A0A077Z7A4_TRITR Loading...

Ubiquitin-like-conjugating enzyme ATG10

AlphaFold DB , UniProt , Accession A0A077Z7A4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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
1M81.3Confident92.5Very high152 Ų15254.6 Ų54.675%0.74929%0.291SS*.  0158.40-69.1179.3-77.600109K61 R130M1-K61 HydrophobicContact CB-CB 4.08Å; M1-K61 HydrophobicContact CG-CB 4.48Å; M1-K61 HydrophobicContact SD-CB 4.02Å; M1-K61 HydrophobicContact SD-CG 4.19Å; M1-R130 PolarHBondContact O-NH2 2.89Å
2L89.3Confident92.8Very high5 Ų559.1 Ų59.13%0.02630%0.3CS..  trans-78.8134.6172.2-175.769.1000107.9E6 F7 Y56 L126 R130 C139L2-E6 WeakPolarHBondContact CA-OE2 3.48Å; L2-E6 HydrophobicContact CD1-CB 3.59Å; L2-E6 HydrophobicContact CG-CB 4.3Å; L2-F7 HydrophobicContact CD2-CB 3.93Å; L2-F7 HydrophobicContact CD2-CD2 4.16Å; L2-F7 HydrophobicContact CG-CB 4.28Å; L2-Y56 PolarHBondContact O-OH 2.83Å; L2-L126 HydrophobicContact CB-CD1 4.38Å; L2-R130 VanDerWaalsContact N-NH2 3.17Å; L2-C139 HydrophobicContact CD1-CB 4.26Å
3T92.2Very high93Very high56 Ų5661.6 Ų61.634%0.34431%0.31SS..  trans-84.4163.6173.285.40000111.6E5 E6 F7T3-E5 VanDerWaalsContact C-N 3.26Å; T3-E5 VanDerWaalsContact CB-OE2 3.31Å; T3-E5 WeakPolarHBondContact CB-OE2 3.45Å; T3-E5 PolarHBondContact O-N 3.32Å; T3-E5 PolarHBondContact OG1-N 2.87Å; T3-E5 PolarHBondContact OG1-OE2 2.96Å; T3-E6 HydrophobicContact CG2-CG 4.36Å; T3-E6 PolarHBondContact N-OE2 2.76Å; T3-E6 PolarHBondContact O-N 3.4Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-N 2.88Å; T3-F7 WeakPolarHBondContact O-CB 3.33Å; T3-F7 PolarHBondContact O-N 3.06Å
4A92.2Very high93.2Very high32 Ų3257.3 Ų57.326%0.26429%0.289SS..Hα-helixtrans-63.4-35.8174.700000111.3A8 Y56A4-A8 WeakPolarHBondContact O-CB 3.22Å; A4-A8 PolarHBondContact O-N 3.16Å; A4-Y56 HydrophobicContact CB-CD1 4Å; A4-Y56 HydrophobicContact CB-CE1 3.65Å; A4-Y56 PolarHBondContact N-OH 3.28Å
5E92.5Very high93.4Very high132 Ų13254.1 Ų54.162%0.61727%0.274SS*.Hα-helixtrans-67-46.5175.1-57.581.2-170.700111.7T3 F7 A8 I9T3-E5 VanDerWaalsContact C-N 3.26Å; T3-E5 VanDerWaalsContact CB-OE2 3.31Å; T3-E5 WeakPolarHBondContact CB-OE2 3.45Å; T3-E5 PolarHBondContact O-N 3.32Å; T3-E5 PolarHBondContact OG1-N 2.87Å; T3-E5 PolarHBondContact OG1-OE2 2.96Å; E5-F7 VanDerWaalsContact C-N 3.3Å; E5-F7 PolarHBondContact O-N 3.24Å; E5-A8 PolarHBondContact O-N 3.35Å; E5-I9 WeakPolarHBondContact O-CG1 3.33Å; E5-I9 PolarHBondContact O-N 3.27Å
6E92.8Very high93.6Very high86 Ų8659.6 Ų59.640%0.40230%0.299SS..Hα-helixtrans-60.2-42.1175.9-69.8175.9152.500111.3L2 T3 I9 C10L2-E6 WeakPolarHBondContact CA-OE2 3.48Å; L2-E6 HydrophobicContact CD1-CB 3.59Å; L2-E6 HydrophobicContact CG-CB 4.3Å; T3-E6 HydrophobicContact CG2-CG 4.36Å; T3-E6 PolarHBondContact N-OE2 2.76Å; T3-E6 PolarHBondContact O-N 3.4Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-N 2.88Å; E6-I9 PolarHBondContact O-N 3.19Å; E6-C10 WeakPolarHBondContact O-CB 3.29Å; E6-C10 PolarHBondContact O-N 3.44Å; E6-C10 PolarHBondContact O-SG 2.68Å
7F94.9Very high93.6Very high4 Ų459.4 Ų59.42%0.01830%0.296CS..Hα-helixtrans-59-48173.5172.1-92.8000111.4L2 T3 E5 I9 C10 C11 L37 V54 Y56 P63 V140L2-F7 HydrophobicContact CD2-CB 3.93Å; L2-F7 HydrophobicContact CD2-CD2 4.16Å; L2-F7 HydrophobicContact CG-CB 4.28Å; T3-F7 WeakPolarHBondContact O-CB 3.33Å; T3-F7 PolarHBondContact O-N 3.06Å; E5-F7 VanDerWaalsContact C-N 3.3Å; E5-F7 PolarHBondContact O-N 3.24Å; F7-I9 PolarHBondContact O-N 3.22Å; F7-C10 PolarHBondContact O-N 2.91Å; F7-C11 VanDerWaalsContact CE2-SG 3.59Å; F7-C11 WeakPolarHBondContact CZ-SG 3.35Å; F7-C11 WeakPolarHBondContact O-CB 3.49Å; F7-C11 PolarHBondContact O-N 2.99Å; F7-C11 PolarHBondContact O-SG 3.16Å; F7-C11 VanDerWaalsContact O-SG 3.42Å; F7-L37 HydrophobicContact CE1-CD2 4.06Å; F7-V54 HydrophobicContact CE2-CG1 3.87Å; F7-V54 HydrophobicContact CZ-CG1 4.09Å; F7-Y56 HydrophobicContact CB-CD2 3.76Å; F7-Y56 HydrophobicContact CB-CE2 4.16Å; F7-Y56 HydrophobicContact CB-CG 4.35Å; F7-Y56 HydrophobicContact CD1-CD2 4.26Å; F7-Y56 HydrophobicContact CD1-CG 4.17Å; F7-Y56 AromaticContact CD2-CD2 3.88Å; F7-Y56 HydrophobicContact CD2-CD2 3.88Å; F7-Y56 HydrophobicContact CD2-CG 4.48Å; F7-Y56 AromaticContact CG-CD2 3.69Å; F7-Y56 HydrophobicContact CG-CD2 3.69Å; F7-Y56 HydrophobicContact CG-CG 4.07Å; F7-P63 HydrophobicContact CD2-CB 4.22Å; F7-P63 HydrophobicContact CE2-CB 3.93Å; F7-V140 HydrophobicContact CD2-CG2 3.83Å; F7-V140 HydrophobicContact CE2-CG2 4.12Å
8A95Very high93.8Very high22 Ų2256.1 Ų56.118%0.18228%0.279CS..Hα-helixtrans-62-42.818000000112A4 E5 C11 R12 L37A4-A8 WeakPolarHBondContact O-CB 3.22Å; A4-A8 PolarHBondContact O-N 3.16Å; E5-A8 PolarHBondContact O-N 3.35Å; A8-C11 PolarHBondContact O-N 3.34Å; A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 2.97Å; A8-L37 HydrophobicContact CB-CD1 4.23Å
9I94.9Very high93.8Very high98 Ų9858.5 Ų58.550%0.50330%0.297SS..Hα-helixtrans-59.5-51.5174.7-68.4165.1000110E5 E6 F7 C11 R12 E13E5-I9 WeakPolarHBondContact O-CG1 3.33Å; E5-I9 PolarHBondContact O-N 3.27Å; E6-I9 PolarHBondContact O-N 3.19Å; F7-I9 PolarHBondContact O-N 3.22Å; I9-C11 VanDerWaalsContact C-N 3.3Å; I9-C11 PolarHBondContact O-N 3.29Å; I9-R12 PolarHBondContact O-N 3.45Å; I9-R12 VanDerWaalsContact O-N 3.13Å; I9-E13 WeakPolarHBondContact O-CG 3.29Å; I9-E13 PolarHBondContact O-N 3.32Å
10C95.1Very high93.9Very high14 Ų1459.1 Ų59.110%0.09531%0.312CS..Hα-helixtrans-59-41.7179.8-69.90000112E6 F7 L14 N138 V140E6-C10 WeakPolarHBondContact O-CB 3.29Å; E6-C10 PolarHBondContact O-N 3.44Å; E6-C10 PolarHBondContact O-SG 2.68Å; F7-C10 PolarHBondContact O-N 2.91Å; C10-L14 VanDerWaalsContact O-CB 3.32Å; C10-L14 WeakPolarHBondContact O-CB 3.49Å; C10-L14 PolarHBondContact O-N 3.31Å; C10-N138 VanDerWaalsContact CA-ND2 3.29Å; C10-N138 WeakPolarHBondContact CA-ND2 3.46Å; C10-N138 PolarHBondContact O-ND2 3.32Å; C10-V140 HydrophobicContact CB-CB 3.92Å; C10-V140 HydrophobicContact CB-CG2 3.53Å
11C97.1Very high93.9Very high0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-66-37178.3-78.30000112.7F7 A8 I9 L14 A15 L37 I39F7-C11 VanDerWaalsContact CE2-SG 3.59Å; F7-C11 WeakPolarHBondContact CZ-SG 3.35Å; F7-C11 WeakPolarHBondContact O-CB 3.49Å; F7-C11 PolarHBondContact O-N 2.99Å; F7-C11 PolarHBondContact O-SG 3.16Å; F7-C11 VanDerWaalsContact O-SG 3.42Å; A8-C11 PolarHBondContact O-N 3.34Å; I9-C11 VanDerWaalsContact C-N 3.3Å; I9-C11 PolarHBondContact O-N 3.29Å; C11-L14 PolarHBondContact O-N 2.72Å; C11-A15 WeakPolarHBondContact O-CB 3.27Å; C11-A15 PolarHBondContact O-N 2.69Å; C11-L37 HydrophobicContact CB-CD2 3.47Å; C11-L37 VanDerWaalsContact CB-CD2 3.47Å; C11-I39 HydrophobicContact CB-CD1 4.36Å; C11-I39 HydrophobicContact CB-CG2 3.81Å
12R96.3Very high94.4Very high108 Ų10856.5 Ų56.541%0.40831%0.305SS..Hα-helixtrans-66.1-47.9176.2-71.7-179.5-165.2-65.3-1.8111.9A8 I9 L14 A15 E16 I28 E30A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 2.97Å; I9-R12 PolarHBondContact O-N 3.45Å; I9-R12 VanDerWaalsContact O-N 3.13Å; R12-L14 VanDerWaalsContact C-N 3.3Å; R12-L14 PolarHBondContact O-N 3.22Å; R12-A15 PolarHBondContact O-N 3.26Å; R12-E16 WeakPolarHBondContact O-CB 3.39Å; R12-E16 PolarHBondContact O-N 3.2Å; R12-I28 HydrophobicContact CB-CD1 4.39Å; R12-I28 HydrophobicContact CG-CD1 3.94Å; R12-E30 IonicContact CZ-OE1 2.78Å; R12-E30 IonicContact NH1-OE1 2.79Å; R12-E30 PolarHBondContact NH1-OE1 3.25Å; R12-E30 IonicContact NH2-OE1 3.15Å; R12-E30 PolarHBondContact NH2-OE1 2.94Å; R12-E30 IonicContact NH2-OE2 2.63Å
13E95.3Very high94.5Very high92 Ų9258.9 Ų58.943%0.4333%0.332SS..Hα-helixtrans-59.9-40.9175.7-71.9174.3176.600112I9 E16 K17 N138I9-E13 WeakPolarHBondContact O-CG 3.29Å; I9-E13 PolarHBondContact O-N 3.32Å; E13-E16 PolarHBondContact O-N 2.71Å; E13-K17 VanDerWaalsContact O-CB 3.3Å; E13-K17 WeakPolarHBondContact O-CB 3.24Å; E13-K17 PolarHBondContact O-N 2.85Å; E13-N138 WeakPolarHBondContact CB-ND2 3.47Å; E13-N138 PolarHBondContact OE2-ND2 3.4Å
14L95.8Very high94.6Very high1 Ų157 Ų571%0.00532%0.319CS..Hα-helixtrans-64.2-46.3176.8173.655.2000111.4C10 C11 R12 E16 K17 S18 W26 I39 V140 L141 L144C10-L14 VanDerWaalsContact O-CB 3.32Å; C10-L14 WeakPolarHBondContact O-CB 3.49Å; C10-L14 PolarHBondContact O-N 3.31Å; C11-L14 PolarHBondContact O-N 2.72Å; R12-L14 VanDerWaalsContact C-N 3.3Å; R12-L14 PolarHBondContact O-N 3.22Å; L14-E16 VanDerWaalsContact C-N 3.35Å; L14-E16 PolarHBondContact O-N 3.47Å; L14-K17 PolarHBondContact O-N 2.92Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.85Å; L14-W26 HydrophobicContact CG-CG 4.41Å; L14-I39 HydrophobicContact CD2-CD1 3.49Å; L14-I39 VanDerWaalsContact CD2-CD1 3.49Å; L14-I39 HydrophobicContact CG-CD1 4.14Å; L14-V140 HydrophobicContact CD2-CG1 4.07Å; L14-L141 HydrophobicContact CD1-CB 4.36Å; L14-L141 HydrophobicContact CD1-CD1 3.89Å; L14-L144 HydrophobicContact CD2-CD1 3.55Å
15A96.7Very high94.7Very high9 Ų959.1 Ų59.17%0.07432%0.323CS..Hα-helixtrans-60-45.4176.200000111.6C11 R12 S18 W26 I28C11-A15 WeakPolarHBondContact O-CB 3.27Å; C11-A15 PolarHBondContact O-N 2.69Å; R12-A15 PolarHBondContact O-N 3.26Å; A15-S18 PolarHBondContact O-N 2.89Å; A15-S18 PolarHBondContact O-OG 3.14Å; A15-W26 HydrophobicContact CB-CB 4.46Å; A15-W26 WeakPolarHBondContact CB-O 3.18Å; A15-I28 HydrophobicContact CB-CD1 3.82Å; A15-I28 HydrophobicContact CB-CG1 3.61Å
16E95.8Very high95Very high142 Ų14253.2 Ų53.266%0.66430%0.295SS*.Hα-helixtrans-60.5-50.4175.6-177.1172.4-170.500111.7R12 E13 L14 S18 T19R12-E16 WeakPolarHBondContact O-CB 3.39Å; R12-E16 PolarHBondContact O-N 3.2Å; E13-E16 PolarHBondContact O-N 2.71Å; L14-E16 VanDerWaalsContact C-N 3.35Å; L14-E16 PolarHBondContact O-N 3.47Å; E16-S18 PolarHBondContact O-N 3.46Å; E16-T19 WeakPolarHBondContact O-CB 3.42Å; E16-T19 WeakPolarHBondContact O-CG2 3.42Å; E16-T19 PolarHBondContact O-N 2.93Å; E16-T19 VanDerWaalsContact O-N 3.09Å; E16-T19 PolarHBondContact O-OG1 3.15Å
17K94.6Very high95.1Very high57 Ų5753.3 Ų53.325%0.24830%0.298CS..Hα-helixtrans-58.8-33.6177.9-169.6170.6-166.9175.20112.2E13 L14 T19 A20 F21 L141 M159 C161E13-K17 VanDerWaalsContact O-CB 3.3Å; E13-K17 WeakPolarHBondContact O-CB 3.24Å; E13-K17 PolarHBondContact O-N 2.85Å; L14-K17 PolarHBondContact O-N 2.92Å; K17-T19 PolarHBondContact O-N 3.41Å; K17-A20 PolarHBondContact O-N 3.37Å; K17-F21 WeakPolarHBondContact O-CD2 3.13Å; K17-F21 WeakPolarHBondContact O-CE2 3.5Å; K17-L141 HydrophobicContact CD-CD2 4.42Å; K17-M159 VanDerWaalsContact CE-O 3.24Å; K17-M159 WeakPolarHBondContact CE-O 3.4Å; K17-M159 PolarHBondContact NZ-O 2.98Å; K17-C161 PolarHBondContact NZ-O 2.68Å
18S95.8Very high95.2Very high0 Ų056 Ų560%031%0.312CS..Hα-helixtrans-67.5-20.6179.979.10000114.6L14 A15 E16 A20 F21 W26 M159L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.85Å; A15-S18 PolarHBondContact O-N 2.89Å; A15-S18 PolarHBondContact O-OG 3.14Å; E16-S18 PolarHBondContact O-N 3.46Å; S18-A20 PolarHBondContact O-N 3.29Å; S18-A20 VanDerWaalsContact O-N 3.16Å; S18-F21 PolarHBondContact O-N 3.4Å; S18-W26 PolarHBondContact OG-N 3.45Å; S18-M159 VanDerWaalsContact CA-CE 3.41Å; S18-M159 VanDerWaalsContact CB-CE 3.49Å
19T95.1Very high95Very high102 Ų10258.6 Ų58.663%0.62632%0.32SS*.THydrogen-bonded Turntrans-63.9-20177.565.70000113.3E16 K17 F21E16-T19 WeakPolarHBondContact O-CB 3.42Å; E16-T19 WeakPolarHBondContact O-CG2 3.42Å; E16-T19 PolarHBondContact O-N 2.93Å; E16-T19 VanDerWaalsContact O-N 3.09Å; E16-T19 PolarHBondContact O-OG1 3.15Å; K17-T19 PolarHBondContact O-N 3.41Å; T19-F21 PolarHBondContact O-N 2.68Å
20A95Very high94.7Very high70 Ų7058.3 Ų58.358%0.57932%0.316SS*.THydrogen-bonded Turntrans-77.1-2.6173.700000113.6K17 S18 P22K17-A20 PolarHBondContact O-N 3.37Å; S18-A20 PolarHBondContact O-N 3.29Å; S18-A20 VanDerWaalsContact O-N 3.16Å; A20-P22 WeakPolarHBondContact O-CD 3.26Å
21F94.3Very high94Very high39 Ų3958.9 Ų58.917%0.17132%0.32CS..SBendtrans-124.884.6-175-59.3-85.8000110.6K17 S18 T19 G23 F24 P156 Q158 M159K17-F21 WeakPolarHBondContact O-CD2 3.13Å; K17-F21 WeakPolarHBondContact O-CE2 3.5Å; S18-F21 PolarHBondContact O-N 3.4Å; T19-F21 PolarHBondContact O-N 2.68Å; F21-G23 PolarHBondContact O-N 3.07Å; F21-F24 HydrophobicContact CB-CB 3.95Å; F21-F24 WeakPolarHBondContact O-CA 3.41Å; F21-F24 PolarHBondContact O-N 2.73Å; F21-P156 HydrophobicContact CD1-CB 3.9Å; F21-P156 HydrophobicContact CD1-CG 4.22Å; F21-P156 HydrophobicContact CE1-CB 4.09Å; F21-Q158 HydrophobicContact CE1-CB 3.79Å; F21-Q158 HydrophobicContact CZ-CB 3.93Å; F21-M159 HydrophobicContact CB-CE 4.43Å; F21-M159 HydrophobicContact CD2-CE 3.54Å; F21-M159 HydrophobicContact CD2-CG 3.87Å; F21-M159 HydrophobicContact CE1-CG 4.3Å; F21-M159 HydrophobicContact CE2-CE 4.04Å; F21-M159 HydrophobicContact CE2-CG 3.5Å; F21-M159 VanDerWaalsContact CE2-CG 3.5Å; F21-M159 HydrophobicContact CG-CE 4.11Å; F21-M159 HydrophobicContact CG-CG 4.4Å; F21-M159 HydrophobicContact CZ-CG 3.73Å
22P91.6Very high92.9Very high117 Ų11768.3 Ų68.376%0.7636%0.361SS*.THydrogen-bonded Turntrans-54126.3-179.2-27.935.9000112.8A20 F24 E25A20-P22 WeakPolarHBondContact O-CD 3.26Å; P22-F24 VanDerWaalsContact C-N 3.3Å; P22-E25 VanDerWaalsContact CA-OE1 3.26Å; P22-E25 WeakPolarHBondContact CA-OE1 3.39Å
23G91.4Very high91.4Very high56 Ų5670.8 Ų70.858%0.57738%0.382SS*.THydrogen-bonded Turntrans82.60.6-175.600000114.8F21 E25F21-G23 PolarHBondContact O-N 3.07Å; G23-E25 VanDerWaalsContact C-OE2 3.3Å; G23-E25 WeakPolarHBondContact CA-OE2 3.35Å; G23-E25 VanDerWaalsContact N-CD 3.29Å; G23-E25 PolarHBondContact N-OE1 2.76Å; G23-E25 PolarHBondContact N-OE2 2.82Å
24F94.1Very high90Very high16 Ų1671.9 Ų71.97%0.0738%0.383CS..  trans-12331.9174.4-157.3-92.2000112.4F21 P22 W26 R41 L153 E154 M155 P156 M159F21-F24 HydrophobicContact CB-CB 3.95Å; F21-F24 WeakPolarHBondContact O-CA 3.41Å; F21-F24 PolarHBondContact O-N 2.73Å; P22-F24 VanDerWaalsContact C-N 3.3Å; F24-W26 AromaticContact CE1-NE1 3.64Å; F24-R41 VanDerWaalsContact CE2-NE 3.3Å; F24-L153 HydrophobicContact CE2-CD1 4.13Å; F24-L153 HydrophobicContact CZ-CD1 4.03Å; F24-E154 WeakPolarHBondContact CE2-O 3.49Å; F24-E154 WeakPolarHBondContact CZ-O 3.44Å; F24-M155 HydrophobicContact CE1-CE 4.02Å; F24-M155 HydrophobicContact CE1-SD 3.75Å; F24-M155 HydrophobicContact CZ-CE 4.41Å; F24-M155 HydrophobicContact CZ-CG 4.5Å; F24-M155 HydrophobicContact CZ-SD 3.53Å; F24-M155 VanDerWaalsContact CZ-SD 3.53Å; F24-P156 HydrophobicContact CB-CG 4.12Å; F24-P156 HydrophobicContact CD1-CG 3.62Å; F24-P156 HydrophobicContact CD2-CG 4Å; F24-P156 HydrophobicContact CE1-CG 4.09Å; F24-P156 HydrophobicContact CE2-CG 4.42Å; F24-P156 HydrophobicContact CG-CG 3.62Å; F24-P156 VanDerWaalsContact CZ-CD 3.47Å; F24-P156 HydrophobicContact CZ-CG 4.48Å; F24-M159 HydrophobicContact CD1-CE 3.63Å; F24-M159 HydrophobicContact CD1-SD 3.8Å; F24-M159 HydrophobicContact CE1-CE 4.06Å; F24-M159 HydrophobicContact CE1-SD 3.72Å
25E95.1Very high88.9Confident77 Ų7775.3 Ų75.336%0.3642%0.418SS..  trans-77.5136.4-176.7-5884.5169.200112.1P22 G23P22-E25 VanDerWaalsContact CA-OE1 3.26Å; P22-E25 WeakPolarHBondContact CA-OE1 3.39Å; G23-E25 VanDerWaalsContact C-OE2 3.3Å; G23-E25 WeakPolarHBondContact CA-OE2 3.35Å; G23-E25 VanDerWaalsContact N-CD 3.29Å; G23-E25 PolarHBondContact N-OE1 2.76Å; G23-E25 PolarHBondContact N-OE2 2.82Å
26W97.4Very high88.3Confident7 Ų776.5 Ų76.53%0.02742%0.424CS..  trans-96.5125.3165.7-72.290.3000109L14 A15 S18 F24 I39 R41 F52 V54 L144 L153 M155L14-W26 HydrophobicContact CG-CG 4.41Å; A15-W26 HydrophobicContact CB-CB 4.46Å; A15-W26 WeakPolarHBondContact CB-O 3.18Å; S18-W26 PolarHBondContact OG-N 3.45Å; F24-W26 AromaticContact CE1-NE1 3.64Å; W26-I39 HydrophobicContact CD2-CD1 4.18Å; W26-I39 HydrophobicContact CE3-CB 4.09Å; W26-I39 HydrophobicContact CE3-CD1 3.85Å; W26-I39 HydrophobicContact CE3-CG1 3.83Å; W26-I39 HydrophobicContact CZ3-CD1 4.4Å; W26-I39 HydrophobicContact CZ3-CG1 4.26Å; W26-R41 HydrophobicContact CD2-CB 4Å; W26-R41 HydrophobicContact CE3-CB 3.8Å; W26-R41 HydrophobicContact CH2-CB 4.21Å; W26-R41 HydrophobicContact CZ2-CB 4.38Å; W26-R41 HydrophobicContact CZ3-CB 3.91Å; W26-F52 HydrophobicContact CH2-CB 4.19Å; W26-F52 HydrophobicContact CZ3-CB 4.48Å; W26-V54 HydrophobicContact CH2-CG2 4Å; W26-V54 HydrophobicContact CZ3-CG2 3.92Å; W26-L144 HydrophobicContact CH2-CD1 4.44Å; W26-L144 HydrophobicContact CZ2-CD1 4.03Å; W26-L153 HydrophobicContact CH2-CD2 3.9Å; W26-L153 HydrophobicContact CZ2-CD2 3.84Å; W26-M155 HydrophobicContact CZ2-SD 4.36Å
27I96.7Very high88.2Confident89 Ų8970.4 Ų70.446%0.45640%0.396SS..EExtended strand (participates in β ladder)trans-107.9126.3-176.6-58.3174.8000109.1I39 R40I27-I39 CarbonylContact O-C 3.59Å; I27-I39 WeakPolarHBondContact O-CA 3.5Å; I27-R40 HydrophobicContact CB-CG 4.34Å; I27-R40 PolarHBondContact N-O 3.49Å; I27-R40 PolarHBondContact O-N 2.83Å
28I95.8Very high88.2Confident61 Ų6167.7 Ų67.731%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-72.1131.8173.9-60.2161.2000109.4R12 A15 E30 L37 I39R12-I28 HydrophobicContact CB-CD1 4.39Å; R12-I28 HydrophobicContact CG-CD1 3.94Å; A15-I28 HydrophobicContact CB-CD1 3.82Å; A15-I28 HydrophobicContact CB-CG1 3.61Å; I28-E30 HydrophobicContact CG2-CG 3.89Å; I28-L37 HydrophobicContact CG2-CD1 4.06Å; I28-L37 HydrophobicContact CG2-CG 4.15Å; I28-I39 HydrophobicContact CG1-CG2 3.88Å
29H92.2Very high88.3Confident75 Ų7567.7 Ų67.735%0.34739%0.385SS..EExtended strand (participates in β ladder)trans-129.1112.7171-177.4-92.6000109.5V38H29-V38 PolarHBondContact N-O 3.46Å; H29-V38 PolarHBondContact O-N 3.34Å; H29-V38 VanDerWaalsContact O-O 3.14Å
30E87.2Confident88.3Confident93 Ų9366.7 Ų66.744%0.43537%0.369SS..EExtended strand (participates in β ladder)trans-107.5124-178.7-75175.8-140.500111.5R12 I28 K32 L37R12-E30 IonicContact CZ-OE1 2.78Å; R12-E30 IonicContact NH1-OE1 2.79Å; R12-E30 PolarHBondContact NH1-OE1 3.25Å; R12-E30 IonicContact NH2-OE1 3.15Å; R12-E30 PolarHBondContact NH2-OE1 2.94Å; R12-E30 IonicContact NH2-OE2 2.63Å; I28-E30 HydrophobicContact CG2-CG 3.89Å; E30-K32 PolarHBondContact O-N 3.13Å; E30-L37 HydrophobicContact CG-CB 4.19Å; E30-L37 HydrophobicContact CG-CD1 4.02Å; E30-L37 HydrophobicContact CG-CG 4.02Å
31C80.8Confident88.4Confident25 Ų2564.1 Ų64.117%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-86.195.3172.1-169.60000109.6N33 R34 G35 T36 I109C31-N33 PolarHBondContact O-N 3.35Å; C31-N33 VanDerWaalsContact O-N 3.09Å; C31-R34 PolarHBondContact O-N 3.21Å; C31-G35 PolarHBondContact O-N 3.1Å; C31-T36 PolarHBondContact N-O 2.82Å; C31-I109 HydrophobicContact CB-CD1 4.07Å; C31-I109 HydrophobicContact CB-CG1 4.25Å
32K73.3Confident88.4Confident199 Ų19964.7 Ų64.787%0.86535%0.351SS*.THydrogen-bonded Turntrans-48.4-39.5-176.9-67.6-173.3178.3-1780114.1E30 R34E30-K32 PolarHBondContact O-N 3.13Å; K32-R34 VanDerWaalsContact C-N 3.31Å; K32-R34 PolarHBondContact O-N 3.06Å
33N64.8Low88.5Confident160 Ų16060.8 Ų60.886%0.85632%0.323SS*.THydrogen-bonded Turntrans-75-18.4-176-65.1-5000113.8C31C31-N33 PolarHBondContact O-N 3.35Å; C31-N33 VanDerWaalsContact O-N 3.09Å
34R66.8Low88.6Confident115 Ų11563.5 Ų63.543%0.43433%0.328SS..THydrogen-bonded Turntrans-117.7-5.7-175.7-70.8-170-81.3-131.42.5113.7C31 K32 T36 I109C31-R34 PolarHBondContact O-N 3.21Å; K32-R34 VanDerWaalsContact C-N 3.31Å; K32-R34 PolarHBondContact O-N 3.06Å; R34-T36 WeakPolarHBondContact CB-OG1 3.12Å; R34-T36 PolarHBondContact O-N 3.23Å; R34-T36 PolarHBondContact O-OG1 3.35Å; R34-I109 PolarHBondContact NH2-O 3.04Å
35G72.9Confident88.5Confident72 Ų7265.9 Ų65.974%0.74235%0.346SS*.THydrogen-bonded Turntrans61.411.1-171.600000113.5C31 L37C31-G35 PolarHBondContact O-N 3.1Å; G35-L37 PolarHBondContact O-N 3Å
36T83.7Confident88.4Confident35 Ų3566.8 Ų66.822%0.21537%0.367CS..EExtended strand (participates in β ladder)trans-82.6116-176.5-45.80000109.5C31 R34 V38 I109C31-T36 PolarHBondContact N-O 2.82Å; R34-T36 WeakPolarHBondContact CB-OG1 3.12Å; R34-T36 PolarHBondContact O-N 3.23Å; R34-T36 PolarHBondContact O-OG1 3.35Å; T36-V38 HydrophobicContact CG2-CG2 4.3Å; T36-I109 HydrophobicContact CG2-CG1 4.33Å
37L93.2Very high88Confident13 Ų1373.9 Ų73.97%0.06840%0.4CS..EExtended strand (participates in β ladder)trans-92.5132.8170.2-174.9150.5000109.6F7 A8 C11 I28 E30 G35 I39F7-L37 HydrophobicContact CE1-CD2 4.06Å; A8-L37 HydrophobicContact CB-CD1 4.23Å; C11-L37 HydrophobicContact CB-CD2 3.47Å; C11-L37 VanDerWaalsContact CB-CD2 3.47Å; I28-L37 HydrophobicContact CG2-CD1 4.06Å; I28-L37 HydrophobicContact CG2-CG 4.15Å; E30-L37 HydrophobicContact CG-CB 4.19Å; E30-L37 HydrophobicContact CG-CD1 4.02Å; E30-L37 HydrophobicContact CG-CG 4.02Å; G35-L37 PolarHBondContact O-N 3Å; L37-I39 HydrophobicContact CD2-CG2 4.24Å
38V95.2Very high87.9Confident1 Ų171.4 Ų71.41%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-129.8138170.6176.70000107.7H29 T36 H53 V54 C55 I109H29-V38 PolarHBondContact N-O 3.46Å; H29-V38 PolarHBondContact O-N 3.34Å; H29-V38 VanDerWaalsContact O-O 3.14Å; T36-V38 HydrophobicContact CG2-CG2 4.3Å; V38-H53 HydrophobicContact CG1-CB 4.07Å; V38-V54 WeakPolarHBondContact CA-O 2.99Å; V38-C55 HydrophobicContact CG2-CB 4.3Å; V38-C55 WeakPolarHBondContact CG2-SG 3.42Å; V38-I109 HydrophobicContact CB-CD1 4Å; V38-I109 HydrophobicContact CG2-CD1 3.42Å; V38-I109 VanDerWaalsContact CG2-CD1 3.42Å; V38-I109 HydrophobicContact CG2-CG1 4.05Å
39I97.2Very high87.9Confident0 Ų073.4 Ų73.40%039%0.391CS..EExtended strand (participates in β ladder)trans-101.2135.6162.756.7173.8000108.4C11 L14 W26 I27 I28 L37 H53 V54C11-I39 HydrophobicContact CB-CD1 4.36Å; C11-I39 HydrophobicContact CB-CG2 3.81Å; L14-I39 HydrophobicContact CD2-CD1 3.49Å; L14-I39 VanDerWaalsContact CD2-CD1 3.49Å; L14-I39 HydrophobicContact CG-CD1 4.14Å; W26-I39 HydrophobicContact CD2-CD1 4.18Å; W26-I39 HydrophobicContact CE3-CB 4.09Å; W26-I39 HydrophobicContact CE3-CD1 3.85Å; W26-I39 HydrophobicContact CE3-CG1 3.83Å; W26-I39 HydrophobicContact CZ3-CD1 4.4Å; W26-I39 HydrophobicContact CZ3-CG1 4.26Å; I27-I39 CarbonylContact O-C 3.59Å; I27-I39 WeakPolarHBondContact O-CA 3.5Å; I28-I39 HydrophobicContact CG1-CG2 3.88Å; L37-I39 HydrophobicContact CD2-CG2 4.24Å; I39-H53 CarbonylContact O-C 3.49Å; I39-H53 WeakPolarHBondContact O-CA 3.3Å; I39-V54 HydrophobicContact CD1-CB 4.12Å; I39-V54 HydrophobicContact CD1-CG2 4.39Å; I39-V54 HydrophobicContact CG1-CB 3.67Å; I39-V54 HydrophobicContact CG1-CG2 4.26Å; I39-V54 PolarHBondContact N-O 2.91Å; I39-V54 VanDerWaalsContact N-O 3.16Å; I39-V54 PolarHBondContact O-N 2.82Å
40R96.4Very high88Confident81 Ų8171.9 Ų71.931%0.30638%0.382SS..EExtended strand (participates in β ladder)trans-123.5148.9179.867.8177.7-171.3111.34.5111.6I27 E51 F52 H53I27-R40 HydrophobicContact CB-CG 4.34Å; I27-R40 PolarHBondContact N-O 3.49Å; I27-R40 PolarHBondContact O-N 2.83Å; R40-E51 IonicContact NH1-OE1 3.11Å; R40-F52 CarbonylContact C-O 3.45Å; R40-F52 VanDerWaalsContact CA-O 3.24Å; R40-F52 WeakPolarHBondContact CA-O 3.36Å; R40-H53 VanDerWaalsContact CB-NE2 3.29Å; R40-H53 WeakPolarHBondContact CB-NE2 3.4Å
41R95.9Very high88.4Confident15 Ų1568.1 Ų68.16%0.05736%0.364CS..EExtended strand (participates in β ladder)trans-133139171-179.8169.2172.7-82.7-6.6109.2F24 W26 E43 E51 F52F24-R41 VanDerWaalsContact CE2-NE 3.3Å; W26-R41 HydrophobicContact CD2-CB 4Å; W26-R41 HydrophobicContact CE3-CB 3.8Å; W26-R41 HydrophobicContact CH2-CB 4.21Å; W26-R41 HydrophobicContact CZ2-CB 4.38Å; W26-R41 HydrophobicContact CZ3-CB 3.91Å; R41-E43 VanDerWaalsContact CZ-CG 3.46Å; R41-E43 IonicContact CZ-OE1 2.74Å; R41-E43 IonicContact NH1-OE1 3.67Å; R41-E43 PolarHBondContact NH1-OE1 2.78Å; R41-E43 VanDerWaalsContact NH2-CG 3.27Å; R41-E43 IonicContact NH2-OE1 3.81Å; R41-E43 PolarHBondContact NH2-OE1 2.63Å; R41-E51 WeakPolarHBondContact O-CA 3.47Å; R41-F52 PolarHBondContact N-O 2.86Å; R41-F52 PolarHBondContact O-N 3.32Å
42T95.5Very high89.2Confident52 Ų5267 Ų6732%0.31936%0.357SS..EExtended strand (participates in β ladder)trans-119.9134178.6-55.10000108.9V44 R49 R50 E51T42-V44 HydrophobicContact CG2-CG2 4.01Å; T42-R49 HydrophobicContact CG2-CG 4.24Å; T42-R50 CarbonylContact C-O 3.57Å; T42-R50 WeakPolarHBondContact CA-O 3.49Å; T42-E51 HydrophobicContact CG2-CG 4.01Å; T42-E51 PolarHBondContact OG1-OE1 2.65Å; T42-E51 VanDerWaalsContact OG1-OE1 3.13Å
43E94.2Very high90.3Very high34 Ų3457.6 Ų57.616%0.15932%0.316CS..EExtended strand (participates in β ladder)trans-116136.7169.4-64.6-180149.200109.1R41 R49 R50 F52R41-E43 VanDerWaalsContact CZ-CG 3.46Å; R41-E43 IonicContact CZ-OE1 2.74Å; R41-E43 IonicContact NH1-OE1 3.67Å; R41-E43 PolarHBondContact NH1-OE1 2.78Å; R41-E43 VanDerWaalsContact NH2-CG 3.27Å; R41-E43 IonicContact NH2-OE1 3.81Å; R41-E43 PolarHBondContact NH2-OE1 2.63Å; E43-R49 CarbonylContact O-C 3.57Å; E43-R49 VanDerWaalsContact O-CA 3.32Å; E43-R49 WeakPolarHBondContact O-CA 3.42Å; E43-R50 HydrophobicContact CB-CB 4.31Å; E43-R50 PolarHBondContact N-O 2.94Å; E43-R50 PolarHBondContact O-N 3Å; E43-R50 IonicContact OE1-NH2 2.82Å; E43-R50 IonicContact OE2-CZ 3.94Å; E43-R50 IonicContact OE2-NE 3.21Å; E43-R50 PolarHBondContact OE2-NE 2.98Å; E43-R50 IonicContact OE2-NH2 3.92Å; E43-R50 PolarHBondContact OE2-NH2 3.3Å; E43-F52 HydrophobicContact CG-CE2 4.23Å; E43-F52 WeakPolarHBondContact OE2-CE2 3.46Å
44V93.3Very high91.8Very high114 Ų11450 Ų5069%0.69128%0.275SS*.EExtended strand (participates in β ladder)trans-131.5124.1175.9-173.80000107.8T42 R49T42-V44 HydrophobicContact CG2-CG2 4.01Å; V44-R49 HydrophobicContact CG2-CB 4.5Å; V44-R49 HydrophobicContact CG2-CG 4.16Å
45C90.9Very high93.1Very high65 Ų6544.6 Ų44.644%0.43926%0.255SS..  trans-125.7-177.8167.171.80000109.7E47 M48C45-E47 PolarHBondContact O-N 2.79Å; C45-M48 PolarHBondContact N-O 2.81Å; C45-M48 PolarHBondContact SG-N 2.8Å; C45-M48 VanDerWaalsContact SG-N 3.41Å; C45-M48 PolarHBondContact SG-O 3.15Å
46A92.7Very high94.1Very high97 Ų9742.1 Ų42.180%0.80222%0.223SC*.SBendtrans-63.5-29.1-179.700000113.1P72A46-P72 WeakPolarHBondContact O-CG 3.3Å
47E89.7Confident94.5Very high155 Ų15541.7 Ų41.772%0.72422%0.22SC*.SBendtrans-99.9-22.4-170.7-62.7171.7133.900112.9C45 P72C45-E47 PolarHBondContact O-N 2.79Å; E47-P72 VanDerWaalsContact O-CD 3.24Å; E47-P72 WeakPolarHBondContact O-CD 3.36Å; E47-P72 WeakPolarHBondContact O-CG 3.38Å
48M94.1Very high94.3Very high38 Ų3846.2 Ų46.219%0.18724%0.24CC..  trans-161.3160.7-178.962.6173173.700113.4C45 R50 W70 F77C45-M48 PolarHBondContact N-O 2.81Å; C45-M48 PolarHBondContact SG-N 2.8Å; C45-M48 VanDerWaalsContact SG-N 3.41Å; C45-M48 PolarHBondContact SG-O 3.15Å; M48-R50 HydrophobicContact CE-CG 4.08Å; M48-R50 HydrophobicContact CG-CG 4.3Å; M48-R50 HydrophobicContact SD-CG 3.66Å; M48-W70 CarbonylContact C-O 3.56Å; M48-W70 VanDerWaalsContact CA-O 3.26Å; M48-W70 WeakPolarHBondContact CA-O 3.48Å; M48-W70 WeakPolarHBondContact CB-O 3.29Å; M48-F77 HydrophobicContact CB-CE2 4.23Å; M48-F77 HydrophobicContact CB-CZ 3.78Å; M48-F77 HydrophobicContact SD-CE1 4.04Å; M48-F77 HydrophobicContact SD-CZ 4.07Å
49R95.8Very high94Very high102 Ų10252.9 Ų52.939%0.38528%0.275SS..EExtended strand (participates in β ladder)trans-111.4132.5161.9171.2172.2168.5-121.13108.9T42 E43 V44 E51 A69 W70T42-R49 HydrophobicContact CG2-CG 4.24Å; E43-R49 CarbonylContact O-C 3.57Å; E43-R49 VanDerWaalsContact O-CA 3.32Å; E43-R49 WeakPolarHBondContact O-CA 3.42Å; V44-R49 HydrophobicContact CG2-CB 4.5Å; V44-R49 HydrophobicContact CG2-CG 4.16Å; R49-E51 IonicContact CZ-OE1 2.69Å; R49-E51 IonicContact NE-OE1 2.77Å; R49-E51 IonicContact NH2-OE1 3.02Å; R49-E51 PolarHBondContact NH2-OE1 3.1Å; R49-E51 IonicContact NH2-OE2 3.29Å; R49-E51 PolarHBondContact NH2-OE2 3.3Å; R49-A69 CarbonylContact O-C 3.54Å; R49-A69 VanDerWaalsContact O-CA 3.3Å; R49-A69 WeakPolarHBondContact O-CA 3.03Å; R49-W70 HydrophobicContact CG-CE3 4.31Å; R49-W70 PolarHBondContact N-O 2.64Å; R49-W70 PolarHBondContact O-N 3.13Å
50R95.1Very high93.6Very high43 Ų4359.6 Ų59.616%0.16230%0.301CS..EExtended strand (participates in β ladder)trans-118144.5172.8-59.2-169.9-71-167.1-3.4110.6T42 E43 M48 F52 N68 A69 G152T42-R50 CarbonylContact C-O 3.57Å; T42-R50 WeakPolarHBondContact CA-O 3.49Å; E43-R50 HydrophobicContact CB-CB 4.31Å; E43-R50 PolarHBondContact N-O 2.94Å; E43-R50 PolarHBondContact O-N 3Å; E43-R50 IonicContact OE1-NH2 2.82Å; E43-R50 IonicContact OE2-CZ 3.94Å; E43-R50 IonicContact OE2-NE 3.21Å; E43-R50 PolarHBondContact OE2-NE 2.98Å; E43-R50 IonicContact OE2-NH2 3.92Å; E43-R50 PolarHBondContact OE2-NH2 3.3Å; M48-R50 HydrophobicContact CE-CG 4.08Å; M48-R50 HydrophobicContact CG-CG 4.3Å; M48-R50 HydrophobicContact SD-CG 3.66Å; R50-F52 HydrophobicContact CB-CE2 3.75Å; R50-F52 HydrophobicContact CB-CZ 4.01Å; R50-N68 CarbonylContact C-O 3.51Å; R50-N68 WeakPolarHBondContact CA-O 3.39Å; R50-A69 HydrophobicContact CG-CB 3.94Å; R50-G152 PolarHBondContact NH1-O 3.31Å
51E96Very high93.4Very high14 Ų1459.2 Ų59.27%0.06530%0.302CS..EExtended strand (participates in β ladder)trans-127.6136.6169.5-69.5-164.8145.400110.6R40 R41 T42 R49 F67 N68 W70 W114R40-E51 IonicContact NH1-OE1 3.11Å; R41-E51 WeakPolarHBondContact O-CA 3.47Å; T42-E51 HydrophobicContact CG2-CG 4.01Å; T42-E51 PolarHBondContact OG1-OE1 2.65Å; T42-E51 VanDerWaalsContact OG1-OE1 3.13Å; R49-E51 IonicContact CZ-OE1 2.69Å; R49-E51 IonicContact NE-OE1 2.77Å; R49-E51 IonicContact NH2-OE1 3.02Å; R49-E51 PolarHBondContact NH2-OE1 3.1Å; R49-E51 IonicContact NH2-OE2 3.29Å; R49-E51 PolarHBondContact NH2-OE2 3.3Å; E51-F67 CarbonylContact O-C 3.59Å; E51-F67 WeakPolarHBondContact O-CA 3.36Å; E51-F67 VanDerWaalsContact O-CB 3.29Å; E51-F67 WeakPolarHBondContact O-CB 3.31Å; E51-N68 PolarHBondContact N-O 3.49Å; E51-N68 PolarHBondContact O-N 2.84Å; E51-W70 HydrophobicContact CB-CH2 4.11Å; E51-W70 HydrophobicContact CB-CZ3 3.8Å; E51-W70 HydrophobicContact CG-CH2 4.19Å; E51-W70 HydrophobicContact CG-CZ3 3.72Å; E51-W114 HydrophobicContact CB-CH2 3.86Å; E51-W114 HydrophobicContact CB-CZ3 4.13Å
52F95.9Very high93.3Very high2 Ų258.7 Ų58.71%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-124.7130.8178.5-55.9-86.4000109W26 R40 R41 E43 R50 L65 L66 F67 V151 L153W26-F52 HydrophobicContact CH2-CB 4.19Å; W26-F52 HydrophobicContact CZ3-CB 4.48Å; R40-F52 CarbonylContact C-O 3.45Å; R40-F52 VanDerWaalsContact CA-O 3.24Å; R40-F52 WeakPolarHBondContact CA-O 3.36Å; R41-F52 PolarHBondContact N-O 2.86Å; R41-F52 PolarHBondContact O-N 3.32Å; E43-F52 HydrophobicContact CG-CE2 4.23Å; E43-F52 WeakPolarHBondContact OE2-CE2 3.46Å; R50-F52 HydrophobicContact CB-CE2 3.75Å; R50-F52 HydrophobicContact CB-CZ 4.01Å; F52-L65 HydrophobicContact CB-CD1 4.42Å; F52-L66 CarbonylContact C-O 3.57Å; F52-F67 HydrophobicContact CD1-CB 3.7Å; F52-F67 HydrophobicContact CE1-CB 4.13Å; F52-F67 HydrophobicContact CG-CB 4.49Å; F52-V151 HydrophobicContact CD1-CG2 4.16Å; F52-V151 HydrophobicContact CE1-CG2 3.91Å; F52-L153 HydrophobicContact CB-CD2 4.29Å; F52-L153 HydrophobicContact CD1-CB 4.11Å; F52-L153 HydrophobicContact CD1-CD2 4.13Å; F52-L153 HydrophobicContact CD2-CD1 4.02Å; F52-L153 HydrophobicContact CE1-CB 3.85Å; F52-L153 HydrophobicContact CE2-CD1 4.11Å; F52-L153 HydrophobicContact CG-CD1 4.27Å; F52-L153 HydrophobicContact CG-CD2 4.12Å; F52-L153 HydrophobicContact CZ-CB 4.09Å; F52-L153 HydrophobicContact CZ-CD1 4.44Å
53H96.7Very high93.3Very high2 Ų256.2 Ų56.21%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-131.4123.1-172-81.6-135.8000108.3V38 I39 R40 L66 H107 F110 W114V38-H53 HydrophobicContact CG1-CB 4.07Å; I39-H53 CarbonylContact O-C 3.49Å; I39-H53 WeakPolarHBondContact O-CA 3.3Å; R40-H53 VanDerWaalsContact CB-NE2 3.29Å; R40-H53 WeakPolarHBondContact CB-NE2 3.4Å; H53-L66 HydrophobicContact CB-CB 4.05Å; H53-L66 PolarHBondContact N-O 2.85Å; H53-L66 PolarHBondContact O-N 3.11Å; H53-H107 AromaticContact CE1-NE2 3.83Å; H53-H107 AromaticContact CG-NE2 3.7Å; H53-H107 AromaticContact ND1-CD2 3.84Å; H53-H107 AromaticContact ND1-CE1 3.66Å; H53-H107 AromaticContact ND1-NE2 2.89Å; H53-H107 PolarHBondContact ND1-NE2 2.95Å; H53-F110 AromaticContact CE1-CE2 3.3Å; H53-F110 WeakPolarHBondContact CE1-CE2 3.36Å; H53-F110 AromaticContact CE1-CZ 3.68Å; H53-F110 AromaticContact ND1-CE2 3.85Å; H53-W114 HydrophobicContact CB-CZ3 4.05Å; H53-W114 AromaticContact CD2-CH2 3.45Å; H53-W114 VanDerWaalsContact CD2-CH2 3.45Å; H53-W114 WeakPolarHBondContact CD2-CH2 3.14Å; H53-W114 AromaticContact CD2-CZ3 3.46Å; H53-W114 VanDerWaalsContact CD2-CZ3 3.46Å; H53-W114 WeakPolarHBondContact CD2-CZ3 3.39Å; H53-W114 AromaticContact CE1-CH2 3.71Å; H53-W114 AromaticContact CG-CH2 3.8Å; H53-W114 AromaticContact CG-CZ3 3.63Å; H53-W114 AromaticContact ND1-CH2 3.9Å; H53-W114 AromaticContact NE2-CH2 3.44Å; H53-W114 WeakPolarHBondContact NE2-CH2 3.38Å; H53-W114 AromaticContact NE2-CZ3 3.98Å
54V96.6Very high93.3Very high0 Ų055.2 Ų55.20%028%0.281CS..EExtended strand (participates in β ladder)trans-103.3116.5171.7-178.60000108.6F7 W26 V38 I39 P63 L64 L65 V140 W143 L144F7-V54 HydrophobicContact CE2-CG1 3.87Å; F7-V54 HydrophobicContact CZ-CG1 4.09Å; W26-V54 HydrophobicContact CH2-CG2 4Å; W26-V54 HydrophobicContact CZ3-CG2 3.92Å; V38-V54 WeakPolarHBondContact CA-O 2.99Å; I39-V54 HydrophobicContact CD1-CB 4.12Å; I39-V54 HydrophobicContact CD1-CG2 4.39Å; I39-V54 HydrophobicContact CG1-CB 3.67Å; I39-V54 HydrophobicContact CG1-CG2 4.26Å; I39-V54 PolarHBondContact N-O 2.91Å; I39-V54 VanDerWaalsContact N-O 3.16Å; I39-V54 PolarHBondContact O-N 2.82Å; V54-P63 HydrophobicContact CG1-CB 4.3Å; V54-L64 WeakPolarHBondContact CA-O 3.48Å; V54-L65 HydrophobicContact CG2-CD1 3.96Å; V54-V140 HydrophobicContact CG1-CG1 4.01Å; V54-W143 HydrophobicContact CG1-CH2 4.29Å; V54-W143 HydrophobicContact CG1-CZ3 3.72Å; V54-W143 HydrophobicContact CG2-CZ3 4.12Å; V54-L144 HydrophobicContact CG2-CD1 4.4Å; V54-L144 HydrophobicContact CG2-CD2 4.03Å
55C95Very high93.3Very high1 Ų149.9 Ų49.91%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-115.1167.6-179.8-60.70000110.1V38 P63 L64 L66 P108V38-C55 HydrophobicContact CG2-CB 4.3Å; V38-C55 WeakPolarHBondContact CG2-SG 3.42Å; C55-P63 CarbonylContact O-C 3.54Å; C55-P63 WeakPolarHBondContact O-CA 3.27Å; C55-L64 PolarHBondContact N-O 2.95Å; C55-L64 PolarHBondContact O-N 3.25Å; C55-L66 HydrophobicContact CB-CD1 4.43Å; C55-P108 HydrophobicContact CB-CG 4.03Å
56Y94.1Very high93.5Very high20 Ų2046.8 Ų46.88%0.07823%0.227CC..EExtended strand (participates in β ladder)trans-102.8128.3169.4-173.3-113.4000110.5L2 A4 F7 E58 K61L2-Y56 PolarHBondContact O-OH 2.83Å; A4-Y56 HydrophobicContact CB-CD1 4Å; A4-Y56 HydrophobicContact CB-CE1 3.65Å; A4-Y56 PolarHBondContact N-OH 3.28Å; F7-Y56 HydrophobicContact CB-CD2 3.76Å; F7-Y56 HydrophobicContact CB-CE2 4.16Å; F7-Y56 HydrophobicContact CB-CG 4.35Å; F7-Y56 HydrophobicContact CD1-CD2 4.26Å; F7-Y56 HydrophobicContact CD1-CG 4.17Å; F7-Y56 AromaticContact CD2-CD2 3.88Å; F7-Y56 HydrophobicContact CD2-CD2 3.88Å; F7-Y56 HydrophobicContact CD2-CG 4.48Å; F7-Y56 AromaticContact CG-CD2 3.69Å; F7-Y56 HydrophobicContact CG-CD2 3.69Å; F7-Y56 HydrophobicContact CG-CG 4.07Å; Y56-E58 HydrophobicContact CD1-CG 4.14Å; Y56-E58 WeakPolarHBondContact CD1-OE1 3.32Å; Y56-E58 HydrophobicContact CE1-CG 4.42Å; Y56-E58 WeakPolarHBondContact CE1-OE2 3.5Å; Y56-K61 HydrophobicContact CE1-CD 4.17Å; Y56-K61 WeakPolarHBondContact OH-CA 2.9Å; Y56-K61 WeakPolarHBondContact OH-CB 3.2Å; Y56-K61 WeakPolarHBondContact OH-CD 3.29Å
57D91.6Very high93.6Very high27 Ų2742.5 Ų42.514%0.14419%0.191CC..EExtended strand (participates in β ladder)trans-86109.4170.3-169.4-56.1000109.2I59 Y60 K61 V62D57-I59 VanDerWaalsContact C-N 3.26Å; D57-I59 PolarHBondContact O-N 2.99Å; D57-I59 WeakPolarHBondContact OD1-CA 3.19Å; D57-I59 WeakPolarHBondContact OD1-CB 2.91Å; D57-I59 PolarHBondContact OD1-N 3.18Å; D57-Y60 WeakPolarHBondContact OD1-CD2 3.28Å; D57-Y60 PolarHBondContact OD1-N 3.24Å; D57-K61 VanDerWaalsContact O-CA 3.24Å; D57-K61 WeakPolarHBondContact O-CA 3.33Å; D57-K61 PolarHBondContact O-N 2.86Å; D57-V62 HydrophobicContact CB-CG2 4.17Å; D57-V62 PolarHBondContact N-O 3.21Å; D57-V62 PolarHBondContact O-N 2.99Å
58E88.8Confident93.9Very high107 Ų10735.3 Ų35.350%0.516%0.157SC..THydrogen-bonded Turntrans-68.7-22.5-177.3-75.8-67.5173.900114Y56 K61Y56-E58 HydrophobicContact CD1-CG 4.14Å; Y56-E58 WeakPolarHBondContact CD1-OE1 3.32Å; Y56-E58 HydrophobicContact CE1-CG 4.42Å; Y56-E58 WeakPolarHBondContact CE1-OE2 3.5Å; E58-K61 WeakPolarHBondContact O-CD 3.46Å; E58-K61 WeakPolarHBondContact O-CE 3.37Å; E58-K61 PolarHBondContact O-NZ 2.81Å; E58-K61 IonicContact OE2-NZ 3.87Å; E58-K61 PolarHBondContact OE2-NZ 2.99Å
59I88.6Confident94Very high142 Ų14233.8 Ų33.873%0.72815%0.151SC*.THydrogen-bonded Turntrans-84.1-51.1-177.8-60.8-179.7000109D57D57-I59 VanDerWaalsContact C-N 3.26Å; D57-I59 PolarHBondContact O-N 2.99Å; D57-I59 WeakPolarHBondContact OD1-CA 3.19Å; D57-I59 WeakPolarHBondContact OD1-CB 2.91Å; D57-I59 PolarHBondContact OD1-N 3.18Å
60Y89.2Confident94Very high141 Ų14131.1 Ų31.155%0.55314%0.141SC*.THydrogen-bonded Turntrans-87-8.3-177.6-64.5-72.9000113.4D57 V62 P119D57-Y60 WeakPolarHBondContact OD1-CD2 3.28Å; D57-Y60 PolarHBondContact OD1-N 3.24Å; Y60-V62 VanDerWaalsContact C-N 3.32Å; Y60-V62 WeakPolarHBondContact O-CG1 3.47Å; Y60-V62 PolarHBondContact O-N 3.5Å; Y60-P119 HydrophobicContact CD2-CG 4.41Å
61K92.2Very high94.1Very high72 Ų7231.4 Ų31.431%0.31314%0.144SC..THydrogen-bonded Turntrans55.945.6178.2-55.7-65.9179.4-166.90112.4M1 Y56 D57 E58M1-K61 HydrophobicContact CB-CB 4.08Å; M1-K61 HydrophobicContact CG-CB 4.48Å; M1-K61 HydrophobicContact SD-CB 4.02Å; M1-K61 HydrophobicContact SD-CG 4.19Å; Y56-K61 HydrophobicContact CE1-CD 4.17Å; Y56-K61 WeakPolarHBondContact OH-CA 2.9Å; Y56-K61 WeakPolarHBondContact OH-CB 3.2Å; Y56-K61 WeakPolarHBondContact OH-CD 3.29Å; D57-K61 VanDerWaalsContact O-CA 3.24Å; D57-K61 WeakPolarHBondContact O-CA 3.33Å; D57-K61 PolarHBondContact O-N 2.86Å; E58-K61 WeakPolarHBondContact O-CD 3.46Å; E58-K61 WeakPolarHBondContact O-CE 3.37Å; E58-K61 PolarHBondContact O-NZ 2.81Å; E58-K61 IonicContact OE2-NZ 3.87Å; E58-K61 PolarHBondContact OE2-NZ 2.99Å
62V93.5Very high94.1Very high4 Ų435.4 Ų35.42%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-138.9155.1-176.5-69.80000111.4D57 Y60 P119 T122 E123 L126D57-V62 HydrophobicContact CB-CG2 4.17Å; D57-V62 PolarHBondContact N-O 3.21Å; D57-V62 PolarHBondContact O-N 2.99Å; Y60-V62 VanDerWaalsContact C-N 3.32Å; Y60-V62 WeakPolarHBondContact O-CG1 3.47Å; Y60-V62 PolarHBondContact O-N 3.5Å; V62-P119 HydrophobicContact CG2-CB 4.1Å; V62-T122 HydrophobicContact CB-CG2 3.64Å; V62-T122 HydrophobicContact CG1-CG2 3.97Å; V62-T122 HydrophobicContact CG2-CG2 4.28Å; V62-E123 HydrophobicContact CG1-CB 4.13Å; V62-L126 HydrophobicContact CG1-CD1 4.22Å
63P95.2Very high94.1Very high1 Ų141.3 Ų41.31%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-68.3148.6168.231.2-34.9000111.1F7 V54 C55 T122 L126 W143F7-P63 HydrophobicContact CD2-CB 4.22Å; F7-P63 HydrophobicContact CE2-CB 3.93Å; V54-P63 HydrophobicContact CG1-CB 4.3Å; C55-P63 CarbonylContact O-C 3.54Å; C55-P63 WeakPolarHBondContact O-CA 3.27Å; P63-T122 HydrophobicContact CG-CG2 3.93Å; P63-L126 HydrophobicContact CG-CD1 4.39Å; P63-W143 HydrophobicContact CB-CD2 4.14Å; P63-W143 HydrophobicContact CB-CE3 3.88Å; P63-W143 HydrophobicContact CB-CH2 3.85Å; P63-W143 HydrophobicContact CB-CZ2 4.15Å; P63-W143 HydrophobicContact CB-CZ3 3.75Å; P63-W143 HydrophobicContact CG-CD2 3.58Å; P63-W143 HydrophobicContact CG-CE3 3.8Å; P63-W143 HydrophobicContact CG-CG 3.98Å; P63-W143 HydrophobicContact CG-CH2 4.23Å; P63-W143 HydrophobicContact CG-CZ2 4.07Å; P63-W143 HydrophobicContact CG-CZ3 4.14Å
64L93.8Very high94Very high13 Ų1343.6 Ų43.67%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-126.9126.2178.2-177.467.9000109.3V54 C55 L66 C116 P119V54-L64 WeakPolarHBondContact CA-O 3.48Å; C55-L64 PolarHBondContact N-O 2.95Å; C55-L64 PolarHBondContact O-N 3.25Å; L64-L66 HydrophobicContact CD2-CD1 4.34Å; L64-L66 HydrophobicContact CD2-CD2 3.97Å; L64-L66 HydrophobicContact CD2-CG 4.05Å; L64-L66 HydrophobicContact CG-CD2 4.35Å; L64-L66 HydrophobicContact CG-CG 4.21Å; L64-C116 HydrophobicContact CD1-CB 4.12Å; L64-P119 HydrophobicContact CD1-CB 4.21Å; L64-P119 HydrophobicContact CD1-CG 4.33Å
65L94.4Very high94Very high1 Ų149.8 Ų49.81%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-95.6106.7174.9-178.558.8000108.5F52 V54 C116 L117 W143 L144 V147 V151F52-L65 HydrophobicContact CB-CD1 4.42Å; V54-L65 HydrophobicContact CG2-CD1 3.96Å; L65-C116 VanDerWaalsContact O-CA 3.25Å; L65-C116 WeakPolarHBondContact O-CA 3.42Å; L65-C116 VanDerWaalsContact O-CB 3.3Å; L65-C116 WeakPolarHBondContact O-CB 3.38Å; L65-L117 HydrophobicContact CD2-CD1 4.3Å; L65-L117 PolarHBondContact O-N 2.9Å; L65-W143 HydrophobicContact CB-CH2 3.63Å; L65-W143 HydrophobicContact CB-CZ2 4.16Å; L65-L144 HydrophobicContact CD1-CD2 4.46Å; L65-V147 HydrophobicContact CD2-CG2 4.15Å; L65-V151 HydrophobicContact CD2-CG2 3.62Å
66L95.1Very high94Very high0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-97.1145.1171.4-65.6166.5000109F52 H53 C55 L64 H107 P108 W114 Y115 C116F52-L66 CarbonylContact C-O 3.57Å; H53-L66 HydrophobicContact CB-CB 4.05Å; H53-L66 PolarHBondContact N-O 2.85Å; H53-L66 PolarHBondContact O-N 3.11Å; C55-L66 HydrophobicContact CB-CD1 4.43Å; L64-L66 HydrophobicContact CD2-CD1 4.34Å; L64-L66 HydrophobicContact CD2-CD2 3.97Å; L64-L66 HydrophobicContact CD2-CG 4.05Å; L64-L66 HydrophobicContact CG-CD2 4.35Å; L64-L66 HydrophobicContact CG-CG 4.21Å; L66-H107 HydrophobicContact CD1-CB 4.49Å; L66-H107 VanDerWaalsContact CD1-CD2 3.43Å; L66-H107 WeakPolarHBondContact CD1-CD2 3.31Å; L66-P108 HydrophobicContact CD1-CG 4.45Å; L66-W114 HydrophobicContact CB-CB 4.33Å; L66-W114 HydrophobicContact CB-CE3 3.9Å; L66-W114 HydrophobicContact CD2-CB 4.06Å; L66-Y115 CarbonylContact C-O 3.53Å; L66-Y115 VanDerWaalsContact CA-O 3.27Å; L66-Y115 WeakPolarHBondContact CA-O 3.09Å; L66-C116 HydrophobicContact CD2-CB 3.53Å; L66-C116 HydrophobicContact CG-CB 4.45Å
67F95.1Very high93.9Very high7 Ų752.5 Ų52.53%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-153.3159.6174.966.8-78.7000112.2E51 F52 V82 I102 Y115 V151E51-F67 CarbonylContact O-C 3.59Å; E51-F67 WeakPolarHBondContact O-CA 3.36Å; E51-F67 VanDerWaalsContact O-CB 3.29Å; E51-F67 WeakPolarHBondContact O-CB 3.31Å; F52-F67 HydrophobicContact CD1-CB 3.7Å; F52-F67 HydrophobicContact CE1-CB 4.13Å; F52-F67 HydrophobicContact CG-CB 4.49Å; F67-V82 HydrophobicContact CE2-CG1 3.56Å; F67-V82 HydrophobicContact CZ-CG1 3.83Å; F67-I102 HydrophobicContact CE1-CG2 4.23Å; F67-I102 HydrophobicContact CZ-CD1 4.09Å; F67-I102 HydrophobicContact CZ-CG1 4.18Å; F67-I102 HydrophobicContact CZ-CG2 3.7Å; F67-Y115 HydrophobicContact CE2-CG 4.49Å; F67-Y115 HydrophobicContact CZ-CG 4.48Å; F67-Y115 PolarHBondContact N-O 3.27Å; F67-Y115 WeakPolarHBondContact O-CB 3.36Å; F67-Y115 PolarHBondContact O-N 2.89Å; F67-V151 HydrophobicContact CD1-CB 4.25Å; F67-V151 HydrophobicContact CD1-CG1 3.88Å; F67-V151 HydrophobicContact CE1-CB 4.1Å; F67-V151 HydrophobicContact CE1-CG1 3.4Å; F67-V151 VanDerWaalsContact CE1-CG1 3.4Å; F67-V151 HydrophobicContact CE2-CB 4.38Å; F67-V151 HydrophobicContact CE2-CG1 4.41Å; F67-V151 HydrophobicContact CG-CB 4.47Å; F67-V151 HydrophobicContact CZ-CB 4.15Å; F67-V151 HydrophobicContact CZ-CG1 3.7Å
68N95.7Very high93.8Very high5 Ų553.6 Ų53.63%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-146.9154.3170.8-90.8-26.6000109.5R50 E51 W70 L76 P113 W114 Y115R50-N68 CarbonylContact C-O 3.51Å; R50-N68 WeakPolarHBondContact CA-O 3.39Å; E51-N68 PolarHBondContact N-O 3.49Å; E51-N68 PolarHBondContact O-N 2.84Å; N68-W70 HydrophobicContact CB-CE3 4.35Å; N68-W70 HydrophobicContact CB-CH2 3.27Å; N68-W70 HydrophobicContact CB-CZ2 3.54Å; N68-W70 HydrophobicContact CB-CZ3 3.69Å; N68-W70 WeakPolarHBondContact O-CZ3 3.26Å; N68-L76 HydrophobicContact CB-CD1 3.87Å; N68-P113 PolarHBondContact ND2-O 2.74Å; N68-W114 HydrophobicContact CB-CD2 4.43Å; N68-W114 HydrophobicContact CB-CE3 4.28Å; N68-W114 HydrophobicContact CB-CZ3 4.42Å; N68-W114 VanDerWaalsContact ND2-CD2 3.35Å; N68-W114 VanDerWaalsContact ND2-CG 3.34Å; N68-Y115 WeakPolarHBondContact OD1-CD2 3.39Å
69A95.3Very high93.6Very high6 Ų652.2 Ų52.25%0.0527%0.273CS..EExtended strand (participates in β ladder)trans-131.1143.3173.900000109.5R49 R50 L76 F77R49-A69 CarbonylContact O-C 3.54Å; R49-A69 VanDerWaalsContact O-CA 3.3Å; R49-A69 WeakPolarHBondContact O-CA 3.03Å; R50-A69 HydrophobicContact CG-CB 3.94Å; A69-L76 WeakPolarHBondContact O-CD1 3.4Å; A69-F77 HydrophobicContact CB-CB 4.06Å; A69-F77 HydrophobicContact CB-CD1 3.58Å; A69-F77 HydrophobicContact CB-CD2 4.17Å; A69-F77 HydrophobicContact CB-CE1 4.04Å; A69-F77 HydrophobicContact CB-CG 3.66Å; A69-F77 WeakPolarHBondContact O-CB 3.21Å; A69-F77 PolarHBondContact O-N 3.08Å
70W96.6Very high93.5Very high45 Ų4553.3 Ų53.317%0.1728%0.276CS..EExtended strand (participates in β ladder)trans-130.5142.3-180-60.5-95.8000110.4M48 R49 E51 N68 K75 L76 W114M48-W70 CarbonylContact C-O 3.56Å; M48-W70 VanDerWaalsContact CA-O 3.26Å; M48-W70 WeakPolarHBondContact CA-O 3.48Å; M48-W70 WeakPolarHBondContact CB-O 3.29Å; R49-W70 HydrophobicContact CG-CE3 4.31Å; R49-W70 PolarHBondContact N-O 2.64Å; R49-W70 PolarHBondContact O-N 3.13Å; E51-W70 HydrophobicContact CB-CH2 4.11Å; E51-W70 HydrophobicContact CB-CZ3 3.8Å; E51-W70 HydrophobicContact CG-CH2 4.19Å; E51-W70 HydrophobicContact CG-CZ3 3.72Å; N68-W70 HydrophobicContact CB-CE3 4.35Å; N68-W70 HydrophobicContact CB-CH2 3.27Å; N68-W70 HydrophobicContact CB-CZ2 3.54Å; N68-W70 HydrophobicContact CB-CZ3 3.69Å; N68-W70 WeakPolarHBondContact O-CZ3 3.26Å; W70-K75 CarbonylContact C-O 3.55Å; W70-K75 VanDerWaalsContact CA-O 3.27Å; W70-K75 WeakPolarHBondContact CA-O 3.26Å; W70-L76 HydrophobicContact CD2-CD1 4.2Å; W70-L76 HydrophobicContact CG-CD1 4.31Å; W70-L76 HydrophobicContact CZ2-CD1 4.15Å; W70-W114 HydrophobicContact CH2-CH2 4.39Å; W70-W114 HydrophobicContact CH2-CZ2 4.45Å
71H96.9Very high93.5Very high50 Ų5049.3 Ų49.323%0.23126%0.262CS..  trans-63.1162.5166-73.5-72.8000110.7D73 G74 K75 F77 E81H71-D73 WeakPolarHBondContact CB-OD1 3.44Å; H71-D73 PolarHBondContact O-N 3.38Å; H71-D73 VanDerWaalsContact O-N 3.14Å; H71-G74 WeakPolarHBondContact O-CA 3.1Å; H71-G74 PolarHBondContact O-N 2.96Å; H71-K75 HydrophobicContact CB-CB 4.33Å; H71-K75 PolarHBondContact N-O 2.96Å; H71-F77 HydrophobicContact CB-CE2 4.38Å; H71-F77 AromaticContact CD2-CD2 3.56Å; H71-F77 AromaticContact CD2-CE2 3.61Å; H71-F77 AromaticContact CE1-CE2 3.49Å; H71-F77 VanDerWaalsContact CE1-CE2 3.49Å; H71-F77 WeakPolarHBondContact CE1-CE2 3.3Å; H71-F77 AromaticContact CG-CE2 3.63Å; H71-F77 AromaticContact ND1-CE2 3.58Å; H71-F77 AromaticContact NE2-CD2 3.54Å; H71-F77 AromaticContact NE2-CE2 3.52Å; H71-E81 IonicContact CD2-OE1 3.79Å; H71-E81 IonicContact CE1-OE1 3.52Å; H71-E81 PolarHBondContact CE1-OE1 3.5Å; H71-E81 VanDerWaalsContact CE1-OE1 3.22Å; H71-E81 IonicContact NE2-OE1 2.64Å; H71-E81 PolarHBondContact NE2-OE1 2.87Å; H71-E81 IonicContact NE2-OE2 3.49Å
72P95.5Very high93.2Very high98 Ų9845.9 Ų45.964%0.63625%0.247SC*.THydrogen-bonded Turntrans-61.8-23.4179.4-23.436.8000113.2A46 E47 G74A46-P72 WeakPolarHBondContact O-CG 3.3Å; E47-P72 VanDerWaalsContact O-CD 3.24Å; E47-P72 WeakPolarHBondContact O-CD 3.36Å; E47-P72 WeakPolarHBondContact O-CG 3.38Å; P72-G74 PolarHBondContact O-N 2.88Å
73D95.8Very high92.6Very high126 Ų12649.8 Ų49.867%0.67426%0.262SS*.THydrogen-bonded Turntrans-79.3-2.7174.369.8-1.4000113.7H71 K75H71-D73 WeakPolarHBondContact CB-OD1 3.44Å; H71-D73 PolarHBondContact O-N 3.38Å; H71-D73 VanDerWaalsContact O-N 3.14Å; D73-K75 WeakPolarHBondContact OD1-CB 3.48Å; D73-K75 PolarHBondContact OD1-N 3.28Å
74G94.9Very high92Very high50 Ų5053.9 Ų53.952%0.51530%0.295SS..SBendtrans86.91.3-178.700000114.8H71 P72 L76H71-G74 WeakPolarHBondContact O-CA 3.1Å; H71-G74 PolarHBondContact O-N 2.96Å; P72-G74 PolarHBondContact O-N 2.88Å; G74-L76 PolarHBondContact O-N 3Å
75K96.1Very high91.2Very high129 Ų12955.3 Ų55.356%0.56130%0.304SS*.PPolyproline II helixtrans-68.8130.5174.4-174.6-176174.2-1690110.2W70 H71 D73W70-K75 CarbonylContact C-O 3.55Å; W70-K75 VanDerWaalsContact CA-O 3.27Å; W70-K75 WeakPolarHBondContact CA-O 3.26Å; H71-K75 HydrophobicContact CB-CB 4.33Å; H71-K75 PolarHBondContact N-O 2.96Å; D73-K75 WeakPolarHBondContact OD1-CB 3.48Å; D73-K75 PolarHBondContact OD1-N 3.28Å
76L95Very high90.3Very high61 Ų6155.8 Ų55.832%0.31931%0.307SS..BIsolated β-bridgetrans-66.3139.6175.6-170.974.2000110.4N68 A69 W70 G74 S78N68-L76 HydrophobicContact CB-CD1 3.87Å; A69-L76 WeakPolarHBondContact O-CD1 3.4Å; W70-L76 HydrophobicContact CD2-CD1 4.2Å; W70-L76 HydrophobicContact CG-CD1 4.31Å; W70-L76 HydrophobicContact CZ2-CD1 4.15Å; G74-L76 PolarHBondContact O-N 3Å; L76-S78 PolarHBondContact O-N 3.18Å
77F93.2Very high89.1Confident18 Ų1858.6 Ų58.68%0.07933%0.327CS..PPolyproline II helixtrans-61.5133.7170.6-81.2-151.9000110.3M48 A69 H71 E81 V82 T85 Y115M48-F77 HydrophobicContact CB-CE2 4.23Å; M48-F77 HydrophobicContact CB-CZ 3.78Å; M48-F77 HydrophobicContact SD-CE1 4.04Å; M48-F77 HydrophobicContact SD-CZ 4.07Å; A69-F77 HydrophobicContact CB-CB 4.06Å; A69-F77 HydrophobicContact CB-CD1 3.58Å; A69-F77 HydrophobicContact CB-CD2 4.17Å; A69-F77 HydrophobicContact CB-CE1 4.04Å; A69-F77 HydrophobicContact CB-CG 3.66Å; A69-F77 WeakPolarHBondContact O-CB 3.21Å; A69-F77 PolarHBondContact O-N 3.08Å; H71-F77 HydrophobicContact CB-CE2 4.38Å; H71-F77 AromaticContact CD2-CD2 3.56Å; H71-F77 AromaticContact CD2-CE2 3.61Å; H71-F77 AromaticContact CE1-CE2 3.49Å; H71-F77 VanDerWaalsContact CE1-CE2 3.49Å; H71-F77 WeakPolarHBondContact CE1-CE2 3.3Å; H71-F77 AromaticContact CG-CE2 3.63Å; H71-F77 AromaticContact ND1-CE2 3.58Å; H71-F77 AromaticContact NE2-CD2 3.54Å; H71-F77 AromaticContact NE2-CE2 3.52Å; F77-E81 HydrophobicContact CB-CB 3.98Å; F77-E81 HydrophobicContact CD1-CB 3.78Å; F77-E81 HydrophobicContact CE1-CB 4.47Å; F77-E81 HydrophobicContact CG-CB 3.99Å; F77-V82 HydrophobicContact CB-CG2 3.98Å; F77-T85 HydrophobicContact CE1-CG2 4.24Å; F77-Y115 WeakPolarHBondContact O-CE2 3.37Å; F77-Y115 PolarHBondContact O-OH 3.37Å
78S89.6Confident88Confident49 Ų4966.3 Ų66.334%0.34336%0.363SS..PPolyproline II helixtrans-64.5163.3166.265.10000110.9L76 E80 E81 V82 Y115L76-S78 PolarHBondContact O-N 3.18Å; S78-E80 PolarHBondContact O-N 3Å; S78-E81 VanDerWaalsContact CB-OE2 3.29Å; S78-E81 WeakPolarHBondContact CB-OE2 3.3Å; S78-E81 PolarHBondContact N-OE2 3.04Å; S78-E81 PolarHBondContact O-N 3.4Å; S78-E81 WeakPolarHBondContact OG-CG 3.33Å; S78-E81 PolarHBondContact OG-N 2.87Å; S78-E81 PolarHBondContact OG-OE2 3.44Å; S78-V82 WeakPolarHBondContact O-CG2 3.35Å; S78-V82 PolarHBondContact O-N 3.27Å; S78-Y115 VanDerWaalsContact C-OH 3.27Å
79L84.6Confident86.8Confident78 Ų7869.6 Ų69.641%0.40839%0.391SS..Hα-helixtrans-58.9-38176.3-177.859.9000111.1V82 W83 I102 Y115L79-V82 WeakPolarHBondContact O-CB 3.42Å; L79-V82 PolarHBondContact O-N 3.44Å; L79-W83 VanDerWaalsContact CD1-NE1 3.34Å; L79-W83 PolarHBondContact O-N 2.89Å; L79-I102 HydrophobicContact CD1-CG2 4.07Å; L79-Y115 HydrophobicContact CB-CE1 4.16Å; L79-Y115 HydrophobicContact CD1-CD1 4.06Å; L79-Y115 HydrophobicContact CD1-CE1 3.78Å; L79-Y115 PolarHBondContact N-OH 3.28Å; L79-Y115 VanDerWaalsContact N-OH 3.13Å
80E85.5Confident85.7Confident165 Ų16570.9 Ų70.977%0.77140%0.396SS*.Hα-helixtrans-61.4-46.5176-175.6177-177.200111.9S78 V82 W83 A84S78-E80 PolarHBondContact O-N 3Å; E80-V82 VanDerWaalsContact C-N 3.32Å; E80-V82 PolarHBondContact O-N 3.11Å; E80-W83 PolarHBondContact O-N 3.28Å; E80-A84 PolarHBondContact O-N 2.8Å
81E89.6Confident84.4Confident57 Ų5770.2 Ų70.227%0.26640%0.4SS..Hα-helixtrans-63.6-38.6176-70.9162.8127.600111.6H71 F77 S78 A84 T85H71-E81 IonicContact CD2-OE1 3.79Å; H71-E81 IonicContact CE1-OE1 3.52Å; H71-E81 PolarHBondContact CE1-OE1 3.5Å; H71-E81 VanDerWaalsContact CE1-OE1 3.22Å; H71-E81 IonicContact NE2-OE1 2.64Å; H71-E81 PolarHBondContact NE2-OE1 2.87Å; H71-E81 IonicContact NE2-OE2 3.49Å; F77-E81 HydrophobicContact CB-CB 3.98Å; F77-E81 HydrophobicContact CD1-CB 3.78Å; F77-E81 HydrophobicContact CE1-CB 4.47Å; F77-E81 HydrophobicContact CG-CB 3.99Å; S78-E81 VanDerWaalsContact CB-OE2 3.29Å; S78-E81 WeakPolarHBondContact CB-OE2 3.3Å; S78-E81 PolarHBondContact N-OE2 3.04Å; S78-E81 PolarHBondContact O-N 3.4Å; S78-E81 WeakPolarHBondContact OG-CG 3.33Å; S78-E81 PolarHBondContact OG-N 2.87Å; S78-E81 PolarHBondContact OG-OE2 3.44Å; E81-A84 WeakPolarHBondContact O-CB 3.45Å; E81-A84 PolarHBondContact O-N 2.76Å; E81-T85 WeakPolarHBondContact O-CG2 3.46Å; E81-T85 PolarHBondContact O-N 3.25Å
82V85.9Confident83.2Confident1 Ų170.8 Ų70.81%0.00641%0.41CS..Hα-helixtrans-61.3-48.5173.9164.70000111.1F67 F77 S78 L79 E80 A84 T85 I102 Y115F67-V82 HydrophobicContact CE2-CG1 3.56Å; F67-V82 HydrophobicContact CZ-CG1 3.83Å; F77-V82 HydrophobicContact CB-CG2 3.98Å; S78-V82 WeakPolarHBondContact O-CG2 3.35Å; S78-V82 PolarHBondContact O-N 3.27Å; L79-V82 WeakPolarHBondContact O-CB 3.42Å; L79-V82 PolarHBondContact O-N 3.44Å; E80-V82 VanDerWaalsContact C-N 3.32Å; E80-V82 PolarHBondContact O-N 3.11Å; V82-A84 PolarHBondContact O-N 2.8Å; V82-T85 PolarHBondContact O-N 3.35Å; V82-T85 PolarHBondContact O-OG1 3.2Å; V82-I102 HydrophobicContact CG1-CD1 3.95Å; V82-I102 HydrophobicContact CG1-CG2 4.07Å; V82-Y115 HydrophobicContact CG2-CD2 3.76Å; V82-Y115 HydrophobicContact CG2-CE2 3.53Å; V82-Y115 HydrophobicContact CG2-CG 4.39Å
83W81Confident82Confident86 Ų8671.1 Ų71.133%0.32640%0.399SS..Hα-helixtrans-61-31.7176.5-78.1113.3000112.6L79 E80 T85 V86 L94 I102L79-W83 VanDerWaalsContact CD1-NE1 3.34Å; L79-W83 PolarHBondContact O-N 2.89Å; E80-W83 PolarHBondContact O-N 3.28Å; W83-T85 PolarHBondContact O-N 2.86Å; W83-V86 HydrophobicContact CE3-CG2 4.06Å; W83-V86 WeakPolarHBondContact O-CB 3.25Å; W83-V86 PolarHBondContact O-N 2.86Å; W83-V86 VanDerWaalsContact O-N 3.16Å; W83-L94 HydrophobicContact CE3-CD1 4.47Å; W83-L94 HydrophobicContact CH2-CD1 4.32Å; W83-L94 HydrophobicContact CZ3-CB 4.35Å; W83-L94 HydrophobicContact CZ3-CD1 3.56Å; W83-L94 HydrophobicContact CZ3-CG 4.49Å; W83-I102 HydrophobicContact CD2-CD1 4.24Å; W83-I102 HydrophobicContact CE3-CD1 4.15Å; W83-I102 HydrophobicContact CH2-CB 4.23Å; W83-I102 HydrophobicContact CH2-CD1 4.26Å; W83-I102 HydrophobicContact CH2-CG1 4.18Å; W83-I102 HydrophobicContact CZ2-CB 3.77Å; W83-I102 HydrophobicContact CZ2-CD1 4.33Å; W83-I102 HydrophobicContact CZ2-CG1 4.2Å; W83-I102 HydrophobicContact CZ3-CD1 4.19Å
84A82.1Confident80.7Confident86 Ų8665.6 Ų65.671%0.71137%0.369SS*.Hα-helixtrans-68.4-19.1174.700000113.6E80 E81 V82E80-A84 PolarHBondContact O-N 2.8Å; E81-A84 WeakPolarHBondContact O-CB 3.45Å; E81-A84 PolarHBondContact O-N 2.76Å; V82-A84 PolarHBondContact O-N 2.8Å
85T77.6Confident79.2Confident43 Ų4371.1 Ų71.126%0.26438%0.379SS..THydrogen-bonded Turntrans-84.4-11.9173720000113.5F77 E81 V82 W83F77-T85 HydrophobicContact CE1-CG2 4.24Å; E81-T85 WeakPolarHBondContact O-CG2 3.46Å; E81-T85 PolarHBondContact O-N 3.25Å; V82-T85 PolarHBondContact O-N 3.35Å; V82-T85 PolarHBondContact O-OG1 3.2Å; W83-T85 PolarHBondContact O-N 2.86Å
86V76.1Confident77.6Confident11 Ų1174 Ų747%0.06739%0.392CS..SBendtrans-75.3127175.4-177.80000108.6W83 E90 L94 I102 V150W83-V86 HydrophobicContact CE3-CG2 4.06Å; W83-V86 WeakPolarHBondContact O-CB 3.25Å; W83-V86 PolarHBondContact O-N 2.86Å; W83-V86 VanDerWaalsContact O-N 3.16Å; V86-E90 HydrophobicContact CG1-CB 3.55Å; V86-L94 HydrophobicContact CG1-CD1 3.66Å; V86-I102 HydrophobicContact CG2-CD1 3.72Å; V86-V150 WeakPolarHBondContact CG1-O 3.39Å; V86-V150 WeakPolarHBondContact CG2-O 3.41Å
87S69.7Low76.1Confident59 Ų5973.3 Ų73.341%0.41339%0.388SS..  trans-57.7151.5-178.674.80000112.1A89 E90 A91S87-A89 PolarHBondContact O-N 3.3Å; S87-E90 CarbonylContact O-C 3.48Å; S87-E90 PolarHBondContact O-N 2.7Å; S87-E90 WeakPolarHBondContact OG-CB 3.44Å; S87-E90 WeakPolarHBondContact OG-CG 3.46Å; S87-E90 PolarHBondContact OG-N 2.82Å; S87-A91 WeakPolarHBondContact O-CB 3.45Å; S87-A91 PolarHBondContact O-N 2.64Å
88E71.7Confident74.3Confident170 Ų17075.7 Ų75.779%0.79441%0.406SS*.Hα-helixtrans-59-33.4178.5-70.3-175.3176.600113.3A91 S92E88-A91 PolarHBondContact O-N 2.85Å; E88-S92 WeakPolarHBondContact O-CB 3.43Å; E88-S92 PolarHBondContact O-N 3.2Å; E88-S92 PolarHBondContact O-OG 2.85Å
89A70.2Confident72.5Confident74 Ų7481.4 Ų81.461%0.61242%0.42SS*.Hα-helixtrans-63.1-45.5175.500000110.8S87 R93S87-A89 PolarHBondContact O-N 3.3Å; A89-R93 PolarHBondContact O-N 3.38Å; A89-R93 VanDerWaalsContact O-N 3.16Å
90E71.5Confident71.3Confident32 Ų3279 Ų7915%0.1541%0.408CS..Hα-helixtrans-68.3-45.6174.2-69.1-57.3135.300110.9V86 S87 S92 R93 L94V86-E90 HydrophobicContact CG1-CB 3.55Å; S87-E90 CarbonylContact O-C 3.48Å; S87-E90 PolarHBondContact O-N 2.7Å; S87-E90 WeakPolarHBondContact OG-CB 3.44Å; S87-E90 WeakPolarHBondContact OG-CG 3.46Å; S87-E90 PolarHBondContact OG-N 2.82Å; E90-S92 PolarHBondContact O-N 3.26Å; E90-R93 CarbonylContact O-C 3.6Å; E90-R93 WeakPolarHBondContact O-CA 3.24Å; E90-R93 WeakPolarHBondContact O-CB 3.43Å; E90-R93 PolarHBondContact O-N 3.16Å; E90-R93 IonicContact OE1-NE 3.84Å; E90-R93 IonicContact OE2-CZ 2.69Å; E90-R93 IonicContact OE2-NE 3.22Å; E90-R93 PolarHBondContact OE2-NE 3.32Å; E90-R93 IonicContact OE2-NH2 3.83Å; E90-R93 PolarHBondContact OE2-NH2 2.98Å; E90-L94 HydrophobicContact CB-CD1 4.38Å; E90-L94 WeakPolarHBondContact O-CB 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.24Å; E90-L94 PolarHBondContact O-N 3.09Å
91A70.1Confident70.5Confident31 Ų3175 Ų7526%0.25639%0.39SS..Hα-helixtrans-56-39177.100000112.1S87 E88 L94 K95S87-A91 WeakPolarHBondContact O-CB 3.45Å; S87-A91 PolarHBondContact O-N 2.64Å; E88-A91 PolarHBondContact O-N 2.85Å; A91-L94 PolarHBondContact O-N 2.93Å; A91-K95 VanDerWaalsContact O-CG 3.29Å; A91-K95 WeakPolarHBondContact O-CG 3.3Å; A91-K95 PolarHBondContact O-N 3.4Å
92S72Confident70.2Confident63 Ų6372.6 Ų72.644%0.44138%0.379SS..Hα-helixtrans-65.5-41.6174.7-60.60000112E88 E90 F96E88-S92 WeakPolarHBondContact O-CB 3.43Å; E88-S92 PolarHBondContact O-N 3.2Å; E88-S92 PolarHBondContact O-OG 2.85Å; E90-S92 PolarHBondContact O-N 3.26Å; S92-F96 VanDerWaalsContact O-CD2 3.22Å; S92-F96 WeakPolarHBondContact O-CD2 3.44Å
93R69.3Low70.2Confident105 Ų10574.9 Ų74.940%0.39639%0.393SS..Hα-helixtrans-64.2-42.6173.7-167.4-177.366.4712.7111.7A89 E90 F96 D97A89-R93 PolarHBondContact O-N 3.38Å; A89-R93 VanDerWaalsContact O-N 3.16Å; E90-R93 CarbonylContact O-C 3.6Å; E90-R93 WeakPolarHBondContact O-CA 3.24Å; E90-R93 WeakPolarHBondContact O-CB 3.43Å; E90-R93 PolarHBondContact O-N 3.16Å; E90-R93 IonicContact OE1-NE 3.84Å; E90-R93 IonicContact OE2-CZ 2.69Å; E90-R93 IonicContact OE2-NE 3.22Å; E90-R93 PolarHBondContact OE2-NE 3.32Å; E90-R93 IonicContact OE2-NH2 3.83Å; E90-R93 PolarHBondContact OE2-NH2 2.98Å; R93-F96 PolarHBondContact O-N 3.2Å; R93-D97 PolarHBondContact O-N 2.88Å
94L68.2Low70.6Confident9 Ų975.7 Ų75.75%0.04740%0.401CS..Hα-helixtrans-72.6-28.4-178.1-62.5172.5000112.4W83 V86 E90 A91 F96 D97 T100 V150W83-L94 HydrophobicContact CE3-CD1 4.47Å; W83-L94 HydrophobicContact CH2-CD1 4.32Å; W83-L94 HydrophobicContact CZ3-CB 4.35Å; W83-L94 HydrophobicContact CZ3-CD1 3.56Å; W83-L94 HydrophobicContact CZ3-CG 4.49Å; V86-L94 HydrophobicContact CG1-CD1 3.66Å; E90-L94 HydrophobicContact CB-CD1 4.38Å; E90-L94 WeakPolarHBondContact O-CB 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.24Å; E90-L94 PolarHBondContact O-N 3.09Å; A91-L94 PolarHBondContact O-N 2.93Å; L94-F96 PolarHBondContact O-N 3.07Å; L94-D97 CarbonylContact O-C 3.28Å; L94-D97 PolarHBondContact O-N 3.12Å; L94-D97 VanDerWaalsContact O-N 3.15Å; L94-D97 VanDerWaalsContact O-O 3.09Å; L94-T100 HydrophobicContact CD2-CG2 4.33Å; L94-T100 WeakPolarHBondContact CD2-OG1 3.4Å; L94-V150 HydrophobicContact CD1-CG1 3.97Å; L94-V150 HydrophobicContact CD2-CG1 4.14Å
95K64.4Low71.1Confident166 Ų16674.5 Ų74.572%0.72238%0.381SS*.Hα-helixtrans-57.8-35.2172.7-84.4175.9-174.3178.90112.7A91A91-K95 VanDerWaalsContact O-CG 3.29Å; A91-K95 WeakPolarHBondContact O-CG 3.3Å; A91-K95 PolarHBondContact O-N 3.4Å
96F62.6Low71.8Confident191 Ų19177.6 Ų77.684%0.83839%0.392SS*.Hα-helixtrans-89.6-15.8178.2-64.6-74000113.3S92 R93 L94S92-F96 VanDerWaalsContact O-CD2 3.22Å; S92-F96 WeakPolarHBondContact O-CD2 3.44Å; R93-F96 PolarHBondContact O-N 3.2Å; L94-F96 PolarHBondContact O-N 3.07Å
97D63.9Low72.5Confident45 Ų4577.1 Ų77.124%0.24139%0.389CS..  trans-130.178.2172.5-169.36.1000110.4R93 L94 W99 T100R93-D97 PolarHBondContact O-N 2.88Å; L94-D97 CarbonylContact O-C 3.28Å; L94-D97 PolarHBondContact O-N 3.12Å; L94-D97 VanDerWaalsContact O-N 3.15Å; L94-D97 VanDerWaalsContact O-O 3.09Å; D97-W99 PolarHBondContact O-N 3.28Å; D97-W99 WeakPolarHBondContact OD1-CA 3.49Å; D97-W99 WeakPolarHBondContact OD1-CB 3.41Å; D97-W99 PolarHBondContact OD1-N 3.07Å; D97-W99 VanDerWaalsContact OD1-N 3.15Å; D97-T100 PolarHBondContact O-N 3.44Å; D97-T100 PolarHBondContact O-OG1 3.2Å
98P53.6Low73.4Confident69 Ų6975.8 Ų75.845%0.44838%0.379SS..THydrogen-bonded Turntrans-53.3-27.2173.8-22.431.6000111.2T100 M101P98-T100 VanDerWaalsContact C-N 3.25Å; P98-T100 CarbonylContact O-C 3.58Å; P98-T100 PolarHBondContact O-N 2.99Å; P98-M101 VanDerWaalsContact O-CA 3.28Å; P98-M101 WeakPolarHBondContact O-CA 3.38Å; P98-M101 WeakPolarHBondContact O-CG 3.37Å; P98-M101 PolarHBondContact O-N 3.29Å
99W51.8Low74.2Confident169 Ų16968.6 Ų68.664%0.6435%0.346SS*.THydrogen-bonded Turntrans-71.4-12.1-177.5-5299000114.8D97 M101D97-W99 PolarHBondContact O-N 3.28Å; D97-W99 WeakPolarHBondContact OD1-CA 3.49Å; D97-W99 WeakPolarHBondContact OD1-CB 3.41Å; D97-W99 PolarHBondContact OD1-N 3.07Å; D97-W99 VanDerWaalsContact OD1-N 3.15Å; W99-M101 PolarHBondContact O-N 2.92Å
100T61.5Low75Confident26 Ų2669.2 Ų69.216%0.1634%0.335CS..SBendtrans-7341.2153.9310000111.3L94 D97 P98 I102L94-T100 HydrophobicContact CD2-CG2 4.33Å; L94-T100 WeakPolarHBondContact CD2-OG1 3.4Å; D97-T100 PolarHBondContact O-N 3.44Å; D97-T100 PolarHBondContact O-OG1 3.2Å; P98-T100 VanDerWaalsContact C-N 3.25Å; P98-T100 CarbonylContact O-C 3.58Å; P98-T100 PolarHBondContact O-N 2.99Å; T100-I102 PolarHBondContact O-N 3.35Å
101M68.4Low75.9Confident82 Ų8274 Ų7440%0.40435%0.352SS..  trans-62.5125.1-175.7-62.8-82.8-155.600108.7P98 W99 T103 H118P98-M101 VanDerWaalsContact O-CA 3.28Å; P98-M101 WeakPolarHBondContact O-CA 3.38Å; P98-M101 WeakPolarHBondContact O-CG 3.37Å; P98-M101 PolarHBondContact O-N 3.29Å; W99-M101 PolarHBondContact O-N 2.92Å; M101-T103 PolarHBondContact O-N 2.94Å; M101-H118 PolarHBondContact O-N 3.41Å; M101-H118 VanDerWaalsContact O-N 3.1Å
102I82.7Confident76.9Confident7 Ų775.5 Ų75.54%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-64.9116.7147-63.3169.6000106.2F67 L79 V82 W83 V86 T100 Y115 C116 L117F67-I102 HydrophobicContact CE1-CG2 4.23Å; F67-I102 HydrophobicContact CZ-CD1 4.09Å; F67-I102 HydrophobicContact CZ-CG1 4.18Å; F67-I102 HydrophobicContact CZ-CG2 3.7Å; L79-I102 HydrophobicContact CD1-CG2 4.07Å; V82-I102 HydrophobicContact CG1-CD1 3.95Å; V82-I102 HydrophobicContact CG1-CG2 4.07Å; W83-I102 HydrophobicContact CD2-CD1 4.24Å; W83-I102 HydrophobicContact CE3-CD1 4.15Å; W83-I102 HydrophobicContact CH2-CB 4.23Å; W83-I102 HydrophobicContact CH2-CD1 4.26Å; W83-I102 HydrophobicContact CH2-CG1 4.18Å; W83-I102 HydrophobicContact CZ2-CB 3.77Å; W83-I102 HydrophobicContact CZ2-CD1 4.33Å; W83-I102 HydrophobicContact CZ2-CG1 4.2Å; W83-I102 HydrophobicContact CZ3-CD1 4.19Å; V86-I102 HydrophobicContact CG2-CD1 3.72Å; T100-I102 PolarHBondContact O-N 3.35Å; I102-Y115 HydrophobicContact CG2-CD1 4.04Å; I102-Y115 HydrophobicContact CG2-CG 4.3Å; I102-C116 CarbonylContact C-O 3.59Å; I102-C116 WeakPolarHBondContact CA-O 3.49Å; I102-L117 HydrophobicContact CG1-CD2 4.01Å
103T86.7Confident78Confident48 Ų4876.6 Ų76.629%0.29436%0.363SS..EExtended strand (participates in β ladder)trans-119.9180175.5-169.80000109.8M101 Q105 Y115 C116 H118M101-T103 PolarHBondContact O-N 2.94Å; T103-Q105 HydrophobicContact CG2-CG 4.42Å; T103-Y115 CarbonylContact O-C 2.99Å; T103-Y115 WeakPolarHBondContact O-CA 3.25Å; T103-C116 WeakPolarHBondContact CG2-SG 3.26Å; T103-C116 PolarHBondContact N-O 2.98Å; T103-C116 PolarHBondContact O-N 2.86Å; T103-H118 HydrophobicContact CG2-CB 4.28Å
104Q89.5Confident79.2Confident103 Ų10372 Ų7248%0.48135%0.346SS..EExtended strand (participates in β ladder)trans-113.1138.8172.6-71-177.5-42.200111W114 Y115Q104-W114 CarbonylContact C-O 3.59Å; Q104-W114 VanDerWaalsContact CA-O 3.29Å; Q104-W114 WeakPolarHBondContact CA-O 3.38Å; Q104-Y115 HydrophobicContact CG-CD1 3.46Å; Q104-Y115 VanDerWaalsContact CG-CD1 3.46Å; Q104-Y115 HydrophobicContact CG-CE1 3.54Å; Q104-Y115 HydrophobicContact CG-CG 4.38Å
105Q91Very high80.4Confident62 Ų6271.9 Ų71.929%0.2935%0.345SS..EExtended strand (participates in β ladder)trans-141.3162.9174.4-69.2-172-26.200110.7T103 W114 C116T103-Q105 HydrophobicContact CG2-CG 4.42Å; Q105-W114 PolarHBondContact N-O 3.25Å; Q105-W114 PolarHBondContact O-N 2.69Å; Q105-C116 PolarHBondContact OE1-SG 3.49Å
106E92.1Very high81.6Confident108 Ų10864 Ų6451%0.50531%0.311SS..EExtended strand (participates in β ladder)trans-75.8129.1174.4-172.9-174.7-115.900110.6R111E106-R111 VanDerWaalsContact CD-CD 3.46Å; E106-R111 HydrophobicContact CG-CB 4.44Å; E106-R111 WeakPolarHBondContact OE2-CD 3.47Å; E106-R111 IonicContact OE2-CZ 3.55Å; E106-R111 IonicContact OE2-NE 2.68Å; E106-R111 IonicContact OE2-NH1 2.71Å; E106-R111 PolarHBondContact OE2-NH1 2.97Å
107H92.7Very high82.7Confident0 Ų055.8 Ų55.80%028%0.276CS..  trans-66.2128.2175.6-171.3-83.9000111.3H53 L66 I109 F110 R111 T112 W114H53-H107 AromaticContact CE1-NE2 3.83Å; H53-H107 AromaticContact CG-NE2 3.7Å; H53-H107 AromaticContact ND1-CD2 3.84Å; H53-H107 AromaticContact ND1-CE1 3.66Å; H53-H107 AromaticContact ND1-NE2 2.89Å; H53-H107 PolarHBondContact ND1-NE2 2.95Å; L66-H107 HydrophobicContact CD1-CB 4.49Å; L66-H107 VanDerWaalsContact CD1-CD2 3.43Å; L66-H107 WeakPolarHBondContact CD1-CD2 3.31Å; H107-I109 PolarHBondContact ND1-N 3.09Å; H107-I109 PolarHBondContact O-N 2.85Å; H107-I109 VanDerWaalsContact O-N 3.1Å; H107-F110 HydrophobicContact CB-CB 4.13Å; H107-F110 HydrophobicContact CB-CD2 4.32Å; H107-F110 AromaticContact CD2-CD2 3.94Å; H107-F110 AromaticContact CE1-CD2 3.49Å; H107-F110 VanDerWaalsContact CE1-CD2 3.49Å; H107-F110 WeakPolarHBondContact CE1-CD2 3.32Å; H107-F110 AromaticContact CE1-CE2 3.65Å; H107-F110 AromaticContact CE1-CG 3.96Å; H107-F110 AromaticContact CG-CD2 3.6Å; H107-F110 AromaticContact ND1-CD2 3.26Å; H107-F110 VanDerWaalsContact ND1-CD2 3.26Å; H107-F110 WeakPolarHBondContact ND1-CD2 3.39Å; H107-F110 AromaticContact ND1-CE2 3.92Å; H107-F110 AromaticContact ND1-CG 3.46Å; H107-F110 WeakPolarHBondContact ND1-CG 3.41Å; H107-F110 PolarHBondContact ND1-N 3.42Å; H107-F110 VanDerWaalsContact ND1-N 3.15Å; H107-F110 AromaticContact NE2-CD2 3.91Å; H107-F110 AromaticContact NE2-CE2 3.93Å; H107-F110 PolarHBondContact O-N 2.8Å; H107-R111 PolarHBondContact O-N 3.36Å; H107-T112 PolarHBondContact N-O 2.8Å; H107-W114 VanDerWaalsContact CB-CD1 3.49Å; H107-W114 HydrophobicContact CB-CD2 4.4Å; H107-W114 HydrophobicContact CB-CG 3.92Å; H107-W114 AromaticContact CD2-CD2 3.75Å; H107-W114 AromaticContact CD2-CE2 3.82Å
108P87.9Confident83.5Confident32 Ų3257.2 Ų57.221%0.20828%0.281CS..THydrogen-bonded Turntrans-63-28.4-170.123.6-34.3000113.6C55 L66C55-P108 HydrophobicContact CB-CG 4.03Å; L66-P108 HydrophobicContact CD1-CG 4.45Å
109I87.4Confident84.9Confident19 Ų1954.2 Ų54.210%0.09726%0.261CS..THydrogen-bonded Turntrans-92.3-44.1177.3-60.4-176.5000112.2C31 R34 T36 V38 H107C31-I109 HydrophobicContact CB-CD1 4.07Å; C31-I109 HydrophobicContact CB-CG1 4.25Å; R34-I109 PolarHBondContact NH2-O 3.04Å; T36-I109 HydrophobicContact CG2-CG1 4.33Å; V38-I109 HydrophobicContact CB-CD1 4Å; V38-I109 HydrophobicContact CG2-CD1 3.42Å; V38-I109 VanDerWaalsContact CG2-CD1 3.42Å; V38-I109 HydrophobicContact CG2-CG1 4.05Å; H107-I109 PolarHBondContact ND1-N 3.09Å; H107-I109 PolarHBondContact O-N 2.85Å; H107-I109 VanDerWaalsContact O-N 3.1Å
110F88.2Confident86.4Confident87 Ų8749.2 Ų49.238%0.38225%0.251SS..THydrogen-bonded Turntrans-93.5-17.9-164.8-57.4-39.4000112.7H53 H107 T112 W114H53-F110 AromaticContact CE1-CE2 3.3Å; H53-F110 WeakPolarHBondContact CE1-CE2 3.36Å; H53-F110 AromaticContact CE1-CZ 3.68Å; H53-F110 AromaticContact ND1-CE2 3.85Å; H107-F110 HydrophobicContact CB-CB 4.13Å; H107-F110 HydrophobicContact CB-CD2 4.32Å; H107-F110 AromaticContact CD2-CD2 3.94Å; H107-F110 AromaticContact CE1-CD2 3.49Å; H107-F110 VanDerWaalsContact CE1-CD2 3.49Å; H107-F110 WeakPolarHBondContact CE1-CD2 3.32Å; H107-F110 AromaticContact CE1-CE2 3.65Å; H107-F110 AromaticContact CE1-CG 3.96Å; H107-F110 AromaticContact CG-CD2 3.6Å; H107-F110 AromaticContact ND1-CD2 3.26Å; H107-F110 VanDerWaalsContact ND1-CD2 3.26Å; H107-F110 WeakPolarHBondContact ND1-CD2 3.39Å; H107-F110 AromaticContact ND1-CE2 3.92Å; H107-F110 AromaticContact ND1-CG 3.46Å; H107-F110 WeakPolarHBondContact ND1-CG 3.41Å; H107-F110 PolarHBondContact ND1-N 3.42Å; H107-F110 VanDerWaalsContact ND1-N 3.15Å; H107-F110 AromaticContact NE2-CD2 3.91Å; H107-F110 AromaticContact NE2-CE2 3.93Å; H107-F110 PolarHBondContact O-N 2.8Å; F110-T112 PolarHBondContact O-N 2.92Å; F110-W114 AromaticContact CD2-CZ2 3.72Å; F110-W114 HydrophobicContact CD2-CZ2 3.72Å; F110-W114 HydrophobicContact CE2-CH2 4.29Å; F110-W114 AromaticContact CE2-CZ2 3.71Å; F110-W114 HydrophobicContact CE2-CZ2 3.71Å
111R89.3Confident87.5Confident132 Ų13252.3 Ų52.350%0.49826%0.262SS..  trans56.439.2-178.1-53.9-62.7179.3179.1-2.2112.5E106 H107E106-R111 VanDerWaalsContact CD-CD 3.46Å; E106-R111 HydrophobicContact CG-CB 4.44Å; E106-R111 WeakPolarHBondContact OE2-CD 3.47Å; E106-R111 IonicContact OE2-CZ 3.55Å; E106-R111 IonicContact OE2-NE 2.68Å; E106-R111 IonicContact OE2-NH1 2.71Å; E106-R111 PolarHBondContact OE2-NH1 2.97Å; H107-R111 PolarHBondContact O-N 3.36Å
112T92.6Very high88.5Confident63 Ų6348.9 Ų48.939%0.38725%0.246SC..SBendtrans-126.3156.7176.852.10000110.4H107 F110 W114H107-T112 PolarHBondContact N-O 2.8Å; F110-T112 PolarHBondContact O-N 2.92Å; T112-W114 PolarHBondContact O-N 3.02Å; T112-W114 PolarHBondContact OG1-NE1 2.76Å
113P93.5Very high88.8Confident86 Ų8653.3 Ų53.356%0.55827%0.267SS*.EExtended strand (participates in β ladder)trans-67.2130.3177.6-19.833000112.2N68N68-P113 PolarHBondContact ND2-O 2.74Å
114W95.4Very high88.9Confident7 Ų754.3 Ų54.33%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-132.5147.6175.6-79.156.6000109.4E51 H53 L66 N68 W70 Q104 Q105 H107 F110 T112E51-W114 HydrophobicContact CB-CH2 3.86Å; E51-W114 HydrophobicContact CB-CZ3 4.13Å; H53-W114 HydrophobicContact CB-CZ3 4.05Å; H53-W114 AromaticContact CD2-CH2 3.45Å; H53-W114 VanDerWaalsContact CD2-CH2 3.45Å; H53-W114 WeakPolarHBondContact CD2-CH2 3.14Å; H53-W114 AromaticContact CD2-CZ3 3.46Å; H53-W114 VanDerWaalsContact CD2-CZ3 3.46Å; H53-W114 WeakPolarHBondContact CD2-CZ3 3.39Å; H53-W114 AromaticContact CE1-CH2 3.71Å; H53-W114 AromaticContact CG-CH2 3.8Å; H53-W114 AromaticContact CG-CZ3 3.63Å; H53-W114 AromaticContact ND1-CH2 3.9Å; H53-W114 AromaticContact NE2-CH2 3.44Å; H53-W114 WeakPolarHBondContact NE2-CH2 3.38Å; H53-W114 AromaticContact NE2-CZ3 3.98Å; L66-W114 HydrophobicContact CB-CB 4.33Å; L66-W114 HydrophobicContact CB-CE3 3.9Å; L66-W114 HydrophobicContact CD2-CB 4.06Å; N68-W114 HydrophobicContact CB-CD2 4.43Å; N68-W114 HydrophobicContact CB-CE3 4.28Å; N68-W114 HydrophobicContact CB-CZ3 4.42Å; N68-W114 VanDerWaalsContact ND2-CD2 3.35Å; N68-W114 VanDerWaalsContact ND2-CG 3.34Å; W70-W114 HydrophobicContact CH2-CH2 4.39Å; W70-W114 HydrophobicContact CH2-CZ2 4.45Å; Q104-W114 CarbonylContact C-O 3.59Å; Q104-W114 VanDerWaalsContact CA-O 3.29Å; Q104-W114 WeakPolarHBondContact CA-O 3.38Å; Q105-W114 PolarHBondContact N-O 3.25Å; Q105-W114 PolarHBondContact O-N 2.69Å; H107-W114 VanDerWaalsContact CB-CD1 3.49Å; H107-W114 HydrophobicContact CB-CD2 4.4Å; H107-W114 HydrophobicContact CB-CG 3.92Å; H107-W114 AromaticContact CD2-CD2 3.75Å; H107-W114 AromaticContact CD2-CE2 3.82Å; F110-W114 AromaticContact CD2-CZ2 3.72Å; F110-W114 HydrophobicContact CD2-CZ2 3.72Å; F110-W114 HydrophobicContact CE2-CH2 4.29Å; F110-W114 AromaticContact CE2-CZ2 3.71Å; F110-W114 HydrophobicContact CE2-CZ2 3.71Å; T112-W114 PolarHBondContact O-N 3.02Å; T112-W114 PolarHBondContact OG1-NE1 2.76Å
115Y92.7Very high88.9Confident8 Ų851.1 Ų51.13%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-73.5149.2168.7-60.7-74000110.2L66 F67 N68 F77 S78 L79 V82 I102 T103 Q104L66-Y115 CarbonylContact C-O 3.53Å; L66-Y115 VanDerWaalsContact CA-O 3.27Å; L66-Y115 WeakPolarHBondContact CA-O 3.09Å; F67-Y115 HydrophobicContact CE2-CG 4.49Å; F67-Y115 HydrophobicContact CZ-CG 4.48Å; F67-Y115 PolarHBondContact N-O 3.27Å; F67-Y115 WeakPolarHBondContact O-CB 3.36Å; F67-Y115 PolarHBondContact O-N 2.89Å; N68-Y115 WeakPolarHBondContact OD1-CD2 3.39Å; F77-Y115 WeakPolarHBondContact O-CE2 3.37Å; F77-Y115 PolarHBondContact O-OH 3.37Å; S78-Y115 VanDerWaalsContact C-OH 3.27Å; L79-Y115 HydrophobicContact CB-CE1 4.16Å; L79-Y115 HydrophobicContact CD1-CD1 4.06Å; L79-Y115 HydrophobicContact CD1-CE1 3.78Å; L79-Y115 PolarHBondContact N-OH 3.28Å; L79-Y115 VanDerWaalsContact N-OH 3.13Å; V82-Y115 HydrophobicContact CG2-CD2 3.76Å; V82-Y115 HydrophobicContact CG2-CE2 3.53Å; V82-Y115 HydrophobicContact CG2-CG 4.39Å; I102-Y115 HydrophobicContact CG2-CD1 4.04Å; I102-Y115 HydrophobicContact CG2-CG 4.3Å; T103-Y115 CarbonylContact O-C 2.99Å; T103-Y115 WeakPolarHBondContact O-CA 3.25Å; Q104-Y115 HydrophobicContact CG-CD1 3.46Å; Q104-Y115 VanDerWaalsContact CG-CD1 3.46Å; Q104-Y115 HydrophobicContact CG-CE1 3.54Å; Q104-Y115 HydrophobicContact CG-CG 4.38Å
116C91.3Very high88.9Confident0 Ų048.2 Ų48.20%025%0.248CC..EExtended strand (participates in β ladder)trans-148.3157.3172.670.50000112L64 L65 L66 I102 T103 Q105L64-C116 HydrophobicContact CD1-CB 4.12Å; L65-C116 VanDerWaalsContact O-CA 3.25Å; L65-C116 WeakPolarHBondContact O-CA 3.42Å; L65-C116 VanDerWaalsContact O-CB 3.3Å; L65-C116 WeakPolarHBondContact O-CB 3.38Å; L66-C116 HydrophobicContact CD2-CB 3.53Å; L66-C116 HydrophobicContact CG-CB 4.45Å; I102-C116 CarbonylContact C-O 3.59Å; I102-C116 WeakPolarHBondContact CA-O 3.49Å; T103-C116 WeakPolarHBondContact CG2-SG 3.26Å; T103-C116 PolarHBondContact N-O 2.98Å; T103-C116 PolarHBondContact O-N 2.86Å; Q105-C116 PolarHBondContact OE1-SG 3.49Å
117L84.3Confident88.8Confident19 Ų1946.3 Ų46.310%0.09924%0.243CC..EExtended strand (participates in β ladder)trans-75.9125.3162-66174.5000108.6L65 I102 V147 V150 V151L65-L117 HydrophobicContact CD2-CD1 4.3Å; L65-L117 PolarHBondContact O-N 2.9Å; I102-L117 HydrophobicContact CG1-CD2 4.01Å; L117-V147 HydrophobicContact CD1-CB 3.74Å; L117-V147 HydrophobicContact CD1-CG1 4.49Å; L117-V147 HydrophobicContact CD1-CG2 4.47Å; L117-V147 WeakPolarHBondContact CD1-O 3.47Å; L117-V150 HydrophobicContact CD1-CB 4.17Å; L117-V150 HydrophobicContact CD1-CG1 4.47Å; L117-V150 HydrophobicContact CD2-CB 4.29Å; L117-V150 HydrophobicContact CD2-CG1 3.73Å; L117-V151 HydrophobicContact CD1-CG1 4.02Å; L117-V151 HydrophobicContact CD2-CG1 3.91Å; L117-V151 HydrophobicContact CG-CG1 3.83Å
118H82Confident88.6Confident75 Ų7551.9 Ų51.935%0.34727%0.273SS..  trans-57.7128.7-177.3-168.4-80000111.4M101 T103 C120M101-H118 PolarHBondContact O-N 3.41Å; M101-H118 VanDerWaalsContact O-N 3.1Å; T103-H118 HydrophobicContact CG2-CB 4.28Å; H118-C120 VanDerWaalsContact ND1-CB 3.3Å; H118-C120 WeakPolarHBondContact ND1-CB 3.46Å; H118-C120 PolarHBondContact ND1-N 3.19Å; H118-C120 PolarHBondContact ND1-SG 3.21Å; H118-C120 PolarHBondContact O-N 3.16Å; H118-C120 VanDerWaalsContact O-N 3.07Å
119P81.4Confident88.6Confident6 Ų651.3 Ų51.34%0.03927%0.268CS..G310 helixtrans-73.4-4.2-168.428.1-35.7000114.9Y60 V62 L64 K121 T122Y60-P119 HydrophobicContact CD2-CG 4.41Å; V62-P119 HydrophobicContact CG2-CB 4.1Å; L64-P119 HydrophobicContact CD1-CB 4.21Å; L64-P119 HydrophobicContact CD1-CG 4.33Å; P119-K121 PolarHBondContact O-N 3.1Å; P119-K121 VanDerWaalsContact O-N 3.08Å; P119-T122 WeakPolarHBondContact O-CB 3.46Å; P119-T122 PolarHBondContact O-N 2.89Å; P119-T122 PolarHBondContact O-OG1 3.15Å
120C83.3Confident88.5Confident64 Ų6454.7 Ų54.743%0.43228%0.279SS..G310 helixtrans-60.3-23.6-173.263.80000114.7H118H118-C120 VanDerWaalsContact ND1-CB 3.3Å; H118-C120 WeakPolarHBondContact ND1-CB 3.46Å; H118-C120 PolarHBondContact ND1-N 3.19Å; H118-C120 PolarHBondContact ND1-SG 3.21Å; H118-C120 PolarHBondContact O-N 3.16Å; H118-C120 VanDerWaalsContact O-N 3.07Å
121K84.7Confident88.4Confident91 Ų9157.4 Ų57.440%0.39630%0.297SS..G310 helixtrans-97.8-11.8176-59.3-59-173.9177.70113P119 E123 S124 I125P119-K121 PolarHBondContact O-N 3.1Å; P119-K121 VanDerWaalsContact O-N 3.08Å; K121-E123 VanDerWaalsContact C-N 3.34Å; K121-E123 PolarHBondContact O-N 2.9Å; K121-S124 PolarHBondContact O-N 2.86Å; K121-I125 HydrophobicContact CB-CD1 4.33Å; K121-I125 WeakPolarHBondContact O-CG1 3.36Å; K121-I125 PolarHBondContact O-N 2.75Å
122T90Very high88Confident9 Ų955.4 Ų55.46%0.05530%0.303CS..Hα-helixtrans-61.9-42.3-173.4-59.80000111.6V62 P63 P119 S124 I125 L126V62-T122 HydrophobicContact CB-CG2 3.64Å; V62-T122 HydrophobicContact CG1-CG2 3.97Å; V62-T122 HydrophobicContact CG2-CG2 4.28Å; P63-T122 HydrophobicContact CG-CG2 3.93Å; P119-T122 WeakPolarHBondContact O-CB 3.46Å; P119-T122 PolarHBondContact O-N 2.89Å; P119-T122 PolarHBondContact O-OG1 3.15Å; T122-S124 VanDerWaalsContact C-N 3.33Å; T122-S124 PolarHBondContact O-N 2.87Å; T122-I125 PolarHBondContact O-N 2.86Å; T122-L126 HydrophobicContact CG2-CD1 4.26Å; T122-L126 HydrophobicContact CG2-CG 4.14Å; T122-L126 WeakPolarHBondContact O-CB 3.42Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 3.39Å
123E89.7Confident87.2Confident101 Ų10153.7 Ų53.747%0.47229%0.291SS..Hα-helixtrans-61.1-42.8178.4-175.3178.6-146.100112.1V62 K121 L126 T127V62-E123 HydrophobicContact CG1-CB 4.13Å; K121-E123 VanDerWaalsContact C-N 3.34Å; K121-E123 PolarHBondContact O-N 2.9Å; E123-L126 PolarHBondContact O-N 3.45Å; E123-T127 WeakPolarHBondContact O-CB 3.36Å; E123-T127 PolarHBondContact O-N 2.91Å; E123-T127 PolarHBondContact O-OG1 3.28Å
124S89.1Confident86.4Confident68 Ų6852.5 Ų52.548%0.47629%0.285SS..Hα-helixtrans-63.8-43.6176.5-51.70000111.5K121 T122 T127 L128K121-S124 PolarHBondContact O-N 2.86Å; T122-S124 VanDerWaalsContact C-N 3.33Å; T122-S124 PolarHBondContact O-N 2.87Å; S124-T127 PolarHBondContact O-N 2.98Å; S124-L128 WeakPolarHBondContact O-CG 3.37Å; S124-L128 PolarHBondContact O-N 3.42Å
125I89.2Confident85.2Confident36 Ų3661.5 Ų61.519%0.18533%0.327CS..Hα-helixtrans-59.9-49.7175.9-67.5166.5000110.3K121 T122 T127 L128 L129 V146 V147K121-I125 HydrophobicContact CB-CD1 4.33Å; K121-I125 WeakPolarHBondContact O-CG1 3.36Å; K121-I125 PolarHBondContact O-N 2.75Å; T122-I125 PolarHBondContact O-N 2.86Å; I125-T127 VanDerWaalsContact C-N 3.28Å; I125-T127 PolarHBondContact O-N 3.28Å; I125-L128 PolarHBondContact O-N 2.66Å; I125-L129 HydrophobicContact CG2-CD1 3.75Å; I125-L129 HydrophobicContact CG2-CG 4.28Å; I125-L129 WeakPolarHBondContact O-CB 3.3Å; I125-L129 VanDerWaalsContact O-CG 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 3.39Å; I125-V146 HydrophobicContact CD1-CG1 4.31Å; I125-V146 HydrophobicContact CG2-CB 4.2Å; I125-V146 HydrophobicContact CG2-CG1 4.08Å; I125-V146 HydrophobicContact CG2-CG2 4.21Å; I125-V147 HydrophobicContact CD1-CG1 4.14Å
126L90.3Very high84.4Confident2 Ų270.6 Ų70.61%0.0137%0.367CS..Hα-helixtrans-60.7-38.3178.6-71.7-173.2000112.5L2 V62 P63 T122 E123 R130 W143L2-L126 HydrophobicContact CB-CD1 4.38Å; V62-L126 HydrophobicContact CG1-CD1 4.22Å; P63-L126 HydrophobicContact CG-CD1 4.39Å; T122-L126 HydrophobicContact CG2-CD1 4.26Å; T122-L126 HydrophobicContact CG2-CG 4.14Å; T122-L126 WeakPolarHBondContact O-CB 3.42Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 3.39Å; E123-L126 PolarHBondContact O-N 3.45Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 VanDerWaalsContact O-CG 3.25Å; L126-R130 WeakPolarHBondContact O-CG 3.5Å; L126-R130 PolarHBondContact O-N 3.49Å; L126-W143 HydrophobicContact CD2-CB 3.78Å; L126-W143 HydrophobicContact CD2-CG 4.14Å
127T90.3Very high84.1Confident67 Ų6776 Ų7641%0.41139%0.387SS..Hα-helixtrans-65.3-46.7178.2-59.90000110.8E123 S124 I125 R130 L131E123-T127 WeakPolarHBondContact O-CB 3.36Å; E123-T127 PolarHBondContact O-N 2.91Å; E123-T127 PolarHBondContact O-OG1 3.28Å; S124-T127 PolarHBondContact O-N 2.98Å; I125-T127 VanDerWaalsContact C-N 3.28Å; I125-T127 PolarHBondContact O-N 3.28Å; T127-R130 PolarHBondContact O-N 3.5Å; T127-L131 WeakPolarHBondContact O-CG 3.24Å; T127-L131 PolarHBondContact O-N 2.89Å
128L88.4Confident84.5Confident117 Ų11776 Ų7661%0.61339%0.388SS*.Hα-helixtrans-61.6-45.9175.8-70.2172.2000111.7S124 I125 R130 L131 S132S124-L128 WeakPolarHBondContact O-CG 3.37Å; S124-L128 PolarHBondContact O-N 3.42Å; I125-L128 PolarHBondContact O-N 2.66Å; L128-R130 PolarHBondContact O-N 3.2Å; L128-L131 PolarHBondContact O-N 3.22Å; L128-L131 VanDerWaalsContact O-N 3.12Å; L128-S132 PolarHBondContact O-N 3.38Å; L128-S132 VanDerWaalsContact O-N 3.07Å; L128-S132 PolarHBondContact O-OG 2.83Å
129L88.3Confident85Confident21 Ų2173.3 Ų73.311%0.1138%0.377CS..Hα-helixtrans-57.7-48.2177.2-75.6172.6000111.2I125 L131 S132 I133 S142 W143 V146I125-L129 HydrophobicContact CG2-CD1 3.75Å; I125-L129 HydrophobicContact CG2-CG 4.28Å; I125-L129 WeakPolarHBondContact O-CB 3.3Å; I125-L129 VanDerWaalsContact O-CG 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 3.39Å; L129-L131 PolarHBondContact O-N 3.47Å; L129-S132 PolarHBondContact O-N 3.39Å; L129-S132 PolarHBondContact O-OG 2.87Å; L129-S132 VanDerWaalsContact O-OG 3.09Å; L129-I133 HydrophobicContact CB-CD1 4.18Å; L129-I133 WeakPolarHBondContact O-CG1 3.47Å; L129-I133 PolarHBondContact O-N 3.48Å; L129-S142 WeakPolarHBondContact CD1-O 3.37Å; L129-W143 HydrophobicContact CD1-CB 4.22Å; L129-V146 HydrophobicContact CD1-CG2 4.25Å; L129-V146 HydrophobicContact CD2-CG2 4.2Å
130R85Confident85.7Confident90 Ų9073 Ų7334%0.3438%0.375SS..Hα-helixtrans-58.9-29.5177.4-78.2174173.4137.2-1.9113.9M1 L2 L126 T127 L128M1-R130 PolarHBondContact O-NH2 2.89Å; L2-R130 VanDerWaalsContact N-NH2 3.17Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 VanDerWaalsContact O-CG 3.25Å; L126-R130 WeakPolarHBondContact O-CG 3.5Å; L126-R130 PolarHBondContact O-N 3.49Å; T127-R130 PolarHBondContact O-N 3.5Å; L128-R130 PolarHBondContact O-N 3.2Å
131L86.5Confident86.2Confident144 Ų14470.5 Ų70.575%0.75436%0.357SS*.Hα-helixtrans-80-29.3176.3-66.8172.5000112.4T127 L128 L129T127-L131 WeakPolarHBondContact O-CG 3.24Å; T127-L131 PolarHBondContact O-N 2.89Å; L128-L131 PolarHBondContact O-N 3.22Å; L128-L131 VanDerWaalsContact O-N 3.12Å; L129-L131 PolarHBondContact O-N 3.47Å
132S80.9Confident86.5Confident89 Ų8966.8 Ų66.862%0.62234%0.343SS*.Hα-helixtrans-97-23.2-174.8630000114.7L128 L129L128-S132 PolarHBondContact O-N 3.38Å; L128-S132 VanDerWaalsContact O-N 3.07Å; L128-S132 PolarHBondContact O-OG 2.83Å; L129-S132 PolarHBondContact O-N 3.39Å; L129-S132 PolarHBondContact O-OG 2.87Å; L129-S132 VanDerWaalsContact O-OG 3.09Å
133I75.5Confident86.7Confident28 Ų2866.5 Ų66.514%0.14434%0.34CS..SBendtrans-110.6151.6-175.379.1-166.4000111.4L129 Q135 R137 S142L129-I133 HydrophobicContact CB-CD1 4.18Å; L129-I133 WeakPolarHBondContact O-CG1 3.47Å; L129-I133 PolarHBondContact O-N 3.48Å; I133-Q135 PolarHBondContact O-N 3.31Å; I133-R137 HydrophobicContact CD1-CB 4.1Å; I133-R137 HydrophobicContact CG1-CB 4.26Å; I133-S142 WeakPolarHBondContact CD1-OG 3.29Å
134S75.3Confident86.9Confident60 Ų6061.7 Ų61.742%0.4232%0.318SS..  trans-55.8138.4170.31750000110.4K136 R137S134-K136 PolarHBondContact O-N 2.91Å; S134-K136 PolarHBondContact OG-N 3.17Å; S134-R137 PolarHBondContact O-N 2.95Å
135Q71.1Confident86.9Confident196 Ų19661.1 Ų61.192%0.91631%0.314SS*.THydrogen-bonded Turntrans-57.3-15.5174.4-69-177.3-4.300113.3I133 R137I133-Q135 PolarHBondContact O-N 3.31Å; Q135-R137 VanDerWaalsContact C-N 3.33Å
136K76.4Confident86.8Confident199 Ų19962.5 Ų62.587%0.86532%0.324SS*.THydrogen-bonded Turntrans-78-13.4175.1-62.1-174.2178.6-177.50113.9S134S134-K136 PolarHBondContact O-N 2.91Å; S134-K136 PolarHBondContact OG-N 3.17Å
137R85.2Confident86.7Confident113 Ų11362.9 Ų62.943%0.42633%0.327SS..SBendtrans-79.1138.5-179.2-67.2-159.8-172.1152-3.6110.5I133 S134 Q135 C139 E162I133-R137 HydrophobicContact CD1-CB 4.1Å; I133-R137 HydrophobicContact CG1-CB 4.26Å; S134-R137 PolarHBondContact O-N 2.95Å; Q135-R137 VanDerWaalsContact C-N 3.33Å; R137-C139 PolarHBondContact O-N 3.2Å; R137-C139 VanDerWaalsContact O-N 3.17Å; R137-E162 IonicContact CZ-OE1 2.73Å; R137-E162 VanDerWaalsContact CZ-OE1 3.29Å; R137-E162 IonicContact NE-OE1 2.65Å; R137-E162 PolarHBondContact NE-OE1 2.89Å; R137-E162 IonicContact NH2-OE1 3.04Å; R137-E162 PolarHBondContact NH2-OE1 2.76Å
138N92.6Very high86.6Confident20 Ų2059.8 Ų59.811%0.10731%0.307CS..  trans-58.3118.5175-175.4-63.7000110.7C10 E13 V140 L141 S142C10-N138 VanDerWaalsContact CA-ND2 3.29Å; C10-N138 WeakPolarHBondContact CA-ND2 3.46Å; C10-N138 PolarHBondContact O-ND2 3.32Å; E13-N138 WeakPolarHBondContact CB-ND2 3.47Å; E13-N138 PolarHBondContact OE2-ND2 3.4Å; N138-V140 PolarHBondContact OD1-N 2.89Å; N138-L141 HydrophobicContact CB-CB 3.96Å; N138-L141 WeakPolarHBondContact OD1-CB 3.37Å; N138-L141 PolarHBondContact OD1-N 2.96Å; N138-S142 WeakPolarHBondContact O-CB 3.34Å; N138-S142 PolarHBondContact O-N 3.13Å; N138-S142 PolarHBondContact O-OG 2.94Å
139C92.1Very high86.5Confident18 Ų1856.7 Ų56.712%0.12230%0.296CS..Hα-helixtrans-66.5-42.4-172.4-172.90000111.9L2 R137 S142 W143L2-C139 HydrophobicContact CD1-CB 4.26Å; R137-C139 PolarHBondContact O-N 3.2Å; R137-C139 VanDerWaalsContact O-N 3.17Å; C139-S142 PolarHBondContact O-N 3.03Å; C139-W143 WeakPolarHBondContact O-CB 3.49Å; C139-W143 PolarHBondContact O-N 3.42Å
140V94.9Very high86.2Confident0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-67.3-43.8-179.6174.90000110.9F7 C10 L14 V54 N138 S142 W143 L144F7-V140 HydrophobicContact CD2-CG2 3.83Å; F7-V140 HydrophobicContact CE2-CG2 4.12Å; C10-V140 HydrophobicContact CB-CB 3.92Å; C10-V140 HydrophobicContact CB-CG2 3.53Å; L14-V140 HydrophobicContact CD2-CG1 4.07Å; V54-V140 HydrophobicContact CG1-CG1 4.01Å; N138-V140 PolarHBondContact OD1-N 2.89Å; V140-S142 VanDerWaalsContact C-N 3.35Å; V140-S142 PolarHBondContact O-N 3.47Å; V140-W143 HydrophobicContact CG1-CE3 4.36Å; V140-W143 PolarHBondContact O-N 2.93Å; V140-L144 HydrophobicContact CG1-CD1 4.35Å; V140-L144 WeakPolarHBondContact O-CG 3.32Å; V140-L144 PolarHBondContact O-N 3.35Å
141L94.5Very high86.1Confident12 Ų1251.8 Ų51.86%0.06328%0.277CS..Hα-helixtrans-62.2-43175176.159.1000111.7L14 K17 N138 W143 L144 S145 M155 M159 F160L14-L141 HydrophobicContact CD1-CB 4.36Å; L14-L141 HydrophobicContact CD1-CD1 3.89Å; K17-L141 HydrophobicContact CD-CD2 4.42Å; N138-L141 HydrophobicContact CB-CB 3.96Å; N138-L141 WeakPolarHBondContact OD1-CB 3.37Å; N138-L141 PolarHBondContact OD1-N 2.96Å; L141-W143 VanDerWaalsContact C-N 3.28Å; L141-W143 PolarHBondContact O-N 3.29Å; L141-L144 PolarHBondContact O-N 3.03Å; L141-S145 PolarHBondContact O-N 2.95Å; L141-M155 HydrophobicContact CD1-CE 3.73Å; L141-M159 HydrophobicContact CD1-CB 4.33Å; L141-M159 WeakPolarHBondContact CD2-O 3.36Å; L141-F160 HydrophobicContact CD1-CD1 3.96Å; L141-F160 HydrophobicContact CD1-CE1 3.45Å; L141-F160 VanDerWaalsContact CD1-CE1 3.45Å; L141-F160 HydrophobicContact CD1-CZ 4.23Å; L141-F160 HydrophobicContact CG-CD1 4.03Å; L141-F160 HydrophobicContact CG-CE1 3.91Å
142S92.1Very high86.1Confident12 Ų1245.6 Ų45.68%0.08425%0.248CC..Hα-helixtrans-66-33.3177.7-56.30000112L129 I133 N138 C139 V140 S145L129-S142 WeakPolarHBondContact CD1-O 3.37Å; I133-S142 WeakPolarHBondContact CD1-OG 3.29Å; N138-S142 WeakPolarHBondContact O-CB 3.34Å; N138-S142 PolarHBondContact O-N 3.13Å; N138-S142 PolarHBondContact O-OG 2.94Å; C139-S142 PolarHBondContact O-N 3.03Å; V140-S142 VanDerWaalsContact C-N 3.35Å; V140-S142 PolarHBondContact O-N 3.47Å; S142-S145 PolarHBondContact O-OG 3.42Å
143W93.2Very high86.5Confident3 Ų341.4 Ų41.41%0.01122%0.218CC..Hα-helixtrans-70.8-42.6172.416675.9000112.1V54 P63 L65 L126 L129 C139 V140 L141 S145 V146 V147V54-W143 HydrophobicContact CG1-CH2 4.29Å; V54-W143 HydrophobicContact CG1-CZ3 3.72Å; V54-W143 HydrophobicContact CG2-CZ3 4.12Å; P63-W143 HydrophobicContact CB-CD2 4.14Å; P63-W143 HydrophobicContact CB-CE3 3.88Å; P63-W143 HydrophobicContact CB-CH2 3.85Å; P63-W143 HydrophobicContact CB-CZ2 4.15Å; P63-W143 HydrophobicContact CB-CZ3 3.75Å; P63-W143 HydrophobicContact CG-CD2 3.58Å; P63-W143 HydrophobicContact CG-CE3 3.8Å; P63-W143 HydrophobicContact CG-CG 3.98Å; P63-W143 HydrophobicContact CG-CH2 4.23Å; P63-W143 HydrophobicContact CG-CZ2 4.07Å; P63-W143 HydrophobicContact CG-CZ3 4.14Å; L65-W143 HydrophobicContact CB-CH2 3.63Å; L65-W143 HydrophobicContact CB-CZ2 4.16Å; L126-W143 HydrophobicContact CD2-CB 3.78Å; L126-W143 HydrophobicContact CD2-CG 4.14Å; L129-W143 HydrophobicContact CD1-CB 4.22Å; C139-W143 WeakPolarHBondContact O-CB 3.49Å; C139-W143 PolarHBondContact O-N 3.42Å; V140-W143 HydrophobicContact CG1-CE3 4.36Å; V140-W143 PolarHBondContact O-N 2.93Å; L141-W143 VanDerWaalsContact C-N 3.28Å; L141-W143 PolarHBondContact O-N 3.29Å; W143-S145 PolarHBondContact O-N 3.29Å; W143-V146 WeakPolarHBondContact O-CB 3.41Å; W143-V146 PolarHBondContact O-N 2.86Å; W143-V147 HydrophobicContact CD2-CG2 3.9Å; W143-V147 HydrophobicContact CE3-CG2 4.26Å; W143-V147 HydrophobicContact CG-CG2 4.49Å; W143-V147 HydrophobicContact CH2-CG2 4.13Å; W143-V147 HydrophobicContact CZ2-CG2 3.72Å; W143-V147 HydrophobicContact CZ3-CG2 4.34Å; W143-V147 PolarHBondContact O-N 2.77Å
144L93.5Very high87.1Confident0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-58.8-33.8175-79.7172.4000112.3L14 W26 V54 L65 V140 L141 V146 V147 A148 M155L14-L144 HydrophobicContact CD2-CD1 3.55Å; W26-L144 HydrophobicContact CH2-CD1 4.44Å; W26-L144 HydrophobicContact CZ2-CD1 4.03Å; V54-L144 HydrophobicContact CG2-CD1 4.4Å; V54-L144 HydrophobicContact CG2-CD2 4.03Å; L65-L144 HydrophobicContact CD1-CD2 4.46Å; V140-L144 HydrophobicContact CG1-CD1 4.35Å; V140-L144 WeakPolarHBondContact O-CG 3.32Å; V140-L144 PolarHBondContact O-N 3.35Å; L141-L144 PolarHBondContact O-N 3.03Å; L144-V146 PolarHBondContact O-N 2.79Å; L144-V146 VanDerWaalsContact O-N 3.11Å; L144-V147 HydrophobicContact CD2-CG2 4.39Å; L144-V147 PolarHBondContact O-N 3.39Å; L144-A148 HydrophobicContact CD2-CB 4.42Å; L144-A148 WeakPolarHBondContact O-CB 2.94Å; L144-A148 PolarHBondContact O-N 2.91Å; L144-M155 HydrophobicContact CB-CE 4.36Å; L144-M155 HydrophobicContact CD1-CE 4.28Å
145S89.5Confident87.9Confident57 Ų5746.2 Ų46.240%0.39923%0.234SC..Hα-helixtrans-59.7-23.217683.10000113.5L141 S142 W143L141-S145 PolarHBondContact O-N 2.95Å; S142-S145 PolarHBondContact O-OG 3.42Å; W143-S145 PolarHBondContact O-N 3.29Å
146V86.5Confident88.9Confident65 Ų6538.3 Ų38.339%0.39420%0.199SC..Hα-helixtrans-93.1-39.7179.1-177.60000111.5I125 L129 W143 L144I125-V146 HydrophobicContact CD1-CG1 4.31Å; I125-V146 HydrophobicContact CG2-CB 4.2Å; I125-V146 HydrophobicContact CG2-CG1 4.08Å; I125-V146 HydrophobicContact CG2-CG2 4.21Å; L129-V146 HydrophobicContact CD1-CG2 4.25Å; L129-V146 HydrophobicContact CD2-CG2 4.2Å; W143-V146 WeakPolarHBondContact O-CB 3.41Å; W143-V146 PolarHBondContact O-N 2.86Å; L144-V146 PolarHBondContact O-N 2.79Å; L144-V146 VanDerWaalsContact O-N 3.11Å
147V87.7Confident89.5Confident10 Ų1036 Ų366%0.06119%0.194CC..Hα-helixtrans-103-20.8-167.6-56.50000114.8L65 L117 I125 W143 L144 V150L65-V147 HydrophobicContact CD2-CG2 4.15Å; L117-V147 HydrophobicContact CD1-CB 3.74Å; L117-V147 HydrophobicContact CD1-CG1 4.49Å; L117-V147 HydrophobicContact CD1-CG2 4.47Å; L117-V147 WeakPolarHBondContact CD1-O 3.47Å; I125-V147 HydrophobicContact CD1-CG1 4.14Å; W143-V147 HydrophobicContact CD2-CG2 3.9Å; W143-V147 HydrophobicContact CE3-CG2 4.26Å; W143-V147 HydrophobicContact CG-CG2 4.49Å; W143-V147 HydrophobicContact CH2-CG2 4.13Å; W143-V147 HydrophobicContact CZ2-CG2 3.72Å; W143-V147 HydrophobicContact CZ3-CG2 4.34Å; W143-V147 PolarHBondContact O-N 2.77Å; L144-V147 HydrophobicContact CD2-CG2 4.39Å; L144-V147 PolarHBondContact O-N 3.39Å; V147-V150 WeakPolarHBondContact O-CB 3.46Å; V147-V150 WeakPolarHBondContact O-CG2 3.31Å; V147-V150 PolarHBondContact O-N 2.96Å
148A89.7Confident89.8Confident1 Ų136.5 Ų36.51%0.00820%0.201CC..THydrogen-bonded Turntrans-66.3-42.5-171.900000112.5L144 V150 V151 G152 L153 M155L144-A148 HydrophobicContact CD2-CB 4.42Å; L144-A148 WeakPolarHBondContact O-CB 2.94Å; L144-A148 PolarHBondContact O-N 2.91Å; A148-V150 PolarHBondContact O-N 3.07Å; A148-V151 VanDerWaalsContact O-CG2 3.26Å; A148-V151 WeakPolarHBondContact O-CG2 3.07Å; A148-V151 PolarHBondContact O-N 3.38Å; A148-V151 VanDerWaalsContact O-N 3.1Å; A148-G152 PolarHBondContact O-N 2.82Å; A148-L153 CarbonylContact C-O 3.51Å; A148-L153 VanDerWaalsContact C-O 3.28Å; A148-L153 HydrophobicContact CB-CB 3.97Å; A148-L153 HydrophobicContact CB-CD2 3.85Å; A148-L153 HydrophobicContact CB-CG 3.88Å; A148-L153 VanDerWaalsContact CB-O 3.31Å; A148-L153 WeakPolarHBondContact CB-O 3.43Å; A148-L153 WeakPolarHBondContact O-CB 3.36Å; A148-L153 PolarHBondContact O-N 3.44Å; A148-M155 HydrophobicContact CB-CG 3.78Å; A148-M155 HydrophobicContact CB-SD 4.33Å
149S85.3Confident89.7Confident53 Ų5335.5 Ų35.537%0.37120%0.196SC..G310 helixtrans-61.6-29.2-179.957.60000113.1V151 G152S149-V151 PolarHBondContact O-N 3.43Å; S149-G152 PolarHBondContact O-N 3.45Å
150V81.8Confident89.3Confident6 Ų638.2 Ų38.24%0.03621%0.205CC..G310 helixtrans-59.2-32.3178.2-170.20000111.4V86 L94 L117 V147 A148V86-V150 WeakPolarHBondContact CG1-O 3.39Å; V86-V150 WeakPolarHBondContact CG2-O 3.41Å; L94-V150 HydrophobicContact CD1-CG1 3.97Å; L94-V150 HydrophobicContact CD2-CG1 4.14Å; L117-V150 HydrophobicContact CD1-CB 4.17Å; L117-V150 HydrophobicContact CD1-CG1 4.47Å; L117-V150 HydrophobicContact CD2-CB 4.29Å; L117-V150 HydrophobicContact CD2-CG1 3.73Å; V147-V150 WeakPolarHBondContact O-CB 3.46Å; V147-V150 WeakPolarHBondContact O-CG2 3.31Å; V147-V150 PolarHBondContact O-N 2.96Å; A148-V150 PolarHBondContact O-N 3.07Å
151V84.4Confident88.7Confident2 Ų241.7 Ų41.71%0.01223%0.229CC..G310 helixtrans-106.517.7180-57.80000112.4F52 L65 F67 L117 A148 S149 L153F52-V151 HydrophobicContact CD1-CG2 4.16Å; F52-V151 HydrophobicContact CE1-CG2 3.91Å; L65-V151 HydrophobicContact CD2-CG2 3.62Å; F67-V151 HydrophobicContact CD1-CB 4.25Å; F67-V151 HydrophobicContact CD1-CG1 3.88Å; F67-V151 HydrophobicContact CE1-CB 4.1Å; F67-V151 HydrophobicContact CE1-CG1 3.4Å; F67-V151 VanDerWaalsContact CE1-CG1 3.4Å; F67-V151 HydrophobicContact CE2-CB 4.38Å; F67-V151 HydrophobicContact CE2-CG1 4.41Å; F67-V151 HydrophobicContact CG-CB 4.47Å; F67-V151 HydrophobicContact CZ-CB 4.15Å; F67-V151 HydrophobicContact CZ-CG1 3.7Å; L117-V151 HydrophobicContact CD1-CG1 4.02Å; L117-V151 HydrophobicContact CD2-CG1 3.91Å; L117-V151 HydrophobicContact CG-CG1 3.83Å; A148-V151 VanDerWaalsContact O-CG2 3.26Å; A148-V151 WeakPolarHBondContact O-CG2 3.07Å; A148-V151 PolarHBondContact O-N 3.38Å; A148-V151 VanDerWaalsContact O-N 3.1Å; S149-V151 PolarHBondContact O-N 3.43Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 HydrophobicContact CG2-CB 4.12Å; V151-L153 PolarHBondContact O-N 2.93Å
152G84.7Confident87.3Confident14 Ų1447.8 Ų47.814%0.14426%0.257CS..THydrogen-bonded Turntrans6920.9179.800000114.5R50 A148 S149R50-G152 PolarHBondContact NH1-O 3.31Å; A148-G152 PolarHBondContact O-N 2.82Å; S149-G152 PolarHBondContact O-N 3.45Å
153L89.8Confident85.4Confident1 Ų158.6 Ų58.61%0.00531%0.306CS..  trans-89.9103.7172.917363.2000109.5F24 W26 F52 A148 V151 M155F24-L153 HydrophobicContact CE2-CD1 4.13Å; F24-L153 HydrophobicContact CZ-CD1 4.03Å; W26-L153 HydrophobicContact CH2-CD2 3.9Å; W26-L153 HydrophobicContact CZ2-CD2 3.84Å; F52-L153 HydrophobicContact CB-CD2 4.29Å; F52-L153 HydrophobicContact CD1-CB 4.11Å; F52-L153 HydrophobicContact CD1-CD2 4.13Å; F52-L153 HydrophobicContact CD2-CD1 4.02Å; F52-L153 HydrophobicContact CE1-CB 3.85Å; F52-L153 HydrophobicContact CE2-CD1 4.11Å; F52-L153 HydrophobicContact CG-CD1 4.27Å; F52-L153 HydrophobicContact CG-CD2 4.12Å; F52-L153 HydrophobicContact CZ-CB 4.09Å; F52-L153 HydrophobicContact CZ-CD1 4.44Å; A148-L153 CarbonylContact C-O 3.51Å; A148-L153 VanDerWaalsContact C-O 3.28Å; A148-L153 HydrophobicContact CB-CB 3.97Å; A148-L153 HydrophobicContact CB-CD2 3.85Å; A148-L153 HydrophobicContact CB-CG 3.88Å; A148-L153 VanDerWaalsContact CB-O 3.31Å; A148-L153 WeakPolarHBondContact CB-O 3.43Å; A148-L153 WeakPolarHBondContact O-CB 3.36Å; A148-L153 PolarHBondContact O-N 3.44Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 HydrophobicContact CG2-CB 4.12Å; V151-L153 PolarHBondContact O-N 2.93Å; L153-M155 HydrophobicContact CD2-SD 4.39Å; L153-M155 HydrophobicContact CG-SD 4.31Å; L153-M155 PolarHBondContact O-N 3.45Å
154E89.3Confident85Confident164 Ų16461.4 Ų61.477%0.76632%0.321SS*.  trans-87.4110.5-178.1-65-175.8176.800111.3F24F24-E154 WeakPolarHBondContact CE2-O 3.49Å; F24-E154 WeakPolarHBondContact CZ-O 3.44Å
155M91.4Very high84.6Confident25 Ų2564.6 Ų64.612%0.12334%0.338CS..  trans-84129.7-179.1-62.5-70.6-62.800111F24 W26 L141 L144 A148 L153 M157 M159 F160F24-M155 HydrophobicContact CE1-CE 4.02Å; F24-M155 HydrophobicContact CE1-SD 3.75Å; F24-M155 HydrophobicContact CZ-CE 4.41Å; F24-M155 HydrophobicContact CZ-CG 4.5Å; F24-M155 HydrophobicContact CZ-SD 3.53Å; F24-M155 VanDerWaalsContact CZ-SD 3.53Å; W26-M155 HydrophobicContact CZ2-SD 4.36Å; L141-M155 HydrophobicContact CD1-CE 3.73Å; L144-M155 HydrophobicContact CB-CE 4.36Å; L144-M155 HydrophobicContact CD1-CE 4.28Å; A148-M155 HydrophobicContact CB-CG 3.78Å; A148-M155 HydrophobicContact CB-SD 4.33Å; L153-M155 HydrophobicContact CD2-SD 4.39Å; L153-M155 HydrophobicContact CG-SD 4.31Å; L153-M155 PolarHBondContact O-N 3.45Å; M155-M157 PolarHBondContact O-N 3.17Å; M155-M159 HydrophobicContact CE-SD 3.84Å; M155-F160 HydrophobicContact CB-CE2 3.64Å; M155-F160 HydrophobicContact CB-CZ 3.53Å; M155-F160 HydrophobicContact CE-CZ 4.29Å; M155-F160 HydrophobicContact CG-CZ 4.02Å
156P92.7Very high84.3Confident29 Ų2965 Ų6519%0.18833%0.334CS..  trans-57.1125.2173.9-23.531.7000111.1F21 F24 Q158 M159F21-P156 HydrophobicContact CD1-CB 3.9Å; F21-P156 HydrophobicContact CD1-CG 4.22Å; F21-P156 HydrophobicContact CE1-CB 4.09Å; F24-P156 HydrophobicContact CB-CG 4.12Å; F24-P156 HydrophobicContact CD1-CG 3.62Å; F24-P156 HydrophobicContact CD2-CG 4Å; F24-P156 HydrophobicContact CE1-CG 4.09Å; F24-P156 HydrophobicContact CE2-CG 4.42Å; F24-P156 HydrophobicContact CG-CG 3.62Å; F24-P156 VanDerWaalsContact CZ-CD 3.47Å; F24-P156 HydrophobicContact CZ-CG 4.48Å; P156-Q158 PolarHBondContact O-N 3.06Å; P156-Q158 VanDerWaalsContact O-N 3.11Å; P156-M159 HydrophobicContact CB-CG 4.27Å; P156-M159 HydrophobicContact CG-SD 4.38Å; P156-M159 VanDerWaalsContact O-CB 3.3Å; P156-M159 WeakPolarHBondContact O-CB 3.46Å; P156-M159 PolarHBondContact O-N 2.93Å
157M89.2Confident84.2Confident152 Ų15265 Ų6575%0.74933%0.331SS*.G310 helixtrans-57.1-34.7-173.5-69.5-173.370.200113M155 M159 F160M155-M157 PolarHBondContact O-N 3.17Å; M157-M159 PolarHBondContact O-N 3.02Å; M157-F160 PolarHBondContact O-N 3.41Å
158Q91.1Very high83.9Confident122 Ų12268.4 Ų68.457%0.5735%0.348SS*.G310 helixtrans-65.2-19.6179.9-62.783.2-9.800112.9F21 P156 F160 C161F21-Q158 HydrophobicContact CE1-CB 3.79Å; F21-Q158 HydrophobicContact CZ-CB 3.93Å; P156-Q158 PolarHBondContact O-N 3.06Å; P156-Q158 VanDerWaalsContact O-N 3.11Å; Q158-F160 PolarHBondContact O-N 3.09Å; Q158-C161 WeakPolarHBondContact O-CB 3.37Å; Q158-C161 PolarHBondContact O-N 2.71Å
159M89.3Confident83.6Confident0 Ų072.9 Ų72.90%037%0.37CS..G310 helixtrans-62.4-27.9171.1-73-171.3146.600111.9K17 S18 F21 F24 L141 M155 P156 M157K17-M159 VanDerWaalsContact CE-O 3.24Å; K17-M159 WeakPolarHBondContact CE-O 3.4Å; K17-M159 PolarHBondContact NZ-O 2.98Å; S18-M159 VanDerWaalsContact CA-CE 3.41Å; S18-M159 VanDerWaalsContact CB-CE 3.49Å; F21-M159 HydrophobicContact CB-CE 4.43Å; F21-M159 HydrophobicContact CD2-CE 3.54Å; F21-M159 HydrophobicContact CD2-CG 3.87Å; F21-M159 HydrophobicContact CE1-CG 4.3Å; F21-M159 HydrophobicContact CE2-CE 4.04Å; F21-M159 HydrophobicContact CE2-CG 3.5Å; F21-M159 VanDerWaalsContact CE2-CG 3.5Å; F21-M159 HydrophobicContact CG-CE 4.11Å; F21-M159 HydrophobicContact CG-CG 4.4Å; F21-M159 HydrophobicContact CZ-CG 3.73Å; F24-M159 HydrophobicContact CD1-CE 3.63Å; F24-M159 HydrophobicContact CD1-SD 3.8Å; F24-M159 HydrophobicContact CE1-CE 4.06Å; F24-M159 HydrophobicContact CE1-SD 3.72Å; L141-M159 HydrophobicContact CD1-CB 4.33Å; L141-M159 WeakPolarHBondContact CD2-O 3.36Å; M155-M159 HydrophobicContact CE-SD 3.84Å; P156-M159 HydrophobicContact CB-CG 4.27Å; P156-M159 HydrophobicContact CG-SD 4.38Å; P156-M159 VanDerWaalsContact O-CB 3.3Å; P156-M159 WeakPolarHBondContact O-CB 3.46Å; P156-M159 PolarHBondContact O-N 2.93Å; M157-M159 PolarHBondContact O-N 3.02Å
160F84.9Confident83.4Confident75 Ų7574.4 Ų74.433%0.32937%0.37SS..G310 helixtrans-88.8-6.1179.4-52.3-66.7000113.5L141 M155 M157 Q158L141-F160 HydrophobicContact CD1-CD1 3.96Å; L141-F160 HydrophobicContact CD1-CE1 3.45Å; L141-F160 VanDerWaalsContact CD1-CE1 3.45Å; L141-F160 HydrophobicContact CD1-CZ 4.23Å; L141-F160 HydrophobicContact CG-CD1 4.03Å; L141-F160 HydrophobicContact CG-CE1 3.91Å; M155-F160 HydrophobicContact CB-CE2 3.64Å; M155-F160 HydrophobicContact CB-CZ 3.53Å; M155-F160 HydrophobicContact CE-CZ 4.29Å; M155-F160 HydrophobicContact CG-CZ 4.02Å; M157-F160 PolarHBondContact O-N 3.41Å; Q158-F160 PolarHBondContact O-N 3.09Å
161C82.5Confident83.6Confident73 Ų7379.6 Ų79.649%0.49340%0.396SS..SBendtrans-68.9136.8172.4-65.20000110.3K17 Q158K17-C161 PolarHBondContact NZ-O 2.68Å; Q158-C161 WeakPolarHBondContact O-CB 3.37Å; Q158-C161 PolarHBondContact O-N 2.71Å
162E64.6Low83.5Confident139 Ų13986.1 Ų86.165%0.6543%0.428SS*.  trans-68.2127.6168.2-63.6-179.5176.300107.9R137R137-E162 IonicContact CZ-OE1 2.73Å; R137-E162 VanDerWaalsContact CZ-OE1 3.29Å; R137-E162 IonicContact NE-OE1 2.65Å; R137-E162 PolarHBondContact NE-OE1 2.89Å; R137-E162 IonicContact NH2-OE1 3.04Å; R137-E162 PolarHBondContact NH2-OE1 2.76Å
163Q52.4Low83.4Confident239 Ų23992.6 Ų92.6100%1.11745%0.454SS*.  trans-105.20165.3-73.6-176.3-2500108.1

Retrieved 163 of 163 residues in 112.4 ms (Link to these results)

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