Å; K132-S136 PolarHBondContact O-OG 2.93Å
133T97.4Very high92.8Very high56 Ų5673.9 Ų73.934%0.34435%0.354SS..Hα-helixtrans-62.7-44.9177.6-58.70000111I117 K129 V130 S136 E137I117-T133 HydrophobicContact CD1-CG2 4.05Å; I117-T133 HydrophobicContact CG1-CG2 4.24Å; I117-T133 HydrophobicContact CG2-CG2 4.01Å; K129-T133 WeakPolarHBondContact O-CB 3.16Å; K129-T133 PolarHBondContact O-N 3.22Å; K129-T133 PolarHBondContact O-OG1 2.81Å; V130-T133 PolarHBondContact O-N 2.88Å; T133-S136 PolarHBondContact O-N 2.83Å; T133-E137 PolarHBondContact O-N 3.41Å
134F98.2Very high93.8Very high0 Ų072.6 Ų72.60%034%0.343CS..Hα-helixtrans-61.8-45.9178.2-178.9-128.3000111.8V110 L113 F114 I117 V130 V131 S136 E137 L138 V148 F169 I176 A178V110-F134 HydrophobicContact CG1-CE2 4.14Å; V110-F134 HydrophobicContact CG1-CZ 3.66Å; V110-F134 WeakPolarHBondContact O-CE2 3.21Å; L113-F134 HydrophobicContact CB-CE2 4.41Å; L113-F134 HydrophobicContact CD2-CD2 4.05Å; L113-F134 HydrophobicContact CD2-CE2 3.95Å; L113-F134 HydrophobicContact CG-CD2 4.01Å; L113-F134 HydrophobicContact CG-CE2 4.04Å; F114-F134 HydrophobicContact CB-CD2 4.07Å; F114-F134 HydrophobicContact CB-CE1 4.4Å; F114-F134 HydrophobicContact CB-CE2 3.74Å; F114-F134 HydrophobicContact CB-CZ 3.91Å; F114-F134 HydrophobicContact CD2-CB 4.32Å; F114-F134 AromaticContact CD2-CD1 3.7Å; F114-F134 HydrophobicContact CD2-CD1 3.7Å; F114-F134 HydrophobicContact CD2-CD2 4.22Å; F114-F134 AromaticContact CD2-CE1 3.95Å; F114-F134 HydrophobicContact CD2-CE1 3.95Å; F114-F134 HydrophobicContact CD2-CE2 4.44Å; F114-F134 AromaticContact CD2-CG 3.84Å; F114-F134 HydrophobicContact CD2-CG 3.84Å; F114-F134 HydrophobicContact CD2-CZ 4.31Å; F114-F134 HydrophobicContact CE2-CD1 4.43Å; I117-F134 HydrophobicContact CD1-CB 4.04Å; I117-F134 HydrophobicContact CD1-CD2 4.12Å; V130-F134 VanDerWaalsContact O-CB 3.28Å; V130-F134 WeakPolarHBondContact O-CB 3.18Å; V130-F134 PolarHBondContact O-N 2.83Å; V131-F134 PolarHBondContact O-N 3.45Å; F134-S136 PolarHBondContact O-N 2.99Å; F134-E137 PolarHBondContact O-N 3.31Å; F134-L138 HydrophobicContact CD1-CD1 4.07Å; F134-L138 HydrophobicContact CD2-CD1 4.43Å; F134-L138 HydrophobicContact CD2-CG 4.27Å; F134-L138 HydrophobicContact CE1-CD1 3.71Å; F134-L138 HydrophobicContact CE2-CD1 4.09Å; F134-L138 HydrophobicContact CE2-CD2 4.07Å; F134-L138 HydrophobicContact CE2-CG 4.01Å; F134-L138 HydrophobicContact CG-CD1 4.43Å; F134-L138 HydrophobicContact CZ-CD1 3.73Å; F134-L138 HydrophobicContact CZ-CD2 4.21Å; F134-L138 HydrophobicContact CZ-CG 4.15Å; F134-L138 WeakPolarHBondContact O-CG 3.47Å; F134-L138 PolarHBondContact O-N 3.05Å; F134-V148 HydrophobicContact CD1-CG1 3.71Å; F134-V148 HydrophobicContact CD1-CG2 4.29Å; F134-V148 HydrophobicContact CE1-CG1 4.25Å; F134-F169 HydrophobicContact CE1-CZ 4.48Å; F134-F169 HydrophobicContact CZ-CE1 4.39Å; F134-F169 HydrophobicContact CZ-CZ 4.35Å; F134-I176 HydrophobicContact CD1-CG2 4.45Å; F134-I176 HydrophobicContact CE1-CG2 4Å; F134-A178 HydrophobicContact CE1-CB 4.17Å
135K98.4Very high94.7Very high64 Ų6468.1 Ų68.128%0.27832%0.321SS..Hα-helixtrans-55.1-49.6172.3173.9173.4169.7154.10111.5V131 K132 E137 L138 E139 W146 V148V131-K135 VanDerWaalsContact O-CB 3.3Å; V131-K135 WeakPolarHBondContact O-CB 3.36Å; V131-K135 PolarHBondContact O-N 3.28Å; K132-K135 PolarHBondContact O-N 3.11Å; K135-E137 VanDerWaalsContact C-N 3.32Å; K135-E137 PolarHBondContact O-N 3.49Å; K135-L138 PolarHBondContact O-N 3.41Å; K135-E139 WeakPolarHBondContact CE-OE1 3.3Å; K135-E139 HydrophobicContact CG-CG 4.37Å; K135-E139 IonicContact NZ-OE1 3.23Å; K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 WeakPolarHBondContact O-CG 3.46Å; K135-E139 PolarHBondContact O-N 3.08Å; K135-W146 WeakPolarHBondContact CD-O 3.39Å; K135-W146 WeakPolarHBondContact CE-O 3.01Å; K135-W146 HydrophobicContact CG-CB 4.28Å; K135-W146 PolarHBondContact NZ-O 3.44Å; K135-V148 HydrophobicContact CB-CB 4.28Å; K135-V148 HydrophobicContact CB-CG2 3.78Å; K135-V148 HydrophobicContact CG-CG2 4.36Å
136S98.1Very high95.5Very high61 Ų6167.4 Ų67.443%0.42732%0.316SS..Hα-helixtrans-61.9-38.3-179.9-65.70000112.8K132 T133 F134 E139 R140K132-S136 PolarHBondContact O-N 3.31Å; K132-S136 PolarHBondContact O-OG 2.93Å; T133-S136 PolarHBondContact O-N 2.83Å; F134-S136 PolarHBondContact O-N 2.99Å; S136-E139 PolarHBondContact O-N 3.44Å; S136-R140 WeakPolarHBondContact O-CB 3.28Å; S136-R140 PolarHBondContact O-N 2.82Å
137E98.2Very high95.9Very high46 Ų4666.7 Ų66.722%0.21531%0.31CS..Hα-helixtrans-69.1-39175.7-82.7-65.4114.200112.7L113 I117 T133 F134 K135 E139 R140 R141L113-E137 HydrophobicContact CD1-CB 4.09Å; L113-E137 HydrophobicContact CD1-CG 4.18Å; L113-E137 HydrophobicContact CD2-CB 3.8Å; L113-E137 HydrophobicContact CG-CB 4.41Å; I117-E137 HydrophobicContact CD1-CG 4.43Å; T133-E137 PolarHBondContact O-N 3.41Å; F134-E137 PolarHBondContact O-N 3.31Å; K135-E137 VanDerWaalsContact C-N 3.32Å; K135-E137 PolarHBondContact O-N 3.49Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-R140 PolarHBondContact O-N 2.92Å; E137-R140 IonicContact OE1-CZ 3.73Å; E137-R140 IonicContact OE1-NE 3.08Å; E137-R140 PolarHBondContact OE1-NE 3.42Å; E137-R140 IonicContact OE1-NH2 3.63Å; E137-R140 IonicContact OE2-CZ 3.55Å; E137-R140 IonicContact OE2-NE 3.55Å; E137-R140 PolarHBondContact OE2-NE 2.9Å; E137-R140 IonicContact OE2-NH2 3.95Å; E137-R140 PolarHBondContact OE2-NH2 3.37Å; E137-R141 WeakPolarHBondContact O-CB 3.35Å; E137-R141 VanDerWaalsContact O-CG 3.31Å; E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE2-CZ 3.24Å; E137-R141 IonicContact OE2-NE 4Å; E137-R141 PolarHBondContact OE2-NE 3.04Å; E137-R141 IonicContact OE2-NH2 2.67Å; E137-R141 PolarHBondContact OE2-NH2 3.44Å
138L98Very high96.1Very high0 Ų065.6 Ų65.60%031%0.306CS..Hα-helixtrans-62-43.7172-69.2175.8000111.2V110 L113 F134 K135 R140 R141 Y142 W146 V148 A178V110-L138 HydrophobicContact CG1-CD2 4.04Å; V110-L138 HydrophobicContact CG2-CD2 4.02Å; L113-L138 HydrophobicContact CD2-CD2 4.33Å; F134-L138 HydrophobicContact CD1-CD1 4.07Å; F134-L138 HydrophobicContact CD2-CD1 4.43Å; F134-L138 HydrophobicContact CD2-CG 4.27Å; F134-L138 HydrophobicContact CE1-CD1 3.71Å; F134-L138 HydrophobicContact CE2-CD1 4.09Å; F134-L138 HydrophobicContact CE2-CD2 4.07Å; F134-L138 HydrophobicContact CE2-CG 4.01Å; F134-L138 HydrophobicContact CG-CD1 4.43Å; F134-L138 HydrophobicContact CZ-CD1 3.73Å; F134-L138 HydrophobicContact CZ-CD2 4.21Å; F134-L138 HydrophobicContact CZ-CG 4.15Å; F134-L138 WeakPolarHBondContact O-CG 3.47Å; F134-L138 PolarHBondContact O-N 3.05Å; K135-L138 PolarHBondContact O-N 3.41Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.49Å; L138-R141 PolarHBondContact O-N 3.48Å; L138-Y142 HydrophobicContact CD2-CD2 3.8Å; L138-Y142 HydrophobicContact CD2-CE2 3.93Å; L138-Y142 PolarHBondContact O-N 2.99Å; L138-W146 HydrophobicContact CB-CB 4.47Å; L138-W146 HydrophobicContact CB-CD2 3.79Å; L138-W146 HydrophobicContact CB-CE3 4.36Å; L138-W146 HydrophobicContact CB-CG 3.82Å; L138-W146 HydrophobicContact CD1-CD2 3.99Å; L138-W146 HydrophobicContact CD1-CE3 3.7Å; L138-W146 HydrophobicContact CD1-CG 4.45Å; L138-W146 HydrophobicContact CD1-CZ3 4.18Å; L138-W146 HydrophobicContact CG-CD2 4.44Å; L138-W146 PolarHBondContact O-NE1 3.22Å; L138-V148 HydrophobicContact CD1-CG2 4.03Å; L138-A178 HydrophobicContact CD1-CB 4.1Å
139E96.6Very high96.3Very high53 Ų5362.6 Ų62.625%0.24829%0.289CS..Hα-helixtrans-63-38.2178.4-73.7-179.3150.600112.5K135 S136 E137 G143 V145 W146K135-E139 WeakPolarHBondContact CE-OE1 3.3Å; K135-E139 HydrophobicContact CG-CG 4.37Å; K135-E139 IonicContact NZ-OE1 3.23Å; K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 WeakPolarHBondContact O-CG 3.46Å; K135-E139 PolarHBondContact O-N 3.08Å; S136-E139 PolarHBondContact O-N 3.44Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E139-G143 VanDerWaalsContact CA-O 3.28Å; E139-G143 WeakPolarHBondContact CA-O 3.33Å; E139-G143 CarbonylContact O-C 3.39Å; E139-G143 PolarHBondContact O-N 2.77Å; E139-V145 PolarHBondContact OE1-N 2.88Å; E139-W146 HydrophobicContact CG-CB 4.07Å; E139-W146 HydrophobicContact CG-CG 4.26Å; E139-W146 PolarHBondContact OE1-N 2.98Å
140R96.3Very high96.4Very high161 Ų16158.2 Ų58.261%0.60828%0.277SS*.Hα-helixtrans-68.7-39.6177.3-169.6-173.965.270.8-0.7112.5S136 E137 L138S136-R140 WeakPolarHBondContact O-CB 3.28Å; S136-R140 PolarHBondContact O-N 2.82Å; E137-R140 PolarHBondContact O-N 2.92Å; E137-R140 IonicContact OE1-CZ 3.73Å; E137-R140 IonicContact OE1-NE 3.08Å; E137-R140 PolarHBondContact OE1-NE 3.42Å; E137-R140 IonicContact OE1-NH2 3.63Å; E137-R140 IonicContact OE2-CZ 3.55Å; E137-R140 IonicContact OE2-NE 3.55Å; E137-R140 PolarHBondContact OE2-NE 2.9Å; E137-R140 IonicContact OE2-NH2 3.95Å; E137-R140 PolarHBondContact OE2-NH2 3.37Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.49Å
141R94.9Very high96.4Very high115 Ų11560.3 Ų60.343%0.43429%0.29SS..Hα-helixtrans-88.3-38.8-174.3-66.8178.9-165.6-1471.3113.6E137 L138E137-R141 WeakPolarHBondContact O-CB 3.35Å; E137-R141 VanDerWaalsContact O-CG 3.31Å; E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE2-CZ 3.24Å; E137-R141 IonicContact OE2-NE 4Å; E137-R141 PolarHBondContact OE2-NE 3.04Å; E137-R141 IonicContact OE2-NH2 2.67Å; E137-R141 PolarHBondContact OE2-NH2 3.44Å; L138-R141 PolarHBondContact O-N 3.48Å
142Y93.3Very high96.2Very high29 Ų2962.6 Ų62.611%0.11430%0.304CS..Hα-helixtrans-126.619.5-165.8-49.9-65.2000113.1E109 V110 L138 R180E109-Y142 PolarHBondContact OE2-OH 3.5Å; V110-Y142 HydrophobicContact CG2-CE2 3.79Å; L138-Y142 HydrophobicContact CD2-CD2 3.8Å; L138-Y142 HydrophobicContact CD2-CE2 3.93Å; L138-Y142 PolarHBondContact O-N 2.99Å; Y142-R180 PolarHBondContact O-NH1 2.98Å
143G91.8Very high95.9Very high17 Ų1762.8 Ų62.818%0.17531%0.307CS..  trans87.3161.8176.700000113.9E139 W146E139-G143 VanDerWaalsContact CA-O 3.28Å; E139-G143 WeakPolarHBondContact CA-O 3.33Å; E139-G143 CarbonylContact O-C 3.39Å; E139-G143 PolarHBondContact O-N 2.77Å; G143-W146 PolarHBondContact O-NE1 3.44Å
144R93Very high95.7Very high197 Ų19764.5 Ų64.574%0.74332%0.321SS*.SBendtrans-73.2172.2-168.4-59.6-170.3-61-168.30.8113.7R180R144-R180 WeakPolarHBondContact O-CG 3.43Å; R144-R180 PolarHBondContact O-NE 3.22Å; R144-R180 VanDerWaalsContact O-NE 3.11Å
145V93.4Very high95.5Very high53 Ų5367.1 Ų67.132%0.32133%0.331SS..  trans73.642.8169.8-147.20000113.4E139 T181E139-V145 PolarHBondContact OE1-N 2.88Å; V145-T181 WeakPolarHBondContact CG1-OG1 3.38Å; V145-T181 PolarHBondContact O-N 3.39Å; V145-T181 VanDerWaalsContact O-N 3.09Å; V145-T181 PolarHBondContact O-OG1 3.27Å
146W97.1Very high95.3Very high0 Ų075.4 Ų75.40%036%0.361CS..EExtended strand (participates in β ladder)trans-80.1136.5170-75.581.9000111.2M102 K135 L138 E139 G143 Q165 A178 W179 R180M102-W146 HydrophobicContact CE-CH2 3.43Å; M102-W146 VanDerWaalsContact CE-CH2 3.43Å; M102-W146 HydrophobicContact CE-CZ3 3.75Å; K135-W146 WeakPolarHBondContact CD-O 3.39Å; K135-W146 WeakPolarHBondContact CE-O 3.01Å; K135-W146 HydrophobicContact CG-CB 4.28Å; K135-W146 PolarHBondContact NZ-O 3.44Å; L138-W146 HydrophobicContact CB-CB 4.47Å; L138-W146 HydrophobicContact CB-CD2 3.79Å; L138-W146 HydrophobicContact CB-CE3 4.36Å; L138-W146 HydrophobicContact CB-CG 3.82Å; L138-W146 HydrophobicContact CD1-CD2 3.99Å; L138-W146 HydrophobicContact CD1-CE3 3.7Å; L138-W146 HydrophobicContact CD1-CG 4.45Å; L138-W146 HydrophobicContact CD1-CZ3 4.18Å; L138-W146 HydrophobicContact CG-CD2 4.44Å; L138-W146 PolarHBondContact O-NE1 3.22Å; E139-W146 HydrophobicContact CG-CB 4.07Å; E139-W146 HydrophobicContact CG-CG 4.26Å; E139-W146 PolarHBondContact OE1-N 2.98Å; G143-W146 PolarHBondContact O-NE1 3.44Å; W146-Q165 HydrophobicContact CH2-CB 4.08Å; W146-Q165 HydrophobicContact CZ2-CB 4.37Å; W146-Q165 WeakPolarHBondContact CZ3-O 3.17Å; W146-A178 HydrophobicContact CE3-CB 4.32Å; W146-A178 HydrophobicContact CZ3-CB 4.34Å; W146-W179 WeakPolarHBondContact CA-O 3.38Å; W146-W179 VanDerWaalsContact CE3-C 3.47Å; W146-R180 HydrophobicContact CD2-CB 3.95Å; W146-R180 HydrophobicContact CE3-CB 4.3Å; W146-R180 HydrophobicContact CG-CB 4.4Å; W146-R180 HydrophobicContact CH2-CB 4.26Å; W146-R180 HydrophobicContact CZ2-CB 3.93Å; W146-R180 HydrophobicContact CZ3-CB 4.45Å
147Q97Very high95Very high71 Ų7175 Ų7533%0.33236%0.361SS..EExtended strand (participates in β ladder)trans-101.5129.9164.8-54.6-56.6-28.600107.6A178 W179 T181Q147-A178 VanDerWaalsContact O-CA 3.28Å; Q147-A178 WeakPolarHBondContact O-CA 3.46Å; Q147-W179 HydrophobicContact CB-CD2 3.88Å; Q147-W179 VanDerWaalsContact CB-CE2 3.48Å; Q147-W179 HydrophobicContact CB-CE3 4.28Å; Q147-W179 HydrophobicContact CB-CG 4.45Å; Q147-W179 HydrophobicContact CB-CH2 4.03Å; Q147-W179 HydrophobicContact CB-CZ2 3.57Å; Q147-W179 HydrophobicContact CB-CZ3 4.35Å; Q147-W179 HydrophobicContact CG-CZ2 3.99Å; Q147-W179 PolarHBondContact N-O 3.19Å; Q147-W179 PolarHBondContact O-N 3.03Å; Q147-T181 HydrophobicContact CG-CG2 3.99Å
148V98.1Very high94.6Very high14 Ų1478.9 Ų78.99%0.08539%0.394CS..EExtended strand (participates in β ladder)trans-134125.6179.1-178.60000108.1V131 F134 K135 L138 I176 L177 A178V131-V148 HydrophobicContact CB-CG1 4.36Å; V131-V148 HydrophobicContact CG1-CB 3.89Å; V131-V148 HydrophobicContact CG1-CG1 3.64Å; V131-V148 WeakPolarHBondContact CG1-O 3.36Å; V131-V148 HydrophobicContact CG2-CG1 4.34Å; F134-V148 HydrophobicContact CD1-CG1 3.71Å; F134-V148 HydrophobicContact CD1-CG2 4.29Å; F134-V148 HydrophobicContact CE1-CG1 4.25Å; K135-V148 HydrophobicContact CB-CB 4.28Å; K135-V148 HydrophobicContact CB-CG2 3.78Å; K135-V148 HydrophobicContact CG-CG2 4.36Å; L138-V148 HydrophobicContact CD1-CG2 4.03Å; V148-I176 HydrophobicContact CG1-CG2 4.37Å; V148-L177 CarbonylContact C-O 3.6Å; V148-L177 VanDerWaalsContact CA-O 3.31Å; V148-L177 WeakPolarHBondContact CA-O 3.45Å; V148-A178 HydrophobicContact CG2-CB 4.15Å
149N97.1Very high94.2Very high72 Ų7281.2 Ų81.239%0.38540%0.404SS..EExtended strand (participates in β ladder)trans-126.5138.1175.9-62.8-85.6000109.1I176 L177 W179N149-I176 WeakPolarHBondContact O-CA 3.38Å; N149-L177 HydrophobicContact CB-CB 4.43Å; N149-L177 PolarHBondContact N-O 3.24Å; N149-L177 PolarHBondContact O-N 2.76Å; N149-W179 VanDerWaalsContact ND2-CH2 3.28Å; N149-W179 WeakPolarHBondContact ND2-CH2 3.47Å; N149-W179 WeakPolarHBondContact ND2-CZ3 3.17Å
150A96.7Very high93.9Very high35 Ų3583.3 Ų83.329%0.28942%0.424SS..EExtended strand (participates in β ladder)trans-115.5126.8168.200000108.7M127 V131 I175 I176M127-A150 HydrophobicContact CE-CB 3.64Å; V131-A150 HydrophobicContact CG2-CB 3.53Å; A150-I175 WeakPolarHBondContact CA-O 3.36Å; A150-I176 HydrophobicContact CB-CD1 3.6Å
151V96.2Very high93.8Very high43 Ų4377.7 Ų77.726%0.26141%0.405SS..EExtended strand (participates in β ladder)trans-127.1153.7-179.1-580000110.6Y155 I175 L177V151-Y155 HydrophobicContact CG2-CD1 4.16Å; V151-Y155 HydrophobicContact CG2-CG 4.47Å; V151-I175 HydrophobicContact CG2-CB 3.79Å; V151-I175 HydrophobicContact CG2-CG2 4.34Å; V151-I175 PolarHBondContact N-O 3.36Å; V151-I175 PolarHBondContact O-N 3.26Å; V151-L177 HydrophobicContact CG2-CD1 3.99Å
152T93.5Very high93.6Very high75 Ų7573.3 Ų73.346%0.4639%0.389SS..SBendtrans-101.5138.116653.90000108.2K174T152-K174 HydrophobicContact CG2-CD 3.81Å
153H90.6Very high93.5Very high157 Ų15773.1 Ų73.173%0.72739%0.392SS*.SBendtrans75.8-122.9-180-44.289.7000115.4I175H153-I175 WeakPolarHBondContact O-CD1 3.37Å
154S92.7Very high93.6Very high92 Ų9272.9 Ų72.964%0.64339%0.386SS*.  trans-110.6154.4-168.4-560000111.5
155Y94.8Very high93.6Very high55 Ų5563.6 Ų63.622%0.21635%0.351CS..  trans-147.6159.2178.267.4-79.4000110.3I98 V151 A157 Q168 I175 L177I98-Y155 HydrophobicContact CD1-CE1 4.45Å; I98-Y155 WeakPolarHBondContact CG2-OH 3.41Å; V151-Y155 HydrophobicContact CG2-CD1 4.16Å; V151-Y155 HydrophobicContact CG2-CG 4.47Å; Y155-A157 HydrophobicContact CD2-CB 4.13Å; Y155-A157 HydrophobicContact CE2-CB 4.43Å; Y155-Q168 PolarHBondContact OH-OE1 2.85Å; Y155-I175 HydrophobicContact CD1-CD1 4.09Å; Y155-I175 HydrophobicContact CD1-CG2 4.12Å; Y155-I175 HydrophobicContact CE1-CB 4.47Å; Y155-I175 HydrophobicContact CE1-CD1 3.9Å; Y155-I175 HydrophobicContact CE1-CG2 3.58Å; Y155-L177 HydrophobicContact CD1-CD1 4.49Å; Y155-L177 HydrophobicContact CD2-CD1 4.4Å; Y155-L177 HydrophobicContact CD2-CD2 3.51Å; Y155-L177 HydrophobicContact CD2-CG 4.29Å; Y155-L177 HydrophobicContact CE2-CD1 4.42Å; Y155-L177 HydrophobicContact CE2-CD2 3.5Å; Y155-L177 VanDerWaalsContact CE2-CD2 3.5Å; Y155-L177 HydrophobicContact CE2-CG 4.01Å; Y155-L177 HydrophobicContact CG-CD1 4.4Å; Y155-L177 HydrophobicContact CG-CD2 4.24Å
156W94.7Very high93.8Very high237 Ų23761.4 Ų61.490%0.89834%0.338SS*.  trans-129.3128.5167.4-69.5-101.2000106.9
157A90.5Very high93.8Very high53 Ų5361.4 Ų61.444%0.43834%0.338SS..  trans-139137.9-177.800000110.3Y155 F159 L177Y155-A157 HydrophobicContact CD2-CB 4.13Å; Y155-A157 HydrophobicContact CE2-CB 4.43Å; A157-F159 HydrophobicContact CB-CD1 4Å; A157-F159 HydrophobicContact CB-CE1 4.13Å; A157-L177 HydrophobicContact CB-CD2 4.06Å
158S90.2Very high93.8Very high127 Ų12759 Ų5989%0.88833%0.326SS*.  trans-127.9129.1165.3-176.80000107.1
159F90.6Very high93.8Very high50 Ų5058.3 Ų58.322%0.21932%0.322CS..  trans-157.5154-174.955.6-87.2000110.4A157 H161 S166 Q168 W179A157-F159 HydrophobicContact CB-CD1 4Å; A157-F159 HydrophobicContact CB-CE1 4.13Å; F159-H161 HydrophobicContact CD2-CB 4.36Å; F159-H161 AromaticContact CD2-ND1 3.69Å; F159-H161 HydrophobicContact CE2-CB 4.48Å; F159-H161 AromaticContact CE2-ND1 3.47Å; F159-H161 WeakPolarHBondContact CE2-ND1 3.45Å; F159-S166 WeakPolarHBondContact CE2-OG 3.3Å; F159-Q168 VanDerWaalsContact CE1-NE2 3.25Å; F159-Q168 VanDerWaalsContact CZ-NE2 3.29Å; F159-W179 HydrophobicContact CB-CD2 4.47Å; F159-W179 HydrophobicContact CB-CZ2 4.16Å; F159-W179 HydrophobicContact CD2-CB 4.07Å; F159-W179 AromaticContact CD2-CD1 3.76Å; F159-W179 AromaticContact CD2-CD2 3.85Å; F159-W179 HydrophobicContact CD2-CD2 3.85Å; F159-W179 HydrophobicContact CD2-CE3 4.48Å; F159-W179 AromaticContact CD2-CG 3.63Å; F159-W179 HydrophobicContact CD2-CG 3.63Å; F159-W179 HydrophobicContact CE2-CB 3.96Å; F159-W179 HydrophobicContact CE2-CD2 4.26Å; F159-W179 AromaticContact CE2-CG 3.98Å; F159-W179 HydrophobicContact CE2-CG 3.98Å; F159-W179 HydrophobicContact CG-CD2 4.06Å; F159-W179 HydrophobicContact CG-CG 4.29Å; F159-W179 HydrophobicContact CG-CZ2 4.44Å
160S90.6Very high93.9Very high96 Ų9658.7 Ų58.767%0.67132%0.322SS*.  trans-96.1147.8167.3-57.40000109.7
161H92.2Very high93.8Very high44 Ų4458.3 Ų58.320%0.20431%0.313CS..  trans-146.2156.9178.854.4-83.1000110.5E6 T101 F159 S166 W179 R180E6-H161 IonicContact OE1-CD2 2.96Å; E6-H161 IonicContact OE1-NE2 2.9Å; E6-H161 IonicContact OE2-NE2 3.24Å; T101-H161 WeakPolarHBondContact CG2-NE2 3.41Å; T101-H161 PolarHBondContact OG1-NE2 3.41Å; F159-H161 HydrophobicContact CD2-CB 4.36Å; F159-H161 AromaticContact CD2-ND1 3.69Å; F159-H161 HydrophobicContact CE2-CB 4.48Å; F159-H161 AromaticContact CE2-ND1 3.47Å; F159-H161 WeakPolarHBondContact CE2-ND1 3.45Å; H161-S166 VanDerWaalsContact CD2-CB 3.41Å; H161-S166 WeakPolarHBondContact CD2-CB 3.31Å; H161-W179 HydrophobicContact CB-CB 4.02Å; H161-W179 HydrophobicContact CB-CG 4.49Å; H161-R180 CarbonylContact C-O 3.57Å; H161-R180 WeakPolarHBondContact CA-O 3.28Å; H161-R180 WeakPolarHBondContact CB-O 3.34Å
162E91.3Very high93.7Very high23 Ų2360.7 Ų60.711%0.10732%0.324CS..  trans-65150.2168.3-70.8-174.5178.200110.8F164 Q165 R180 P182 S183E162-F164 PolarHBondContact O-N 2.87Å; E162-Q165 HydrophobicContact CB-CB 4.12Å; E162-Q165 HydrophobicContact CB-CG 3.71Å; E162-Q165 WeakPolarHBondContact O-CB 3.21Å; E162-Q165 PolarHBondContact O-N 2.93Å; E162-R180 VanDerWaalsContact CD-NH2 3.31Å; E162-R180 PolarHBondContact N-O 2.73Å; E162-R180 IonicContact OE1-CZ 2.66Å; E162-R180 IonicContact OE1-NE 3.78Å; E162-R180 IonicContact OE1-NH2 3.98Å; E162-R180 PolarHBondContact OE1-NH2 3.36Å; E162-R180 WeakPolarHBondContact OE2-CD 3.31Å; E162-R180 IonicContact OE2-CZ 3.41Å; E162-R180 IonicContact OE2-NE 2.92Å; E162-R180 PolarHBondContact OE2-NE 3.44Å; E162-R180 VanDerWaalsContact OE2-NE 3.08Å; E162-R180 IonicContact OE2-NH1 3.5Å; E162-R180 PolarHBondContact OE2-NH1 2.91Å; E162-R180 IonicContact OE2-NH2 3.11Å; E162-R180 PolarHBondContact OE2-NH2 3.29Å; E162-P182 HydrophobicContact CG-CB 4.28Å; E162-P182 HydrophobicContact CG-CG 4.2Å; E162-S183 PolarHBondContact OE1-N 2.68Å
163P91.2Very high93.6Very high25 Ų2561.4 Ų61.416%0.16233%0.326CS..THydrogen-bonded Turntrans-50130179-3037000113.3E6 I9 L68 Q165E6-P163 HydrophobicContact CG-CB 4.02Å; E6-P163 HydrophobicContact CG-CG 4.47Å; E6-P163 WeakPolarHBondContact OE1-CA 3.32Å; I9-P163 HydrophobicContact CD1-CB 3.78Å; I9-P163 HydrophobicContact CD1-CG 3.54Å; L68-P163 HydrophobicContact CD2-CG 4.23Å; P163-Q165 WeakPolarHBondContact O-CG 3.32Å; P163-Q165 PolarHBondContact O-N 3.26Å; P163-Q165 VanDerWaalsContact O-N 3.16Å; P163-Q165 PolarHBondContact O-NE2 3.47Å
164F93.5Very high93.8Very high11 Ų1155.4 Ų55.45%0.04830%0.297CS..THydrogen-bonded Turntrans62.316178.5-38-60.8000115.1E6 I9 Q10 L13 E76 M102 E162E6-F164 PolarHBondContact OE1-N 2.86Å; I9-F164 HydrophobicContact CB-CE2 4.31Å; I9-F164 HydrophobicContact CB-CZ 4.01Å; I9-F164 HydrophobicContact CG2-CE2 3.43Å; I9-F164 VanDerWaalsContact CG2-CE2 3.43Å; I9-F164 HydrophobicContact CG2-CZ 3.57Å; Q10-F164 HydrophobicContact CB-CE1 4.33Å; Q10-F164 HydrophobicContact CB-CZ 4.25Å; L13-F164 HydrophobicContact CD1-CE2 4.13Å; E76-F164 HydrophobicContact CB-CD2 4.19Å; E76-F164 HydrophobicContact CG-CD2 4Å; M102-F164 VanDerWaalsContact CG-O 3.23Å; M102-F164 WeakPolarHBondContact CG-O 3.45Å; E162-F164 PolarHBondContact O-N 2.87Å
165Q94.6Very high94.1Very high3 Ų351.9 Ų51.91%0.01427%0.271CS..  trans-11130.3-178.5-50.9-52.3-4400113.3E76 W146 E162 P163 W179 R180E76-Q165 PolarHBondContact OE1-NE2 2.93Å; E76-Q165 VanDerWaalsContact OE1-NE2 3.12Å; W146-Q165 HydrophobicContact CH2-CB 4.08Å; W146-Q165 HydrophobicContact CZ2-CB 4.37Å; W146-Q165 WeakPolarHBondContact CZ3-O 3.17Å; E162-Q165 HydrophobicContact CB-CB 4.12Å; E162-Q165 HydrophobicContact CB-CG 3.71Å; E162-Q165 WeakPolarHBondContact O-CB 3.21Å; E162-Q165 PolarHBondContact O-N 2.93Å; P163-Q165 WeakPolarHBondContact O-CG 3.32Å; P163-Q165 PolarHBondContact O-N 3.26Å; P163-Q165 VanDerWaalsContact O-N 3.16Å; P163-Q165 PolarHBondContact O-NE2 3.47Å; Q165-W179 CarbonylContact O-C 3.55Å; Q165-W179 WeakPolarHBondContact O-CA 3.38Å; Q165-R180 HydrophobicContact CB-CB 3.59Å; Q165-R180 HydrophobicContact CG-CB 4.16Å; Q165-R180 PolarHBondContact O-N 2.93Å
166S96.2Very high94.2Very high6 Ų649.3 Ų49.34%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-127.8134.9176.21710000112.2S100 T101 M102 F159 H161S100-S166 WeakPolarHBondContact CA-O 3.46Å; S100-S166 PolarHBondContact OG-O 2.97Å; T101-S166 PolarHBondContact N-O 3.03Å; T101-S166 PolarHBondContact OG1-N 3.38Å; M102-S166 PolarHBondContact N-O 3Å; F159-S166 WeakPolarHBondContact CE2-OG 3.3Å; H161-S166 VanDerWaalsContact CD2-CB 3.41Å; H161-S166 WeakPolarHBondContact CD2-CB 3.31Å
167I97.7Very high94.4Very high0 Ų038.3 Ų38.30%022%0.22CC..EExtended strand (participates in β ladder)trans-146.8139.3174.6-165.7173.2000111.4I97 A99 M102 Q107 V110 T111 F169 A178I97-I167 HydrophobicContact CD1-CD1 3.97Å; I97-I167 HydrophobicContact CD1-CG1 4.26Å; A99-I167 CarbonylContact O-C 3.6Å; M102-I167 HydrophobicContact CE-CB 3.86Å; M102-I167 HydrophobicContact CE-CG2 3.58Å; M102-I167 HydrophobicContact CG-CB 4.37Å; M102-I167 HydrophobicContact SD-CB 3.74Å; M102-I167 HydrophobicContact SD-CD1 4.04Å; M102-I167 HydrophobicContact SD-CG1 4.43Å; M102-I167 HydrophobicContact SD-CG2 3.88Å; Q107-I167 HydrophobicContact CB-CD1 4.06Å; Q107-I167 HydrophobicContact CG-CD1 4.04Å; V110-I167 HydrophobicContact CG1-CD1 4.41Å; V110-I167 HydrophobicContact CG1-CG2 4.04Å; T111-I167 HydrophobicContact CG2-CD1 3.88Å; I167-F169 HydrophobicContact CD1-CD1 4.17Å; I167-F169 HydrophobicContact CG1-CD1 4.07Å; I167-F169 HydrophobicContact CG2-CD1 4.34Å; I167-F169 HydrophobicContact CG2-CE1 4.41Å; I167-A178 HydrophobicContact CG2-CB 4Å; I167-A178 PolarHBondContact N-O 2.84Å; I167-A178 PolarHBondContact O-N 2.77Å; I167-A178 VanDerWaalsContact O-O 3.08Å
168Q97.9Very high94.7Very high21 Ų2135.8 Ų35.810%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-130.1123.7172.6-61.4169.55.600107.6I98 A99 Y155 F159 I176 L177I98-Q168 HydrophobicContact CB-CB 4.17Å; I98-Q168 PolarHBondContact N-O 3.16Å; A99-Q168 HydrophobicContact CB-CB 4.39Å; A99-Q168 PolarHBondContact N-O 3.4Å; A99-Q168 WeakPolarHBondContact O-CA 3.42Å; A99-Q168 WeakPolarHBondContact O-CB 3.34Å; A99-Q168 PolarHBondContact O-N 2.99Å; Y155-Q168 PolarHBondContact OH-OE1 2.85Å; F159-Q168 VanDerWaalsContact CE1-NE2 3.25Å; F159-Q168 VanDerWaalsContact CZ-NE2 3.29Å; Q168-I176 VanDerWaalsContact CA-O 3.25Å; Q168-I176 WeakPolarHBondContact CA-O 3.29Å; Q168-L177 HydrophobicContact CG-CB 4.36Å; Q168-L177 HydrophobicContact CG-CG 4.2Å
169F98.1Very high95.1Very high0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans-146.7155-177.165.6-86000111.1V95 S96 I97 T111 F114 F134 I167 I176V95-F169 HydrophobicContact CG1-CB 4.28Å; V95-F169 HydrophobicContact CG1-CD2 4.16Å; S96-F169 CarbonylContact O-C 3.47Å; S96-F169 WeakPolarHBondContact O-CA 3.5Å; S96-F169 VanDerWaalsContact O-CB 3.31Å; S96-F169 WeakPolarHBondContact O-CB 3.28Å; I97-F169 HydrophobicContact CD1-CB 3.86Å; T111-F169 HydrophobicContact CG2-CB 4.3Å; T111-F169 HydrophobicContact CG2-CD1 3.92Å; T111-F169 HydrophobicContact CG2-CD2 3.98Å; T111-F169 HydrophobicContact CG2-CE1 4.2Å; T111-F169 HydrophobicContact CG2-CE2 4.25Å; T111-F169 HydrophobicContact CG2-CG 3.8Å; T111-F169 HydrophobicContact CG2-CZ 4.36Å; F114-F169 HydrophobicContact CB-CE2 4.04Å; F114-F169 HydrophobicContact CB-CZ 3.61Å; F114-F169 AromaticContact CD1-CE2 3.62Å; F114-F169 HydrophobicContact CD1-CE2 3.62Å; F114-F169 AromaticContact CD1-CZ 3.89Å; F114-F169 HydrophobicContact CD1-CZ 3.89Å; F114-F169 HydrophobicContact CD2-CZ 4.14Å; F114-F169 HydrophobicContact CE1-CE2 4.3Å; F114-F169 AromaticContact CG-CE2 3.84Å; F114-F169 HydrophobicContact CG-CE2 3.84Å; F114-F169 AromaticContact CG-CZ 3.59Å; F114-F169 HydrophobicContact CG-CZ 3.59Å; F134-F169 HydrophobicContact CE1-CZ 4.48Å; F134-F169 HydrophobicContact CZ-CE1 4.39Å; F134-F169 HydrophobicContact CZ-CZ 4.35Å; I167-F169 HydrophobicContact CD1-CD1 4.17Å; I167-F169 HydrophobicContact CG1-CD1 4.07Å; I167-F169 HydrophobicContact CG2-CD1 4.34Å; I167-F169 HydrophobicContact CG2-CE1 4.41Å; F169-I176 HydrophobicContact CD1-CB 4.17Å; F169-I176 HydrophobicContact CD2-CB 4.39Å; F169-I176 HydrophobicContact CD2-CG1 4.42Å; F169-I176 HydrophobicContact CE1-CB 3.73Å; F169-I176 HydrophobicContact CE1-CG1 4.45Å; F169-I176 HydrophobicContact CE1-CG2 3.75Å; F169-I176 HydrophobicContact CE2-CB 3.96Å; F169-I176 HydrophobicContact CE2-CG1 3.81Å; F169-I176 HydrophobicContact CG-CB 4.49Å; F169-I176 HydrophobicContact CZ-CB 3.6Å; F169-I176 HydrophobicContact CZ-CG1 3.83Å; F169-I176 HydrophobicContact CZ-CG2 3.73Å; F169-I176 PolarHBondContact N-O 3.06Å; F169-I176 PolarHBondContact O-N 2.96Å
170Q97.7Very high95.3Very high80 Ų8029.2 Ų29.237%0.37415%0.153SC..EExtended strand (participates in β ladder)trans-103.2138.9172.1-174.6-178.2-25.800109.2V95 S96 I98 D172 K174 I175V95-Q170 WeakPolarHBondContact CA-O 3.47Å; S96-Q170 PolarHBondContact N-O 3.33Å; S96-Q170 PolarHBondContact O-N 3.38Å; S96-Q170 WeakPolarHBondContact OG-CB 3.31Å; I98-Q170 HydrophobicContact CD1-CB 4.32Å; Q170-D172 PolarHBondContact NE2-O 3.16Å; Q170-K174 WeakPolarHBondContact CA-O 3.47Å; Q170-K174 WeakPolarHBondContact CG-O 3.37Å; Q170-I175 HydrophobicContact CB-CG1 4.49Å; Q170-I175 HydrophobicContact CG-CG1 4.41Å
171Y96Very high95.4Very high26 Ų2626.3 Ų26.310%0.10213%0.131CC..EExtended strand (participates in β ladder)trans-143.2130167.5178.1-108.7000107.6V95 F114 K115 Y118 N119 N173 K174V95-Y171 HydrophobicContact CG2-CD2 3.86Å; F114-Y171 HydrophobicContact CD1-CD1 4.28Å; F114-Y171 AromaticContact CE1-CD1 3.98Å; F114-Y171 HydrophobicContact CE1-CD1 3.98Å; K115-Y171 HydrophobicContact CB-CE2 4.48Å; K115-Y171 HydrophobicContact CD-CE2 3.78Å; K115-Y171 HydrophobicContact CG-CE1 4.33Å; K115-Y171 HydrophobicContact CG-CE2 3.92Å; Y118-Y171 HydrophobicContact CD1-CD1 4.12Å; Y118-Y171 AromaticContact CD1-CE1 3.52Å; Y118-Y171 HydrophobicContact CD1-CE1 3.52Å; Y118-Y171 HydrophobicContact CE1-CD1 4.44Å; Y118-Y171 HydrophobicContact CE1-CE1 4Å; Y118-Y171 HydrophobicContact CG-CD1 4.2Å; Y118-Y171 AromaticContact CG-CE1 3.93Å; Y118-Y171 HydrophobicContact CG-CE1 3.93Å; N119-Y171 PolarHBondContact ND2-OH 3.44Å; N119-Y171 PolarHBondContact OD1-OH 3.27Å; Y171-N173 PolarHBondContact O-N 3.5Å; Y171-K174 PolarHBondContact N-O 3.14Å; Y171-K174 PolarHBondContact O-N 2.9Å; Y171-K174 VanDerWaalsContact O-N 3.11Å
172D92.7Very high95Very high93 Ų9327.6 Ų27.650%0.49714%0.144SC..THydrogen-bonded Turntrans55.4-135.2-169.6-171.914.8000110.5Y118 Q170 K174Y118-D172 PolarHBondContact OH-OD2 2.67Å; Q170-D172 PolarHBondContact NE2-O 3.16Å; D172-K174 VanDerWaalsContact C-N 3.33Å
173N92.7Very high94Very high91 Ų9129.6 Ų29.649%0.48716%0.16SC..THydrogen-bonded Turntrans-92.114.7174.769.6-7.9000113.8Y171Y171-N173 PolarHBondContact O-N 3.5Å
174K95Very high92.4Very high30 Ų3039.6 Ų39.613%0.1321%0.212CC..EExtended strand (participates in β ladder)trans-109140.2-178.3-55.3-54.1-170.9-55.90110.9Y118 M127 T152 Q170 Y171 D172 I176Y118-K174 HydrophobicContact CE2-CG 4.22Å; M127-K174 HydrophobicContact CE-CG 4.3Å; M127-K174 HydrophobicContact SD-CG 4.42Å; T152-K174 HydrophobicContact CG2-CD 3.81Å; Q170-K174 WeakPolarHBondContact CA-O 3.47Å; Q170-K174 WeakPolarHBondContact CG-O 3.37Å; Y171-K174 PolarHBondContact N-O 3.14Å; Y171-K174 PolarHBondContact O-N 2.9Å; Y171-K174 VanDerWaalsContact O-N 3.11Å; D172-K174 VanDerWaalsContact C-N 3.33Å; K174-I176 HydrophobicContact CB-CD1 4.15Å
175I97.3Very high92.3Very high19 Ų1941.1 Ų41.110%0.09722%0.221CC..EExtended strand (participates in β ladder)trans-105.7127.5166.1-58.2179.4000108.6I98 A150 V151 H153 Y155 Q170 L177I98-I175 HydrophobicContact CD1-CB 4.32Å; I98-I175 HydrophobicContact CD1-CD1 4.04Å; I98-I175 HydrophobicContact CD1-CG1 4.08Å; I98-I175 HydrophobicContact CD1-CG2 3.42Å; I98-I175 VanDerWaalsContact CD1-CG2 3.42Å; A150-I175 WeakPolarHBondContact CA-O 3.36Å; V151-I175 HydrophobicContact CG2-CB 3.79Å; V151-I175 HydrophobicContact CG2-CG2 4.34Å; V151-I175 PolarHBondContact N-O 3.36Å; V151-I175 PolarHBondContact O-N 3.26Å; H153-I175 WeakPolarHBondContact O-CD1 3.37Å; Y155-I175 HydrophobicContact CD1-CD1 4.09Å; Y155-I175 HydrophobicContact CD1-CG2 4.12Å; Y155-I175 HydrophobicContact CE1-CB 4.47Å; Y155-I175 HydrophobicContact CE1-CD1 3.9Å; Y155-I175 HydrophobicContact CE1-CG2 3.58Å; Q170-I175 HydrophobicContact CB-CG1 4.49Å; Q170-I175 HydrophobicContact CG-CG1 4.41Å; I175-L177 HydrophobicContact CG2-CD1 3.97Å
176I97.9Very high92.2Very high0 Ų043.1 Ų43.10%023%0.232CC..EExtended strand (participates in β ladder)trans-108.6126.9-179.4-48.8-55.2000108.5F114 F134 V148 N149 A150 Q168 F169 K174F114-I176 HydrophobicContact CD1-CG1 4.26Å; F114-I176 HydrophobicContact CD2-CD1 4.5Å; F114-I176 HydrophobicContact CD2-CG1 4.22Å; F114-I176 HydrophobicContact CD2-CG2 4.31Å; F114-I176 HydrophobicContact CE1-CD1 3.99Å; F114-I176 HydrophobicContact CE1-CG1 3.75Å; F114-I176 HydrophobicContact CE2-CD1 3.55Å; F114-I176 HydrophobicContact CE2-CG1 3.7Å; F114-I176 HydrophobicContact CE2-CG2 4.24Å; F114-I176 HydrophobicContact CG-CG1 4.48Å; F114-I176 HydrophobicContact CZ-CD1 3.25Å; F114-I176 HydrophobicContact CZ-CG1 3.47Å; F114-I176 VanDerWaalsContact CZ-CG1 3.47Å; F134-I176 HydrophobicContact CD1-CG2 4.45Å; F134-I176 HydrophobicContact CE1-CG2 4Å; V148-I176 HydrophobicContact CG1-CG2 4.37Å; N149-I176 WeakPolarHBondContact O-CA 3.38Å; A150-I176 HydrophobicContact CB-CD1 3.6Å; Q168-I176 VanDerWaalsContact CA-O 3.25Å; Q168-I176 WeakPolarHBondContact CA-O 3.29Å; F169-I176 HydrophobicContact CD1-CB 4.17Å; F169-I176 HydrophobicContact CD2-CB 4.39Å; F169-I176 HydrophobicContact CD2-CG1 4.42Å; F169-I176 HydrophobicContact CE1-CB 3.73Å; F169-I176 HydrophobicContact CE1-CG1 4.45Å; F169-I176 HydrophobicContact CE1-CG2 3.75Å; F169-I176 HydrophobicContact CE2-CB 3.96Å; F169-I176 HydrophobicContact CE2-CG1 3.81Å; F169-I176 HydrophobicContact CG-CB 4.49Å; F169-I176 HydrophobicContact CZ-CB 3.6Å; F169-I176 HydrophobicContact CZ-CG1 3.83Å; F169-I176 HydrophobicContact CZ-CG2 3.73Å; F169-I176 PolarHBondContact N-O 3.06Å; F169-I176 PolarHBondContact O-N 2.96Å; K174-I176 HydrophobicContact CB-CD1 4.15Å
177L98Very high92Very high7 Ų745.1 Ų45.14%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-114.9117.8173.4-58.476.5000107V148 N149 V151 Y155 A157 Q168 I175 W179V148-L177 CarbonylContact C-O 3.6Å; V148-L177 VanDerWaalsContact CA-O 3.31Å; V148-L177 WeakPolarHBondContact CA-O 3.45Å; N149-L177 HydrophobicContact CB-CB 4.43Å; N149-L177 PolarHBondContact N-O 3.24Å; N149-L177 PolarHBondContact O-N 2.76Å; V151-L177 HydrophobicContact CG2-CD1 3.99Å; Y155-L177 HydrophobicContact CD1-CD1 4.49Å; Y155-L177 HydrophobicContact CD2-CD1 4.4Å; Y155-L177 HydrophobicContact CD2-CD2 3.51Å; Y155-L177 HydrophobicContact CD2-CG 4.29Å; Y155-L177 HydrophobicContact CE2-CD1 4.42Å; Y155-L177 HydrophobicContact CE2-CD2 3.5Å; Y155-L177 VanDerWaalsContact CE2-CD2 3.5Å; Y155-L177 HydrophobicContact CE2-CG 4.01Å; Y155-L177 HydrophobicContact CG-CD1 4.4Å; Y155-L177 HydrophobicContact CG-CD2 4.24Å; A157-L177 HydrophobicContact CB-CD2 4.06Å; Q168-L177 HydrophobicContact CG-CB 4.36Å; Q168-L177 HydrophobicContact CG-CG 4.2Å; I175-L177 HydrophobicContact CG2-CD1 3.97Å; L177-W179 HydrophobicContact CB-CE3 4.3Å; L177-W179 HydrophobicContact CB-CZ3 3.86Å; L177-W179 HydrophobicContact CD2-CZ3 4.49Å
178A98.2Very high91.6Very high0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-130.4126.1177.800000110.5F134 L138 W146 Q147 V148 I167F134-A178 HydrophobicContact CE1-CB 4.17Å; L138-A178 HydrophobicContact CD1-CB 4.1Å; W146-A178 HydrophobicContact CE3-CB 4.32Å; W146-A178 HydrophobicContact CZ3-CB 4.34Å; Q147-A178 VanDerWaalsContact O-CA 3.28Å; Q147-A178 WeakPolarHBondContact O-CA 3.46Å; V148-A178 HydrophobicContact CG2-CB 4.15Å; I167-A178 HydrophobicContact CG2-CB 4Å; I167-A178 PolarHBondContact N-O 2.84Å; I167-A178 PolarHBondContact O-N 2.77Å; I167-A178 VanDerWaalsContact O-O 3.08Å
179W97.1Very high91.2Very high35 Ų3549.4 Ų49.413%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-146.2147173.668.696.5000112.3W146 Q147 N149 F159 H161 Q165 L177W146-W179 WeakPolarHBondContact CA-O 3.38Å; W146-W179 VanDerWaalsContact CE3-C 3.47Å; Q147-W179 HydrophobicContact CB-CD2 3.88Å; Q147-W179 VanDerWaalsContact CB-CE2 3.48Å; Q147-W179 HydrophobicContact CB-CE3 4.28Å; Q147-W179 HydrophobicContact CB-CG 4.45Å; Q147-W179 HydrophobicContact CB-CH2 4.03Å; Q147-W179 HydrophobicContact CB-CZ2 3.57Å; Q147-W179 HydrophobicContact CB-CZ3 4.35Å; Q147-W179 HydrophobicContact CG-CZ2 3.99Å; Q147-W179 PolarHBondContact N-O 3.19Å; Q147-W179 PolarHBondContact O-N 3.03Å; N149-W179 VanDerWaalsContact ND2-CH2 3.28Å; N149-W179 WeakPolarHBondContact ND2-CH2 3.47Å; N149-W179 WeakPolarHBondContact ND2-CZ3 3.17Å; F159-W179 HydrophobicContact CB-CD2 4.47Å; F159-W179 HydrophobicContact CB-CZ2 4.16Å; F159-W179 HydrophobicContact CD2-CB 4.07Å; F159-W179 AromaticContact CD2-CD1 3.76Å; F159-W179 AromaticContact CD2-CD2 3.85Å; F159-W179 HydrophobicContact CD2-CD2 3.85Å; F159-W179 HydrophobicContact CD2-CE3 4.48Å; F159-W179 AromaticContact CD2-CG 3.63Å; F159-W179 HydrophobicContact CD2-CG 3.63Å; F159-W179 HydrophobicContact CE2-CB 3.96Å; F159-W179 HydrophobicContact CE2-CD2 4.26Å; F159-W179 AromaticContact CE2-CG 3.98Å; F159-W179 HydrophobicContact CE2-CG 3.98Å; F159-W179 HydrophobicContact CG-CD2 4.06Å; F159-W179 HydrophobicContact CG-CG 4.29Å; F159-W179 HydrophobicContact CG-CZ2 4.44Å; H161-W179 HydrophobicContact CB-CB 4.02Å; H161-W179 HydrophobicContact CB-CG 4.49Å; Q165-W179 CarbonylContact O-C 3.55Å; Q165-W179 WeakPolarHBondContact O-CA 3.38Å; L177-W179 HydrophobicContact CB-CE3 4.3Å; L177-W179 HydrophobicContact CB-CZ3 3.86Å; L177-W179 HydrophobicContact CD2-CZ3 4.49Å
180R95.4Very high90.8Very high4 Ų452.7 Ų52.72%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-92.6124.4172.1-169.9173.2160.6-151.6-29.6109.8E72 Y142 R144 W146 H161 E162 Q165E72-R180 IonicContact OE1-NH1 2.9Å; E72-R180 PolarHBondContact OE1-NH1 2.95Å; E72-R180 IonicContact OE2-CZ 2.61Å; E72-R180 IonicContact OE2-NH1 3.82Å; E72-R180 PolarHBondContact OE2-NH1 2.99Å; E72-R180 IonicContact OE2-NH2 2.84Å; Y142-R180 PolarHBondContact O-NH1 2.98Å; R144-R180 WeakPolarHBondContact O-CG 3.43Å; R144-R180 PolarHBondContact O-NE 3.22Å; R144-R180 VanDerWaalsContact O-NE 3.11Å; W146-R180 HydrophobicContact CD2-CB 3.95Å; W146-R180 HydrophobicContact CE3-CB 4.3Å; W146-R180 HydrophobicContact CG-CB 4.4Å; W146-R180 HydrophobicContact CH2-CB 4.26Å; W146-R180 HydrophobicContact CZ2-CB 3.93Å; W146-R180 HydrophobicContact CZ3-CB 4.45Å; H161-R180 CarbonylContact C-O 3.57Å; H161-R180 WeakPolarHBondContact CA-O 3.28Å; H161-R180 WeakPolarHBondContact CB-O 3.34Å; E162-R180 VanDerWaalsContact CD-NH2 3.31Å; E162-R180 PolarHBondContact N-O 2.73Å; E162-R180 IonicContact OE1-CZ 2.66Å; E162-R180 IonicContact OE1-NE 3.78Å; E162-R180 IonicContact OE1-NH2 3.98Å; E162-R180 PolarHBondContact OE1-NH2 3.36Å; E162-R180 WeakPolarHBondContact OE2-CD 3.31Å; E162-R180 IonicContact OE2-CZ 3.41Å; E162-R180 IonicContact OE2-NE 2.92Å; E162-R180 PolarHBondContact OE2-NE 3.44Å; E162-R180 VanDerWaalsContact OE2-NE 3.08Å; E162-R180 IonicContact OE2-NH1 3.5Å; E162-R180 PolarHBondContact OE2-NH1 2.91Å; E162-R180 IonicContact OE2-NH2 3.11Å; E162-R180 PolarHBondContact OE2-NH2 3.29Å; Q165-R180 HydrophobicContact CB-CB 3.59Å; Q165-R180 HydrophobicContact CG-CB 4.16Å; Q165-R180 PolarHBondContact O-N 2.93Å
181T92.2Very high90.3Very high34 Ų3450.8 Ų50.821%0.20928%0.278CS..PPolyproline II helixtrans-81.6146174.452.80000110.3V145 Q147 S183V145-T181 WeakPolarHBondContact CG1-OG1 3.38Å; V145-T181 PolarHBondContact O-N 3.39Å; V145-T181 VanDerWaalsContact O-N 3.09Å; V145-T181 PolarHBondContact O-OG1 3.27Å; Q147-T181 HydrophobicContact CG-CG2 3.99Å; T181-S183 PolarHBondContact O-N 3Å
182P83.6Confident89.8Confident71 Ų7152.7 Ų52.746%0.46129%0.291SS..PPolyproline II helixtrans-52.8125.1174-25.934.5000111.4E162E162-P182 HydrophobicContact CG-CB 4.28Å; E162-P182 HydrophobicContact CG-CG 4.2Å
183S71.9Confident89.6Confident66 Ų6649.3 Ų49.346%0.46227%0.274SS..PPolyproline II helixtrans-80.6116.4168.357.90000108.8E162 T181E162-S183 PolarHBondContact OE1-N 2.68Å; T181-S183 PolarHBondContact O-N 3Å
184N55.9Low89.3Confident235 Ų23545.5 Ų45.5100%1.25726%0.255SS*.  trans-52.90167.4-67.2-17.4000111.4

Retrieved 184 of 184 residues in 92.6 ms (Link to these results)

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