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Gamma-aminobutyric acid receptor-associated protein-like 2

Ubiquitin-like modifier involved in intra-Golgi traffic. Modulates intra-Golgi transport through coupling between NSF activity and SNAREs activation. It first stimulates the ATPase activity of NSF which in turn stimulates the association with GOSR1. Involved in autophagy. Plays a role in mitophagy which contributes to regulate mitochondrial quantity and quality by eliminating the mitochondria to a basal level to fulfill cellular energy requirements and preventing excess ROS production. Whereas LC3s are involved in elongation of the phagophore membrane, the GABARAP/GATE-16 subfamily is essential for a later stage in autophagosome maturation.

AlphaFold DB (P60520), UniProt , Accession A0A096MVY1, Species PAPAN (Papio anubis, Olive baboon), Gene GABARAPL2, Length 117 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
1M74.6Confident93.2Very high79 Ų7976.1 Ų76.139%0.38938%0.376SS..  01360-171.6-167.4-61.900106.7W3 A108 F115M1-W3 HydrophobicContact CE-CH2 4.25Å; M1-W3 HydrophobicContact CE-CZ2 4.03Å; M1-W3 HydrophobicContact SD-CD2 4.11Å; M1-W3 HydrophobicContact SD-CE3 4.24Å; M1-W3 HydrophobicContact SD-CH2 3.6Å; M1-W3 VanDerWaalsContact SD-CH2 3.6Å; M1-W3 HydrophobicContact SD-CZ2 3.4Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.21Å; M1-W3 HydrophobicContact SD-CZ3 4.03Å; M1-A108 HydrophobicContact CE-CB 3.15Å; M1-A108 HydrophobicContact SD-CB 3.59Å; M1-A108 VanDerWaalsContact SD-CB 3.59Å; M1-F115 HydrophobicContact CB-CZ 4.13Å; M1-F115 HydrophobicContact CE-CD2 4.27Å; M1-F115 HydrophobicContact CE-CE1 4.39Å; M1-F115 HydrophobicContact CE-CE2 3.14Å; M1-F115 HydrophobicContact CE-CZ 3.21Å; M1-F115 HydrophobicContact CG-CZ 3.92Å; M1-F115 HydrophobicContact SD-CZ 4.25Å
2K85.5Confident93.6Very high145 Ų14582.6 Ų82.663%0.6341%0.405SS*.  trans-88.4119.3174.7-173.3173.8-179.4171.60107.7E7K2-E7 WeakPolarHBondContact CE-OE1 3.49Å; K2-E7 WeakPolarHBondContact CE-OE2 3.38Å; K2-E7 HydrophobicContact CG-CG 4.42Å; K2-E7 IonicContact NZ-OE1 2.7Å; K2-E7 IonicContact NZ-OE2 3.95Å; K2-E7 PolarHBondContact NZ-OE2 2.91Å
3W93.4Very high94Very high30 Ų3083.2 Ų83.211%0.11441%0.405CS..  trans-95.5119.3179-6498.3000108.8M1 F5 K6 E7 E34 Y106 V107 A108M1-W3 HydrophobicContact CE-CH2 4.25Å; M1-W3 HydrophobicContact CE-CZ2 4.03Å; M1-W3 HydrophobicContact SD-CD2 4.11Å; M1-W3 HydrophobicContact SD-CE3 4.24Å; M1-W3 HydrophobicContact SD-CH2 3.6Å; M1-W3 VanDerWaalsContact SD-CH2 3.6Å; M1-W3 HydrophobicContact SD-CZ2 3.4Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.21Å; M1-W3 HydrophobicContact SD-CZ3 4.03Å; W3-F5 PolarHBondContact O-N 3.15Å; W3-K6 HydrophobicContact CB-CB 4.14Å; W3-K6 HydrophobicContact CB-CD 4.38Å; W3-K6 HydrophobicContact CB-CG 3.92Å; W3-K6 PolarHBondContact O-N 3.29Å; W3-K6 VanDerWaalsContact O-N 3.11Å; W3-E7 PolarHBondContact O-N 3.32Å; W3-E34 WeakPolarHBondContact CA-OE2 3.3Å; W3-E34 HydrophobicContact CE3-CB 3.92Å; W3-E34 HydrophobicContact CE3-CG 3.9Å; W3-E34 HydrophobicContact CZ3-CB 3.88Å; W3-E34 HydrophobicContact CZ3-CG 4.16Å; W3-Y106 HydrophobicContact CB-CD1 4.4Å; W3-Y106 HydrophobicContact CB-CE1 4.24Å; W3-Y106 AromaticContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CD1 3.47Å; W3-Y106 VanDerWaalsContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CE1 4.19Å; W3-Y106 HydrophobicContact CD2-CG 4.22Å; W3-Y106 AromaticContact CE2-CD1 3.82Å; W3-Y106 AromaticContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CE1 4.42Å; W3-Y106 HydrophobicContact CE3-CG 4.49Å; W3-Y106 AromaticContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CE1 4.1Å; W3-Y106 HydrophobicContact CH2-CD1 4.39Å; W3-Y106 VanDerWaalsContact CZ2-CB 3.47Å; W3-Y106 HydrophobicContact CZ2-CD1 4.3Å; W3-Y106 HydrophobicContact CZ2-CG 4.3Å; W3-Y106 HydrophobicContact CZ3-CD1 4.06Å; W3-V107 VanDerWaalsContact CH2-C 3.48Å; W3-A108 HydrophobicContact CH2-CB 3.87Å; W3-A108 HydrophobicContact CZ3-CB 4.37Å
4M94.2Very high94.3Very high97 Ų9778.3 Ų78.348%0.47838%0.381SS..Hα-helixtrans-58.5-39.7176.3-83-175.570.100110.7K6 E7 D8 E34 R47M4-K6 PolarHBondContact O-N 3.46Å; M4-E7 WeakPolarHBondContact O-CA 3.41Å; M4-E7 WeakPolarHBondContact O-CB 3.34Å; M4-E7 PolarHBondContact O-N 3.43Å; M4-D8 VanDerWaalsContact O-CG 3.25Å; M4-D8 PolarHBondContact O-N 3.08Å; M4-E34 PolarHBondContact N-OE2 3.36Å; M4-R47 PolarHBondContact SD-NH1 3.48Å; M4-R47 VanDerWaalsContact SD-NH1 3.4Å; M4-R47 PolarHBondContact SD-NH2 3.04Å
5F96.2Very high94.5Very high8 Ų876.1 Ų76.14%0.03538%0.376CS..Hα-helixtrans-56.3-35.5177.3-175.5-110.2000113.9W3 H9 R14 I32 E34 K48 F104 Y106W3-F5 PolarHBondContact O-N 3.15Å; F5-H9 AromaticContact CD2-CE1 3.61Å; F5-H9 AromaticContact CD2-ND1 3.4Å; F5-H9 WeakPolarHBondContact CD2-ND1 3.3Å; F5-H9 AromaticContact CE2-CE1 3.45Å; F5-H9 VanDerWaalsContact CE2-CE1 3.45Å; F5-H9 WeakPolarHBondContact CE2-CE1 3.33Å; F5-H9 AromaticContact CE2-CG 3.91Å; F5-H9 AromaticContact CE2-ND1 3.32Å; F5-H9 VanDerWaalsContact CE2-ND1 3.32Å; F5-H9 WeakPolarHBondContact CE2-ND1 3.24Å; F5-H9 PolarHBondContact O-N 3.39Å; F5-H9 PolarHBondContact O-ND1 2.97Å; F5-R14 HydrophobicContact CE1-CG 3.79Å; F5-R14 HydrophobicContact CZ-CG 4.18Å; F5-I32 HydrophobicContact CB-CG2 3.79Å; F5-I32 HydrophobicContact CD1-CB 4.49Å; F5-I32 HydrophobicContact CD1-CD1 3.59Å; F5-I32 HydrophobicContact CD1-CG1 3.62Å; F5-I32 HydrophobicContact CD1-CG2 4.12Å; F5-I32 HydrophobicContact CD2-CD1 4.22Å; F5-I32 HydrophobicContact CE1-CD1 3.52Å; F5-I32 HydrophobicContact CE1-CG1 3.84Å; F5-I32 HydrophobicContact CE2-CD1 4.19Å; F5-I32 HydrophobicContact CG-CD1 3.95Å; F5-I32 HydrophobicContact CG-CG1 4.24Å; F5-I32 HydrophobicContact CG-CG2 4.03Å; F5-I32 HydrophobicContact CZ-CD1 3.85Å; F5-E34 WeakPolarHBondContact CB-OE1 3.4Å; F5-E34 PolarHBondContact N-OE1 3.06Å; F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.66Å; F5-K48 HydrophobicContact CE2-CG 4.3Å; F5-K48 HydrophobicContact CZ-CD 4.01Å; F5-F104 HydrophobicContact CE1-CD2 4.23Å; F5-F104 HydrophobicContact CE1-CE2 4.12Å; F5-F104 HydrophobicContact CE1-CZ 4.4Å; F5-F104 HydrophobicContact CZ-CE2 4.34Å; F5-F104 HydrophobicContact CZ-CZ 4.31Å; F5-Y106 HydrophobicContact CD1-CE1 4.04Å
6K96.9Very high94.8Very high57 Ų5777.3 Ų77.325%0.24839%0.388CS..Hα-helixtrans-75.1-24.1176.4-67.7-164.4-177.7-165.80112.9W3 M4 H9 D100 Y106W3-K6 HydrophobicContact CB-CB 4.14Å; W3-K6 HydrophobicContact CB-CD 4.38Å; W3-K6 HydrophobicContact CB-CG 3.92Å; W3-K6 PolarHBondContact O-N 3.29Å; W3-K6 VanDerWaalsContact O-N 3.11Å; M4-K6 PolarHBondContact O-N 3.46Å; K6-H9 VanDerWaalsContact O-O 3.09Å; K6-D100 IonicContact NZ-OD1 2.84Å; K6-D100 PolarHBondContact NZ-OD1 2.89Å; K6-D100 IonicContact NZ-OD2 3.78Å; K6-D100 PolarHBondContact NZ-OD2 2.93Å; K6-Y106 HydrophobicContact CD-CE1 4.4Å; K6-Y106 VanDerWaalsContact CE-CE2 3.46Å; K6-Y106 VanDerWaalsContact CE-OH 3.31Å; K6-Y106 WeakPolarHBondContact CE-OH 3.36Å; K6-Y106 HydrophobicContact CG-CE1 3.89Å; K6-Y106 VanDerWaalsContact CG-OH 3.22Å; K6-Y106 WeakPolarHBondContact CG-OH 3.24Å
7E95.7Very high95Very high123 Ų12375.8 Ų75.858%0.57538%0.379SS*.Hα-helixtrans-79-38.3173.7-58.3-75.7128.700111.1K2 W3 M4 H9K2-E7 WeakPolarHBondContact CE-OE1 3.49Å; K2-E7 WeakPolarHBondContact CE-OE2 3.38Å; K2-E7 HydrophobicContact CG-CG 4.42Å; K2-E7 IonicContact NZ-OE1 2.7Å; K2-E7 IonicContact NZ-OE2 3.95Å; K2-E7 PolarHBondContact NZ-OE2 2.91Å; W3-E7 PolarHBondContact O-N 3.32Å; M4-E7 WeakPolarHBondContact O-CA 3.41Å; M4-E7 WeakPolarHBondContact O-CB 3.34Å; M4-E7 PolarHBondContact O-N 3.43Å; E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 3.26Å
8D96.2Very high95.1Very high98 Ų9871.9 Ų71.952%0.52436%0.361SS..Hα-helixtrans-74.7-20.1-177.5-64-23.7000112.4M4M4-D8 VanDerWaalsContact O-CG 3.25Å; M4-D8 PolarHBondContact O-N 3.08Å
9H96.9Very high95.3Very high55 Ų5571.3 Ų71.326%0.25537%0.368SS..SBendtrans-138.3130.2-173.9-52.180.3000112.3F5 K6 E7 H13 R14F5-H9 AromaticContact CD2-CE1 3.61Å; F5-H9 AromaticContact CD2-ND1 3.4Å; F5-H9 WeakPolarHBondContact CD2-ND1 3.3Å; F5-H9 AromaticContact CE2-CE1 3.45Å; F5-H9 VanDerWaalsContact CE2-CE1 3.45Å; F5-H9 WeakPolarHBondContact CE2-CE1 3.33Å; F5-H9 AromaticContact CE2-CG 3.91Å; F5-H9 AromaticContact CE2-ND1 3.32Å; F5-H9 VanDerWaalsContact CE2-ND1 3.32Å; F5-H9 WeakPolarHBondContact CE2-ND1 3.24Å; F5-H9 PolarHBondContact O-N 3.39Å; F5-H9 PolarHBondContact O-ND1 2.97Å; K6-H9 VanDerWaalsContact O-O 3.09Å; E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 3.26Å; H9-H13 AromaticContact CD2-CE1 3.76Å; H9-H13 AromaticContact CD2-ND1 3.61Å; H9-R14 HydrophobicContact CB-CG 3.82Å; H9-R14 PolarHBondContact O-NE 2.91Å
10S97.6Very high95.4Very high73 Ų7375.7 Ų75.751%0.5138%0.384SS..  trans-59.3153174.669.30000111.8E12 H13 R14S10-E12 VanDerWaalsContact C-N 3.28Å; S10-E12 PolarHBondContact O-N 3.5Å; S10-H13 PolarHBondContact O-N 2.94Å; S10-H13 WeakPolarHBondContact OG-CB 3.24Å; S10-H13 PolarHBondContact OG-N 2.96Å; S10-R14 WeakPolarHBondContact O-CG 3.37Å; S10-R14 PolarHBondContact O-N 3.4Å
11L98Very high95.5Very high72 Ų7274.3 Ų74.338%0.37738%0.378SS..Hα-helixtrans-54.1-46.5176.1176.161.3000111.5H13 R14 C15 E101 D102L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.37Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 VanDerWaalsContact O-N 3.15Å; L11-C15 PolarHBondContact O-N 3.05Å; L11-C15 PolarHBondContact O-SG 2.69Å; L11-E101 HydrophobicContact CD1-CG 4.08Å; L11-D102 HydrophobicContact CD1-CB 3.75Å
12E98.2Very high96.6Very high154 Ų15473.5 Ų73.572%0.7237%0.37SS*.Hα-helixtrans-58.7-44.4179.6-171.8176.3-171.200112.3S10 R14 C15 V16S10-E12 VanDerWaalsContact C-N 3.28Å; S10-E12 PolarHBondContact O-N 3.5Å; E12-R14 PolarHBondContact O-N 3.02Å; E12-C15 PolarHBondContact O-N 2.9Å; E12-V16 WeakPolarHBondContact O-CG2 3.28Å; E12-V16 PolarHBondContact O-N 3.27Å
13H98.1Very high97.2Very high90 Ų9070.6 Ų70.642%0.41737%0.373SS..Hα-helixtrans-62.1-43.7176.4178.9-93.2000111.6H9 S10 L11 V16 E17H9-H13 AromaticContact CD2-CE1 3.76Å; H9-H13 AromaticContact CD2-ND1 3.61Å; S10-H13 PolarHBondContact O-N 2.94Å; S10-H13 WeakPolarHBondContact OG-CB 3.24Å; S10-H13 PolarHBondContact OG-N 2.96Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.37Å; H13-V16 PolarHBondContact O-N 2.95Å; H13-E17 IonicContact CE1-OE2 3.34Å; H13-E17 PolarHBondContact CE1-OE2 3.38Å; H13-E17 VanDerWaalsContact CE1-OE2 3.27Å; H13-E17 IonicContact ND1-OE2 3.5Å; H13-E17 WeakPolarHBondContact O-CB 3.48Å; H13-E17 PolarHBondContact O-N 3.4Å
14R98.4Very high97.4Very high15 Ų1575.8 Ų75.86%0.05740%0.397CS..Hα-helixtrans-62.5-44.7178-67-176-70.8119.32.7111.7F5 H9 S10 L11 E12 V16 E17 S18 D100 D102 F104 Y106F5-R14 HydrophobicContact CE1-CG 3.79Å; F5-R14 HydrophobicContact CZ-CG 4.18Å; H9-R14 HydrophobicContact CB-CG 3.82Å; H9-R14 PolarHBondContact O-NE 2.91Å; S10-R14 WeakPolarHBondContact O-CG 3.37Å; S10-R14 PolarHBondContact O-N 3.4Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 VanDerWaalsContact O-N 3.15Å; E12-R14 PolarHBondContact O-N 3.02Å; R14-V16 PolarHBondContact O-N 3.3Å; R14-E17 PolarHBondContact O-N 3.46Å; R14-S18 WeakPolarHBondContact O-CB 3.18Å; R14-S18 PolarHBondContact O-N 3.29Å; R14-S18 PolarHBondContact O-OG 3.22Å; R14-D100 IonicContact NH1-OD1 2.97Å; R14-D102 HydrophobicContact CB-CB 3.81Å; R14-D102 WeakPolarHBondContact CB-OD2 3.38Å; R14-D102 VanDerWaalsContact CD-OD2 3.31Å; R14-D102 WeakPolarHBondContact CD-OD2 3.41Å; R14-D102 IonicContact CZ-OD2 3.75Å; R14-D102 IonicContact NE-OD2 2.75Å; R14-D102 VanDerWaalsContact NH1-CB 3.26Å; R14-D102 IonicContact NH1-OD2 3.83Å; R14-D102 PolarHBondContact NH1-OD2 3.2Å; R14-F104 HydrophobicContact CB-CD2 4.43Å; R14-F104 HydrophobicContact CB-CE2 4.25Å; R14-F104 WeakPolarHBondContact O-CE2 3.21Å; R14-Y106 WeakPolarHBondContact CD-OH 3.14Å; R14-Y106 PolarHBondContact NH1-OH 2.84Å; R14-Y106 VanDerWaalsContact NH1-OH 3.07Å
15C98.3Very high97.6Very high46 Ų4675 Ų7531%0.31139%0.389SS..Hα-helixtrans-59-46.1176.1-66.30000112.4L11 E12 S18 A19 D102L11-C15 PolarHBondContact O-N 3.05Å; L11-C15 PolarHBondContact O-SG 2.69Å; E12-C15 PolarHBondContact O-N 2.9Å; C15-S18 PolarHBondContact O-OG 3.37Å; C15-S18 VanDerWaalsContact O-OG 3.08Å; C15-A19 VanDerWaalsContact O-CB 3.24Å; C15-A19 WeakPolarHBondContact O-CB 3.34Å; C15-A19 PolarHBondContact O-N 3.45Å; C15-D102 WeakPolarHBondContact CA-O 3.15Å
16V98.4Very high97.7Very high94 Ų9479.1 Ų79.157%0.5742%0.416SS*.Hα-helixtrans-65.4-43.1179.11720000110.7E12 H13 R14 K20E12-V16 WeakPolarHBondContact O-CG2 3.28Å; E12-V16 PolarHBondContact O-N 3.27Å; H13-V16 PolarHBondContact O-N 2.95Å; R14-V16 PolarHBondContact O-N 3.3Å; V16-K20 WeakPolarHBondContact O-CB 3.46Å; V16-K20 PolarHBondContact O-N 2.96Å
17E97.9Very high97.7Very high52 Ų5280.6 Ų80.624%0.24343%0.427CS..Hα-helixtrans-64.4-47.9-179.9-170.7179.2162.800111.8H13 R14 K20 I21 K48 F104H13-E17 IonicContact CE1-OE2 3.34Å; H13-E17 PolarHBondContact CE1-OE2 3.38Å; H13-E17 VanDerWaalsContact CE1-OE2 3.27Å; H13-E17 IonicContact ND1-OE2 3.5Å; H13-E17 WeakPolarHBondContact O-CB 3.48Å; H13-E17 PolarHBondContact O-N 3.4Å; R14-E17 PolarHBondContact O-N 3.46Å; E17-K20 PolarHBondContact O-N 3.04Å; E17-I21 PolarHBondContact O-N 2.72Å; E17-K48 IonicContact OE1-NZ 2.69Å; E17-K48 PolarHBondContact OE1-NZ 3.01Å; E17-K48 IonicContact OE2-NZ 3.54Å; E17-F104 HydrophobicContact CB-CZ 4.39Å; E17-F104 HydrophobicContact CG-CZ 4.22Å
18S98Very high97.9Very high7 Ų779.2 Ų79.25%0.04942%0.416CS..Hα-helixtrans-64.3-43.9-179.7710000111.7R14 C15 K20 I21 R22 D102R14-S18 WeakPolarHBondContact O-CB 3.18Å; R14-S18 PolarHBondContact O-N 3.29Å; R14-S18 PolarHBondContact O-OG 3.22Å; C15-S18 PolarHBondContact O-OG 3.37Å; C15-S18 VanDerWaalsContact O-OG 3.08Å; S18-K20 PolarHBondContact O-N 2.8Å; S18-I21 WeakPolarHBondContact O-CG2 3.39Å; S18-I21 PolarHBondContact O-N 2.75Å; S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 VanDerWaalsContact O-CG 3.24Å; S18-R22 WeakPolarHBondContact O-CG 3.44Å; S18-R22 PolarHBondContact O-N 2.94Å; S18-D102 WeakPolarHBondContact CB-O 3.47Å; S18-D102 PolarHBondContact OG-O 2.79Å
19A98.1Very high98Very high60 Ų6074.6 Ų74.650%0.49639%0.392SS..Hα-helixtrans-62.6-44.6177.900000111C15 R22 A23C15-A19 VanDerWaalsContact O-CB 3.24Å; C15-A19 WeakPolarHBondContact O-CB 3.34Å; C15-A19 PolarHBondContact O-N 3.45Å; A19-R22 PolarHBondContact O-N 2.85Å; A19-A23 WeakPolarHBondContact O-CB 3.45Å; A19-A23 PolarHBondContact O-N 3.04Å
20K98.3Very high98.1Very high159 Ų15972.1 Ų72.169%0.69138%0.381SS*.Hα-helixtrans-62.3-45177.9-177.4178.8-179.9177.90112.1V16 E17 S18 K24V16-K20 WeakPolarHBondContact O-CB 3.46Å; V16-K20 PolarHBondContact O-N 2.96Å; E17-K20 PolarHBondContact O-N 3.04Å; S18-K20 PolarHBondContact O-N 2.8Å; K20-K24 WeakPolarHBondContact O-CB 3.32Å; K20-K24 PolarHBondContact O-N 2.62Å; K20-K24 VanDerWaalsContact O-N 3.15Å
21I97.6Very high98.1Very high47 Ų4768.7 Ų68.724%0.24136%0.357CS..Hα-helixtrans-72.4-36.1-177.8-160.768.4000111.9E17 S18 K24 Y25 P30 L50E17-I21 PolarHBondContact O-N 2.72Å; S18-I21 WeakPolarHBondContact O-CG2 3.39Å; S18-I21 PolarHBondContact O-N 2.75Å; I21-K24 PolarHBondContact O-N 3.3Å; I21-Y25 HydrophobicContact CD1-CD2 3.54Å; I21-Y25 HydrophobicContact CD1-CE2 3.56Å; I21-Y25 HydrophobicContact CG1-CD2 4.01Å; I21-Y25 HydrophobicContact CG1-CE2 4.5Å; I21-Y25 PolarHBondContact O-N 3.01Å; I21-P30 HydrophobicContact CG2-CB 3.88Å; I21-P30 HydrophobicContact CG2-CG 4.2Å; I21-L50 HydrophobicContact CD1-CD2 4.23Å; I21-L50 HydrophobicContact CG1-CD1 3.86Å; I21-L50 HydrophobicContact CG1-CD2 4.05Å
22R97.6Very high98.1Very high61 Ų6165.2 Ų65.223%0.2334%0.339CS..Hα-helixtrans-65.1-40.9174-74.1-73.1-67.2154.5-6.2112.1S18 A19 K24 Y25 P26 R28 P30S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 VanDerWaalsContact O-CG 3.24Å; S18-R22 WeakPolarHBondContact O-CG 3.44Å; S18-R22 PolarHBondContact O-N 2.94Å; A19-R22 PolarHBondContact O-N 2.85Å; R22-K24 VanDerWaalsContact C-N 3.28Å; R22-K24 PolarHBondContact O-N 2.83Å; R22-Y25 CarbonylContact O-C 3.49Å; R22-Y25 PolarHBondContact O-N 3.5Å; R22-P26 PolarHBondContact NH1-O 3.28Å; R22-P26 VanDerWaalsContact O-CA 3.3Å; R22-P26 WeakPolarHBondContact O-CA 3.4Å; R22-R28 WeakPolarHBondContact CD-O 3.49Å; R22-R28 PolarHBondContact NH1-O 3.01Å; R22-P30 VanDerWaalsContact CD-CD 3.42Å; R22-P30 HydrophobicContact CG-CG 4.12Å
23A97.9Very high98.1Very high85 Ų8557.9 Ų57.970%0.70230%0.304SS*.Hα-helixtrans-63.9-35.717500000112.1A19A19-A23 WeakPolarHBondContact O-CB 3.45Å; A19-A23 PolarHBondContact O-N 3.04Å
24K98.3Very high98.1Very high139 Ų13954.2 Ų54.260%0.60429%0.287SS*.Hα-helixtrans-76.9-33.7179.3-168.8175.7179.6-166.70113.5K20 I21 R22K20-K24 WeakPolarHBondContact O-CB 3.32Å; K20-K24 PolarHBondContact O-N 2.62Å; K20-K24 VanDerWaalsContact O-N 3.15Å; I21-K24 PolarHBondContact O-N 3.3Å; R22-K24 VanDerWaalsContact C-N 3.28Å; R22-K24 PolarHBondContact O-N 2.83Å
25Y98.2Very high97.9Very high81 Ų8156.2 Ų56.232%0.31830%0.296SS..  trans-134.275.4-177-55.2-75.9000110.3I21 R22 D27 R28 L50I21-Y25 HydrophobicContact CD1-CD2 3.54Å; I21-Y25 HydrophobicContact CD1-CE2 3.56Å; I21-Y25 HydrophobicContact CG1-CD2 4.01Å; I21-Y25 HydrophobicContact CG1-CE2 4.5Å; I21-Y25 PolarHBondContact O-N 3.01Å; R22-Y25 CarbonylContact O-C 3.49Å; R22-Y25 PolarHBondContact O-N 3.5Å; Y25-D27 PolarHBondContact O-N 2.54Å; Y25-R28 PolarHBondContact O-N 3.08Å; Y25-R28 VanDerWaalsContact O-N 3.08Å; Y25-L50 HydrophobicContact CD1-CD2 4.5Å; Y25-L50 HydrophobicContact CD2-CD2 3.41Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.41Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.7Å
26P97.4Very high97.7Very high93 Ų9354.4 Ų54.460%0.60428%0.284SS*.THydrogen-bonded Turntrans-65.6-26.2-171.825.3-34.6000113.6R22 R28R22-P26 PolarHBondContact NH1-O 3.28Å; R22-P26 VanDerWaalsContact O-CA 3.3Å; R22-P26 WeakPolarHBondContact O-CA 3.4Å; P26-R28 PolarHBondContact O-N 3.23Å
27D97.8Very high97.3Very high89 Ų8955.1 Ų55.148%0.47629%0.293SS..THydrogen-bonded Turntrans-77.6-2.7176.864.3-44.6000113.6Y25 S53Y25-D27 PolarHBondContact O-N 2.54Å; D27-S53 VanDerWaalsContact O-CB 3.28Å; D27-S53 WeakPolarHBondContact O-CB 3.41Å; D27-S53 PolarHBondContact O-N 3.21Å; D27-S53 PolarHBondContact O-OG 3.3Å
28R98.5Very high96.9Very high93 Ų9355.9 Ų55.935%0.35132%0.315SS..EExtended strand (participates in β ladder)trans-124.9144.3-175.6-57.4-169.4176.5-138.60.5113.8R22 Y25 P26 L50 V51R22-R28 WeakPolarHBondContact CD-O 3.49Å; R22-R28 PolarHBondContact NH1-O 3.01Å; Y25-R28 PolarHBondContact O-N 3.08Å; Y25-R28 VanDerWaalsContact O-N 3.08Å; P26-R28 PolarHBondContact O-N 3.23Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.27Å; R28-L50 HydrophobicContact CB-CG 3.64Å; R28-L50 HydrophobicContact CG-CG 4.29Å; R28-L50 PolarHBondContact NH1-O 2.9Å; R28-V51 CarbonylContact C-O 3.34Å; R28-V51 WeakPolarHBondContact CA-O 3.12Å; R28-V51 WeakPolarHBondContact CB-O 3.41Å
29V98.4Very high96.6Very high1 Ų156 Ų561%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-101.6131.1178.2-62.20000110.7V31 V51 M91 Y95V29-V31 HydrophobicContact CG2-CG2 3.86Å; V29-V51 HydrophobicContact CG2-CB 3.96Å; V29-V51 PolarHBondContact N-O 2.93Å; V29-V51 PolarHBondContact O-N 3.31Å; V29-M91 HydrophobicContact CG2-CB 3.97Å; V29-Y95 HydrophobicContact CB-CD2 3.88Å; V29-Y95 HydrophobicContact CB-CG 4Å; V29-Y95 HydrophobicContact CG1-CD1 4.05Å; V29-Y95 HydrophobicContact CG1-CD2 4.04Å; V29-Y95 HydrophobicContact CG1-CG 3.64Å
30P98.6Very high96.3Very high3 Ų361.5 Ų61.52%0.01933%0.331CS..EExtended strand (participates in β ladder)trans-79.5123.3173.533.6-35.4000109.4I21 R22 Y49 L50 Y95 G103 F104 L105I21-P30 HydrophobicContact CG2-CB 3.88Å; I21-P30 HydrophobicContact CG2-CG 4.2Å; R22-P30 VanDerWaalsContact CD-CD 3.42Å; R22-P30 HydrophobicContact CG-CG 4.12Å; P30-Y49 WeakPolarHBondContact CA-O 3.05Å; P30-L50 HydrophobicContact CB-CD1 4.47Å; P30-Y95 HydrophobicContact CG-CE2 4.18Å; P30-G103 WeakPolarHBondContact CG-O 3.31Å; P30-F104 HydrophobicContact CB-CD1 3.61Å; P30-F104 HydrophobicContact CB-CE1 3.66Å; P30-F104 HydrophobicContact CG-CD1 4.19Å; P30-F104 HydrophobicContact CG-CE1 4.49Å; P30-L105 PolarHBondContact O-N 3.38Å
31V98.7Very high96.1Very high1 Ų154.6 Ų54.61%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-125.4130-174.3-171.10000110V29 V33 Y49 V51 F60 M91 L105 V107V29-V31 HydrophobicContact CG2-CG2 3.86Å; V31-V33 HydrophobicContact CG1-CG2 3.95Å; V31-Y49 PolarHBondContact N-O 3.21Å; V31-Y49 PolarHBondContact O-N 3.32Å; V31-V51 HydrophobicContact CB-CG2 4.21Å; V31-V51 HydrophobicContact CG2-CB 4.27Å; V31-V51 HydrophobicContact CG2-CG2 3.71Å; V31-F60 HydrophobicContact CB-CZ 4.44Å; V31-F60 HydrophobicContact CG1-CE1 4.19Å; V31-F60 HydrophobicContact CG1-CZ 3.94Å; V31-M91 HydrophobicContact CG1-CE 4.49Å; V31-M91 HydrophobicContact CG2-CE 3.96Å; V31-L105 CarbonylContact C-O 3.52Å; V31-L105 VanDerWaalsContact CA-O 3.3Å; V31-L105 WeakPolarHBondContact CA-O 3.44Å; V31-L105 HydrophobicContact CG1-CD2 4.5Å; V31-L105 HydrophobicContact CG2-CB 4.4Å; V31-L105 HydrophobicContact CG2-CD2 4.31Å; V31-V107 HydrophobicContact CG1-CB 4.19Å; V31-V107 HydrophobicContact CG1-CG2 3.6Å
32I98.5Very high96Very high0 Ų056.1 Ų56.10%031%0.313CS..EExtended strand (participates in β ladder)trans-98.3122.9170.1-56.1-59000108F5 E34 R47 K48 F104 L105 Y106 V107F5-I32 HydrophobicContact CB-CG2 3.79Å; F5-I32 HydrophobicContact CD1-CB 4.49Å; F5-I32 HydrophobicContact CD1-CD1 3.59Å; F5-I32 HydrophobicContact CD1-CG1 3.62Å; F5-I32 HydrophobicContact CD1-CG2 4.12Å; F5-I32 HydrophobicContact CD2-CD1 4.22Å; F5-I32 HydrophobicContact CE1-CD1 3.52Å; F5-I32 HydrophobicContact CE1-CG1 3.84Å; F5-I32 HydrophobicContact CE2-CD1 4.19Å; F5-I32 HydrophobicContact CG-CD1 3.95Å; F5-I32 HydrophobicContact CG-CG1 4.24Å; F5-I32 HydrophobicContact CG-CG2 4.03Å; F5-I32 HydrophobicContact CZ-CD1 3.85Å; I32-E34 HydrophobicContact CG2-CG 4.09Å; I32-R47 CarbonylContact C-O 3.49Å; I32-R47 WeakPolarHBondContact CA-O 3.4Å; I32-K48 HydrophobicContact CD1-CB 4.38Å; I32-K48 HydrophobicContact CD1-CD 4.12Å; I32-K48 HydrophobicContact CD1-CG 3.68Å; I32-F104 HydrophobicContact CD1-CD1 3.66Å; I32-F104 HydrophobicContact CD1-CE1 3.88Å; I32-F104 HydrophobicContact CD1-CG 4.27Å; I32-F104 HydrophobicContact CG1-CB 3.95Å; I32-F104 HydrophobicContact CG1-CD1 3.69Å; I32-F104 HydrophobicContact CG1-CE1 4.4Å; I32-F104 HydrophobicContact CG1-CG 3.92Å; I32-L105 PolarHBondContact N-O 3.15Å; I32-Y106 HydrophobicContact CB-CD1 3.74Å; I32-Y106 HydrophobicContact CB-CE1 3.88Å; I32-Y106 HydrophobicContact CB-CG 4.39Å; I32-Y106 HydrophobicContact CG1-CD1 4.24Å; I32-Y106 HydrophobicContact CG1-CE1 3.93Å; I32-Y106 HydrophobicContact CG2-CD1 3.89Å; I32-Y106 HydrophobicContact CG2-CE1 3.9Å; I32-V107 PolarHBondContact O-N 3.05Å
33V98Very high95.9Very high0 Ų058.2 Ų58.20%033%0.329CS..EExtended strand (participates in β ladder)trans-116.5115.6-178.3-175.50000109.6V31 I44 R47 Y49 F60 I64 V107 Y109V31-V33 HydrophobicContact CG1-CG2 3.95Å; V33-I44 HydrophobicContact CG1-CD1 4.1Å; V33-R47 PolarHBondContact N-O 3.41Å; V33-R47 WeakPolarHBondContact O-CA 3.36Å; V33-R47 VanDerWaalsContact O-CB 3.32Å; V33-R47 WeakPolarHBondContact O-CB 3.36Å; V33-R47 WeakPolarHBondContact O-CG 3.43Å; V33-Y49 HydrophobicContact CB-CD2 4.04Å; V33-Y49 HydrophobicContact CB-CE2 3.94Å; V33-Y49 HydrophobicContact CG2-CD2 3.54Å; V33-Y49 HydrophobicContact CG2-CE2 3.89Å; V33-Y49 HydrophobicContact CG2-CG 4.48Å; V33-F60 HydrophobicContact CG2-CE1 4.17Å; V33-F60 HydrophobicContact CG2-CZ 3.65Å; V33-I64 HydrophobicContact CG1-CD1 4.12Å; V33-I64 HydrophobicContact CG2-CD1 4.12Å; V33-V107 VanDerWaalsContact CA-O 3.25Å; V33-V107 WeakPolarHBondContact CA-O 3.48Å; V33-Y109 HydrophobicContact CG1-CD1 3.61Å; V33-Y109 HydrophobicContact CG1-CE1 4.01Å
34E97Very high95.8Very high13 Ų1355 Ų556%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-129151.8178.3-60.1-161.4156.700112.2W3 M4 F5 I32 R47 V107 A108 Y109W3-E34 WeakPolarHBondContact CA-OE2 3.3Å; W3-E34 HydrophobicContact CE3-CB 3.92Å; W3-E34 HydrophobicContact CE3-CG 3.9Å; W3-E34 HydrophobicContact CZ3-CB 3.88Å; W3-E34 HydrophobicContact CZ3-CG 4.16Å; M4-E34 PolarHBondContact N-OE2 3.36Å; F5-E34 WeakPolarHBondContact CB-OE1 3.4Å; F5-E34 PolarHBondContact N-OE1 3.06Å; I32-E34 HydrophobicContact CG2-CG 4.09Å; E34-R47 HydrophobicContact CG-CG 4.5Å; E34-R47 IonicContact OE1-NH1 3.3Å; E34-R47 PolarHBondContact OE1-NH1 2.92Å; E34-V107 PolarHBondContact N-O 3.37Å; E34-V107 VanDerWaalsContact N-O 3.1Å; E34-A108 CarbonylContact O-C 3.56Å; E34-A108 WeakPolarHBondContact O-CA 3.33Å; E34-Y109 WeakPolarHBondContact O-CD1 3.4Å; E34-Y109 WeakPolarHBondContact O-CE1 3.18Å; E34-Y109 PolarHBondContact O-N 3.47Å
35K95.3Very high95.6Very high57 Ų5753.4 Ų53.425%0.24830%0.298CS..EExtended strand (participates in β ladder)trans-74.8140.6176.6-164.4173.268.4-177.70109.4S37 S39 I41 D43 Y109K35-S37 PolarHBondContact O-N 3.26Å; K35-S39 WeakPolarHBondContact CE-O 3.18Å; K35-I41 HydrophobicContact CD-CG2 3.65Å; K35-I41 WeakPolarHBondContact CD-O 3.4Å; K35-I41 HydrophobicContact CG-CG2 3.76Å; K35-I41 PolarHBondContact NZ-O 2.95Å; K35-D43 WeakPolarHBondContact CD-OD1 3.38Å; K35-D43 WeakPolarHBondContact CE-OD1 3.5Å; K35-D43 IonicContact NZ-OD1 2.77Å; K35-D43 PolarHBondContact NZ-OD1 3.28Å; K35-D43 IonicContact NZ-OD2 2.64Å; K35-D43 PolarHBondContact NZ-OD2 3.37Å; K35-Y109 HydrophobicContact CB-CE1 3.91Å; K35-Y109 HydrophobicContact CB-CE2 4.21Å; K35-Y109 WeakPolarHBondContact CB-OH 3.2Å; K35-Y109 HydrophobicContact CD-CE2 4.4Å; K35-Y109 HydrophobicContact CG-CE2 3.97Å; K35-Y109 VanDerWaalsContact N-CE1 3.29Å
36V93.9Very high95.4Very high8 Ų855.7 Ų55.75%0.04831%0.309CS..PPolyproline II helixtrans-63.3129.7167.9-179.60000109.5G38 S39 F79 A108 Y109 F115V36-G38 PolarHBondContact O-N 3.45Å; V36-S39 WeakPolarHBondContact O-CB 3.45Å; V36-S39 PolarHBondContact O-N 3.35Å; V36-S39 VanDerWaalsContact O-N 3.08Å; V36-F79 HydrophobicContact CG2-CD2 4.4Å; V36-A108 HydrophobicContact CG2-CB 3.82Å; V36-Y109 PolarHBondContact N-O 3.5Å; V36-F115 HydrophobicContact CB-CE2 4.35Å; V36-F115 HydrophobicContact CG1-CD2 4.36Å; V36-F115 HydrophobicContact CG1-CE2 3.78Å; V36-F115 HydrophobicContact CG1-CZ 4.13Å; V36-F115 HydrophobicContact CG2-CD2 4.18Å; V36-F115 HydrophobicContact CG2-CE2 3.59Å
37S89.6Confident95.3Very high108 Ų10855.4 Ų55.476%0.75530%0.296SS*.THydrogen-bonded Turntrans-53.3134.7175.8-57.70000111.1K35 S39K35-S37 PolarHBondContact O-N 3.26Å; S37-S39 VanDerWaalsContact C-N 3.25Å; S37-S39 PolarHBondContact O-N 3.41Å
38G88.7Confident95.3Very high69 Ų6955.8 Ų55.871%0.71129%0.294SS*.THydrogen-bonded Turntrans83.9-15.6-178.200000115.1V36 Q40V36-G38 PolarHBondContact O-N 3.45Å; G38-Q40 PolarHBondContact O-N 2.84Å; G38-Q40 PolarHBondContact O-NE2 2.82Å
39S92.3Very high95.3Very high8 Ų853.4 Ų53.46%0.05629%0.285CS..  trans-65.5133.3178.1-163.80000111.7K35 V36 S37 I41 S110 G111K35-S39 WeakPolarHBondContact CE-O 3.18Å; V36-S39 WeakPolarHBondContact O-CB 3.45Å; V36-S39 PolarHBondContact O-N 3.35Å; V36-S39 VanDerWaalsContact O-N 3.08Å; S37-S39 VanDerWaalsContact C-N 3.25Å; S37-S39 PolarHBondContact O-N 3.41Å; S39-I41 PolarHBondContact O-N 3.19Å; S39-I41 WeakPolarHBondContact OG-CG2 3.46Å; S39-S110 PolarHBondContact OG-OG 2.8Å; S39-G111 PolarHBondContact OG-N 3.04Å
40Q91.8Very high95.3Very high177 Ų17755.7 Ų55.783%0.82730%0.297SS*.  trans-81.93.7178.9-57.5-57.2-56.300113.4G38G38-Q40 PolarHBondContact O-N 2.84Å; G38-Q40 PolarHBondContact O-NE2 2.82Å
41I94.6Very high95.3Very high13 Ų1355.8 Ų55.87%0.06730%0.298CS..SBendtrans-69.2150.7174.4-163.5161.6000110.8K35 S39 I68 L70 I76 Y109K35-I41 HydrophobicContact CD-CG2 3.65Å; K35-I41 WeakPolarHBondContact CD-O 3.4Å; K35-I41 HydrophobicContact CG-CG2 3.76Å; K35-I41 PolarHBondContact NZ-O 2.95Å; S39-I41 PolarHBondContact O-N 3.19Å; S39-I41 WeakPolarHBondContact OG-CG2 3.46Å; I41-I68 HydrophobicContact CD1-CD1 3.82Å; I41-I68 HydrophobicContact CG1-CD1 3.79Å; I41-L70 HydrophobicContact CD1-CD1 4.34Å; I41-L70 HydrophobicContact CD1-CD2 3.97Å; I41-L70 HydrophobicContact CG1-CD1 4.19Å; I41-I76 HydrophobicContact CD1-CB 4.2Å; I41-I76 HydrophobicContact CD1-CD1 4.26Å; I41-I76 HydrophobicContact CD1-CG1 4Å; I41-Y109 HydrophobicContact CD1-CD2 4.2Å; I41-Y109 HydrophobicContact CG1-CE2 4.47Å; I41-Y109 HydrophobicContact CG2-CD2 3.83Å; I41-Y109 HydrophobicContact CG2-CE2 3.66Å
42V95.3Very high95.2Very high79 Ų7957.7 Ų57.748%0.47931%0.31SS..PPolyproline II helixtrans-62.3140-178.1-175.30000110.4I68 Y109V42-I68 HydrophobicContact CB-CB 4.44Å; V42-Y109 WeakPolarHBondContact O-CE2 3.44Å; V42-Y109 PolarHBondContact O-OH 3.34Å
43D94.9Very high95.2Very high106 Ų10659.5 Ų59.557%0.56732%0.323SS*.PPolyproline II helixtrans-68.5144.7176.5-71.5-63.5000112.6K35 Y109K35-D43 WeakPolarHBondContact CD-OD1 3.38Å; K35-D43 WeakPolarHBondContact CE-OD1 3.5Å; K35-D43 IonicContact NZ-OD1 2.77Å; K35-D43 PolarHBondContact NZ-OD1 3.28Å; K35-D43 IonicContact NZ-OD2 2.64Å; K35-D43 PolarHBondContact NZ-OD2 3.37Å; D43-Y109 WeakPolarHBondContact CA-OH 3.42Å
44I95.9Very high95.2Very high16 Ų1665 Ų658%0.08235%0.352CS..PPolyproline II helixtrans-87.7133.2174.4-156.9168.8000109.6V33 K46 R47 Y49 I64 R67 I68 Y109V33-I44 HydrophobicContact CG1-CD1 4.1Å; I44-K46 WeakPolarHBondContact CG1-O 3.21Å; I44-R47 HydrophobicContact CG2-CG 4.32Å; I44-Y49 HydrophobicContact CD1-CE2 3.87Å; I44-Y49 WeakPolarHBondContact CD1-OH 3.31Å; I44-Y49 WeakPolarHBondContact CG1-OH 3.3Å; I44-I64 HydrophobicContact CD1-CD1 3.94Å; I44-I64 HydrophobicContact CD1-CG2 4.13Å; I44-R67 HydrophobicContact CD1-CG 4.22Å; I44-R67 HydrophobicContact CG1-CG 3.93Å; I44-I68 HydrophobicContact CB-CG2 3.83Å; I44-I68 HydrophobicContact CD1-CG2 4.35Å; I44-I68 HydrophobicContact CG1-CG2 3.84Å; I44-Y109 HydrophobicContact CB-CE1 4.16Å; I44-Y109 WeakPolarHBondContact CB-OH 3.49Å; I44-Y109 HydrophobicContact CG2-CE1 3.86Å; I44-Y109 PolarHBondContact N-OH 2.96Å
45D94Very high95.3Very high107 Ų10765.6 Ų65.657%0.57236%0.355SS*.SBendtrans-72.3-34.3-175.970.2-37.7000112.8R67D45-R67 IonicContact OD1-CZ 3.87Å; D45-R67 IonicContact OD1-NE 3.42Å; D45-R67 PolarHBondContact OD1-NE 2.9Å; D45-R67 IonicContact OD1-NH2 2.75Å; D45-R67 PolarHBondContact OD1-NH2 3.32Å; D45-R67 IonicContact OD2-CZ 3.27Å; D45-R67 IonicContact OD2-NE 3.4Å; D45-R67 IonicContact OD2-NH2 3.54Å; D45-R67 PolarHBondContact OD2-NH2 2.94Å
46K94.8Very high95.5Very high128 Ų12864.6 Ų64.656%0.55735%0.354SS*.  trans-122.7132.7176.2-66.2-173.1-178.8-175.70109.9I44 Y49I44-K46 WeakPolarHBondContact CG1-O 3.21Å; K46-Y49 WeakPolarHBondContact O-CE2 3.45Å; K46-Y49 VanDerWaalsContact O-CZ 3.25Å; K46-Y49 PolarHBondContact O-OH 3.32Å
47R95.6Very high95.7Very high87 Ų8764.3 Ų64.333%0.32835%0.352SS..  trans-97.8-26.6-179-58.1175.2-170.8-178.55113M4 I32 V33 E34 I44 Y49M4-R47 PolarHBondContact SD-NH1 3.48Å; M4-R47 VanDerWaalsContact SD-NH1 3.4Å; M4-R47 PolarHBondContact SD-NH2 3.04Å; I32-R47 CarbonylContact C-O 3.49Å; I32-R47 WeakPolarHBondContact CA-O 3.4Å; V33-R47 PolarHBondContact N-O 3.41Å; V33-R47 WeakPolarHBondContact O-CA 3.36Å; V33-R47 VanDerWaalsContact O-CB 3.32Å; V33-R47 WeakPolarHBondContact O-CB 3.36Å; V33-R47 WeakPolarHBondContact O-CG 3.43Å; E34-R47 HydrophobicContact CG-CG 4.5Å; E34-R47 IonicContact OE1-NH1 3.3Å; E34-R47 PolarHBondContact OE1-NH1 2.92Å; I44-R47 HydrophobicContact CG2-CG 4.32Å; R47-Y49 WeakPolarHBondContact O-CD2 3.41Å
48K97.1Very high96.1Very high98 Ų9861.1 Ų61.143%0.42633%0.333SS..EExtended strand (participates in β ladder)trans-93.4123.9-178.4-57.1-161.7-66.4-174.20111F5 E17 I32F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.66Å; F5-K48 HydrophobicContact CE2-CG 4.3Å; F5-K48 HydrophobicContact CZ-CD 4.01Å; E17-K48 IonicContact OE1-NZ 2.69Å; E17-K48 PolarHBondContact OE1-NZ 3.01Å; E17-K48 IonicContact OE2-NZ 3.54Å; I32-K48 HydrophobicContact CD1-CB 4.38Å; I32-K48 HydrophobicContact CD1-CD 4.12Å; I32-K48 HydrophobicContact CD1-CG 3.68Å
49Y98.1Very high96.6Very high42 Ų4262.7 Ų62.717%0.16532%0.321CS..EExtended strand (participates in β ladder)trans-124.5148.3177.9-67.7-92.5000111P30 V31 V33 I44 K46 R47 I64P30-Y49 WeakPolarHBondContact CA-O 3.05Å; V31-Y49 PolarHBondContact N-O 3.21Å; V31-Y49 PolarHBondContact O-N 3.32Å; V33-Y49 HydrophobicContact CB-CD2 4.04Å; V33-Y49 HydrophobicContact CB-CE2 3.94Å; V33-Y49 HydrophobicContact CG2-CD2 3.54Å; V33-Y49 HydrophobicContact CG2-CE2 3.89Å; V33-Y49 HydrophobicContact CG2-CG 4.48Å; I44-Y49 HydrophobicContact CD1-CE2 3.87Å; I44-Y49 WeakPolarHBondContact CD1-OH 3.31Å; I44-Y49 WeakPolarHBondContact CG1-OH 3.3Å; K46-Y49 WeakPolarHBondContact O-CE2 3.45Å; K46-Y49 VanDerWaalsContact O-CZ 3.25Å; K46-Y49 PolarHBondContact O-OH 3.32Å; R47-Y49 WeakPolarHBondContact O-CD2 3.41Å; Y49-I64 HydrophobicContact CE1-CD1 4.42Å; Y49-I64 HydrophobicContact CE2-CD1 4.23Å
50L98.1Very high96.8Very high49 Ų4962.4 Ų62.426%0.25732%0.319SS..EExtended strand (participates in β ladder)trans-119.899.9170.2-171.467.7000108.2I21 Y25 R28 P30I21-L50 HydrophobicContact CD1-CD2 4.23Å; I21-L50 HydrophobicContact CG1-CD1 3.86Å; I21-L50 HydrophobicContact CG1-CD2 4.05Å; Y25-L50 HydrophobicContact CD1-CD2 4.5Å; Y25-L50 HydrophobicContact CD2-CD2 3.41Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.41Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.7Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.27Å; R28-L50 HydrophobicContact CB-CG 3.64Å; R28-L50 HydrophobicContact CG-CG 4.29Å; R28-L50 PolarHBondContact NH1-O 2.9Å; P30-L50 HydrophobicContact CB-CD1 4.47Å
51V98.2Very high97.1Very high6 Ų656 Ų564%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-104135.6-163.1-171.70000109.7R28 V29 V31 S53 I55 F60 M91R28-V51 CarbonylContact C-O 3.34Å; R28-V51 WeakPolarHBondContact CA-O 3.12Å; R28-V51 WeakPolarHBondContact CB-O 3.41Å; V29-V51 HydrophobicContact CG2-CB 3.96Å; V29-V51 PolarHBondContact N-O 2.93Å; V29-V51 PolarHBondContact O-N 3.31Å; V31-V51 HydrophobicContact CB-CG2 4.21Å; V31-V51 HydrophobicContact CG2-CB 4.27Å; V31-V51 HydrophobicContact CG2-CG2 3.71Å; V51-S53 PolarHBondContact O-N 3.48Å; V51-I55 HydrophobicContact CG1-CD1 3.36Å; V51-I55 HydrophobicContact CG1-CG1 3.75Å; V51-F60 HydrophobicContact CG1-CD2 3.88Å; V51-F60 HydrophobicContact CG1-CE2 4.27Å; V51-F60 HydrophobicContact CG2-CD2 3.95Å; V51-F60 HydrophobicContact CG2-CE2 3.47Å; V51-F60 VanDerWaalsContact CG2-CE2 3.47Å; V51-F60 HydrophobicContact CG2-CZ 4.21Å; V51-M91 HydrophobicContact CG1-CB 4.3Å; V51-M91 HydrophobicContact CG1-CG 4.01Å
52P98.5Very high97.2Very high40 Ų4062.8 Ų62.826%0.2631%0.314SS..EExtended strand (participates in β ladder)trans-55.1137.7170.9-22.933.8000111.4D54 I55P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 3.42Å; P52-I55 HydrophobicContact CB-CG2 4.18Å; P52-I55 HydrophobicContact CG-CG2 4.49Å; P52-I55 WeakPolarHBondContact O-CG1 3.04Å
53S98.4Very high97.3Very high39 Ų3962.2 Ų62.227%0.27331%0.308SS..THydrogen-bonded Turntrans-69.5-21.4-176.351.40000114.1D27 V51 T90 G92D27-S53 VanDerWaalsContact O-CB 3.28Å; D27-S53 WeakPolarHBondContact O-CB 3.41Å; D27-S53 PolarHBondContact O-N 3.21Å; D27-S53 PolarHBondContact O-OG 3.3Å; V51-S53 PolarHBondContact O-N 3.48Å; S53-T90 WeakPolarHBondContact O-CB 3.49Å; S53-G92 WeakPolarHBondContact O-CA 3.46Å; S53-G92 PolarHBondContact O-N 2.98Å
54D98.1Very high97.4Very high115 Ų11557.2 Ų57.262%0.61528%0.281SS*.THydrogen-bonded Turntrans-88.4-19.5-174.162.7-31.7000114P52P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 3.42Å
55I98.4Very high97.5Very high25 Ų2559.3 Ų59.313%0.12829%0.288CS..SBendtrans-70148.6177.471.7165.3000111.1V51 P52 Q59 F60 I63 T90 M91V51-I55 HydrophobicContact CG1-CD1 3.36Å; V51-I55 HydrophobicContact CG1-CG1 3.75Å; P52-I55 HydrophobicContact CB-CG2 4.18Å; P52-I55 HydrophobicContact CG-CG2 4.49Å; P52-I55 WeakPolarHBondContact O-CG1 3.04Å; I55-Q59 VanDerWaalsContact CA-OE1 3.26Å; I55-Q59 HydrophobicContact CB-CB 4.18Å; I55-F60 HydrophobicContact CD1-CB 4.11Å; I55-F60 HydrophobicContact CD1-CD2 4.45Å; I55-I63 HydrophobicContact CD1-CD1 3.76Å; I55-T90 CarbonylContact O-C 3.46Å; I55-T90 VanDerWaalsContact O-CA 3.3Å; I55-T90 WeakPolarHBondContact O-CA 3.49Å; I55-M91 HydrophobicContact CD1-CG 4.41Å; I55-M91 HydrophobicContact CG1-CB 4.44Å; I55-M91 HydrophobicContact CG1-CG 3.85Å; I55-M91 PolarHBondContact O-N 3.15Å
56T98.6Very high97.6Very high36 Ų3660.5 Ų60.522%0.22129%0.288CS..BIsolated β-bridgetrans-79.5160.4177.865.50000112.4A58 Q59 F60 L89T56-A58 PolarHBondContact O-N 3.06Å; T56-Q59 PolarHBondContact O-N 2.9Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.32Å; T56-Q59 PolarHBondContact OG1-N 3.43Å; T56-Q59 PolarHBondContact OG1-OE1 2.7Å; T56-F60 PolarHBondContact O-N 3.2Å; T56-L89 CarbonylContact C-O 3.46Å; T56-L89 VanDerWaalsContact CA-O 3.25Å; T56-L89 WeakPolarHBondContact CA-O 3.47Å
57V98.5Very high97.7Very high3 Ų359.4 Ų59.42%0.01828%0.281CS..Hα-helixtrans-53.8-38.9169.5169.80000111.2F60 M61 L78 P85 L89 M91 L94V57-F60 PolarHBondContact O-N 2.9Å; V57-M61 WeakPolarHBondContact O-CB 3.25Å; V57-M61 PolarHBondContact O-N 2.82Å; V57-L78 HydrophobicContact CG1-CD1 4.45Å; V57-P85 HydrophobicContact CG1-CB 4.46Å; V57-P85 HydrophobicContact CG1-CG 3.88Å; V57-P85 HydrophobicContact CG2-CB 4.37Å; V57-P85 HydrophobicContact CG2-CG 4.46Å; V57-L89 HydrophobicContact CG2-CB 4.31Å; V57-L89 WeakPolarHBondContact CG2-O 3.47Å; V57-L89 PolarHBondContact N-O 3.1Å; V57-M91 HydrophobicContact CG2-SD 4.11Å; V57-L94 HydrophobicContact CG2-CD2 3.72Å
58A98.2Very high97.8Very high41 Ų4155.8 Ų55.834%0.33927%0.268SS..Hα-helixtrans-62.4-44.117600000112.6T56 M61 W62 S87T56-A58 PolarHBondContact O-N 3.06Å; A58-M61 PolarHBondContact O-N 3.02Å; A58-W62 PolarHBondContact O-N 2.75Å; A58-S87 WeakPolarHBondContact CB-O 3.48Å; A58-S87 PolarHBondContact N-O 3.3Å
59Q98.4Very high97.7Very high101 Ų10159.2 Ų59.247%0.47229%0.285SS..Hα-helixtrans-65.4-41175.8-72.3169.1-39.300111.1I55 T56 W62 I63I55-Q59 VanDerWaalsContact CA-OE1 3.26Å; I55-Q59 HydrophobicContact CB-CB 4.18Å; T56-Q59 PolarHBondContact O-N 2.9Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.32Å; T56-Q59 PolarHBondContact OG1-N 3.43Å; T56-Q59 PolarHBondContact OG1-OE1 2.7Å; Q59-W62 WeakPolarHBondContact O-CB 3.47Å; Q59-W62 PolarHBondContact O-N 3.27Å; Q59-I63 WeakPolarHBondContact O-CG1 3.31Å; Q59-I63 PolarHBondContact O-N 2.82Å
60F98.3Very high97.6Very high2 Ų258 Ų581%0.00928%0.281CS..Hα-helixtrans-62.9-44.7175.8-176.2-118.6000112.3V31 V33 V51 I55 T56 V57 W62 I63 I64 L78 M91 V107V31-F60 HydrophobicContact CB-CZ 4.44Å; V31-F60 HydrophobicContact CG1-CE1 4.19Å; V31-F60 HydrophobicContact CG1-CZ 3.94Å; V33-F60 HydrophobicContact CG2-CE1 4.17Å; V33-F60 HydrophobicContact CG2-CZ 3.65Å; V51-F60 HydrophobicContact CG1-CD2 3.88Å; V51-F60 HydrophobicContact CG1-CE2 4.27Å; V51-F60 HydrophobicContact CG2-CD2 3.95Å; V51-F60 HydrophobicContact CG2-CE2 3.47Å; V51-F60 VanDerWaalsContact CG2-CE2 3.47Å; V51-F60 HydrophobicContact CG2-CZ 4.21Å; I55-F60 HydrophobicContact CD1-CB 4.11Å; I55-F60 HydrophobicContact CD1-CD2 4.45Å; T56-F60 PolarHBondContact O-N 3.2Å; V57-F60 PolarHBondContact O-N 2.9Å; F60-W62 VanDerWaalsContact C-N 3.25Å; F60-W62 PolarHBondContact O-N 2.77Å; F60-I63 WeakPolarHBondContact O-CA 3.45Å; F60-I63 WeakPolarHBondContact O-CB 3.22Å; F60-I63 PolarHBondContact O-N 3.09Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 4.4Å; F60-I64 HydrophobicContact CE1-CG1 4.11Å; F60-I64 HydrophobicContact CE2-CD1 3.99Å; F60-I64 HydrophobicContact CE2-CG1 4.28Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.44Å; F60-I64 PolarHBondContact O-N 3.34Å; F60-L78 HydrophobicContact CD1-CD1 3.82Å; F60-L78 HydrophobicContact CE1-CD1 4.36Å; F60-M91 HydrophobicContact CB-CG 4.04Å; F60-M91 HydrophobicContact CB-SD 3.72Å; F60-M91 HydrophobicContact CD1-CE 3.66Å; F60-M91 HydrophobicContact CD1-SD 3.79Å; F60-M91 HydrophobicContact CD2-CE 4.46Å; F60-M91 HydrophobicContact CE1-CE 3.91Å; F60-M91 HydrophobicContact CG-CE 3.96Å; F60-M91 HydrophobicContact CG-CG 4.37Å; F60-M91 HydrophobicContact CG-SD 3.82Å; F60-M91 HydrophobicContact CZ-CE 4.4Å; F60-V107 HydrophobicContact CE1-CG1 4.34Å; F60-V107 HydrophobicContact CE1-CG2 4.36Å
61M97.4Very high97.5Very high42 Ų4258.2 Ų58.221%0.20729%0.286CS..Hα-helixtrans-57.7-38.7173.6178.916830.300112V57 A58 I64 R65 I76 L78V57-M61 WeakPolarHBondContact O-CB 3.25Å; V57-M61 PolarHBondContact O-N 2.82Å; A58-M61 PolarHBondContact O-N 3.02Å; M61-I64 PolarHBondContact O-N 2.89Å; M61-R65 WeakPolarHBondContact O-CB 3.48Å; M61-R65 PolarHBondContact O-N 2.82Å; M61-I76 HydrophobicContact CG-CG2 3.9Å; M61-I76 HydrophobicContact SD-CG2 4.22Å; M61-L78 HydrophobicContact CB-CD1 3.72Å; M61-L78 HydrophobicContact CB-CG 4.11Å; M61-L78 HydrophobicContact CG-CD1 4.36Å; M61-L78 HydrophobicContact CG-CG 4.2Å; M61-L78 HydrophobicContact SD-CG 4.45Å
62W97Very high97.2Very high156 Ų15663 Ų6359%0.59132%0.319SS*.Hα-helixtrans-64.9-39.4173.6-177.292.1000112.7A58 Q59 F60 R65 K66A58-W62 PolarHBondContact O-N 2.75Å; Q59-W62 WeakPolarHBondContact O-CB 3.47Å; Q59-W62 PolarHBondContact O-N 3.27Å; F60-W62 VanDerWaalsContact C-N 3.25Å; F60-W62 PolarHBondContact O-N 2.77Å; W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 2.9Å; W62-K66 HydrophobicContact CD2-CG 4.07Å; W62-K66 HydrophobicContact CE3-CG 4.19Å; W62-K66 HydrophobicContact CH2-CG 4Å; W62-K66 HydrophobicContact CZ2-CD 4.21Å; W62-K66 HydrophobicContact CZ2-CG 3.86Å; W62-K66 HydrophobicContact CZ3-CG 4.15Å; W62-K66 WeakPolarHBondContact O-CG 3.41Å; W62-K66 PolarHBondContact O-N 2.76Å
63I97.1Very high97Very high68 Ų6868.1 Ų68.135%0.34934%0.34SS..Hα-helixtrans-61.1-48174.3-66.7167.4000110.4I55 Q59 F60 R65 K66 R67I55-I63 HydrophobicContact CD1-CD1 3.76Å; Q59-I63 WeakPolarHBondContact O-CG1 3.31Å; Q59-I63 PolarHBondContact O-N 2.82Å; F60-I63 WeakPolarHBondContact O-CA 3.45Å; F60-I63 WeakPolarHBondContact O-CB 3.22Å; F60-I63 PolarHBondContact O-N 3.09Å; I63-R65 VanDerWaalsContact C-N 3.35Å; I63-R65 PolarHBondContact O-N 3.48Å; I63-K66 PolarHBondContact O-N 3.07Å; I63-R67 PolarHBondContact O-N 3.4Å
64I97.5Very high96.8Very high0 Ų072.1 Ų72.10%035%0.352CS..Hα-helixtrans-60.7-46.4177.7-61.1-51.5000110.4V33 I44 Y49 F60 M61 K66 R67 I68 I76V33-I64 HydrophobicContact CG1-CD1 4.12Å; V33-I64 HydrophobicContact CG2-CD1 4.12Å; I44-I64 HydrophobicContact CD1-CD1 3.94Å; I44-I64 HydrophobicContact CD1-CG2 4.13Å; Y49-I64 HydrophobicContact CE1-CD1 4.42Å; Y49-I64 HydrophobicContact CE2-CD1 4.23Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 4.4Å; F60-I64 HydrophobicContact CE1-CG1 4.11Å; F60-I64 HydrophobicContact CE2-CD1 3.99Å; F60-I64 HydrophobicContact CE2-CG1 4.28Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.44Å; F60-I64 PolarHBondContact O-N 3.34Å; M61-I64 PolarHBondContact O-N 2.89Å; I64-K66 VanDerWaalsContact C-N 3.32Å; I64-K66 PolarHBondContact O-N 2.62Å; I64-R67 WeakPolarHBondContact O-CB 3.47Å; I64-R67 PolarHBondContact O-N 2.75Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 3.18Å; I64-I76 HydrophobicContact CB-CD1 4.48Å; I64-I76 HydrophobicContact CG2-CD1 3.88Å
65R96.8Very high96.6Very high60 Ų6069 Ų6923%0.22634%0.343CS..Hα-helixtrans-54-47.2176.1-168.6-173.2-159127.13112.5M61 W62 I63 R67 Q69 L70 P71 S72 K74 I76M61-R65 WeakPolarHBondContact O-CB 3.48Å; M61-R65 PolarHBondContact O-N 2.82Å; W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 2.9Å; I63-R65 VanDerWaalsContact C-N 3.35Å; I63-R65 PolarHBondContact O-N 3.48Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R65-Q69 PolarHBondContact O-N 3.34Å; R65-L70 HydrophobicContact CG-CB 3.83Å; R65-L70 HydrophobicContact CG-CD2 4.22Å; R65-L70 PolarHBondContact O-N 3.45Å; R65-P71 PolarHBondContact NE-O 3.22Å; R65-P71 PolarHBondContact NH2-O 3.1Å; R65-S72 VanDerWaalsContact NH2-CA 3.27Å; R65-S72 PolarHBondContact NH2-O 3.28Å; R65-K74 PolarHBondContact NH2-O 3.04Å; R65-I76 HydrophobicContact CB-CG2 4.47Å; R65-I76 HydrophobicContact CG-CG2 4.46Å
66K96.5Very high96.5Very high132 Ų13268.3 Ų68.357%0.57434%0.339SS*.Hα-helixtrans-63.9-39176.4-76.8-68.8-172.2179.90111.7W62 I63 I64 Q69W62-K66 HydrophobicContact CD2-CG 4.07Å; W62-K66 HydrophobicContact CE3-CG 4.19Å; W62-K66 HydrophobicContact CH2-CG 4Å; W62-K66 HydrophobicContact CZ2-CD 4.21Å; W62-K66 HydrophobicContact CZ2-CG 3.86Å; W62-K66 HydrophobicContact CZ3-CG 4.15Å; W62-K66 WeakPolarHBondContact O-CG 3.41Å; W62-K66 PolarHBondContact O-N 2.76Å; I63-K66 PolarHBondContact O-N 3.07Å; I64-K66 VanDerWaalsContact C-N 3.32Å; I64-K66 PolarHBondContact O-N 2.62Å; K66-Q69 PolarHBondContact O-N 3.11Å; K66-Q69 VanDerWaalsContact O-N 3.15Å
67R97.1Very high96.3Very high106 Ų10669.5 Ų69.540%0.434%0.341SS..Hα-helixtrans-62.4-44.5-179.6-171.466177.1-178.65.1112.5I44 D45 I63 I64 R65 Q69I44-R67 HydrophobicContact CD1-CG 4.22Å; I44-R67 HydrophobicContact CG1-CG 3.93Å; D45-R67 IonicContact OD1-CZ 3.87Å; D45-R67 IonicContact OD1-NE 3.42Å; D45-R67 PolarHBondContact OD1-NE 2.9Å; D45-R67 IonicContact OD1-NH2 2.75Å; D45-R67 PolarHBondContact OD1-NH2 3.32Å; D45-R67 IonicContact OD2-CZ 3.27Å; D45-R67 IonicContact OD2-NE 3.4Å; D45-R67 IonicContact OD2-NH2 3.54Å; D45-R67 PolarHBondContact OD2-NH2 2.94Å; I63-R67 PolarHBondContact O-N 3.4Å; I64-R67 WeakPolarHBondContact O-CB 3.47Å; I64-R67 PolarHBondContact O-N 2.75Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R67-Q69 PolarHBondContact O-N 3.03Å
68I96.8Very high96.2Very high11 Ų1169.6 Ų69.66%0.05634%0.342CS..THydrogen-bonded Turntrans-85.26.9177.664.3162.9000113.1I41 V42 I44 I64 L70 I76 Y109I41-I68 HydrophobicContact CD1-CD1 3.82Å; I41-I68 HydrophobicContact CG1-CD1 3.79Å; V42-I68 HydrophobicContact CB-CB 4.44Å; I44-I68 HydrophobicContact CB-CG2 3.83Å; I44-I68 HydrophobicContact CD1-CG2 4.35Å; I44-I68 HydrophobicContact CG1-CG2 3.84Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 3.18Å; I68-L70 HydrophobicContact CD1-CB 3.79Å; I68-L70 HydrophobicContact CD1-CD1 4.36Å; I68-L70 HydrophobicContact CD1-CD2 4.3Å; I68-L70 HydrophobicContact CD1-CG 4.39Å; I68-L70 HydrophobicContact CG1-CB 3.81Å; I68-L70 PolarHBondContact O-N 3.06Å; I68-I76 HydrophobicContact CD1-CD1 4.17Å; I68-Y109 HydrophobicContact CD1-CE2 4.44Å
69Q96.5Very high96.1Very high170 Ų17067.8 Ų67.879%0.79433%0.326SS*.THydrogen-bonded Turntrans52.237.2-179.3-55.5178.143.400113R65 K66 R67 P71R65-Q69 PolarHBondContact O-N 3.34Å; K66-Q69 PolarHBondContact O-N 3.11Å; K66-Q69 VanDerWaalsContact O-N 3.15Å; R67-Q69 PolarHBondContact O-N 3.03Å; Q69-P71 WeakPolarHBondContact O-CD 3.25Å
70L96.2Very high96Very high16 Ų1663.2 Ų63.28%0.08431%0.305CS..  trans-76124.7-175.9-171.677000110.7I41 R65 I68 K74 I76I41-L70 HydrophobicContact CD1-CD1 4.34Å; I41-L70 HydrophobicContact CD1-CD2 3.97Å; I41-L70 HydrophobicContact CG1-CD1 4.19Å; R65-L70 HydrophobicContact CG-CB 3.83Å; R65-L70 HydrophobicContact CG-CD2 4.22Å; R65-L70 PolarHBondContact O-N 3.45Å; I68-L70 HydrophobicContact CD1-CB 3.79Å; I68-L70 HydrophobicContact CD1-CD1 4.36Å; I68-L70 HydrophobicContact CD1-CD2 4.3Å; I68-L70 HydrophobicContact CD1-CG 4.39Å; I68-L70 HydrophobicContact CG1-CB 3.81Å; I68-L70 PolarHBondContact O-N 3.06Å; L70-K74 HydrophobicContact CD1-CB 3.67Å; L70-K74 HydrophobicContact CD1-CD 3.77Å; L70-K74 HydrophobicContact CD1-CG 4.31Å; L70-K74 HydrophobicContact CD2-CB 4.1Å; L70-K74 HydrophobicContact CG-CB 3.81Å; L70-I76 HydrophobicContact CD2-CB 3.8Å; L70-I76 HydrophobicContact CD2-CG2 4.24Å
71P94.7Very high95.6Very high53 Ų5368.9 Ų68.934%0.34434%0.336SS..  trans-57.9157.5176.7-25.235.1000113.6R65 Q69 E73 K74R65-P71 PolarHBondContact NE-O 3.22Å; R65-P71 PolarHBondContact NH2-O 3.1Å; Q69-P71 WeakPolarHBondContact O-CD 3.25Å; P71-E73 HydrophobicContact CB-CG 4.22Å; P71-E73 WeakPolarHBondContact CB-OE1 3.49Å; P71-E73 WeakPolarHBondContact CB-OE2 3.3Å; P71-E73 PolarHBondContact O-N 2.89Å; P71-K74 PolarHBondContact O-N 2.85Å
72S93.1Very high95.1Very high107 Ų10772.8 Ų72.875%0.74835%0.351SS*.THydrogen-bonded Turntrans-63-27.1-177.839.10000113.9R65R65-S72 VanDerWaalsContact NH2-CA 3.27Å; R65-S72 PolarHBondContact NH2-O 3.28Å
73E93.4Very high94.9Very high148 Ų14869.3 Ų69.369%0.69235%0.348SS*.THydrogen-bonded Turntrans-80.2-20.5-178.363.3-85.7-164.700113.4P71P71-E73 HydrophobicContact CB-CG 4.22Å; P71-E73 WeakPolarHBondContact CB-OE1 3.49Å; P71-E73 WeakPolarHBondContact CB-OE2 3.3Å; P71-E73 PolarHBondContact O-N 2.89Å
74K94.2Very high94.8Very high123 Ų12370 Ų7054%0.53536%0.355SS..SBendtrans-88.8132.4178.3-68.8-164176.2-173.30111.1R65 L70 P71R65-K74 PolarHBondContact NH2-O 3.04Å; L70-K74 HydrophobicContact CD1-CB 3.67Å; L70-K74 HydrophobicContact CD1-CD 3.77Å; L70-K74 HydrophobicContact CD1-CG 4.31Å; L70-K74 HydrophobicContact CD2-CB 4.1Å; L70-K74 HydrophobicContact CG-CB 3.81Å; P71-K74 PolarHBondContact O-N 2.85Å
75A93.6Very high94.7Very high50 Ų5070.7 Ų70.741%0.41336%0.359SS..  trans-71.8153177.600000112.1F77A75-F77 HydrophobicContact CB-CD2 4.44Å; A75-F77 HydrophobicContact CB-CE2 3.59Å; A75-F77 HydrophobicContact CB-CZ 4.09Å
76I95.9Very high94.7Very high10 Ų1074.8 Ų74.85%0.05138%0.381CS..  trans-141.3135.4168.8-175.5170.8000108.1I41 M61 I64 R65 I68 L70 Y109 S110I41-I76 HydrophobicContact CD1-CB 4.2Å; I41-I76 HydrophobicContact CD1-CD1 4.26Å; I41-I76 HydrophobicContact CD1-CG1 4Å; M61-I76 HydrophobicContact CG-CG2 3.9Å; M61-I76 HydrophobicContact SD-CG2 4.22Å; I64-I76 HydrophobicContact CB-CD1 4.48Å; I64-I76 HydrophobicContact CG2-CD1 3.88Å; R65-I76 HydrophobicContact CB-CG2 4.47Å; R65-I76 HydrophobicContact CG-CG2 4.46Å; I68-I76 HydrophobicContact CD1-CD1 4.17Å; L70-I76 HydrophobicContact CD2-CB 3.8Å; L70-I76 HydrophobicContact CD2-CG2 4.24Å; I76-Y109 HydrophobicContact CD1-CD2 4.46Å; I76-S110 WeakPolarHBondContact CA-O 3.49Å
77F95.6Very high94.7Very high61 Ų6171.6 Ų71.627%0.26838%0.375SS..EExtended strand (participates in β ladder)trans-125.6141.6176.6-60.1-87000109A75 F79 Y109 S110 E112 N113A75-F77 HydrophobicContact CB-CD2 4.44Å; A75-F77 HydrophobicContact CB-CE2 3.59Å; A75-F77 HydrophobicContact CB-CZ 4.09Å; F77-F79 HydrophobicContact CB-CE2 3.69Å; F77-F79 HydrophobicContact CB-CZ 3.87Å; F77-Y109 WeakPolarHBondContact O-CA 3.34Å; F77-S110 PolarHBondContact N-O 3.18Å; F77-S110 PolarHBondContact O-N 2.9Å; F77-E112 VanDerWaalsContact CD2-O 3.23Å; F77-E112 WeakPolarHBondContact CD2-O 3.23Å; F77-N113 HydrophobicContact CD1-CB 3.86Å; F77-N113 HydrophobicContact CD2-CB 4.05Å; F77-N113 HydrophobicContact CE1-CB 3.58Å; F77-N113 HydrophobicContact CE2-CB 3.77Å; F77-N113 HydrophobicContact CG-CB 4.09Å; F77-N113 HydrophobicContact CZ-CB 3.54Å
78L96.6Very high94.8Very high5 Ų570.9 Ų70.93%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-104.2145.5171.3-59.6-173.7000109.3V57 F60 M61 P85 V107 A108V57-L78 HydrophobicContact CG1-CD1 4.45Å; F60-L78 HydrophobicContact CD1-CD1 3.82Å; F60-L78 HydrophobicContact CE1-CD1 4.36Å; M61-L78 HydrophobicContact CB-CD1 3.72Å; M61-L78 HydrophobicContact CB-CG 4.11Å; M61-L78 HydrophobicContact CG-CD1 4.36Å; M61-L78 HydrophobicContact CG-CG 4.2Å; M61-L78 HydrophobicContact SD-CG 4.45Å; L78-P85 WeakPolarHBondContact O-CD 3.49Å; L78-V107 HydrophobicContact CB-CG1 4Å; L78-V107 HydrophobicContact CD1-CG1 4.23Å; L78-V107 HydrophobicContact CD2-CG1 4.06Å; L78-V107 HydrophobicContact CG-CG1 4.33Å; L78-A108 CarbonylContact C-O 3.55Å; L78-A108 VanDerWaalsContact CA-O 3.29Å; L78-A108 WeakPolarHBondContact CA-O 3.33Å
79F95.8Very high94.8Very high3 Ų372 Ų721%0.01339%0.392CS..EExtended strand (participates in β ladder)trans-130.6134.6178.2-58.8-91.3000110.5V36 F77 T83 V84 V107 A108 F115V36-F79 HydrophobicContact CG2-CD2 4.4Å; F77-F79 HydrophobicContact CB-CE2 3.69Å; F77-F79 HydrophobicContact CB-CZ 3.87Å; F79-T83 CarbonylContact C-O 3.54Å; F79-T83 VanDerWaalsContact CA-O 3.24Å; F79-T83 WeakPolarHBondContact CA-O 3.41Å; F79-V84 HydrophobicContact CD1-CG2 3.95Å; F79-V84 HydrophobicContact CE1-CG2 3.66Å; F79-V84 HydrophobicContact CZ-CG2 4.34Å; F79-V107 WeakPolarHBondContact O-CA 3.29Å; F79-A108 HydrophobicContact CB-CB 4.36Å; F79-A108 PolarHBondContact N-O 2.84Å; F79-A108 PolarHBondContact O-N 3.42Å; F79-F115 HydrophobicContact CB-CD2 4.48Å; F79-F115 HydrophobicContact CD1-CD2 4.2Å; F79-F115 HydrophobicContact CD2-CD2 4.41Å; F79-F115 HydrophobicContact CE1-CB 4.4Å; F79-F115 HydrophobicContact CG-CD2 4.11Å
80V95.8Very high94.9Very high5 Ų565.5 Ų65.53%0.0337%0.365CS..BIsolated β-bridgetrans-126.8125.7168.8-1790000106.9K82 T83 P85 L94 E98 L105 V107V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.93Å; V80-T83 PolarHBondContact N-O 2.98Å; V80-T83 PolarHBondContact O-N 3.19Å; V80-T83 PolarHBondContact O-OG1 3.42Å; V80-P85 HydrophobicContact CG2-CG 4.23Å; V80-L94 HydrophobicContact CG1-CD1 4.46Å; V80-L94 HydrophobicContact CG2-CD1 4.39Å; V80-L94 HydrophobicContact CG2-CD2 4.09Å; V80-E98 HydrophobicContact CG1-CB 3.48Å; V80-E98 VanDerWaalsContact CG1-CB 3.48Å; V80-E98 HydrophobicContact CG1-CG 3.8Å; V80-L105 HydrophobicContact CG1-CD1 4.02Å; V80-V107 HydrophobicContact CG2-CG2 3.92Å
81D90.9Very high95Very high121 Ų12164.8 Ų64.865%0.64736%0.361SS*.THydrogen-bonded Turntrans43.149.6-168.9-166.431.5000113.8T83D81-T83 PolarHBondContact O-N 3.17Å
82K87Confident95.2Very high124 Ų12463 Ų6354%0.53935%0.351SS..THydrogen-bonded Turntrans63.74.8-178.9-46.7171.4-173.8169.40115.7V80 F115V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.93Å; K82-F115 HydrophobicContact CB-CD1 4.36Å; K82-F115 HydrophobicContact CB-CG 4.35Å; K82-F115 HydrophobicContact CG-CD1 4.12Å; K82-F115 HydrophobicContact CG-CE1 4.24Å
83T91.9Very high95.5Very high83 Ų8363 Ų6351%0.50934%0.34SS..BIsolated β-bridgetrans-108.5150.6176.767.80000111.1F79 V80 D81 P85F79-T83 CarbonylContact C-O 3.54Å; F79-T83 VanDerWaalsContact CA-O 3.24Å; F79-T83 WeakPolarHBondContact CA-O 3.41Å; V80-T83 PolarHBondContact N-O 2.98Å; V80-T83 PolarHBondContact O-N 3.19Å; V80-T83 PolarHBondContact O-OG1 3.42Å; D81-T83 PolarHBondContact O-N 3.17Å; T83-P85 WeakPolarHBondContact O-CD 3.42Å
84V94.5Very high95.7Very high83 Ų8356.3 Ų56.350%0.50331%0.309SS..  trans-81.5114173-179.90000108.1F79F79-V84 HydrophobicContact CD1-CG2 3.95Å; F79-V84 HydrophobicContact CE1-CG2 3.66Å; F79-V84 HydrophobicContact CZ-CG2 4.34Å
85P96.1Very high95.9Very high14 Ų1451 Ų519%0.09129%0.285CS..  trans-67.2154.4179.627.7-33.1000111.2V57 L78 V80 T83 S87 L94V57-P85 HydrophobicContact CG1-CB 4.46Å; V57-P85 HydrophobicContact CG1-CG 3.88Å; V57-P85 HydrophobicContact CG2-CB 4.37Å; V57-P85 HydrophobicContact CG2-CG 4.46Å; L78-P85 WeakPolarHBondContact O-CD 3.49Å; V80-P85 HydrophobicContact CG2-CG 4.23Å; T83-P85 WeakPolarHBondContact O-CD 3.42Å; P85-S87 PolarHBondContact O-N 2.89Å; P85-L94 HydrophobicContact CB-CD1 3.97Å; P85-L94 HydrophobicContact CB-CD2 4.13Å; P85-L94 HydrophobicContact CG-CD2 4.31Å
86Q96.9Very high96.1Very high145 Ų14553.7 Ų53.768%0.67829%0.289SS*.  trans-64126.1177.5-67.8-179.6-75.100110.9S88 L89Q86-S88 PolarHBondContact O-N 3.33Å; Q86-S88 VanDerWaalsContact O-N 3.13Å; Q86-L89 HydrophobicContact CB-CB 4.41Å; Q86-L89 VanDerWaalsContact O-CB 3.3Å; Q86-L89 WeakPolarHBondContact O-CB 3.49Å; Q86-L89 PolarHBondContact O-N 2.85Å
87S96.7Very high96.1Very high65 Ų6560.7 Ų60.746%0.45532%0.319SS..THydrogen-bonded Turntrans-58.9-27.5-176.2-57.30000114.5A58 P85A58-S87 WeakPolarHBondContact CB-O 3.48Å; A58-S87 PolarHBondContact N-O 3.3Å; P85-S87 PolarHBondContact O-N 2.89Å
88S97.8Very high96.2Very high92 Ų9260.4 Ų60.464%0.64332%0.319SS*.THydrogen-bonded Turntrans-83.9-14.6179.553.90000114.1Q86Q86-S88 PolarHBondContact O-N 3.33Å; Q86-S88 VanDerWaalsContact O-N 3.13Å
89L97.9Very high96.3Very high33 Ų3364.3 Ų64.317%0.17334%0.336CS..SBendtrans-65.9141.3178.9-164.568.8000109.6T56 V57 Q86 Q93 L94T56-L89 CarbonylContact C-O 3.46Å; T56-L89 VanDerWaalsContact CA-O 3.25Å; T56-L89 WeakPolarHBondContact CA-O 3.47Å; V57-L89 HydrophobicContact CG2-CB 4.31Å; V57-L89 WeakPolarHBondContact CG2-O 3.47Å; V57-L89 PolarHBondContact N-O 3.1Å; Q86-L89 HydrophobicContact CB-CB 4.41Å; Q86-L89 VanDerWaalsContact O-CB 3.3Å; Q86-L89 WeakPolarHBondContact O-CB 3.49Å; Q86-L89 PolarHBondContact O-N 2.85Å; L89-Q93 HydrophobicContact CD1-CB 3.55Å; L89-Q93 HydrophobicContact CD1-CG 4.3Å; L89-Q93 HydrophobicContact CD2-CB 4.42Å; L89-Q93 HydrophobicContact CG-CB 3.8Å; L89-L94 HydrophobicContact CD2-CB 3.76Å; L89-L94 HydrophobicContact CD2-CD1 3.98Å; L89-L94 HydrophobicContact CD2-CG 4.44Å; L89-L94 HydrophobicContact CG-CB 4.43Å
90T98.6Very high96.4Very high35 Ų3566.5 Ų66.522%0.21535%0.347CS..BIsolated β-bridgetrans-75.4153.4171.6630000111S53 I55 G92 Q93 L94S53-T90 WeakPolarHBondContact O-CB 3.49Å; I55-T90 CarbonylContact O-C 3.46Å; I55-T90 VanDerWaalsContact O-CA 3.3Å; I55-T90 WeakPolarHBondContact O-CA 3.49Å; T90-G92 PolarHBondContact O-N 2.81Å; T90-Q93 VanDerWaalsContact N-OE1 3.07Å; T90-Q93 PolarHBondContact O-N 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.15Å; T90-Q93 VanDerWaalsContact OG1-CD 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.18Å; T90-Q93 PolarHBondContact OG1-N 2.97Å; T90-Q93 PolarHBondContact OG1-OE1 2.84Å; T90-L94 WeakPolarHBondContact O-CB 3.4Å; T90-L94 PolarHBondContact O-N 2.96Å
91M98.7Very high96.4Very high1 Ų173.5 Ų73.51%0.00538%0.38CS..Hα-helixtrans-63-29.7176.7-69.9-59.5-61.800112V29 V31 V51 I55 V57 F60 L94 Y95 L105V29-M91 HydrophobicContact CG2-CB 3.97Å; V31-M91 HydrophobicContact CG1-CE 4.49Å; V31-M91 HydrophobicContact CG2-CE 3.96Å; V51-M91 HydrophobicContact CG1-CB 4.3Å; V51-M91 HydrophobicContact CG1-CG 4.01Å; I55-M91 HydrophobicContact CD1-CG 4.41Å; I55-M91 HydrophobicContact CG1-CB 4.44Å; I55-M91 HydrophobicContact CG1-CG 3.85Å; I55-M91 PolarHBondContact O-N 3.15Å; V57-M91 HydrophobicContact CG2-SD 4.11Å; F60-M91 HydrophobicContact CB-CG 4.04Å; F60-M91 HydrophobicContact CB-SD 3.72Å; F60-M91 HydrophobicContact CD1-CE 3.66Å; F60-M91 HydrophobicContact CD1-SD 3.79Å; F60-M91 HydrophobicContact CD2-CE 4.46Å; F60-M91 HydrophobicContact CE1-CE 3.91Å; F60-M91 HydrophobicContact CG-CE 3.96Å; F60-M91 HydrophobicContact CG-CG 4.37Å; F60-M91 HydrophobicContact CG-SD 3.82Å; F60-M91 HydrophobicContact CZ-CE 4.4Å; M91-L94 HydrophobicContact CE-CD2 4.5Å; M91-L94 HydrophobicContact SD-CD2 4.25Å; M91-Y95 WeakPolarHBondContact O-CB 3.44Å; M91-Y95 PolarHBondContact O-N 3.39Å; M91-L105 HydrophobicContact CE-CD2 3.76Å
92G98.4Very high96.8Very high14 Ų1467.8 Ų67.814%0.14435%0.349CS..Hα-helixtrans-65.3-48.6171.400000112.9S53 T90 L94 Y95 E96S53-G92 WeakPolarHBondContact O-CA 3.46Å; S53-G92 PolarHBondContact O-N 2.98Å; T90-G92 PolarHBondContact O-N 2.81Å; G92-L94 VanDerWaalsContact C-N 3.34Å; G92-L94 PolarHBondContact O-N 2.64Å; G92-Y95 PolarHBondContact O-N 2.77Å; G92-E96 PolarHBondContact O-N 3.13Å
93Q98.3Very high97.3Very high109 Ų10962.6 Ų62.651%0.50933%0.331SS..Hα-helixtrans-63.9-40.7176.4-72.3166.1-47.400112L89 T90 Y95 E96 K97L89-Q93 HydrophobicContact CD1-CB 3.55Å; L89-Q93 HydrophobicContact CD1-CG 4.3Å; L89-Q93 HydrophobicContact CD2-CB 4.42Å; L89-Q93 HydrophobicContact CG-CB 3.8Å; T90-Q93 VanDerWaalsContact N-OE1 3.07Å; T90-Q93 PolarHBondContact O-N 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.15Å; T90-Q93 VanDerWaalsContact OG1-CD 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.18Å; T90-Q93 PolarHBondContact OG1-N 2.97Å; T90-Q93 PolarHBondContact OG1-OE1 2.84Å; Q93-Y95 VanDerWaalsContact C-N 3.35Å; Q93-E96 PolarHBondContact O-N 3.29Å; Q93-K97 PolarHBondContact O-N 3.27Å
94L98.2Very high97.6Very high6 Ų658.9 Ų58.93%0.03131%0.308CS..Hα-helixtrans-61.9-44.3175.6-176.357.6000111.2V57 V80 P85 L89 T90 M91 G92 K97 E98 L105V57-L94 HydrophobicContact CG2-CD2 3.72Å; V80-L94 HydrophobicContact CG1-CD1 4.46Å; V80-L94 HydrophobicContact CG2-CD1 4.39Å; V80-L94 HydrophobicContact CG2-CD2 4.09Å; P85-L94 HydrophobicContact CB-CD1 3.97Å; P85-L94 HydrophobicContact CB-CD2 4.13Å; P85-L94 HydrophobicContact CG-CD2 4.31Å; L89-L94 HydrophobicContact CD2-CB 3.76Å; L89-L94 HydrophobicContact CD2-CD1 3.98Å; L89-L94 HydrophobicContact CD2-CG 4.44Å; L89-L94 HydrophobicContact CG-CB 4.43Å; T90-L94 WeakPolarHBondContact O-CB 3.4Å; T90-L94 PolarHBondContact O-N 2.96Å; M91-L94 HydrophobicContact CE-CD2 4.5Å; M91-L94 HydrophobicContact SD-CD2 4.25Å; G92-L94 VanDerWaalsContact C-N 3.34Å; G92-L94 PolarHBondContact O-N 2.64Å; L94-K97 PolarHBondContact O-N 2.85Å; L94-E98 HydrophobicContact CD1-CB 4.31Å; L94-E98 HydrophobicContact CD1-CG 3.75Å; L94-E98 WeakPolarHBondContact O-CB 3.43Å; L94-E98 PolarHBondContact O-N 3.02Å; L94-L105 HydrophobicContact CB-CD2 4.47Å; L94-L105 HydrophobicContact CD2-CD2 4.01Å; L94-L105 HydrophobicContact CG-CD1 4.29Å; L94-L105 HydrophobicContact CG-CD2 3.94Å
95Y98.5Very high97.8Very high13 Ų1355 Ų555%0.05128%0.284CS..Hα-helixtrans-60.2-46.8176.4175.2-89.7000112.1V29 P30 M91 G92 Q93 K97 E98 K99 G103 L105V29-Y95 HydrophobicContact CB-CD2 3.88Å; V29-Y95 HydrophobicContact CB-CG 4Å; V29-Y95 HydrophobicContact CG1-CD1 4.05Å; V29-Y95 HydrophobicContact CG1-CD2 4.04Å; V29-Y95 HydrophobicContact CG1-CG 3.64Å; P30-Y95 HydrophobicContact CG-CE2 4.18Å; M91-Y95 WeakPolarHBondContact O-CB 3.44Å; M91-Y95 PolarHBondContact O-N 3.39Å; G92-Y95 PolarHBondContact O-N 2.77Å; Q93-Y95 VanDerWaalsContact C-N 3.35Å; Y95-K97 PolarHBondContact O-N 2.83Å; Y95-E98 PolarHBondContact O-N 3.46Å; Y95-K99 HydrophobicContact CD1-CD 4.01Å; Y95-K99 HydrophobicContact CD2-CB 3.99Å; Y95-K99 HydrophobicContact CE1-CB 4.4Å; Y95-K99 HydrophobicContact CE1-CD 3.48Å; Y95-K99 VanDerWaalsContact CE1-CD 3.48Å; Y95-K99 HydrophobicContact CE2-CB 3.83Å; Y95-K99 HydrophobicContact CE2-CD 4.33Å; Y95-K99 HydrophobicContact CG-CB 4.31Å; Y95-K99 WeakPolarHBondContact O-CB 3.35Å; Y95-K99 VanDerWaalsContact O-CG 3.31Å; Y95-K99 WeakPolarHBondContact O-CG 2.99Å; Y95-K99 PolarHBondContact O-N 2.67Å; Y95-G103 WeakPolarHBondContact CE2-O 3.01Å; Y95-G103 PolarHBondContact OH-O 2.82Å; Y95-L105 HydrophobicContact CD2-CB 3.86Å
96E97.6Very high97.9Very high106 Ų10654.8 Ų54.850%0.49528%0.281SS..Hα-helixtrans-64.8-29-179.9-69.5-53.3146.900113.3G92 Q93 K99G92-E96 PolarHBondContact O-N 3.13Å; Q93-E96 PolarHBondContact O-N 3.29Å; E96-K99 IonicContact OE1-NZ 2.62Å; E96-K99 IonicContact OE2-NZ 2.62Å; E96-K99 PolarHBondContact OE2-NZ 2.77Å
97K97Very high97.9Very high156 Ų15648 Ų4868%0.67825%0.25SC*.Hα-helixtrans-82.2-38.6178.7-172.1179179.8-99.90113.3Q93 L94 Y95Q93-K97 PolarHBondContact O-N 3.27Å; L94-K97 PolarHBondContact O-N 2.85Å; Y95-K97 PolarHBondContact O-N 2.83Å
98E97.6Very high97.9Very high55 Ų5544.9 Ų44.926%0.25723%0.228SC..Hα-helixtrans-127.78-163.3-54-67.3164.900114.3V80 L94 Y95 L105V80-E98 HydrophobicContact CG1-CB 3.48Å; V80-E98 VanDerWaalsContact CG1-CB 3.48Å; V80-E98 HydrophobicContact CG1-CG 3.8Å; L94-E98 HydrophobicContact CD1-CB 4.31Å; L94-E98 HydrophobicContact CD1-CG 3.75Å; L94-E98 WeakPolarHBondContact O-CB 3.43Å; L94-E98 PolarHBondContact O-N 3.02Å; Y95-E98 PolarHBondContact O-N 3.46Å; E98-L105 HydrophobicContact CB-CD1 3.93Å
99K97.4Very high97.9Very high88 Ų8840.6 Ų40.638%0.38320%0.198SC..  trans-59.3144.4173.166.9-165.9177.8-155.10110.5Y95 E96Y95-K99 HydrophobicContact CD1-CD 4.01Å; Y95-K99 HydrophobicContact CD2-CB 3.99Å; Y95-K99 HydrophobicContact CE1-CB 4.4Å; Y95-K99 HydrophobicContact CE1-CD 3.48Å; Y95-K99 VanDerWaalsContact CE1-CD 3.48Å; Y95-K99 HydrophobicContact CE2-CB 3.83Å; Y95-K99 HydrophobicContact CE2-CD 4.33Å; Y95-K99 HydrophobicContact CG-CB 4.31Å; Y95-K99 WeakPolarHBondContact O-CB 3.35Å; Y95-K99 VanDerWaalsContact O-CG 3.31Å; Y95-K99 WeakPolarHBondContact O-CG 2.99Å; Y95-K99 PolarHBondContact O-N 2.67Å; E96-K99 IonicContact OE1-NZ 2.62Å; E96-K99 IonicContact OE2-NZ 2.62Å; E96-K99 PolarHBondContact OE2-NZ 2.77Å
100D97.7Very high97.7Very high48 Ų4839.1 Ų39.126%0.25719%0.19SC..  trans-78.3167.1175.3-160.8-103000110.7K6 R14 D102 G103 F104 Y106K6-D100 IonicContact NZ-OD1 2.84Å; K6-D100 PolarHBondContact NZ-OD1 2.89Å; K6-D100 IonicContact NZ-OD2 3.78Å; K6-D100 PolarHBondContact NZ-OD2 2.93Å; R14-D100 IonicContact NH1-OD1 2.97Å; D100-D102 WeakPolarHBondContact CB-OD1 3.2Å; D100-D102 PolarHBondContact O-N 2.88Å; D100-D102 VanDerWaalsContact O-N 3.09Å; D100-G103 PolarHBondContact O-N 3.28Å; D100-F104 PolarHBondContact N-O 2.95Å; D100-Y106 HydrophobicContact CB-CD2 3.64Å; D100-Y106 HydrophobicContact CB-CE2 3.61Å
101E97.2Very high97.5Very high153 Ų15338.7 Ų38.772%0.71519%0.193SC*.THydrogen-bonded Turntrans-59-22.517960.5177.3-174.700113.3L11 G103L11-E101 HydrophobicContact CD1-CG 4.08Å; E101-G103 VanDerWaalsContact C-N 3.3Å; E101-G103 PolarHBondContact O-N 3.36Å
102D98.2Very high97Very high1 Ų143.2 Ų43.21%0.00521%0.214CC..THydrogen-bonded Turntrans-83.2-2.7178.980.7-18.5000114.2L11 R14 C15 S18 D100 F104 Y106L11-D102 HydrophobicContact CD1-CB 3.75Å; R14-D102 HydrophobicContact CB-CB 3.81Å; R14-D102 WeakPolarHBondContact CB-OD2 3.38Å; R14-D102 VanDerWaalsContact CD-OD2 3.31Å; R14-D102 WeakPolarHBondContact CD-OD2 3.41Å; R14-D102 IonicContact CZ-OD2 3.75Å; R14-D102 IonicContact NE-OD2 2.75Å; R14-D102 VanDerWaalsContact NH1-CB 3.26Å; R14-D102 IonicContact NH1-OD2 3.83Å; R14-D102 PolarHBondContact NH1-OD2 3.2Å; C15-D102 WeakPolarHBondContact CA-O 3.15Å; S18-D102 WeakPolarHBondContact CB-O 3.47Å; S18-D102 PolarHBondContact OG-O 2.79Å; D100-D102 WeakPolarHBondContact CB-OD1 3.2Å; D100-D102 PolarHBondContact O-N 2.88Å; D100-D102 VanDerWaalsContact O-N 3.09Å; D102-F104 WeakPolarHBondContact OD1-CB 3.08Å; D102-F104 PolarHBondContact OD1-N 3.25Å; D102-F104 WeakPolarHBondContact OD2-CD2 3.44Å; D102-Y106 PolarHBondContact OD2-OH 3.08Å
103G98.2Very high96.3Very high14 Ų1447.4 Ų47.414%0.14423%0.233CC..SBendtrans82.410.1-179.300000115.9P30 Y95 D100 E101P30-G103 WeakPolarHBondContact CG-O 3.31Å; Y95-G103 WeakPolarHBondContact CE2-O 3.01Å; Y95-G103 PolarHBondContact OH-O 2.82Å; D100-G103 PolarHBondContact O-N 3.28Å; E101-G103 VanDerWaalsContact C-N 3.3Å; E101-G103 PolarHBondContact O-N 3.36Å
104F98.6Very high95.2Very high6 Ų644.9 Ų44.93%0.02623%0.225CC..PPolyproline II helixtrans-100.6148.7168.4-73.6-88.4000111.5F5 R14 E17 P30 I32 D100 D102 Y106F5-F104 HydrophobicContact CE1-CD2 4.23Å; F5-F104 HydrophobicContact CE1-CE2 4.12Å; F5-F104 HydrophobicContact CE1-CZ 4.4Å; F5-F104 HydrophobicContact CZ-CE2 4.34Å; F5-F104 HydrophobicContact CZ-CZ 4.31Å; R14-F104 HydrophobicContact CB-CD2 4.43Å; R14-F104 HydrophobicContact CB-CE2 4.25Å; R14-F104 WeakPolarHBondContact O-CE2 3.21Å; E17-F104 HydrophobicContact CB-CZ 4.39Å; E17-F104 HydrophobicContact CG-CZ 4.22Å; P30-F104 HydrophobicContact CB-CD1 3.61Å; P30-F104 HydrophobicContact CB-CE1 3.66Å; P30-F104 HydrophobicContact CG-CD1 4.19Å; P30-F104 HydrophobicContact CG-CE1 4.49Å; I32-F104 HydrophobicContact CD1-CD1 3.66Å; I32-F104 HydrophobicContact CD1-CE1 3.88Å; I32-F104 HydrophobicContact CD1-CG 4.27Å; I32-F104 HydrophobicContact CG1-CB 3.95Å; I32-F104 HydrophobicContact CG1-CD1 3.69Å; I32-F104 HydrophobicContact CG1-CE1 4.4Å; I32-F104 HydrophobicContact CG1-CG 3.92Å; D100-F104 PolarHBondContact N-O 2.95Å; D102-F104 WeakPolarHBondContact OD1-CB 3.08Å; D102-F104 PolarHBondContact OD1-N 3.25Å; D102-F104 WeakPolarHBondContact OD2-CD2 3.44Å; F104-Y106 HydrophobicContact CB-CD2 4.26Å; F104-Y106 HydrophobicContact CB-CE2 3.81Å
105L98.4Very high93.7Very high0 Ų047.7 Ų47.70%024%0.237CC..EExtended strand (participates in β ladder)trans-89.8128.6162174.968.1000109.3P30 V31 I32 V80 M91 L94 Y95 E98 V107P30-L105 PolarHBondContact O-N 3.38Å; V31-L105 CarbonylContact C-O 3.52Å; V31-L105 VanDerWaalsContact CA-O 3.3Å; V31-L105 WeakPolarHBondContact CA-O 3.44Å; V31-L105 HydrophobicContact CG1-CD2 4.5Å; V31-L105 HydrophobicContact CG2-CB 4.4Å; V31-L105 HydrophobicContact CG2-CD2 4.31Å; I32-L105 PolarHBondContact N-O 3.15Å; V80-L105 HydrophobicContact CG1-CD1 4.02Å; M91-L105 HydrophobicContact CE-CD2 3.76Å; L94-L105 HydrophobicContact CB-CD2 4.47Å; L94-L105 HydrophobicContact CD2-CD2 4.01Å; L94-L105 HydrophobicContact CG-CD1 4.29Å; L94-L105 HydrophobicContact CG-CD2 3.94Å; Y95-L105 HydrophobicContact CD2-CB 3.86Å; E98-L105 HydrophobicContact CB-CD1 3.93Å; L105-V107 HydrophobicContact CD2-CG2 4.11Å; L105-V107 HydrophobicContact CG-CG2 4.03Å
106Y98.1Very high91.8Very high11 Ų1149.6 Ų49.64%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-103.7117.5-179.8-74.9-93000111W3 F5 K6 R14 I32 D100 D102 F104W3-Y106 HydrophobicContact CB-CD1 4.4Å; W3-Y106 HydrophobicContact CB-CE1 4.24Å; W3-Y106 AromaticContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CD1 3.47Å; W3-Y106 VanDerWaalsContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CE1 4.19Å; W3-Y106 HydrophobicContact CD2-CG 4.22Å; W3-Y106 AromaticContact CE2-CD1 3.82Å; W3-Y106 AromaticContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CE1 4.42Å; W3-Y106 HydrophobicContact CE3-CG 4.49Å; W3-Y106 AromaticContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CE1 4.1Å; W3-Y106 HydrophobicContact CH2-CD1 4.39Å; W3-Y106 VanDerWaalsContact CZ2-CB 3.47Å; W3-Y106 HydrophobicContact CZ2-CD1 4.3Å; W3-Y106 HydrophobicContact CZ2-CG 4.3Å; W3-Y106 HydrophobicContact CZ3-CD1 4.06Å; F5-Y106 HydrophobicContact CD1-CE1 4.04Å; K6-Y106 HydrophobicContact CD-CE1 4.4Å; K6-Y106 VanDerWaalsContact CE-CE2 3.46Å; K6-Y106 VanDerWaalsContact CE-OH 3.31Å; K6-Y106 WeakPolarHBondContact CE-OH 3.36Å; K6-Y106 HydrophobicContact CG-CE1 3.89Å; K6-Y106 VanDerWaalsContact CG-OH 3.22Å; K6-Y106 WeakPolarHBondContact CG-OH 3.24Å; R14-Y106 WeakPolarHBondContact CD-OH 3.14Å; R14-Y106 PolarHBondContact NH1-OH 2.84Å; R14-Y106 VanDerWaalsContact NH1-OH 3.07Å; I32-Y106 HydrophobicContact CB-CD1 3.74Å; I32-Y106 HydrophobicContact CB-CE1 3.88Å; I32-Y106 HydrophobicContact CB-CG 4.39Å; I32-Y106 HydrophobicContact CG1-CD1 4.24Å; I32-Y106 HydrophobicContact CG1-CE1 3.93Å; I32-Y106 HydrophobicContact CG2-CD1 3.89Å; I32-Y106 HydrophobicContact CG2-CE1 3.9Å; D100-Y106 HydrophobicContact CB-CD2 3.64Å; D100-Y106 HydrophobicContact CB-CE2 3.61Å; D102-Y106 PolarHBondContact OD2-OH 3.08Å; F104-Y106 HydrophobicContact CB-CD2 4.26Å; F104-Y106 HydrophobicContact CB-CE2 3.81Å
107V97.6Very high89.2Confident2 Ų255.9 Ų55.91%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-120.8125.8-178.2-178.60000109.1W3 V31 I32 V33 E34 F60 L78 F79 V80 L105W3-V107 VanDerWaalsContact CH2-C 3.48Å; V31-V107 HydrophobicContact CG1-CB 4.19Å; V31-V107 HydrophobicContact CG1-CG2 3.6Å; I32-V107 PolarHBondContact O-N 3.05Å; V33-V107 VanDerWaalsContact CA-O 3.25Å; V33-V107 WeakPolarHBondContact CA-O 3.48Å; E34-V107 PolarHBondContact N-O 3.37Å; E34-V107 VanDerWaalsContact N-O 3.1Å; F60-V107 HydrophobicContact CE1-CG1 4.34Å; F60-V107 HydrophobicContact CE1-CG2 4.36Å; L78-V107 HydrophobicContact CB-CG1 4Å; L78-V107 HydrophobicContact CD1-CG1 4.23Å; L78-V107 HydrophobicContact CD2-CG1 4.06Å; L78-V107 HydrophobicContact CG-CG1 4.33Å; F79-V107 WeakPolarHBondContact O-CA 3.29Å; V80-V107 HydrophobicContact CG2-CG2 3.92Å; L105-V107 HydrophobicContact CD2-CG2 4.11Å; L105-V107 HydrophobicContact CG-CG2 4.03Å
108A96.6Very high88.8Confident0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-101.6150.6171.700000110.8M1 W3 E34 V36 L78 F79M1-A108 HydrophobicContact CE-CB 3.15Å; M1-A108 HydrophobicContact SD-CB 3.59Å; M1-A108 VanDerWaalsContact SD-CB 3.59Å; W3-A108 HydrophobicContact CH2-CB 3.87Å; W3-A108 HydrophobicContact CZ3-CB 4.37Å; E34-A108 CarbonylContact O-C 3.56Å; E34-A108 WeakPolarHBondContact O-CA 3.33Å; V36-A108 HydrophobicContact CG2-CB 3.82Å; L78-A108 CarbonylContact C-O 3.55Å; L78-A108 VanDerWaalsContact CA-O 3.29Å; L78-A108 WeakPolarHBondContact CA-O 3.33Å; F79-A108 HydrophobicContact CB-CB 4.36Å; F79-A108 PolarHBondContact N-O 2.84Å; F79-A108 PolarHBondContact O-N 3.42Å
109Y96.3Very high88.4Confident1 Ų150.6 Ų50.60%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-126.2145.517471.1-80.5000112.3V33 E34 K35 V36 I41 V42 D43 I44 I68 I76 F77V33-Y109 HydrophobicContact CG1-CD1 3.61Å; V33-Y109 HydrophobicContact CG1-CE1 4.01Å; E34-Y109 WeakPolarHBondContact O-CD1 3.4Å; E34-Y109 WeakPolarHBondContact O-CE1 3.18Å; E34-Y109 PolarHBondContact O-N 3.47Å; K35-Y109 HydrophobicContact CB-CE1 3.91Å; K35-Y109 HydrophobicContact CB-CE2 4.21Å; K35-Y109 WeakPolarHBondContact CB-OH 3.2Å; K35-Y109 HydrophobicContact CD-CE2 4.4Å; K35-Y109 HydrophobicContact CG-CE2 3.97Å; K35-Y109 VanDerWaalsContact N-CE1 3.29Å; V36-Y109 PolarHBondContact N-O 3.5Å; I41-Y109 HydrophobicContact CD1-CD2 4.2Å; I41-Y109 HydrophobicContact CG1-CE2 4.47Å; I41-Y109 HydrophobicContact CG2-CD2 3.83Å; I41-Y109 HydrophobicContact CG2-CE2 3.66Å; V42-Y109 WeakPolarHBondContact O-CE2 3.44Å; V42-Y109 PolarHBondContact O-OH 3.34Å; D43-Y109 WeakPolarHBondContact CA-OH 3.42Å; I44-Y109 HydrophobicContact CB-CE1 4.16Å; I44-Y109 WeakPolarHBondContact CB-OH 3.49Å; I44-Y109 HydrophobicContact CG2-CE1 3.86Å; I44-Y109 PolarHBondContact N-OH 2.96Å; I68-Y109 HydrophobicContact CD1-CE2 4.44Å; I76-Y109 HydrophobicContact CD1-CD2 4.46Å; F77-Y109 WeakPolarHBondContact O-CA 3.34Å
110S95.3Very high87.9Confident3 Ų348.6 Ų48.62%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-142.9156.6176.9-1710000110.6S39 I76 F77 E112S39-S110 PolarHBondContact OG-OG 2.8Å; I76-S110 WeakPolarHBondContact CA-O 3.49Å; F77-S110 PolarHBondContact N-O 3.18Å; F77-S110 PolarHBondContact O-N 2.9Å; S110-E112 PolarHBondContact OG-N 3.04Å
111G93.8Very high87.3Confident26 Ų2648.6 Ų48.627%0.26826%0.262SS..SBendtrans-75.1-12.4165.700000113.9S39S39-G111 PolarHBondContact OG-N 3.04Å
112E88.5Confident86.7Confident95 Ų9542.1 Ų42.144%0.44423%0.234SC..SBendtrans-109.6147.9-178.4-64.4176.4-172.500111.2F77 S110 T114F77-E112 VanDerWaalsContact CD2-O 3.23Å; F77-E112 WeakPolarHBondContact CD2-O 3.23Å; S110-E112 PolarHBondContact OG-N 3.04Å; E112-T114 VanDerWaalsContact C-N 3.27Å; E112-T114 PolarHBondContact O-N 3.45Å
113N83.6Confident85.9Confident103 Ų10344.8 Ų44.855%0.55125%0.249SC*.SBendtrans-80.6-8.8-179.765.6-14.1000113.5F77F77-N113 HydrophobicContact CD1-CB 3.86Å; F77-N113 HydrophobicContact CD2-CB 4.05Å; F77-N113 HydrophobicContact CE1-CB 3.58Å; F77-N113 HydrophobicContact CE2-CB 3.77Å; F77-N113 HydrophobicContact CG-CB 4.09Å; F77-N113 HydrophobicContact CZ-CB 3.54Å
114T75.6Confident85Confident55 Ų5547 Ų4734%0.33726%0.256SS..SBendtrans-104.7141.917941.60000111.3E112 F117E112-T114 VanDerWaalsContact C-N 3.27Å; E112-T114 PolarHBondContact O-N 3.45Å; T114-F117 HydrophobicContact CG2-CE2 4.13Å; T114-F117 VanDerWaalsContact OG1-CE2 3.28Å; T114-F117 WeakPolarHBondContact OG1-CE2 3.28Å
115F66.4Low84Confident65 Ų6550.2 Ų50.229%0.28527%0.274SS..SBendtrans-90.4104.5178.1-163.6-92.2000111.1M1 V36 F79 K82M1-F115 HydrophobicContact CB-CZ 4.13Å; M1-F115 HydrophobicContact CE-CD2 4.27Å; M1-F115 HydrophobicContact CE-CE1 4.39Å; M1-F115 HydrophobicContact CE-CE2 3.14Å; M1-F115 HydrophobicContact CE-CZ 3.21Å; M1-F115 HydrophobicContact CG-CZ 3.92Å; M1-F115 HydrophobicContact SD-CZ 4.25Å; V36-F115 HydrophobicContact CB-CE2 4.35Å; V36-F115 HydrophobicContact CG1-CD2 4.36Å; V36-F115 HydrophobicContact CG1-CE2 3.78Å; V36-F115 HydrophobicContact CG1-CZ 4.13Å; V36-F115 HydrophobicContact CG2-CD2 4.18Å; V36-F115 HydrophobicContact CG2-CE2 3.59Å; F79-F115 HydrophobicContact CB-CD2 4.48Å; F79-F115 HydrophobicContact CD1-CD2 4.2Å; F79-F115 HydrophobicContact CD2-CD2 4.41Å; F79-F115 HydrophobicContact CE1-CB 4.4Å; F79-F115 HydrophobicContact CG-CD2 4.11Å; K82-F115 HydrophobicContact CB-CD1 4.36Å; K82-F115 HydrophobicContact CB-CG 4.35Å; K82-F115 HydrophobicContact CG-CD1 4.12Å; K82-F115 HydrophobicContact CG-CE1 4.24Å
116G57.3Low82.8Confident54 Ų5454.3 Ų54.356%0.55730%0.297SS*.  trans75.775.516400000116.7
117F44.5Very low81.4Confident237 Ų23758.3 Ų58.3100%1.03932%0.32SS*.  trans-78.50151.1-73-73.9000110.7T114T114-F117 HydrophobicContact CG2-CE2 4.13Å; T114-F117 VanDerWaalsContact OG1-CE2 3.28Å; T114-F117 WeakPolarHBondContact OG1-CE2 3.28Å

Retrieved 117 of 117 residues in 1089.7 ms (Link to these results)