A0A3Q0KL76_SCHMA Loading...

VWFA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KL76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,118 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
1M43Very low52.7Low138 Ų13892.5 Ų92.568%0.6847%0.47SS*.  0-79.80-87.5-157.7-77.800112.9E3 E4 L5M1-E3 PolarHBondContact O-N 3.21Å; M1-E3 VanDerWaalsContact O-N 3.14Å; M1-E4 WeakPolarHBondContact O-CA 3.48Å; M1-E4 PolarHBondContact O-N 2.96Å; M1-L5 PolarHBondContact O-N 3.44Å
2N46.4Very low52.1Low138 Ų13893.8 Ų93.874%0.73848%0.478SS*.Hα-helixtrans-55.8-37-174.4-71.15.7000114.1E4 L5 S6N2-E4 VanDerWaalsContact C-N 3.33Å; N2-E4 PolarHBondContact O-N 3.36Å; N2-L5 PolarHBondContact O-N 3.18Å; N2-S6 PolarHBondContact O-N 3.09Å
3E54.8Low51.4Low152 Ų15299.7 Ų99.771%0.7150%0.498SS*.Hα-helixtrans-66.8-29.6174.8-128.8179.2174.300113.9M1 S6 K7M1-E3 PolarHBondContact O-N 3.21Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-S6 PolarHBondContact O-OG 2.75Å; E3-K7 WeakPolarHBondContact O-CG 3.48Å; E3-K7 PolarHBondContact O-N 2.8Å
4E54.8Low50.6Low57 Ų5794.9 Ų94.927%0.26649%0.486SS..Hα-helixtrans-83.4-34.4175.9-61.8-163.9142.400111.3M1 N2 S6 K7 I8M1-E4 WeakPolarHBondContact O-CA 3.48Å; M1-E4 PolarHBondContact O-N 2.96Å; N2-E4 VanDerWaalsContact C-N 3.33Å; N2-E4 PolarHBondContact O-N 3.36Å; E4-S6 VanDerWaalsContact C-N 3.32Å; E4-S6 PolarHBondContact O-N 2.99Å; E4-K7 WeakPolarHBondContact O-CB 3.29Å; E4-K7 PolarHBondContact O-N 3.16Å; E4-I8 WeakPolarHBondContact O-CG1 3.13Å; E4-I8 PolarHBondContact O-N 3.47Å
5L54.6Low50.5Low56 Ų5697.6 Ų97.629%0.29350%0.502SS..Hα-helixtrans-61.6-39.8170.2-68.6168.4000111.3M1 N2 I8 E9 T186M1-L5 PolarHBondContact O-N 3.44Å; N2-L5 PolarHBondContact O-N 3.18Å; L5-I8 PolarHBondContact O-N 3.15Å; L5-E9 PolarHBondContact O-N 2.95Å; L5-T186 HydrophobicContact CD2-CG2 4.36Å
6S57Low51Low64 Ų6494.4 Ų94.445%0.44849%0.491SS..Hα-helixtrans-68.9-33.2174.574.10000113N2 E3 E4 E9 S10N2-S6 PolarHBondContact O-N 3.09Å; E3-S6 PolarHBondContact O-OG 2.75Å; E4-S6 VanDerWaalsContact C-N 3.32Å; E4-S6 PolarHBondContact O-N 2.99Å; S6-E9 PolarHBondContact O-N 3.38Å; S6-S10 PolarHBondContact O-N 3.19Å; S6-S10 VanDerWaalsContact O-N 3.09Å; S6-S10 PolarHBondContact O-OG 3.06Å
7K57.1Low51.6Low109 Ų10991 Ų9147%0.47448%0.48SS..Hα-helixtrans-60.9-48.8169.9-73.5171.5-173.7176.30110.6E3 E4 E9 S10 F11E3-K7 WeakPolarHBondContact O-CG 3.48Å; E3-K7 PolarHBondContact O-N 2.8Å; E4-K7 WeakPolarHBondContact O-CB 3.29Å; E4-K7 PolarHBondContact O-N 3.16Å; K7-E9 PolarHBondContact O-N 3.09Å; K7-S10 PolarHBondContact O-N 3.32Å; K7-S10 VanDerWaalsContact O-N 3.08Å; K7-S10 PolarHBondContact O-OG 3.03Å; K7-F11 WeakPolarHBondContact O-CD2 3.21Å; K7-F11 PolarHBondContact O-N 3.45Å
8I54.7Low52.2Low10 Ų1087.1 Ų87.15%0.05146%0.46CS..Hα-helixtrans-56.1-47177.2-67.3162.7000111.1E4 L5 S10 F11 L12E4-I8 WeakPolarHBondContact O-CG1 3.13Å; E4-I8 PolarHBondContact O-N 3.47Å; L5-I8 PolarHBondContact O-N 3.15Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.44Å; I8-F11 PolarHBondContact O-N 3.26Å; I8-L12 HydrophobicContact CG2-CD1 4.04Å; I8-L12 WeakPolarHBondContact O-CG 3.17Å; I8-L12 PolarHBondContact O-N 2.75Å
9E51Low52.8Low126 Ų12685.8 Ų85.859%0.58945%0.453SS*.Hα-helixtrans-64.3-28.5177.3-73.6-168.1177.900114.7L5 S6 K7L5-E9 PolarHBondContact O-N 2.95Å; S6-E9 PolarHBondContact O-N 3.38Å; K7-E9 PolarHBondContact O-N 3.09Å
10S54.4Low53.5Low70 Ų7086.4 Ų86.449%0.4945%0.449SS..Hα-helixtrans-80.6-37.8178.764.40000112.7S6 K7 I8 K13S6-S10 PolarHBondContact O-N 3.19Å; S6-S10 VanDerWaalsContact O-N 3.09Å; S6-S10 PolarHBondContact O-OG 3.06Å; K7-S10 PolarHBondContact O-N 3.32Å; K7-S10 VanDerWaalsContact O-N 3.08Å; K7-S10 PolarHBondContact O-OG 3.03Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.44Å; S10-K13 PolarHBondContact O-N 3.35Å
11F51.8Low54.3Low98 Ų9885.1 Ų85.143%0.4344%0.441SS..Hα-helixtrans-65.3-37.5175.4-90.7-83.2000112.6K7 I8 K13 G14K7-F11 WeakPolarHBondContact O-CD2 3.21Å; K7-F11 PolarHBondContact O-N 3.45Å; I8-F11 PolarHBondContact O-N 3.26Å; F11-K13 PolarHBondContact O-N 3Å; F11-G14 PolarHBondContact O-N 3.2Å
12L46.1Very low56Low108 Ų10881.2 Ų81.257%0.56542%0.423SS*.THydrogen-bonded Turntrans-65-6.8176.2-71.7168.8000114.6I8I8-L12 HydrophobicContact CG2-CD1 4.04Å; I8-L12 WeakPolarHBondContact O-CG 3.17Å; I8-L12 PolarHBondContact O-N 2.75Å
13K43.2Very low57.7Low170 Ų17076.1 Ų76.174%0.73940%0.398SS*.THydrogen-bonded Turntrans-109.54.7-178.1-73.5173.6179.9159.80114.6S10 F11S10-K13 PolarHBondContact O-N 3.35Å; F11-K13 PolarHBondContact O-N 3Å
14G39.5Very low59.2Low32 Ų3268.9 Ų68.933%0.3336%0.364SS..  trans-110.660.7-16800000116.7F11 S16 N19F11-G14 PolarHBondContact O-N 3.2Å; G14-S16 PolarHBondContact O-N 3.05Å; G14-N19 PolarHBondContact O-ND2 2.94Å; G14-N19 VanDerWaalsContact O-ND2 3.13Å
15D49.7Very low60.8Low136 Ų13673.4 Ų73.473%0.72738%0.379SS*.  trans-74.662178.4-164.116.3000112.8R20D15-R20 IonicContact OD1-NE 3.84Å
16S58.3Low62.3Low46 Ų4672.3 Ų72.332%0.32238%0.378SS..  trans-84.1151.8172.687.30000110.7G14 V18 N19G14-S16 PolarHBondContact O-N 3.05Å; S16-V18 PolarHBondContact O-N 3.37Å; S16-V18 VanDerWaalsContact O-N 3.07Å; S16-V18 PolarHBondContact OG-N 3.25Å; S16-N19 PolarHBondContact O-N 3.2Å; S16-N19 VanDerWaalsContact O-N 3.09Å; S16-N19 WeakPolarHBondContact OG-CB 3.12Å; S16-N19 PolarHBondContact OG-N 3.47Å; S16-N19 VanDerWaalsContact OG-N 3.17Å; S16-N19 PolarHBondContact OG-ND2 2.8Å; S16-N19 PolarHBondContact OG-OD1 3.46Å
17A60.8Low63.8Low37 Ų3769.3 Ų69.331%0.30636%0.357SS..THydrogen-bonded Turntrans-57.8-24.4176.100000113.4W27 Y31A17-W27 PolarHBondContact O-NE1 2.91Å; A17-Y31 HydrophobicContact CB-CE1 4.12Å
18V63Low65.3Low20 Ų2065.3 Ų65.312%0.12134%0.341CS..THydrogen-bonded Turntrans-78-37.8178.6178.30000111.7S16 R20 L106 D109 R110 W113S16-V18 PolarHBondContact O-N 3.37Å; S16-V18 VanDerWaalsContact O-N 3.07Å; S16-V18 PolarHBondContact OG-N 3.25Å; V18-R20 PolarHBondContact O-N 3.14Å; V18-L106 HydrophobicContact CG2-CD1 3.91Å; V18-D109 HydrophobicContact CG1-CB 4.27Å; V18-D109 WeakPolarHBondContact CG1-O 3.49Å; V18-D109 HydrophobicContact CG2-CB 3.89Å; V18-R110 PolarHBondContact O-NH1 3.34Å; V18-W113 HydrophobicContact CG1-CB 3.71Å; V18-W113 HydrophobicContact CG1-CG 4.1Å
19N62.9Low66.9Low63 Ų6370.8 Ų70.834%0.33737%0.37SS..THydrogen-bonded Turntrans-83.9-3.6-167.9-70.5-8.1000115.4G14 S16 Q21 W113G14-N19 PolarHBondContact O-ND2 2.94Å; G14-N19 VanDerWaalsContact O-ND2 3.13Å; S16-N19 PolarHBondContact O-N 3.2Å; S16-N19 VanDerWaalsContact O-N 3.09Å; S16-N19 WeakPolarHBondContact OG-CB 3.12Å; S16-N19 PolarHBondContact OG-N 3.47Å; S16-N19 VanDerWaalsContact OG-N 3.17Å; S16-N19 PolarHBondContact OG-ND2 2.8Å; S16-N19 PolarHBondContact OG-OD1 3.46Å; N19-Q21 PolarHBondContact O-N 2.62Å; N19-W113 VanDerWaalsContact OD1-CD1 3.25Å; N19-W113 PolarHBondContact OD1-NE1 2.74Å
20R66.5Low68.4Low97 Ų9769.5 Ų69.537%0.36637%0.365SS..  trans-62.8127.6-178.4-67.5-177.5169.9-177.2-5.1111D15 V18 L22 R110D15-R20 IonicContact OD1-NE 3.84Å; V18-R20 PolarHBondContact O-N 3.14Å; R20-L22 HydrophobicContact CB-CD1 4.08Å; R20-L22 HydrophobicContact CB-CG 4.1Å; R20-L22 PolarHBondContact O-N 3.47Å; R20-R110 PolarHBondContact O-NH1 2.72Å
21Q70.8Confident70Confident60 Ų6068.5 Ų68.528%0.2835%0.351SS..  trans-71.545.6173.8-69.5-178.8-3500112.8N19 Q158 N161N19-Q21 PolarHBondContact O-N 2.62Å; Q21-Q158 PolarHBondContact NE2-O 3.09Å; Q21-N161 PolarHBondContact NE2-ND2 3.19Å
22L77.7Confident71.8Confident56 Ų5663.9 Ų63.929%0.29333%0.331SS..  trans-89.5151.1171-65.5171.3000109.7R20 A26 W27 M30 R110R20-L22 HydrophobicContact CB-CD1 4.08Å; R20-L22 HydrophobicContact CB-CG 4.1Å; R20-L22 PolarHBondContact O-N 3.47Å; L22-A26 HydrophobicContact CB-CB 4.43Å; L22-W27 HydrophobicContact CB-CB 4.32Å; L22-M30 HydrophobicContact CD1-SD 4.36Å; L22-R110 PolarHBondContact O-NH2 3.2Å
23S82.8Confident73.8Confident32 Ų3258.8 Ų58.822%0.22431%0.305CS..  trans-58.9150.1166.173.60000111.1R25 A26 W27S23-R25 PolarHBondContact O-N 2.73Å; S23-A26 PolarHBondContact O-N 2.8Å; S23-A26 VanDerWaalsContact OG-CB 3.28Å; S23-A26 WeakPolarHBondContact OG-CB 3.43Å; S23-A26 PolarHBondContact OG-N 3.13Å; S23-A26 VanDerWaalsContact OG-N 3.09Å; S23-W27 WeakPolarHBondContact O-CB 3.27Å; S23-W27 PolarHBondContact O-N 3.42Å
24S86.9Confident75.9Confident0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-62.4-31.6-179.3-54.90000111.9W27 L28 D326S24-W27 PolarHBondContact O-N 2.81Å; S24-L28 VanDerWaalsContact O-CB 3.27Å; S24-L28 WeakPolarHBondContact O-CB 3.4Å; S24-L28 VanDerWaalsContact O-CG 3.24Å; S24-L28 WeakPolarHBondContact O-CG 3.17Å; S24-L28 PolarHBondContact O-N 2.66Å; S24-D326 WeakPolarHBondContact CB-OD1 3.09Å; S24-D326 PolarHBondContact N-OD1 3.33Å; S24-D326 VanDerWaalsContact N-OD1 3.1Å; S24-D326 WeakPolarHBondContact OG-CB 3.32Å; S24-D326 VanDerWaalsContact OG-CG 3.28Å; S24-D326 PolarHBondContact OG-O 2.99Å; S24-D326 PolarHBondContact OG-OD1 2.95Å
25R87.8Confident78Confident151 Ų15161.3 Ų61.357%0.5731%0.311SS*.Hα-helixtrans-63.5-45.5171.7-61.1-178.5-173.1168.1-1.8112.6S23 N29 E325 L329S23-R25 PolarHBondContact O-N 2.73Å; R25-N29 PolarHBondContact O-N 3.11Å; R25-N29 PolarHBondContact O-ND2 3.19Å; R25-E325 IonicContact CZ-OE1 2.68Å; R25-E325 IonicContact NE-OE1 2.65Å; R25-E325 PolarHBondContact NE-OE1 3.45Å; R25-E325 IonicContact NH2-OE1 2.66Å; R25-E325 PolarHBondContact NH2-OE1 3.11Å; R25-E325 IonicContact NH2-OE2 3.59Å; R25-L329 HydrophobicContact CG-CD1 3.69Å
26A85.8Confident79.6Confident34 Ų3458.7 Ų58.728%0.28130%0.297SS..Hα-helixtrans-68.8-36.9177.700000112.1L22 S23 N29 M30L22-A26 HydrophobicContact CB-CB 4.43Å; S23-A26 PolarHBondContact O-N 2.8Å; S23-A26 VanDerWaalsContact OG-CB 3.28Å; S23-A26 WeakPolarHBondContact OG-CB 3.43Å; S23-A26 PolarHBondContact OG-N 3.13Å; S23-A26 VanDerWaalsContact OG-N 3.09Å; A26-N29 PolarHBondContact O-N 3.42Å; A26-M30 PolarHBondContact O-N 2.66Å
27W88.8Confident80.9Confident0 Ų063.8 Ų63.80%031%0.313CS..Hα-helixtrans-65.7-45.1174.9-169.795.6000111.3A17 L22 S23 S24 N29 M30 Y31 L106 Y107 R110 I330A17-W27 PolarHBondContact O-NE1 2.91Å; L22-W27 HydrophobicContact CB-CB 4.32Å; S23-W27 WeakPolarHBondContact O-CB 3.27Å; S23-W27 PolarHBondContact O-N 3.42Å; S24-W27 PolarHBondContact O-N 2.81Å; W27-N29 VanDerWaalsContact C-N 3.32Å; W27-N29 PolarHBondContact O-N 3.01Å; W27-M30 PolarHBondContact O-N 3.34Å; W27-Y31 AromaticContact CD1-CD2 3.88Å; W27-Y31 AromaticContact CD1-CE2 3.95Å; W27-Y31 AromaticContact CD2-CD2 3.7Å; W27-Y31 HydrophobicContact CD2-CD2 3.7Å; W27-Y31 HydrophobicContact CD2-CG 4.45Å; W27-Y31 AromaticContact CE2-CD2 3.45Å; W27-Y31 VanDerWaalsContact CE2-CD2 3.45Å; W27-Y31 HydrophobicContact CE3-CD2 4.33Å; W27-Y31 AromaticContact CG-CD2 3.96Å; W27-Y31 HydrophobicContact CG-CD2 3.96Å; W27-Y31 HydrophobicContact CG-CE2 4.44Å; W27-Y31 HydrophobicContact CH2-CD2 4.46Å; W27-Y31 HydrophobicContact CH2-CG 4.36Å; W27-Y31 AromaticContact CZ2-CD2 3.87Å; W27-Y31 HydrophobicContact CZ2-CD2 3.87Å; W27-Y31 HydrophobicContact CZ2-CG 4.08Å; W27-Y31 AromaticContact NE1-CD2 3.55Å; W27-Y31 AromaticContact NE1-CE2 3.66Å; W27-Y31 WeakPolarHBondContact O-CD2 3.48Å; W27-Y31 PolarHBondContact O-N 2.78Å; W27-L106 HydrophobicContact CH2-CD2 3.9Å; W27-L106 HydrophobicContact CH2-CG 3.81Å; W27-L106 HydrophobicContact CZ2-CD1 4.35Å; W27-L106 HydrophobicContact CZ2-CD2 4.01Å; W27-L106 HydrophobicContact CZ2-CG 3.88Å; W27-Y107 AromaticContact CH2-CD1 3.73Å; W27-Y107 HydrophobicContact CH2-CD1 3.73Å; W27-Y107 HydrophobicContact CH2-CE1 4.09Å; W27-Y107 AromaticContact CZ3-CD1 3.62Å; W27-Y107 HydrophobicContact CZ3-CD1 3.62Å; W27-Y107 AromaticContact CZ3-CE1 3.79Å; W27-Y107 HydrophobicContact CZ3-CE1 3.79Å; W27-R110 HydrophobicContact CD2-CG 4.12Å; W27-R110 HydrophobicContact CE3-CG 4.17Å; W27-R110 HydrophobicContact CH2-CB 3.85Å; W27-R110 HydrophobicContact CH2-CG 4.05Å; W27-R110 HydrophobicContact CZ2-CB 3.9Å; W27-R110 HydrophobicContact CZ2-CG 3.98Å; W27-R110 HydrophobicContact CZ3-CB 4.34Å; W27-R110 HydrophobicContact CZ3-CG 4.14Å; W27-I330 HydrophobicContact CE3-CD1 3.75Å; W27-I330 HydrophobicContact CZ3-CD1 3.93Å
28L89.5Confident82.1Confident26 Ų2662.6 Ų62.614%0.13630%0.302CS..Hα-helixtrans-64.9-30.1173.5-75.4172.6000113.2S24 M30 G32 Y107 L329 I330 E333S24-L28 VanDerWaalsContact O-CB 3.27Å; S24-L28 WeakPolarHBondContact O-CB 3.4Å; S24-L28 VanDerWaalsContact O-CG 3.24Å; S24-L28 WeakPolarHBondContact O-CG 3.17Å; S24-L28 PolarHBondContact O-N 2.66Å; L28-M30 PolarHBondContact O-N 2.89Å; L28-G32 WeakPolarHBondContact O-CA 3.31Å; L28-G32 PolarHBondContact O-N 3.14Å; L28-Y107 HydrophobicContact CD2-CE1 4.28Å; L28-L329 HydrophobicContact CD1-CB 4.23Å; L28-I330 HydrophobicContact CD1-CD1 4.1Å; L28-I330 HydrophobicContact CD2-CD1 3.95Å; L28-I330 HydrophobicContact CG-CD1 3.81Å; L28-E333 HydrophobicContact CD2-CB 3.97Å; L28-E333 HydrophobicContact CD2-CG 3.83Å
29N87.1Confident83.2Confident124 Ų12462.7 Ų62.766%0.66330%0.302SS*.Hα-helixtrans-63.8-26.5171.3-76.6-25.7000112.8R25 A26 W27 N35R25-N29 PolarHBondContact O-N 3.11Å; R25-N29 PolarHBondContact O-ND2 3.19Å; A26-N29 PolarHBondContact O-N 3.42Å; W27-N29 VanDerWaalsContact C-N 3.32Å; W27-N29 PolarHBondContact O-N 3.01Å; N29-N35 PolarHBondContact O-ND2 3.41Å
30M84.2Confident84.3Confident99 Ų9960.6 Ų60.649%0.48829%0.289SS..Hα-helixtrans-87.3-49.9173.4-67.9-170.616900112.3L22 A26 W27 L28 N35L22-M30 HydrophobicContact CD1-SD 4.36Å; A26-M30 PolarHBondContact O-N 2.66Å; W27-M30 PolarHBondContact O-N 3.34Å; L28-M30 PolarHBondContact O-N 2.89Å; M30-N35 PolarHBondContact O-ND2 3.02Å
31Y87.5Confident85.1Confident50 Ų5059 Ų5920%0.19629%0.293CS..Hα-helixtrans-105.9-9.1-167-59.4-74.2000114.9A17 W27 N36 L106 Y107A17-Y31 HydrophobicContact CB-CE1 4.12Å; W27-Y31 AromaticContact CD1-CD2 3.88Å; W27-Y31 AromaticContact CD1-CE2 3.95Å; W27-Y31 AromaticContact CD2-CD2 3.7Å; W27-Y31 HydrophobicContact CD2-CD2 3.7Å; W27-Y31 HydrophobicContact CD2-CG 4.45Å; W27-Y31 AromaticContact CE2-CD2 3.45Å; W27-Y31 VanDerWaalsContact CE2-CD2 3.45Å; W27-Y31 HydrophobicContact CE3-CD2 4.33Å; W27-Y31 AromaticContact CG-CD2 3.96Å; W27-Y31 HydrophobicContact CG-CD2 3.96Å; W27-Y31 HydrophobicContact CG-CE2 4.44Å; W27-Y31 HydrophobicContact CH2-CD2 4.46Å; W27-Y31 HydrophobicContact CH2-CG 4.36Å; W27-Y31 AromaticContact CZ2-CD2 3.87Å; W27-Y31 HydrophobicContact CZ2-CD2 3.87Å; W27-Y31 HydrophobicContact CZ2-CG 4.08Å; W27-Y31 AromaticContact NE1-CD2 3.55Å; W27-Y31 AromaticContact NE1-CE2 3.66Å; W27-Y31 WeakPolarHBondContact O-CD2 3.48Å; W27-Y31 PolarHBondContact O-N 2.78Å; Y31-N36 PolarHBondContact O-ND2 3.08Å; Y31-L106 HydrophobicContact CD1-CD2 3.89Å; Y31-L106 HydrophobicContact CG-CD2 4.09Å; Y31-Y107 PolarHBondContact O-OH 3.25Å
32G88.1Confident85.8Confident1 Ų157.6 Ų57.61%0.0129%0.29CS..SBendtrans-63.9164.3-176.700000115L28 K34 N35 N36 Y107L28-G32 WeakPolarHBondContact O-CA 3.31Å; L28-G32 PolarHBondContact O-N 3.14Å; G32-K34 PolarHBondContact O-N 3.33Å; G32-N35 PolarHBondContact O-N 3.37Å; G32-N36 PolarHBondContact O-N 3.43Å; G32-N36 PolarHBondContact O-ND2 2.82Å; G32-Y107 VanDerWaalsContact CA-OH 3.27Å; G32-Y107 WeakPolarHBondContact CA-OH 3.44Å
33L89.6Confident86.2Confident1 Ų155.1 Ų55.11%0.00528%0.277CS..THydrogen-bonded Turntrans-63.5-41.7-171.6-65.3173.6000111.9N36 K37 I38 D39 A103 Y107 E333 E336 A337L33-N36 PolarHBondContact O-N 3.23Å; L33-K37 PolarHBondContact O-N 3.28Å; L33-K37 VanDerWaalsContact O-N 3.07Å; L33-I38 HydrophobicContact CD2-CB 4.35Å; L33-I38 PolarHBondContact O-N 3.08Å; L33-D39 HydrophobicContact CB-CB 4.35Å; L33-D39 PolarHBondContact O-N 3.04Å; L33-A103 HydrophobicContact CD2-CB 4.33Å; L33-Y107 HydrophobicContact CD2-CE2 4.08Å; L33-Y107 HydrophobicContact CG-CE2 4.18Å; L33-Y107 WeakPolarHBondContact CG-OH 3.25Å; L33-Y107 PolarHBondContact N-OH 3.26Å; L33-Y107 VanDerWaalsContact N-OH 3.14Å; L33-E333 WeakPolarHBondContact CB-OE1 3.28Å; L33-E333 HydrophobicContact CD1-CG 4.08Å; L33-E333 HydrophobicContact CG-CG 3.95Å; L33-E333 PolarHBondContact N-OE1 3.15Å; L33-E336 HydrophobicContact CD1-CB 4.01Å; L33-E336 HydrophobicContact CD1-CG 3.76Å; L33-A337 HydrophobicContact CD1-CB 4.15Å; L33-A337 HydrophobicContact CD2-CB 4.09Å
34K86.2Confident86.3Confident153 Ų15353.7 Ų53.767%0.66527%0.267SS*.THydrogen-bonded Turntrans-63-45-179.9-67.3170.8-175.31590112.2G32 N36 K37 D39G32-K34 PolarHBondContact O-N 3.33Å; K34-N36 VanDerWaalsContact C-N 3.33Å; K34-N36 PolarHBondContact O-N 2.76Å; K34-K37 PolarHBondContact O-N 3.16Å; K34-K37 VanDerWaalsContact O-N 3.16Å; K34-D39 HydrophobicContact CG-CB 3.94Å
35N84.2Confident86.1Confident101 Ų10160.2 Ų60.254%0.5430%0.297SS..THydrogen-bonded Turntrans-65.5-39.4-179.8-169.647.3000111.2N29 M30 G32 K37N29-N35 PolarHBondContact O-ND2 3.41Å; M30-N35 PolarHBondContact O-ND2 3.02Å; G32-N35 PolarHBondContact O-N 3.37Å; N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 2.81Å
36N83.9Confident85.9Confident82 Ų8257.5 Ų57.544%0.43929%0.294SS..THydrogen-bonded Turntrans-78-2.4176.6-73.9-51.2000114.6Y31 G32 L33 K34 I38Y31-N36 PolarHBondContact O-ND2 3.08Å; G32-N36 PolarHBondContact O-N 3.43Å; G32-N36 PolarHBondContact O-ND2 2.82Å; L33-N36 PolarHBondContact O-N 3.23Å; K34-N36 VanDerWaalsContact C-N 3.33Å; K34-N36 PolarHBondContact O-N 2.76Å; N36-I38 VanDerWaalsContact C-N 3.26Å; N36-I38 HydrophobicContact CB-CD1 3.84Å; N36-I38 HydrophobicContact CB-CG1 3.77Å; N36-I38 VanDerWaalsContact O-CG1 3.32Å; N36-I38 WeakPolarHBondContact O-CG1 3.15Å; N36-I38 PolarHBondContact O-N 3.25Å
37K84.5Confident85.9Confident152 Ų15255.9 Ų55.966%0.66128%0.281SS*.THydrogen-bonded Turntrans57.734.9-174.7-54.4-177.3180-178.20113.8L33 K34 N35L33-K37 PolarHBondContact O-N 3.28Å; L33-K37 VanDerWaalsContact O-N 3.07Å; K34-K37 PolarHBondContact O-N 3.16Å; K34-K37 VanDerWaalsContact O-N 3.16Å; N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 2.81Å
38I87Confident85.6Confident13 Ų1356.2 Ų56.27%0.06728%0.284CS..  trans-113.914.5177.1-31.4178.7000110.3L33 N36 V43 L96 K99 I100 L340L33-I38 HydrophobicContact CD2-CB 4.35Å; L33-I38 PolarHBondContact O-N 3.08Å; N36-I38 VanDerWaalsContact C-N 3.26Å; N36-I38 HydrophobicContact CB-CD1 3.84Å; N36-I38 HydrophobicContact CB-CG1 3.77Å; N36-I38 VanDerWaalsContact O-CG1 3.32Å; N36-I38 WeakPolarHBondContact O-CG1 3.15Å; N36-I38 PolarHBondContact O-N 3.25Å; I38-V43 HydrophobicContact CG2-CG2 4.23Å; I38-L96 HydrophobicContact CG2-CD1 3.98Å; I38-K99 HydrophobicContact CD1-CB 3.9Å; I38-K99 HydrophobicContact CD1-CD 4.45Å; I38-I100 HydrophobicContact CG2-CD1 4.27Å; I38-I100 HydrophobicContact CG2-CG1 3.42Å; I38-I100 VanDerWaalsContact CG2-CG1 3.42Å; I38-L340 WeakPolarHBondContact O-CD2 3.49Å
39D86.3Confident85.4Confident21 Ų2159 Ų5911%0.11230%0.295CS..SBendtrans-67.5155.9168.968.1-84.7000111.2L33 K34 S41 S42 V43L33-D39 HydrophobicContact CB-CB 4.35Å; L33-D39 PolarHBondContact O-N 3.04Å; K34-D39 HydrophobicContact CG-CB 3.94Å; D39-S41 PolarHBondContact O-N 2.76Å; D39-S41 WeakPolarHBondContact OD2-CB 3.31Å; D39-S41 PolarHBondContact OD2-N 3.43Å; D39-S41 VanDerWaalsContact OD2-N 3.11Å; D39-S42 PolarHBondContact O-N 3.3Å; D39-S42 WeakPolarHBondContact OD1-CB 3.41Å; D39-S42 PolarHBondContact OD1-OG 2.8Å; D39-S42 PolarHBondContact OD2-N 3.18Å; D39-S42 PolarHBondContact OD2-OG 3.38Å; D39-V43 WeakPolarHBondContact O-CB 3.06Å; D39-V43 WeakPolarHBondContact O-CG2 3.15Å; D39-V43 PolarHBondContact O-N 2.8Å
40R84.8Confident85.2Confident20 Ų2055.5 Ų55.58%0.07528%0.279CS..Hα-helixtrans-54.8-38.5-175.8-174.4-178.5-76.4100.5-11.4112.7L44 N77 E336 S339 L340R40-L44 HydrophobicContact CG-CD1 3.95Å; R40-L44 HydrophobicContact CG-CG 4.49Å; R40-L44 WeakPolarHBondContact O-CB 3.32Å; R40-L44 WeakPolarHBondContact O-CD1 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.46Å; R40-L44 PolarHBondContact O-N 2.78Å; R40-N77 VanDerWaalsContact CD-OD1 3.26Å; R40-N77 WeakPolarHBondContact CD-OD1 3.2Å; R40-E336 VanDerWaalsContact NH1-CD 3.27Å; R40-E336 IonicContact NH1-OE1 3.78Å; R40-E336 PolarHBondContact NH1-OE1 3.36Å; R40-E336 IonicContact NH1-OE2 2.96Å; R40-S339 PolarHBondContact NH2-OG 2.89Å; R40-L340 HydrophobicContact CB-CD1 4.36Å; R40-L340 HydrophobicContact CG-CD1 4.28Å
41S83.7Confident84.8Confident63 Ų6352.5 Ų52.544%0.44127%0.266SS..Hα-helixtrans-71.7-47.4-179-63.50000112.2D39 V43 L44 Q45D39-S41 PolarHBondContact O-N 2.76Å; D39-S41 WeakPolarHBondContact OD2-CB 3.31Å; D39-S41 PolarHBondContact OD2-N 3.43Å; D39-S41 VanDerWaalsContact OD2-N 3.11Å; S41-V43 VanDerWaalsContact C-N 3.3Å; S41-V43 PolarHBondContact O-N 3.46Å; S41-L44 PolarHBondContact O-N 2.73Å; S41-Q45 WeakPolarHBondContact O-CB 3.43Å; S41-Q45 VanDerWaalsContact O-CG 3.3Å; S41-Q45 WeakPolarHBondContact O-CG 3.48Å; S41-Q45 PolarHBondContact O-N 3.5Å; S41-Q45 VanDerWaalsContact O-N 3.09Å
42S85.8Confident84.1Confident31 Ų3159.8 Ų59.822%0.21729%0.293CS..Hα-helixtrans-60-40.6174-65.90000111.6D39 N46D39-S42 PolarHBondContact O-N 3.3Å; D39-S42 WeakPolarHBondContact OD1-CB 3.41Å; D39-S42 PolarHBondContact OD1-OG 2.8Å; D39-S42 PolarHBondContact OD2-N 3.18Å; D39-S42 PolarHBondContact OD2-OG 3.38Å; S42-N46 WeakPolarHBondContact O-CB 3.36Å; S42-N46 PolarHBondContact O-N 3.37Å; S42-N46 VanDerWaalsContact O-N 3.15Å; S42-N46 PolarHBondContact O-ND2 2.97Å
43V86.5Confident83.2Confident3 Ų361.6 Ų61.62%0.01831%0.312CS..Hα-helixtrans-63.5-53.1177.5162.40000111.4I38 D39 S41 Q45 N46 I47 L96 L340 I344I38-V43 HydrophobicContact CG2-CG2 4.23Å; D39-V43 WeakPolarHBondContact O-CB 3.06Å; D39-V43 WeakPolarHBondContact O-CG2 3.15Å; D39-V43 PolarHBondContact O-N 2.8Å; S41-V43 VanDerWaalsContact C-N 3.3Å; S41-V43 PolarHBondContact O-N 3.46Å; V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 3.49Å; V43-N46 PolarHBondContact O-N 3.01Å; V43-I47 HydrophobicContact CG1-CD1 4.04Å; V43-I47 HydrophobicContact CG1-CG2 4.39Å; V43-I47 WeakPolarHBondContact O-CG1 3.37Å; V43-I47 PolarHBondContact O-N 2.81Å; V43-L96 HydrophobicContact CB-CD2 4.34Å; V43-L96 HydrophobicContact CG1-CD2 3.62Å; V43-L96 HydrophobicContact CG2-CD1 3.97Å; V43-L96 HydrophobicContact CG2-CD2 3.91Å; V43-L96 HydrophobicContact CG2-CG 4.44Å; V43-L340 HydrophobicContact CB-CD1 4.36Å; V43-L340 HydrophobicContact CB-CD2 4.47Å; V43-L340 HydrophobicContact CG1-CD1 4.04Å; V43-L340 HydrophobicContact CG2-CD2 4.07Å; V43-I344 HydrophobicContact CG1-CD1 4.05Å
44L85.1Confident82.1Confident3 Ų368.9 Ų68.92%0.01635%0.346CS..Hα-helixtrans-58.2-41.7-178.8-72.5170.3000112.6R40 S41 N46 I47 G48 I75 N77 Y84R40-L44 HydrophobicContact CG-CD1 3.95Å; R40-L44 HydrophobicContact CG-CG 4.49Å; R40-L44 WeakPolarHBondContact O-CB 3.32Å; R40-L44 WeakPolarHBondContact O-CD1 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.46Å; R40-L44 PolarHBondContact O-N 2.78Å; S41-L44 PolarHBondContact O-N 2.73Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.29Å; L44-I47 HydrophobicContact CD2-CD1 4.44Å; L44-G48 PolarHBondContact O-N 3.18Å; L44-G48 VanDerWaalsContact O-N 3.15Å; L44-I75 HydrophobicContact CD2-CB 4.34Å; L44-I75 HydrophobicContact CD2-CD1 3.8Å; L44-I75 HydrophobicContact CD2-CG1 3.88Å; L44-I75 HydrophobicContact CD2-CG2 3.56Å; L44-N77 HydrophobicContact CD1-CB 3.66Å; L44-Y84 HydrophobicContact CB-CD1 4.2Å; L44-Y84 HydrophobicContact CB-CD2 4.36Å; L44-Y84 HydrophobicContact CB-CE1 4.11Å; L44-Y84 HydrophobicContact CB-CE2 4.28Å; L44-Y84 HydrophobicContact CB-CG 4.35Å; L44-Y84 HydrophobicContact CD1-CD2 4.4Å; L44-Y84 HydrophobicContact CD1-CE2 4.22Å; L44-Y84 HydrophobicContact CD2-CD2 4.26Å; L44-Y84 HydrophobicContact CD2-CG 4.37Å
45Q82.5Confident81.5Confident136 Ų13667.4 Ų67.464%0.63634%0.337SS*.Hα-helixtrans-67.7-28.6177-70.1176.616.200113.8S41 V43S41-Q45 WeakPolarHBondContact O-CB 3.43Å; S41-Q45 VanDerWaalsContact O-CG 3.3Å; S41-Q45 WeakPolarHBondContact O-CG 3.48Å; S41-Q45 PolarHBondContact O-N 3.5Å; S41-Q45 VanDerWaalsContact O-N 3.09Å; V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 3.49Å
46N83.7Confident80.8Confident94 Ų9466.4 Ų66.450%0.50333%0.329SS..Hα-helixtrans-86.8-28.6178.8-76.7-53.4000113.2S42 V43 L44S42-N46 WeakPolarHBondContact O-CB 3.36Å; S42-N46 PolarHBondContact O-N 3.37Å; S42-N46 VanDerWaalsContact O-N 3.15Å; S42-N46 PolarHBondContact O-ND2 2.97Å; V43-N46 PolarHBondContact O-N 3.01Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.29Å
47I85Confident80Confident1 Ų169.6 Ų69.61%0.00534%0.341CS..Hα-helixtrans-90.9-22.2-178.769.4-176.5000114.3V43 L44 I75 I87 A88 Y92 L96 I344V43-I47 HydrophobicContact CG1-CD1 4.04Å; V43-I47 HydrophobicContact CG1-CG2 4.39Å; V43-I47 WeakPolarHBondContact O-CG1 3.37Å; V43-I47 PolarHBondContact O-N 2.81Å; L44-I47 HydrophobicContact CD2-CD1 4.44Å; I47-I75 HydrophobicContact CD1-CD1 4.12Å; I47-I75 HydrophobicContact CD1-CG2 4.19Å; I47-I87 PolarHBondContact O-N 3.45Å; I47-A88 HydrophobicContact CB-CB 4.09Å; I47-A88 HydrophobicContact CG2-CB 4.32Å; I47-A88 PolarHBondContact O-N 3.21Å; I47-Y92 HydrophobicContact CG2-CD1 4.45Å; I47-Y92 HydrophobicContact CG2-CE1 4.11Å; I47-L96 HydrophobicContact CG2-CD2 4.02Å; I47-I344 HydrophobicContact CD1-CD1 3.99Å
48G82.5Confident79.2Confident7 Ų767 Ų677%0.07234%0.341CS..EExtended strand (participates in β ladder)trans-156.6177.5-167.900000114.5L44 N85L44-G48 PolarHBondContact O-N 3.18Å; L44-G48 VanDerWaalsContact O-N 3.15Å; G48-N85 CarbonylContact C-O 3.5Å; G48-N85 WeakPolarHBondContact CA-O 3.3Å
49F84.4Confident78.2Confident85 Ų8571 Ų7137%0.37336%0.362SS..EExtended strand (participates in β ladder)trans-120.8143.8171.765.9-89.2000110.7F72 Y84 N85 I87F49-F72 HydrophobicContact CE1-CE1 4.49Å; F49-F72 HydrophobicContact CE1-CZ 4.5Å; F49-F72 HydrophobicContact CZ-CE2 4.43Å; F49-F72 HydrophobicContact CZ-CZ 4.47Å; F49-Y84 CarbonylContact O-C 3.52Å; F49-Y84 WeakPolarHBondContact O-CA 3.49Å; F49-N85 HydrophobicContact CD1-CB 4.23Å; F49-N85 HydrophobicContact CE1-CB 3.76Å; F49-N85 HydrophobicContact CE2-CB 4.1Å; F49-N85 WeakPolarHBondContact CE2-ND2 3.28Å; F49-N85 HydrophobicContact CZ-CB 3.69Å; F49-N85 WeakPolarHBondContact CZ-ND2 3.33Å; F49-N85 PolarHBondContact N-O 3.04Å; F49-N85 PolarHBondContact O-N 3.13Å; F49-I87 HydrophobicContact CD1-CD1 4.43Å; F49-I87 HydrophobicContact CD1-CG2 3.66Å; F49-I87 HydrophobicContact CE1-CG2 3.55Å
50P82.9Confident77.4Confident49 Ų4972.4 Ų72.432%0.31838%0.381SS..EExtended strand (participates in β ladder)trans-69.7138.2-177.927.7-34.3000111.7R52 V83 Y84P50-R52 PolarHBondContact O-N 2.66Å; P50-V83 CarbonylContact C-O 3.57Å; P50-V83 WeakPolarHBondContact CA-O 3.31Å; P50-Y84 HydrophobicContact CB-CD1 4.25Å; P50-Y84 HydrophobicContact CB-CE1 3.97Å; P50-Y84 HydrophobicContact CB-CE2 4.42Å; P50-Y84 HydrophobicContact CG-CE1 4.25Å
51V77Confident76.7Confident36 Ų3677.4 Ų77.422%0.21840%0.403CS..  trans-74.592.3172.7-178.60000108.4G53 K64 V83 N85V51-G53 PolarHBondContact O-N 3.28Å; V51-K64 HydrophobicContact CG1-CB 4.3Å; V51-K64 HydrophobicContact CG1-CD 4.32Å; V51-V83 HydrophobicContact CB-CB 4.21Å; V51-V83 WeakPolarHBondContact CB-O 3.2Å; V51-V83 HydrophobicContact CG2-CB 4.11Å; V51-V83 HydrophobicContact CG2-CG1 3.99Å; V51-V83 WeakPolarHBondContact CG2-O 3.5Å; V51-V83 PolarHBondContact N-O 3.35Å; V51-N85 WeakPolarHBondContact CG2-OD1 3.47Å
52R71.7Confident76.1Confident204 Ų20482.8 Ų82.877%0.7742%0.415SS*.  trans-70.7123.6176.6-64-174.8-179.2-177.6-0.4110.6P50P50-R52 PolarHBondContact O-N 2.66Å
53G69.9Low75.3Confident39 Ų3984.4 Ų84.440%0.40242%0.421SS..EExtended strand (participates in β ladder)trans-100.3135.516000000109.6V51 I63V51-G53 PolarHBondContact O-N 3.28Å; G53-I63 CarbonylContact C-O 3.53Å; G53-I63 VanDerWaalsContact CA-O 3.29Å; G53-I63 WeakPolarHBondContact CA-O 3.24Å
54E66.4Low74.5Confident153 Ų15389.5 Ų89.572%0.71544%0.442SS*.EExtended strand (participates in β ladder)trans-107139.5171.9-70.1-176.4172.400109.5H56 I63E54-H56 PolarHBondContact O-N 3.05Å; E54-I63 PolarHBondContact N-O 2.97Å; E54-I63 PolarHBondContact O-N 3.4Å
55Y72.9Confident73.6Confident122 Ų12292.8 Ų92.848%0.47847%0.466SS..EExtended strand (participates in β ladder)trans-76.6109.3175.5-171.6-97.8000110H57 G60 Y62Y55-H57 PolarHBondContact O-N 2.95Å; Y55-G60 VanDerWaalsContact OH-C 3.27Å; Y55-G60 WeakPolarHBondContact OH-CA 3.12Å; Y55-G60 PolarHBondContact OH-O 3.44Å; Y55-Y62 HydrophobicContact CD2-CD1 4.3Å; Y55-Y62 AromaticContact CD2-CD2 3.75Å; Y55-Y62 HydrophobicContact CD2-CD2 3.75Å; Y55-Y62 HydrophobicContact CD2-CE1 4.25Å; Y55-Y62 AromaticContact CD2-CE2 3.68Å; Y55-Y62 HydrophobicContact CD2-CE2 3.68Å; Y55-Y62 HydrophobicContact CD2-CG 4.06Å; Y55-Y62 AromaticContact CD2-CZ 3.94Å; Y55-Y62 HydrophobicContact CE2-CD2 4.4Å; Y55-Y62 HydrophobicContact CE2-CE2 4.34Å; Y55-Y62 HydrophobicContact CG-CE1 4.49Å
56H71.3Confident72.8Confident80 Ų8090.4 Ų90.437%0.3746%0.463SS..EExtended strand (participates in β ladder)trans-90.696.8-178.3-166.4-65.6000110.1E54 C58 L59 G60 K61 I63E54-H56 PolarHBondContact O-N 3.05Å; H56-C58 VanDerWaalsContact C-N 3.32Å; H56-C58 PolarHBondContact O-N 3.33Å; H56-C58 VanDerWaalsContact O-N 3.15Å; H56-L59 HydrophobicContact CB-CB 4.36Å; H56-L59 WeakPolarHBondContact O-CA 3.48Å; H56-L59 PolarHBondContact O-N 3.17Å; H56-G60 PolarHBondContact O-N 3.47Å; H56-K61 PolarHBondContact N-O 3.36Å; H56-I63 HydrophobicContact CB-CD1 3.42Å; H56-I63 VanDerWaalsContact CB-CD1 3.42Å; H56-I63 HydrophobicContact CB-CG1 3.85Å
57H65.4Low71.5Confident150 Ų15093.8 Ų93.869%0.69447%0.47SS*.G310 helixtrans-47.9-43.8-174.757.6-82.6000114.5Y55 L59 G60Y55-H57 PolarHBondContact O-N 2.95Å; H57-L59 PolarHBondContact O-N 3.08Å; H57-G60 PolarHBondContact O-N 3.13Å
58C68.4Low70.1Confident98 Ų9894.1 Ų94.166%0.66247%0.474SS*.G310 helixtrans-67.1-14.7177.8-48.10000115.2H56H56-C58 VanDerWaalsContact C-N 3.32Å; H56-C58 PolarHBondContact O-N 3.33Å; H56-C58 VanDerWaalsContact O-N 3.15Å
59L65.7Low69Low97 Ų9796.3 Ų96.351%0.50848%0.484SS..G310 helixtrans-114.10.6-175.4-72169.3000112.6H56 H57 K61 I63H56-L59 HydrophobicContact CB-CB 4.36Å; H56-L59 WeakPolarHBondContact O-CA 3.48Å; H56-L59 PolarHBondContact O-N 3.17Å; H57-L59 PolarHBondContact O-N 3.08Å; L59-K61 HydrophobicContact CB-CG 4.35Å; L59-K61 WeakPolarHBondContact O-CG 3.28Å; L59-K61 PolarHBondContact O-N 2.96Å; L59-K61 VanDerWaalsContact O-N 3.08Å; L59-I63 HydrophobicContact CB-CD1 4.26Å; L59-I63 HydrophobicContact CD1-CD1 3.41Å; L59-I63 VanDerWaalsContact CD1-CD1 3.41Å; L59-I63 HydrophobicContact CG-CD1 4.45Å
60G68.9Low68.1Low49 Ų49100.1 Ų100.151%0.50551%0.508SS..THydrogen-bonded Turntrans64.69.4174.700000115.7Y55 H56 H57Y55-G60 VanDerWaalsContact OH-C 3.27Å; Y55-G60 WeakPolarHBondContact OH-CA 3.12Å; Y55-G60 PolarHBondContact OH-O 3.44Å; H56-G60 PolarHBondContact O-N 3.47Å; H57-G60 PolarHBondContact O-N 3.13Å
61K70.6Confident67.4Low125 Ų125102.5 Ų102.554%0.54352%0.518SS..EExtended strand (participates in β ladder)trans-144.1157-170.169.2-168.9178.3-178.40113H56 L59 I63H56-K61 PolarHBondContact N-O 3.36Å; L59-K61 HydrophobicContact CB-CG 4.35Å; L59-K61 WeakPolarHBondContact O-CG 3.28Å; L59-K61 PolarHBondContact O-N 2.96Å; L59-K61 VanDerWaalsContact O-N 3.08Å; K61-I63 HydrophobicContact CG-CG1 4.24Å
62Y72.6Confident67.3Low176 Ų176104.2 Ų104.269%0.6952%0.523SS*.EExtended strand (participates in β ladder)trans-67.7133166.4-73.5-86.8000110.4Y55Y55-Y62 HydrophobicContact CD2-CD1 4.3Å; Y55-Y62 AromaticContact CD2-CD2 3.75Å; Y55-Y62 HydrophobicContact CD2-CD2 3.75Å; Y55-Y62 HydrophobicContact CD2-CE1 4.25Å; Y55-Y62 AromaticContact CD2-CE2 3.68Å; Y55-Y62 HydrophobicContact CD2-CE2 3.68Å; Y55-Y62 HydrophobicContact CD2-CG 4.06Å; Y55-Y62 AromaticContact CD2-CZ 3.94Å; Y55-Y62 HydrophobicContact CE2-CD2 4.4Å; Y55-Y62 HydrophobicContact CE2-CE2 4.34Å; Y55-Y62 HydrophobicContact CG-CE1 4.49Å
63I67.1Low67.7Low66 Ų6695.4 Ų95.434%0.33849%0.491SS..EExtended strand (participates in β ladder)trans-119.7124.4177.4-55.9-172.8000108.1G53 E54 H56 L59 K61G53-I63 CarbonylContact C-O 3.53Å; G53-I63 VanDerWaalsContact CA-O 3.29Å; G53-I63 WeakPolarHBondContact CA-O 3.24Å; E54-I63 PolarHBondContact N-O 2.97Å; E54-I63 PolarHBondContact O-N 3.4Å; H56-I63 HydrophobicContact CB-CD1 3.42Å; H56-I63 VanDerWaalsContact CB-CD1 3.42Å; H56-I63 HydrophobicContact CB-CG1 3.85Å; L59-I63 HydrophobicContact CB-CD1 4.26Å; L59-I63 HydrophobicContact CD1-CD1 3.41Å; L59-I63 VanDerWaalsContact CD1-CD1 3.41Å; L59-I63 HydrophobicContact CG-CD1 4.45Å; K61-I63 HydrophobicContact CG-CG1 4.24Å
64K70.2Confident68.1Low109 Ų10997.2 Ų97.247%0.47449%0.486SS..EExtended strand (participates in β ladder)trans-108156.7172.564.7-178.8-177.1179.10110V51 C66V51-K64 HydrophobicContact CG1-CB 4.3Å; V51-K64 HydrophobicContact CG1-CD 4.32Å; K64-C66 PolarHBondContact O-N 3.42Å
65S66.5Low68.9Low73 Ų7390.2 Ų90.251%0.5145%0.453SS..  trans-70.2110.4175.5-178.40000111.3Y67S65-Y67 PolarHBondContact O-N 3.01Å
66C65.4Low69.1Low86 Ų8687.5 Ų87.558%0.58145%0.449SS*.G310 helixtrans-75.6-8174.1-50.20000113.4K64 G68 D69K64-C66 PolarHBondContact O-N 3.42Å; C66-G68 PolarHBondContact O-N 3.32Å; C66-D69 VanDerWaalsContact CA-OD2 3.31Å; C66-D69 WeakPolarHBondContact CA-OD2 3.19Å; C66-D69 WeakPolarHBondContact CB-OD2 3.37Å; C66-D69 PolarHBondContact O-N 3.41Å
67Y56.9Low69.5Low164 Ų16484.1 Ų84.164%0.64343%0.434SS*.G310 helixtrans-62-15-178.9-71.4-78.4000114.1S65 L71S65-Y67 PolarHBondContact O-N 3.01Å; Y67-L71 VanDerWaalsContact O-CD1 3.31Å; Y67-L71 WeakPolarHBondContact O-CD1 3.1Å
68G55.5Low69.8Low8 Ų880.7 Ų80.78%0.08242%0.421CS..G310 helixtrans-114.113.117600000114.4C66 R74C66-G68 PolarHBondContact O-N 3.32Å; G68-R74 PolarHBondContact O-NH2 3.1Å; G68-R74 VanDerWaalsContact O-NH2 3.14Å
69D59.6Low70Confident54 Ų5484 Ų8429%0.28942%0.42SS..THydrogen-bonded Turntrans-66.3134.3169.4-73.5-40.5000109.6C66 L71 R74C66-D69 VanDerWaalsContact CA-OD2 3.31Å; C66-D69 WeakPolarHBondContact CA-OD2 3.19Å; C66-D69 WeakPolarHBondContact CB-OD2 3.37Å; C66-D69 PolarHBondContact O-N 3.41Å; D69-L71 PolarHBondContact O-N 3.1Å; D69-L71 VanDerWaalsContact O-N 3.08Å; D69-R74 IonicContact OD1-CZ 2.99Å; D69-R74 IonicContact OD1-NH1 2.7Å; D69-R74 PolarHBondContact OD1-NH1 3.4Å; D69-R74 IonicContact OD1-NH2 2.93Å; D69-R74 PolarHBondContact OD1-NH2 3.44Å
70N65Low70.4Confident165 Ų16583.3 Ų83.388%0.88242%0.419SS*.THydrogen-bonded Turntrans60.75.5-176-53-15.2000116.9
71L67.6Low70.7Confident98 Ų9883.7 Ų83.751%0.51342%0.423SS..THydrogen-bonded Turntrans-96.1-15.7176.3-64.9-174.3000114.6Y67 D69 L950Y67-L71 VanDerWaalsContact O-CD1 3.31Å; Y67-L71 WeakPolarHBondContact O-CD1 3.1Å; D69-L71 PolarHBondContact O-N 3.1Å; D69-L71 VanDerWaalsContact O-N 3.08Å; L71-L950 HydrophobicContact CD1-CD2 3.56Å
72F74.6Confident71Confident73 Ų7381.3 Ų81.332%0.3242%0.417SS..SBendtrans-135.8140.6-177.2-56.9-82.7000110.2F49 N85 I87F49-F72 HydrophobicContact CE1-CE1 4.49Å; F49-F72 HydrophobicContact CE1-CZ 4.5Å; F49-F72 HydrophobicContact CZ-CE2 4.43Å; F49-F72 HydrophobicContact CZ-CZ 4.47Å; F72-N85 HydrophobicContact CB-CB 3.81Å; F72-N85 HydrophobicContact CD1-CB 4.47Å; F72-N85 HydrophobicContact CD2-CB 4.19Å; F72-N85 HydrophobicContact CG-CB 3.91Å; F72-I87 HydrophobicContact CD1-CG2 4.24Å; F72-I87 HydrophobicContact CE1-CG2 4.08Å
73V80.7Confident71.4Confident18 Ų1875.3 Ų75.311%0.10940%0.398CS..  trans-63.5138.4162.1177.70000108.1V86 V347 D350 I351 I354V73-V86 WeakPolarHBondContact O-CB 3.45Å; V73-V86 WeakPolarHBondContact O-CG2 3.37Å; V73-V86 PolarHBondContact O-N 3.46Å; V73-V347 HydrophobicContact CG1-CB 4.45Å; V73-V347 HydrophobicContact CG1-CG1 4.17Å; V73-V347 HydrophobicContact CG1-CG2 4.28Å; V73-D350 HydrophobicContact CG1-CB 3.74Å; V73-D350 HydrophobicContact CG2-CB 4.11Å; V73-I351 HydrophobicContact CB-CG1 4.39Å; V73-I351 HydrophobicContact CG2-CG1 3.83Å; V73-I354 HydrophobicContact CG2-CD1 4.08Å
74R79.1Confident72.2Confident78 Ų7873.4 Ų73.429%0.29439%0.387SS..EExtended strand (participates in β ladder)trans-114.4135-174.3-75177172.81663.6110.5G68 D69 V83 Y84 N85G68-R74 PolarHBondContact O-NH2 3.1Å; G68-R74 VanDerWaalsContact O-NH2 3.14Å; D69-R74 IonicContact OD1-CZ 2.99Å; D69-R74 IonicContact OD1-NH1 2.7Å; D69-R74 PolarHBondContact OD1-NH1 3.4Å; D69-R74 IonicContact OD1-NH2 2.93Å; D69-R74 PolarHBondContact OD1-NH2 3.44Å; R74-V83 HydrophobicContact CB-CG1 4.05Å; R74-V83 HydrophobicContact CG-CG1 4.1Å; R74-Y84 WeakPolarHBondContact CA-O 3.49Å; R74-N85 PolarHBondContact NE-OD1 2.9Å; R74-N85 VanDerWaalsContact NE-OD1 3.13Å
75I82.2Confident72.9Confident5 Ų568.7 Ų68.73%0.02637%0.367CS..EExtended strand (participates in β ladder)trans-119.8130.3172.7-175.4169.2000109L44 I47 Y84 V86 R343 V347L44-I75 HydrophobicContact CD2-CB 4.34Å; L44-I75 HydrophobicContact CD2-CD1 3.8Å; L44-I75 HydrophobicContact CD2-CG1 3.88Å; L44-I75 HydrophobicContact CD2-CG2 3.56Å; I47-I75 HydrophobicContact CD1-CD1 4.12Å; I47-I75 HydrophobicContact CD1-CG2 4.19Å; I75-Y84 PolarHBondContact N-O 3.11Å; I75-Y84 PolarHBondContact O-N 2.87Å; I75-V86 HydrophobicContact CB-CG2 4.33Å; I75-V86 HydrophobicContact CG2-CG2 3.79Å; I75-R343 HydrophobicContact CD1-CB 4.23Å; I75-R343 HydrophobicContact CD1-CG 3.58Å; I75-R343 HydrophobicContact CG1-CG 3.72Å; I75-V347 HydrophobicContact CB-CG2 3.96Å; I75-V347 HydrophobicContact CD1-CG2 4.04Å; I75-V347 HydrophobicContact CG1-CG2 4.31Å
76T78.3Confident73.7Confident65 Ų6565.8 Ų65.840%0.39935%0.346SS..EExtended strand (participates in β ladder)trans-95.1135.2177.349.70000110.2D78 V83T76-D78 PolarHBondContact O-N 3Å; T76-V83 HydrophobicContact CG2-CG2 4.31Å
77N79Confident74.7Confident9 Ų966.8 Ų66.85%0.04834%0.344CS..  trans-79.7106.3167-173.83.2000109.7R40 L44 R79 T80 G81 D82R40-N77 VanDerWaalsContact CD-OD1 3.26Å; R40-N77 WeakPolarHBondContact CD-OD1 3.2Å; L44-N77 HydrophobicContact CD1-CB 3.66Å; N77-R79 PolarHBondContact O-N 2.94Å; N77-R79 VanDerWaalsContact O-N 3.09Å; N77-R79 PolarHBondContact OD1-N 2.82Å; N77-T80 WeakPolarHBondContact CB-OG1 3.43Å; N77-T80 PolarHBondContact ND2-OG1 2.89Å; N77-T80 PolarHBondContact O-N 2.67Å; N77-T80 VanDerWaalsContact O-N 3.15Å; N77-G81 WeakPolarHBondContact O-CA 3.32Å; N77-G81 PolarHBondContact O-N 3.4Å; N77-D82 HydrophobicContact CB-CB 4.31Å; N77-D82 PolarHBondContact N-O 3.17Å
78D72.6Confident75.9Confident79 Ų7960 Ų6042%0.42232%0.322SS..THydrogen-bonded Turntrans-56.9-28.8-178.3-50.3-64.8000113.4T76 R343T76-D78 PolarHBondContact O-N 3Å; D78-R343 IonicContact OD1-CZ 3.59Å; D78-R343 IonicContact OD1-NH1 3.11Å; D78-R343 PolarHBondContact OD1-NH1 3.14Å; D78-R343 IonicContact OD1-NH2 3.4Å; D78-R343 PolarHBondContact OD1-NH2 3.3Å; D78-R343 IonicContact OD2-CZ 3.95Å; D78-R343 IonicContact OD2-NH1 3.85Å; D78-R343 IonicContact OD2-NH2 2.7Å; D78-R343 PolarHBondContact OD2-NH2 2.85Å
79R71.8Confident77.2Confident168 Ų16865.1 Ų65.163%0.63434%0.342SS*.THydrogen-bonded Turntrans-79.5-26.7-179-74.7-173.5173.4145.52.1114.2N77 E336N77-R79 PolarHBondContact O-N 2.94Å; N77-R79 VanDerWaalsContact O-N 3.09Å; N77-R79 PolarHBondContact OD1-N 2.82Å; R79-E336 IonicContact CZ-OE1 3.68Å; R79-E336 IonicContact CZ-OE2 3.67Å; R79-E336 IonicContact NH1-OE1 2.77Å; R79-E336 PolarHBondContact NH1-OE1 2.94Å; R79-E336 IonicContact NH1-OE2 3.5Å; R79-E336 PolarHBondContact NH1-OE2 3.27Å; R79-E336 IonicContact NH2-OE2 3.43Å; R79-E336 PolarHBondContact NH2-OE2 2.95Å
80T74.3Confident78.5Confident82 Ų8266.4 Ų66.450%0.50335%0.345SS..THydrogen-bonded Turntrans-122.8-11.7-174.364.90000114.3N77 D82N77-T80 WeakPolarHBondContact CB-OG1 3.43Å; N77-T80 PolarHBondContact ND2-OG1 2.89Å; N77-T80 PolarHBondContact O-N 2.67Å; N77-T80 VanDerWaalsContact O-N 3.15Å; T80-D82 VanDerWaalsContact CB-OD2 3.27Å; T80-D82 WeakPolarHBondContact CB-OD2 3.43Å; T80-D82 PolarHBondContact O-N 2.96Å; T80-D82 WeakPolarHBondContact OG1-CB 3.29Å; T80-D82 PolarHBondContact OG1-N 2.95Å; T80-D82 PolarHBondContact OG1-OD2 3.37Å
81G74.9Confident79.3Confident57 Ų5760 Ų6059%0.58832%0.319SS*.  trans74.3-2.1-171.600000114.4N77 V83N77-G81 WeakPolarHBondContact O-CA 3.32Å; N77-G81 PolarHBondContact O-N 3.4Å; G81-V83 PolarHBondContact O-N 3.23Å
82D77Confident80.3Confident75 Ų7560 Ų6040%0.40131%0.312SS..  trans-64.7128.9-178.7-68.9-51.5000111.5N77 T80 Y84N77-D82 HydrophobicContact CB-CB 4.31Å; N77-D82 PolarHBondContact N-O 3.17Å; T80-D82 VanDerWaalsContact CB-OD2 3.27Å; T80-D82 WeakPolarHBondContact CB-OD2 3.43Å; T80-D82 PolarHBondContact O-N 2.96Å; T80-D82 WeakPolarHBondContact OG1-CB 3.29Å; T80-D82 PolarHBondContact OG1-N 2.95Å; T80-D82 PolarHBondContact OG1-OD2 3.37Å; D82-Y84 HydrophobicContact CB-CD2 4.28Å; D82-Y84 HydrophobicContact CB-CE2 3.69Å
83V80.9Confident81Confident50 Ų5056.5 Ų56.530%0.30330%0.297SS..EExtended strand (participates in β ladder)trans-92.5129.6174.5-171.40000109.1P50 V51 R74 T76 G81P50-V83 CarbonylContact C-O 3.57Å; P50-V83 WeakPolarHBondContact CA-O 3.31Å; V51-V83 HydrophobicContact CB-CB 4.21Å; V51-V83 WeakPolarHBondContact CB-O 3.2Å; V51-V83 HydrophobicContact CG2-CB 4.11Å; V51-V83 HydrophobicContact CG2-CG1 3.99Å; V51-V83 WeakPolarHBondContact CG2-O 3.5Å; V51-V83 PolarHBondContact N-O 3.35Å; R74-V83 HydrophobicContact CB-CG1 4.05Å; R74-V83 HydrophobicContact CG-CG1 4.1Å; T76-V83 HydrophobicContact CG2-CG2 4.31Å; G81-V83 PolarHBondContact O-N 3.23Å
84Y84.4Confident81.4Confident26 Ų2659.6 Ų59.610%0.10231%0.309CS..EExtended strand (participates in β ladder)trans-111.9134.2173.2-71.9-111.9000110L44 F49 P50 R74 I75 D82L44-Y84 HydrophobicContact CB-CD1 4.2Å; L44-Y84 HydrophobicContact CB-CD2 4.36Å; L44-Y84 HydrophobicContact CB-CE1 4.11Å; L44-Y84 HydrophobicContact CB-CE2 4.28Å; L44-Y84 HydrophobicContact CB-CG 4.35Å; L44-Y84 HydrophobicContact CD1-CD2 4.4Å; L44-Y84 HydrophobicContact CD1-CE2 4.22Å; L44-Y84 HydrophobicContact CD2-CD2 4.26Å; L44-Y84 HydrophobicContact CD2-CG 4.37Å; F49-Y84 CarbonylContact O-C 3.52Å; F49-Y84 WeakPolarHBondContact O-CA 3.49Å; P50-Y84 HydrophobicContact CB-CD1 4.25Å; P50-Y84 HydrophobicContact CB-CE1 3.97Å; P50-Y84 HydrophobicContact CB-CE2 4.42Å; P50-Y84 HydrophobicContact CG-CE1 4.25Å; R74-Y84 WeakPolarHBondContact CA-O 3.49Å; I75-Y84 PolarHBondContact N-O 3.11Å; I75-Y84 PolarHBondContact O-N 2.87Å; D82-Y84 HydrophobicContact CB-CD2 4.28Å; D82-Y84 HydrophobicContact CB-CE2 3.69Å
85N84.3Confident81.9Confident9 Ų960.1 Ų60.15%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-83.8121.6167.8-70.7-29.9000108.5G48 F49 V51 F72 R74G48-N85 CarbonylContact C-O 3.5Å; G48-N85 WeakPolarHBondContact CA-O 3.3Å; F49-N85 HydrophobicContact CD1-CB 4.23Å; F49-N85 HydrophobicContact CE1-CB 3.76Å; F49-N85 HydrophobicContact CE2-CB 4.1Å; F49-N85 WeakPolarHBondContact CE2-ND2 3.28Å; F49-N85 HydrophobicContact CZ-CB 3.69Å; F49-N85 WeakPolarHBondContact CZ-ND2 3.33Å; F49-N85 PolarHBondContact N-O 3.04Å; F49-N85 PolarHBondContact O-N 3.13Å; V51-N85 WeakPolarHBondContact CG2-OD1 3.47Å; F72-N85 HydrophobicContact CB-CB 3.81Å; F72-N85 HydrophobicContact CD1-CB 4.47Å; F72-N85 HydrophobicContact CD2-CB 4.19Å; F72-N85 HydrophobicContact CG-CB 3.91Å; R74-N85 PolarHBondContact NE-OD1 2.9Å; R74-N85 VanDerWaalsContact NE-OD1 3.13Å
86V83.8Confident82.3Confident12 Ų1260.5 Ų60.57%0.07332%0.317CS..EExtended strand (participates in β ladder)trans-75.5128.8-179.3-1790000110.2V73 I75 I93 V347V73-V86 WeakPolarHBondContact O-CB 3.45Å; V73-V86 WeakPolarHBondContact O-CG2 3.37Å; V73-V86 PolarHBondContact O-N 3.46Å; I75-V86 HydrophobicContact CB-CG2 4.33Å; I75-V86 HydrophobicContact CG2-CG2 3.79Å; V86-I93 HydrophobicContact CG1-CD1 3.87Å; V86-V347 HydrophobicContact CG1-CG1 4.18Å; V86-V347 HydrophobicContact CG2-CG1 4.09Å; V86-V347 HydrophobicContact CG2-CG2 4.39Å
87I85.2Confident82.9Confident108 Ų10860.5 Ų60.555%0.55431%0.311SS*.  trans-122.7-9176.963.1172.3000113.3I47 F49 F72I47-I87 PolarHBondContact O-N 3.45Å; F49-I87 HydrophobicContact CD1-CD1 4.43Å; F49-I87 HydrophobicContact CD1-CG2 3.66Å; F49-I87 HydrophobicContact CE1-CG2 3.55Å; F72-I87 HydrophobicContact CD1-CG2 4.24Å; F72-I87 HydrophobicContact CE1-CG2 4.08Å
88A82.2Confident83.5Confident21 Ų2165.8 Ų65.817%0.17434%0.337CS..SBendtrans-67.8144.9179.500000112.6I47 Y92 I93I47-A88 HydrophobicContact CB-CB 4.09Å; I47-A88 HydrophobicContact CG2-CB 4.32Å; I47-A88 PolarHBondContact O-N 3.21Å; A88-Y92 HydrophobicContact CB-CD1 3.9Å; A88-I93 HydrophobicContact CB-CD1 4.19Å; A88-I93 HydrophobicContact CB-CG1 3.97Å
89K84.4Confident84.4Confident116 Ų11667.6 Ų67.650%0.50434%0.341SS..  trans-65.5141.1175.5-59.3-169.9177.6-1590110.6G91 Y92 I93K89-G91 PolarHBondContact O-N 3.25Å; K89-Y92 WeakPolarHBondContact O-CB 3.34Å; K89-Y92 PolarHBondContact O-N 2.97Å; K89-I93 PolarHBondContact O-N 3.4Å
90K85.1Confident85.4Confident80 Ų8059.6 Ų59.635%0.34831%0.311SS..Hα-helixtrans-44.4-39.8174-175.5175.3178.1173.40113.4I93 K94 L348 I351 D352K90-I93 PolarHBondContact O-N 3.24Å; K90-K94 PolarHBondContact O-N 3.17Å; K90-L348 HydrophobicContact CG-CD2 4.14Å; K90-I351 HydrophobicContact CB-CG2 4.48Å; K90-I351 HydrophobicContact CD-CG2 4.27Å; K90-D352 WeakPolarHBondContact CE-OD1 3.25Å; K90-D352 WeakPolarHBondContact CE-OD2 3.48Å; K90-D352 IonicContact NZ-OD1 3.57Å; K90-D352 PolarHBondContact NZ-OD1 2.9Å; K90-D352 IonicContact NZ-OD2 2.86Å; K90-D352 PolarHBondContact NZ-OD2 2.96Å
91G83.7Confident86.3Confident32 Ų3258 Ų5833%0.3330%0.301SS..Hα-helixtrans-63.7-37.3176.300000115K89 Q95K89-G91 PolarHBondContact O-N 3.25Å; G91-Q95 WeakPolarHBondContact O-CG 3.27Å; G91-Q95 PolarHBondContact O-N 3.42Å; G91-Q95 VanDerWaalsContact O-N 3.09Å
92Y88.2Confident87Confident97 Ų9761.1 Ų61.138%0.3830%0.301SS..Hα-helixtrans-70.2-39.5174.5179.4-103.7000111.1I47 A88 K89 Q95 L96I47-Y92 HydrophobicContact CG2-CD1 4.45Å; I47-Y92 HydrophobicContact CG2-CE1 4.11Å; A88-Y92 HydrophobicContact CB-CD1 3.9Å; K89-Y92 WeakPolarHBondContact O-CB 3.34Å; K89-Y92 PolarHBondContact O-N 2.97Å; Y92-Q95 PolarHBondContact O-N 2.9Å; Y92-L96 WeakPolarHBondContact O-CB 3.32Å; Y92-L96 PolarHBondContact O-N 3.24Å
93I88.2Confident87.7Confident0 Ų058 Ų580%029%0.285CS..Hα-helixtrans-65.8-39.5177.3-55.4173.3000110.6V86 A88 K89 K90 L96 K97 I344 V347 L348 I351V86-I93 HydrophobicContact CG1-CD1 3.87Å; A88-I93 HydrophobicContact CB-CD1 4.19Å; A88-I93 HydrophobicContact CB-CG1 3.97Å; K89-I93 PolarHBondContact O-N 3.4Å; K90-I93 PolarHBondContact O-N 3.24Å; I93-L96 PolarHBondContact O-N 3.13Å; I93-K97 PolarHBondContact O-N 2.86Å; I93-I344 HydrophobicContact CG2-CG2 3.8Å; I93-V347 HydrophobicContact CD1-CG1 4.14Å; I93-L348 HydrophobicContact CB-CD2 3.95Å; I93-L348 HydrophobicContact CB-CG 4.49Å; I93-L348 HydrophobicContact CG2-CD1 4.17Å; I93-L348 HydrophobicContact CG2-CD2 3.64Å; I93-L348 HydrophobicContact CG2-CG 3.65Å; I93-I351 HydrophobicContact CD1-CD1 3.53Å
94K89.5Confident88.3Confident82 Ų8256.7 Ų56.736%0.35728%0.277SS..Hα-helixtrans-59.9-44.7170-78.1-170.6174.8-170.20112.7K90 L96 K97 M98 L348K90-K94 PolarHBondContact O-N 3.17Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.97Å; K94-K97 WeakPolarHBondContact O-CB 3.02Å; K94-K97 PolarHBondContact O-N 3.31Å; K94-M98 PolarHBondContact O-N 3.45Å; K94-M98 VanDerWaalsContact O-N 3.13Å; K94-L348 HydrophobicContact CG-CD2 4.2Å
95Q88.9Confident88.6Confident90 Ų9059 Ų5942%0.42129%0.292SS..Hα-helixtrans-63.2-38.4175.7-75-179.5-16.600112.3G91 Y92 M98 K99G91-Q95 WeakPolarHBondContact O-CG 3.27Å; G91-Q95 PolarHBondContact O-N 3.42Å; G91-Q95 VanDerWaalsContact O-N 3.09Å; Y92-Q95 PolarHBondContact O-N 2.9Å; Q95-M98 PolarHBondContact O-N 3.24Å; Q95-K99 PolarHBondContact O-N 2.91Å
96L90.3Very high88.9Confident12 Ų1260.7 Ų60.76%0.06330%0.3CS..Hα-helixtrans-65.8-43.8176.6-174.165.6000111.3I38 V43 I47 Y92 I93 K94 M98 K99 I100 I344I38-L96 HydrophobicContact CG2-CD1 3.98Å; V43-L96 HydrophobicContact CB-CD2 4.34Å; V43-L96 HydrophobicContact CG1-CD2 3.62Å; V43-L96 HydrophobicContact CG2-CD1 3.97Å; V43-L96 HydrophobicContact CG2-CD2 3.91Å; V43-L96 HydrophobicContact CG2-CG 4.44Å; I47-L96 HydrophobicContact CG2-CD2 4.02Å; Y92-L96 WeakPolarHBondContact O-CB 3.32Å; Y92-L96 PolarHBondContact O-N 3.24Å; I93-L96 PolarHBondContact O-N 3.13Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.97Å; L96-M98 PolarHBondContact O-N 2.78Å; L96-K99 PolarHBondContact O-N 2.82Å; L96-I100 HydrophobicContact CG-CD1 3.98Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.41Å; L96-I344 HydrophobicContact CD2-CD1 3.93Å; L96-I344 HydrophobicContact CD2-CG1 4.4Å
97K92.3Very high89.2Confident66 Ų6660.2 Ų60.229%0.28730%0.297SS..Hα-helixtrans-51-53.5171.8-177.5-177.6177.6169.60111I93 K94 K99 I100 T101 L341 I344 E345 L348I93-K97 PolarHBondContact O-N 2.86Å; K94-K97 WeakPolarHBondContact O-CB 3.02Å; K94-K97 PolarHBondContact O-N 3.31Å; K97-K99 VanDerWaalsContact C-N 3.3Å; K97-K99 PolarHBondContact O-N 3.29Å; K97-I100 PolarHBondContact O-N 2.77Å; K97-I100 VanDerWaalsContact O-N 3.12Å; K97-T101 PolarHBondContact O-N 3.39Å; K97-T101 PolarHBondContact O-OG1 3.47Å; K97-T101 VanDerWaalsContact O-OG1 3.09Å; K97-L341 HydrophobicContact CG-CD1 3.72Å; K97-I344 HydrophobicContact CB-CG2 4.07Å; K97-E345 HydrophobicContact CD-CG 4.15Å; K97-E345 WeakPolarHBondContact CE-OE1 2.96Å; K97-E345 IonicContact NZ-OE1 3.55Å; K97-E345 PolarHBondContact NZ-OE1 2.92Å; K97-L348 HydrophobicContact CB-CD1 4.39Å; K97-L348 HydrophobicContact CD-CD1 4.01Å
98M91.4Very high89.5Confident120 Ų12062.8 Ų62.859%0.59130%0.3SS*.Hα-helixtrans-56.1-41.8-179.9-69.5179.87100112.9K94 Q95 L96 T101 Q102K94-M98 PolarHBondContact O-N 3.45Å; K94-M98 VanDerWaalsContact O-N 3.13Å; Q95-M98 PolarHBondContact O-N 3.24Å; L96-M98 PolarHBondContact O-N 2.78Å; M98-T101 PolarHBondContact O-N 3.46Å; M98-Q102 WeakPolarHBondContact O-CG 3.29Å; M98-Q102 PolarHBondContact O-N 2.85Å
99K91.8Very high89.7Confident117 Ų11765.7 Ų65.751%0.50931%0.312SS..Hα-helixtrans-68-38.4177.7-69.7-174172.6-167.10113.1I38 Q95 L96 K97 Q102 A103I38-K99 HydrophobicContact CD1-CB 3.9Å; I38-K99 HydrophobicContact CD1-CD 4.45Å; Q95-K99 PolarHBondContact O-N 2.91Å; L96-K99 PolarHBondContact O-N 2.82Å; K97-K99 VanDerWaalsContact C-N 3.3Å; K97-K99 PolarHBondContact O-N 3.29Å; K99-Q102 PolarHBondContact O-N 3.28Å; K99-A103 PolarHBondContact O-N 3.33Å; K99-A103 VanDerWaalsContact O-N 3.12Å
100I92.6Very high90Very high0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-66.4-43.3175.9-61.5160.5000109.7I38 L96 K97 Q102 A103 V104 A337 L340 L341 I344I38-I100 HydrophobicContact CG2-CD1 4.27Å; I38-I100 HydrophobicContact CG2-CG1 3.42Å; I38-I100 VanDerWaalsContact CG2-CG1 3.42Å; L96-I100 HydrophobicContact CG-CD1 3.98Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.41Å; K97-I100 PolarHBondContact O-N 2.77Å; K97-I100 VanDerWaalsContact O-N 3.12Å; I100-Q102 PolarHBondContact O-N 2.91Å; I100-A103 WeakPolarHBondContact O-CB 3.36Å; I100-A103 PolarHBondContact O-N 2.92Å; I100-A103 VanDerWaalsContact O-N 3.13Å; I100-V104 HydrophobicContact CG2-CG2 4.44Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 2.84Å; I100-A337 HydrophobicContact CG2-CB 4.49Å; I100-A337 VanDerWaalsContact CG2-O 3.29Å; I100-A337 WeakPolarHBondContact CG2-O 3.36Å; I100-L340 HydrophobicContact CD1-CD2 4.11Å; I100-L340 HydrophobicContact CD1-CG 3.97Å; I100-L340 HydrophobicContact CG1-CD2 4.44Å; I100-L341 HydrophobicContact CB-CD1 4.21Å; I100-L341 HydrophobicContact CG2-CB 3.72Å; I100-L341 HydrophobicContact CG2-CD1 4.15Å; I100-L341 HydrophobicContact CG2-CG 4.43Å; I100-I344 HydrophobicContact CD1-CG1 3.98Å
101T93Very high90.1Very high47 Ų4758.1 Ų58.129%0.28828%0.281SS..Hα-helixtrans-57.2-47.5174.8-54.90000111.5K97 M98 A103 V104 D105K97-T101 PolarHBondContact O-N 3.39Å; K97-T101 PolarHBondContact O-OG1 3.47Å; K97-T101 VanDerWaalsContact O-OG1 3.09Å; M98-T101 PolarHBondContact O-N 3.46Å; T101-A103 VanDerWaalsContact C-N 3.27Å; T101-A103 PolarHBondContact O-N 3.16Å; T101-V104 WeakPolarHBondContact O-CB 3.45Å; T101-V104 PolarHBondContact O-N 2.87Å; T101-V104 VanDerWaalsContact O-N 3.11Å; T101-D105 PolarHBondContact O-N 3.36Å
102Q90.2Very high90.3Very high124 Ų12460.1 Ų60.158%0.57929%0.287SS*.Hα-helixtrans-58.9-35.4175.7-73.8172.3-16.200113.4M98 K99 I100 L106M98-Q102 WeakPolarHBondContact O-CG 3.29Å; M98-Q102 PolarHBondContact O-N 2.85Å; K99-Q102 PolarHBondContact O-N 3.28Å; I100-Q102 PolarHBondContact O-N 2.91Å; Q102-L106 WeakPolarHBondContact O-CB 3.49Å; Q102-L106 PolarHBondContact O-N 3.16Å; Q102-L106 VanDerWaalsContact O-N 3.1Å
103A91.7Very high90.2Very high10 Ų1056.6 Ų56.68%0.08327%0.273CS..Hα-helixtrans-71-41.4174.600000112L33 K99 I100 T101 D105 L106 Y107L33-A103 HydrophobicContact CD2-CB 4.33Å; K99-A103 PolarHBondContact O-N 3.33Å; K99-A103 VanDerWaalsContact O-N 3.12Å; I100-A103 WeakPolarHBondContact O-CB 3.36Å; I100-A103 PolarHBondContact O-N 2.92Å; I100-A103 VanDerWaalsContact O-N 3.13Å; T101-A103 VanDerWaalsContact C-N 3.27Å; T101-A103 PolarHBondContact O-N 3.16Å; A103-D105 PolarHBondContact O-N 2.84Å; A103-L106 PolarHBondContact O-N 3.38Å; A103-Y107 HydrophobicContact CB-CE2 4.14Å; A103-Y107 WeakPolarHBondContact O-CB 3.31Å; A103-Y107 WeakPolarHBondContact O-CD2 3.44Å; A103-Y107 PolarHBondContact O-N 3.23Å
104V92.9Very high90.1Very high21 Ų2156.9 Ų56.913%0.12727%0.274CS..Hα-helixtrans-58.6-46.3174.6167.60000111.1I100 T101 Y107 R108 L334 A337 R338I100-V104 HydrophobicContact CG2-CG2 4.44Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 2.84Å; T101-V104 WeakPolarHBondContact O-CB 3.45Å; T101-V104 PolarHBondContact O-N 2.87Å; T101-V104 VanDerWaalsContact O-N 3.11Å; V104-Y107 PolarHBondContact O-N 3.11Å; V104-R108 WeakPolarHBondContact O-CB 3.13Å; V104-R108 PolarHBondContact O-N 2.85Å; V104-L334 HydrophobicContact CB-CD1 4.36Å; V104-L334 HydrophobicContact CG1-CD1 3.91Å; V104-L334 HydrophobicContact CG2-CD1 4.5Å; V104-A337 HydrophobicContact CG2-CB 3.65Å; V104-R338 HydrophobicContact CG1-CG 4.21Å; V104-R338 HydrophobicContact CG2-CG 4.13Å
105D90.9Very high89.8Confident76 Ų7656.4 Ų56.441%0.40628%0.279SS..Hα-helixtrans-62.9-47177.5-64.5-33.5000111T101 A103 Y107 R108 D109T101-D105 PolarHBondContact O-N 3.36Å; A103-D105 PolarHBondContact O-N 2.84Å; D105-Y107 PolarHBondContact O-N 3.22Å; D105-R108 WeakPolarHBondContact O-CB 3.47Å; D105-R108 PolarHBondContact O-N 3.02Å; D105-D109 PolarHBondContact O-N 3.48Å
106L89.7Confident89.5Confident44 Ų4454.1 Ų54.123%0.2327%0.273CS..Hα-helixtrans-61.8-39.2178.4-172.572.4000113V18 W27 Y31 Q102 A103 R110V18-L106 HydrophobicContact CG2-CD1 3.91Å; W27-L106 HydrophobicContact CH2-CD2 3.9Å; W27-L106 HydrophobicContact CH2-CG 3.81Å; W27-L106 HydrophobicContact CZ2-CD1 4.35Å; W27-L106 HydrophobicContact CZ2-CD2 4.01Å; W27-L106 HydrophobicContact CZ2-CG 3.88Å; Y31-L106 HydrophobicContact CD1-CD2 3.89Å; Y31-L106 HydrophobicContact CG-CD2 4.09Å; Q102-L106 WeakPolarHBondContact O-CB 3.49Å; Q102-L106 PolarHBondContact O-N 3.16Å; Q102-L106 VanDerWaalsContact O-N 3.1Å; A103-L106 PolarHBondContact O-N 3.38Å; L106-R110 WeakPolarHBondContact O-CB 3.47Å; L106-R110 PolarHBondContact O-N 3.06Å
107Y91.7Very high89.2Confident1 Ų155.1 Ų55.10%0.00429%0.286CS..Hα-helixtrans-71-35.8175.8-60-26.5000112W27 L28 Y31 G32 L33 A103 V104 D105 R110 L111 E333 L334 A337W27-Y107 AromaticContact CH2-CD1 3.73Å; W27-Y107 HydrophobicContact CH2-CD1 3.73Å; W27-Y107 HydrophobicContact CH2-CE1 4.09Å; W27-Y107 AromaticContact CZ3-CD1 3.62Å; W27-Y107 HydrophobicContact CZ3-CD1 3.62Å; W27-Y107 AromaticContact CZ3-CE1 3.79Å; W27-Y107 HydrophobicContact CZ3-CE1 3.79Å; L28-Y107 HydrophobicContact CD2-CE1 4.28Å; Y31-Y107 PolarHBondContact O-OH 3.25Å; G32-Y107 VanDerWaalsContact CA-OH 3.27Å; G32-Y107 WeakPolarHBondContact CA-OH 3.44Å; L33-Y107 HydrophobicContact CD2-CE2 4.08Å; L33-Y107 HydrophobicContact CG-CE2 4.18Å; L33-Y107 WeakPolarHBondContact CG-OH 3.25Å; L33-Y107 PolarHBondContact N-OH 3.26Å; L33-Y107 VanDerWaalsContact N-OH 3.14Å; A103-Y107 HydrophobicContact CB-CE2 4.14Å; A103-Y107 WeakPolarHBondContact O-CB 3.31Å; A103-Y107 WeakPolarHBondContact O-CD2 3.44Å; A103-Y107 PolarHBondContact O-N 3.23Å; V104-Y107 PolarHBondContact O-N 3.11Å; D105-Y107 PolarHBondContact O-N 3.22Å; Y107-R110 PolarHBondContact O-N 2.8Å; Y107-L111 WeakPolarHBondContact O-CB 3.39Å; Y107-L111 PolarHBondContact O-N 2.97Å; Y107-E333 HydrophobicContact CE2-CB 4.37Å; Y107-E333 HydrophobicContact CE2-CG 3.82Å; Y107-L334 HydrophobicContact CD2-CB 4.34Å; Y107-A337 HydrophobicContact CD2-CB 4.25Å; Y107-A337 HydrophobicContact CE2-CB 4.05Å
108R90.4Very high89Confident163 Ų16352 Ų5262%0.61527%0.272SS*.Hα-helixtrans-63.3-45.3173.4-175.8-177.2-177.1-177-0111.1V104 D105 R110 L111 T112V104-R108 WeakPolarHBondContact O-CB 3.13Å; V104-R108 PolarHBondContact O-N 2.85Å; D105-R108 WeakPolarHBondContact O-CB 3.47Å; D105-R108 PolarHBondContact O-N 3.02Å; R108-R110 VanDerWaalsContact C-N 3.34Å; R108-L111 PolarHBondContact O-N 2.9Å; R108-T112 PolarHBondContact O-N 3.04Å; R108-T112 PolarHBondContact O-OG1 3.13Å
109D87.3Confident88.8Confident82 Ų8247 Ų4744%0.43925%0.247SC..Hα-helixtrans-65.8-36.6176.6-70.3-13.9000111.9V18 D105 T112 W113V18-D109 HydrophobicContact CG1-CB 4.27Å; V18-D109 WeakPolarHBondContact CG1-O 3.49Å; V18-D109 HydrophobicContact CG2-CB 3.89Å; D105-D109 PolarHBondContact O-N 3.48Å; D109-T112 WeakPolarHBondContact CA-OG1 3.48Å; D109-T112 PolarHBondContact O-OG1 3.41Å; D109-W113 VanDerWaalsContact O-CB 3.31Å; D109-W113 WeakPolarHBondContact O-CB 3.41Å; D109-W113 PolarHBondContact O-N 3Å
110R89.8Confident88.5Confident0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-67.7-37.4172.8-175.859.7-178.9-164.2-2.3112.3V18 R20 L22 W27 L106 Y107 R108 W113 L114 I330V18-R110 PolarHBondContact O-NH1 3.34Å; R20-R110 PolarHBondContact O-NH1 2.72Å; L22-R110 PolarHBondContact O-NH2 3.2Å; W27-R110 HydrophobicContact CD2-CG 4.12Å; W27-R110 HydrophobicContact CE3-CG 4.17Å; W27-R110 HydrophobicContact CH2-CB 3.85Å; W27-R110 HydrophobicContact CH2-CG 4.05Å; W27-R110 HydrophobicContact CZ2-CB 3.9Å; W27-R110 HydrophobicContact CZ2-CG 3.98Å; W27-R110 HydrophobicContact CZ3-CB 4.34Å; W27-R110 HydrophobicContact CZ3-CG 4.14Å; L106-R110 WeakPolarHBondContact O-CB 3.47Å; L106-R110 PolarHBondContact O-N 3.06Å; Y107-R110 PolarHBondContact O-N 2.8Å; R108-R110 VanDerWaalsContact C-N 3.34Å; R110-W113 VanDerWaalsContact NH1-CZ3 3.29Å; R110-W113 PolarHBondContact O-N 3.16Å; R110-L114 WeakPolarHBondContact O-CG 3.31Å; R110-L114 PolarHBondContact O-N 3.31Å; R110-I330 HydrophobicContact CB-CG2 4.49Å; R110-I330 HydrophobicContact CG-CD1 4.05Å; R110-I330 HydrophobicContact CG-CG1 4.27Å; R110-I330 HydrophobicContact CG-CG2 4.48Å
111L88Confident88.3Confident36 Ų3643.8 Ų43.819%0.18824%0.237CC..Hα-helixtrans-68.6-44.6176.8-172.463.7000111.5Y107 R108 W113 L114 T115 C327 I330 F331 L334Y107-L111 WeakPolarHBondContact O-CB 3.39Å; Y107-L111 PolarHBondContact O-N 2.97Å; R108-L111 PolarHBondContact O-N 2.9Å; L111-W113 VanDerWaalsContact C-N 3.29Å; L111-W113 PolarHBondContact O-N 3.46Å; L111-L114 PolarHBondContact O-N 3.28Å; L111-T115 WeakPolarHBondContact O-CG2 3.23Å; L111-T115 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-OG1 3.11Å; L111-C327 HydrophobicContact CD1-CB 3.92Å; L111-I330 HydrophobicContact CB-CG2 4.18Å; L111-F331 HydrophobicContact CD2-CD2 4.35Å; L111-L334 HydrophobicContact CD2-CD2 4.33Å
112T86.6Confident88.1Confident75 Ų7541.8 Ų41.846%0.4623%0.225SC..Hα-helixtrans-64.3-34.2173.852.50000112.1R108 D109 T115 S116R108-T112 PolarHBondContact O-N 3.04Å; R108-T112 PolarHBondContact O-OG1 3.13Å; D109-T112 WeakPolarHBondContact CA-OG1 3.48Å; D109-T112 PolarHBondContact O-OG1 3.41Å; T112-T115 CarbonylContact O-C 3.6Å; T112-T115 PolarHBondContact O-N 2.89Å; T112-S116 WeakPolarHBondContact O-CB 3.47Å; T112-S116 PolarHBondContact O-N 3.41Å; T112-S116 PolarHBondContact O-OG 3.45Å
113W86.8Confident87.9Confident22 Ų2236.4 Ų36.48%0.08320%0.202CC..Hα-helixtrans-62.1-46.2170.6-177.586.7000112.1V18 N19 D109 R110 L111 T115 S116 R119 V124V18-W113 HydrophobicContact CG1-CB 3.71Å; V18-W113 HydrophobicContact CG1-CG 4.1Å; N19-W113 VanDerWaalsContact OD1-CD1 3.25Å; N19-W113 PolarHBondContact OD1-NE1 2.74Å; D109-W113 VanDerWaalsContact O-CB 3.31Å; D109-W113 WeakPolarHBondContact O-CB 3.41Å; D109-W113 PolarHBondContact O-N 3Å; R110-W113 VanDerWaalsContact NH1-CZ3 3.29Å; R110-W113 PolarHBondContact O-N 3.16Å; L111-W113 VanDerWaalsContact C-N 3.29Å; L111-W113 PolarHBondContact O-N 3.46Å; W113-T115 VanDerWaalsContact C-N 3.32Å; W113-T115 PolarHBondContact O-N 3.35Å; W113-S116 WeakPolarHBondContact CA-OG 3.41Å; W113-S116 PolarHBondContact O-N 3.42Å; W113-S116 PolarHBondContact O-OG 3.08Å; W113-R119 PolarHBondContact O-NE 3.05Å; W113-V124 HydrophobicContact CH2-CG1 4.03Å; W113-V124 HydrophobicContact CH2-CG2 4.24Å; W113-V124 HydrophobicContact CZ3-CG1 4.32Å; W113-V124 HydrophobicContact CZ3-CG2 3.85Å
114L86Confident87.8Confident6 Ų636.1 Ų36.13%0.03120%0.199CC..Hα-helixtrans-61.7-37.4175.9-71.9172.6000112.6R110 L111 R119 V124 D326 I330R110-L114 WeakPolarHBondContact O-CG 3.31Å; R110-L114 PolarHBondContact O-N 3.31Å; L111-L114 PolarHBondContact O-N 3.28Å; L114-R119 CarbonylContact O-C 3.59Å; L114-R119 WeakPolarHBondContact O-CB 3.18Å; L114-V124 HydrophobicContact CD2-CG2 3.45Å; L114-V124 VanDerWaalsContact CD2-CG2 3.45Å; L114-D326 HydrophobicContact CD1-CB 4.42Å; L114-D326 HydrophobicContact CD2-CB 4.42Å; L114-I330 HydrophobicContact CD1-CB 4.43Å; L114-I330 HydrophobicContact CD1-CG1 3.84Å
115T82.7Confident87.6Confident73 Ų7335.3 Ų35.345%0.44819%0.194SC..THydrogen-bonded Turntrans-93.421-178.866.90000114.2L111 T112 W113L111-T115 WeakPolarHBondContact O-CG2 3.23Å; L111-T115 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-OG1 3.11Å; T112-T115 CarbonylContact O-C 3.6Å; T112-T115 PolarHBondContact O-N 2.89Å; W113-T115 VanDerWaalsContact C-N 3.32Å; W113-T115 PolarHBondContact O-N 3.35Å
116S83.4Confident87.4Confident42 Ų4234 Ų3429%0.29419%0.186SC..SBendtrans-121.9150.4-178.259.20000113.4T112 W113 R119T112-S116 WeakPolarHBondContact O-CB 3.47Å; T112-S116 PolarHBondContact O-N 3.41Å; T112-S116 PolarHBondContact O-OG 3.45Å; W113-S116 WeakPolarHBondContact CA-OG 3.41Å; W113-S116 PolarHBondContact O-N 3.42Å; W113-S116 PolarHBondContact O-OG 3.08Å; S116-R119 WeakPolarHBondContact O-CB 3.49Å; S116-R119 VanDerWaalsContact O-CZ 3.3Å; S116-R119 PolarHBondContact O-N 3.23Å; S116-R119 PolarHBondContact O-NE 3.13Å; S116-R119 PolarHBondContact O-NH2 3.25Å; S116-R119 PolarHBondContact OG-NH2 2.73Å
117G84Confident87.3Confident33 Ų3333.1 Ų33.134%0.3418%0.18SC..THydrogen-bonded Turntrans60.6-139.6175.500000112.5R119 S120 E157G117-R119 PolarHBondContact O-N 3.21Å; G117-S120 PolarHBondContact O-OG 3.02Å; G117-E157 VanDerWaalsContact CA-OE1 3.29Å; G117-E157 WeakPolarHBondContact CA-OE1 3.15Å
118S88.4Confident87.2Confident0 Ų038.5 Ų38.50%021%0.205CC..Hα-helixtrans-65.6-21.3176.661.80000114.3S120 I121 F122 E157 Q158S118-S120 PolarHBondContact O-N 3.19Å; S118-I121 PolarHBondContact O-N 3.11Å; S118-F122 WeakPolarHBondContact O-CD2 3.4Å; S118-F122 PolarHBondContact O-N 3.01Å; S118-E157 WeakPolarHBondContact CB-OE2 3.41Å; S118-E157 PolarHBondContact N-OE2 3.25Å; S118-E157 PolarHBondContact OG-OE2 3.38Å; S118-Q158 WeakPolarHBondContact OG-CG 3.5Å; S118-Q158 PolarHBondContact OG-NE2 3.37Å
119R87.4Confident87.3Confident16 Ų1631.3 Ų31.36%0.0618%0.18CC..Hα-helixtrans-71.1-29.1-174.3-66.9167.1-66.5-67.8-6.5112.9W113 L114 S116 G117 I121 G123 V124 E157 Q158W113-R119 PolarHBondContact O-NE 3.05Å; L114-R119 CarbonylContact O-C 3.59Å; L114-R119 WeakPolarHBondContact O-CB 3.18Å; S116-R119 WeakPolarHBondContact O-CB 3.49Å; S116-R119 VanDerWaalsContact O-CZ 3.3Å; S116-R119 PolarHBondContact O-N 3.23Å; S116-R119 PolarHBondContact O-NE 3.13Å; S116-R119 PolarHBondContact O-NH2 3.25Å; S116-R119 PolarHBondContact OG-NH2 2.73Å; G117-R119 PolarHBondContact O-N 3.21Å; R119-I121 VanDerWaalsContact C-N 3.34Å; R119-G123 CarbonylContact O-C 3.57Å; R119-G123 WeakPolarHBondContact O-CA 3.45Å; R119-G123 PolarHBondContact O-N 3.17Å; R119-G123 VanDerWaalsContact O-N 3.09Å; R119-V124 HydrophobicContact CB-CG2 4.47Å; R119-V124 HydrophobicContact CG-CG2 4.29Å; R119-E157 IonicContact CZ-OE2 3.81Å; R119-E157 IonicContact NH1-OE2 3.92Å; R119-E157 PolarHBondContact NH1-OE2 2.89Å; R119-E157 IonicContact NH2-OE2 3.04Å; R119-Q158 HydrophobicContact CG-CG 4.34Å
120S85.5Confident87.6Confident29 Ų2927.4 Ų27.420%0.20316%0.159CC..Hα-helixtrans-71-30.2172.756.60000112.7G117 S118 H282 Y284G117-S120 PolarHBondContact O-OG 3.02Å; S118-S120 PolarHBondContact O-N 3.19Å; S120-H282 PolarHBondContact O-CE1 2.69Å; S120-H282 PolarHBondContact O-NE2 3Å; S120-Y284 WeakPolarHBondContact O-CD2 3.49Å
121I87.3Confident87.7Confident19 Ų1927.4 Ų27.410%0.09716%0.159CC..Hα-helixtrans-89.4-44.1-174.1-55.1179.9000111.9S118 R119 V257 Y259 H282 Y284S118-I121 PolarHBondContact O-N 3.11Å; R119-I121 VanDerWaalsContact C-N 3.34Å; I121-V257 WeakPolarHBondContact O-CG1 3.34Å; I121-Y259 HydrophobicContact CG2-CD2 3.64Å; I121-Y259 HydrophobicContact CG2-CE2 3.6Å; I121-H282 PolarHBondContact O-CD2 3.46Å; I121-H282 PolarHBondContact O-NE2 3.41Å; I121-Y284 HydrophobicContact CB-CD2 4.49Å; I121-Y284 HydrophobicContact CB-CG 4.44Å; I121-Y284 HydrophobicContact CG1-CD1 4.49Å; I121-Y284 HydrophobicContact CG1-CD2 4.26Å; I121-Y284 HydrophobicContact CG1-CE1 4.19Å; I121-Y284 HydrophobicContact CG1-CE2 3.94Å; I121-Y284 HydrophobicContact CG2-CD1 3.99Å; I121-Y284 HydrophobicContact CG2-CE1 4.32Å; I121-Y284 HydrophobicContact CG2-CG 4.21Å
122F89.6Confident88Confident6 Ų625.8 Ų25.83%0.02615%0.15CC..Hα-helixtrans-113.2-2.2-172.3-55.6-82.4000114S118 S150 L151 L154 I230 V257S118-F122 WeakPolarHBondContact O-CD2 3.4Å; S118-F122 PolarHBondContact O-N 3.01Å; F122-S150 WeakPolarHBondContact CE2-O 3.19Å; F122-L151 HydrophobicContact CE1-CD2 3.8Å; F122-L151 HydrophobicContact CZ-CD2 3.82Å; F122-L151 HydrophobicContact CZ-CG 4.34Å; F122-L154 HydrophobicContact CB-CD1 3.8Å; F122-L154 HydrophobicContact CB-CD2 4.4Å; F122-L154 HydrophobicContact CD1-CD2 3.96Å; F122-L154 HydrophobicContact CD2-CB 3.96Å; F122-L154 HydrophobicContact CD2-CD1 3.72Å; F122-L154 HydrophobicContact CD2-CD2 4.05Å; F122-L154 HydrophobicContact CD2-CG 4.12Å; F122-L154 HydrophobicContact CE1-CD2 4.24Å; F122-L154 HydrophobicContact CE2-CB 3.92Å; F122-L154 HydrophobicContact CE2-CD2 4.32Å; F122-L154 HydrophobicContact CE2-CG 4.49Å; F122-L154 HydrophobicContact CG-CD1 3.84Å; F122-L154 HydrophobicContact CG-CD2 3.87Å; F122-L154 HydrophobicContact CG-CG 4.32Å; F122-L154 HydrophobicContact CZ-CD2 4.41Å; F122-I230 HydrophobicContact CD1-CD1 3.81Å; F122-I230 HydrophobicContact CD1-CG1 4.39Å; F122-I230 HydrophobicContact CD1-CG2 4.37Å; F122-I230 HydrophobicContact CE1-CD1 3.93Å; F122-I230 HydrophobicContact CE1-CG2 4.02Å; F122-V257 HydrophobicContact CB-CG2 4.35Å; F122-V257 HydrophobicContact CD1-CG1 3.95Å; F122-V257 HydrophobicContact CD1-CG2 4.47Å
123G87Confident88.3Confident10 Ų1022.2 Ų22.210%0.10313%0.129CC..  trans75.1-174.2-168.900000112.5R119 Q158 H282R119-G123 CarbonylContact O-C 3.57Å; R119-G123 WeakPolarHBondContact O-CA 3.45Å; R119-G123 PolarHBondContact O-N 3.17Å; R119-G123 VanDerWaalsContact O-N 3.09Å; G123-Q158 PolarHBondContact O-NE2 2.82Å; G123-Q158 PolarHBondContact O-OE1 3.25Å; G123-H282 WeakPolarHBondContact CA-ND1 3.36Å; G123-H282 PolarHBondContact N-CE1 3.28Å; G123-H282 VanDerWaalsContact N-CE1 3.28Å; G123-H282 PolarHBondContact N-ND1 2.98Å; G123-H282 PolarHBondContact N-NE2 2.89Å
124V88.4Confident88.5Confident5 Ų521.1 Ų21.13%0.0313%0.125CC..  trans-90.8119.3177.2-178.30000110.1W113 L114 R119 Q126 R280W113-V124 HydrophobicContact CH2-CG1 4.03Å; W113-V124 HydrophobicContact CH2-CG2 4.24Å; W113-V124 HydrophobicContact CZ3-CG1 4.32Å; W113-V124 HydrophobicContact CZ3-CG2 3.85Å; L114-V124 HydrophobicContact CD2-CG2 3.45Å; L114-V124 VanDerWaalsContact CD2-CG2 3.45Å; R119-V124 HydrophobicContact CB-CG2 4.47Å; R119-V124 HydrophobicContact CG-CG2 4.29Å; V124-Q126 HydrophobicContact CG1-CG 4.08Å; V124-R280 PolarHBondContact O-NH1 3.35Å; V124-R280 PolarHBondContact O-NH2 3.04Å; V124-R280 VanDerWaalsContact O-NH2 3.07Å
125I88.8Confident88.6Confident4 Ų421 Ų212%0.02112%0.124CC..  trans-78130.3168-60.2157.9000108.3F132 L154 Q158 M162 Y228I125-F132 HydrophobicContact CD1-CE1 3.8Å; I125-F132 HydrophobicContact CD1-CZ 3.65Å; I125-F132 HydrophobicContact CG1-CE1 4.44Å; I125-F132 HydrophobicContact CG1-CZ 4.33Å; I125-L154 HydrophobicContact CD1-CD1 3.69Å; I125-L154 HydrophobicContact CD1-CG 4.4Å; I125-Q158 HydrophobicContact CD1-CB 3.98Å; I125-M162 HydrophobicContact CG2-CE 4.33Å; I125-M162 HydrophobicContact CG2-CG 4.45Å; I125-M162 HydrophobicContact CG2-SD 4.02Å; I125-Y228 WeakPolarHBondContact CA-OH 3.35Å; I125-Y228 HydrophobicContact CG1-CE1 4.13Å; I125-Y228 HydrophobicContact CG1-CE2 4.34Å; I125-Y228 HydrophobicContact CG2-CE2 4.21Å
126Q86.2Confident88.7Confident48 Ų4817.7 Ų17.722%0.22410%0.103CC..  trans-121.3-12.9-172.8-62.4170.217.800112V124V124-Q126 HydrophobicContact CG1-CG 4.08Å
127E88.9Confident88.4Confident26 Ų2617.8 Ų17.812%0.12110%0.098CC..  trans-94.8136.6-170.9-57.378.9-172.100109.7S129 E225 S226 Y228 H255 R280E127-S129 VanDerWaalsContact C-N 3.31Å; E127-E225 WeakPolarHBondContact CA-OE2 3.45Å; E127-E225 HydrophobicContact CB-CB 4.05Å; E127-E225 HydrophobicContact CG-CB 4.4Å; E127-S226 WeakPolarHBondContact CG-OG 3.22Å; E127-Y228 PolarHBondContact OE2-OH 3.18Å; E127-H255 IonicContact OE1-CE1 2.79Å; E127-H255 IonicContact OE1-NE2 3.2Å; E127-H255 PolarHBondContact OE1-NE2 3.38Å; E127-R280 IonicContact OE1-CZ 3.89Å; E127-R280 IonicContact OE1-NE 3.91Å; E127-R280 IonicContact OE1-NH2 2.59Å; E127-R280 PolarHBondContact OE1-NH2 3.33Å; E127-R280 IonicContact OE2-NH2 3.64Å; E127-R280 PolarHBondContact OE2-NH2 3.48Å
128H89.4Confident88Confident113 Ų11316.4 Ų16.452%0.5238%0.083SC..SBendtrans-84.2-13-175.9-58.971.1000111.8K163 M164 E225H128-K163 HydrophobicContact CB-CB 4.24Å; H128-K163 WeakPolarHBondContact O-CA 3.39Å; H128-K163 WeakPolarHBondContact O-CB 3.3Å; H128-K163 PolarHBondContact O-N 3.32Å; H128-M164 PolarHBondContact O-N 2.95Å; H128-E225 PolarHBondContact N-OE2 3.3Å; H128-E225 IonicContact ND1-OE2 3.02Å
129S91.6Very high87.3Confident12 Ų1223.1 Ų23.18%0.08412%0.115CC..EExtended strand (participates in β ladder)trans-142.7114.5176.455.30000111.2E127 M164 E225 S226E127-S129 VanDerWaalsContact C-N 3.31Å; S129-M164 WeakPolarHBondContact CA-O 3.29Å; S129-E225 PolarHBondContact N-OE1 3.25Å; S129-E225 WeakPolarHBondContact O-CA 3.32Å; S129-E225 WeakPolarHBondContact O-CB 3.3Å; S129-E225 PolarHBondContact O-N 3.01Å; S129-E225 WeakPolarHBondContact OG-CG 3.24Å; S129-E225 PolarHBondContact OG-N 3.27Å; S129-E225 VanDerWaalsContact OG-N 3.12Å; S129-E225 PolarHBondContact OG-OE1 2.79Å; S129-S226 PolarHBondContact O-N 2.81Å
130A93.1Very high87Confident0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-145.6162.6178.900000112.8F132 M162 M164 I165 N166 S226 Y228A130-F132 HydrophobicContact CB-CE2 4.24Å; A130-M162 HydrophobicContact CB-CE 3.56Å; A130-M164 PolarHBondContact N-O 3.31Å; A130-I165 WeakPolarHBondContact O-CA 3.47Å; A130-N166 PolarHBondContact O-N 3.08Å; A130-S226 VanDerWaalsContact CA-O 3.29Å; A130-S226 WeakPolarHBondContact CA-O 3.26Å; A130-S226 WeakPolarHBondContact CB-O 3.45Å; A130-S226 WeakPolarHBondContact CB-OG 3.26Å; A130-Y228 HydrophobicContact CB-CD2 3.93Å; A130-Y228 HydrophobicContact CB-CE2 4.2Å
131V93.6Very high86.8Confident0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-118.7129.2175.3-179.60000109.2N166 I168 L181 M217 F220 F224 S226 Y228V131-N166 WeakPolarHBondContact CA-O 3.46Å; V131-N166 HydrophobicContact CG1-CB 4.33Å; V131-N166 HydrophobicContact CG2-CB 4.33Å; V131-I168 HydrophobicContact CG1-CD1 3.8Å; V131-I168 HydrophobicContact CG1-CG1 4.2Å; V131-L181 HydrophobicContact CG2-CD1 3.91Å; V131-L181 HydrophobicContact CG2-CG 4.39Å; V131-M217 HydrophobicContact CB-CE 3.51Å; V131-M217 HydrophobicContact CB-SD 4.29Å; V131-M217 HydrophobicContact CG1-CE 3.56Å; V131-M217 HydrophobicContact CG1-CG 4.09Å; V131-M217 HydrophobicContact CG1-SD 3.65Å; V131-M217 HydrophobicContact CG2-CE 4.06Å; V131-F220 HydrophobicContact CG1-CE2 4.26Å; V131-F220 HydrophobicContact CG2-CD2 4.3Å; V131-F220 HydrophobicContact CG2-CE2 4.01Å; V131-F224 HydrophobicContact CG2-CD1 4.05Å; V131-F224 HydrophobicContact CG2-CE1 4.37Å; V131-F224 HydrophobicContact CG2-CG 4.13Å; V131-S226 PolarHBondContact N-O 3.06Å; V131-Y228 PolarHBondContact O-N 3.45Å
132F94.1Very high86.6Confident2 Ų232.2 Ų32.21%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-102.7117.2-179.2-63-97.9000110.7I125 A130 L154 I159 M162 I165 N166 M167 I168 Y228 I230I125-F132 HydrophobicContact CD1-CE1 3.8Å; I125-F132 HydrophobicContact CD1-CZ 3.65Å; I125-F132 HydrophobicContact CG1-CE1 4.44Å; I125-F132 HydrophobicContact CG1-CZ 4.33Å; A130-F132 HydrophobicContact CB-CE2 4.24Å; F132-L154 HydrophobicContact CE1-CD2 4.49Å; F132-I159 HydrophobicContact CE2-CD1 4.4Å; F132-I159 HydrophobicContact CE2-CG1 4.35Å; F132-I159 HydrophobicContact CZ-CG1 4.35Å; F132-M162 HydrophobicContact CE2-CE 4.08Å; F132-M162 HydrophobicContact CE2-SD 3.97Å; F132-M162 HydrophobicContact CZ-CE 4.41Å; F132-M162 HydrophobicContact CZ-SD 4.1Å; F132-I165 HydrophobicContact CD2-CD1 3.63Å; F132-I165 HydrophobicContact CD2-CG1 3.88Å; F132-I165 HydrophobicContact CE2-CD1 3.48Å; F132-I165 VanDerWaalsContact CE2-CD1 3.48Å; F132-I165 HydrophobicContact CE2-CG1 3.95Å; F132-N166 PolarHBondContact N-O 3.17Å; F132-M167 HydrophobicContact CB-CE 3.73Å; F132-M167 HydrophobicContact CB-CG 4.11Å; F132-M167 HydrophobicContact CD2-CG 4.5Å; F132-M167 HydrophobicContact CG-CE 4.19Å; F132-M167 CarbonylContact O-C 3.51Å; F132-M167 WeakPolarHBondContact O-CA 3.41Å; F132-I168 PolarHBondContact O-N 3.3Å; F132-Y228 CarbonylContact C-O 3.54Å; F132-Y228 WeakPolarHBondContact CA-O 3.35Å; F132-Y228 HydrophobicContact CD1-CD2 4.37Å; F132-Y228 AromaticContact CD1-CG 3.87Å; F132-Y228 HydrophobicContact CD1-CG 3.87Å; F132-Y228 HydrophobicContact CE1-CD1 4.03Å; F132-Y228 AromaticContact CE1-CD2 3.76Å; F132-Y228 HydrophobicContact CE1-CD2 3.76Å; F132-Y228 HydrophobicContact CE1-CE2 4.45Å; F132-Y228 AromaticContact CE1-CG 3.51Å; F132-Y228 HydrophobicContact CE1-CG 3.51Å; F132-Y228 AromaticContact CZ-CD2 3.92Å; F132-Y228 HydrophobicContact CZ-CD2 3.92Å; F132-Y228 HydrophobicContact CZ-CE2 4.41Å; F132-Y228 HydrophobicContact CZ-CG 4.16Å; F132-I230 HydrophobicContact CD1-CD1 4.08Å
133L92.4Very high86.3Confident0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-90.3125169.4-63.5-178.5000109.1I168 C213 I214 M217 V227 Y228 L229 I230L133-I168 CarbonylContact C-O 3.54Å; L133-I168 WeakPolarHBondContact CA-O 3.47Å; L133-I168 HydrophobicContact CD2-CB 3.88Å; L133-I168 HydrophobicContact CD2-CD1 3.99Å; L133-I168 HydrophobicContact CD2-CG1 4.38Å; L133-I168 HydrophobicContact CD2-CG2 4.43Å; L133-C213 HydrophobicContact CD1-CB 4.45Å; L133-C213 HydrophobicContact CD2-CB 3.72Å; L133-I214 HydrophobicContact CD1-CD1 4.32Å; L133-I214 HydrophobicContact CD1-CG1 3.57Å; L133-M217 HydrophobicContact CD1-SD 3.93Å; L133-M217 HydrophobicContact CD2-SD 3.47Å; L133-M217 WeakPolarHBondContact CD2-SD 3.44Å; L133-M217 HydrophobicContact CG-SD 3.79Å; L133-V227 HydrophobicContact CD1-CG1 4.12Å; L133-V227 HydrophobicContact CG-CG1 4.32Å; L133-Y228 PolarHBondContact N-O 3.15Å; L133-L229 HydrophobicContact CB-CB 4.43Å; L133-L229 HydrophobicContact CB-CD1 3.66Å; L133-L229 HydrophobicContact CD1-CD1 4.33Å; L133-I230 PolarHBondContact O-N 2.97Å
134L91.5Very high86.3Confident0 Ų035.8 Ų35.80%018%0.18CC..EExtended strand (participates in β ladder)trans-107.9100.5178-54.8-179.7000109.3I136 L151 M167 I168 C170 W195 L199 I230L134-I136 HydrophobicContact CB-CD1 4.23Å; L134-I136 HydrophobicContact CB-CG1 4.13Å; L134-I136 PolarHBondContact O-N 2.83Å; L134-L151 HydrophobicContact CD1-CD1 3.98Å; L134-L151 HydrophobicContact CD2-CD1 4.19Å; L134-L151 HydrophobicContact CD2-CD2 4.09Å; L134-M167 HydrophobicContact CD1-CE 4.04Å; L134-M167 HydrophobicContact CD2-CE 3.93Å; L134-M167 HydrophobicContact CG-CE 4.26Å; L134-I168 PolarHBondContact N-O 3.44Å; L134-C170 PolarHBondContact O-N 3.23Å; L134-W195 HydrophobicContact CD1-CH2 4.4Å; L134-W195 HydrophobicContact CD1-CZ3 4.19Å; L134-L199 HydrophobicContact CD1-CD1 4.17Å; L134-I230 HydrophobicContact CD2-CB 4.03Å; L134-I230 HydrophobicContact CD2-CD1 3.83Å; L134-I230 HydrophobicContact CD2-CG1 4.33Å
135D87.9Confident86.2Confident3 Ų338.1 Ų38.12%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-93.990.7173.7-17011.4000109.5K137 C170 T210 L229 I230 T231 E232D135-K137 WeakPolarHBondContact OD1-CE 3.43Å; D135-K137 IonicContact OD1-NZ 2.9Å; D135-K137 PolarHBondContact OD1-NZ 2.86Å; D135-K137 IonicContact OD2-NZ 2.78Å; D135-K137 PolarHBondContact OD2-NZ 2.84Å; D135-C170 HydrophobicContact CB-CB 4.19Å; D135-T210 PolarHBondContact OD2-OG1 3.39Å; D135-L229 HydrophobicContact CB-CD1 4.2Å; D135-I230 PolarHBondContact N-O 3.49Å; D135-T231 HydrophobicContact CB-CG2 4.27Å; D135-E232 PolarHBondContact O-N 3.07Å
136I85.4Confident86Confident4 Ų441.2 Ų41.22%0.02121%0.213CC..  trans-104.1114.6-173.3-49.8176.4000109.1L134 F144 F147 L199L134-I136 HydrophobicContact CB-CD1 4.23Å; L134-I136 HydrophobicContact CB-CG1 4.13Å; L134-I136 PolarHBondContact O-N 2.83Å; I136-F144 HydrophobicContact CD1-CE2 4.37Å; I136-F144 HydrophobicContact CG2-CD2 3.89Å; I136-F144 HydrophobicContact CG2-CE2 3.95Å; I136-F147 HydrophobicContact CD1-CD1 4.35Å; I136-F147 HydrophobicContact CD1-CE1 3.75Å; I136-F147 HydrophobicContact CG1-CD1 4.48Å; I136-F147 HydrophobicContact CG1-CE1 3.73Å; I136-F147 HydrophobicContact CG1-CZ 4.42Å; I136-L199 HydrophobicContact CD1-CD1 4.48Å
137K76.9Confident86.2Confident43 Ų4338.9 Ų38.919%0.18720%0.202CC..  trans-125.716.1-178.2-70.7170.1178.8146.90113.2D135 Q139 S235D135-K137 WeakPolarHBondContact OD1-CE 3.43Å; D135-K137 IonicContact OD1-NZ 2.9Å; D135-K137 PolarHBondContact OD1-NZ 2.86Å; D135-K137 IonicContact OD2-NZ 2.78Å; D135-K137 PolarHBondContact OD2-NZ 2.84Å; K137-Q139 PolarHBondContact O-N 3.27Å; K137-S235 VanDerWaalsContact CD-O 3.31Å; K137-S235 WeakPolarHBondContact CD-O 3.44Å; K137-S235 PolarHBondContact NZ-O 2.73Å
138T75.6Confident86.2Confident4 Ų438.2 Ų38.23%0.02520%0.2CC..  trans-64.9122.3-173.5-34.10000112.9S140 I143 F144 R201 E232T138-S140 WeakPolarHBondContact CG2-O 3.48Å; T138-I143 HydrophobicContact CG2-CB 3.68Å; T138-I143 HydrophobicContact CG2-CG2 3.7Å; T138-F144 HydrophobicContact CG2-CB 4.27Å; T138-R201 WeakPolarHBondContact O-CG 3.28Å; T138-E232 WeakPolarHBondContact CA-OE2 3.27Å; T138-E232 VanDerWaalsContact CB-OE2 3.23Å; T138-E232 WeakPolarHBondContact CB-OE2 3.26Å; T138-E232 PolarHBondContact N-OE2 3.34Å; T138-E232 PolarHBondContact OG1-OE2 3.04Å
139Q72.7Confident86.2Confident142 Ų14236 Ų3666%0.66419%0.192SC*.  trans-83.7-32.4170.6-61.1-61.2-31.100112.3K137 R201K137-Q139 PolarHBondContact O-N 3.27Å; Q139-R201 PolarHBondContact O-NH1 3.37Å
140S80.7Confident86.1Confident35 Ų3536.1 Ų36.125%0.24519%0.193CC..  trans-72.5132.8179.1-179.40000112.2T138 E142 F144T138-S140 WeakPolarHBondContact CG2-O 3.48Å; S140-E142 VanDerWaalsContact C-N 3.32Å; S140-E142 PolarHBondContact OG-N 3.3Å; S140-F144 WeakPolarHBondContact O-CB 3.4Å; S140-F144 PolarHBondContact O-N 3.5Å
141P83Confident86Confident76 Ų7636.2 Ų36.249%0.49419%0.193SC..Hα-helixtrans-72.2-27174.131.3-32.4000112.7S145P141-S145 WeakPolarHBondContact O-CB 3.45Å; P141-S145 PolarHBondContact O-N 3.15Å
142E82.6Confident85.9Confident144 Ų14437.7 Ų37.767%0.67320%0.199SC*.Hα-helixtrans-70.3-56.5-179.3-63.2171.117100109.7S140 F144 S145 D146S140-E142 VanDerWaalsContact C-N 3.32Å; S140-E142 PolarHBondContact OG-N 3.3Å; E142-F144 PolarHBondContact O-N 2.89Å; E142-S145 WeakPolarHBondContact O-CA 3.48Å; E142-S145 WeakPolarHBondContact O-CB 3.47Å; E142-S145 PolarHBondContact O-N 3.45Å; E142-D146 PolarHBondContact O-N 3.06Å
143I81.9Confident85.6Confident65 Ų6540 Ų4033%0.33322%0.215SC..Hα-helixtrans-57.3-38.4177.3-57.9175000111.1T138 D146 F147 Y259T138-I143 HydrophobicContact CG2-CB 3.68Å; T138-I143 HydrophobicContact CG2-CG2 3.7Å; I143-D146 PolarHBondContact O-N 3.43Å; I143-F147 VanDerWaalsContact O-CB 3.28Å; I143-F147 WeakPolarHBondContact O-CB 3.32Å; I143-F147 PolarHBondContact O-N 2.86Å; I143-Y259 HydrophobicContact CG2-CE1 4.37Å
144F87.2Confident85.6Confident26 Ų2640 Ų4011%0.11422%0.216CC..Hα-helixtrans-64.4-43175.9179.1-99.4000112.4I136 T138 S140 E142 F147 V148 L199 E200 R201I136-F144 HydrophobicContact CD1-CE2 4.37Å; I136-F144 HydrophobicContact CG2-CD2 3.89Å; I136-F144 HydrophobicContact CG2-CE2 3.95Å; T138-F144 HydrophobicContact CG2-CB 4.27Å; S140-F144 WeakPolarHBondContact O-CB 3.4Å; S140-F144 PolarHBondContact O-N 3.5Å; E142-F144 PolarHBondContact O-N 2.89Å; F144-F147 PolarHBondContact O-N 3.22Å; F144-V148 HydrophobicContact CD1-CG2 4.32Å; F144-V148 HydrophobicContact CE1-CG2 3.84Å; F144-V148 HydrophobicContact CE2-CG2 4.11Å; F144-V148 HydrophobicContact CZ-CG2 3.7Å; F144-V148 WeakPolarHBondContact O-CB 3.49Å; F144-V148 WeakPolarHBondContact O-CG2 3.34Å; F144-V148 PolarHBondContact O-N 3.01Å; F144-L199 HydrophobicContact CZ-CB 4.32Å; F144-L199 VanDerWaalsContact CZ-O 3.27Å; F144-L199 WeakPolarHBondContact CZ-O 3.48Å; F144-E200 WeakPolarHBondContact CZ-O 3.48Å; F144-R201 HydrophobicContact CB-CG 4.13Å; F144-R201 HydrophobicContact CD1-CB 3.95Å; F144-R201 HydrophobicContact CD1-CG 4.38Å; F144-R201 HydrophobicContact CD2-CB 4.19Å; F144-R201 HydrophobicContact CD2-CG 4.18Å; F144-R201 HydrophobicContact CE1-CB 4.15Å; F144-R201 HydrophobicContact CE2-CB 4.39Å; F144-R201 HydrophobicContact CG-CB 3.97Å; F144-R201 HydrophobicContact CG-CG 3.95Å; F144-R201 HydrophobicContact CZ-CB 4.38Å
145S87.1Confident85.6Confident54 Ų5440.1 Ų40.138%0.37822%0.216SC..Hα-helixtrans-60.4-44.5174.3169.80000111.5P141 E142 V148 N149P141-S145 WeakPolarHBondContact O-CB 3.45Å; P141-S145 PolarHBondContact O-N 3.15Å; E142-S145 WeakPolarHBondContact O-CA 3.48Å; E142-S145 WeakPolarHBondContact O-CB 3.47Å; E142-S145 PolarHBondContact O-N 3.45Å; S145-V148 PolarHBondContact O-N 3.18Å; S145-N149 WeakPolarHBondContact O-CB 3.34Å; S145-N149 PolarHBondContact O-N 2.74Å; S145-N149 PolarHBondContact O-ND2 3.2Å; S145-N149 VanDerWaalsContact O-ND2 3.11Å
146D85.4Confident85.6Confident68 Ų6840.6 Ų40.636%0.36422%0.22SC..Hα-helixtrans-70.6-35.7-178.9-62.9-32.3000112.3E142 I143 N149 S150E142-D146 PolarHBondContact O-N 3.06Å; I143-D146 PolarHBondContact O-N 3.43Å; D146-N149 PolarHBondContact O-N 3.41Å; D146-S150 WeakPolarHBondContact O-CB 3.49Å; D146-S150 PolarHBondContact O-N 3.32Å; D146-S150 PolarHBondContact O-OG 3.33Å
147F88.4Confident85.6Confident0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-62.6-47.3170.3-179.6-105.8000111.7I136 I143 F144 N149 S150 L151 I230 Y259I136-F147 HydrophobicContact CD1-CD1 4.35Å; I136-F147 HydrophobicContact CD1-CE1 3.75Å; I136-F147 HydrophobicContact CG1-CD1 4.48Å; I136-F147 HydrophobicContact CG1-CE1 3.73Å; I136-F147 HydrophobicContact CG1-CZ 4.42Å; I143-F147 VanDerWaalsContact O-CB 3.28Å; I143-F147 WeakPolarHBondContact O-CB 3.32Å; I143-F147 PolarHBondContact O-N 2.86Å; F144-F147 PolarHBondContact O-N 3.22Å; F147-N149 VanDerWaalsContact C-N 3.34Å; F147-N149 PolarHBondContact O-N 3.1Å; F147-S150 WeakPolarHBondContact O-CB 3.32Å; F147-S150 PolarHBondContact O-N 2.87Å; F147-L151 HydrophobicContact CD1-CD1 4.03Å; F147-L151 HydrophobicContact CE1-CD1 3.5Å; F147-L151 HydrophobicContact CE1-CG 4.2Å; F147-L151 HydrophobicContact CZ-CD1 3.89Å; F147-L151 HydrophobicContact CZ-CD2 4.35Å; F147-L151 HydrophobicContact CZ-CG 4.23Å; F147-L151 WeakPolarHBondContact O-CG 3.33Å; F147-L151 PolarHBondContact O-N 3.49Å; F147-I230 HydrophobicContact CE2-CG2 3.6Å; F147-I230 HydrophobicContact CZ-CG2 3.67Å; F147-Y259 HydrophobicContact CB-CD1 4.49Å; F147-Y259 HydrophobicContact CB-CE1 3.95Å; F147-Y259 AromaticContact CD2-CD1 3.64Å; F147-Y259 HydrophobicContact CD2-CD1 3.64Å; F147-Y259 HydrophobicContact CD2-CD2 4.05Å; F147-Y259 AromaticContact CD2-CE1 3.85Å; F147-Y259 HydrophobicContact CD2-CE1 3.85Å; F147-Y259 HydrophobicContact CD2-CE2 4.24Å; F147-Y259 AromaticContact CD2-CG 3.75Å; F147-Y259 HydrophobicContact CD2-CG 3.75Å; F147-Y259 HydrophobicContact CE2-CD1 4.37Å; F147-Y259 HydrophobicContact CE2-CD2 4.48Å; F147-Y259 HydrophobicContact CE2-CG 4.13Å; F147-Y259 HydrophobicContact CG-CD1 4.48Å; F147-Y259 HydrophobicContact CG-CE1 4.38Å
148V90.2Very high86.2Confident11 Ų1139.9 Ų39.97%0.06722%0.217CC..Hα-helixtrans-59.6-42.2175.3161.70000111.6F144 S145 L151 K152 I196F144-V148 HydrophobicContact CD1-CG2 4.32Å; F144-V148 HydrophobicContact CE1-CG2 3.84Å; F144-V148 HydrophobicContact CE2-CG2 4.11Å; F144-V148 HydrophobicContact CZ-CG2 3.7Å; F144-V148 WeakPolarHBondContact O-CB 3.49Å; F144-V148 WeakPolarHBondContact O-CG2 3.34Å; F144-V148 PolarHBondContact O-N 3.01Å; S145-V148 PolarHBondContact O-N 3.18Å; V148-L151 PolarHBondContact O-N 2.97Å; V148-K152 WeakPolarHBondContact O-CG 3.38Å; V148-K152 PolarHBondContact O-N 3.42Å; V148-K152 VanDerWaalsContact O-N 3.13Å; V148-I196 HydrophobicContact CG1-CG2 3.87Å
149N88.8Confident86.9Confident68 Ų6839.7 Ų39.736%0.36422%0.216SC..Hα-helixtrans-68.6-36.9176.3-67.4-31.5000112.1S145 D146 F147 L151 K152 C153S145-N149 WeakPolarHBondContact O-CB 3.34Å; S145-N149 PolarHBondContact O-N 2.74Å; S145-N149 PolarHBondContact O-ND2 3.2Å; S145-N149 VanDerWaalsContact O-ND2 3.11Å; D146-N149 PolarHBondContact O-N 3.41Å; F147-N149 VanDerWaalsContact C-N 3.34Å; F147-N149 PolarHBondContact O-N 3.1Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 2.88Å; N149-K152 WeakPolarHBondContact O-CB 3.43Å; N149-K152 PolarHBondContact O-N 3.07Å; N149-K152 PolarHBondContact OD1-NZ 3.49Å; N149-K152 VanDerWaalsContact OD1-NZ 3.08Å; N149-C153 PolarHBondContact O-N 2.87Å; N149-C153 VanDerWaalsContact O-N 3.15Å
150S89Confident87.6Confident14 Ų1433.8 Ų33.810%0.09819%0.191CC..Hα-helixtrans-61.3-41.1172.8-60.80000111.7F122 D146 F147 K152 C153 L154F122-S150 WeakPolarHBondContact CE2-O 3.19Å; D146-S150 WeakPolarHBondContact O-CB 3.49Å; D146-S150 PolarHBondContact O-N 3.32Å; D146-S150 PolarHBondContact O-OG 3.33Å; F147-S150 WeakPolarHBondContact O-CB 3.32Å; F147-S150 PolarHBondContact O-N 2.87Å; S150-K152 PolarHBondContact O-N 3.16Å; S150-C153 WeakPolarHBondContact O-CB 3.48Å; S150-C153 PolarHBondContact O-N 3.45Å; S150-L154 PolarHBondContact O-N 2.88Å
151L92.2Very high87.7Confident1 Ų135.4 Ų35.41%0.00520%0.197CC..Hα-helixtrans-65.6-33.5174.2-68.6175.7000113.1F122 L134 F147 V148 N149 C153 L154 I155 I196 I230F122-L151 HydrophobicContact CE1-CD2 3.8Å; F122-L151 HydrophobicContact CZ-CD2 3.82Å; F122-L151 HydrophobicContact CZ-CG 4.34Å; L134-L151 HydrophobicContact CD1-CD1 3.98Å; L134-L151 HydrophobicContact CD2-CD1 4.19Å; L134-L151 HydrophobicContact CD2-CD2 4.09Å; F147-L151 HydrophobicContact CD1-CD1 4.03Å; F147-L151 HydrophobicContact CE1-CD1 3.5Å; F147-L151 HydrophobicContact CE1-CG 4.2Å; F147-L151 HydrophobicContact CZ-CD1 3.89Å; F147-L151 HydrophobicContact CZ-CD2 4.35Å; F147-L151 HydrophobicContact CZ-CG 4.23Å; F147-L151 WeakPolarHBondContact O-CG 3.33Å; F147-L151 PolarHBondContact O-N 3.49Å; V148-L151 PolarHBondContact O-N 2.97Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 2.88Å; L151-C153 VanDerWaalsContact C-N 3.34Å; L151-L154 HydrophobicContact CD2-CD2 4.14Å; L151-L154 WeakPolarHBondContact O-CB 3.42Å; L151-L154 PolarHBondContact O-N 2.9Å; L151-I155 WeakPolarHBondContact O-CG1 3Å; L151-I155 PolarHBondContact O-N 3.22Å; L151-I196 HydrophobicContact CB-CD1 3.59Å; L151-I196 HydrophobicContact CD1-CD1 4.04Å; L151-I196 HydrophobicContact CG-CD1 4.4Å; L151-I230 HydrophobicContact CD2-CD1 3.98Å
152K90.8Very high88Confident31 Ų3132.3 Ų32.314%0.13518%0.176CC..Hα-helixtrans-63.7-39.9172.5-65.6168.4-168.6164.80111.8V148 N149 S150 I155 S156 L193 I196 N197V148-K152 WeakPolarHBondContact O-CG 3.38Å; V148-K152 PolarHBondContact O-N 3.42Å; V148-K152 VanDerWaalsContact O-N 3.13Å; N149-K152 WeakPolarHBondContact O-CB 3.43Å; N149-K152 PolarHBondContact O-N 3.07Å; N149-K152 PolarHBondContact OD1-NZ 3.49Å; N149-K152 VanDerWaalsContact OD1-NZ 3.08Å; S150-K152 PolarHBondContact O-N 3.16Å; K152-I155 PolarHBondContact O-N 2.79Å; K152-S156 PolarHBondContact O-N 2.98Å; K152-S156 PolarHBondContact O-OG 3.26Å; K152-L193 HydrophobicContact CB-CD2 3.89Å; K152-L193 HydrophobicContact CG-CD2 3.84Å; K152-I196 HydrophobicContact CG-CG2 4.36Å; K152-N197 WeakPolarHBondContact CE-OD1 3.45Å; K152-N197 PolarHBondContact NZ-OD1 3.29Å
153C88.8Confident88.3Confident51 Ų5132.8 Ų32.835%0.34518%0.176SC..Hα-helixtrans-63.3-40.1171.6-64.90000111.6N149 S150 L151 S156 E157N149-C153 PolarHBondContact O-N 2.87Å; N149-C153 VanDerWaalsContact O-N 3.15Å; S150-C153 WeakPolarHBondContact O-CB 3.48Å; S150-C153 PolarHBondContact O-N 3.45Å; L151-C153 VanDerWaalsContact C-N 3.34Å; C153-S156 PolarHBondContact O-N 3.13Å; C153-S156 PolarHBondContact O-OG 3.1Å; C153-E157 WeakPolarHBondContact O-CB 3.47Å; C153-E157 WeakPolarHBondContact O-CG 3.17Å; C153-E157 PolarHBondContact O-N 2.93Å
154L92.1Very high88.8Confident1 Ų131.4 Ų31.41%0.00517%0.169CC..Hα-helixtrans-61.4-43.8175.1-17364.8000112.4F122 I125 F132 S150 L151 Q158 I159 I230F122-L154 HydrophobicContact CB-CD1 3.8Å; F122-L154 HydrophobicContact CB-CD2 4.4Å; F122-L154 HydrophobicContact CD1-CD2 3.96Å; F122-L154 HydrophobicContact CD2-CB 3.96Å; F122-L154 HydrophobicContact CD2-CD1 3.72Å; F122-L154 HydrophobicContact CD2-CD2 4.05Å; F122-L154 HydrophobicContact CD2-CG 4.12Å; F122-L154 HydrophobicContact CE1-CD2 4.24Å; F122-L154 HydrophobicContact CE2-CB 3.92Å; F122-L154 HydrophobicContact CE2-CD2 4.32Å; F122-L154 HydrophobicContact CE2-CG 4.49Å; F122-L154 HydrophobicContact CG-CD1 3.84Å; F122-L154 HydrophobicContact CG-CD2 3.87Å; F122-L154 HydrophobicContact CG-CG 4.32Å; F122-L154 HydrophobicContact CZ-CD2 4.41Å; I125-L154 HydrophobicContact CD1-CD1 3.69Å; I125-L154 HydrophobicContact CD1-CG 4.4Å; F132-L154 HydrophobicContact CE1-CD2 4.49Å; S150-L154 PolarHBondContact O-N 2.88Å; L151-L154 HydrophobicContact CD2-CD2 4.14Å; L151-L154 WeakPolarHBondContact O-CB 3.42Å; L151-L154 PolarHBondContact O-N 2.9Å; L154-Q158 HydrophobicContact CD1-CB 4.26Å; L154-Q158 PolarHBondContact O-N 3.46Å; L154-Q158 VanDerWaalsContact O-N 3.14Å; L154-I159 HydrophobicContact CD2-CD1 4.28Å; L154-I159 HydrophobicContact CG-CD1 4.01Å; L154-I159 HydrophobicContact CG-CG1 4.46Å; L154-I159 PolarHBondContact O-N 3.35Å; L154-I159 VanDerWaalsContact O-N 3.16Å; L154-I230 HydrophobicContact CD2-CD1 4.09Å
155I91.5Very high89.1Confident1 Ų130.1 Ų30.11%0.00516%0.163CC..Hα-helixtrans-60.3-51.9177.1-71.2173.7000110.9L151 K152 I159 A160 L189 M192 L193 I196L151-I155 WeakPolarHBondContact O-CG1 3Å; L151-I155 PolarHBondContact O-N 3.22Å; K152-I155 PolarHBondContact O-N 2.79Å; I155-I159 HydrophobicContact CG1-CD1 3.93Å; I155-A160 PolarHBondContact O-N 3.27Å; I155-A160 VanDerWaalsContact O-N 3.17Å; I155-L189 HydrophobicContact CG2-CD2 3.72Å; I155-M192 HydrophobicContact CD1-CB 3.89Å; I155-M192 HydrophobicContact CD1-CE 4.18Å; I155-M192 HydrophobicContact CG1-CE 4.21Å; I155-L193 HydrophobicContact CB-CD2 4.12Å; I155-L193 HydrophobicContact CD1-CD2 4.11Å; I155-L193 HydrophobicContact CG2-CD2 4.04Å; I155-L193 HydrophobicContact CG2-CG 4.06Å; I155-I196 HydrophobicContact CD1-CD1 3.45Å; I155-I196 VanDerWaalsContact CD1-CD1 3.45Å; I155-I196 HydrophobicContact CD1-CG1 4.04Å; I155-I196 HydrophobicContact CG1-CD1 4.41Å
156S86.7Confident89.4Confident14 Ų1427.6 Ų27.610%0.09815%0.145CC..Hα-helixtrans-74-29.5-172.650.50000114.4K152 C153K152-S156 PolarHBondContact O-N 2.98Å; K152-S156 PolarHBondContact O-OG 3.26Å; C153-S156 PolarHBondContact O-N 3.13Å; C153-S156 PolarHBondContact O-OG 3.1Å
157E86Confident89.8Confident30 Ų3024.3 Ų24.314%0.1413%0.128CC..Hα-helixtrans-97.7-38-176.5-67.4-175.3-178.900115.6G117 S118 R119 C153G117-E157 VanDerWaalsContact CA-OE1 3.29Å; G117-E157 WeakPolarHBondContact CA-OE1 3.15Å; S118-E157 WeakPolarHBondContact CB-OE2 3.41Å; S118-E157 PolarHBondContact N-OE2 3.25Å; S118-E157 PolarHBondContact OG-OE2 3.38Å; R119-E157 IonicContact CZ-OE2 3.81Å; R119-E157 IonicContact NH1-OE2 3.92Å; R119-E157 PolarHBondContact NH1-OE2 2.89Å; R119-E157 IonicContact NH2-OE2 3.04Å; C153-E157 WeakPolarHBondContact O-CB 3.47Å; C153-E157 WeakPolarHBondContact O-CG 3.17Å; C153-E157 PolarHBondContact O-N 2.93Å
158Q89.8Confident90Very high2 Ų224.3 Ų24.31%0.00913%0.128CC..THydrogen-bonded Turntrans-115.4-49.1-170.2-68.2-165.879.800113Q21 S118 R119 G123 I125 L154 A160 N161Q21-Q158 PolarHBondContact NE2-O 3.09Å; S118-Q158 WeakPolarHBondContact OG-CG 3.5Å; S118-Q158 PolarHBondContact OG-NE2 3.37Å; R119-Q158 HydrophobicContact CG-CG 4.34Å; G123-Q158 PolarHBondContact O-NE2 2.82Å; G123-Q158 PolarHBondContact O-OE1 3.25Å; I125-Q158 HydrophobicContact CD1-CB 3.98Å; L154-Q158 HydrophobicContact CD1-CB 4.26Å; L154-Q158 PolarHBondContact O-N 3.46Å; L154-Q158 VanDerWaalsContact O-N 3.14Å; Q158-A160 PolarHBondContact O-N 3.5Å; Q158-N161 PolarHBondContact O-N 2.92Å
159I90.3Very high90Very high0 Ų024 Ų240%013%0.125CC..G310 helixtrans-63-32.8179.5-72.3168000111.5F132 L154 I155 N161 M162 I165 L189 M192F132-I159 HydrophobicContact CE2-CD1 4.4Å; F132-I159 HydrophobicContact CE2-CG1 4.35Å; F132-I159 HydrophobicContact CZ-CG1 4.35Å; L154-I159 HydrophobicContact CD2-CD1 4.28Å; L154-I159 HydrophobicContact CG-CD1 4.01Å; L154-I159 HydrophobicContact CG-CG1 4.46Å; L154-I159 PolarHBondContact O-N 3.35Å; L154-I159 VanDerWaalsContact O-N 3.16Å; I155-I159 HydrophobicContact CG1-CD1 3.93Å; I159-N161 PolarHBondContact O-N 3.29Å; I159-M162 HydrophobicContact CB-SD 4.41Å; I159-M162 HydrophobicContact CG1-SD 4.04Å; I159-M162 WeakPolarHBondContact O-CB 3.03Å; I159-M162 PolarHBondContact O-N 3.49Å; I159-I165 HydrophobicContact CB-CD1 4.1Å; I159-I165 HydrophobicContact CD1-CD1 3.65Å; I159-I165 HydrophobicContact CG1-CD1 3.65Å; I159-I165 HydrophobicContact CG2-CD1 3.38Å; I159-L189 HydrophobicContact CG2-CD2 4.02Å; I159-M192 HydrophobicContact CG2-CE 4.35Å; I159-M192 HydrophobicContact CG2-SD 4.47Å
160A86.7Confident89.9Confident18 Ų1820.7 Ų20.715%0.14911%0.108CC..G310 helixtrans-55.7-19.5175.500000115I155 Q158 L189I155-A160 PolarHBondContact O-N 3.27Å; I155-A160 VanDerWaalsContact O-N 3.17Å; Q158-A160 PolarHBondContact O-N 3.5Å; A160-L189 HydrophobicContact CB-CD1 3.87Å; A160-L189 HydrophobicContact CB-CD2 4.37Å
161N83.8Confident89.8Confident68 Ų6822 Ų2236%0.36411%0.112SC..G310 helixtrans-99.9-5.3176.8-61.6-40.8000113.6Q21 Q158 I159Q21-N161 PolarHBondContact NE2-ND2 3.19Å; Q158-N161 PolarHBondContact O-N 2.92Å; I159-N161 PolarHBondContact O-N 3.29Å
162M88.4Confident89.3Confident12 Ų1225.4 Ų25.46%0.05913%0.13CC..  trans-74.7157.2176.6-63.6178.673.300110.6I125 A130 F132 I159 I165 V184I125-M162 HydrophobicContact CG2-CE 4.33Å; I125-M162 HydrophobicContact CG2-CG 4.45Å; I125-M162 HydrophobicContact CG2-SD 4.02Å; A130-M162 HydrophobicContact CB-CE 3.56Å; F132-M162 HydrophobicContact CE2-CE 4.08Å; F132-M162 HydrophobicContact CE2-SD 3.97Å; F132-M162 HydrophobicContact CZ-CE 4.41Å; F132-M162 HydrophobicContact CZ-SD 4.1Å; I159-M162 HydrophobicContact CB-SD 4.41Å; I159-M162 HydrophobicContact CG1-SD 4.04Å; I159-M162 WeakPolarHBondContact O-CB 3.03Å; I159-M162 PolarHBondContact O-N 3.49Å; M162-I165 HydrophobicContact SD-CD1 4.22Å; M162-V184 HydrophobicContact CB-CG2 4.16Å; M162-V184 VanDerWaalsContact O-CB 3.3Å; M162-V184 WeakPolarHBondContact O-CB 3.1Å; M162-V184 WeakPolarHBondContact O-CG2 3.37Å
163K88.9Confident89Confident153 Ų15329.8 Ų29.867%0.66515%0.152SC*.SBendtrans-87.6-43176.9-174.8-174.5177-176.30112H128 S183 V184H128-K163 HydrophobicContact CB-CB 4.24Å; H128-K163 WeakPolarHBondContact O-CA 3.39Å; H128-K163 WeakPolarHBondContact O-CB 3.3Å; H128-K163 PolarHBondContact O-N 3.32Å; K163-S183 WeakPolarHBondContact O-CA 3.46Å; K163-V184 PolarHBondContact O-N 3.15Å; K163-V184 VanDerWaalsContact O-N 3.08Å
164M92Very high88.9Confident36 Ų3627.9 Ų27.918%0.17714%0.138CC..EExtended strand (participates in β ladder)trans-136.1144.4-178.2-56.2-68.4-58.900110.4H128 S129 A130 L181 V182 K222H128-M164 PolarHBondContact O-N 2.95Å; S129-M164 WeakPolarHBondContact CA-O 3.29Å; A130-M164 PolarHBondContact N-O 3.31Å; M164-L181 HydrophobicContact CB-CD2 4.05Å; M164-L181 HydrophobicContact CE-CB 3.98Å; M164-L181 VanDerWaalsContact CE-O 3.32Å; M164-L181 WeakPolarHBondContact CE-O 3.27Å; M164-V182 CarbonylContact C-O 3.59Å; M164-V182 VanDerWaalsContact CA-O 3.26Å; M164-V182 WeakPolarHBondContact CA-O 3.17Å; M164-K222 HydrophobicContact CE-CD 3.95Å
165I93.7Very high88.8Confident0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-146.5156.8177.5-168.1160.3000112.3A130 F132 I159 M162 M167 V182 V184 M192A130-I165 WeakPolarHBondContact O-CA 3.47Å; F132-I165 HydrophobicContact CD2-CD1 3.63Å; F132-I165 HydrophobicContact CD2-CG1 3.88Å; F132-I165 HydrophobicContact CE2-CD1 3.48Å; F132-I165 VanDerWaalsContact CE2-CD1 3.48Å; F132-I165 HydrophobicContact CE2-CG1 3.95Å; I159-I165 HydrophobicContact CB-CD1 4.1Å; I159-I165 HydrophobicContact CD1-CD1 3.65Å; I159-I165 HydrophobicContact CG1-CD1 3.65Å; I159-I165 HydrophobicContact CG2-CD1 3.38Å; M162-I165 HydrophobicContact SD-CD1 4.22Å; I165-M167 HydrophobicContact CD1-CG 4.46Å; I165-V182 PolarHBondContact N-O 2.9Å; I165-V182 PolarHBondContact O-N 3.46Å; I165-V184 HydrophobicContact CB-CG2 4.22Å; I165-V184 HydrophobicContact CG2-CG2 3.76Å; I165-M192 HydrophobicContact CD1-CE 3.9Å; I165-M192 HydrophobicContact CG1-CE 4.48Å; I165-M192 HydrophobicContact CG2-CE 4.43Å; I165-M192 HydrophobicContact CG2-SD 3.88Å
166N93Very high88.8Confident0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-141.2156151.3-158.8-1.5000110A130 V131 F132 S178 L181 F220A130-N166 PolarHBondContact O-N 3.08Å; V131-N166 WeakPolarHBondContact CA-O 3.46Å; V131-N166 HydrophobicContact CG1-CB 4.33Å; V131-N166 HydrophobicContact CG2-CB 4.33Å; F132-N166 PolarHBondContact N-O 3.17Å; N166-S178 PolarHBondContact ND2-O 2.88Å; N166-S178 PolarHBondContact OD1-N 2.73Å; N166-S178 PolarHBondContact OD1-O 2.99Å; N166-L181 HydrophobicContact CB-CG 4.42Å; N166-F220 VanDerWaalsContact ND2-CZ 3.29Å; N166-F220 WeakPolarHBondContact ND2-CZ 3.19Å
167M93.9Very high89Confident0 Ų035 Ų350%017%0.166CC..EExtended strand (participates in β ladder)trans-125.9139.8170.5-57.7-165.283.400109.5F132 L134 I165 F177 M192 W195 I196F132-M167 HydrophobicContact CB-CE 3.73Å; F132-M167 HydrophobicContact CB-CG 4.11Å; F132-M167 HydrophobicContact CD2-CG 4.5Å; F132-M167 HydrophobicContact CG-CE 4.19Å; F132-M167 CarbonylContact O-C 3.51Å; F132-M167 WeakPolarHBondContact O-CA 3.41Å; L134-M167 HydrophobicContact CD1-CE 4.04Å; L134-M167 HydrophobicContact CD2-CE 3.93Å; L134-M167 HydrophobicContact CG-CE 4.26Å; I165-M167 HydrophobicContact CD1-CG 4.46Å; M167-F177 HydrophobicContact CB-CB 4.25Å; M167-F177 WeakPolarHBondContact O-CB 3.34Å; M167-F177 PolarHBondContact O-N 2.91Å; M167-M192 HydrophobicContact CG-CE 3.57Å; M167-M192 HydrophobicContact SD-CE 3.3Å; M167-M192 WeakPolarHBondContact SD-CE 3.48Å; M167-W195 HydrophobicContact CB-CH2 4.1Å; M167-W195 HydrophobicContact CB-CZ3 3.86Å; M167-I196 HydrophobicContact SD-CD1 4.34Å
168I92.4Very high89.2Confident0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-136.7128.3-177.3-47.1171.5000107.6V131 F132 L133 L134 P174 Y175 F176 M217 F220V131-I168 HydrophobicContact CG1-CD1 3.8Å; V131-I168 HydrophobicContact CG1-CG1 4.2Å; F132-I168 PolarHBondContact O-N 3.3Å; L133-I168 CarbonylContact C-O 3.54Å; L133-I168 WeakPolarHBondContact CA-O 3.47Å; L133-I168 HydrophobicContact CD2-CB 3.88Å; L133-I168 HydrophobicContact CD2-CD1 3.99Å; L133-I168 HydrophobicContact CD2-CG1 4.38Å; L133-I168 HydrophobicContact CD2-CG2 4.43Å; L134-I168 PolarHBondContact N-O 3.44Å; I168-P174 HydrophobicContact CG2-CB 3.96Å; I168-Y175 WeakPolarHBondContact CA-O 3.41Å; I168-F176 HydrophobicContact CD1-CD1 3.84Å; I168-F176 HydrophobicContact CD1-CE1 3.58Å; I168-F176 HydrophobicContact CG1-CD1 3.7Å; I168-F176 HydrophobicContact CG1-CE1 3.96Å; I168-F176 HydrophobicContact CG2-CD1 4.13Å; I168-F176 HydrophobicContact CG2-CE1 4.12Å; I168-F176 HydrophobicContact CG2-CG 4.41Å; I168-F176 HydrophobicContact CG2-CZ 4.38Å; I168-M217 HydrophobicContact CD1-CG 3.43Å; I168-M217 VanDerWaalsContact CD1-CG 3.43Å; I168-M217 HydrophobicContact CD1-SD 4.01Å; I168-F220 HydrophobicContact CD1-CE2 4.29Å; I168-F220 HydrophobicContact CD1-CZ 4.01Å
169R91Very high89Confident3 Ų342.6 Ų42.61%0.01121%0.211CC..EExtended strand (participates in β ladder)trans-86.2127.3170.3177.4-163.3-177.3115.67.5109.9Q171 Y175 L199 E200 S203R169-Q171 VanDerWaalsContact CD-OE1 3.26Å; R169-Q171 VanDerWaalsContact NE-OE1 3.13Å; R169-Q171 PolarHBondContact O-N 3.13Å; R169-Y175 PolarHBondContact N-O 3.26Å; R169-Y175 PolarHBondContact O-N 3.12Å; R169-L199 HydrophobicContact CB-CD2 4.41Å; R169-E200 PolarHBondContact NH1-O 3.44Å; R169-E200 PolarHBondContact NH2-O 3.4Å; R169-S203 PolarHBondContact NE-OG 2.96Å; R169-S203 VanDerWaalsContact NH2-CB 3.35Å; R169-S203 PolarHBondContact NH2-OG 3.06Å
170C88Confident88.9Confident0 Ų045.2 Ų45.20%022%0.223CC..  trans-74.5113.7173.7-57.60000110.1L134 D135 C209L134-C170 PolarHBondContact O-N 3.23Å; D135-C170 HydrophobicContact CB-CB 4.19Å; C170-C209 HydrophobicContact CB-CB 4.34Å
171Q86.7Confident89.1Confident41 Ų4144.4 Ų44.419%0.19222%0.216CC..SBendtrans-160.4176.2174.767.3179.925.800107.8R169 E173 F204R169-Q171 VanDerWaalsContact CD-OE1 3.26Å; R169-Q171 VanDerWaalsContact NE-OE1 3.13Å; R169-Q171 PolarHBondContact O-N 3.13Å; Q171-E173 VanDerWaalsContact C-N 3.33Å; Q171-E173 WeakPolarHBondContact CG-O 3.27Å; Q171-E173 PolarHBondContact NE2-O 3.12Å; Q171-E173 PolarHBondContact O-N 2.84Å; Q171-F204 WeakPolarHBondContact CB-O 3.13Å
172D81.5Confident89.5Confident72 Ų7242.8 Ų42.839%0.38521%0.209SC..SBendtrans-57.3-39.8-172.7-75.1-32.4000114.4F204 S206 C209D172-F204 PolarHBondContact N-O 3.09Å; D172-F204 WeakPolarHBondContact OD2-CB 3.38Å; D172-S206 WeakPolarHBondContact OD1-CA 3.33Å; D172-S206 WeakPolarHBondContact OD1-CB 3.45Å; D172-S206 PolarHBondContact OD1-N 2.68Å; D172-S206 PolarHBondContact OD1-OG 3.19Å; D172-C209 PolarHBondContact OD1-SG 2.4Å
173E84.2Confident89.6Confident124 Ų12445.1 Ų45.158%0.57923%0.226SC*.SBendtrans-110.6103.6162.2-82.1-62.6165.200109.2Q171 Y175 R216Q171-E173 VanDerWaalsContact C-N 3.33Å; Q171-E173 WeakPolarHBondContact CG-O 3.27Å; Q171-E173 PolarHBondContact NE2-O 3.12Å; Q171-E173 PolarHBondContact O-N 2.84Å; E173-Y175 PolarHBondContact O-N 2.94Å; E173-R216 IonicContact OE1-NH2 3.66Å; E173-R216 IonicContact OE2-CZ 2.64Å; E173-R216 IonicContact OE2-NH1 3.22Å; E173-R216 IonicContact OE2-NH2 3.88Å; E173-R216 PolarHBondContact OE2-NH2 3.06Å
174P86.3Confident89.5Confident10 Ų1039.2 Ų39.27%0.06520%0.203CC..  trans-51.6123.9-173.4-30.636.3000112.5I168 F176 C213I168-P174 HydrophobicContact CG2-CB 3.96Å; P174-F176 HydrophobicContact CB-CE2 3.78Å; P174-F176 HydrophobicContact CB-CZ 4.11Å; P174-F176 WeakPolarHBondContact O-CD2 3.49Å; P174-F176 VanDerWaalsContact O-CE2 3.25Å; P174-F176 WeakPolarHBondContact O-CE2 3.46Å; P174-C213 VanDerWaalsContact CG-SG 3.57Å
175Y90.6Very high89.4Confident89 Ų8940.8 Ų40.835%0.34921%0.212SC..EExtended strand (participates in β ladder)trans-93.4108.3-178.7179.1-128.4000109.5I168 R169 E173 W195 T198 L199I168-Y175 WeakPolarHBondContact CA-O 3.41Å; R169-Y175 PolarHBondContact N-O 3.26Å; R169-Y175 PolarHBondContact O-N 3.12Å; E173-Y175 PolarHBondContact O-N 2.94Å; Y175-W195 AromaticContact CD1-CE2 3.89Å; Y175-W195 AromaticContact CD1-CZ2 3.68Å; Y175-W195 HydrophobicContact CD1-CZ2 3.68Å; Y175-W195 AromaticContact CD1-NE1 3.75Å; Y175-W195 AromaticContact CE1-CD1 3.9Å; Y175-W195 AromaticContact CE1-CE2 3.6Å; Y175-W195 AromaticContact CE1-CZ2 3.91Å; Y175-W195 HydrophobicContact CE1-CZ2 3.91Å; Y175-W195 AromaticContact CE1-NE1 3.14Å; Y175-W195 AromaticContact CE2-NE1 3.95Å; Y175-W195 HydrophobicContact CG-CZ2 4.37Å; Y175-W195 AromaticContact CZ-CD1 3.81Å; Y175-W195 AromaticContact CZ-NE1 3.26Å; Y175-W195 VanDerWaalsContact CZ-NE1 3.26Å; Y175-W195 PolarHBondContact OH-NE1 3.17Å; Y175-T198 PolarHBondContact OH-OG1 2.93Å; Y175-L199 HydrophobicContact CD1-CD2 4Å; Y175-L199 HydrophobicContact CE1-CD2 4.07Å
176F91.3Very high89.1Confident41 Ų4145.3 Ų45.318%0.1824%0.24CC..EExtended strand (participates in β ladder)trans-85.9143.8-178.9-62.5-99.1000110.7I168 P174 W195 R216 F220I168-F176 HydrophobicContact CD1-CD1 3.84Å; I168-F176 HydrophobicContact CD1-CE1 3.58Å; I168-F176 HydrophobicContact CG1-CD1 3.7Å; I168-F176 HydrophobicContact CG1-CE1 3.96Å; I168-F176 HydrophobicContact CG2-CD1 4.13Å; I168-F176 HydrophobicContact CG2-CE1 4.12Å; I168-F176 HydrophobicContact CG2-CG 4.41Å; I168-F176 HydrophobicContact CG2-CZ 4.38Å; P174-F176 HydrophobicContact CB-CE2 3.78Å; P174-F176 HydrophobicContact CB-CZ 4.11Å; P174-F176 WeakPolarHBondContact O-CD2 3.49Å; P174-F176 VanDerWaalsContact O-CE2 3.25Å; P174-F176 WeakPolarHBondContact O-CE2 3.46Å; F176-W195 PolarHBondContact O-NE1 3.33Å; F176-R216 HydrophobicContact CZ-CB 4.01Å; F176-R216 HydrophobicContact CZ-CG 4.49Å; F176-F220 HydrophobicContact CD1-CE1 4.48Å; F176-F220 HydrophobicContact CD1-CZ 4.19Å; F176-F220 HydrophobicContact CE1-CE1 4.2Å; F176-F220 AromaticContact CE1-CZ 3.99Å; F176-F220 HydrophobicContact CE1-CZ 3.99Å
177F91.6Very high88.9Confident36 Ų3648.5 Ų48.516%0.15826%0.262CS..SBendtrans-69-38161.3168.2-108.7000111.1M167 V182 T188 N191 M192 W195M167-F177 HydrophobicContact CB-CB 4.25Å; M167-F177 WeakPolarHBondContact O-CB 3.34Å; M167-F177 PolarHBondContact O-N 2.91Å; F177-V182 HydrophobicContact CE1-CG2 4.38Å; F177-T188 HydrophobicContact CE1-CG2 4.02Å; F177-T188 HydrophobicContact CZ-CG2 4.16Å; F177-N191 HydrophobicContact CE2-CB 4.08Å; F177-N191 HydrophobicContact CZ-CB 4.16Å; F177-M192 HydrophobicContact CD1-CG 3.96Å; F177-M192 HydrophobicContact CD2-CG 3.98Å; F177-M192 HydrophobicContact CE1-CG 3.5Å; F177-M192 HydrophobicContact CE1-SD 4.21Å; F177-M192 HydrophobicContact CE2-CB 4.2Å; F177-M192 HydrophobicContact CE2-CG 3.53Å; F177-M192 HydrophobicContact CG-CG 4.18Å; F177-M192 HydrophobicContact CZ-CB 4.32Å; F177-M192 HydrophobicContact CZ-CG 3.27Å; F177-M192 HydrophobicContact CZ-SD 4.48Å; F177-W195 HydrophobicContact CB-CD2 4.02Å; F177-W195 HydrophobicContact CB-CE3 4.29Å; F177-W195 HydrophobicContact CB-CG 4.47Å; F177-W195 HydrophobicContact CB-CH2 4.46Å; F177-W195 HydrophobicContact CB-CZ2 4.19Å; F177-W195 HydrophobicContact CB-CZ3 4.5Å; F177-W195 HydrophobicContact CD2-CB 3.82Å; F177-W195 HydrophobicContact CD2-CD2 4.07Å; F177-W195 AromaticContact CD2-CG 3.76Å; F177-W195 HydrophobicContact CD2-CG 3.76Å; F177-W195 HydrophobicContact CE2-CB 4.26Å
178S90.3Very high88.7Confident43 Ų4349 Ų4930%0.30127%0.265SS..  trans-150.8151.8173.9-165.60000111.3N166 E180 V182N166-S178 PolarHBondContact ND2-O 2.88Å; N166-S178 PolarHBondContact OD1-N 2.73Å; N166-S178 PolarHBondContact OD1-O 2.99Å; S178-E180 PolarHBondContact O-N 3.4Å; S178-V182 VanDerWaalsContact CB-CG2 3.45Å; S178-V182 WeakPolarHBondContact OG-CG2 3.3Å
179D85.5Confident88.6Confident148 Ų14849.3 Ų49.379%0.79127%0.267SS*.SBendtrans-65.7-15.9179.9-59.6-33.1000113.6F220D179-F220 WeakPolarHBondContact O-CE1 3.19Å
180E88.1Confident88.5Confident56 Ų5653.1 Ų53.126%0.26228%0.283SS..SBendtrans-146.3169.8-179.6-151.1-170.2-172.900110.8S178 V182 K221 K222S178-E180 PolarHBondContact O-N 3.4Å; E180-V182 PolarHBondContact O-N 3.37Å; E180-K221 WeakPolarHBondContact OE1-CB 3.2Å; E180-K222 VanDerWaalsContact CD-CE 3.44Å; E180-K222 HydrophobicContact CG-CD 4.4Å; E180-K222 WeakPolarHBondContact OE1-CE 3.38Å; E180-K222 IonicContact OE1-NZ 2.66Å; E180-K222 WeakPolarHBondContact OE2-CE 3.5Å; E180-K222 IonicContact OE2-NZ 3.33Å; E180-K222 PolarHBondContact OE2-NZ 3.49Å
181L89.8Confident88.7Confident0 Ų057 Ų570%030%0.304CS..PPolyproline II helixtrans-62.6128172.2-87.581.8000112V131 M164 N166 F220 K222 F224V131-L181 HydrophobicContact CG2-CD1 3.91Å; V131-L181 HydrophobicContact CG2-CG 4.39Å; M164-L181 HydrophobicContact CB-CD2 4.05Å; M164-L181 HydrophobicContact CE-CB 3.98Å; M164-L181 VanDerWaalsContact CE-O 3.32Å; M164-L181 WeakPolarHBondContact CE-O 3.27Å; N166-L181 HydrophobicContact CB-CG 4.42Å; L181-F220 HydrophobicContact CD1-CB 4.18Å; L181-F220 HydrophobicContact CD1-CD2 3.42Å; L181-F220 VanDerWaalsContact CD1-CD2 3.42Å; L181-F220 HydrophobicContact CD1-CE2 3.94Å; L181-F220 HydrophobicContact CD1-CG 3.97Å; L181-K222 HydrophobicContact CB-CB 4.31Å; L181-K222 HydrophobicContact CB-CD 4.21Å; L181-K222 WeakPolarHBondContact O-CD 3.28Å; L181-K222 PolarHBondContact O-NZ 3.32Å; L181-F224 HydrophobicContact CD1-CD1 4.06Å; L181-F224 HydrophobicContact CD2-CB 3.8Å; L181-F224 HydrophobicContact CD2-CD1 4.49Å
182V91.7Very high89Confident35 Ų3555 Ų5521%0.21230%0.295CS..EExtended strand (participates in β ladder)trans-103.3146.1179.3-168.90000109.5M164 I165 F177 S178 E180 T188M164-V182 CarbonylContact C-O 3.59Å; M164-V182 VanDerWaalsContact CA-O 3.26Å; M164-V182 WeakPolarHBondContact CA-O 3.17Å; I165-V182 PolarHBondContact N-O 2.9Å; I165-V182 PolarHBondContact O-N 3.46Å; F177-V182 HydrophobicContact CE1-CG2 4.38Å; S178-V182 VanDerWaalsContact CB-CG2 3.45Å; S178-V182 WeakPolarHBondContact OG-CG2 3.3Å; E180-V182 PolarHBondContact O-N 3.37Å; V182-T188 HydrophobicContact CB-CG2 4.4Å; V182-T188 HydrophobicContact CG1-CG2 3.92Å
183S90.2Very high89.4Confident60 Ų6052.7 Ų52.742%0.4228%0.282SS..EExtended strand (participates in β ladder)trans-75.2136.117148.80000110.7K163 D185 T188K163-S183 WeakPolarHBondContact O-CA 3.46Å; S183-D185 PolarHBondContact O-N 3.09Å; S183-T188 PolarHBondContact O-OG1 2.84Å
184V88.4Confident89.7Confident29 Ų2950.8 Ų50.818%0.17627%0.273CS..PPolyproline II helixtrans-72.5117.6179-175.60000110.1M162 K163 I165 L189M162-V184 HydrophobicContact CB-CG2 4.16Å; M162-V184 VanDerWaalsContact O-CB 3.3Å; M162-V184 WeakPolarHBondContact O-CB 3.1Å; M162-V184 WeakPolarHBondContact O-CG2 3.37Å; K163-V184 PolarHBondContact O-N 3.15Å; K163-V184 VanDerWaalsContact O-N 3.08Å; I165-V184 HydrophobicContact CB-CG2 4.22Å; I165-V184 HydrophobicContact CG2-CG2 3.76Å; V184-L189 HydrophobicContact CG1-CD1 4.21Å; V184-L189 HydrophobicContact CG1-CD2 3.81Å; V184-L189 HydrophobicContact CG1-CG 3.9Å
185D88.9Confident90.1Very high69 Ų6951.2 Ų51.237%0.36927%0.274SS..  trans-137.8172.5168.564.427000110.5S183 S187 T188 L189S183-D185 PolarHBondContact O-N 3.09Å; D185-S187 VanDerWaalsContact CG-OG 3.23Å; D185-S187 PolarHBondContact O-N 2.82Å; D185-S187 WeakPolarHBondContact OD1-CB 3.45Å; D185-S187 PolarHBondContact OD1-N 3.02Å; D185-S187 PolarHBondContact OD1-OG 3.46Å; D185-S187 PolarHBondContact OD2-OG 3.05Å; D185-T188 WeakPolarHBondContact O-CB 3.46Å; D185-T188 PolarHBondContact O-N 2.98Å; D185-T188 VanDerWaalsContact O-N 3.09Å; D185-T188 VanDerWaalsContact OD1-CB 3.29Å; D185-T188 WeakPolarHBondContact OD1-CB 3.36Å; D185-T188 PolarHBondContact OD1-N 3.07Å; D185-T188 PolarHBondContact OD1-OG1 3.41Å; D185-L189 WeakPolarHBondContact O-CG 3.33Å; D185-L189 PolarHBondContact O-N 3.25Å
186T88.1Confident90.1Very high96 Ų9647 Ų4759%0.58926%0.257SS*.Hα-helixtrans-60.4-33.8-176.1-450000112.8L5 K190L5-T186 HydrophobicContact CD2-CG2 4.36Å; T186-K190 PolarHBondContact O-N 3.19Å; T186-K190 VanDerWaalsContact O-N 3.13Å
187S88.5Confident90Very high66 Ų6649.7 Ų49.746%0.46227%0.274SS..Hα-helixtrans-66.3-45.3173.121.50000112D185 K190 N191D185-S187 VanDerWaalsContact CG-OG 3.23Å; D185-S187 PolarHBondContact O-N 2.82Å; D185-S187 WeakPolarHBondContact OD1-CB 3.45Å; D185-S187 PolarHBondContact OD1-N 3.02Å; D185-S187 PolarHBondContact OD1-OG 3.46Å; D185-S187 PolarHBondContact OD2-OG 3.05Å; S187-K190 PolarHBondContact O-N 3.17Å; S187-N191 WeakPolarHBondContact O-CB 2.93Å; S187-N191 PolarHBondContact O-N 3.34Å; S187-N191 PolarHBondContact O-OD1 2.9Å
188T89.7Confident89.9Confident10 Ų1051.8 Ų51.86%0.06129%0.289CS..Hα-helixtrans-62.7-46.5178.5-58.50000110.1F177 V182 S183 D185 K190 N191 M192F177-T188 HydrophobicContact CE1-CG2 4.02Å; F177-T188 HydrophobicContact CZ-CG2 4.16Å; V182-T188 HydrophobicContact CB-CG2 4.4Å; V182-T188 HydrophobicContact CG1-CG2 3.92Å; S183-T188 PolarHBondContact O-OG1 2.84Å; D185-T188 WeakPolarHBondContact O-CB 3.46Å; D185-T188 PolarHBondContact O-N 2.98Å; D185-T188 VanDerWaalsContact O-N 3.09Å; D185-T188 VanDerWaalsContact OD1-CB 3.29Å; D185-T188 WeakPolarHBondContact OD1-CB 3.36Å; D185-T188 PolarHBondContact OD1-N 3.07Å; D185-T188 PolarHBondContact OD1-OG1 3.41Å; T188-K190 VanDerWaalsContact C-N 3.34Å; T188-K190 PolarHBondContact O-N 3.03Å; T188-N191 PolarHBondContact O-N 3.09Å; T188-M192 HydrophobicContact CG2-CG 4.36Å; T188-M192 HydrophobicContact CG2-SD 4.13Å; T188-M192 WeakPolarHBondContact O-CB 3.38Å; T188-M192 VanDerWaalsContact O-CG 3.23Å; T188-M192 WeakPolarHBondContact O-CG 3.28Å; T188-M192 PolarHBondContact O-N 2.73Å
189L90.2Very high89.8Confident8 Ų850.2 Ų50.24%0.04228%0.277CS..Hα-helixtrans-58.7-42.7175.2-67.4172.6000112.2I155 I159 A160 V184 D185 M192 L193I155-L189 HydrophobicContact CG2-CD2 3.72Å; I159-L189 HydrophobicContact CG2-CD2 4.02Å; A160-L189 HydrophobicContact CB-CD1 3.87Å; A160-L189 HydrophobicContact CB-CD2 4.37Å; V184-L189 HydrophobicContact CG1-CD1 4.21Å; V184-L189 HydrophobicContact CG1-CD2 3.81Å; V184-L189 HydrophobicContact CG1-CG 3.9Å; D185-L189 WeakPolarHBondContact O-CG 3.33Å; D185-L189 PolarHBondContact O-N 3.25Å; L189-M192 PolarHBondContact O-N 3.49Å; L189-L193 WeakPolarHBondContact O-CG 3.4Å; L189-L193 PolarHBondContact O-N 2.99Å
190K89.9Confident89.7Confident83 Ų8349.6 Ų49.636%0.36127%0.27SS..Hα-helixtrans-63.4-47175.5-175.3176.2-177.8-750111.8T186 S187 T188 M192 L193 E194T186-K190 PolarHBondContact O-N 3.19Å; T186-K190 VanDerWaalsContact O-N 3.13Å; S187-K190 PolarHBondContact O-N 3.17Å; T188-K190 VanDerWaalsContact C-N 3.34Å; T188-K190 PolarHBondContact O-N 3.03Å; K190-M192 VanDerWaalsContact C-N 3.31Å; K190-M192 PolarHBondContact O-N 3.37Å; K190-L193 PolarHBondContact O-N 3.5Å; K190-E194 IonicContact NZ-OE1 2.65Å; K190-E194 PolarHBondContact NZ-OE1 2.86Å; K190-E194 PolarHBondContact O-N 3.43Å
191N91.9Very high89.4Confident81 Ų8151.2 Ų51.243%0.43327%0.274SS..Hα-helixtrans-63.7-36.4178.3-65.5-3.8000111.6F177 S187 T188 E194 W195F177-N191 HydrophobicContact CE2-CB 4.08Å; F177-N191 HydrophobicContact CZ-CB 4.16Å; S187-N191 WeakPolarHBondContact O-CB 2.93Å; S187-N191 PolarHBondContact O-N 3.34Å; S187-N191 PolarHBondContact O-OD1 2.9Å; T188-N191 PolarHBondContact O-N 3.09Å; N191-E194 PolarHBondContact O-N 2.89Å; N191-W195 VanDerWaalsContact O-CB 3.31Å; N191-W195 WeakPolarHBondContact O-CB 3.42Å; N191-W195 PolarHBondContact O-N 3.2Å
192M92.2Very high88.8Confident0 Ų055.9 Ų55.90%030%0.298CS..Hα-helixtrans-66.8-42.4174.3-71.7-179.567.800111.9I155 I159 I165 M167 F177 T188 L189 K190 E194 W195 I196I155-M192 HydrophobicContact CD1-CB 3.89Å; I155-M192 HydrophobicContact CD1-CE 4.18Å; I155-M192 HydrophobicContact CG1-CE 4.21Å; I159-M192 HydrophobicContact CG2-CE 4.35Å; I159-M192 HydrophobicContact CG2-SD 4.47Å; I165-M192 HydrophobicContact CD1-CE 3.9Å; I165-M192 HydrophobicContact CG1-CE 4.48Å; I165-M192 HydrophobicContact CG2-CE 4.43Å; I165-M192 HydrophobicContact CG2-SD 3.88Å; M167-M192 HydrophobicContact CG-CE 3.57Å; M167-M192 HydrophobicContact SD-CE 3.3Å; M167-M192 WeakPolarHBondContact SD-CE 3.48Å; F177-M192 HydrophobicContact CD1-CG 3.96Å; F177-M192 HydrophobicContact CD2-CG 3.98Å; F177-M192 HydrophobicContact CE1-CG 3.5Å; F177-M192 HydrophobicContact CE1-SD 4.21Å; F177-M192 HydrophobicContact CE2-CB 4.2Å; F177-M192 HydrophobicContact CE2-CG 3.53Å; F177-M192 HydrophobicContact CG-CG 4.18Å; F177-M192 HydrophobicContact CZ-CB 4.32Å; F177-M192 HydrophobicContact CZ-CG 3.27Å; F177-M192 HydrophobicContact CZ-SD 4.48Å; T188-M192 HydrophobicContact CG2-CG 4.36Å; T188-M192 HydrophobicContact CG2-SD 4.13Å; T188-M192 WeakPolarHBondContact O-CB 3.38Å; T188-M192 VanDerWaalsContact O-CG 3.23Å; T188-M192 WeakPolarHBondContact O-CG 3.28Å; T188-M192 PolarHBondContact O-N 2.73Å; L189-M192 PolarHBondContact O-N 3.49Å; K190-M192 VanDerWaalsContact C-N 3.31Å; K190-M192 PolarHBondContact O-N 3.37Å; M192-E194 VanDerWaalsContact C-N 3.33Å; M192-E194 PolarHBondContact O-N 3.27Å; M192-W195 PolarHBondContact O-N 2.78Å; M192-I196 WeakPolarHBondContact O-CB 3.22Å; M192-I196 WeakPolarHBondContact O-CG1 3.44Å; M192-I196 PolarHBondContact O-N 2.91Å
193L90.7Very high88Confident22 Ų2255.3 Ų55.312%0.11530%0.295CS..Hα-helixtrans-63.2-39.1174.4-70.8169.2000111.5K152 I155 L189 K190 N197K152-L193 HydrophobicContact CB-CD2 3.89Å; K152-L193 HydrophobicContact CG-CD2 3.84Å; I155-L193 HydrophobicContact CB-CD2 4.12Å; I155-L193 HydrophobicContact CD1-CD2 4.11Å; I155-L193 HydrophobicContact CG2-CD2 4.04Å; I155-L193 HydrophobicContact CG2-CG 4.06Å; L189-L193 WeakPolarHBondContact O-CG 3.4Å; L189-L193 PolarHBondContact O-N 2.99Å; K190-L193 PolarHBondContact O-N 3.5Å; L193-N197 PolarHBondContact O-N 2.89Å; L193-N197 PolarHBondContact O-ND2 2.94Å
194E90.8Very high87Confident84 Ų8461.2 Ų61.239%0.39331%0.314SS..Hα-helixtrans-64.8-48.7172.9-73.7174.4-164.700111.3K190 N191 M192 I196 N197 T198K190-E194 IonicContact NZ-OE1 2.65Å; K190-E194 PolarHBondContact NZ-OE1 2.86Å; K190-E194 PolarHBondContact O-N 3.43Å; N191-E194 PolarHBondContact O-N 2.89Å; M192-E194 VanDerWaalsContact C-N 3.33Å; M192-E194 PolarHBondContact O-N 3.27Å; E194-I196 PolarHBondContact O-N 3.29Å; E194-N197 WeakPolarHBondContact O-CB 3.48Å; E194-N197 PolarHBondContact O-N 3.11Å; E194-T198 PolarHBondContact O-N 2.97Å
195W93.6Very high86.2Confident19 Ų1962.4 Ų62.47%0.07232%0.323CS..Hα-helixtrans-57.4-42.7176.7-178.986.2000112.8L134 M167 Y175 F176 F177 N191 M192 N197 T198 L199L134-W195 HydrophobicContact CD1-CH2 4.4Å; L134-W195 HydrophobicContact CD1-CZ3 4.19Å; M167-W195 HydrophobicContact CB-CH2 4.1Å; M167-W195 HydrophobicContact CB-CZ3 3.86Å; Y175-W195 AromaticContact CD1-CE2 3.89Å; Y175-W195 AromaticContact CD1-CZ2 3.68Å; Y175-W195 HydrophobicContact CD1-CZ2 3.68Å; Y175-W195 AromaticContact CD1-NE1 3.75Å; Y175-W195 AromaticContact CE1-CD1 3.9Å; Y175-W195 AromaticContact CE1-CE2 3.6Å; Y175-W195 AromaticContact CE1-CZ2 3.91Å; Y175-W195 HydrophobicContact CE1-CZ2 3.91Å; Y175-W195 AromaticContact CE1-NE1 3.14Å; Y175-W195 AromaticContact CE2-NE1 3.95Å; Y175-W195 HydrophobicContact CG-CZ2 4.37Å; Y175-W195 AromaticContact CZ-CD1 3.81Å; Y175-W195 AromaticContact CZ-NE1 3.26Å; Y175-W195 VanDerWaalsContact CZ-NE1 3.26Å; Y175-W195 PolarHBondContact OH-NE1 3.17Å; F176-W195 PolarHBondContact O-NE1 3.33Å; F177-W195 HydrophobicContact CB-CD2 4.02Å; F177-W195 HydrophobicContact CB-CE3 4.29Å; F177-W195 HydrophobicContact CB-CG 4.47Å; F177-W195 HydrophobicContact CB-CH2 4.46Å; F177-W195 HydrophobicContact CB-CZ2 4.19Å; F177-W195 HydrophobicContact CB-CZ3 4.5Å; F177-W195 HydrophobicContact CD2-CB 3.82Å; F177-W195 HydrophobicContact CD2-CD2 4.07Å; F177-W195 AromaticContact CD2-CG 3.76Å; F177-W195 HydrophobicContact CD2-CG 3.76Å; F177-W195 HydrophobicContact CE2-CB 4.26Å; N191-W195 VanDerWaalsContact O-CB 3.31Å; N191-W195 WeakPolarHBondContact O-CB 3.42Å; N191-W195 PolarHBondContact O-N 3.2Å; M192-W195 PolarHBondContact O-N 2.78Å; W195-N197 VanDerWaalsContact C-N 3.28Å; W195-N197 PolarHBondContact O-N 2.76Å; W195-T198 WeakPolarHBondContact O-CA 3.28Å; W195-T198 WeakPolarHBondContact O-CB 3.41Å; W195-T198 PolarHBondContact O-N 3.43Å; W195-T198 PolarHBondContact O-OG1 2.87Å; W195-L199 HydrophobicContact CE3-CD2 4.43Å; W195-L199 HydrophobicContact CH2-CD2 3.92Å; W195-L199 HydrophobicContact CZ2-CD2 4.01Å; W195-L199 HydrophobicContact CZ3-CD1 4.19Å; W195-L199 HydrophobicContact CZ3-CD2 4.14Å; W195-L199 PolarHBondContact O-N 3.47Å
196I91.4Very high85.3Confident1 Ų161.4 Ų61.41%0.00532%0.322CS..Hα-helixtrans-61.2-34.9175.3-76-156.3000112.3V148 L151 K152 I155 M167 M192 E194 T198 L199V148-I196 HydrophobicContact CG1-CG2 3.87Å; L151-I196 HydrophobicContact CB-CD1 3.59Å; L151-I196 HydrophobicContact CD1-CD1 4.04Å; L151-I196 HydrophobicContact CG-CD1 4.4Å; K152-I196 HydrophobicContact CG-CG2 4.36Å; I155-I196 HydrophobicContact CD1-CD1 3.45Å; I155-I196 VanDerWaalsContact CD1-CD1 3.45Å; I155-I196 HydrophobicContact CD1-CG1 4.04Å; I155-I196 HydrophobicContact CG1-CD1 4.41Å; M167-I196 HydrophobicContact SD-CD1 4.34Å; M192-I196 WeakPolarHBondContact O-CB 3.22Å; M192-I196 WeakPolarHBondContact O-CG1 3.44Å; M192-I196 PolarHBondContact O-N 2.91Å; E194-I196 PolarHBondContact O-N 3.29Å; I196-T198 PolarHBondContact O-N 2.82Å; I196-L199 HydrophobicContact CB-CD1 4.43Å; I196-L199 HydrophobicContact CG1-CD1 4.22Å; I196-L199 WeakPolarHBondContact O-CB 3.49Å; I196-L199 PolarHBondContact O-N 3.43Å
197N88.4Confident84.4Confident98 Ų9860.1 Ų60.152%0.52432%0.317SS..Hα-helixtrans-72.6-14.9173.5-67.7-60.1000113.3K152 L193 E194 W195K152-N197 WeakPolarHBondContact CE-OD1 3.45Å; K152-N197 PolarHBondContact NZ-OD1 3.29Å; L193-N197 PolarHBondContact O-N 2.89Å; L193-N197 PolarHBondContact O-ND2 2.94Å; E194-N197 WeakPolarHBondContact O-CB 3.48Å; E194-N197 PolarHBondContact O-N 3.11Å; W195-N197 VanDerWaalsContact C-N 3.28Å; W195-N197 PolarHBondContact O-N 2.76Å
198T90.2Very high83.9Confident79 Ų7958.5 Ų58.549%0.48531%0.306SS..THydrogen-bonded Turntrans-87.9-6.4173.370.10000113.9Y175 E194 W195 I196 E200Y175-T198 PolarHBondContact OH-OG1 2.93Å; E194-T198 PolarHBondContact O-N 2.97Å; W195-T198 WeakPolarHBondContact O-CA 3.28Å; W195-T198 WeakPolarHBondContact O-CB 3.41Å; W195-T198 PolarHBondContact O-N 3.43Å; W195-T198 PolarHBondContact O-OG1 2.87Å; I196-T198 PolarHBondContact O-N 2.82Å; T198-E200 PolarHBondContact O-N 2.77Å
199L88.1Confident83.6Confident10 Ų1058.2 Ų58.25%0.05230%0.304CS..  trans-66.2119.8178.7-64.5175.1000109.9L134 I136 F144 R169 Y175 W195 I196L134-L199 HydrophobicContact CD1-CD1 4.17Å; I136-L199 HydrophobicContact CD1-CD1 4.48Å; F144-L199 HydrophobicContact CZ-CB 4.32Å; F144-L199 VanDerWaalsContact CZ-O 3.27Å; F144-L199 WeakPolarHBondContact CZ-O 3.48Å; R169-L199 HydrophobicContact CB-CD2 4.41Å; Y175-L199 HydrophobicContact CD1-CD2 4Å; Y175-L199 HydrophobicContact CE1-CD2 4.07Å; W195-L199 HydrophobicContact CE3-CD2 4.43Å; W195-L199 HydrophobicContact CH2-CD2 3.92Å; W195-L199 HydrophobicContact CZ2-CD2 4.01Å; W195-L199 HydrophobicContact CZ3-CD1 4.19Å; W195-L199 HydrophobicContact CZ3-CD2 4.14Å; W195-L199 PolarHBondContact O-N 3.47Å; I196-L199 HydrophobicContact CB-CD1 4.43Å; I196-L199 HydrophobicContact CG1-CD1 4.22Å; I196-L199 WeakPolarHBondContact O-CB 3.49Å; I196-L199 PolarHBondContact O-N 3.43Å
200E83Confident83.2Confident136 Ų13658.4 Ų58.464%0.63631%0.305SS*.  trans-71.4155.3173.4-59.3-172.7155.800110.9F144 R169 T198F144-E200 WeakPolarHBondContact CZ-O 3.48Å; R169-E200 PolarHBondContact NH1-O 3.44Å; R169-E200 PolarHBondContact NH2-O 3.4Å; T198-E200 PolarHBondContact O-N 2.77Å
201R82.1Confident82.9Confident90 Ų9055 Ų5534%0.3429%0.291SS..SBendtrans-74.2-41.7173.3177.1-178.152.3156.9-6.5112.3T138 Q139 F144T138-R201 WeakPolarHBondContact O-CG 3.28Å; Q139-R201 PolarHBondContact O-NH1 3.37Å; F144-R201 HydrophobicContact CB-CG 4.13Å; F144-R201 HydrophobicContact CD1-CB 3.95Å; F144-R201 HydrophobicContact CD1-CG 4.38Å; F144-R201 HydrophobicContact CD2-CB 4.19Å; F144-R201 HydrophobicContact CD2-CG 4.18Å; F144-R201 HydrophobicContact CE1-CB 4.15Å; F144-R201 HydrophobicContact CE2-CB 4.39Å; F144-R201 HydrophobicContact CG-CB 3.97Å; F144-R201 HydrophobicContact CG-CG 3.95Å; F144-R201 HydrophobicContact CZ-CB 4.38Å
202L76.7Confident82.6Confident98 Ų9853.9 Ų53.951%0.51329%0.285SS..  trans-113.795.2-169.2-60.3175.3000110.1
203S75.1Confident82.4Confident22 Ų2253.9 Ų53.915%0.15429%0.285CS..  trans-107.3147.9173.151.80000110.9R169 S205R169-S203 PolarHBondContact NE-OG 2.96Å; R169-S203 VanDerWaalsContact NH2-CB 3.35Å; R169-S203 PolarHBondContact NH2-OG 3.06Å; S203-S205 PolarHBondContact O-N 3.04Å
204F69.5Low82.2Confident185 Ų18553.2 Ų53.281%0.81128%0.282SS*.  trans-63.6125.9171.9-67.9-81.3000110.5Q171 D172Q171-F204 WeakPolarHBondContact CB-O 3.13Å; D172-F204 PolarHBondContact N-O 3.09Å; D172-F204 WeakPolarHBondContact OD2-CB 3.38Å
205S71.3Confident81.9Confident53 Ų5353.7 Ų53.737%0.37129%0.287SS..  trans-141.9109.1-178.962.80000111.7S203 C209S203-S205 PolarHBondContact O-N 3.04Å; S205-C209 WeakPolarHBondContact CA-SG 3.38Å
206S71Confident81.4Confident49 Ų4957.3 Ų57.334%0.34330%0.3SS..  trans-73.2171167.162.70000112.6D172 S208 C209D172-S206 WeakPolarHBondContact OD1-CA 3.33Å; D172-S206 WeakPolarHBondContact OD1-CB 3.45Å; D172-S206 PolarHBondContact OD1-N 2.68Å; D172-S206 PolarHBondContact OD1-OG 3.19Å; S206-S208 PolarHBondContact O-N 2.71Å; S206-S208 VanDerWaalsContact O-N 3.14Å; S206-C209 PolarHBondContact N-SG 3.22Å; S206-C209 PolarHBondContact O-N 2.99Å; S206-C209 PolarHBondContact O-SG 3.1Å
207S68.9Low81.1Confident68 Ų6857.4 Ų57.448%0.47630%0.301SS..THydrogen-bonded Turntrans-66.8-818051.90000114.9S239S207-S239 PolarHBondContact O-OG 3.44Å
208S76.8Confident80.7Confident33 Ų3355.9 Ų55.923%0.23131%0.309CS..THydrogen-bonded Turntrans-109.2-4.3-179.464.80000115.5S206 T210 T211 D212S206-S208 PolarHBondContact O-N 2.71Å; S206-S208 VanDerWaalsContact O-N 3.14Å; S208-T210 VanDerWaalsContact C-N 3.33Å; S208-T210 PolarHBondContact O-N 3.19Å; S208-T210 VanDerWaalsContact O-N 3.07Å; S208-T211 CarbonylContact O-C 3.54Å; S208-T211 WeakPolarHBondContact O-CA 3.37Å; S208-T211 WeakPolarHBondContact O-CB 3.22Å; S208-T211 PolarHBondContact O-N 3.17Å; S208-D212 WeakPolarHBondContact CB-OD2 3.32Å; S208-D212 PolarHBondContact O-N 3.21Å; S208-D212 VanDerWaalsContact O-OD2 3.1Å; S208-D212 PolarHBondContact OG-OD2 3.43Å
209C83.6Confident80.3Confident4 Ų459.2 Ų59.23%0.02732%0.319CS..Hα-helixtrans-46.3-49-171.4-63.30000114.9C170 D172 S205 S206 D212 C213C170-C209 HydrophobicContact CB-CB 4.34Å; D172-C209 PolarHBondContact OD1-SG 2.4Å; S205-C209 WeakPolarHBondContact CA-SG 3.38Å; S206-C209 PolarHBondContact N-SG 3.22Å; S206-C209 PolarHBondContact O-N 2.99Å; S206-C209 PolarHBondContact O-SG 3.1Å; C209-D212 PolarHBondContact O-N 3.36Å; C209-C213 PolarHBondContact O-N 3.04Å; C209-C213 PolarHBondContact O-SG 3.42Å
210T82.9Confident80.2Confident11 Ų1160.1 Ų60.17%0.06732%0.322CS..Hα-helixtrans-67-38.7-179.5-50.80000111.9D135 S208 C213 I214 L229 L243D135-T210 PolarHBondContact OD2-OG1 3.39Å; S208-T210 VanDerWaalsContact C-N 3.33Å; S208-T210 PolarHBondContact O-N 3.19Å; S208-T210 VanDerWaalsContact O-N 3.07Å; T210-C213 PolarHBondContact O-N 3.32Å; T210-I214 HydrophobicContact CG2-CD1 4.35Å; T210-I214 VanDerWaalsContact O-CG1 3.32Å; T210-I214 WeakPolarHBondContact O-CG1 2.87Å; T210-I214 PolarHBondContact O-N 3.16Å; T210-I214 VanDerWaalsContact O-N 3.09Å; T210-L229 HydrophobicContact CG2-CD1 3.64Å; T210-L229 HydrophobicContact CG2-CD2 3.92Å; T210-L229 HydrophobicContact CG2-CG 4.45Å; T210-L243 HydrophobicContact CG2-CD1 4.21Å
211T83.6Confident80Confident11 Ų1162.9 Ų62.97%0.06733%0.332CS..Hα-helixtrans-61.2-44.8174.8-55.30000110.6S208 I214 L215 L242 I246S208-T211 CarbonylContact O-C 3.54Å; S208-T211 WeakPolarHBondContact O-CA 3.37Å; S208-T211 WeakPolarHBondContact O-CB 3.22Å; S208-T211 PolarHBondContact O-N 3.17Å; T211-I214 PolarHBondContact O-N 3.05Å; T211-L215 WeakPolarHBondContact O-CG 3.3Å; T211-L215 PolarHBondContact O-N 2.95Å; T211-L215 VanDerWaalsContact O-N 3.13Å; T211-L242 HydrophobicContact CG2-CB 4.46Å; T211-I246 HydrophobicContact CG2-CD1 3.29Å; T211-I246 HydrophobicContact CG2-CG1 3.9Å
212D85Confident79.9Confident58 Ų5862.6 Ų62.631%0.3133%0.333SS..Hα-helixtrans-69.4-36.2178-64.4-49000112.6S208 C209 L215 R216S208-D212 WeakPolarHBondContact CB-OD2 3.32Å; S208-D212 PolarHBondContact O-N 3.21Å; S208-D212 VanDerWaalsContact O-OD2 3.1Å; S208-D212 PolarHBondContact OG-OD2 3.43Å; C209-D212 PolarHBondContact O-N 3.36Å; D212-L215 PolarHBondContact O-N 3.19Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.47Å; D212-R216 PolarHBondContact O-N 3.5Å
213C87.3Confident80.2Confident0 Ų063 Ų630%034%0.344CS..Hα-helixtrans-61.4-46.5172.5-67.80000112.1L133 P174 C209 T210 L215 R216 M217L133-C213 HydrophobicContact CD1-CB 4.45Å; L133-C213 HydrophobicContact CD2-CB 3.72Å; P174-C213 VanDerWaalsContact CG-SG 3.57Å; C209-C213 PolarHBondContact O-N 3.04Å; C209-C213 PolarHBondContact O-SG 3.42Å; T210-C213 PolarHBondContact O-N 3.32Å; C213-L215 VanDerWaalsContact C-N 3.3Å; C213-L215 PolarHBondContact O-N 3.04Å; C213-R216 PolarHBondContact O-N 3.19Å; C213-M217 VanDerWaalsContact O-CG 3.3Å; C213-M217 WeakPolarHBondContact O-CG 3.26Å; C213-M217 PolarHBondContact O-N 3.27Å
214I86.2Confident80.9Confident8 Ų862.8 Ų62.84%0.04134%0.34CS..Hα-helixtrans-62.5-38.5178.2-65.2164.3000110.8L133 T210 T211 G218 L243 I246 V247 L250L133-I214 HydrophobicContact CD1-CD1 4.32Å; L133-I214 HydrophobicContact CD1-CG1 3.57Å; T210-I214 HydrophobicContact CG2-CD1 4.35Å; T210-I214 VanDerWaalsContact O-CG1 3.32Å; T210-I214 WeakPolarHBondContact O-CG1 2.87Å; T210-I214 PolarHBondContact O-N 3.16Å; T210-I214 VanDerWaalsContact O-N 3.09Å; T211-I214 PolarHBondContact O-N 3.05Å; I214-G218 PolarHBondContact O-N 3.13Å; I214-L243 HydrophobicContact CD1-CD1 3.65Å; I214-I246 HydrophobicContact CB-CG2 4.25Å; I214-I246 HydrophobicContact CG2-CG2 3.62Å; I214-V247 HydrophobicContact CD1-CG2 4.38Å; I214-L250 HydrophobicContact CG2-CD1 4.1Å
215L85.2Confident81.9Confident95 Ų9557.9 Ų57.950%0.49732%0.32SS..Hα-helixtrans-64.5-45.5174.1-75.8172.4000112.8T211 D212 C213 G218 I246T211-L215 WeakPolarHBondContact O-CG 3.3Å; T211-L215 PolarHBondContact O-N 2.95Å; T211-L215 VanDerWaalsContact O-N 3.13Å; D212-L215 PolarHBondContact O-N 3.19Å; C213-L215 VanDerWaalsContact C-N 3.3Å; C213-L215 PolarHBondContact O-N 3.04Å; L215-G218 PolarHBondContact O-N 3.45Å; L215-I246 HydrophobicContact CD1-CD1 3.62Å; L215-I246 HydrophobicContact CD2-CD1 3.78Å; L215-I246 HydrophobicContact CG-CD1 3.54Å
216R83.7Confident82.9Confident94 Ų9455.4 Ų55.436%0.35530%0.303SS..Hα-helixtrans-62.6-40.6177-68.1-91.8-171.51056.1111.3E173 F176 D212 C213 G218 Q219E173-R216 IonicContact OE1-NH2 3.66Å; E173-R216 IonicContact OE2-CZ 2.64Å; E173-R216 IonicContact OE2-NH1 3.22Å; E173-R216 IonicContact OE2-NH2 3.88Å; E173-R216 PolarHBondContact OE2-NH2 3.06Å; F176-R216 HydrophobicContact CZ-CB 4.01Å; F176-R216 HydrophobicContact CZ-CG 4.49Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.47Å; D212-R216 PolarHBondContact O-N 3.5Å; C213-R216 PolarHBondContact O-N 3.19Å; R216-G218 PolarHBondContact O-N 3.46Å; R216-Q219 VanDerWaalsContact O-CB 3.29Å; R216-Q219 WeakPolarHBondContact O-CB 3.22Å; R216-Q219 PolarHBondContact O-N 3.35Å
217M85.6Confident84Confident3 Ų353 Ų532%0.01529%0.286CS..Hα-helixtrans-58.6-32.3175.8-74.9174.251.800113.7V131 L133 I168 C213 Q219 F220 F224 V227V131-M217 HydrophobicContact CB-CE 3.51Å; V131-M217 HydrophobicContact CB-SD 4.29Å; V131-M217 HydrophobicContact CG1-CE 3.56Å; V131-M217 HydrophobicContact CG1-CG 4.09Å; V131-M217 HydrophobicContact CG1-SD 3.65Å; V131-M217 HydrophobicContact CG2-CE 4.06Å; L133-M217 HydrophobicContact CD1-SD 3.93Å; L133-M217 HydrophobicContact CD2-SD 3.47Å; L133-M217 WeakPolarHBondContact CD2-SD 3.44Å; L133-M217 HydrophobicContact CG-SD 3.79Å; I168-M217 HydrophobicContact CD1-CG 3.43Å; I168-M217 VanDerWaalsContact CD1-CG 3.43Å; I168-M217 HydrophobicContact CD1-SD 4.01Å; C213-M217 VanDerWaalsContact O-CG 3.3Å; C213-M217 WeakPolarHBondContact O-CG 3.26Å; C213-M217 PolarHBondContact O-N 3.27Å; M217-Q219 PolarHBondContact O-N 3.39Å; M217-F220 HydrophobicContact CB-CD2 4.4Å; M217-F220 HydrophobicContact CB-CE2 4.24Å; M217-F220 HydrophobicContact CG-CE2 3.95Å; M217-F220 HydrophobicContact CG-CZ 4.46Å; M217-F220 WeakPolarHBondContact O-CD2 3.15Å; M217-F220 WeakPolarHBondContact O-CG 3.26Å; M217-F220 PolarHBondContact O-N 3.22Å; M217-F220 VanDerWaalsContact O-N 3.15Å; M217-F224 HydrophobicContact CE-CE2 4.22Å; M217-F224 HydrophobicContact CE-CZ 3.99Å; M217-V227 HydrophobicContact CE-CB 4.15Å; M217-V227 HydrophobicContact CE-CG1 3.69Å; M217-V227 HydrophobicContact CE-CG2 3.44Å; M217-V227 VanDerWaalsContact CE-CG2 3.44Å; M217-V227 HydrophobicContact SD-CG1 4.31Å
218G78.8Confident85.1Confident67 Ų6750.1 Ų50.169%0.69127%0.265SS*.THydrogen-bonded Turntrans-62.5-9.5175.100000114.5I214 L215 R216I214-G218 PolarHBondContact O-N 3.13Å; L215-G218 PolarHBondContact O-N 3.45Å; R216-G218 PolarHBondContact O-N 3.46Å
219Q82.3Confident85.9Confident149 Ų14948.6 Ų48.670%0.69625%0.254SS*.THydrogen-bonded Turntrans-94.7-5.8178.5-52.4-180-100113.3R216 M217 K221R216-Q219 VanDerWaalsContact O-CB 3.29Å; R216-Q219 WeakPolarHBondContact O-CB 3.22Å; R216-Q219 PolarHBondContact O-N 3.35Å; M217-Q219 PolarHBondContact O-N 3.39Å; Q219-K221 PolarHBondContact O-N 3.46Å
220F85Confident86.2Confident29 Ų2948.4 Ų48.413%0.12725%0.253CS..  trans-64.5131.8177-66.7-28.6000111.6V131 N166 I168 F176 D179 L181 M217 F224V131-F220 HydrophobicContact CG1-CE2 4.26Å; V131-F220 HydrophobicContact CG2-CD2 4.3Å; V131-F220 HydrophobicContact CG2-CE2 4.01Å; N166-F220 VanDerWaalsContact ND2-CZ 3.29Å; N166-F220 WeakPolarHBondContact ND2-CZ 3.19Å; I168-F220 HydrophobicContact CD1-CE2 4.29Å; I168-F220 HydrophobicContact CD1-CZ 4.01Å; F176-F220 HydrophobicContact CD1-CE1 4.48Å; F176-F220 HydrophobicContact CD1-CZ 4.19Å; F176-F220 HydrophobicContact CE1-CE1 4.2Å; F176-F220 AromaticContact CE1-CZ 3.99Å; F176-F220 HydrophobicContact CE1-CZ 3.99Å; D179-F220 WeakPolarHBondContact O-CE1 3.19Å; L181-F220 HydrophobicContact CD1-CB 4.18Å; L181-F220 HydrophobicContact CD1-CD2 3.42Å; L181-F220 VanDerWaalsContact CD1-CD2 3.42Å; L181-F220 HydrophobicContact CD1-CE2 3.94Å; L181-F220 HydrophobicContact CD1-CG 3.97Å; M217-F220 HydrophobicContact CB-CD2 4.4Å; M217-F220 HydrophobicContact CB-CE2 4.24Å; M217-F220 HydrophobicContact CG-CE2 3.95Å; M217-F220 HydrophobicContact CG-CZ 4.46Å; M217-F220 WeakPolarHBondContact O-CD2 3.15Å; M217-F220 WeakPolarHBondContact O-CG 3.26Å; M217-F220 PolarHBondContact O-N 3.22Å; M217-F220 VanDerWaalsContact O-N 3.15Å; F220-F224 HydrophobicContact CD2-CE1 4.14Å
221K78.6Confident86.5Confident193 Ų19347.9 Ų47.984%0.83925%0.25SC*.SBendtrans-75.6-28.9-177.7-54.3168.7-178.2165.30112.6E180 Q219E180-K221 WeakPolarHBondContact OE1-CB 3.2Å; Q219-K221 PolarHBondContact O-N 3.46Å
222K80.6Confident86.4Confident85 Ų8548.1 Ų48.137%0.3725%0.25SC..SBendtrans-87.7130.3176.2-65.9168.9-161.7150.90110M164 E180 L181M164-K222 HydrophobicContact CE-CD 3.95Å; E180-K222 VanDerWaalsContact CD-CE 3.44Å; E180-K222 HydrophobicContact CG-CD 4.4Å; E180-K222 WeakPolarHBondContact OE1-CE 3.38Å; E180-K222 IonicContact OE1-NZ 2.66Å; E180-K222 WeakPolarHBondContact OE2-CE 3.5Å; E180-K222 IonicContact OE2-NZ 3.33Å; E180-K222 PolarHBondContact OE2-NZ 3.49Å; L181-K222 HydrophobicContact CB-CB 4.31Å; L181-K222 HydrophobicContact CB-CD 4.21Å; L181-K222 WeakPolarHBondContact O-CD 3.28Å; L181-K222 PolarHBondContact O-NZ 3.32Å
223S84.2Confident85.7Confident105 Ų10545.7 Ų45.773%0.73424%0.239SC*.  trans-67.6143.3172.955.90000112.1
224F89.4Confident84.6Confident18 Ų1851 Ų518%0.07926%0.264CS..  trans-120.1161.6169.448.2-91.2000110.7V131 L181 M217 F220 S226 V227 H252V131-F224 HydrophobicContact CG2-CD1 4.05Å; V131-F224 HydrophobicContact CG2-CE1 4.37Å; V131-F224 HydrophobicContact CG2-CG 4.13Å; L181-F224 HydrophobicContact CD1-CD1 4.06Å; L181-F224 HydrophobicContact CD2-CB 3.8Å; L181-F224 HydrophobicContact CD2-CD1 4.49Å; M217-F224 HydrophobicContact CE-CE2 4.22Å; M217-F224 HydrophobicContact CE-CZ 3.99Å; F220-F224 HydrophobicContact CD2-CE1 4.14Å; F224-S226 WeakPolarHBondContact CD2-O 3.44Å; F224-V227 HydrophobicContact CD2-CG2 4.31Å; F224-V227 HydrophobicContact CE2-CG2 3.59Å; F224-V227 HydrophobicContact CZ-CG2 4.38Å; F224-H252 HydrophobicContact CD2-CB 4.42Å; F224-H252 AromaticContact CD2-CG 3.97Å; F224-H252 HydrophobicContact CE2-CB 4.02Å; F224-H252 AromaticContact CE2-CD2 3.54Å; F224-H252 AromaticContact CE2-CG 3.63Å; F224-H252 AromaticContact CZ-CD2 3.96Å; F224-H252 PolarHBondContact O-CE1 2.99Å; F224-H252 PolarHBondContact O-ND1 3.49Å
225E90.2Very high83.3Confident83 Ų8352.8 Ų52.839%0.38828%0.277SS..SBendtrans-81.3-45.2177.4-74.4149.4-119.900111.6E127 H128 S129 P253E127-E225 WeakPolarHBondContact CA-OE2 3.45Å; E127-E225 HydrophobicContact CB-CB 4.05Å; E127-E225 HydrophobicContact CG-CB 4.4Å; H128-E225 PolarHBondContact N-OE2 3.3Å; H128-E225 IonicContact ND1-OE2 3.02Å; S129-E225 PolarHBondContact N-OE1 3.25Å; S129-E225 WeakPolarHBondContact O-CA 3.32Å; S129-E225 WeakPolarHBondContact O-CB 3.3Å; S129-E225 PolarHBondContact O-N 3.01Å; S129-E225 WeakPolarHBondContact OG-CG 3.24Å; S129-E225 PolarHBondContact OG-N 3.27Å; S129-E225 VanDerWaalsContact OG-N 3.12Å; S129-E225 PolarHBondContact OG-OE1 2.79Å; E225-P253 WeakPolarHBondContact O-CD 3.42Å
226S92.3Very high82.1Confident0 Ų048.9 Ų48.90%026%0.257CS..EExtended strand (participates in β ladder)trans-145.5168.7-174.869.60000115.3E127 S129 A130 V131 F224 Y228 H255E127-S226 WeakPolarHBondContact CG-OG 3.22Å; S129-S226 PolarHBondContact O-N 2.81Å; A130-S226 VanDerWaalsContact CA-O 3.29Å; A130-S226 WeakPolarHBondContact CA-O 3.26Å; A130-S226 WeakPolarHBondContact CB-O 3.45Å; A130-S226 WeakPolarHBondContact CB-OG 3.26Å; V131-S226 PolarHBondContact N-O 3.06Å; F224-S226 WeakPolarHBondContact CD2-O 3.44Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.3Å; S226-H255 WeakPolarHBondContact CB-NE2 3.49Å
227V92.9Very high80.8Confident0 Ų048 Ų480%026%0.258CS..EExtended strand (participates in β ladder)trans-116.4136.2171.4-176.60000108.9L133 M217 F224 L250 H252 P253 L254 H255L133-V227 HydrophobicContact CD1-CG1 4.12Å; L133-V227 HydrophobicContact CG-CG1 4.32Å; M217-V227 HydrophobicContact CE-CB 4.15Å; M217-V227 HydrophobicContact CE-CG1 3.69Å; M217-V227 HydrophobicContact CE-CG2 3.44Å; M217-V227 VanDerWaalsContact CE-CG2 3.44Å; M217-V227 HydrophobicContact SD-CG1 4.31Å; F224-V227 HydrophobicContact CD2-CG2 4.31Å; F224-V227 HydrophobicContact CE2-CG2 3.59Å; F224-V227 HydrophobicContact CZ-CG2 4.38Å; V227-L250 HydrophobicContact CG2-CD2 4.15Å; V227-H252 HydrophobicContact CG2-CB 4.42Å; V227-P253 PolarHBondContact N-O 2.89Å; V227-L254 HydrophobicContact CB-CD1 3.89Å; V227-L254 HydrophobicContact CG1-CD1 3.63Å; V227-H255 PolarHBondContact O-N 3.21Å
228Y93.7Very high79.5Confident6 Ų652.5 Ų52.52%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-114.3118.7172.9-84.8-92.3000109.5I125 E127 A130 V131 F132 L133 S226 H255 R280I125-Y228 WeakPolarHBondContact CA-OH 3.35Å; I125-Y228 HydrophobicContact CG1-CE1 4.13Å; I125-Y228 HydrophobicContact CG1-CE2 4.34Å; I125-Y228 HydrophobicContact CG2-CE2 4.21Å; E127-Y228 PolarHBondContact OE2-OH 3.18Å; A130-Y228 HydrophobicContact CB-CD2 3.93Å; A130-Y228 HydrophobicContact CB-CE2 4.2Å; V131-Y228 PolarHBondContact O-N 3.45Å; F132-Y228 CarbonylContact C-O 3.54Å; F132-Y228 WeakPolarHBondContact CA-O 3.35Å; F132-Y228 HydrophobicContact CD1-CD2 4.37Å; F132-Y228 AromaticContact CD1-CG 3.87Å; F132-Y228 HydrophobicContact CD1-CG 3.87Å; F132-Y228 HydrophobicContact CE1-CD1 4.03Å; F132-Y228 AromaticContact CE1-CD2 3.76Å; F132-Y228 HydrophobicContact CE1-CD2 3.76Å; F132-Y228 HydrophobicContact CE1-CE2 4.45Å; F132-Y228 AromaticContact CE1-CG 3.51Å; F132-Y228 HydrophobicContact CE1-CG 3.51Å; F132-Y228 AromaticContact CZ-CD2 3.92Å; F132-Y228 HydrophobicContact CZ-CD2 3.92Å; F132-Y228 HydrophobicContact CZ-CE2 4.41Å; F132-Y228 HydrophobicContact CZ-CG 4.16Å; L133-Y228 PolarHBondContact N-O 3.15Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.3Å; Y228-H255 CarbonylContact C-O 3.48Å; Y228-H255 WeakPolarHBondContact CA-O 2.97Å; Y228-H255 HydrophobicContact CD1-CB 3.69Å; Y228-H255 HydrophobicContact CE1-CB 3.59Å; Y228-H255 HydrophobicContact CE2-CB 4.49Å; Y228-H255 AromaticContact CE2-CD2 3.74Å; Y228-H255 HydrophobicContact CG-CB 4.18Å; Y228-H255 AromaticContact CZ-CD2 3.79Å; Y228-H255 AromaticContact CZ-CG 3.93Å; Y228-R280 PolarHBondContact OH-NH2 3.23Å
229L91.8Very high79Confident1 Ų150.2 Ų50.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-104.5109.7172.4172.964.4000109.4L133 D135 T210 T231 L254 H255 I256 V257L133-L229 HydrophobicContact CB-CB 4.43Å; L133-L229 HydrophobicContact CB-CD1 3.66Å; L133-L229 HydrophobicContact CD1-CD1 4.33Å; D135-L229 HydrophobicContact CB-CD1 4.2Å; T210-L229 HydrophobicContact CG2-CD1 3.64Å; T210-L229 HydrophobicContact CG2-CD2 3.92Å; T210-L229 HydrophobicContact CG2-CG 4.45Å; L229-T231 HydrophobicContact CD1-CG2 4.02Å; L229-T231 HydrophobicContact CD2-CG2 3.97Å; L229-T231 HydrophobicContact CG-CG2 3.62Å; L229-L254 HydrophobicContact CB-CD1 3.93Å; L229-H255 PolarHBondContact N-O 3.5Å; L229-I256 HydrophobicContact CB-CG1 4.26Å; L229-I256 HydrophobicContact CD2-CD1 4.39Å; L229-I256 HydrophobicContact CD2-CG1 4.47Å; L229-I256 CarbonylContact O-C 3.55Å; L229-I256 VanDerWaalsContact O-CA 3.26Å; L229-I256 WeakPolarHBondContact O-CA 3.32Å; L229-I256 WeakPolarHBondContact O-CG2 3.35Å; L229-V257 PolarHBondContact O-N 3.07Å
230I91.9Very high78.7Confident1 Ų145.1 Ų45.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-97.7111.6176.6-55.5176.2000107.1F122 F132 L133 L134 D135 F147 L151 L154 V257F122-I230 HydrophobicContact CD1-CD1 3.81Å; F122-I230 HydrophobicContact CD1-CG1 4.39Å; F122-I230 HydrophobicContact CD1-CG2 4.37Å; F122-I230 HydrophobicContact CE1-CD1 3.93Å; F122-I230 HydrophobicContact CE1-CG2 4.02Å; F132-I230 HydrophobicContact CD1-CD1 4.08Å; L133-I230 PolarHBondContact O-N 2.97Å; L134-I230 HydrophobicContact CD2-CB 4.03Å; L134-I230 HydrophobicContact CD2-CD1 3.83Å; L134-I230 HydrophobicContact CD2-CG1 4.33Å; D135-I230 PolarHBondContact N-O 3.49Å; F147-I230 HydrophobicContact CE2-CG2 3.6Å; F147-I230 HydrophobicContact CZ-CG2 3.67Å; L151-I230 HydrophobicContact CD2-CD1 3.98Å; L154-I230 HydrophobicContact CD2-CD1 4.09Å; I230-V257 WeakPolarHBondContact CA-O 3.33Å; I230-V257 HydrophobicContact CB-CB 4.49Å; I230-V257 HydrophobicContact CG1-CB 4.15Å; I230-V257 HydrophobicContact CG1-CG2 4.31Å; I230-V257 HydrophobicContact CG2-CB 4.36Å
231T88.3Confident78.5Confident0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-112.3131-176.765.80000110.2D135 L229 T236 I256 V257 Y259D135-T231 HydrophobicContact CB-CG2 4.27Å; L229-T231 HydrophobicContact CD1-CG2 4.02Å; L229-T231 HydrophobicContact CD2-CG2 3.97Å; L229-T231 HydrophobicContact CG-CG2 3.62Å; T231-T236 HydrophobicContact CG2-CG2 3.85Å; T231-I256 HydrophobicContact CG2-CG2 4.4Å; T231-V257 PolarHBondContact N-O 2.9Å; T231-V257 PolarHBondContact OG1-O 2.97Å; T231-Y259 PolarHBondContact O-N 3.36Å
232E81.6Confident78.6Confident15 Ų1546.4 Ų46.47%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-103133.4173.8-169-85.8158.100112.2D135 T138 Y259D135-E232 PolarHBondContact O-N 3.07Å; T138-E232 WeakPolarHBondContact CA-OE2 3.27Å; T138-E232 VanDerWaalsContact CB-OE2 3.23Å; T138-E232 WeakPolarHBondContact CB-OE2 3.26Å; T138-E232 PolarHBondContact N-OE2 3.34Å; T138-E232 PolarHBondContact OG1-OE2 3.04Å; E232-Y259 WeakPolarHBondContact CA-O 3.22Å; E232-Y259 HydrophobicContact CG-CD1 3.91Å
233G69.4Low78.8Confident8 Ų842.9 Ų42.98%0.08224%0.236CC..THydrogen-bonded Turntrans70.8-168.4177.500000115.9S235 Y259G233-S235 PolarHBondContact O-N 3.08Å; G233-S235 VanDerWaalsContact O-N 3.09Å; G233-Y259 PolarHBondContact N-O 2.78Å
234E65.4Low78.9Confident112 Ų11240 Ų4052%0.52321%0.211SC..THydrogen-bonded Turntrans-78.415.2-174.7-53.3-176.9156.600113.7T236 D263E234-T236 PolarHBondContact O-N 2.98Å; E234-D263 HydrophobicContact CB-CB 4.48Å; E234-D263 HydrophobicContact CG-CB 3.94Å; E234-D263 WeakPolarHBondContact OE1-CB 3.39Å; E234-D263 PolarHBondContact OE1-N 2.88Å
235S58.7Low78.7Confident44 Ų4443.8 Ų43.831%0.30823%0.232SC..THydrogen-bonded Turntrans-101.422.1-145.3-49.10000115K137 G233K137-S235 VanDerWaalsContact CD-O 3.31Å; K137-S235 WeakPolarHBondContact CD-O 3.44Å; K137-S235 PolarHBondContact NZ-O 2.73Å; G233-S235 PolarHBondContact O-N 3.08Å; G233-S235 VanDerWaalsContact O-N 3.09Å
236T59.1Low78.5Confident14 Ų1441.2 Ų41.29%0.08622%0.221CC..THydrogen-bonded Turntrans-103.5-3.7-175.753.10000114.6T231 E234 T238 T266 L270T231-T236 HydrophobicContact CG2-CG2 3.85Å; E234-T236 PolarHBondContact O-N 2.98Å; T236-T238 PolarHBondContact O-N 3.49Å; T236-T238 VanDerWaalsContact O-N 3.12Å; T236-T266 WeakPolarHBondContact OG1-CG2 3.34Å; T236-L270 HydrophobicContact CG2-CD2 4.28Å
237M56.6Low78.2Confident76 Ų7641.2 Ų41.237%0.37422%0.221SC..THydrogen-bonded Turntrans-77.29.1-172-66.8-60.992.600116P240 T266 Y269M237-P240 WeakPolarHBondContact O-CD 3.46Å; M237-T266 HydrophobicContact CE-CG2 4.19Å; M237-Y269 HydrophobicContact CE-CD1 3.12Å; M237-Y269 HydrophobicContact CE-CD2 4.31Å; M237-Y269 HydrophobicContact CE-CE1 3.67Å; M237-Y269 HydrophobicContact CE-CG 3.48Å; M237-Y269 VanDerWaalsContact CE-CG 3.48Å; M237-Y269 HydrophobicContact SD-CD1 4.45Å; M237-Y269 HydrophobicContact SD-CG 4.29Å
238T58.3Low77.9Confident96 Ų9645.8 Ų45.859%0.58924%0.24SC*.THydrogen-bonded Turntrans-82.8-19.1-168.5-8.90000115.3T236T236-T238 PolarHBondContact O-N 3.49Å; T236-T238 VanDerWaalsContact O-N 3.12Å
239S68.7Low77.5Confident20 Ų2050.6 Ų50.614%0.1427%0.271CS..SBendtrans-154.45217469.40000114S207 E241 L242 L243S207-S239 PolarHBondContact O-OG 3.44Å; S239-E241 VanDerWaalsContact C-N 3.29Å; S239-E241 PolarHBondContact O-N 3.2Å; S239-E241 VanDerWaalsContact O-N 3.11Å; S239-L242 PolarHBondContact O-N 3.28Å; S239-L243 PolarHBondContact O-N 3.48Å
240P77.1Confident77.2Confident42 Ų4252.2 Ų52.227%0.27328%0.279SS..Hα-helixtrans-55.3-39-167.522-34000114M237 L242 L243 E244 Y269M237-P240 WeakPolarHBondContact O-CD 3.46Å; P240-L242 PolarHBondContact O-N 2.94Å; P240-L243 PolarHBondContact O-N 3.45Å; P240-E244 WeakPolarHBondContact O-CB 3.49Å; P240-E244 PolarHBondContact O-N 3.35Å; P240-Y269 VanDerWaalsContact CA-OH 3.27Å; P240-Y269 WeakPolarHBondContact CA-OH 3.47Å; P240-Y269 HydrophobicContact CB-CD2 4.24Å; P240-Y269 HydrophobicContact CB-CE2 3.42Å; P240-Y269 VanDerWaalsContact CB-CE2 3.42Å; P240-Y269 PolarHBondContact O-OH 2.89Å; P240-Y269 VanDerWaalsContact O-OH 3.07Å
241E78.8Confident76.8Confident153 Ų15361.6 Ų61.672%0.71532%0.32SS*.Hα-helixtrans-61.8-38.3179.1-60-179.317700113.4S239 N245S239-E241 VanDerWaalsContact C-N 3.29Å; S239-E241 PolarHBondContact O-N 3.2Å; S239-E241 VanDerWaalsContact O-N 3.11Å; E241-N245 WeakPolarHBondContact O-CB 3.44Å; E241-N245 PolarHBondContact O-N 3.39Å; E241-N245 VanDerWaalsContact O-N 3.08Å; E241-N245 PolarHBondContact O-ND2 2.9Å
242L82.4Confident76.8Confident96 Ų9664 Ų6450%0.50333%0.331SS..Hα-helixtrans-69.7-46.9178.9-67.9179.9000110.6T211 S239 P240 N245 I246T211-L242 HydrophobicContact CG2-CB 4.46Å; S239-L242 PolarHBondContact O-N 3.28Å; P240-L242 PolarHBondContact O-N 2.94Å; L242-N245 PolarHBondContact O-N 3.01Å; L242-I246 WeakPolarHBondContact O-CG1 3.49Å; L242-I246 PolarHBondContact O-N 3.49Å; L242-I246 VanDerWaalsContact O-N 3.09Å
243L83.8Confident77.2Confident10 Ų1065.1 Ų65.15%0.05234%0.339CS..Hα-helixtrans-62.7-45.8178.9-175.361.9000110.9T210 I214 S239 P240 N245 I246 V247 L273T210-L243 HydrophobicContact CG2-CD1 4.21Å; I214-L243 HydrophobicContact CD1-CD1 3.65Å; S239-L243 PolarHBondContact O-N 3.48Å; P240-L243 PolarHBondContact O-N 3.45Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 2.89Å; L243-I246 PolarHBondContact O-N 3.29Å; L243-V247 HydrophobicContact CD1-CG2 4.22Å; L243-V247 HydrophobicContact CG-CG2 4.38Å; L243-V247 WeakPolarHBondContact O-CB 3.28Å; L243-V247 VanDerWaalsContact O-CG2 3.29Å; L243-V247 WeakPolarHBondContact O-CG2 3.45Å; L243-V247 PolarHBondContact O-N 3.37Å; L243-L273 HydrophobicContact CD2-CD2 3.62Å; L243-L273 HydrophobicContact CG-CD1 4.33Å; L243-L273 HydrophobicContact CG-CD2 3.89Å
244E86.2Confident78.3Confident45 Ų4564.8 Ų64.821%0.2134%0.336CS..Hα-helixtrans-55.4-45.8173.7-86.2-162.5-140.100112.8P240 I246 V247 K248 Y269 L273 Y276P240-E244 WeakPolarHBondContact O-CB 3.49Å; P240-E244 PolarHBondContact O-N 3.35Å; E244-I246 VanDerWaalsContact C-N 3.34Å; E244-I246 PolarHBondContact O-N 2.9Å; E244-V247 PolarHBondContact O-N 2.72Å; E244-K248 WeakPolarHBondContact O-CB 3.38Å; E244-K248 WeakPolarHBondContact O-CD 3.5Å; E244-K248 WeakPolarHBondContact O-CG 3.32Å; E244-K248 PolarHBondContact O-N 3.22Å; E244-K248 WeakPolarHBondContact OE2-CE 3.43Å; E244-K248 IonicContact OE2-NZ 2.82Å; E244-K248 PolarHBondContact OE2-NZ 3.45Å; E244-Y269 HydrophobicContact CG-CE2 4.13Å; E244-L273 HydrophobicContact CB-CD1 4.42Å; E244-L273 HydrophobicContact CG-CD1 3.76Å; E244-Y276 HydrophobicContact CG-CE2 3.99Å; E244-Y276 WeakPolarHBondContact OE2-CE2 3.47Å; E244-Y276 PolarHBondContact OE2-OH 3.36Å
245N84.9Confident79.6Confident97 Ų9759.8 Ų59.852%0.51931%0.312SS..Hα-helixtrans-63.8-39-179.2-75.7-27.9000112.1E241 L242 L243E241-N245 WeakPolarHBondContact O-CB 3.44Å; E241-N245 PolarHBondContact O-N 3.39Å; E241-N245 VanDerWaalsContact O-N 3.08Å; E241-N245 PolarHBondContact O-ND2 2.9Å; L242-N245 PolarHBondContact O-N 3.01Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 2.89Å
246I85.8Confident81.2Confident30 Ų3057.7 Ų57.715%0.15430%0.298CS..Hα-helixtrans-71.7-43.4175.7-60.4-150.7000111.4T211 I214 L215 L242 L243 E244 K248 T249 L250T211-I246 HydrophobicContact CG2-CD1 3.29Å; T211-I246 HydrophobicContact CG2-CG1 3.9Å; I214-I246 HydrophobicContact CB-CG2 4.25Å; I214-I246 HydrophobicContact CG2-CG2 3.62Å; L215-I246 HydrophobicContact CD1-CD1 3.62Å; L215-I246 HydrophobicContact CD2-CD1 3.78Å; L215-I246 HydrophobicContact CG-CD1 3.54Å; L242-I246 WeakPolarHBondContact O-CG1 3.49Å; L242-I246 PolarHBondContact O-N 3.49Å; L242-I246 VanDerWaalsContact O-N 3.09Å; L243-I246 PolarHBondContact O-N 3.29Å; E244-I246 VanDerWaalsContact C-N 3.34Å; E244-I246 PolarHBondContact O-N 2.9Å; I246-K248 VanDerWaalsContact C-N 3.26Å; I246-K248 PolarHBondContact O-N 3.35Å; I246-T249 WeakPolarHBondContact O-CA 3.22Å; I246-T249 PolarHBondContact O-N 2.89Å; I246-T249 PolarHBondContact O-OG1 3.27Å; I246-L250 PolarHBondContact O-N 3.29Å
247V86.7Confident82.7Confident0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-61.3-35.6178.9173.10000111.5I214 L243 E244 T249 L250 L254 L273 T277I214-V247 HydrophobicContact CD1-CG2 4.38Å; L243-V247 HydrophobicContact CD1-CG2 4.22Å; L243-V247 HydrophobicContact CG-CG2 4.38Å; L243-V247 WeakPolarHBondContact O-CB 3.28Å; L243-V247 VanDerWaalsContact O-CG2 3.29Å; L243-V247 WeakPolarHBondContact O-CG2 3.45Å; L243-V247 PolarHBondContact O-N 3.37Å; E244-V247 PolarHBondContact O-N 2.72Å; V247-T249 PolarHBondContact O-N 3.24Å; V247-L250 VanDerWaalsContact O-CB 3.32Å; V247-L250 WeakPolarHBondContact O-CB 2.93Å; V247-L250 PolarHBondContact O-N 2.86Å; V247-L254 HydrophobicContact CB-CD2 4.43Å; V247-L254 HydrophobicContact CG1-CD2 3.89Å; V247-L254 HydrophobicContact CG2-CD2 3.57Å; V247-L273 HydrophobicContact CB-CD1 4.19Å; V247-L273 HydrophobicContact CB-CG 4.44Å; V247-L273 HydrophobicContact CG1-CD1 4.41Å; V247-L273 HydrophobicContact CG1-CG 4.27Å; V247-L273 HydrophobicContact CG2-CD1 4.12Å; V247-L273 HydrophobicContact CG2-CD2 4.21Å; V247-L273 HydrophobicContact CG2-CG 4.14Å; V247-T277 HydrophobicContact CG1-CG2 3.66Å; V247-T277 WeakPolarHBondContact O-CG2 3.39Å
248K86.3Confident84.3Confident96 Ų9653.6 Ų53.642%0.41728%0.277SS..THydrogen-bonded Turntrans-62.9-20171.5-71.5161.1-168.2163.70114E244 I246 Y276E244-K248 WeakPolarHBondContact O-CB 3.38Å; E244-K248 WeakPolarHBondContact O-CD 3.5Å; E244-K248 WeakPolarHBondContact O-CG 3.32Å; E244-K248 PolarHBondContact O-N 3.22Å; E244-K248 WeakPolarHBondContact OE2-CE 3.43Å; E244-K248 IonicContact OE2-NZ 2.82Å; E244-K248 PolarHBondContact OE2-NZ 3.45Å; I246-K248 VanDerWaalsContact C-N 3.26Å; I246-K248 PolarHBondContact O-N 3.35Å; K248-Y276 HydrophobicContact CD-CE1 4.42Å; K248-Y276 WeakPolarHBondContact CE-OH 3.4Å; K248-Y276 HydrophobicContact CG-CD1 4.02Å; K248-Y276 HydrophobicContact CG-CD2 4.44Å; K248-Y276 HydrophobicContact CG-CE1 4.4Å; K248-Y276 HydrophobicContact CG-CG 4.04Å; K248-Y276 PolarHBondContact NZ-OH 2.89Å
249T85.8Confident85.8Confident107 Ų10749.2 Ų49.266%0.65625%0.249SC*.THydrogen-bonded Turntrans-94.9-8.6173.667.60000113.9I246 V247 K251I246-T249 WeakPolarHBondContact O-CA 3.22Å; I246-T249 PolarHBondContact O-N 2.89Å; I246-T249 PolarHBondContact O-OG1 3.27Å; V247-T249 PolarHBondContact O-N 3.24Å; T249-K251 PolarHBondContact O-N 2.85Å
250L85.1Confident86.5Confident34 Ų3449.5 Ų49.518%0.17825%0.251CS..  trans-73.3126.6-177.1-168.767.9000110.7I214 V227 I246 V247 H252 L254 T277I214-L250 HydrophobicContact CG2-CD1 4.1Å; V227-L250 HydrophobicContact CG2-CD2 4.15Å; I246-L250 PolarHBondContact O-N 3.29Å; V247-L250 VanDerWaalsContact O-CB 3.32Å; V247-L250 WeakPolarHBondContact O-CB 2.93Å; V247-L250 PolarHBondContact O-N 2.86Å; L250-H252 VanDerWaalsContact C-N 3.33Å; L250-H252 WeakPolarHBondContact CD2-O 3.22Å; L250-H252 WeakPolarHBondContact CG-O 3.33Å; L250-L254 HydrophobicContact CD2-CB 4.05Å; L250-T277 HydrophobicContact CB-CG2 4.24Å
251K84.4Confident86.9Confident198 Ų19847.5 Ų47.586%0.86124%0.238SC*.SBendtrans-81.7-11.6-179.4-62.9-178.1-178172.90114.2T249T249-K251 PolarHBondContact O-N 2.85Å
252H87Confident86.9Confident52 Ų5246.7 Ų46.724%0.24123%0.234CC..SBendtrans-110.8145.2-174.9-60-81.6000109.4F224 V227 L250 L254F224-H252 HydrophobicContact CD2-CB 4.42Å; F224-H252 AromaticContact CD2-CG 3.97Å; F224-H252 HydrophobicContact CE2-CB 4.02Å; F224-H252 AromaticContact CE2-CD2 3.54Å; F224-H252 AromaticContact CE2-CG 3.63Å; F224-H252 AromaticContact CZ-CD2 3.96Å; F224-H252 PolarHBondContact O-CE1 2.99Å; F224-H252 PolarHBondContact O-ND1 3.49Å; V227-H252 HydrophobicContact CG2-CB 4.42Å; L250-H252 VanDerWaalsContact C-N 3.33Å; L250-H252 WeakPolarHBondContact CD2-O 3.22Å; L250-H252 WeakPolarHBondContact CG-O 3.33Å; H252-L254 PolarHBondContact O-N 3.3Å
253P91.1Very high87Confident38 Ų3844.2 Ų44.225%0.24722%0.222CC..  trans-59.1130.4173.425-34.1000110.6E225 V227E225-P253 WeakPolarHBondContact O-CD 3.42Å; V227-P253 PolarHBondContact N-O 2.89Å
254L92.1Very high87.1Confident0 Ų046.5 Ų46.50%023%0.233CC..EExtended strand (participates in β ladder)trans-98102.8173.217863.3000109.2V227 L229 V247 L250 H252 I256 L273 T277 G279V227-L254 HydrophobicContact CB-CD1 3.89Å; V227-L254 HydrophobicContact CG1-CD1 3.63Å; L229-L254 HydrophobicContact CB-CD1 3.93Å; V247-L254 HydrophobicContact CB-CD2 4.43Å; V247-L254 HydrophobicContact CG1-CD2 3.89Å; V247-L254 HydrophobicContact CG2-CD2 3.57Å; L250-L254 HydrophobicContact CD2-CB 4.05Å; H252-L254 PolarHBondContact O-N 3.3Å; L254-I256 HydrophobicContact CD2-CD1 4.13Å; L254-I256 HydrophobicContact CD2-CG1 4.32Å; L254-I256 HydrophobicContact CG-CD1 4.31Å; L254-I256 HydrophobicContact CG-CG1 3.98Å; L254-L273 HydrophobicContact CD2-CD2 4.18Å; L254-L273 HydrophobicContact CD2-CG 4.46Å; L254-T277 HydrophobicContact CB-CG2 4.4Å; L254-T277 PolarHBondContact N-OG1 2.88Å; L254-G279 WeakPolarHBondContact O-CA 3.16Å
255H92.7Very high87Confident8 Ų852 Ų524%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-82.7140.9168.3-49.3-74.4000109.2E127 S226 V227 Y228 L229 R280E127-H255 IonicContact OE1-CE1 2.79Å; E127-H255 IonicContact OE1-NE2 3.2Å; E127-H255 PolarHBondContact OE1-NE2 3.38Å; S226-H255 WeakPolarHBondContact CB-NE2 3.49Å; V227-H255 PolarHBondContact O-N 3.21Å; Y228-H255 CarbonylContact C-O 3.48Å; Y228-H255 WeakPolarHBondContact CA-O 2.97Å; Y228-H255 HydrophobicContact CD1-CB 3.69Å; Y228-H255 HydrophobicContact CE1-CB 3.59Å; Y228-H255 HydrophobicContact CE2-CB 4.49Å; Y228-H255 AromaticContact CE2-CD2 3.74Å; Y228-H255 HydrophobicContact CG-CB 4.18Å; Y228-H255 AromaticContact CZ-CD2 3.79Å; Y228-H255 AromaticContact CZ-CG 3.93Å; L229-H255 PolarHBondContact N-O 3.5Å; H255-R280 CarbonylContact C-O 3.59Å; H255-R280 WeakPolarHBondContact CA-O 3.35Å; H255-R280 WeakPolarHBondContact CB-O 3.38Å; H255-R280 VanDerWaalsContact ND1-CB 3.33Å; H255-R280 WeakPolarHBondContact ND1-CB 3.29Å; H255-R280 WeakPolarHBondContact ND1-CG 3.18Å; H255-R280 PolarHBondContact ND1-N 2.92Å; H255-R280 PolarHBondContact ND1-NE 2.95Å
256I91.6Very high87.1Confident0 Ų047.4 Ų47.40%023%0.232CC..EExtended strand (participates in β ladder)trans-126.8131.8179.7-54.8179.5000109.7L229 T231 L254 L270 L273 C274 R280 F281 H282L229-I256 HydrophobicContact CB-CG1 4.26Å; L229-I256 HydrophobicContact CD2-CD1 4.39Å; L229-I256 HydrophobicContact CD2-CG1 4.47Å; L229-I256 CarbonylContact O-C 3.55Å; L229-I256 VanDerWaalsContact O-CA 3.26Å; L229-I256 WeakPolarHBondContact O-CA 3.32Å; L229-I256 WeakPolarHBondContact O-CG2 3.35Å; T231-I256 HydrophobicContact CG2-CG2 4.4Å; L254-I256 HydrophobicContact CD2-CD1 4.13Å; L254-I256 HydrophobicContact CD2-CG1 4.32Å; L254-I256 HydrophobicContact CG-CD1 4.31Å; L254-I256 HydrophobicContact CG-CG1 3.98Å; I256-L270 HydrophobicContact CD1-CD2 4.39Å; I256-L270 WeakPolarHBondContact CD1-O 3.39Å; I256-L270 HydrophobicContact CG2-CB 4.29Å; I256-L270 HydrophobicContact CG2-CD1 4.48Å; I256-L270 HydrophobicContact CG2-CD2 4.29Å; I256-L273 HydrophobicContact CD1-CB 4Å; I256-L273 HydrophobicContact CD1-CD2 3.73Å; I256-L273 HydrophobicContact CD1-CG 4.23Å; I256-C274 VanDerWaalsContact CD1-SG 3.54Å; I256-C274 WeakPolarHBondContact CG1-SG 3.27Å; I256-R280 PolarHBondContact N-O 3.16Å; I256-F281 HydrophobicContact CB-CD2 4.1Å; I256-F281 HydrophobicContact CG2-CD2 4.36Å; I256-F281 HydrophobicContact CG2-CE2 4.27Å; I256-H282 PolarHBondContact O-N 3.37Å
257V91.5Very high87.2Confident3 Ų346 Ų462%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-111.7111.1172.2-175.80000108.6I121 F122 L229 I230 T231 H282I121-V257 WeakPolarHBondContact O-CG1 3.34Å; F122-V257 HydrophobicContact CB-CG2 4.35Å; F122-V257 HydrophobicContact CD1-CG1 3.95Å; F122-V257 HydrophobicContact CD1-CG2 4.47Å; L229-V257 PolarHBondContact O-N 3.07Å; I230-V257 WeakPolarHBondContact CA-O 3.33Å; I230-V257 HydrophobicContact CB-CB 4.49Å; I230-V257 HydrophobicContact CG1-CB 4.15Å; I230-V257 HydrophobicContact CG1-CG2 4.31Å; I230-V257 HydrophobicContact CG2-CB 4.36Å; T231-V257 PolarHBondContact N-O 2.9Å; T231-V257 PolarHBondContact OG1-O 2.97Å; V257-H282 CarbonylContact C-O 3.52Å; V257-H282 VanDerWaalsContact CA-O 3.29Å; V257-H282 WeakPolarHBondContact CA-O 3.5Å; V257-H282 HydrophobicContact CG2-CB 4.4Å
258S89.8Confident87.2Confident0 Ų049.7 Ų49.70%024%0.244CC..EExtended strand (participates in β ladder)trans-88.4111.7171.4-178.70000109.4C261 H282 A283 Y284S258-C261 WeakPolarHBondContact OG-CB 3.47Å; S258-H282 PolarHBondContact N-O 3.29Å; S258-A283 WeakPolarHBondContact O-CA 3.29Å; S258-Y284 PolarHBondContact O-N 3.45Å
259Y89.1Confident87.3Confident4 Ų446.4 Ų46.42%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-102.7122.5179.4-173.1-87.8000110.3I121 I143 F147 T231 E232 G233 C261 Y284I121-Y259 HydrophobicContact CG2-CD2 3.64Å; I121-Y259 HydrophobicContact CG2-CE2 3.6Å; I143-Y259 HydrophobicContact CG2-CE1 4.37Å; F147-Y259 HydrophobicContact CB-CD1 4.49Å; F147-Y259 HydrophobicContact CB-CE1 3.95Å; F147-Y259 AromaticContact CD2-CD1 3.64Å; F147-Y259 HydrophobicContact CD2-CD1 3.64Å; F147-Y259 HydrophobicContact CD2-CD2 4.05Å; F147-Y259 AromaticContact CD2-CE1 3.85Å; F147-Y259 HydrophobicContact CD2-CE1 3.85Å; F147-Y259 HydrophobicContact CD2-CE2 4.24Å; F147-Y259 AromaticContact CD2-CG 3.75Å; F147-Y259 HydrophobicContact CD2-CG 3.75Å; F147-Y259 HydrophobicContact CE2-CD1 4.37Å; F147-Y259 HydrophobicContact CE2-CD2 4.48Å; F147-Y259 HydrophobicContact CE2-CG 4.13Å; F147-Y259 HydrophobicContact CG-CD1 4.48Å; F147-Y259 HydrophobicContact CG-CE1 4.38Å; T231-Y259 PolarHBondContact O-N 3.36Å; E232-Y259 WeakPolarHBondContact CA-O 3.22Å; E232-Y259 HydrophobicContact CG-CD1 3.91Å; G233-Y259 PolarHBondContact N-O 2.78Å; Y259-C261 PolarHBondContact O-N 2.82Å; Y259-Y284 AromaticContact CD2-CD1 3.89Å; Y259-Y284 HydrophobicContact CD2-CD1 3.89Å; Y259-Y284 HydrophobicContact CD2-CE1 4.49Å; Y259-Y284 AromaticContact CE2-CD1 3.84Å; Y259-Y284 HydrophobicContact CE2-CD1 3.84Å; Y259-Y284 AromaticContact CE2-CE1 3.97Å; Y259-Y284 HydrophobicContact CE2-CE1 3.97Å
260C85.2Confident87.5Confident27 Ų2741.3 Ų41.318%0.18220%0.198CC..SBendtrans50.635.2178.4-64.70000115.4Y284C260-Y284 PolarHBondContact N-O 2.99Å
261C83.5Confident87.7Confident0 Ų043.1 Ų43.10%021%0.205CC..  trans-86.4129.5167.8-170.40000110.2S258 Y259 I267S258-C261 WeakPolarHBondContact OG-CB 3.47Å; Y259-C261 PolarHBondContact O-N 2.82Å; C261-I267 HydrophobicContact CB-CD1 4.4Å; C261-I267 HydrophobicContact CB-CG1 4.26Å
262E80.6Confident87.9Confident135 Ų13537.6 Ų37.663%0.63119%0.185SC*.  trans-101.6-25.5174.6-64-163.6167.100113M264E262-M264 WeakPolarHBondContact O-CE 3.37Å; E262-M264 PolarHBondContact O-N 2.93Å
263D83.8Confident87.9Confident45 Ų4535.1 Ų35.124%0.24117%0.174CC..  trans-68113176.7173.740.1000113.2E234 K265 T266 I267E234-D263 HydrophobicContact CB-CB 4.48Å; E234-D263 HydrophobicContact CG-CB 3.94Å; E234-D263 WeakPolarHBondContact OE1-CB 3.39Å; E234-D263 PolarHBondContact OE1-N 2.88Å; D263-K265 VanDerWaalsContact C-N 3.26Å; D263-K265 PolarHBondContact O-N 3.47Å; D263-K265 PolarHBondContact OD1-N 3.31Å; D263-K265 WeakPolarHBondContact OD2-CB 3.25Å; D263-T266 PolarHBondContact O-N 3.19Å; D263-T266 VanDerWaalsContact OD2-CB 3.28Å; D263-T266 WeakPolarHBondContact OD2-CB 3.25Å; D263-T266 PolarHBondContact OD2-N 3.35Å; D263-T266 PolarHBondContact OD2-OG1 2.97Å; D263-I267 WeakPolarHBondContact O-CG1 3.19Å; D263-I267 PolarHBondContact O-N 2.68Å; D263-I267 VanDerWaalsContact O-N 3.14Å
264M85.3Confident87.8Confident57 Ų5733.5 Ų33.528%0.28116%0.163SC..Hα-helixtrans-59.5-31.6175.1-67-61.311100113.2E262 I267 D268 P318 K319 W321E262-M264 WeakPolarHBondContact O-CE 3.37Å; E262-M264 PolarHBondContact O-N 2.93Å; M264-I267 HydrophobicContact CE-CD1 3.66Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 HydrophobicContact SD-CD1 4.49Å; M264-D268 WeakPolarHBondContact O-CB 3.39Å; M264-D268 PolarHBondContact O-N 2.8Å; M264-P318 HydrophobicContact CE-CB 3.75Å; M264-K319 WeakPolarHBondContact CE-O 3.34Å; M264-W321 HydrophobicContact SD-CE3 4.41Å
265K85.4Confident87.6Confident160 Ų16037.3 Ų37.370%0.69619%0.187SC*.Hα-helixtrans-69.5-42.1-178.5-62.8175.2-178.9172.50111.6D263 I267 D268 Y269D263-K265 VanDerWaalsContact C-N 3.26Å; D263-K265 PolarHBondContact O-N 3.47Å; D263-K265 PolarHBondContact OD1-N 3.31Å; D263-K265 WeakPolarHBondContact OD2-CB 3.25Å; K265-I267 VanDerWaalsContact C-N 3.34Å; K265-D268 PolarHBondContact O-N 2.86Å; K265-Y269 WeakPolarHBondContact O-CB 3.22Å; K265-Y269 PolarHBondContact O-N 2.74Å
266T85.9Confident87.3Confident2 Ų242.1 Ų42.11%0.01221%0.205CC..Hα-helixtrans-63.4-41.7173.6-61.60000110.6T236 M237 D263 Y269 L270T236-T266 WeakPolarHBondContact OG1-CG2 3.34Å; M237-T266 HydrophobicContact CE-CG2 4.19Å; D263-T266 PolarHBondContact O-N 3.19Å; D263-T266 VanDerWaalsContact OD2-CB 3.28Å; D263-T266 WeakPolarHBondContact OD2-CB 3.25Å; D263-T266 PolarHBondContact OD2-N 3.35Å; D263-T266 PolarHBondContact OD2-OG1 2.97Å; T266-Y269 PolarHBondContact O-N 2.85Å; T266-L270 HydrophobicContact CG2-CD1 4.14Å; T266-L270 HydrophobicContact CG2-CG 4.48Å; T266-L270 VanDerWaalsContact O-CG 3.3Å; T266-L270 WeakPolarHBondContact O-CG 3.43Å; T266-L270 PolarHBondContact O-N 3.25Å
267I87.3Confident87.1Confident0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-62.8-47.3175.3-69.7163.2000111.6C261 D263 M264 K265 Y269 L270 H271 F281 P318 W321C261-I267 HydrophobicContact CB-CD1 4.4Å; C261-I267 HydrophobicContact CB-CG1 4.26Å; D263-I267 WeakPolarHBondContact O-CG1 3.19Å; D263-I267 PolarHBondContact O-N 2.68Å; D263-I267 VanDerWaalsContact O-N 3.14Å; M264-I267 HydrophobicContact CE-CD1 3.66Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 HydrophobicContact SD-CD1 4.49Å; K265-I267 VanDerWaalsContact C-N 3.34Å; I267-Y269 VanDerWaalsContact C-N 3.33Å; I267-Y269 PolarHBondContact O-N 3.26Å; I267-L270 PolarHBondContact O-N 3.37Å; I267-H271 VanDerWaalsContact O-CB 3.32Å; I267-H271 WeakPolarHBondContact O-CB 3.43Å; I267-H271 PolarHBondContact O-N 3.3Å; I267-F281 HydrophobicContact CG2-CE1 3.77Å; I267-F281 HydrophobicContact CG2-CZ 3.82Å; I267-P318 HydrophobicContact CD1-CB 3.93Å; I267-P318 HydrophobicContact CD1-CG 3.78Å; I267-W321 HydrophobicContact CG2-CD2 3.54Å; I267-W321 HydrophobicContact CG2-CE3 3.42Å; I267-W321 VanDerWaalsContact CG2-CE3 3.42Å; I267-W321 HydrophobicContact CG2-CG 4.26Å; I267-W321 HydrophobicContact CG2-CH2 3.81Å; I267-W321 HydrophobicContact CG2-CZ2 3.93Å; I267-W321 HydrophobicContact CG2-CZ3 3.56Å
268D87.7Confident86.8Confident78 Ų7846.3 Ų46.342%0.41724%0.244SC..Hα-helixtrans-57.7-44.4174.8-88.5-33.4000111.5M264 K265 H271 N272 W321M264-D268 WeakPolarHBondContact O-CB 3.39Å; M264-D268 PolarHBondContact O-N 2.8Å; K265-D268 PolarHBondContact O-N 2.86Å; D268-H271 PolarHBondContact O-N 3.35Å; D268-N272 WeakPolarHBondContact O-CB 3.41Å; D268-N272 PolarHBondContact O-N 3.46Å; D268-N272 PolarHBondContact O-ND2 3.26Å; D268-W321 WeakPolarHBondContact OD1-CZ3 3.44Å
269Y88.7Confident86.6Confident26 Ų2647.2 Ų47.210%0.10225%0.253CS..Hα-helixtrans-61.3-49.4176170.6-91.3000112.1M237 P240 E244 K265 T266 I267 H271 N272 L273M237-Y269 HydrophobicContact CE-CD1 3.12Å; M237-Y269 HydrophobicContact CE-CD2 4.31Å; M237-Y269 HydrophobicContact CE-CE1 3.67Å; M237-Y269 HydrophobicContact CE-CG 3.48Å; M237-Y269 VanDerWaalsContact CE-CG 3.48Å; M237-Y269 HydrophobicContact SD-CD1 4.45Å; M237-Y269 HydrophobicContact SD-CG 4.29Å; P240-Y269 VanDerWaalsContact CA-OH 3.27Å; P240-Y269 WeakPolarHBondContact CA-OH 3.47Å; P240-Y269 HydrophobicContact CB-CD2 4.24Å; P240-Y269 HydrophobicContact CB-CE2 3.42Å; P240-Y269 VanDerWaalsContact CB-CE2 3.42Å; P240-Y269 PolarHBondContact O-OH 2.89Å; P240-Y269 VanDerWaalsContact O-OH 3.07Å; E244-Y269 HydrophobicContact CG-CE2 4.13Å; K265-Y269 WeakPolarHBondContact O-CB 3.22Å; K265-Y269 PolarHBondContact O-N 2.74Å; T266-Y269 PolarHBondContact O-N 2.85Å; I267-Y269 VanDerWaalsContact C-N 3.33Å; I267-Y269 PolarHBondContact O-N 3.26Å; Y269-H271 VanDerWaalsContact C-N 3.34Å; Y269-H271 PolarHBondContact O-N 3.09Å; Y269-N272 PolarHBondContact O-N 2.91Å; Y269-L273 HydrophobicContact CE1-CD2 4.49Å; Y269-L273 PolarHBondContact O-N 2.9Å
270L88.8Confident86.6Confident0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-64.8-38.8-180-68.9174.1000111.7T236 I256 T266 I267 L273 C274 F281T236-L270 HydrophobicContact CG2-CD2 4.28Å; I256-L270 HydrophobicContact CD1-CD2 4.39Å; I256-L270 WeakPolarHBondContact CD1-O 3.39Å; I256-L270 HydrophobicContact CG2-CB 4.29Å; I256-L270 HydrophobicContact CG2-CD1 4.48Å; I256-L270 HydrophobicContact CG2-CD2 4.29Å; T266-L270 HydrophobicContact CG2-CD1 4.14Å; T266-L270 HydrophobicContact CG2-CG 4.48Å; T266-L270 VanDerWaalsContact O-CG 3.3Å; T266-L270 WeakPolarHBondContact O-CG 3.43Å; T266-L270 PolarHBondContact O-N 3.25Å; I267-L270 PolarHBondContact O-N 3.37Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 3.19Å; L270-C274 PolarHBondContact O-N 2.96Å; L270-C274 PolarHBondContact O-SG 3.39Å; L270-F281 HydrophobicContact CB-CD2 4.34Å; L270-F281 HydrophobicContact CB-CE2 3.62Å; L270-F281 HydrophobicContact CB-CZ 4.33Å
271H89.1Confident86.8Confident72 Ų7250.6 Ų50.633%0.33326%0.263SS..Hα-helixtrans-59-49.5171.5174.9-97000111.1I267 D268 Y269 L273 C274 T275 F281 W321I267-H271 VanDerWaalsContact O-CB 3.32Å; I267-H271 WeakPolarHBondContact O-CB 3.43Å; I267-H271 PolarHBondContact O-N 3.3Å; D268-H271 PolarHBondContact O-N 3.35Å; Y269-H271 VanDerWaalsContact C-N 3.34Å; Y269-H271 PolarHBondContact O-N 3.09Å; H271-L273 VanDerWaalsContact C-N 3.3Å; H271-L273 PolarHBondContact O-N 3.26Å; H271-C274 WeakPolarHBondContact O-CB 3.08Å; H271-C274 PolarHBondContact O-N 3.24Å; H271-T275 PolarHBondContact O-N 3.34Å; H271-F281 HydrophobicContact CB-CD1 3.98Å; H271-F281 HydrophobicContact CB-CD2 4.4Å; H271-F281 HydrophobicContact CB-CE1 4.26Å; H271-F281 HydrophobicContact CB-CG 4.05Å; H271-F281 AromaticContact CD2-CD1 3.97Å; H271-W321 HydrophobicContact CB-CH2 3.88Å; H271-W321 HydrophobicContact CB-CZ2 3.96Å; H271-W321 AromaticContact CD2-CZ2 3.94Å; H271-W321 AromaticContact CG-CH2 3.96Å; H271-W321 AromaticContact CG-CZ2 3.93Å
272N88.8Confident87.1Confident82 Ų8251.5 Ų51.544%0.43927%0.267SS..Hα-helixtrans-61-37.2177-69.9-29.1000112.2D268 Y269 C274 T275D268-N272 WeakPolarHBondContact O-CB 3.41Å; D268-N272 PolarHBondContact O-N 3.46Å; D268-N272 PolarHBondContact O-ND2 3.26Å; Y269-N272 PolarHBondContact O-N 2.91Å; N272-C274 VanDerWaalsContact C-N 3.3Å; N272-C274 PolarHBondContact O-N 3.05Å; N272-T275 PolarHBondContact O-N 3.19Å; N272-T275 VanDerWaalsContact O-N 3.08Å; N272-T275 PolarHBondContact O-OG1 2.95Å
273L88.2Confident87.5Confident1 Ų145.1 Ų45.11%0.00524%0.237CC..Hα-helixtrans-59.5-39.1176.2-16275000112.2L243 E244 V247 L254 I256 Y269 L270 H271 T275L243-L273 HydrophobicContact CD2-CD2 3.62Å; L243-L273 HydrophobicContact CG-CD1 4.33Å; L243-L273 HydrophobicContact CG-CD2 3.89Å; E244-L273 HydrophobicContact CB-CD1 4.42Å; E244-L273 HydrophobicContact CG-CD1 3.76Å; V247-L273 HydrophobicContact CB-CD1 4.19Å; V247-L273 HydrophobicContact CB-CG 4.44Å; V247-L273 HydrophobicContact CG1-CD1 4.41Å; V247-L273 HydrophobicContact CG1-CG 4.27Å; V247-L273 HydrophobicContact CG2-CD1 4.12Å; V247-L273 HydrophobicContact CG2-CD2 4.21Å; V247-L273 HydrophobicContact CG2-CG 4.14Å; L254-L273 HydrophobicContact CD2-CD2 4.18Å; L254-L273 HydrophobicContact CD2-CG 4.46Å; I256-L273 HydrophobicContact CD1-CB 4Å; I256-L273 HydrophobicContact CD1-CD2 3.73Å; I256-L273 HydrophobicContact CD1-CG 4.23Å; Y269-L273 HydrophobicContact CE1-CD2 4.49Å; Y269-L273 PolarHBondContact O-N 2.9Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 3.19Å; H271-L273 VanDerWaalsContact C-N 3.3Å; H271-L273 PolarHBondContact O-N 3.26Å; L273-T275 VanDerWaalsContact C-N 3.31Å; L273-T275 PolarHBondContact O-N 3.2Å
274C88.5Confident87.7Confident3 Ų344.1 Ų44.12%0.0223%0.23CC..Hα-helixtrans-61.3-38.9174.9-610000112.2I256 L270 H271 N272 Y276 T277 G278 G279I256-C274 VanDerWaalsContact CD1-SG 3.54Å; I256-C274 WeakPolarHBondContact CG1-SG 3.27Å; L270-C274 PolarHBondContact O-N 2.96Å; L270-C274 PolarHBondContact O-SG 3.39Å; H271-C274 WeakPolarHBondContact O-CB 3.08Å; H271-C274 PolarHBondContact O-N 3.24Å; N272-C274 VanDerWaalsContact C-N 3.3Å; N272-C274 PolarHBondContact O-N 3.05Å; C274-Y276 VanDerWaalsContact C-N 3.25Å; C274-Y276 PolarHBondContact O-N 3.06Å; C274-T277 PolarHBondContact O-N 2.95Å; C274-T277 VanDerWaalsContact O-N 3.16Å; C274-T277 PolarHBondContact O-OG1 3.1Å; C274-G278 PolarHBondContact O-N 3.44Å; C274-G279 PolarHBondContact O-N 3.48Å
275T87.8Confident87.7Confident81 Ų8141.7 Ų41.750%0.49722%0.219SC..Hα-helixtrans-62.5-31-172.370.60000113.1H271 N272 L273 T277 G278H271-T275 PolarHBondContact O-N 3.34Å; N272-T275 PolarHBondContact O-N 3.19Å; N272-T275 VanDerWaalsContact O-N 3.08Å; N272-T275 PolarHBondContact O-OG1 2.95Å; L273-T275 VanDerWaalsContact C-N 3.31Å; L273-T275 PolarHBondContact O-N 3.2Å; T275-T277 PolarHBondContact O-N 2.89Å; T275-G278 PolarHBondContact O-N 3.06Å
276Y86.8Confident87.4Confident108 Ų10836.2 Ų36.242%0.42420%0.197SC..THydrogen-bonded Turntrans-61.4-25.9178.5-68.8-58.9000114.1E244 K248 C274E244-Y276 HydrophobicContact CG-CE2 3.99Å; E244-Y276 WeakPolarHBondContact OE2-CE2 3.47Å; E244-Y276 PolarHBondContact OE2-OH 3.36Å; K248-Y276 HydrophobicContact CD-CE1 4.42Å; K248-Y276 WeakPolarHBondContact CE-OH 3.4Å; K248-Y276 HydrophobicContact CG-CD1 4.02Å; K248-Y276 HydrophobicContact CG-CD2 4.44Å; K248-Y276 HydrophobicContact CG-CE1 4.4Å; K248-Y276 HydrophobicContact CG-CG 4.04Å; K248-Y276 PolarHBondContact NZ-OH 2.89Å; C274-Y276 VanDerWaalsContact C-N 3.25Å; C274-Y276 PolarHBondContact O-N 3.06Å
277T88Confident86.6Confident30 Ų3038.1 Ų38.118%0.18421%0.207CC..THydrogen-bonded Turntrans-112.51.6-178.960.50000113.4V247 L250 L254 C274 T275 G279V247-T277 HydrophobicContact CG1-CG2 3.66Å; V247-T277 WeakPolarHBondContact O-CG2 3.39Å; L250-T277 HydrophobicContact CB-CG2 4.24Å; L254-T277 HydrophobicContact CB-CG2 4.4Å; L254-T277 PolarHBondContact N-OG1 2.88Å; C274-T277 PolarHBondContact O-N 2.95Å; C274-T277 VanDerWaalsContact O-N 3.16Å; C274-T277 PolarHBondContact O-OG1 3.1Å; T275-T277 PolarHBondContact O-N 2.89Å; T277-G279 PolarHBondContact O-N 2.94Å
278G84.7Confident85.4Confident62 Ų6241.6 Ų41.664%0.63923%0.228SC*.THydrogen-bonded Turntrans67.424-170.300000113.5C274 T275C274-G278 PolarHBondContact O-N 3.44Å; T275-G278 PolarHBondContact O-N 3.06Å
279G85.4Confident84.2Confident18 Ų1843 Ų4319%0.18623%0.232CC..  trans-71.8179.8178.300000114L254 C274 T277L254-G279 WeakPolarHBondContact O-CA 3.16Å; C274-G279 PolarHBondContact O-N 3.48Å; T277-G279 PolarHBondContact O-N 2.94Å
280R88.9Confident82.5Confident64 Ų6445.7 Ų45.724%0.24225%0.247CC..  trans-117.4133.5-178.6-59-178.3-76134.8-8109.8V124 E127 Y228 H255 I256V124-R280 PolarHBondContact O-NH1 3.35Å; V124-R280 PolarHBondContact O-NH2 3.04Å; V124-R280 VanDerWaalsContact O-NH2 3.07Å; E127-R280 IonicContact OE1-CZ 3.89Å; E127-R280 IonicContact OE1-NE 3.91Å; E127-R280 IonicContact OE1-NH2 2.59Å; E127-R280 PolarHBondContact OE1-NH2 3.33Å; E127-R280 IonicContact OE2-NH2 3.64Å; E127-R280 PolarHBondContact OE2-NH2 3.48Å; Y228-R280 PolarHBondContact OH-NH2 3.23Å; H255-R280 CarbonylContact C-O 3.59Å; H255-R280 WeakPolarHBondContact CA-O 3.35Å; H255-R280 WeakPolarHBondContact CB-O 3.38Å; H255-R280 VanDerWaalsContact ND1-CB 3.33Å; H255-R280 WeakPolarHBondContact ND1-CB 3.29Å; H255-R280 WeakPolarHBondContact ND1-CG 3.18Å; H255-R280 PolarHBondContact ND1-N 2.92Å; H255-R280 PolarHBondContact ND1-NE 2.95Å; I256-R280 PolarHBondContact N-O 3.16Å
281F90.2Very high80.8Confident38 Ų3848.5 Ų48.517%0.16727%0.265CS..EExtended strand (participates in β ladder)trans-104135.1178.6-176.7-108000111I256 I267 L270 H271 A283 W321I256-F281 HydrophobicContact CB-CD2 4.1Å; I256-F281 HydrophobicContact CG2-CD2 4.36Å; I256-F281 HydrophobicContact CG2-CE2 4.27Å; I267-F281 HydrophobicContact CG2-CE1 3.77Å; I267-F281 HydrophobicContact CG2-CZ 3.82Å; L270-F281 HydrophobicContact CB-CD2 4.34Å; L270-F281 HydrophobicContact CB-CE2 3.62Å; L270-F281 HydrophobicContact CB-CZ 4.33Å; H271-F281 HydrophobicContact CB-CD1 3.98Å; H271-F281 HydrophobicContact CB-CD2 4.4Å; H271-F281 HydrophobicContact CB-CE1 4.26Å; H271-F281 HydrophobicContact CB-CG 4.05Å; H271-F281 AromaticContact CD2-CD1 3.97Å; F281-A283 HydrophobicContact CE1-CB 3.75Å; F281-A283 HydrophobicContact CZ-CB 3.95Å; F281-W321 AromaticContact CD1-CZ2 3.82Å; F281-W321 HydrophobicContact CD1-CZ2 3.82Å; F281-W321 AromaticContact CD1-NE1 3.98Å; F281-W321 AromaticContact CE1-CE2 3.77Å; F281-W321 AromaticContact CE1-CZ2 3.69Å; F281-W321 HydrophobicContact CE1-CZ2 3.69Å; F281-W321 AromaticContact CE1-NE1 3.74Å
282H89.4Confident78.7Confident19 Ų1947 Ų479%0.08826%0.263CS..EExtended strand (participates in β ladder)trans-132.6128.7175.1-168.496.2000109S120 I121 G123 I256 V257 S258 H324S120-H282 PolarHBondContact O-CE1 2.69Å; S120-H282 PolarHBondContact O-NE2 3Å; I121-H282 PolarHBondContact O-CD2 3.46Å; I121-H282 PolarHBondContact O-NE2 3.41Å; G123-H282 WeakPolarHBondContact CA-ND1 3.36Å; G123-H282 PolarHBondContact N-CE1 3.28Å; G123-H282 VanDerWaalsContact N-CE1 3.28Å; G123-H282 PolarHBondContact N-ND1 2.98Å; G123-H282 PolarHBondContact N-NE2 2.89Å; I256-H282 PolarHBondContact O-N 3.37Å; V257-H282 CarbonylContact C-O 3.52Å; V257-H282 VanDerWaalsContact CA-O 3.29Å; V257-H282 WeakPolarHBondContact CA-O 3.5Å; V257-H282 HydrophobicContact CG2-CB 4.4Å; S258-H282 PolarHBondContact N-O 3.29Å; H282-H324 AromaticContact CD2-CE1 3.87Å; H282-H324 AromaticContact CE1-CE1 3.08Å; H282-H324 PolarHBondContact CE1-CE1 2.91Å; H282-H324 AromaticContact CE1-CG 3.76Å; H282-H324 AromaticContact CE1-ND1 3.14Å; H282-H324 PolarHBondContact CE1-ND1 3.16Å; H282-H324 AromaticContact CE1-NE2 3.67Å; H282-H324 AromaticContact CG-ND1 3.85Å; H282-H324 AromaticContact ND1-CE1 3.54Å; H282-H324 AromaticContact ND1-CG 3.93Å; H282-H324 AromaticContact ND1-ND1 3.16Å; H282-H324 PolarHBondContact ND1-ND1 3.2Å; H282-H324 VanDerWaalsContact ND1-ND1 3.16Å; H282-H324 AromaticContact NE2-CE1 3.28Å; H282-H324 PolarHBondContact NE2-CE1 3.03Å; H282-H324 VanDerWaalsContact NE2-CE1 3.28Å; H282-H324 AromaticContact NE2-ND1 3.75Å; H282-H324 AromaticContact NE2-NE2 3.93Å
283A88.7Confident77.7Confident1 Ų150.7 Ų50.71%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-121.6129.8175.600000109.7S258 F281 P318 H324S258-A283 WeakPolarHBondContact O-CA 3.29Å; F281-A283 HydrophobicContact CE1-CB 3.75Å; F281-A283 HydrophobicContact CZ-CB 3.95Å; A283-P318 HydrophobicContact CB-CG 3.9Å; A283-H324 PolarHBondContact O-CE1 2.93Å; A283-H324 VanDerWaalsContact O-CE1 3.28Å
284Y88.5Confident76.1Confident25 Ų2552.6 Ų52.610%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-129.6131.5-179.9176-93.8000109.7S120 I121 S258 Y259 C260 I286 G316S120-Y284 WeakPolarHBondContact O-CD2 3.49Å; I121-Y284 HydrophobicContact CB-CD2 4.49Å; I121-Y284 HydrophobicContact CB-CG 4.44Å; I121-Y284 HydrophobicContact CG1-CD1 4.49Å; I121-Y284 HydrophobicContact CG1-CD2 4.26Å; I121-Y284 HydrophobicContact CG1-CE1 4.19Å; I121-Y284 HydrophobicContact CG1-CE2 3.94Å; I121-Y284 HydrophobicContact CG2-CD1 3.99Å; I121-Y284 HydrophobicContact CG2-CE1 4.32Å; I121-Y284 HydrophobicContact CG2-CG 4.21Å; S258-Y284 PolarHBondContact O-N 3.45Å; Y259-Y284 AromaticContact CD2-CD1 3.89Å; Y259-Y284 HydrophobicContact CD2-CD1 3.89Å; Y259-Y284 HydrophobicContact CD2-CE1 4.49Å; Y259-Y284 AromaticContact CE2-CD1 3.84Å; Y259-Y284 HydrophobicContact CE2-CD1 3.84Å; Y259-Y284 AromaticContact CE2-CE1 3.97Å; Y259-Y284 HydrophobicContact CE2-CE1 3.97Å; C260-Y284 PolarHBondContact N-O 2.99Å; Y284-I286 HydrophobicContact CE1-CG1 4.35Å; Y284-G316 CarbonylContact C-O 3.55Å; Y284-G316 WeakPolarHBondContact CA-O 3.36Å
285C84.9Confident74.4Confident6 Ų656.6 Ų56.64%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-141.2148.3174.9-170.80000109.6N287 G315 G316 P318C285-N287 PolarHBondContact O-N 2.86Å; C285-G315 CarbonylContact O-C 3.54Å; C285-G315 WeakPolarHBondContact O-CA 3.38Å; C285-G316 PolarHBondContact N-O 3.28Å; C285-G316 PolarHBondContact O-N 3.36Å; C285-G316 VanDerWaalsContact O-O 3.11Å; C285-P318 HydrophobicContact CB-CB 4.36Å; C285-P318 HydrophobicContact CB-CG 3.99Å
286I79.4Confident73.4Confident44 Ų4453.7 Ų53.723%0.22629%0.294CS..EExtended strand (participates in β ladder)trans-76.4112.1175.6-61.4165.2000107.6Y284 E313Y284-I286 HydrophobicContact CE1-CG1 4.35Å; I286-E313 HydrophobicContact CG2-CB 4.01Å
287N68.5Low71.9Confident43 Ų4354 Ų5423%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-97.9-35.8-167.2-86-35000113.5C285 Y314 P317C285-N287 PolarHBondContact O-N 2.86Å; N287-Y314 PolarHBondContact N-O 2.91Å; N287-P317 PolarHBondContact ND2-O 3.14Å
288T62.8Low70.7Confident72 Ų7259.2 Ų59.244%0.44233%0.327SS..EExtended strand (participates in β ladder)trans-147.6141.5-17850.40000112.4Y314T288-Y314 PolarHBondContact N-O 3.22Å; T288-Y314 VanDerWaalsContact N-O 3.17Å; T288-Y314 PolarHBondContact O-N 3.01Å
289H63.1Low69.9Low109 Ų10958.8 Ų58.851%0.50531%0.31SS..EExtended strand (participates in β ladder)trans-102.9115.1167-48-92.6000108.5E313H289-E313 IonicContact CE1-OE1 3.07Å; H289-E313 PolarHBondContact CE1-OE1 3.02Å; H289-E313 VanDerWaalsContact ND1-CD 3.32Å; H289-E313 IonicContact ND1-OE1 2.76Å; H289-E313 PolarHBondContact ND1-OE1 3.41Å
290I52.1Low69Low82 Ų8263.3 Ų63.342%0.42133%0.334SS..EExtended strand (participates in β ladder)trans-103.5121.6178.1-57.6-175.7000108.6S292 V312 Y314I290-S292 PolarHBondContact O-N 3.19Å; I290-S292 VanDerWaalsContact O-N 3.11Å; I290-V312 PolarHBondContact N-O 2.99Å; I290-V312 PolarHBondContact O-N 2.99Å; I290-Y314 HydrophobicContact CB-CD2 4.38Å; I290-Y314 HydrophobicContact CB-CE2 4.45Å; I290-Y314 HydrophobicContact CD1-CD2 3.7Å; I290-Y314 HydrophobicContact CD1-CE2 3.85Å; I290-Y314 HydrophobicContact CD1-CG 4.43Å; I290-Y314 HydrophobicContact CG1-CD2 4.02Å; I290-Y314 HydrophobicContact CG1-CE2 4.39Å
291P52.3Low67.9Low58 Ų5869 Ų6938%0.37736%0.363SS..EExtended strand (participates in β ladder)trans-67.5110.6171.627-31.7000109.8Y293 V309P291-Y293 HydrophobicContact CB-CE2 4.25Å; P291-Y293 HydrophobicContact CG-CE2 4.36Å; P291-Y293 WeakPolarHBondContact O-CE2 3.44Å; P291-V309 HydrophobicContact CB-CG1 3.53Å
292S46.4Very low67Low41 Ų4172.5 Ų72.529%0.28738%0.38SS..EExtended strand (participates in β ladder)trans-85.5139.6165.973.60000109.7I290 V309 N310 V312I290-S292 PolarHBondContact O-N 3.19Å; I290-S292 VanDerWaalsContact O-N 3.11Å; S292-V309 CarbonylContact O-C 3.31Å; S292-V309 WeakPolarHBondContact O-CA 3.43Å; S292-N310 PolarHBondContact N-O 3.35Å; S292-N310 PolarHBondContact O-N 2.88Å; S292-N310 PolarHBondContact OG-O 3.06Å; S292-V312 WeakPolarHBondContact OG-CG2 3.5Å
293Y66.8Low65.2Low160 Ų16079.4 Ų79.463%0.62741%0.41SS*.EExtended strand (participates in β ladder)trans-108.2104.1-179.2-62.1-90.3000108.4P291 I307 H308 V309P291-Y293 HydrophobicContact CB-CE2 4.25Å; P291-Y293 HydrophobicContact CG-CE2 4.36Å; P291-Y293 WeakPolarHBondContact O-CE2 3.44Å; Y293-I307 HydrophobicContact CD1-CG2 3.82Å; Y293-I307 HydrophobicContact CG-CG2 4.3Å; Y293-H308 WeakPolarHBondContact CA-O 3.44Å; Y293-V309 HydrophobicContact CD1-CG1 4.45Å; Y293-V309 HydrophobicContact CD1-CG2 3.79Å; Y293-V309 HydrophobicContact CE1-CB 4.49Å; Y293-V309 HydrophobicContact CE1-CG1 4.08Å; Y293-V309 HydrophobicContact CE1-CG2 3.68Å
294S55.4Low63.5Low40 Ų4084.3 Ų84.328%0.2843%0.433SS..EExtended strand (participates in β ladder)trans-106.1127.3175.257.50000109.9H308 N310S294-H308 PolarHBondContact N-O 2.94Å; S294-H308 PolarHBondContact O-N 2.92Å; S294-N310 PolarHBondContact OG-ND2 3.36Å
295P52.5Low62Low88 Ų8887.8 Ų87.857%0.57145%0.45SS*.EExtended strand (participates in β ladder)trans-65.5140.1173.628.6-33.7000110.3Q305P295-Q305 HydrophobicContact CB-CG 4.25Å
296S66.6Low60.9Low20 Ų2092.7 Ų92.714%0.1447%0.471CS..PPolyproline II helixtrans-61.3164.7166.6730000110.1Q305 K306S296-Q305 WeakPolarHBondContact O-CG 3.48Å; S296-Q305 PolarHBondContact O-NE2 2.98Å; S296-K306 VanDerWaalsContact CB-O 3.27Å; S296-K306 WeakPolarHBondContact CB-O 3.41Å; S296-K306 PolarHBondContact N-O 3.22Å; S296-K306 PolarHBondContact OG-N 3.24Å; S296-K306 PolarHBondContact OG-O 2.79Å
297C55.2Low60.2Low113 Ų11396.2 Ų96.276%0.76449%0.489SS*.PPolyproline II helixtrans-54.8151.3157.656.70000109.9D299C297-D299 PolarHBondContact O-N 3.21Å
298W63.9Low59.8Low141 Ų14199 Ų9953%0.53450%0.5SS..PPolyproline II helixtrans-66.4121.4177.4-171.3-84.7000109.7V300 Q305W298-V300 PolarHBondContact O-N 3.38Å; W298-Q305 HydrophobicContact CE3-CB 3.85Å; W298-Q305 HydrophobicContact CE3-CG 4.4Å; W298-Q305 HydrophobicContact CZ3-CB 4.01Å
299D66.5Low59.8Low53 Ų5399.5 Ų99.528%0.28350%0.503SS..BIsolated β-bridgetrans-78.9105.3175.5-169.2-30.6000108.7C297 E301 Q302 F303 Q304C297-D299 PolarHBondContact O-N 3.21Å; D299-E301 VanDerWaalsContact C-N 3.27Å; D299-E301 PolarHBondContact O-N 3.11Å; D299-E301 PolarHBondContact OD1-N 3.45Å; D299-Q302 HydrophobicContact CB-CB 4.48Å; D299-Q302 PolarHBondContact OD1-N 3.5Å; D299-Q302 VanDerWaalsContact OD1-N 3.08Å; D299-F303 PolarHBondContact O-N 2.94Å; D299-Q304 VanDerWaalsContact CB-O 3.26Å; D299-Q304 WeakPolarHBondContact CB-O 3.44Å; D299-Q304 PolarHBondContact N-O 2.76Å; D299-Q304 VanDerWaalsContact N-O 3.11Å
300V66.8Low59.4Low113 Ų11398.2 Ų98.269%0.68550%0.5SS*.THydrogen-bonded Turntrans-69.9-25.5-176.9-174.30000111.5W298W298-V300 PolarHBondContact O-N 3.38Å
301E66.8Low59.6Low182 Ų182102 Ų10285%0.8551%0.513SS*.THydrogen-bonded Turntrans-83-37.8-179.7-62.2-171.9163.800111.7D299D299-E301 VanDerWaalsContact C-N 3.27Å; D299-E301 PolarHBondContact O-N 3.11Å; D299-E301 PolarHBondContact OD1-N 3.45Å
302Q70.6Confident59.8Low113 Ų113102 Ų10253%0.52851%0.512SS..THydrogen-bonded Turntrans-98.1-4.2-177.7-58.5-152.2-11.700115.2D299 Q304D299-Q302 HydrophobicContact CB-CB 4.48Å; D299-Q302 PolarHBondContact OD1-N 3.5Å; D299-Q302 VanDerWaalsContact OD1-N 3.08Å; Q302-Q304 WeakPolarHBondContact O-CG 3.35Å; Q302-Q304 PolarHBondContact O-N 3.01Å
303F51.6Low60.6Low163 Ų163104.3 Ų104.372%0.71552%0.518SS*.THydrogen-bonded Turntrans52.635.6-174.5-82.4-92.9000113.1D299D299-F303 PolarHBondContact O-N 2.94Å
304Q53.9Low60.4Low105 Ų105103.2 Ų103.249%0.49151%0.514SS..BIsolated β-bridgetrans-132.3146.5-177.3-74-179.512.800111.4D299 Q302D299-Q304 VanDerWaalsContact CB-O 3.26Å; D299-Q304 WeakPolarHBondContact CB-O 3.44Å; D299-Q304 PolarHBondContact N-O 2.76Å; D299-Q304 VanDerWaalsContact N-O 3.11Å; Q302-Q304 WeakPolarHBondContact O-CG 3.35Å; Q302-Q304 PolarHBondContact O-N 3.01Å
305Q56.9Low60.9Low97 Ų97102.8 Ų102.845%0.45352%0.515SS..  trans-117120.4169.3-166.8168.532.800108.2P295 S296 W298P295-Q305 HydrophobicContact CB-CG 4.25Å; S296-Q305 WeakPolarHBondContact O-CG 3.48Å; S296-Q305 PolarHBondContact O-NE2 2.98Å; W298-Q305 HydrophobicContact CE3-CB 3.85Å; W298-Q305 HydrophobicContact CE3-CG 4.4Å; W298-Q305 HydrophobicContact CZ3-CB 4.01Å
306K61.4Low62.2Low110 Ų11099.1 Ų99.148%0.47849%0.494SS..PPolyproline II helixtrans-92.6143.2-179.2-72.3168-177.9154.90108.8S296S296-K306 VanDerWaalsContact CB-O 3.27Å; S296-K306 WeakPolarHBondContact CB-O 3.41Å; S296-K306 PolarHBondContact N-O 3.22Å; S296-K306 PolarHBondContact OG-N 3.24Å; S296-K306 PolarHBondContact OG-O 2.79Å
307I64.8Low62.9Low118 Ų11899 Ų9961%0.60549%0.492SS*.EExtended strand (participates in β ladder)trans-93.4116.5175.1-58.6176.6000107.6Y293Y293-I307 HydrophobicContact CD1-CG2 3.82Å; Y293-I307 HydrophobicContact CG-CG2 4.3Å
308H60Low64.3Low101 Ų10193.7 Ų93.747%0.46846%0.457SS..EExtended strand (participates in β ladder)trans-81.8132.1169.9-71.3-84.7000109.6Y293 S294Y293-H308 WeakPolarHBondContact CA-O 3.44Å; S294-H308 PolarHBondContact N-O 2.94Å; S294-H308 PolarHBondContact O-N 2.92Å
309V62.6Low64.9Low82 Ų8294.4 Ų94.450%0.49746%0.464SS..EExtended strand (participates in β ladder)trans-101.695.7175.9-170.80000108.3P291 S292 Y293P291-V309 HydrophobicContact CB-CG1 3.53Å; S292-V309 CarbonylContact O-C 3.31Å; S292-V309 WeakPolarHBondContact O-CA 3.43Å; Y293-V309 HydrophobicContact CD1-CG1 4.45Å; Y293-V309 HydrophobicContact CD1-CG2 3.79Å; Y293-V309 HydrophobicContact CE1-CB 4.49Å; Y293-V309 HydrophobicContact CE1-CG1 4.08Å; Y293-V309 HydrophobicContact CE1-CG2 3.68Å
310N54.4Low65.2Low82 Ų8295.7 Ų95.744%0.43949%0.49SS..EExtended strand (participates in β ladder)trans-92.9119.5177.5-60.6-19.8000108.6S292 S294 V312S292-N310 PolarHBondContact N-O 3.35Å; S292-N310 PolarHBondContact O-N 2.88Å; S292-N310 PolarHBondContact OG-O 3.06Å; S294-N310 PolarHBondContact OG-ND2 3.36Å; N310-V312 PolarHBondContact O-N 3.26Å
311K56Low65.8Low162 Ų16293.4 Ų93.470%0.70447%0.469SS*.EExtended strand (participates in β ladder)trans-67.1118.3170.9-68.9-179.3-179.1178.10108.6
312V56.1Low66.3Low59 Ų5987 Ų8736%0.35845%0.452SS..EExtended strand (participates in β ladder)trans-99.8123.1171178.60000107.7I290 S292 N310 Y314I290-V312 PolarHBondContact N-O 2.99Å; I290-V312 PolarHBondContact O-N 2.99Å; S292-V312 WeakPolarHBondContact OG-CG2 3.5Å; N310-V312 PolarHBondContact O-N 3.26Å; V312-Y314 HydrophobicContact CB-CE2 4.32Å; V312-Y314 HydrophobicContact CG1-CD2 4.03Å; V312-Y314 HydrophobicContact CG1-CE2 3.62Å
313E64Low66.7Low89 Ų8986.3 Ų86.342%0.41645%0.448SS..EExtended strand (participates in β ladder)trans-92.1122.2-177.6-47.1-153.9146.400109.5I286 H289I286-E313 HydrophobicContact CG2-CB 4.01Å; H289-E313 IonicContact CE1-OE1 3.07Å; H289-E313 PolarHBondContact CE1-OE1 3.02Å; H289-E313 VanDerWaalsContact ND1-CD 3.32Å; H289-E313 IonicContact ND1-OE1 2.76Å; H289-E313 PolarHBondContact ND1-OE1 3.41Å
314Y61.8Low68.1Low137 Ų13779.9 Ų79.954%0.53742%0.42SS..EExtended strand (participates in β ladder)trans-104106.5175.4-82.4-95.1000108.8N287 T288 I290 V312N287-Y314 PolarHBondContact N-O 2.91Å; T288-Y314 PolarHBondContact N-O 3.22Å; T288-Y314 VanDerWaalsContact N-O 3.17Å; T288-Y314 PolarHBondContact O-N 3.01Å; I290-Y314 HydrophobicContact CB-CD2 4.38Å; I290-Y314 HydrophobicContact CB-CE2 4.45Å; I290-Y314 HydrophobicContact CD1-CD2 3.7Å; I290-Y314 HydrophobicContact CD1-CE2 3.85Å; I290-Y314 HydrophobicContact CD1-CG 4.43Å; I290-Y314 HydrophobicContact CG1-CD2 4.02Å; I290-Y314 HydrophobicContact CG1-CE2 4.39Å; V312-Y314 HydrophobicContact CB-CE2 4.32Å; V312-Y314 HydrophobicContact CG1-CD2 4.03Å; V312-Y314 HydrophobicContact CG1-CE2 3.62Å
315G67.3Low69.4Low30 Ų3080.1 Ų80.131%0.30942%0.422SS..EExtended strand (participates in β ladder)trans-90.6164.2169.500000113.5C285C285-G315 CarbonylContact O-C 3.54Å; C285-G315 WeakPolarHBondContact O-CA 3.38Å
316G78.8Confident70.8Confident12 Ų1277 Ų7712%0.12441%0.408CS..EExtended strand (participates in β ladder)trans-176.2-162179.300000110.4Y284 C285Y284-G316 CarbonylContact C-O 3.55Å; Y284-G316 WeakPolarHBondContact CA-O 3.36Å; C285-G316 PolarHBondContact N-O 3.28Å; C285-G316 PolarHBondContact O-N 3.36Å; C285-G316 VanDerWaalsContact O-O 3.11Å
317P82.7Confident72Confident16 Ų1672.2 Ų72.210%0.10439%0.388CS..SBendtrans-63146.517428.2-35.9000111.2N287N287-P317 PolarHBondContact ND2-O 3.14Å
318P82.7Confident73.2Confident3 Ų369 Ų692%0.01937%0.374CS..  trans-51.3148.7172.5-29.636.7000113.5M264 I267 A283 C285 G320 W321M264-P318 HydrophobicContact CE-CB 3.75Å; I267-P318 HydrophobicContact CD1-CB 3.93Å; I267-P318 HydrophobicContact CD1-CG 3.78Å; A283-P318 HydrophobicContact CB-CG 3.9Å; C285-P318 HydrophobicContact CB-CB 4.36Å; C285-P318 HydrophobicContact CB-CG 3.99Å; P318-G320 PolarHBondContact O-N 3.2Å; P318-G320 VanDerWaalsContact O-N 3.12Å; P318-W321 HydrophobicContact CB-CB 4.25Å; P318-W321 WeakPolarHBondContact O-CB 3.38Å; P318-W321 PolarHBondContact O-N 3.1Å
319K77.1Confident74.6Confident155 Ų15566 Ų6667%0.67436%0.362SS*.THydrogen-bonded Turntrans-61.4115.4-179.1-68.9169.9-172.8152.20110.9M264M264-K319 WeakPolarHBondContact CE-O 3.34Å
320G73.6Confident76Confident81 Ų8162.1 Ų62.184%0.83534%0.338SS*.THydrogen-bonded Turntrans101.6-14.4-176.700000114P318P318-G320 PolarHBondContact O-N 3.2Å; P318-G320 VanDerWaalsContact O-N 3.12Å
321W79.8Confident77.7Confident65 Ų6563.2 Ų63.225%0.24634%0.339CS..SBendtrans-83.2153.7172.8-161.6-108000112.2M264 I267 D268 H271 F281 P318M264-W321 HydrophobicContact SD-CE3 4.41Å; I267-W321 HydrophobicContact CG2-CD2 3.54Å; I267-W321 HydrophobicContact CG2-CE3 3.42Å; I267-W321 VanDerWaalsContact CG2-CE3 3.42Å; I267-W321 HydrophobicContact CG2-CG 4.26Å; I267-W321 HydrophobicContact CG2-CH2 3.81Å; I267-W321 HydrophobicContact CG2-CZ2 3.93Å; I267-W321 HydrophobicContact CG2-CZ3 3.56Å; D268-W321 WeakPolarHBondContact OD1-CZ3 3.44Å; H271-W321 HydrophobicContact CB-CH2 3.88Å; H271-W321 HydrophobicContact CB-CZ2 3.96Å; H271-W321 AromaticContact CD2-CZ2 3.94Å; H271-W321 AromaticContact CG-CH2 3.96Å; H271-W321 AromaticContact CG-CZ2 3.93Å; F281-W321 AromaticContact CD1-CZ2 3.82Å; F281-W321 HydrophobicContact CD1-CZ2 3.82Å; F281-W321 AromaticContact CD1-NE1 3.98Å; F281-W321 AromaticContact CE1-CE2 3.77Å; F281-W321 AromaticContact CE1-CZ2 3.69Å; F281-W321 HydrophobicContact CE1-CZ2 3.69Å; F281-W321 AromaticContact CE1-NE1 3.74Å; P318-W321 HydrophobicContact CB-CB 4.25Å; P318-W321 WeakPolarHBondContact O-CB 3.38Å; P318-W321 PolarHBondContact O-N 3.1Å
322G76.7Confident79.4Confident47 Ų4761.2 Ų61.249%0.48533%0.332SS..PPolyproline II helixtrans-68.7153.5176.200000113.1
323Q79.2Confident81.1Confident98 Ų9859.9 Ų59.946%0.45832%0.322SS..PPolyproline II helixtrans-65.9148171.1-168.765.241.700110.6E325 C327 V328Q323-E325 PolarHBondContact O-N 3.22Å; Q323-C327 HydrophobicContact CG-CB 4.26Å; Q323-V328 HydrophobicContact CB-CG2 3.88Å; Q323-V328 HydrophobicContact CG-CG2 4.33Å
324H80.4Confident82.4Confident28 Ų2856.3 Ų56.313%0.1331%0.306CS..PPolyproline II helixtrans-49.4132179.6-48.2-69.7000112.7H282 A283 D326 C327 V328H282-H324 AromaticContact CD2-CE1 3.87Å; H282-H324 AromaticContact CE1-CE1 3.08Å; H282-H324 PolarHBondContact CE1-CE1 2.91Å; H282-H324 AromaticContact CE1-CG 3.76Å; H282-H324 AromaticContact CE1-ND1 3.14Å; H282-H324 PolarHBondContact CE1-ND1 3.16Å; H282-H324 AromaticContact CE1-NE2 3.67Å; H282-H324 AromaticContact CG-ND1 3.85Å; H282-H324 AromaticContact ND1-CE1 3.54Å; H282-H324 AromaticContact ND1-CG 3.93Å; H282-H324 AromaticContact ND1-ND1 3.16Å; H282-H324 PolarHBondContact ND1-ND1 3.2Å; H282-H324 VanDerWaalsContact ND1-ND1 3.16Å; H282-H324 AromaticContact NE2-CE1 3.28Å; H282-H324 PolarHBondContact NE2-CE1 3.03Å; H282-H324 VanDerWaalsContact NE2-CE1 3.28Å; H282-H324 AromaticContact NE2-ND1 3.75Å; H282-H324 AromaticContact NE2-NE2 3.93Å; A283-H324 PolarHBondContact O-CE1 2.93Å; A283-H324 VanDerWaalsContact O-CE1 3.28Å; H324-D326 VanDerWaalsContact C-N 3.31Å; H324-D326 PolarHBondContact O-N 2.71Å; H324-C327 HydrophobicContact CB-CB 4.34Å; H324-C327 WeakPolarHBondContact O-CA 3.38Å; H324-C327 WeakPolarHBondContact O-CB 3.15Å; H324-C327 PolarHBondContact O-N 3.16Å; H324-V328 PolarHBondContact O-N 3.15Å
325E82Confident83.9Confident110 Ų11053 Ų5351%0.51430%0.295SS..Hα-helixtrans-54.7-44.6-175.6-163.9-159.615300112.6R25 Q323 C327 V328 L329R25-E325 IonicContact CZ-OE1 2.68Å; R25-E325 IonicContact NE-OE1 2.65Å; R25-E325 PolarHBondContact NE-OE1 3.45Å; R25-E325 IonicContact NH2-OE1 2.66Å; R25-E325 PolarHBondContact NH2-OE1 3.11Å; R25-E325 IonicContact NH2-OE2 3.59Å; Q323-E325 PolarHBondContact O-N 3.22Å; E325-C327 VanDerWaalsContact C-N 3.26Å; E325-C327 PolarHBondContact O-N 2.91Å; E325-V328 PolarHBondContact O-N 3.24Å; E325-V328 VanDerWaalsContact O-N 3.14Å; E325-L329 HydrophobicContact CG-CD1 4.28Å; E325-L329 HydrophobicContact CG-CG 4.5Å; E325-L329 WeakPolarHBondContact O-CG 3.36Å; E325-L329 PolarHBondContact O-N 2.96Å
326D86.3Confident84.9Confident32 Ų3252.6 Ų52.617%0.17129%0.285CS..Hα-helixtrans-58.2-36.9176.3-88.6-46.1000112.3S24 L114 H324 I330S24-D326 WeakPolarHBondContact CB-OD1 3.09Å; S24-D326 PolarHBondContact N-OD1 3.33Å; S24-D326 VanDerWaalsContact N-OD1 3.1Å; S24-D326 WeakPolarHBondContact OG-CB 3.32Å; S24-D326 VanDerWaalsContact OG-CG 3.28Å; S24-D326 PolarHBondContact OG-O 2.99Å; S24-D326 PolarHBondContact OG-OD1 2.95Å; L114-D326 HydrophobicContact CD1-CB 4.42Å; L114-D326 HydrophobicContact CD2-CB 4.42Å; H324-D326 VanDerWaalsContact C-N 3.31Å; H324-D326 PolarHBondContact O-N 2.71Å; D326-I330 WeakPolarHBondContact O-CG1 3.32Å; D326-I330 PolarHBondContact O-N 3.45Å
327C87Confident85.6Confident9 Ų952 Ų526%0.06128%0.279CS..Hα-helixtrans-74.8-39.3175.2-65.10000112.1L111 Q323 H324 E325 I330 F331L111-C327 HydrophobicContact CD1-CB 3.92Å; Q323-C327 HydrophobicContact CG-CB 4.26Å; H324-C327 HydrophobicContact CB-CB 4.34Å; H324-C327 WeakPolarHBondContact O-CA 3.38Å; H324-C327 WeakPolarHBondContact O-CB 3.15Å; H324-C327 PolarHBondContact O-N 3.16Å; E325-C327 VanDerWaalsContact C-N 3.26Å; E325-C327 PolarHBondContact O-N 2.91Å; C327-I330 PolarHBondContact O-N 3.35Å; C327-F331 WeakPolarHBondContact O-CB 3.47Å; C327-F331 PolarHBondContact O-N 2.85Å
328V88.3Confident86Confident51 Ų5157.5 Ų57.531%0.30930%0.298SS..Hα-helixtrans-61.1-47177.11750000110.4Q323 H324 E325 I330 F331 E332Q323-V328 HydrophobicContact CB-CG2 3.88Å; Q323-V328 HydrophobicContact CG-CG2 4.33Å; H324-V328 PolarHBondContact O-N 3.15Å; E325-V328 PolarHBondContact O-N 3.24Å; E325-V328 VanDerWaalsContact O-N 3.14Å; V328-I330 PolarHBondContact O-N 3.19Å; V328-F331 PolarHBondContact O-N 3.33Å; V328-F331 VanDerWaalsContact O-N 3.15Å; V328-E332 HydrophobicContact CG1-CG 4.26Å; V328-E332 WeakPolarHBondContact O-CG 3.28Å; V328-E332 PolarHBondContact O-N 3.06Å
329L90.9Very high86.3Confident39 Ų3959 Ų5920%0.20431%0.309CS..Hα-helixtrans-60.1-42.5179.2-70169.5000113R25 L28 E325 E333R25-L329 HydrophobicContact CG-CD1 3.69Å; L28-L329 HydrophobicContact CD1-CB 4.23Å; E325-L329 HydrophobicContact CG-CD1 4.28Å; E325-L329 HydrophobicContact CG-CG 4.5Å; E325-L329 WeakPolarHBondContact O-CG 3.36Å; E325-L329 PolarHBondContact O-N 2.96Å; L329-E333 PolarHBondContact O-N 3.13Å
330I91Very high86.9Confident0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-70.7-36.9176-62.5-63.7000111W27 L28 R110 L111 L114 D326 C327 V328 L334W27-I330 HydrophobicContact CE3-CD1 3.75Å; W27-I330 HydrophobicContact CZ3-CD1 3.93Å; L28-I330 HydrophobicContact CD1-CD1 4.1Å; L28-I330 HydrophobicContact CD2-CD1 3.95Å; L28-I330 HydrophobicContact CG-CD1 3.81Å; R110-I330 HydrophobicContact CB-CG2 4.49Å; R110-I330 HydrophobicContact CG-CD1 4.05Å; R110-I330 HydrophobicContact CG-CG1 4.27Å; R110-I330 HydrophobicContact CG-CG2 4.48Å; L111-I330 HydrophobicContact CB-CG2 4.18Å; L114-I330 HydrophobicContact CD1-CB 4.43Å; L114-I330 HydrophobicContact CD1-CG1 3.84Å; D326-I330 WeakPolarHBondContact O-CG1 3.32Å; D326-I330 PolarHBondContact O-N 3.45Å; C327-I330 PolarHBondContact O-N 3.35Å; V328-I330 PolarHBondContact O-N 3.19Å; I330-L334 VanDerWaalsContact O-CB 3.24Å; I330-L334 WeakPolarHBondContact O-CB 3.37Å; I330-L334 PolarHBondContact O-N 3.37Å
331F91Very high87.8Confident104 Ų10449.1 Ų49.146%0.45624%0.244SC..Hα-helixtrans-68.2-40.1178.1-176-98.7000112.6L111 C327 V328 L334 E335L111-F331 HydrophobicContact CD2-CD2 4.35Å; C327-F331 WeakPolarHBondContact O-CB 3.47Å; C327-F331 PolarHBondContact O-N 2.85Å; V328-F331 PolarHBondContact O-N 3.33Å; V328-F331 VanDerWaalsContact O-N 3.15Å; F331-L334 HydrophobicContact CD2-CD2 4.44Å; F331-L334 WeakPolarHBondContact O-CB 3.45Å; F331-L334 PolarHBondContact O-N 3.05Å; F331-E335 HydrophobicContact CD1-CG 4.07Å; F331-E335 HydrophobicContact CE1-CG 3.57Å; F331-E335 HydrophobicContact CE2-CG 4.08Å; F331-E335 HydrophobicContact CZ-CG 3.58Å; F331-E335 WeakPolarHBondContact O-CG 3.47Å; F331-E335 PolarHBondContact O-N 3.48Å
332E91.2Very high88.3Confident121 Ų12151 Ų5157%0.56526%0.255SS*.Hα-helixtrans-60.9-45.1174.6-75.2-177.2163.400111.9V328 L334 E335 E336V328-E332 HydrophobicContact CG1-CG 4.26Å; V328-E332 WeakPolarHBondContact O-CG 3.28Å; V328-E332 PolarHBondContact O-N 3.06Å; E332-L334 VanDerWaalsContact C-N 3.34Å; E332-E335 PolarHBondContact O-N 3.43Å; E332-E336 PolarHBondContact O-N 2.93Å
333E91.4Very high88.8Confident30 Ų3051.1 Ų51.114%0.1424%0.241CC..Hα-helixtrans-70-32.5177.8-159.885.8164.400111.5L28 L33 Y107 L329 A337L28-E333 HydrophobicContact CD2-CB 3.97Å; L28-E333 HydrophobicContact CD2-CG 3.83Å; L33-E333 WeakPolarHBondContact CB-OE1 3.28Å; L33-E333 HydrophobicContact CD1-CG 4.08Å; L33-E333 HydrophobicContact CG-CG 3.95Å; L33-E333 PolarHBondContact N-OE1 3.15Å; Y107-E333 HydrophobicContact CE2-CB 4.37Å; Y107-E333 HydrophobicContact CE2-CG 3.82Å; L329-E333 PolarHBondContact O-N 3.13Å; E333-A337 WeakPolarHBondContact O-CB 3.45Å; E333-A337 PolarHBondContact O-N 3.28Å
334L92.3Very high89.3Confident15 Ų1546.5 Ų46.58%0.07922%0.219CC..Hα-helixtrans-64.9-46.4171.3173.663.8000112.3V104 Y107 L111 I330 F331 E332 A337 R338V104-L334 HydrophobicContact CB-CD1 4.36Å; V104-L334 HydrophobicContact CG1-CD1 3.91Å; V104-L334 HydrophobicContact CG2-CD1 4.5Å; Y107-L334 HydrophobicContact CD2-CB 4.34Å; L111-L334 HydrophobicContact CD2-CD2 4.33Å; I330-L334 VanDerWaalsContact O-CB 3.24Å; I330-L334 WeakPolarHBondContact O-CB 3.37Å; I330-L334 PolarHBondContact O-N 3.37Å; F331-L334 HydrophobicContact CD2-CD2 4.44Å; F331-L334 WeakPolarHBondContact O-CB 3.45Å; F331-L334 PolarHBondContact O-N 3.05Å; E332-L334 VanDerWaalsContact C-N 3.34Å; L334-A337 WeakPolarHBondContact O-CB 3.15Å; L334-A337 PolarHBondContact O-N 2.95Å; L334-R338 HydrophobicContact CD1-CG 4.15Å; L334-R338 WeakPolarHBondContact O-CB 3.1Å; L334-R338 VanDerWaalsContact O-CG 3.32Å; L334-R338 WeakPolarHBondContact O-CG 3.36Å; L334-R338 PolarHBondContact O-N 3.09Å
335E91.5Very high89.8Confident67 Ų6749 Ų4931%0.31323%0.231SC..Hα-helixtrans-68.4-35.1176.8-70.5-54.9112.600111.7F331 E332 A337 R338 S339F331-E335 HydrophobicContact CD1-CG 4.07Å; F331-E335 HydrophobicContact CE1-CG 3.57Å; F331-E335 HydrophobicContact CE2-CG 4.08Å; F331-E335 HydrophobicContact CZ-CG 3.58Å; F331-E335 WeakPolarHBondContact O-CG 3.47Å; F331-E335 PolarHBondContact O-N 3.48Å; E332-E335 PolarHBondContact O-N 3.43Å; E335-A337 VanDerWaalsContact C-N 3.34Å; E335-R338 PolarHBondContact O-N 3.27Å; E335-R338 WeakPolarHBondContact OE1-CD 3.47Å; E335-R338 IonicContact OE1-CZ 3.76Å; E335-R338 IonicContact OE1-NE 3.58Å; E335-R338 IonicContact OE1-NH1 2.86Å; E335-R338 PolarHBondContact OE1-NH1 3.21Å; E335-R338 IonicContact OE2-NH1 2.66Å; E335-S339 WeakPolarHBondContact O-CB 3.24Å; E335-S339 PolarHBondContact O-N 3.36Å
336E89.5Confident90Very high21 Ų2147.5 Ų47.510%0.09822%0.224CC..Hα-helixtrans-62.4-41.8170-179.1152.8-17200111.5L33 R40 R79 E332 L340L33-E336 HydrophobicContact CD1-CB 4.01Å; L33-E336 HydrophobicContact CD1-CG 3.76Å; R40-E336 VanDerWaalsContact NH1-CD 3.27Å; R40-E336 IonicContact NH1-OE1 3.78Å; R40-E336 PolarHBondContact NH1-OE1 3.36Å; R40-E336 IonicContact NH1-OE2 2.96Å; R79-E336 IonicContact CZ-OE1 3.68Å; R79-E336 IonicContact CZ-OE2 3.67Å; R79-E336 IonicContact NH1-OE1 2.77Å; R79-E336 PolarHBondContact NH1-OE1 2.94Å; R79-E336 IonicContact NH1-OE2 3.5Å; R79-E336 PolarHBondContact NH1-OE2 3.27Å; R79-E336 IonicContact NH2-OE2 3.43Å; R79-E336 PolarHBondContact NH2-OE2 2.95Å; E332-E336 PolarHBondContact O-N 2.93Å; E336-L340 VanDerWaalsContact O-CB 3.28Å; E336-L340 WeakPolarHBondContact O-CB 3.29Å; E336-L340 PolarHBondContact O-N 3.49Å
337A92.3Very high90Very high0 Ų046.1 Ų46.10%022%0.217CC..Hα-helixtrans-65.6-43.917600000112.7L33 I100 V104 Y107 E333 L334 E335 L340 L341L33-A337 HydrophobicContact CD1-CB 4.15Å; L33-A337 HydrophobicContact CD2-CB 4.09Å; I100-A337 HydrophobicContact CG2-CB 4.49Å; I100-A337 VanDerWaalsContact CG2-O 3.29Å; I100-A337 WeakPolarHBondContact CG2-O 3.36Å; V104-A337 HydrophobicContact CG2-CB 3.65Å; Y107-A337 HydrophobicContact CD2-CB 4.25Å; Y107-A337 HydrophobicContact CE2-CB 4.05Å; E333-A337 WeakPolarHBondContact O-CB 3.45Å; E333-A337 PolarHBondContact O-N 3.28Å; L334-A337 WeakPolarHBondContact O-CB 3.15Å; L334-A337 PolarHBondContact O-N 2.95Å; E335-A337 VanDerWaalsContact C-N 3.34Å; A337-L340 PolarHBondContact O-N 2.9Å; A337-L341 WeakPolarHBondContact O-CB 3.39Å; A337-L341 PolarHBondContact O-N 3.4Å
338R92.8Very high90Very high132 Ų13246.7 Ų46.750%0.49822%0.219SC..Hα-helixtrans-65.3-44.9177.5-71.8175.270.9-1581.6112.1V104 L334 E335 L340 L341 Q342V104-R338 HydrophobicContact CG1-CG 4.21Å; V104-R338 HydrophobicContact CG2-CG 4.13Å; L334-R338 HydrophobicContact CD1-CG 4.15Å; L334-R338 WeakPolarHBondContact O-CB 3.1Å; L334-R338 VanDerWaalsContact O-CG 3.32Å; L334-R338 WeakPolarHBondContact O-CG 3.36Å; L334-R338 PolarHBondContact O-N 3.09Å; E335-R338 PolarHBondContact O-N 3.27Å; E335-R338 WeakPolarHBondContact OE1-CD 3.47Å; E335-R338 IonicContact OE1-CZ 3.76Å; E335-R338 IonicContact OE1-NE 3.58Å; E335-R338 IonicContact OE1-NH1 2.86Å; E335-R338 PolarHBondContact OE1-NH1 3.21Å; E335-R338 IonicContact OE2-NH1 2.66Å; R338-L340 VanDerWaalsContact C-N 3.3Å; R338-L340 PolarHBondContact O-N 3.09Å; R338-L341 WeakPolarHBondContact O-CB 3.26Å; R338-L341 PolarHBondContact O-N 2.95Å; R338-Q342 PolarHBondContact O-N 3.08Å
339S89.3Confident89.9Confident35 Ų3549.1 Ų49.125%0.24523%0.227CC..Hα-helixtrans-58.5-42.7174.8175.50000111.7R40 E335 R343R40-S339 PolarHBondContact NH2-OG 2.89Å; E335-S339 WeakPolarHBondContact O-CB 3.24Å; E335-S339 PolarHBondContact O-N 3.36Å; S339-R343 PolarHBondContact O-N 3.43Å
340L88.7Confident89.5Confident3 Ų350.3 Ų50.32%0.01623%0.234CC..Hα-helixtrans-69.1-39.5176.6-172.962.8000112.2I38 R40 V43 I100 E336 A337 R338 R343 I344I38-L340 WeakPolarHBondContact O-CD2 3.49Å; R40-L340 HydrophobicContact CB-CD1 4.36Å; R40-L340 HydrophobicContact CG-CD1 4.28Å; V43-L340 HydrophobicContact CB-CD1 4.36Å; V43-L340 HydrophobicContact CB-CD2 4.47Å; V43-L340 HydrophobicContact CG1-CD1 4.04Å; V43-L340 HydrophobicContact CG2-CD2 4.07Å; I100-L340 HydrophobicContact CD1-CD2 4.11Å; I100-L340 HydrophobicContact CD1-CG 3.97Å; I100-L340 HydrophobicContact CG1-CD2 4.44Å; E336-L340 VanDerWaalsContact O-CB 3.28Å; E336-L340 WeakPolarHBondContact O-CB 3.29Å; E336-L340 PolarHBondContact O-N 3.49Å; A337-L340 PolarHBondContact O-N 2.9Å; R338-L340 VanDerWaalsContact C-N 3.3Å; R338-L340 PolarHBondContact O-N 3.09Å; L340-R343 PolarHBondContact O-N 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.43Å; L340-I344 PolarHBondContact O-N 3.46Å
341L92.2Very high89Confident25 Ų2552.2 Ų52.213%0.13124%0.243CC..Hα-helixtrans-59-52.2176.2-176.359.5000110.9K97 I100 A337 R338 R343 I344 E345K97-L341 HydrophobicContact CG-CD1 3.72Å; I100-L341 HydrophobicContact CB-CD1 4.21Å; I100-L341 HydrophobicContact CG2-CB 3.72Å; I100-L341 HydrophobicContact CG2-CD1 4.15Å; I100-L341 HydrophobicContact CG2-CG 4.43Å; A337-L341 WeakPolarHBondContact O-CB 3.39Å; A337-L341 PolarHBondContact O-N 3.4Å; R338-L341 WeakPolarHBondContact O-CB 3.26Å; R338-L341 PolarHBondContact O-N 2.95Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.3Å; L341-I344 PolarHBondContact O-N 2.79Å; L341-I344 VanDerWaalsContact O-N 3.12Å; L341-E345 WeakPolarHBondContact O-CG 3.3Å; L341-E345 PolarHBondContact O-N 3.37Å
342Q90.7Very high88.3Confident104 Ų10451.6 Ų51.649%0.48625%0.245SC..Hα-helixtrans-54.9-45.4177.2-177.5-172.1-25.800111R338 I344 E345 E346R338-Q342 PolarHBondContact O-N 3.08Å; Q342-I344 VanDerWaalsContact C-N 3.32Å; Q342-I344 PolarHBondContact O-N 3.41Å; Q342-E345 WeakPolarHBondContact O-CB 3.48Å; Q342-E345 PolarHBondContact O-N 3.41Å; Q342-E345 VanDerWaalsContact O-N 3.14Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.47Å; Q342-E346 PolarHBondContact NE2-OE1 3.27Å; Q342-E346 WeakPolarHBondContact O-CG 3.45Å; Q342-E346 PolarHBondContact O-N 3.08Å
343R87.8Confident87.2Confident50 Ų5053.6 Ų53.619%0.18925%0.247CC..Hα-helixtrans-67.1-31.8-178.9-149.261.652.7114.216.6113.2I75 D78 S339 L340 L341 E346 V347I75-R343 HydrophobicContact CD1-CB 4.23Å; I75-R343 HydrophobicContact CD1-CG 3.58Å; I75-R343 HydrophobicContact CG1-CG 3.72Å; D78-R343 IonicContact OD1-CZ 3.59Å; D78-R343 IonicContact OD1-NH1 3.11Å; D78-R343 PolarHBondContact OD1-NH1 3.14Å; D78-R343 IonicContact OD1-NH2 3.4Å; D78-R343 PolarHBondContact OD1-NH2 3.3Å; D78-R343 IonicContact OD2-CZ 3.95Å; D78-R343 IonicContact OD2-NH1 3.85Å; D78-R343 IonicContact OD2-NH2 2.7Å; D78-R343 PolarHBondContact OD2-NH2 2.85Å; S339-R343 PolarHBondContact O-N 3.43Å; L340-R343 PolarHBondContact O-N 3.24Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.3Å; R343-E346 VanDerWaalsContact CD-OE2 3.22Å; R343-E346 WeakPolarHBondContact CD-OE2 3.49Å; R343-E346 IonicContact NE-OE2 3.63Å; R343-V347 WeakPolarHBondContact O-CG2 3.49Å; R343-V347 PolarHBondContact O-N 2.72Å; R343-V347 VanDerWaalsContact O-N 3.16Å
344I89.9Confident85.8Confident0 Ų055.9 Ų55.90%026%0.26CS..Hα-helixtrans-73.5-33.2172.8-70.4-62.9000111.6V43 I47 I93 L96 K97 I100 L340 L341 Q342 L348V43-I344 HydrophobicContact CG1-CD1 4.05Å; I47-I344 HydrophobicContact CD1-CD1 3.99Å; I93-I344 HydrophobicContact CG2-CG2 3.8Å; L96-I344 HydrophobicContact CD2-CD1 3.93Å; L96-I344 HydrophobicContact CD2-CG1 4.4Å; K97-I344 HydrophobicContact CB-CG2 4.07Å; I100-I344 HydrophobicContact CD1-CG1 3.98Å; L340-I344 WeakPolarHBondContact O-CG1 3.43Å; L340-I344 PolarHBondContact O-N 3.46Å; L341-I344 PolarHBondContact O-N 2.79Å; L341-I344 VanDerWaalsContact O-N 3.12Å; Q342-I344 VanDerWaalsContact C-N 3.32Å; Q342-I344 PolarHBondContact O-N 3.41Å; I344-L348 HydrophobicContact CG2-CD1 4.37Å; I344-L348 WeakPolarHBondContact O-CG 3.47Å; I344-L348 PolarHBondContact O-N 2.93Å
345E90.1Very high83.7Confident81 Ų8159 Ų5938%0.37928%0.281SS..Hα-helixtrans-68.2-42.5172.5-70.2-177.2138.800112.3K97 L341 Q342 V347 L348 H349K97-E345 HydrophobicContact CD-CG 4.15Å; K97-E345 WeakPolarHBondContact CE-OE1 2.96Å; K97-E345 IonicContact NZ-OE1 3.55Å; K97-E345 PolarHBondContact NZ-OE1 2.92Å; L341-E345 WeakPolarHBondContact O-CG 3.3Å; L341-E345 PolarHBondContact O-N 3.37Å; Q342-E345 WeakPolarHBondContact O-CB 3.48Å; Q342-E345 PolarHBondContact O-N 3.41Å; Q342-E345 VanDerWaalsContact O-N 3.14Å; E345-V347 PolarHBondContact O-N 3.33Å; E345-L348 PolarHBondContact O-N 3.21Å; E345-H349 WeakPolarHBondContact O-CB 3.28Å; E345-H349 PolarHBondContact O-N 3.3Å
346E86.7Confident81.6Confident78 Ų7860.2 Ų60.236%0.36429%0.289SS..Hα-helixtrans-57.3-46.6172-73.1169.5-162.400111.3Q342 R343 L348 H349 D350Q342-E346 WeakPolarHBondContact CG-OE1 3.47Å; Q342-E346 PolarHBondContact NE2-OE1 3.27Å; Q342-E346 WeakPolarHBondContact O-CG 3.45Å; Q342-E346 PolarHBondContact O-N 3.08Å; R343-E346 VanDerWaalsContact CD-OE2 3.22Å; R343-E346 WeakPolarHBondContact CD-OE2 3.49Å; R343-E346 IonicContact NE-OE2 3.63Å; E346-L348 PolarHBondContact O-N 2.84Å; E346-H349 PolarHBondContact O-N 3.12Å; E346-D350 PolarHBondContact O-N 3.4Å
347V86.3Confident79.4Confident4 Ų467.8 Ų67.82%0.02433%0.325CS..Hα-helixtrans-62.4-38.7175.4167.60000112.4V73 I75 V86 I93 R343 E345 I351V73-V347 HydrophobicContact CG1-CB 4.45Å; V73-V347 HydrophobicContact CG1-CG1 4.17Å; V73-V347 HydrophobicContact CG1-CG2 4.28Å; I75-V347 HydrophobicContact CB-CG2 3.96Å; I75-V347 HydrophobicContact CD1-CG2 4.04Å; I75-V347 HydrophobicContact CG1-CG2 4.31Å; V86-V347 HydrophobicContact CG1-CG1 4.18Å; V86-V347 HydrophobicContact CG2-CG1 4.09Å; V86-V347 HydrophobicContact CG2-CG2 4.39Å; I93-V347 HydrophobicContact CD1-CG1 4.14Å; R343-V347 WeakPolarHBondContact O-CG2 3.49Å; R343-V347 PolarHBondContact O-N 2.72Å; R343-V347 VanDerWaalsContact O-N 3.16Å; E345-V347 PolarHBondContact O-N 3.33Å; V347-I351 HydrophobicContact CG1-CD1 3.91Å; V347-I351 WeakPolarHBondContact O-CB 3.42Å; V347-I351 WeakPolarHBondContact O-CD1 3.3Å; V347-I351 WeakPolarHBondContact O-CG1 3.29Å; V347-I351 PolarHBondContact O-N 3.35Å
348L87.1Confident77.1Confident21 Ų2173.3 Ų73.311%0.1136%0.358CS..Hα-helixtrans-66-38.9175.4-77.3168.2000111.9K90 I93 K94 K97 I344 E345 E346 D352K90-L348 HydrophobicContact CG-CD2 4.14Å; I93-L348 HydrophobicContact CB-CD2 3.95Å; I93-L348 HydrophobicContact CB-CG 4.49Å; I93-L348 HydrophobicContact CG2-CD1 4.17Å; I93-L348 HydrophobicContact CG2-CD2 3.64Å; I93-L348 HydrophobicContact CG2-CG 3.65Å; K94-L348 HydrophobicContact CG-CD2 4.2Å; K97-L348 HydrophobicContact CB-CD1 4.39Å; K97-L348 HydrophobicContact CD-CD1 4.01Å; I344-L348 HydrophobicContact CG2-CD1 4.37Å; I344-L348 WeakPolarHBondContact O-CG 3.47Å; I344-L348 PolarHBondContact O-N 2.93Å; E345-L348 PolarHBondContact O-N 3.21Å; E346-L348 PolarHBondContact O-N 2.84Å; L348-D352 WeakPolarHBondContact O-CB 3.32Å; L348-D352 VanDerWaalsContact O-CG 3.28Å; L348-D352 PolarHBondContact O-N 3.07Å
349H85.1Confident74.7Confident101 Ų10171.9 Ų71.947%0.46836%0.36SS..Hα-helixtrans-67.8-40.3177.2-17266.1000112.3E345 E346 D352 R353E345-H349 WeakPolarHBondContact O-CB 3.28Å; E345-H349 PolarHBondContact O-N 3.3Å; E346-H349 PolarHBondContact O-N 3.12Å; H349-D352 PolarHBondContact O-N 3.07Å; H349-R353 VanDerWaalsContact NE2-CZ 3.25Å; H349-R353 PolarHBondContact NE2-NE 2.65Å; H349-R353 PolarHBondContact NE2-NH2 3.18Å; H349-R353 WeakPolarHBondContact O-CG 3.36Å; H349-R353 PolarHBondContact O-N 2.84Å; H349-R353 VanDerWaalsContact O-N 3.13Å
350D83.1Confident72Confident65 Ų6576.8 Ų76.835%0.34838%0.377SS..Hα-helixtrans-71.3-33.1176.6-80.1-11.2000112.9V73 E346 D352 R353V73-D350 HydrophobicContact CG1-CB 3.74Å; V73-D350 HydrophobicContact CG2-CB 4.11Å; E346-D350 PolarHBondContact O-N 3.4Å; D350-D352 VanDerWaalsContact C-N 3.26Å; D350-D352 PolarHBondContact O-N 2.95Å; D350-R353 PolarHBondContact O-N 2.86Å; D350-R353 IonicContact OD1-NH1 2.71Å; D350-R353 PolarHBondContact OD1-NH1 3.16Å
351I80.3Confident69.3Low39 Ų3983.5 Ų83.520%0.241%0.413CS..Hα-helixtrans-61.7-38169.6-72.7167.8000110.6V73 K90 I93 V347 R353 I354V73-I351 HydrophobicContact CB-CG1 4.39Å; V73-I351 HydrophobicContact CG2-CG1 3.83Å; K90-I351 HydrophobicContact CB-CG2 4.48Å; K90-I351 HydrophobicContact CD-CG2 4.27Å; I93-I351 HydrophobicContact CD1-CD1 3.53Å; V347-I351 HydrophobicContact CG1-CD1 3.91Å; V347-I351 WeakPolarHBondContact O-CB 3.42Å; V347-I351 WeakPolarHBondContact O-CD1 3.3Å; V347-I351 WeakPolarHBondContact O-CG1 3.29Å; V347-I351 PolarHBondContact O-N 3.35Å; I351-R353 VanDerWaalsContact C-N 3.3Å; I351-R353 PolarHBondContact O-N 3.17Å; I351-I354 PolarHBondContact O-N 3.3Å
352D75.2Confident66.3Low92 Ų9287 Ų8749%0.49244%0.439SS..Hα-helixtrans-81.6-9.5-176.2-71.49.9000113.3K90 L348 H349 D350K90-D352 WeakPolarHBondContact CE-OD1 3.25Å; K90-D352 WeakPolarHBondContact CE-OD2 3.48Å; K90-D352 IonicContact NZ-OD1 3.57Å; K90-D352 PolarHBondContact NZ-OD1 2.9Å; K90-D352 IonicContact NZ-OD2 2.86Å; K90-D352 PolarHBondContact NZ-OD2 2.96Å; L348-D352 WeakPolarHBondContact O-CB 3.32Å; L348-D352 VanDerWaalsContact O-CG 3.28Å; L348-D352 PolarHBondContact O-N 3.07Å; H349-D352 PolarHBondContact O-N 3.07Å; D350-D352 VanDerWaalsContact C-N 3.26Å; D350-D352 PolarHBondContact O-N 2.95Å
353R69.1Low63.4Low163 Ų16388.8 Ų88.862%0.61545%0.452SS*.THydrogen-bonded Turntrans-86.8-10.6172.1-80.1171.5160.3175.7-4.8114.5H349 D350 I351 P355H349-R353 VanDerWaalsContact NE2-CZ 3.25Å; H349-R353 PolarHBondContact NE2-NE 2.65Å; H349-R353 PolarHBondContact NE2-NH2 3.18Å; H349-R353 WeakPolarHBondContact O-CG 3.36Å; H349-R353 PolarHBondContact O-N 2.84Å; H349-R353 VanDerWaalsContact O-N 3.13Å; D350-R353 PolarHBondContact O-N 2.86Å; D350-R353 IonicContact OD1-NH1 2.71Å; D350-R353 PolarHBondContact OD1-NH1 3.16Å; I351-R353 VanDerWaalsContact C-N 3.3Å; I351-R353 PolarHBondContact O-N 3.17Å; R353-P355 VanDerWaalsContact O-CD 3.31Å; R353-P355 WeakPolarHBondContact O-CD 3.34Å
354I62.6Low61Low78 Ų7896.9 Ų96.940%0.448%0.484SS..SBendtrans-73.4118.2179-58.4177000108.5V73 I351 D356V73-I354 HydrophobicContact CG2-CD1 4.08Å; I351-I354 PolarHBondContact O-N 3.3Å; I354-D356 PolarHBondContact O-N 3.15Å
355P48.1Very low58.1Low81 Ų81104.3 Ų104.353%0.52652%0.519SS..  trans-62.7131.2-176.1-23.634.7000112.6R353 E357 V358R353-P355 VanDerWaalsContact O-CD 3.31Å; R353-P355 WeakPolarHBondContact O-CD 3.34Å; P355-E357 PolarHBondContact O-N 2.66Å; P355-V358 PolarHBondContact O-N 3.41Å
356D46.7Very low55.2Low91 Ų91104 Ų10449%0.48753%0.525SS..G310 helixtrans-52.9-23.7176.8-106.46.8000113.6I354 V358 L359 K360I354-D356 PolarHBondContact O-N 3.15Å; D356-V358 PolarHBondContact O-N 3.22Å; D356-L359 PolarHBondContact O-N 3.42Å; D356-K360 HydrophobicContact CB-CD 4.5Å; D356-K360 PolarHBondContact O-N 2.87Å; D356-K360 VanDerWaalsContact O-N 3.12Å; D356-K360 VanDerWaalsContact OD2-CE 3.3Å; D356-K360 WeakPolarHBondContact OD2-CE 3.44Å; D356-K360 IonicContact OD2-NZ 3.55Å; D356-K360 PolarHBondContact OD2-NZ 2.82Å
357E42.3Very low52.6Low180 Ų180101.5 Ų101.584%0.84152%0.516SS*.G310 helixtrans-67.4-16.1179-61.1-170.1154.700114P355P355-E357 PolarHBondContact O-N 2.66Å
358V46Very low50.1Low117 Ų117107 Ų10771%0.70954%0.541SS*.G310 helixtrans-89.5-10.9170.9-172.70000111.6P355 D356P355-V358 PolarHBondContact O-N 3.41Å; D356-V358 PolarHBondContact O-N 3.22Å
359L42.1Very low47.4Very low102 Ų102107.8 Ų107.853%0.53455%0.548SS..THydrogen-bonded Turntrans-108.4-18.2-172.8-66.1171.7000113.9D356D356-L359 PolarHBondContact O-N 3.42Å
360K31.3Very low44.8Very low138 Ų138106.3 Ų106.360%0.655%0.554SS**  trans-9894.9178.8-69.1171.7-173.7162.20112D356D356-K360 HydrophobicContact CB-CD 4.5Å; D356-K360 PolarHBondContact O-N 2.87Å; D356-K360 VanDerWaalsContact O-N 3.12Å; D356-K360 VanDerWaalsContact OD2-CE 3.3Å; D356-K360 WeakPolarHBondContact OD2-CE 3.44Å; D356-K360 IonicContact OD2-NZ 3.55Å; D356-K360 PolarHBondContact OD2-NZ 2.82Å
361D32.7Very low42.3Very low143 Ų143106.3 Ų106.377%0.76556%0.557SS**  -175.2134.5127.1-103.7-16.4000115.9
362S29.5Very low39.9Very low99 Ų99110.2 Ų110.269%0.69258%0.577SS**  trans65.497.2156.369.50000121.9
363N29.3Very low37.8Very low142 Ų142111 Ų11176%0.75959%0.586SS**  trans80.3133.5132.9-60.2-20.3000122.7
364Y36.4Very low35.8Very low219 Ų219110.6 Ų110.686%0.85960%0.595SS**  trans76.354.3172.1-55.4-73.4000117.7
365E30.4Very low34.1Very low157 Ų157111 Ų11173%0.73461%0.605SS**  13.5126.2111.2-115.4177.4-146.300116.5H401E365-H401 VanDerWaalsContact C-CE1 3.41Å; E365-H401 WeakPolarHBondContact CB-CE1 3.47Å; E365-H401 WeakPolarHBondContact CB-NE2 3.44Å; E365-H401 VanDerWaalsContact CG-NE2 3.33Å; E365-H401 WeakPolarHBondContact CG-NE2 3.49Å; E365-H401 IonicContact OE2-CE1 3.49Å; E365-H401 IonicContact OE2-NE2 3.61Å
366C28.2Very low33.1Very low73 Ų73112.4 Ų112.449%0.49362%0.615SS.*  trans179.434-147.9-156.60000113.5H401C366-H401 HydrophobicContact CB-CB 3.43Å; C366-H401 VanDerWaalsContact CB-CB 3.43Å; C366-H401 VanDerWaalsContact CB-CG 3.4Å; C366-H401 PolarHBondContact N-CD2 3.46Å; C366-H401 VanDerWaalsContact N-CD2 3.29Å; C366-H401 PolarHBondContact N-NE2 3.29Å; C366-H401 VanDerWaalsContact SG-CB 3.53Å
367S32.3Very low32.3Very low26 Ų26117.5 Ų117.518%0.18264%0.636CS.*  trans25130.7169.874.80000125.1Q400 H401 R508S367-Q400 VanDerWaalsContact CB-C 3.43Å; S367-Q400 WeakPolarHBondContact CB-O 3.4Å; S367-Q400 PolarHBondContact OG-O 3.37Å; S367-H401 PolarHBondContact N-CD2 3.04Å; S367-H401 WeakPolarHBondContact OG-CB 3.44Å; S367-H401 PolarHBondContact OG-O 3.19Å; S367-R508 PolarHBondContact O-NH1 3.07Å; S367-R508 PolarHBondContact OG-NH1 3.36Å; S367-R508 PolarHBondContact OG-NH2 3.11Å
368Q34.5Very low31.7Very low119 Ų119117 Ų11756%0.55663%0.632SS**  -139.6144.5117.6-59.4-171.9-17.900109.1A370Q368-A370 PolarHBondContact O-N 2.66Å
369P31Very low30.9Very low38 Ų38115.3 Ų115.325%0.24764%0.638CS.*PPolyproline II helixtrans-70.2127.2-170.427.9-34000111R508 R512P369-R508 HydrophobicContact CG-CB 4.09Å; P369-R508 HydrophobicContact CG-CG 3.73Å; P369-R512 VanDerWaalsContact CB-NH2 3.33Å
370A30.4Very low30.6Very low71 Ų71118 Ų11859%0.58764%0.641SS**PPolyproline II helixtrans-76.3145.4173.600000111Q368Q368-A370 PolarHBondContact O-N 2.66Å
371P29.8Very low31.5Very low65 Ų65115.9 Ų115.942%0.42263%0.632SS.*PPolyproline II helixtrans-71.6146.7168.231.8-34000110.6T373P371-T373 PolarHBondContact O-N 3.37Å
372I30Very low33.1Very low121 Ų121117 Ų11762%0.62163%0.625SS**  trans-77.4104.4-176.8-58.5161.7000109.4
373T31.1Very low35.3Very low109 Ų109116 Ų11667%0.66961%0.609SS**  trans-149.8119.8159.551.50000109.7P371P371-T373 PolarHBondContact O-N 3.37Å
374N27.8Very low37.5Very low154 Ų154113.7 Ų113.782%0.82459%0.594SS**  trans-66.2125.9-172.2-56.5-29000113.3
375S26.6Very low39.5Very low85 Ų85104.7 Ų104.759%0.59456%0.559SS**  trans177.668.7151.465.50000112.6
376C27.8Very low42.1Very low111 Ų11198.1 Ų98.175%0.7553%0.528SS*.  trans-142.3128.2168-67.50000110.9F378C376-F378 PolarHBondContact O-N 3.22Å; C376-F378 VanDerWaalsContact O-N 3.12Å
377E29.7Very low44.9Very low198 Ų19895.1 Ų95.193%0.92551%0.509SS*.  trans-84.186-164.4-65.1155.5129.300112.4
378F29.2Very low47.7Very low170 Ų17093.9 Ų93.975%0.74650%0.5SS*.SBendtrans-141.343.6170.4-124.6-80.6000112.8C376 W380C376-F378 PolarHBondContact O-N 3.22Å; C376-F378 VanDerWaalsContact O-N 3.12Å; F378-W380 HydrophobicContact CB-CZ2 4.01Å; F378-W380 PolarHBondContact O-N 2.64Å
379G27.8Very low50.3Low81 Ų8195.2 Ų95.284%0.83550%0.504SS*.  trans55.423.6169.600000115.7K381G379-K381 PolarHBondContact O-N 2.92Å
380W36.4Very low53.1Low159 Ų15997.2 Ų97.260%0.60251%0.51SS*.  trans-61112-170.2-56.498.7000110.6F378 R382 I394F378-W380 HydrophobicContact CB-CZ2 4.01Å; F378-W380 PolarHBondContact O-N 2.64Å; W380-R382 PolarHBondContact O-N 3.32Å; W380-I394 HydrophobicContact CE3-CD1 3.69Å; W380-I394 HydrophobicContact CH2-CD1 4.39Å; W380-I394 HydrophobicContact CZ3-CD1 3.39Å; W380-I394 HydrophobicContact CZ3-CG1 4.23Å
381K51.5Low56Low93 Ų9394 Ų9440%0.40448%0.483SS..  trans-49.6131.9163.5-71.6-174.1174.5-176.60107.3G379 E383 M386 T535G379-K381 PolarHBondContact O-N 2.92Å; K381-E383 PolarHBondContact O-N 2.86Å; K381-M386 HydrophobicContact CB-CG 4.43Å; K381-T535 PolarHBondContact NZ-O 2.91Å
382R65.2Low59Low168 Ų16892.1 Ų92.163%0.63447%0.469SS*.  trans-53.1144.1176.2-60-173-177.2178.3-0.2108.5W380 E384 Y385W380-R382 PolarHBondContact O-N 3.32Å; R382-E384 PolarHBondContact O-N 3.11Å; R382-Y385 HydrophobicContact CB-CD2 3.81Å; R382-Y385 HydrophobicContact CB-CE2 3.98Å; R382-Y385 HydrophobicContact CG-CD2 4.38Å; R382-Y385 HydrophobicContact CG-CE2 4.21Å; R382-Y385 PolarHBondContact O-N 3.3Å
383E75.4Confident61.8Low76 Ų7690.5 Ų90.536%0.35547%0.468SS..G310 helixtrans-49.7-33.9-177.1-64.4-173.3-150.800112.1K381 Y385 M386 W391 H395 R519K381-E383 PolarHBondContact O-N 2.86Å; E383-Y385 PolarHBondContact O-N 3.25Å; E383-Y385 VanDerWaalsContact O-N 3.13Å; E383-M386 PolarHBondContact O-N 2.99Å; E383-W391 PolarHBondContact OE2-NE1 3.34Å; E383-H395 IonicContact OE1-CE1 3.63Å; E383-H395 PolarHBondContact OE1-CE1 3.05Å; E383-H395 VanDerWaalsContact OE1-CE1 3.27Å; E383-H395 IonicContact OE1-NE2 2.68Å; E383-H395 IonicContact OE2-CE1 3.19Å; E383-H395 IonicContact OE2-NE2 3.31Å; E383-R519 PolarHBondContact O-NH1 3.43Å
384E75.8Confident64.5Low94 Ų9487.6 Ų87.644%0.43945%0.448SS..G310 helixtrans-54-21.8174.6-63.3168.1161.700116.1R382 R528 T533R382-E384 PolarHBondContact O-N 3.11Å; E384-R528 PolarHBondContact O-NH2 2.99Å; E384-R528 VanDerWaalsContact O-NH2 3.14Å; E384-T533 WeakPolarHBondContact O-CG2 3.44Å
385Y78.5Confident67.3Low31 Ų3181.3 Ų81.312%0.12241%0.414CS..G310 helixtrans-1162-177.4-52.1-61.1000114.2R382 E383 T535 Y570R382-Y385 HydrophobicContact CB-CD2 3.81Å; R382-Y385 HydrophobicContact CB-CE2 3.98Å; R382-Y385 HydrophobicContact CG-CD2 4.38Å; R382-Y385 HydrophobicContact CG-CE2 4.21Å; R382-Y385 PolarHBondContact O-N 3.3Å; E383-Y385 PolarHBondContact O-N 3.25Å; E383-Y385 VanDerWaalsContact O-N 3.13Å; Y385-T535 WeakPolarHBondContact O-CG2 3.49Å; Y385-Y570 HydrophobicContact CE1-CD2 4.42Å; Y385-Y570 VanDerWaalsContact OH-CB 3.26Å; Y385-Y570 WeakPolarHBondContact OH-CB 3.24Å; Y385-Y570 VanDerWaalsContact OH-CD2 3.23Å; Y385-Y570 WeakPolarHBondContact OH-CD2 3.22Å
386M84.7Confident70.2Confident18 Ų1877.3 Ų77.39%0.08939%0.386CS..SBendtrans-81.6148.9175.1-61.3178.372.600110.5K381 E383 E390 W391 I394 R519 T533K381-M386 HydrophobicContact CB-CG 4.43Å; E383-M386 PolarHBondContact O-N 2.99Å; M386-E390 HydrophobicContact CB-CB 4.38Å; M386-E390 VanDerWaalsContact CE-C 3.48Å; M386-E390 HydrophobicContact CE-CB 3.77Å; M386-E390 WeakPolarHBondContact CE-O 3.48Å; M386-W391 HydrophobicContact CB-CB 4.44Å; M386-I394 HydrophobicContact CE-CD1 3.54Å; M386-I394 HydrophobicContact CE-CG1 4.27Å; M386-I394 HydrophobicContact SD-CD1 4.4Å; M386-R519 PolarHBondContact O-NH2 3.08Å; M386-T533 WeakPolarHBondContact O-CG2 3.49Å
387S87.8Confident73.2Confident11 Ų1172.2 Ų72.28%0.07735%0.351CS..  trans-65.9162.416163.20000110.1K389 E390 W391 T535S387-K389 PolarHBondContact O-N 3.04Å; S387-E390 VanDerWaalsContact CB-OE2 3.31Å; S387-E390 WeakPolarHBondContact CB-OE2 3.41Å; S387-E390 PolarHBondContact N-OE2 3.18Å; S387-E390 PolarHBondContact O-N 3.34Å; S387-E390 WeakPolarHBondContact OG-CB 3.48Å; S387-E390 VanDerWaalsContact OG-CD 3.27Å; S387-E390 VanDerWaalsContact OG-CG 3.22Å; S387-E390 WeakPolarHBondContact OG-CG 3.29Å; S387-E390 PolarHBondContact OG-N 2.88Å; S387-E390 VanDerWaalsContact OG-N 3.13Å; S387-E390 PolarHBondContact OG-OE2 3.45Å; S387-W391 WeakPolarHBondContact O-CB 3.3Å; S387-W391 PolarHBondContact O-N 2.89Å; S387-T535 VanDerWaalsContact N-CG2 3.27Å
388S90.4Very high76Confident0 Ų070.2 Ų70.20%034%0.339CS..Hα-helixtrans-72-24.2177-49.30000112.1L392 L523 D706S388-L392 VanDerWaalsContact O-CB 3.24Å; S388-L392 WeakPolarHBondContact O-CB 3.47Å; S388-L392 WeakPolarHBondContact O-CG 3.47Å; S388-L392 PolarHBondContact O-N 2.95Å; S388-L523 WeakPolarHBondContact OG-CD1 3.04Å; S388-D706 WeakPolarHBondContact CA-OD1 3.42Å; S388-D706 WeakPolarHBondContact CB-OD1 3.49Å; S388-D706 PolarHBondContact N-OD1 3.48Å; S388-D706 WeakPolarHBondContact OG-CB 3.49Å; S388-D706 VanDerWaalsContact OG-CG 3.31Å; S388-D706 PolarHBondContact OG-OD1 3.41Å
389K90Very high78.8Confident146 Ų14663.4 Ų63.464%0.63531%0.314SS*.Hα-helixtrans-66.2-44.3171.5-171.9176.7-179.9178.20112.2S387 S393 L709S387-K389 PolarHBondContact O-N 3.04Å; K389-S393 PolarHBondContact O-N 2.68Å; K389-S393 VanDerWaalsContact O-N 3.11Å; K389-L709 HydrophobicContact CB-CD1 4.07Å
390E89.8Confident81.7Confident80 Ų8060.9 Ų60.937%0.37428%0.281SS..Hα-helixtrans-70.5-39.8172.5-66.7161.512500111.6M386 S387 L392 S393 I394M386-E390 HydrophobicContact CB-CB 4.38Å; M386-E390 VanDerWaalsContact CE-C 3.48Å; M386-E390 HydrophobicContact CE-CB 3.77Å; M386-E390 WeakPolarHBondContact CE-O 3.48Å; S387-E390 VanDerWaalsContact CB-OE2 3.31Å; S387-E390 WeakPolarHBondContact CB-OE2 3.41Å; S387-E390 PolarHBondContact N-OE2 3.18Å; S387-E390 PolarHBondContact O-N 3.34Å; S387-E390 WeakPolarHBondContact OG-CB 3.48Å; S387-E390 VanDerWaalsContact OG-CD 3.27Å; S387-E390 VanDerWaalsContact OG-CG 3.22Å; S387-E390 WeakPolarHBondContact OG-CG 3.29Å; S387-E390 PolarHBondContact OG-N 2.88Å; S387-E390 VanDerWaalsContact OG-N 3.13Å; S387-E390 PolarHBondContact OG-OE2 3.45Å; E390-L392 VanDerWaalsContact C-N 3.29Å; E390-L392 PolarHBondContact O-N 3.26Å; E390-S393 PolarHBondContact O-N 2.77Å; E390-S393 VanDerWaalsContact O-N 3.13Å; E390-S393 PolarHBondContact O-OG 3.29Å; E390-I394 PolarHBondContact O-N 3.46Å
391W91Very high84.1Confident5 Ų554.2 Ų54.22%0.01926%0.256CS..Hα-helixtrans-62.1-40.3176.5-169.690.5000110.7E383 M386 S387 S393 I394 H395 A515 I516 R519 L710E383-W391 PolarHBondContact OE2-NE1 3.34Å; M386-W391 HydrophobicContact CB-CB 4.44Å; S387-W391 WeakPolarHBondContact O-CB 3.3Å; S387-W391 PolarHBondContact O-N 2.89Å; W391-S393 PolarHBondContact O-N 3.17Å; W391-I394 PolarHBondContact O-N 3.39Å; W391-H395 AromaticContact CD1-CD2 3.78Å; W391-H395 HydrophobicContact CD2-CB 3.89Å; W391-H395 AromaticContact CD2-CD2 3.96Å; W391-H395 AromaticContact CE2-CD2 3.71Å; W391-H395 AromaticContact CE2-CG 3.65Å; W391-H395 HydrophobicContact CE3-CB 3.81Å; W391-H395 HydrophobicContact CH2-CB 3.56Å; W391-H395 HydrophobicContact CZ2-CB 3.64Å; W391-H395 AromaticContact CZ2-CG 3.74Å; W391-H395 HydrophobicContact CZ3-CB 3.65Å; W391-H395 AromaticContact NE1-CD2 3.59Å; W391-H395 AromaticContact NE1-CG 3.95Å; W391-H395 AromaticContact NE1-NE2 3.82Å; W391-H395 WeakPolarHBondContact O-CB 3.4Å; W391-H395 PolarHBondContact O-CD2 2.75Å; W391-H395 VanDerWaalsContact O-CD2 3.3Å; W391-H395 PolarHBondContact O-N 3.13Å; W391-A515 HydrophobicContact CH2-CB 3.98Å; W391-A515 HydrophobicContact CZ2-CB 4.27Å; W391-I516 HydrophobicContact CH2-CG1 4.23Å; W391-I516 HydrophobicContact CZ3-CG1 3.91Å; W391-R519 HydrophobicContact CD2-CG 4.17Å; W391-R519 HydrophobicContact CE3-CG 4.29Å; W391-R519 HydrophobicContact CH2-CB 4.29Å; W391-R519 HydrophobicContact CZ2-CB 4.29Å; W391-R519 HydrophobicContact CZ3-CB 4.46Å; W391-L710 HydrophobicContact CE3-CD2 3.93Å; W391-L710 HydrophobicContact CZ3-CD2 4.03Å
392L91.8Very high85.8Confident25 Ų2549.8 Ų49.813%0.13124%0.237CC..Hα-helixtrans-69.5-25.8173.8-76174.1000114S388 E390 I394 G396 L709 L710 E713S388-L392 VanDerWaalsContact O-CB 3.24Å; S388-L392 WeakPolarHBondContact O-CB 3.47Å; S388-L392 WeakPolarHBondContact O-CG 3.47Å; S388-L392 PolarHBondContact O-N 2.95Å; E390-L392 VanDerWaalsContact C-N 3.29Å; E390-L392 PolarHBondContact O-N 3.26Å; L392-I394 PolarHBondContact O-N 2.8Å; L392-G396 VanDerWaalsContact O-CA 3.22Å; L392-G396 WeakPolarHBondContact O-CA 2.9Å; L392-G396 PolarHBondContact O-N 2.92Å; L392-L709 HydrophobicContact CD1-CB 4.01Å; L392-L710 HydrophobicContact CD1-CD2 4.14Å; L392-L710 HydrophobicContact CD2-CD2 3.95Å; L392-L710 HydrophobicContact CG-CD2 3.93Å; L392-E713 HydrophobicContact CD1-CB 4.35Å; L392-E713 HydrophobicContact CD2-CB 3.98Å; L392-E713 HydrophobicContact CD2-CG 3.69Å
393S88.9Confident86.8Confident86 Ų8643.3 Ų43.360%0.60122%0.215SC*.Hα-helixtrans-68.8-20.7175800000112.9K389 E390 W391 A399K389-S393 PolarHBondContact O-N 2.68Å; K389-S393 VanDerWaalsContact O-N 3.11Å; E390-S393 PolarHBondContact O-N 2.77Å; E390-S393 VanDerWaalsContact O-N 3.13Å; E390-S393 PolarHBondContact O-OG 3.29Å; W391-S393 PolarHBondContact O-N 3.17Å; S393-A399 WeakPolarHBondContact O-CB 3.39Å
394I87.7Confident87.2Confident49 Ų4940.7 Ų40.725%0.25120%0.203SC..Hα-helixtrans-101.3-48.9173.2-53.5179.7000111.6W380 M386 E390 W391 L392 A399 Q400W380-I394 HydrophobicContact CE3-CD1 3.69Å; W380-I394 HydrophobicContact CH2-CD1 4.39Å; W380-I394 HydrophobicContact CZ3-CD1 3.39Å; W380-I394 HydrophobicContact CZ3-CG1 4.23Å; M386-I394 HydrophobicContact CE-CD1 3.54Å; M386-I394 HydrophobicContact CE-CG1 4.27Å; M386-I394 HydrophobicContact SD-CD1 4.4Å; E390-I394 PolarHBondContact O-N 3.46Å; W391-I394 PolarHBondContact O-N 3.39Å; L392-I394 PolarHBondContact O-N 2.8Å; I394-A399 WeakPolarHBondContact O-CB 3.36Å; I394-Q400 PolarHBondContact O-NE2 3.12Å
395H86.8Confident87.5Confident22 Ų2239.4 Ų39.410%0.10219%0.194CC..Hα-helixtrans-102.2-10-167.7-59.9-100.7000114.4E383 W391 Q400E383-H395 IonicContact OE1-CE1 3.63Å; E383-H395 PolarHBondContact OE1-CE1 3.05Å; E383-H395 VanDerWaalsContact OE1-CE1 3.27Å; E383-H395 IonicContact OE1-NE2 2.68Å; E383-H395 IonicContact OE2-CE1 3.19Å; E383-H395 IonicContact OE2-NE2 3.31Å; W391-H395 AromaticContact CD1-CD2 3.78Å; W391-H395 HydrophobicContact CD2-CB 3.89Å; W391-H395 AromaticContact CD2-CD2 3.96Å; W391-H395 AromaticContact CE2-CD2 3.71Å; W391-H395 AromaticContact CE2-CG 3.65Å; W391-H395 HydrophobicContact CE3-CB 3.81Å; W391-H395 HydrophobicContact CH2-CB 3.56Å; W391-H395 HydrophobicContact CZ2-CB 3.64Å; W391-H395 AromaticContact CZ2-CG 3.74Å; W391-H395 HydrophobicContact CZ3-CB 3.65Å; W391-H395 AromaticContact NE1-CD2 3.59Å; W391-H395 AromaticContact NE1-CG 3.95Å; W391-H395 AromaticContact NE1-NE2 3.82Å; W391-H395 WeakPolarHBondContact O-CB 3.4Å; W391-H395 PolarHBondContact O-CD2 2.75Å; W391-H395 VanDerWaalsContact O-CD2 3.3Å; W391-H395 PolarHBondContact O-N 3.13Å; H395-Q400 WeakPolarHBondContact O-CG 3.33Å
396G88.5Confident87.8Confident1 Ų139.7 Ų39.71%0.0120%0.198CC..SBendtrans-65.2163.6178.900000113.2L392 K398 A399 Q400L392-G396 VanDerWaalsContact O-CA 3.22Å; L392-G396 WeakPolarHBondContact O-CA 2.9Å; L392-G396 PolarHBondContact O-N 2.92Å; G396-K398 VanDerWaalsContact C-N 3.32Å; G396-K398 PolarHBondContact O-N 2.95Å; G396-A399 PolarHBondContact O-N 3.43Å; G396-Q400 VanDerWaalsContact O-CB 3.26Å; G396-Q400 WeakPolarHBondContact O-CB 3.33Å; G396-Q400 VanDerWaalsContact O-CG 3.26Å; G396-Q400 WeakPolarHBondContact O-CG 3.44Å; G396-Q400 PolarHBondContact O-N 3.25Å
397L90.4Very high87.5Confident3 Ų340 Ų402%0.01620%0.199CC..THydrogen-bonded Turntrans-60.2-40.5-174.6-58.3178.9000111.9Q400 H401 L402 M509 R512 E713 I716 G717L397-Q400 CarbonylContact O-C 3.53Å; L397-Q400 PolarHBondContact O-N 3.24Å; L397-H401 CarbonylContact O-C 3.58Å; L397-H401 WeakPolarHBondContact O-CA 3.31Å; L397-H401 PolarHBondContact O-N 3.12Å; L397-L402 HydrophobicContact CB-CB 4.34Å; L397-L402 HydrophobicContact CD2-CB 4.18Å; L397-L402 HydrophobicContact CD2-CD1 4.42Å; L397-L402 PolarHBondContact O-N 3.15Å; L397-M509 HydrophobicContact CD1-CE 4.16Å; L397-M509 HydrophobicContact CD1-SD 4.32Å; L397-M509 HydrophobicContact CD2-CE 3.91Å; L397-M509 HydrophobicContact CD2-SD 3.41Å; L397-M509 WeakPolarHBondContact CD2-SD 3.49Å; L397-M509 HydrophobicContact CG-SD 4.49Å; L397-R512 HydrophobicContact CD2-CB 4.26Å; L397-E713 WeakPolarHBondContact CA-OE1 3.36Å; L397-E713 VanDerWaalsContact CB-OE1 3.29Å; L397-E713 WeakPolarHBondContact CB-OE1 3.38Å; L397-E713 HydrophobicContact CD1-CG 4.18Å; L397-E713 WeakPolarHBondContact CD1-O 3.47Å; L397-E713 HydrophobicContact CG-CG 3.91Å; L397-E713 WeakPolarHBondContact CG-OE1 3.26Å; L397-E713 PolarHBondContact N-OE1 3.39Å; L397-I716 HydrophobicContact CD1-CB 4.33Å; L397-I716 HydrophobicContact CD1-CG2 4.01Å; L397-G717 VanDerWaalsContact CD1-CA 3.42Å
398K87.7Confident87.2Confident156 Ų15639.4 Ų39.468%0.67820%0.196SC*.THydrogen-bonded Turntrans-67.5-44.8177.3-170.8-177.2174.7-168.90112.3G396 Q400 H401G396-K398 VanDerWaalsContact C-N 3.32Å; G396-K398 PolarHBondContact O-N 2.95Å; K398-Q400 PolarHBondContact O-N 3.41Å; K398-H401 WeakPolarHBondContact O-CA 3.29Å; K398-H401 PolarHBondContact O-CE1 3.16Å; K398-H401 VanDerWaalsContact O-CE1 3.24Å; K398-H401 PolarHBondContact O-N 2.74Å; K398-H401 PolarHBondContact O-ND1 3.29Å
399A88.4Confident86.8Confident27 Ų2744 Ų4422%0.22322%0.223CC..THydrogen-bonded Turntrans-66.6-2817600000112.7S393 I394 G396 H401S393-A399 WeakPolarHBondContact O-CB 3.39Å; I394-A399 WeakPolarHBondContact O-CB 3.36Å; G396-A399 PolarHBondContact O-N 3.43Å; A399-H401 VanDerWaalsContact C-N 3.31Å; A399-H401 PolarHBondContact O-CD2 3.05Å; A399-H401 VanDerWaalsContact O-CD2 3.28Å; A399-H401 PolarHBondContact O-NE2 2.75Å; A399-H401 VanDerWaalsContact O-NE2 3.16Å
400Q88.1Confident86.2Confident29 Ų2941.5 Ų41.514%0.13622%0.224CC..THydrogen-bonded Turntrans-94.912.1174.3-62.3-68.1-45.300112.3S367 I394 H395 G396 L397 K398 L402 R508 R512S367-Q400 VanDerWaalsContact CB-C 3.43Å; S367-Q400 WeakPolarHBondContact CB-O 3.4Å; S367-Q400 PolarHBondContact OG-O 3.37Å; I394-Q400 PolarHBondContact O-NE2 3.12Å; H395-Q400 WeakPolarHBondContact O-CG 3.33Å; G396-Q400 VanDerWaalsContact O-CB 3.26Å; G396-Q400 WeakPolarHBondContact O-CB 3.33Å; G396-Q400 VanDerWaalsContact O-CG 3.26Å; G396-Q400 WeakPolarHBondContact O-CG 3.44Å; G396-Q400 PolarHBondContact O-N 3.25Å; L397-Q400 CarbonylContact O-C 3.53Å; L397-Q400 PolarHBondContact O-N 3.24Å; K398-Q400 PolarHBondContact O-N 3.41Å; Q400-L402 HydrophobicContact CB-CD1 4.2Å; Q400-L402 WeakPolarHBondContact O-CG 3.49Å; Q400-L402 PolarHBondContact O-N 3.38Å; Q400-L402 VanDerWaalsContact O-N 3.13Å; Q400-R508 PolarHBondContact O-NH2 3.46Å; Q400-R512 HydrophobicContact CB-CG 4.44Å; Q400-R512 HydrophobicContact CG-CG 4.5Å; Q400-R512 VanDerWaalsContact OE1-NE 3.1Å
401H87.6Confident85.8Confident18 Ų1838.3 Ų38.38%0.08321%0.21CC..THydrogen-bonded Turntrans29.755.6-174.8-33.4-92.4000114.1E365 C366 S367 L397 K398 A399 D406E365-H401 VanDerWaalsContact C-CE1 3.41Å; E365-H401 WeakPolarHBondContact CB-CE1 3.47Å; E365-H401 WeakPolarHBondContact CB-NE2 3.44Å; E365-H401 VanDerWaalsContact CG-NE2 3.33Å; E365-H401 WeakPolarHBondContact CG-NE2 3.49Å; E365-H401 IonicContact OE2-CE1 3.49Å; E365-H401 IonicContact OE2-NE2 3.61Å; C366-H401 HydrophobicContact CB-CB 3.43Å; C366-H401 VanDerWaalsContact CB-CB 3.43Å; C366-H401 VanDerWaalsContact CB-CG 3.4Å; C366-H401 PolarHBondContact N-CD2 3.46Å; C366-H401 VanDerWaalsContact N-CD2 3.29Å; C366-H401 PolarHBondContact N-NE2 3.29Å; C366-H401 VanDerWaalsContact SG-CB 3.53Å; S367-H401 PolarHBondContact N-CD2 3.04Å; S367-H401 WeakPolarHBondContact OG-CB 3.44Å; S367-H401 PolarHBondContact OG-O 3.19Å; L397-H401 CarbonylContact O-C 3.58Å; L397-H401 WeakPolarHBondContact O-CA 3.31Å; L397-H401 PolarHBondContact O-N 3.12Å; K398-H401 WeakPolarHBondContact O-CA 3.29Å; K398-H401 PolarHBondContact O-CE1 3.16Å; K398-H401 VanDerWaalsContact O-CE1 3.24Å; K398-H401 PolarHBondContact O-N 2.74Å; K398-H401 PolarHBondContact O-ND1 3.29Å; A399-H401 VanDerWaalsContact C-N 3.31Å; A399-H401 PolarHBondContact O-CD2 3.05Å; A399-H401 VanDerWaalsContact O-CD2 3.28Å; A399-H401 PolarHBondContact O-NE2 2.75Å; A399-H401 VanDerWaalsContact O-NE2 3.16Å; H401-D406 HydrophobicContact CB-CB 3.97Å; H401-D406 WeakPolarHBondContact CB-OD2 3.36Å; H401-D406 IonicContact CG-OD2 2.72Å; H401-D406 IonicContact ND1-OD2 3.82Å
402L87.6Confident85.2Confident0 Ų039.5 Ų39.50%022%0.219CC..  trans-106.45.3169.3-72.9164000110.9L397 Q400 Y505 R508 M509 R512L397-L402 HydrophobicContact CB-CB 4.34Å; L397-L402 HydrophobicContact CD2-CB 4.18Å; L397-L402 HydrophobicContact CD2-CD1 4.42Å; L397-L402 PolarHBondContact O-N 3.15Å; Q400-L402 HydrophobicContact CB-CD1 4.2Å; Q400-L402 WeakPolarHBondContact O-CG 3.49Å; Q400-L402 PolarHBondContact O-N 3.38Å; Q400-L402 VanDerWaalsContact O-N 3.13Å; L402-Y505 HydrophobicContact CB-CE2 4.22Å; L402-Y505 HydrophobicContact CD2-CD2 3.53Å; L402-Y505 HydrophobicContact CD2-CE2 3.52Å; L402-Y505 HydrophobicContact CD2-CG 4.49Å; L402-Y505 HydrophobicContact CG-CE2 4.49Å; L402-Y505 PolarHBondContact O-OH 2.57Å; L402-R508 HydrophobicContact CD2-CB 3.9Å; L402-M509 HydrophobicContact CB-CE 3.83Å; L402-M509 HydrophobicContact CB-SD 4.44Å; L402-M509 HydrophobicContact CD2-CB 4.46Å; L402-M509 WeakPolarHBondContact O-CE 3.47Å; L402-R512 HydrophobicContact CD1-CB 4.08Å; L402-R512 HydrophobicContact CD1-CG 3.61Å
403D85.2Confident84.6Confident32 Ų3242.6 Ų42.617%0.17123%0.232CC..SBendtrans-52.9142.7164.4-176.830.7000109Y405 D406 L407 K488D403-Y405 PolarHBondContact O-N 3.04Å; D403-D406 HydrophobicContact CB-CB 4.33Å; D403-D406 PolarHBondContact O-N 3.2Å; D403-D406 VanDerWaalsContact O-N 3.14Å; D403-L407 PolarHBondContact O-N 3.46Å; D403-K488 IonicContact OD2-NZ 3.94Å; D403-K488 PolarHBondContact OD2-NZ 2.84Å
404F84.1Confident83.8Confident22 Ų2246 Ų4610%0.09624%0.236CC..Hα-helixtrans-52.1-44-177.6177.3-113.3000111.8L408 N720 K723 L727F404-L408 HydrophobicContact CD1-CD1 3.91Å; F404-L408 HydrophobicContact CE1-CD1 3.49Å; F404-L408 VanDerWaalsContact CE1-CD1 3.49Å; F404-L408 HydrophobicContact CE1-CG 4.44Å; F404-L408 HydrophobicContact CE2-CD1 4.4Å; F404-L408 HydrophobicContact CZ-CD1 3.78Å; F404-L408 HydrophobicContact CZ-CG 4.47Å; F404-L408 WeakPolarHBondContact O-CG 3.34Å; F404-L408 PolarHBondContact O-N 2.95Å; F404-L408 VanDerWaalsContact O-N 3.1Å; F404-N720 HydrophobicContact CB-CB 4.4Å; F404-N720 PolarHBondContact N-ND2 3.28Å; F404-K723 HydrophobicContact CD2-CB 4.01Å; F404-K723 HydrophobicContact CE2-CB 3.5Å; F404-K723 HydrophobicContact CE2-CD 4.49Å; F404-K723 HydrophobicContact CZ-CB 4.07Å; F404-L727 HydrophobicContact CE2-CD1 3.74Å; F404-L727 HydrophobicContact CZ-CD1 3.73Å
405Y83.2Confident82.7Confident66 Ų6647 Ų4726%0.25924%0.239SC..Hα-helixtrans-77-30.5-177-65.2-90000113.5D403 L407 L408 V409 K488D403-Y405 PolarHBondContact O-N 3.04Å; Y405-L407 VanDerWaalsContact C-N 3.29Å; Y405-L407 PolarHBondContact O-N 2.83Å; Y405-L408 HydrophobicContact CD1-CD1 4.35Å; Y405-L408 PolarHBondContact O-N 3.37Å; Y405-L408 VanDerWaalsContact O-N 3.11Å; Y405-V409 WeakPolarHBondContact O-CG2 3.49Å; Y405-V409 PolarHBondContact O-N 3.26Å; Y405-K488 VanDerWaalsContact CB-CE 3.49Å; Y405-K488 HydrophobicContact CD1-CD 4.38Å; Y405-K488 HydrophobicContact CD1-CG 3.69Å; Y405-K488 HydrophobicContact CD2-CD 4.18Å; Y405-K488 HydrophobicContact CD2-CG 4.13Å; Y405-K488 HydrophobicContact CE1-CG 3.58Å; Y405-K488 HydrophobicContact CE2-CD 4.37Å; Y405-K488 VanDerWaalsContact CE2-CE 3.45Å; Y405-K488 HydrophobicContact CE2-CG 4Å; Y405-K488 HydrophobicContact CG-CD 4.14Å; Y405-K488 HydrophobicContact CG-CG 3.94Å
406D83Confident81.2Confident38 Ų3850.2 Ų50.220%0.20326%0.263CS..Hα-helixtrans-61.7-41.1175.6-71.1-13.4000110.4H401 D403H401-D406 HydrophobicContact CB-CB 3.97Å; H401-D406 WeakPolarHBondContact CB-OD2 3.36Å; H401-D406 IonicContact CG-OD2 2.72Å; H401-D406 IonicContact ND1-OD2 3.82Å; D403-D406 HydrophobicContact CB-CB 4.33Å; D403-D406 PolarHBondContact O-N 3.2Å; D403-D406 VanDerWaalsContact O-N 3.14Å
407L79Confident79.8Confident23 Ų2353.5 Ų53.512%0.1228%0.281CS..Hα-helixtrans-65.6-46.6169.9178.7142.8000111.5D403 Y405 V409 S410 V411 Y505 L724D403-L407 PolarHBondContact O-N 3.46Å; Y405-L407 VanDerWaalsContact C-N 3.29Å; Y405-L407 PolarHBondContact O-N 2.83Å; L407-V409 PolarHBondContact O-N 3.08Å; L407-V409 VanDerWaalsContact O-N 3.15Å; L407-S410 PolarHBondContact O-N 3.06Å; L407-S410 PolarHBondContact O-OG 3.41Å; L407-V411 HydrophobicContact CD2-CG2 3.83Å; L407-Y505 HydrophobicContact CB-CD2 4.32Å; L407-Y505 HydrophobicContact CB-CE2 4.19Å; L407-Y505 HydrophobicContact CD1-CD1 4.35Å; L407-Y505 HydrophobicContact CD1-CD2 3.2Å; L407-Y505 HydrophobicContact CD1-CE2 3.85Å; L407-Y505 HydrophobicContact CD1-CG 3.46Å; L407-Y505 VanDerWaalsContact CD1-CG 3.46Å; L407-Y505 HydrophobicContact CG-CD2 4.36Å; L407-L724 HydrophobicContact CD1-CD2 3.86Å; L407-L724 HydrophobicContact CD2-CD1 3.49Å; L407-L724 VanDerWaalsContact CD2-CD1 3.49Å; L407-L724 HydrophobicContact CD2-CD2 4.13Å; L407-L724 HydrophobicContact CD2-CG 4.49Å
408L82Confident77.7Confident0 Ų054.7 Ų54.70%029%0.294CS..Hα-helixtrans-59.1-27.8-178.9-70.3-178.1000113F404 Y405 S410 V411 S412 I485 W487 V495 L727F404-L408 HydrophobicContact CD1-CD1 3.91Å; F404-L408 HydrophobicContact CE1-CD1 3.49Å; F404-L408 VanDerWaalsContact CE1-CD1 3.49Å; F404-L408 HydrophobicContact CE1-CG 4.44Å; F404-L408 HydrophobicContact CE2-CD1 4.4Å; F404-L408 HydrophobicContact CZ-CD1 3.78Å; F404-L408 HydrophobicContact CZ-CG 4.47Å; F404-L408 WeakPolarHBondContact O-CG 3.34Å; F404-L408 PolarHBondContact O-N 2.95Å; F404-L408 VanDerWaalsContact O-N 3.1Å; Y405-L408 HydrophobicContact CD1-CD1 4.35Å; Y405-L408 PolarHBondContact O-N 3.37Å; Y405-L408 VanDerWaalsContact O-N 3.11Å; L408-S410 PolarHBondContact O-N 3.22Å; L408-V411 HydrophobicContact CD2-CG2 3.97Å; L408-V411 PolarHBondContact O-N 2.89Å; L408-S412 WeakPolarHBondContact O-CB 3.37Å; L408-S412 PolarHBondContact O-N 2.83Å; L408-S412 PolarHBondContact O-OG 3.15Å; L408-I485 HydrophobicContact CD1-CD1 3.94Å; L408-I485 HydrophobicContact CD1-CG2 4.21Å; L408-I485 HydrophobicContact CD2-CD1 3.86Å; L408-W487 HydrophobicContact CB-CH2 3.89Å; L408-W487 HydrophobicContact CB-CZ3 3.62Å; L408-W487 HydrophobicContact CD1-CZ3 4.48Å; L408-V495 HydrophobicContact CD2-CG1 3.82Å; L408-V495 HydrophobicContact CD2-CG2 4.26Å; L408-L727 HydrophobicContact CD2-CD1 4.33Å
409V81.9Confident75.9Confident96 Ų9651.8 Ų51.858%0.58229%0.289SS*.Hα-helixtrans-57.2-36.2175170.10000111.3Y405 L407 W487Y405-V409 WeakPolarHBondContact O-CG2 3.49Å; Y405-V409 PolarHBondContact O-N 3.26Å; L407-V409 PolarHBondContact O-N 3.08Å; L407-V409 VanDerWaalsContact O-N 3.15Å; V409-W487 HydrophobicContact CB-CH2 4.35Å; V409-W487 HydrophobicContact CG2-CH2 3.58Å; V409-W487 HydrophobicContact CG2-CZ2 3.6Å
410S77.6Confident74Confident93 Ų9353.7 Ų53.765%0.6530%0.298SS*.Hα-helixtrans-80.7-23.4-178.570.20000114.6L407 L408L407-S410 PolarHBondContact O-N 3.06Å; L407-S410 PolarHBondContact O-OG 3.41Å; L408-S410 PolarHBondContact O-N 3.22Å
411V80.7Confident72.5Confident14 Ų1456.7 Ų56.79%0.08532%0.315CS..Hα-helixtrans-115.47.8-174.1-61.80000114L407 L408 V495 Q496 I497 M501L407-V411 HydrophobicContact CD2-CG2 3.83Å; L408-V411 HydrophobicContact CD2-CG2 3.97Å; L408-V411 PolarHBondContact O-N 2.89Å; V411-V495 HydrophobicContact CG2-CG1 4.04Å; V411-V495 WeakPolarHBondContact O-CA 3.33Å; V411-Q496 PolarHBondContact O-N 3.33Å; V411-Q496 VanDerWaalsContact O-N 3.16Å; V411-I497 HydrophobicContact CG2-CG1 4.31Å; V411-M501 HydrophobicContact CB-CE 4.44Å; V411-M501 HydrophobicContact CG1-CE 3.52Å; V411-M501 HydrophobicContact CG1-SD 3.54Å; V411-M501 VanDerWaalsContact CG1-SD 3.54Å
412S79.9Confident70.9Confident29 Ų2958.2 Ų58.220%0.20333%0.325CS..EExtended strand (participates in β ladder)trans-117.9145.6-178.472.90000113.5L408 W487 H494L408-S412 WeakPolarHBondContact O-CB 3.37Å; L408-S412 PolarHBondContact O-N 2.83Å; L408-S412 PolarHBondContact O-OG 3.15Å; S412-W487 WeakPolarHBondContact OG-CZ3 3.46Å; S412-H494 CarbonylContact C-O 3.6Å; S412-H494 WeakPolarHBondContact CA-O 3.4Å
413F78Confident69Low90 Ų9063.5 Ų63.540%0.39535%0.353SS..EExtended strand (participates in β ladder)trans-133.8147.7172.460.5-84.5000110.5F482 V493 H494F413-F482 AromaticContact CE1-CD1 3.86Å; F413-F482 HydrophobicContact CE1-CD1 3.86Å; F413-F482 AromaticContact CE1-CE1 3.88Å; F413-F482 HydrophobicContact CE1-CE1 3.88Å; F413-F482 HydrophobicContact CE1-CG 4.33Å; F413-F482 HydrophobicContact CE1-CZ 4.38Å; F413-F482 AromaticContact CZ-CD1 3.75Å; F413-F482 HydrophobicContact CZ-CD1 3.75Å; F413-F482 AromaticContact CZ-CD2 3.91Å; F413-F482 HydrophobicContact CZ-CD2 3.91Å; F413-F482 AromaticContact CZ-CE1 3.74Å; F413-F482 HydrophobicContact CZ-CE1 3.74Å; F413-F482 AromaticContact CZ-CE2 3.91Å; F413-F482 HydrophobicContact CZ-CE2 3.91Å; F413-F482 AromaticContact CZ-CG 3.84Å; F413-F482 HydrophobicContact CZ-CG 3.84Å; F413-F482 AromaticContact CZ-CZ 3.82Å; F413-F482 HydrophobicContact CZ-CZ 3.82Å; F413-V493 CarbonylContact O-C 3.6Å; F413-V493 WeakPolarHBondContact O-CA 3.41Å; F413-H494 HydrophobicContact CD1-CB 3.95Å; F413-H494 HydrophobicContact CD2-CB 3.9Å; F413-H494 AromaticContact CD2-CD2 3.86Å; F413-H494 HydrophobicContact CE1-CB 3.54Å; F413-H494 HydrophobicContact CE2-CB 3.5Å; F413-H494 AromaticContact CE2-CD2 3.4Å; F413-H494 VanDerWaalsContact CE2-CD2 3.4Å; F413-H494 WeakPolarHBondContact CE2-CD2 3.33Å; F413-H494 AromaticContact CE2-CG 3.69Å; F413-H494 HydrophobicContact CG-CB 4.12Å; F413-H494 HydrophobicContact CZ-CB 3.31Å; F413-H494 AromaticContact CZ-CG 3.84Å; F413-H494 PolarHBondContact N-O 2.85Å; F413-H494 PolarHBondContact O-N 2.76Å
414K72Confident67.3Low157 Ų15767 Ų6768%0.68337%0.367SS*.EExtended strand (participates in β ladder)trans-68.2136.7-176.6-65.7-177.7-179.8-179.90110.6C416K414-C416 PolarHBondContact O-N 2.88Å
415H64.7Low65.5Low70 Ų7071 Ų7132%0.32440%0.395SS..  trans-64.3122.6163.8-175.687.1000108.8D417 C479 I492 H494H415-D417 IonicContact NE2-OD1 3.99Å; H415-D417 IonicContact NE2-OD2 3Å; H415-C479 PolarHBondContact CE1-SG 2.93Å; H415-C479 PolarHBondContact ND1-SG 3.3Å; H415-I492 PolarHBondContact N-O 3.28Å; H415-H494 AromaticContact CE1-NE2 3.98Å; H415-H494 AromaticContact ND1-NE2 3.27Å; H415-H494 PolarHBondContact ND1-NE2 3.06Å
416C55.5Low63.7Low91 Ų9171.7 Ų71.762%0.61541%0.407SS*.  trans-136.588.4-170.1-76.30000111.1K414K414-C416 PolarHBondContact O-N 2.88Å
417D59.5Low61.9Low69 Ų6977.2 Ų77.237%0.36944%0.436SS..  trans-70.9131.1165-72.7-32.8000110.7H415 N475 A476H415-D417 IonicContact NE2-OD1 3.99Å; H415-D417 IonicContact NE2-OD2 3Å; D417-N475 VanDerWaalsContact OD1-CA 3.27Å; D417-N475 WeakPolarHBondContact OD1-CA 3.42Å; D417-A476 PolarHBondContact OD1-N 2.69Å
418G46.4Very low59.8Low29 Ų2983.5 Ų83.530%0.29947%0.47SS..EExtended strand (participates in β ladder)trans-118.7123.3-173.400000112.6V420 I474G418-V420 PolarHBondContact O-N 3.01Å; G418-I474 PolarHBondContact N-O 3.34Å; G418-I474 VanDerWaalsContact N-O 3.09Å; G418-I474 PolarHBondContact O-N 3.42Å
419V50.4Low57.6Low94 Ų9489.4 Ų89.457%0.5751%0.505SS*.EExtended strand (participates in β ladder)trans-78.4103.7161.3-179.10000107.8P471 L473V419-P471 HydrophobicContact CG1-CB 3.52Å; V419-L473 HydrophobicContact CG2-CD1 3.84Å
420V48.1Very low55.1Low68 Ų6890.6 Ų90.641%0.41251%0.509SS..EExtended strand (participates in β ladder)trans-95.1122.3176.2178.30000108.8G418 V422 K472 I474G418-V420 PolarHBondContact O-N 3.01Å; V420-V422 VanDerWaalsContact C-N 3.35Å; V420-V422 HydrophobicContact CG1-CG2 4.43Å; V420-V422 PolarHBondContact O-N 3Å; V420-K472 PolarHBondContact N-O 2.94Å; V420-K472 PolarHBondContact O-N 2.74Å; V420-I474 HydrophobicContact CB-CD1 3.73Å; V420-I474 HydrophobicContact CB-CG1 4.13Å; V420-I474 HydrophobicContact CG1-CD1 4.32Å; V420-I474 HydrophobicContact CG2-CB 4.46Å; V420-I474 HydrophobicContact CG2-CD1 3.69Å; V420-I474 HydrophobicContact CG2-CG1 4.1Å
421N56.7Low53.1Low91 Ų9193.4 Ų93.449%0.48752%0.516SS..EExtended strand (participates in β ladder)trans-70.890.5172.3-74.4-16000109.3L423 I469N421-L423 PolarHBondContact O-N 3.39Å; N421-I469 HydrophobicContact CB-CG2 3.76Å
422V52.9Low50.7Low51 Ų5198.4 Ų98.431%0.30954%0.543SS..EExtended strand (participates in β ladder)trans-73.5113176.2179.70000107.8V420 K424 I468 Q470 K472V420-V422 VanDerWaalsContact C-N 3.35Å; V420-V422 HydrophobicContact CG1-CG2 4.43Å; V420-V422 PolarHBondContact O-N 3Å; V422-K424 PolarHBondContact O-N 3.05Å; V422-I468 VanDerWaalsContact O-O 3.06Å; V422-Q470 PolarHBondContact N-O 2.85Å; V422-Q470 PolarHBondContact O-N 3.21Å; V422-K472 HydrophobicContact CG2-CB 3.67Å; V422-K472 HydrophobicContact CG2-CD 4.1Å
423L48.3Very low48.6Very low110 Ų110104.9 Ų104.958%0.57658%0.575SS**EExtended strand (participates in β ladder)trans-80.3110.7175-61-176.9000108.7N421 A467 I469N421-L423 PolarHBondContact O-N 3.39Å; L423-A467 HydrophobicContact CB-CB 3.92Å; L423-A467 HydrophobicContact CD1-CB 4.49Å; L423-A467 HydrophobicContact CD2-CB 4.07Å; L423-A467 HydrophobicContact CG-CB 4.38Å; L423-I469 HydrophobicContact CD2-CG1 3.58Å
424K50.2Low46.7Very low106 Ų106104.8 Ų104.846%0.46159%0.591SS.*EExtended strand (participates in β ladder)trans-91.2145167.2-83.4179.5179.2161.60110.9V422 A467 I468V422-K424 PolarHBondContact O-N 3.05Å; K424-A467 WeakPolarHBondContact O-CA 3.47Å; K424-I468 HydrophobicContact CB-CB 4.49Å; K424-I468 PolarHBondContact N-O 3.24Å; K424-I468 VanDerWaalsContact N-O 3.11Å; K424-I468 PolarHBondContact O-N 3.33Å
425P45.9Very low45Very low106 Ų106104 Ų10469%0.68859%0.591SS**PPolyproline II helixtrans-54.5147.6164.4-20.832.2000110.5
426P45.5Very low43.9Very low81 Ų81108.9 Ų108.953%0.52662%0.62SS.*PPolyproline II helixtrans-58.2147.5167.326.8-33.5000110N428P426-N428 PolarHBondContact O-N 2.85Å
427L45Very low43.1Very low153 Ų153115.5 Ų115.580%0.80163%0.632SS**PPolyproline II helixtrans-64.2121-179.6-71.9162.9000110V429L427-V429 PolarHBondContact O-N 2.91Å; L427-V429 VanDerWaalsContact O-N 3.14Å
428N33.7Very low42.1Very low155 Ų155119.1 Ų119.183%0.82965%0.647SS**  trans-64.8111.9171.3-109.32.1000109.3P426P426-N428 PolarHBondContact O-N 2.85Å
429V37.8Very low41.5Very low124 Ų124123.1 Ų123.175%0.75267%0.668SS**  trans-109.1102.8162.9-177.20000106.1L427 N431L427-V429 PolarHBondContact O-N 2.91Å; L427-V429 VanDerWaalsContact O-N 3.14Å; V429-N431 PolarHBondContact O-N 3.06Å
430N28.8Very low40.8Very low121 Ų121126.1 Ų126.165%0.64768%0.682SS**  trans-60.5131176.4-60.3-15.5000109.5
431N34.8Very low40.4Very low152 Ų152131.5 Ų131.581%0.81370%0.699SS**  trans-172.972.5153.7-93.4-16.3000110.8V429V429-N431 PolarHBondContact O-N 3.06Å
432N30.8Very low39.4Very low119 Ų119133.2 Ų133.264%0.63671%0.707SS**  36117.5126.9-52.29.3000119.6A434N432-A434 PolarHBondContact O-N 3.45Å
433D34.9Very low38.6Very low165 Ų165141 Ų14188%0.88273%0.733SS**SBend69.812.6127.7-46.6-26.6000122.1
434A39.7Very low38.1Very low88 Ų88143.3 Ų143.373%0.72775%0.745SS**  trans-106.3-24.8-171.400000119N432N432-A434 PolarHBondContact O-N 3.45Å
435M35.9Very low37.3Very low141 Ų141145.4 Ų145.470%0.69576%0.761SS**SBendtrans-98.9-9.9-159.6-69.8-155.275.900118.4R437M435-R437 PolarHBondContact O-N 3.28Å
436D40.6Very low36.5Very low172 Ų172150.1 Ų150.192%0.9277%0.772SS**THydrogen-bonded Turntrans-76.310.3-170.8-82.7-28.6000116.2
437R40.4Very low35.8Very low231 Ų231149.1 Ų149.187%0.87278%0.776SS**THydrogen-bonded Turntrans-113.8-9.9-176.8-64.9-172.9-169.6164.46.9116.1M435M435-R437 PolarHBondContact O-N 3.28Å
438E37.5Very low35.4Very low145 Ų145151.4 Ų151.468%0.67878%0.779SS**SBendtrans-103.7-25.9-161.1-151152.8-140.200114.8N440E438-N440 VanDerWaalsContact C-N 3.32Å; E438-N440 PolarHBondContact O-N 2.95Å
439C33.5Very low35.2Very low112 Ų112148.5 Ų148.576%0.75777%0.771SS**THydrogen-bonded Turntrans-75.5-9.5-179.9-86.20000116
440N36.3Very low34.8Very low158 Ų158149.1 Ų149.185%0.84577%0.77SS**THydrogen-bonded Turntrans-99.810.4-176.3-75.7-15.8000114.4E438E438-N440 VanDerWaalsContact C-N 3.32Å; E438-N440 PolarHBondContact O-N 2.95Å
441K39.1Very low34.9Very low181 Ų181151.6 Ų151.679%0.78778%0.777SS**SBendtrans-112.90.2-178.7-85.6-172.4171.2-174.10116Y443K441-Y443 PolarHBondContact O-N 3.49Å
442I36.8Very low34.7Very low127 Ų127149.1 Ų149.165%0.65177%0.772SS**THydrogen-bonded Turntrans-89.15.9-164.2-63.4173.6000113.5
443Y36.3Very low34.5Very low215 Ų215152.7 Ų152.784%0.84379%0.785SS**THydrogen-bonded Turntrans-103.7-13.9-174.8-89-75.6000117.2K441K441-Y443 PolarHBondContact O-N 3.49Å
444D36.6Very low34.2Very low157 Ų157149.7 Ų149.784%0.8478%0.783SS**SBendtrans-119.5-8.5-165.8-73.9-44.1000117.7
445D34.4Very low33.8Very low150 Ų150152.8 Ų152.880%0.80279%0.787SS**  trans-133.9108.2-175.6-124.1-31.3000114.3
446F29.1Very low33.4Very low206 Ų206152.2 Ų152.290%0.90480%0.797SS**  trans-129.271.6173.3-110.9-79.5000110.2
447G30.2Very low33.2Very low59 Ų59152.8 Ų152.861%0.60879%0.792SS**  trans-148.2119.9177.500000114.1
448K35.9Very low32.7Very low201 Ų201149.2 Ų149.287%0.87479%0.79SS**  trans8099.8159.3-57.4-177.6-179.5178.70120
449S30.9Very low32.3Very low94 Ų94148.4 Ų148.466%0.65780%0.8SS**  56.3114.4123.164.60000123.3
450N28.7Very low32.4Very low137 Ų137147.6 Ų147.673%0.73380%0.796SS**  80.3133.2121.1-62.710.8000123.6
451H30.9Very low32.2Very low173 Ų173148.5 Ų148.580%0.80180%0.795SS**  trans100138.8146.9-67.2-56.1000122.3
452S30Very low31.9Very low100 Ų100146.8 Ų146.870%0.69979%0.793SS**  trans66.1103.8157.846.80000121.2
453E26.8Very low31.6Very low195 Ų195151.7 Ų151.791%0.91180%0.803SS**  48.6107120-62.8175.4147.300120.4
454A28.9Very low31.4Very low102 Ų102144.6 Ų144.684%0.84379%0.786SS**  trans-160.6120.5141.100000112.1
455D30.3Very low31.2Very low152 Ų152143.2 Ų143.281%0.81379%0.788SS**  trans17.8115.5159-64.1-18.2000121.7K457D455-K457 PolarHBondContact O-N 2.96Å
456S29.4Very low31.6Very low130 Ų130140.7 Ų140.791%0.90977%0.774SS**  trans-67.1107.2164.556.90000112.7
457K35.2Very low32.1Very low183 Ų183132.7 Ų132.780%0.79675%0.747SS**  trans-108.4145.6161.8-79.3179.5177.2166.80111D455 S459D455-K457 PolarHBondContact O-N 2.96Å; K457-S459 PolarHBondContact O-N 3.15Å
458D30.4Very low33.1Very low156 Ų156133.8 Ų133.883%0.83474%0.738SS**  trans-54.1100.3-170.7-74.4-62.9000115.1S460D458-S460 PolarHBondContact O-N 2.89Å
459S29.4Very low33.7Very low128 Ų128129.1 Ų129.190%0.89572%0.721SS**  trans-82.950.8168.8-680000112.2K457K457-S459 PolarHBondContact O-N 3.15Å
460S34.4Very low34.6Very low96 Ų96129 Ų12967%0.67171%0.71SS**  trans-10739.6-17969.30000113.4D458D458-S460 PolarHBondContact O-N 2.89Å
461Q32.2Very low35.6Very low176 Ų176126.7 Ų126.782%0.82270%0.703SS**  trans-103.770.8-179.1-155.4162.91400111.9W463Q461-W463 PolarHBondContact O-N 3.25Å; Q461-W463 VanDerWaalsContact O-N 3.15Å
462I33.6Very low36.4Very low146 Ų146124.5 Ų124.575%0.74969%0.691SS**  trans-67110.9175.3-64172.7000109.4S464I462-S464 PolarHBondContact O-N 2.61Å; I462-S464 PolarHBondContact O-OG 3.44Å
463W30.1Very low37.4Very low229 Ų229122.4 Ų122.487%0.86767%0.672SS**  trans-52.9109.6171.7-66.8-30.1000110.6Q461Q461-W463 PolarHBondContact O-N 3.25Å; Q461-W463 VanDerWaalsContact O-N 3.15Å
464S33.2Very low38.4Very low67 Ų67116.7 Ų116.747%0.46965%0.646SS.*  trans-127.7100.5-177.732.40000108.7I462 N466I462-S464 PolarHBondContact O-N 2.61Å; I462-S464 PolarHBondContact O-OG 3.44Å; S464-N466 VanDerWaalsContact CB-ND2 3.29Å; S464-N466 WeakPolarHBondContact CB-ND2 3.24Å; S464-N466 PolarHBondContact O-N 2.93Å
465S31.7Very low39.6Very low127 Ų127114.7 Ų114.789%0.88862%0.622SS**  trans-67.926.6163.851.60000112.5A467S465-A467 PolarHBondContact O-N 3.43Å
466N41.8Very low40.7Very low97 Ų97109.1 Ų109.152%0.51960%0.596SS.*  trans-85.5104.3178.7-61.8-43.9000107.7S464 I468S464-N466 VanDerWaalsContact CB-ND2 3.29Å; S464-N466 WeakPolarHBondContact CB-ND2 3.24Å; S464-N466 PolarHBondContact O-N 2.93Å; N466-I468 PolarHBondContact O-N 3.47Å
467A40.4Very low41.8Very low39 Ų39109.9 Ų109.932%0.32259%0.586SS.*  trans-53.6135.6163.600000109.3L423 K424 S465 I469L423-A467 HydrophobicContact CB-CB 3.92Å; L423-A467 HydrophobicContact CD1-CB 4.49Å; L423-A467 HydrophobicContact CD2-CB 4.07Å; L423-A467 HydrophobicContact CG-CB 4.38Å; K424-A467 WeakPolarHBondContact O-CA 3.47Å; S465-A467 PolarHBondContact O-N 3.43Å; A467-I469 PolarHBondContact O-N 2.86Å
468I50.9Low42.8Very low82 Ų82108.7 Ų108.742%0.42158%0.577SS.*EExtended strand (participates in β ladder)trans-71.7107.4-175.7-58.9174.6000107.3V422 K424 N466 Q470V422-I468 VanDerWaalsContact O-O 3.06Å; K424-I468 HydrophobicContact CB-CB 4.49Å; K424-I468 PolarHBondContact N-O 3.24Å; K424-I468 VanDerWaalsContact N-O 3.11Å; K424-I468 PolarHBondContact O-N 3.33Å; N466-I468 PolarHBondContact O-N 3.47Å; I468-Q470 HydrophobicContact CG2-CG 4.09Å; I468-Q470 PolarHBondContact O-N 2.95Å; I468-Q470 VanDerWaalsContact O-N 3.11Å
469I48.7Very low44.4Very low103 Ų103102.2 Ų102.253%0.52854%0.544SS..EExtended strand (participates in β ladder)trans-72.2100174-65.2166000107.8N421 L423 A467 P471N421-I469 HydrophobicContact CB-CG2 3.76Å; L423-I469 HydrophobicContact CD2-CG1 3.58Å; A467-I469 PolarHBondContact O-N 2.86Å; I469-P471 WeakPolarHBondContact O-CD 3.24Å
470Q50.7Low46.1Very low91 Ų9199.4 Ų99.443%0.42553%0.525SS..EExtended strand (participates in β ladder)trans-95.3108.5163.7-65.9-162.1-59.900108.3V422 I468 K472V422-Q470 PolarHBondContact N-O 2.85Å; V422-Q470 PolarHBondContact O-N 3.21Å; I468-Q470 HydrophobicContact CG2-CG 4.09Å; I468-Q470 PolarHBondContact O-N 2.95Å; I468-Q470 VanDerWaalsContact O-N 3.11Å; Q470-K472 PolarHBondContact O-N 3.49Å
471P49.6Very low47.7Very low89 Ų8997.4 Ų97.458%0.57851%0.506SS*.EExtended strand (participates in β ladder)trans-65.9101.8171.226.8-32000108.6V419 I469V419-P471 HydrophobicContact CG1-CB 3.52Å; I469-P471 WeakPolarHBondContact O-CD 3.24Å
472K46.7Very low49.7Very low127 Ų12791.3 Ų91.355%0.55248%0.477SS*.EExtended strand (participates in β ladder)trans-93.2119.9175.8-170177.3-179.1-177.50108V420 V422 Q470 I474V420-K472 PolarHBondContact N-O 2.94Å; V420-K472 PolarHBondContact O-N 2.74Å; V422-K472 HydrophobicContact CG2-CB 3.67Å; V422-K472 HydrophobicContact CG2-CD 4.1Å; Q470-K472 PolarHBondContact O-N 3.49Å; K472-I474 HydrophobicContact CG-CG1 4.4Å; K472-I474 PolarHBondContact O-N 3.48Å; K472-I474 VanDerWaalsContact O-N 3.16Å
473L50.6Low51.7Low56 Ų5684.8 Ų84.829%0.29344%0.444SS..EExtended strand (participates in β ladder)trans-64.4114.8165.1-16973.5000107.5V419 N475 Y853V419-L473 HydrophobicContact CG2-CD1 3.84Å; L473-N475 VanDerWaalsContact CD2-OD1 3.26Å; L473-N475 WeakPolarHBondContact CD2-OD1 3.32Å; L473-N475 WeakPolarHBondContact CG-OD1 3.47Å; L473-Y853 HydrophobicContact CD2-CE1 4.28Å
474I47.9Very low53.9Low74 Ų7477.1 Ų77.138%0.37942%0.418SS..EExtended strand (participates in β ladder)trans-104.297.7169-56.2-169.1000105.6G418 V420 K472G418-I474 PolarHBondContact N-O 3.34Å; G418-I474 VanDerWaalsContact N-O 3.09Å; G418-I474 PolarHBondContact O-N 3.42Å; V420-I474 HydrophobicContact CB-CD1 3.73Å; V420-I474 HydrophobicContact CB-CG1 4.13Å; V420-I474 HydrophobicContact CG1-CD1 4.32Å; V420-I474 HydrophobicContact CG2-CB 4.46Å; V420-I474 HydrophobicContact CG2-CD1 3.69Å; V420-I474 HydrophobicContact CG2-CG1 4.1Å; K472-I474 HydrophobicContact CG-CG1 4.4Å; K472-I474 PolarHBondContact O-N 3.48Å; K472-I474 VanDerWaalsContact O-N 3.16Å
475N54.1Low55.8Low61 Ų6174.8 Ų74.833%0.32640%0.4SS..  trans-58.6143166.5-629.3000108D417 L473 Q477 Y853D417-N475 VanDerWaalsContact OD1-CA 3.27Å; D417-N475 WeakPolarHBondContact OD1-CA 3.42Å; L473-N475 VanDerWaalsContact CD2-OD1 3.26Å; L473-N475 WeakPolarHBondContact CD2-OD1 3.32Å; L473-N475 WeakPolarHBondContact CG-OD1 3.47Å; N475-Q477 PolarHBondContact O-N 2.96Å; N475-Y853 PolarHBondContact ND2-OH 2.79Å; N475-Y853 PolarHBondContact OD1-OH 3.2Å
476A53.3Low57.8Low34 Ų3474 Ų7428%0.28138%0.378SS..  trans-62.8103.7178.200000110.5D417 C479D417-A476 PolarHBondContact OD1-N 2.69Å; A476-C479 WeakPolarHBondContact CB-SG 3.38Å; A476-C479 PolarHBondContact O-SG 2.64Å
477Q52.9Low59.3Low146 Ų14671.9 Ų71.968%0.68236%0.362SS*.THydrogen-bonded Turntrans-63.5150.3174.5-70.2-173.8-25.200109.7N475 C479N475-Q477 PolarHBondContact O-N 2.96Å; Q477-C479 VanDerWaalsContact C-N 3.27Å; Q477-C479 PolarHBondContact O-N 3.36Å
478Y57.2Low60.8Low158 Ų15876.3 Ų76.362%0.6237%0.374SS*.THydrogen-bonded Turntrans68.57.5-178.7-41.6-75.7000116.4S480 N481 F482Y478-S480 PolarHBondContact O-N 3.11Å; Y478-N481 WeakPolarHBondContact O-CB 3.26Å; Y478-N481 PolarHBondContact O-N 3.42Å; Y478-F482 VanDerWaalsContact O-CD2 3.26Å; Y478-F482 WeakPolarHBondContact O-CD2 3.43Å; Y478-F482 WeakPolarHBondContact O-CE2 3.43Å
479C63.5Low61.8Low21 Ų2177.5 Ų77.514%0.14238%0.381CS..G310 helixtrans-52.9-36.9173-75.90000113.7H415 A476 Q477 N481 F482 H484 H494H415-C479 PolarHBondContact CE1-SG 2.93Å; H415-C479 PolarHBondContact ND1-SG 3.3Å; A476-C479 WeakPolarHBondContact CB-SG 3.38Å; A476-C479 PolarHBondContact O-SG 2.64Å; Q477-C479 VanDerWaalsContact C-N 3.27Å; Q477-C479 PolarHBondContact O-N 3.36Å; C479-N481 PolarHBondContact O-N 3.32Å; C479-F482 PolarHBondContact O-N 3.28Å; C479-F482 VanDerWaalsContact O-N 3.16Å; C479-H484 PolarHBondContact O-CE1 3.39Å; C479-H494 WeakPolarHBondContact CA-NE2 3.2Å; C479-H494 WeakPolarHBondContact CB-NE2 3.24Å; C479-H494 PolarHBondContact O-NE2 3.04Å; C479-H494 PolarHBondContact SG-NE2 3.15Å
480S64.6Low62.8Low69 Ų6973.6 Ų73.648%0.48337%0.367SS..G310 helixtrans-55.2-19.6174.550.90000114.6Y478Y478-S480 PolarHBondContact O-N 3.11Å
481N68.9Low63.6Low54 Ų5473.5 Ų73.529%0.28937%0.369SS..G310 helixtrans-91.6-1.8-175.3-57.10000112.6Y478 C479Y478-N481 WeakPolarHBondContact O-CB 3.26Å; Y478-N481 PolarHBondContact O-N 3.42Å; C479-N481 PolarHBondContact O-N 3.32Å
482F73.2Confident64.6Low48 Ų4872.8 Ų72.821%0.21136%0.359CS..SBendtrans-121.3148-177.1-59.8-82.8000112.2F413 Y478 C479 H484 H494 Q496 L734F413-F482 AromaticContact CE1-CD1 3.86Å; F413-F482 HydrophobicContact CE1-CD1 3.86Å; F413-F482 AromaticContact CE1-CE1 3.88Å; F413-F482 HydrophobicContact CE1-CE1 3.88Å; F413-F482 HydrophobicContact CE1-CG 4.33Å; F413-F482 HydrophobicContact CE1-CZ 4.38Å; F413-F482 AromaticContact CZ-CD1 3.75Å; F413-F482 HydrophobicContact CZ-CD1 3.75Å; F413-F482 AromaticContact CZ-CD2 3.91Å; F413-F482 HydrophobicContact CZ-CD2 3.91Å; F413-F482 AromaticContact CZ-CE1 3.74Å; F413-F482 HydrophobicContact CZ-CE1 3.74Å; F413-F482 AromaticContact CZ-CE2 3.91Å; F413-F482 HydrophobicContact CZ-CE2 3.91Å; F413-F482 AromaticContact CZ-CG 3.84Å; F413-F482 HydrophobicContact CZ-CG 3.84Å; F413-F482 AromaticContact CZ-CZ 3.82Å; F413-F482 HydrophobicContact CZ-CZ 3.82Å; Y478-F482 VanDerWaalsContact O-CD2 3.26Å; Y478-F482 WeakPolarHBondContact O-CD2 3.43Å; Y478-F482 WeakPolarHBondContact O-CE2 3.43Å; C479-F482 PolarHBondContact O-N 3.28Å; C479-F482 VanDerWaalsContact O-N 3.16Å; F482-H484 PolarHBondContact O-CE1 3.39Å; F482-H484 PolarHBondContact O-ND1 3.22Å; F482-H494 HydrophobicContact CB-CB 3.85Å; F482-H494 WeakPolarHBondContact CB-CE1 3.47Å; F482-H494 HydrophobicContact CG-CB 4.26Å; F482-Q496 HydrophobicContact CD1-CB 4.28Å; F482-L734 WeakPolarHBondContact O-CD1 3.49Å
483V76.9Confident66Low9 Ų967 Ų676%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-74.1134.9174.3-177.10000108.3H494 V495 L727 E730 C731 L734 F819V483-H494 CarbonylContact O-C 3.6Å; V483-H494 WeakPolarHBondContact O-CA 3.41Å; V483-V495 PolarHBondContact N-O 3.46Å; V483-V495 PolarHBondContact O-N 3.49Å; V483-L727 HydrophobicContact CG1-CD2 3.77Å; V483-E730 HydrophobicContact CG1-CB 4.31Å; V483-E730 HydrophobicContact CG2-CB 3.63Å; V483-C731 HydrophobicContact CG2-CB 4.27Å; V483-C731 WeakPolarHBondContact CG2-SG 3.19Å; V483-L734 HydrophobicContact CB-CD1 4.47Å; V483-L734 HydrophobicContact CG2-CD1 3.74Å; V483-F819 HydrophobicContact CG1-CE1 4.45Å
484H75.1Confident67.3Low67 Ų6764.5 Ų64.531%0.3132%0.322SS..EExtended strand (participates in β ladder)trans-99.8127.6179.6-63.567.7000109.1C479 F482 I492 V493 H494C479-H484 PolarHBondContact O-CE1 3.39Å; F482-H484 PolarHBondContact O-CE1 3.39Å; F482-H484 PolarHBondContact O-ND1 3.22Å; H484-I492 HydrophobicContact CB-CG2 3.96Å; H484-V493 WeakPolarHBondContact CA-O 3.44Å; H484-H494 AromaticContact CD2-CE1 3.43Å; H484-H494 PolarHBondContact CD2-CE1 2.84Å; H484-H494 VanDerWaalsContact CD2-CE1 3.43Å; H484-H494 AromaticContact CD2-ND1 3.76Å; H484-H494 AromaticContact CD2-NE2 3.21Å; H484-H494 PolarHBondContact CD2-NE2 2.87Å; H484-H494 AromaticContact CE1-CE1 3.19Å; H484-H494 PolarHBondContact CE1-CE1 2.87Å; H484-H494 AromaticContact CE1-ND1 3.8Å; H484-H494 AromaticContact CE1-NE2 3.1Å; H484-H494 PolarHBondContact CE1-NE2 3.44Å; H484-H494 AromaticContact CG-CE1 3.53Å; H484-H494 AromaticContact ND1-CE1 3.36Å; H484-H494 PolarHBondContact ND1-CE1 2.9Å; H484-H494 AromaticContact NE2-CE1 3.22Å; H484-H494 PolarHBondContact NE2-CE1 3.05Å; H484-H494 AromaticContact NE2-ND1 3.52Å; H484-H494 AromaticContact NE2-NE2 2.4Å; H484-H494 PolarHBondContact NE2-NE2 3.44Å
485I73.3Confident68.9Low19 Ų1961 Ų6110%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-122.3141.6174.8-54.6-171.4000109.7L408 V493 V495 L727L408-I485 HydrophobicContact CD1-CD1 3.94Å; L408-I485 HydrophobicContact CD1-CG2 4.21Å; L408-I485 HydrophobicContact CD2-CD1 3.86Å; I485-V493 HydrophobicContact CB-CG2 4.25Å; I485-V493 PolarHBondContact N-O 3.41Å; I485-V493 WeakPolarHBondContact O-CG2 3.28Å; I485-V493 PolarHBondContact O-N 2.82Å; I485-V495 HydrophobicContact CB-CG2 4.03Å; I485-V495 HydrophobicContact CD1-CB 3.97Å; I485-V495 HydrophobicContact CD1-CG1 4.06Å; I485-V495 HydrophobicContact CD1-CG2 3.57Å; I485-V495 HydrophobicContact CG1-CB 4.15Å; I485-V495 HydrophobicContact CG1-CG2 3.65Å; I485-L727 HydrophobicContact CD1-CD1 3.39Å; I485-L727 HydrophobicContact CD1-CD2 3.4Å; I485-L727 HydrophobicContact CD1-CG 4.02Å; I485-L727 HydrophobicContact CG1-CD2 3.9Å
486R74.1Confident70.3Confident111 Ų11162.7 Ų62.742%0.41931%0.31SS..EExtended strand (participates in β ladder)trans-83.8118.2171.2-172.7173.7171.4137.24.6110.3E874R486-E874 IonicContact CZ-OE1 3.81Å; R486-E874 IonicContact CZ-OE2 2.8Å; R486-E874 VanDerWaalsContact CZ-OE2 3.31Å; R486-E874 IonicContact NH1-OE1 3.27Å; R486-E874 IonicContact NH1-OE2 3.98Å; R486-E874 PolarHBondContact NH1-OE2 2.81Å; R486-E874 IonicContact NH2-OE1 2.9Å; R486-E874 PolarHBondContact NH2-OE1 2.94Å; R486-E874 IonicContact NH2-OE2 3.67Å; R486-E874 PolarHBondContact NH2-OE2 3.06Å
487W72.2Confident71.7Confident51 Ų5161.4 Ų61.419%0.19330%0.298CS..  trans-71.5166.4-179.5-159.9-100.2000112.7L408 V409 S412 N489 G490 N491 V493L408-W487 HydrophobicContact CB-CH2 3.89Å; L408-W487 HydrophobicContact CB-CZ3 3.62Å; L408-W487 HydrophobicContact CD1-CZ3 4.48Å; V409-W487 HydrophobicContact CB-CH2 4.35Å; V409-W487 HydrophobicContact CG2-CH2 3.58Å; V409-W487 HydrophobicContact CG2-CZ2 3.6Å; S412-W487 WeakPolarHBondContact OG-CZ3 3.46Å; W487-N489 PolarHBondContact O-N 3.25Å; W487-G490 PolarHBondContact O-N 2.9Å; W487-N491 WeakPolarHBondContact CB-O 3.5Å; W487-N491 PolarHBondContact N-O 3.37Å; W487-V493 HydrophobicContact CE3-CG1 4.21Å; W487-V493 HydrophobicContact CE3-CG2 3.77Å; W487-V493 HydrophobicContact CZ3-CG2 4.29Å
488K72.9Confident73.2Confident133 Ų13356.3 Ų56.358%0.57828%0.277SS*.THydrogen-bonded Turntrans-50.5-21.9175.2-65.9-168.7-176.3177.40114D403 Y405D403-K488 IonicContact OD2-NZ 3.94Å; D403-K488 PolarHBondContact OD2-NZ 2.84Å; Y405-K488 VanDerWaalsContact CB-CE 3.49Å; Y405-K488 HydrophobicContact CD1-CD 4.38Å; Y405-K488 HydrophobicContact CD1-CG 3.69Å; Y405-K488 HydrophobicContact CD2-CD 4.18Å; Y405-K488 HydrophobicContact CD2-CG 4.13Å; Y405-K488 HydrophobicContact CE1-CG 3.58Å; Y405-K488 HydrophobicContact CE2-CD 4.37Å; Y405-K488 VanDerWaalsContact CE2-CE 3.45Å; Y405-K488 HydrophobicContact CE2-CG 4Å; Y405-K488 HydrophobicContact CG-CD 4.14Å; Y405-K488 HydrophobicContact CG-CG 3.94Å
489N71.4Confident74.4Confident106 Ų10651.2 Ų51.257%0.56726%0.263SS*.THydrogen-bonded Turntrans-10815.4-179.764.711.2000114.1W487 N491W487-N489 PolarHBondContact O-N 3.25Å; N489-N491 VanDerWaalsContact C-N 3.28Å; N489-N491 PolarHBondContact ND2-ND2 3.06Å; N489-N491 PolarHBondContact O-N 3.49Å; N489-N491 WeakPolarHBondContact OD1-CB 3.47Å; N489-N491 PolarHBondContact OD1-N 3.33Å; N489-N491 PolarHBondContact OD1-ND2 2.79Å
490G70.4Confident75.5Confident21 Ų2155.4 Ų55.422%0.21628%0.281CS..SBendtrans80.4-9.8178.400000116.1W487W487-G490 PolarHBondContact O-N 2.9Å
491N67.4Low76.5Confident90 Ų9055.5 Ų55.548%0.48127%0.274SS..  trans-69.3142.6176.3-67.9-68.9000111.4W487 N489W487-N491 WeakPolarHBondContact CB-O 3.5Å; W487-N491 PolarHBondContact N-O 3.37Å; N489-N491 VanDerWaalsContact C-N 3.28Å; N489-N491 PolarHBondContact ND2-ND2 3.06Å; N489-N491 PolarHBondContact O-N 3.49Å; N489-N491 WeakPolarHBondContact OD1-CB 3.47Å; N489-N491 PolarHBondContact OD1-N 3.33Å; N489-N491 PolarHBondContact OD1-ND2 2.79Å
492I69.8Low77.5Confident73 Ų7355.2 Ų55.237%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-82.5129173.2-57.1175.3000109.3H415 H484H415-I492 PolarHBondContact N-O 3.28Å; H484-I492 HydrophobicContact CB-CG2 3.96Å
493V76Confident78.2Confident7 Ų760.4 Ų60.44%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-118.6144.1171.3-62.50000110.2F413 H484 I485 W487 V495F413-V493 CarbonylContact O-C 3.6Å; F413-V493 WeakPolarHBondContact O-CA 3.41Å; H484-V493 WeakPolarHBondContact CA-O 3.44Å; I485-V493 HydrophobicContact CB-CG2 4.25Å; I485-V493 PolarHBondContact N-O 3.41Å; I485-V493 WeakPolarHBondContact O-CG2 3.28Å; I485-V493 PolarHBondContact O-N 2.82Å; W487-V493 HydrophobicContact CE3-CG1 4.21Å; W487-V493 HydrophobicContact CE3-CG2 3.77Å; W487-V493 HydrophobicContact CZ3-CG2 4.29Å; V493-V495 HydrophobicContact CG2-CG2 3.99Å
494H78.5Confident78.7Confident3 Ų362.6 Ų62.61%0.01430%0.304CS..EExtended strand (participates in β ladder)trans-79.1139.4165.9-64.9-63.9000109.3S412 F413 H415 C479 F482 V483 H484S412-H494 CarbonylContact C-O 3.6Å; S412-H494 WeakPolarHBondContact CA-O 3.4Å; F413-H494 HydrophobicContact CD1-CB 3.95Å; F413-H494 HydrophobicContact CD2-CB 3.9Å; F413-H494 AromaticContact CD2-CD2 3.86Å; F413-H494 HydrophobicContact CE1-CB 3.54Å; F413-H494 HydrophobicContact CE2-CB 3.5Å; F413-H494 AromaticContact CE2-CD2 3.4Å; F413-H494 VanDerWaalsContact CE2-CD2 3.4Å; F413-H494 WeakPolarHBondContact CE2-CD2 3.33Å; F413-H494 AromaticContact CE2-CG 3.69Å; F413-H494 HydrophobicContact CG-CB 4.12Å; F413-H494 HydrophobicContact CZ-CB 3.31Å; F413-H494 AromaticContact CZ-CG 3.84Å; F413-H494 PolarHBondContact N-O 2.85Å; F413-H494 PolarHBondContact O-N 2.76Å; H415-H494 AromaticContact CE1-NE2 3.98Å; H415-H494 AromaticContact ND1-NE2 3.27Å; H415-H494 PolarHBondContact ND1-NE2 3.06Å; C479-H494 WeakPolarHBondContact CA-NE2 3.2Å; C479-H494 WeakPolarHBondContact CB-NE2 3.24Å; C479-H494 PolarHBondContact O-NE2 3.04Å; C479-H494 PolarHBondContact SG-NE2 3.15Å; F482-H494 HydrophobicContact CB-CB 3.85Å; F482-H494 WeakPolarHBondContact CB-CE1 3.47Å; F482-H494 HydrophobicContact CG-CB 4.26Å; V483-H494 CarbonylContact O-C 3.6Å; V483-H494 WeakPolarHBondContact O-CA 3.41Å; H484-H494 AromaticContact CD2-CE1 3.43Å; H484-H494 PolarHBondContact CD2-CE1 2.84Å; H484-H494 VanDerWaalsContact CD2-CE1 3.43Å; H484-H494 AromaticContact CD2-ND1 3.76Å; H484-H494 AromaticContact CD2-NE2 3.21Å; H484-H494 PolarHBondContact CD2-NE2 2.87Å; H484-H494 AromaticContact CE1-CE1 3.19Å; H484-H494 PolarHBondContact CE1-CE1 2.87Å; H484-H494 AromaticContact CE1-ND1 3.8Å; H484-H494 AromaticContact CE1-NE2 3.1Å; H484-H494 PolarHBondContact CE1-NE2 3.44Å; H484-H494 AromaticContact CG-CE1 3.53Å; H484-H494 AromaticContact ND1-CE1 3.36Å; H484-H494 PolarHBondContact ND1-CE1 2.9Å; H484-H494 AromaticContact NE2-CE1 3.22Å; H484-H494 PolarHBondContact NE2-CE1 3.05Å; H484-H494 AromaticContact NE2-ND1 3.52Å; H484-H494 AromaticContact NE2-NE2 2.4Å; H484-H494 PolarHBondContact NE2-NE2 3.44Å
495V81.2Confident79.4Confident0 Ų059.7 Ų59.70%029%0.29CS..EExtended strand (participates in β ladder)trans-129.1136.5-178.1178.50000110L408 V411 V483 I485 V493 I497L408-V495 HydrophobicContact CD2-CG1 3.82Å; L408-V495 HydrophobicContact CD2-CG2 4.26Å; V411-V495 HydrophobicContact CG2-CG1 4.04Å; V411-V495 WeakPolarHBondContact O-CA 3.33Å; V483-V495 PolarHBondContact N-O 3.46Å; V483-V495 PolarHBondContact O-N 3.49Å; I485-V495 HydrophobicContact CB-CG2 4.03Å; I485-V495 HydrophobicContact CD1-CB 3.97Å; I485-V495 HydrophobicContact CD1-CG1 4.06Å; I485-V495 HydrophobicContact CD1-CG2 3.57Å; I485-V495 HydrophobicContact CG1-CB 4.15Å; I485-V495 HydrophobicContact CG1-CG2 3.65Å; V493-V495 HydrophobicContact CG2-CG2 3.99Å; V495-I497 HydrophobicContact CG1-CD1 4.21Å; V495-I497 HydrophobicContact CG1-CG1 4.1Å
496Q83Confident80.2Confident96 Ų9659.7 Ų59.745%0.44929%0.291SS..  trans-133.9107.1176.3-172.8-179.91.700110.5V411 F482 M501V411-Q496 PolarHBondContact O-N 3.33Å; V411-Q496 VanDerWaalsContact O-N 3.16Å; F482-Q496 HydrophobicContact CD1-CB 4.28Å; Q496-M501 VanDerWaalsContact O-CE 3.27Å; Q496-M501 WeakPolarHBondContact O-CE 3.41Å
497I83.3Confident81Confident8 Ų863.2 Ų63.24%0.04131%0.305CS..  trans-102.3123.3175.5-62.8157.8000108.9V411 V495 L724 L727 K728 C731V411-I497 HydrophobicContact CG2-CG1 4.31Å; V495-I497 HydrophobicContact CG1-CD1 4.21Å; V495-I497 HydrophobicContact CG1-CG1 4.1Å; I497-L724 HydrophobicContact CD1-CD1 3.39Å; I497-L724 HydrophobicContact CD1-CG 4.03Å; I497-L724 HydrophobicContact CG1-CD1 4.27Å; I497-L727 HydrophobicContact CD1-CB 3.42Å; I497-L727 VanDerWaalsContact CD1-CB 3.42Å; I497-L727 HydrophobicContact CD1-CD1 4.15Å; I497-L727 HydrophobicContact CD1-CG 4.46Å; I497-K728 HydrophobicContact CG2-CB 4.13Å; I497-C731 PolarHBondContact N-SG 3.3Å
498T83.6Confident81.9Confident39 Ų3962.8 Ų62.824%0.23930%0.303CS..  trans-87.3156.1169.4680000110.7E500 M501 Y502T498-E500 WeakPolarHBondContact CB-OE2 3.12Å; T498-E500 PolarHBondContact O-N 3.03Å; T498-E500 VanDerWaalsContact O-N 3.16Å; T498-E500 PolarHBondContact OG1-OE2 3.08Å; T498-M501 HydrophobicContact CG2-CE 4.05Å; T498-M501 PolarHBondContact O-N 3.09Å; T498-M501 VanDerWaalsContact O-N 3.13Å; T498-M501 WeakPolarHBondContact OG1-CG 3.26Å; T498-M501 PolarHBondContact OG1-N 2.89Å; T498-Y502 PolarHBondContact O-N 2.77Å
499P84.1Confident82.8Confident51 Ų5156.4 Ų56.433%0.33128%0.275SS..Hα-helixtrans-54.7-32.1174.8-26.235.7000113.3R503P499-R503 VanDerWaalsContact O-CB 3.32Å; P499-R503 WeakPolarHBondContact O-CB 3.46Å; P499-R503 WeakPolarHBondContact O-CD 3.47Å; P499-R503 WeakPolarHBondContact O-CG 3.43Å; P499-R503 PolarHBondContact O-N 3.15Å
500E85.4Confident83.9Confident108 Ų10855.9 Ų55.951%0.50527%0.269SS..Hα-helixtrans-69.1-43.6178.9-62.562.4-12800111.3T498 R503 S504T498-E500 WeakPolarHBondContact CB-OE2 3.12Å; T498-E500 PolarHBondContact O-N 3.03Å; T498-E500 VanDerWaalsContact O-N 3.16Å; T498-E500 PolarHBondContact OG1-OE2 3.08Å; E500-R503 PolarHBondContact O-N 2.71Å; E500-R503 IonicContact OE1-NH1 3.82Å; E500-S504 WeakPolarHBondContact O-CB 3.26Å; E500-S504 PolarHBondContact O-N 3.14Å
501M85.8Confident84.8Confident71 Ų7158 Ų5835%0.3528%0.281SS..Hα-helixtrans-66.6-43.1177-68.8-168.6-62.100111.3V411 Q496 T498 S504 Y505V411-M501 HydrophobicContact CB-CE 4.44Å; V411-M501 HydrophobicContact CG1-CE 3.52Å; V411-M501 HydrophobicContact CG1-SD 3.54Å; V411-M501 VanDerWaalsContact CG1-SD 3.54Å; Q496-M501 VanDerWaalsContact O-CE 3.27Å; Q496-M501 WeakPolarHBondContact O-CE 3.41Å; T498-M501 HydrophobicContact CG2-CE 4.05Å; T498-M501 PolarHBondContact O-N 3.09Å; T498-M501 VanDerWaalsContact O-N 3.13Å; T498-M501 WeakPolarHBondContact OG1-CG 3.26Å; T498-M501 PolarHBondContact OG1-N 2.89Å; M501-S504 PolarHBondContact O-N 2.73Å; M501-Y505 PolarHBondContact O-N 3.07Å
502Y89Confident85.9Confident49 Ų4954.4 Ų54.419%0.19226%0.261CS..Hα-helixtrans-61-46.8173176-96.6000112.1T498 S504 Y505 S506 L724 A725 K728T498-Y502 PolarHBondContact O-N 2.77Å; Y502-S504 VanDerWaalsContact C-N 3.3Å; Y502-S504 PolarHBondContact O-N 3.13Å; Y502-Y505 PolarHBondContact O-N 3.05Å; Y502-S506 WeakPolarHBondContact O-CB 3.22Å; Y502-S506 PolarHBondContact O-N 3.22Å; Y502-L724 HydrophobicContact CD2-CB 4.3Å; Y502-L724 HydrophobicContact CD2-CD2 4Å; Y502-L724 HydrophobicContact CD2-CG 4.07Å; Y502-L724 HydrophobicContact CE2-CB 4.39Å; Y502-A725 HydrophobicContact CE2-CB 3.84Å; Y502-K728 HydrophobicContact CD1-CD 3.65Å; Y502-K728 HydrophobicContact CD2-CB 4.36Å; Y502-K728 HydrophobicContact CD2-CD 4.25Å; Y502-K728 HydrophobicContact CE1-CD 4.23Å; Y502-K728 HydrophobicContact CG-CB 4.41Å; Y502-K728 HydrophobicContact CG-CD 3.66Å; Y502-K728 HydrophobicContact CG-CG 4.48Å
503R88.8Confident87Confident157 Ų15751.1 Ų51.159%0.59224%0.244SC*.Hα-helixtrans-59.2-40.4176.6-77165.4177.6157.8-4112.1P499 E500 R507P499-R503 VanDerWaalsContact O-CB 3.32Å; P499-R503 WeakPolarHBondContact O-CB 3.46Å; P499-R503 WeakPolarHBondContact O-CD 3.47Å; P499-R503 WeakPolarHBondContact O-CG 3.43Å; P499-R503 PolarHBondContact O-N 3.15Å; E500-R503 PolarHBondContact O-N 2.71Å; E500-R503 IonicContact OE1-NH1 3.82Å; R503-R507 WeakPolarHBondContact O-CB 3.46Å; R503-R507 PolarHBondContact O-N 3.49Å
504S87.5Confident87.8Confident55 Ų5555.7 Ų55.739%0.38527%0.268SS..Hα-helixtrans-66-51.6178-172.50000111.7E500 M501 Y502 R507 R508E500-S504 WeakPolarHBondContact O-CB 3.26Å; E500-S504 PolarHBondContact O-N 3.14Å; M501-S504 PolarHBondContact O-N 2.73Å; Y502-S504 VanDerWaalsContact C-N 3.3Å; Y502-S504 PolarHBondContact O-N 3.13Å; S504-R507 PolarHBondContact O-N 2.94Å; S504-R508 VanDerWaalsContact O-CG 3.26Å; S504-R508 WeakPolarHBondContact O-CG 3.01Å; S504-R508 PolarHBondContact O-N 3.26Å; S504-R508 VanDerWaalsContact O-N 3.12Å
505Y90.1Very high88.4Confident6 Ų656.7 Ų56.72%0.02428%0.276CS..Hα-helixtrans-59.9-49175.9178.2-101000111.9L402 L407 M501 Y502 R507 R508 M509 N720 L721 L724L402-Y505 HydrophobicContact CB-CE2 4.22Å; L402-Y505 HydrophobicContact CD2-CD2 3.53Å; L402-Y505 HydrophobicContact CD2-CE2 3.52Å; L402-Y505 HydrophobicContact CD2-CG 4.49Å; L402-Y505 HydrophobicContact CG-CE2 4.49Å; L402-Y505 PolarHBondContact O-OH 2.57Å; L407-Y505 HydrophobicContact CB-CD2 4.32Å; L407-Y505 HydrophobicContact CB-CE2 4.19Å; L407-Y505 HydrophobicContact CD1-CD1 4.35Å; L407-Y505 HydrophobicContact CD1-CD2 3.2Å; L407-Y505 HydrophobicContact CD1-CE2 3.85Å; L407-Y505 HydrophobicContact CD1-CG 3.46Å; L407-Y505 VanDerWaalsContact CD1-CG 3.46Å; L407-Y505 HydrophobicContact CG-CD2 4.36Å; M501-Y505 PolarHBondContact O-N 3.07Å; Y502-Y505 PolarHBondContact O-N 3.05Å; Y505-R507 PolarHBondContact O-N 3.12Å; Y505-R508 WeakPolarHBondContact O-CB 3.39Å; Y505-R508 PolarHBondContact O-N 3.03Å; Y505-R508 VanDerWaalsContact O-N 3.12Å; Y505-M509 HydrophobicContact CE1-CB 4.39Å; Y505-M509 HydrophobicContact CE1-CE 4.21Å; Y505-M509 HydrophobicContact CE2-CE 4.34Å; Y505-M509 VanDerWaalsContact O-CB 3.3Å; Y505-M509 WeakPolarHBondContact O-CB 3.3Å; Y505-M509 PolarHBondContact O-N 3.33Å; Y505-M509 WeakPolarHBondContact OH-CE 3.48Å; Y505-N720 WeakPolarHBondContact OH-CB 3.4Å; Y505-L721 HydrophobicContact CD1-CD2 4.3Å; Y505-L721 HydrophobicContact CE1-CD2 4.25Å; Y505-L724 HydrophobicContact CD1-CD2 3.23Å; Y505-L724 HydrophobicContact CD1-CG 4.47Å; Y505-L724 HydrophobicContact CE1-CB 4.37Å; Y505-L724 HydrophobicContact CE1-CD2 3.73Å; Y505-L724 HydrophobicContact CG-CD2 3.66Å
506S89.3Confident88.9Confident18 Ų1856.7 Ų56.713%0.12628%0.276CS..Hα-helixtrans-57.1-46.7-179.3-176.10000111.4Y502 R508 M509 H510Y502-S506 WeakPolarHBondContact O-CB 3.22Å; Y502-S506 PolarHBondContact O-N 3.22Å; S506-R508 PolarHBondContact O-N 3.27Å; S506-M509 PolarHBondContact O-N 3.37Å; S506-H510 WeakPolarHBondContact O-CB 3.49Å; S506-H510 PolarHBondContact O-N 2.89Å; S506-H510 PolarHBondContact O-ND1 3.01Å; S506-H510 PolarHBondContact OG-CE1 2.85Å; S506-H510 VanDerWaalsContact OG-CE1 3.3Å; S506-H510 PolarHBondContact OG-ND1 3.33Å
507R91.1Very high89.3Confident186 Ų18657 Ų5770%0.70228%0.277SS*.Hα-helixtrans-60.2-45.4175.7-174.9-175.4-64.9133-2.2112.3R503 S504 Y505 S511R503-R507 WeakPolarHBondContact O-CB 3.46Å; R503-R507 PolarHBondContact O-N 3.49Å; S504-R507 PolarHBondContact O-N 2.94Å; Y505-R507 PolarHBondContact O-N 3.12Å; R507-S511 WeakPolarHBondContact O-CB 3.44Å; R507-S511 PolarHBondContact O-N 2.85Å
508R92.4Very high89.7Confident41 Ų4162.2 Ų62.216%0.15530%0.3CS..Hα-helixtrans-64-41.2178.8-68.9170.343.7168.2-1.5112S367 P369 Q400 L402 S504 Y505 S506 S511 R512S367-R508 PolarHBondContact O-NH1 3.07Å; S367-R508 PolarHBondContact OG-NH1 3.36Å; S367-R508 PolarHBondContact OG-NH2 3.11Å; P369-R508 HydrophobicContact CG-CB 4.09Å; P369-R508 HydrophobicContact CG-CG 3.73Å; Q400-R508 PolarHBondContact O-NH2 3.46Å; L402-R508 HydrophobicContact CD2-CB 3.9Å; S504-R508 VanDerWaalsContact O-CG 3.26Å; S504-R508 WeakPolarHBondContact O-CG 3.01Å; S504-R508 PolarHBondContact O-N 3.26Å; S504-R508 VanDerWaalsContact O-N 3.12Å; Y505-R508 WeakPolarHBondContact O-CB 3.39Å; Y505-R508 PolarHBondContact O-N 3.03Å; Y505-R508 VanDerWaalsContact O-N 3.12Å; S506-R508 PolarHBondContact O-N 3.27Å; R508-S511 WeakPolarHBondContact O-CB 3.48Å; R508-S511 PolarHBondContact O-N 2.68Å; R508-R512 PolarHBondContact O-N 3.15Å; R508-R512 VanDerWaalsContact O-N 3.17Å
509M91.7Very high90.1Very high0 Ų060.8 Ų60.80%029%0.291CS..Hα-helixtrans-68.7-48.4180-179.358.29300111.3L397 L402 Y505 S506 S511 R512 L513 N720 L721L397-M509 HydrophobicContact CD1-CE 4.16Å; L397-M509 HydrophobicContact CD1-SD 4.32Å; L397-M509 HydrophobicContact CD2-CE 3.91Å; L397-M509 HydrophobicContact CD2-SD 3.41Å; L397-M509 WeakPolarHBondContact CD2-SD 3.49Å; L397-M509 HydrophobicContact CG-SD 4.49Å; L402-M509 HydrophobicContact CB-CE 3.83Å; L402-M509 HydrophobicContact CB-SD 4.44Å; L402-M509 HydrophobicContact CD2-CB 4.46Å; L402-M509 WeakPolarHBondContact O-CE 3.47Å; Y505-M509 HydrophobicContact CE1-CB 4.39Å; Y505-M509 HydrophobicContact CE1-CE 4.21Å; Y505-M509 HydrophobicContact CE2-CE 4.34Å; Y505-M509 VanDerWaalsContact O-CB 3.3Å; Y505-M509 WeakPolarHBondContact O-CB 3.3Å; Y505-M509 PolarHBondContact O-N 3.33Å; Y505-M509 WeakPolarHBondContact OH-CE 3.48Å; S506-M509 PolarHBondContact O-N 3.37Å; M509-S511 PolarHBondContact O-N 3.39Å; M509-R512 PolarHBondContact O-N 3Å; M509-L513 HydrophobicContact CG-CD1 4.08Å; M509-L513 HydrophobicContact CG-CG 4.37Å; M509-L513 WeakPolarHBondContact O-CG 3.31Å; M509-L513 PolarHBondContact O-N 2.89Å; M509-L513 HydrophobicContact SD-CD1 4.48Å; M509-L513 HydrophobicContact SD-CG 4.23Å; M509-N720 HydrophobicContact CE-CB 4.16Å; M509-L721 HydrophobicContact CB-CD2 3.83Å; M509-L721 HydrophobicContact CB-CG 4.27Å; M509-L721 HydrophobicContact CG-CD1 3.89Å; M509-L721 HydrophobicContact CG-CD2 3.69Å; M509-L721 HydrophobicContact CG-CG 3.56Å
510H93.1Very high90.4Very high94 Ų9458.9 Ų58.944%0.43528%0.278SS..Hα-helixtrans-56-39.2171.8-75.387.8000112S506 R512 N514S506-H510 WeakPolarHBondContact O-CB 3.49Å; S506-H510 PolarHBondContact O-N 2.89Å; S506-H510 PolarHBondContact O-ND1 3.01Å; S506-H510 PolarHBondContact OG-CE1 2.85Å; S506-H510 VanDerWaalsContact OG-CE1 3.3Å; S506-H510 PolarHBondContact OG-ND1 3.33Å; H510-R512 VanDerWaalsContact C-N 3.29Å; H510-R512 PolarHBondContact O-N 3.5Å; H510-N514 WeakPolarHBondContact O-CB 3.27Å; H510-N514 PolarHBondContact O-N 2.84Å
511S90.6Very high90.6Very high66 Ų6656.5 Ų56.546%0.46227%0.268SS..Hα-helixtrans-64.4-28.7175-173.10000113.9R507 R508 M509 A515R507-S511 WeakPolarHBondContact O-CB 3.44Å; R507-S511 PolarHBondContact O-N 2.85Å; R508-S511 WeakPolarHBondContact O-CB 3.48Å; R508-S511 PolarHBondContact O-N 2.68Å; M509-S511 PolarHBondContact O-N 3.39Å; S511-A515 PolarHBondContact O-N 3.03Å
512R90.8Very high90.7Very high15 Ų1556.3 Ų56.36%0.05727%0.268CS..Hα-helixtrans-87.1-38.3176.2-70.7-65.2177-132.15.8112.5P369 L397 Q400 L402 R508 M509 H510 N514 A515 I516P369-R512 VanDerWaalsContact CB-NH2 3.33Å; L397-R512 HydrophobicContact CD2-CB 4.26Å; Q400-R512 HydrophobicContact CB-CG 4.44Å; Q400-R512 HydrophobicContact CG-CG 4.5Å; Q400-R512 VanDerWaalsContact OE1-NE 3.1Å; L402-R512 HydrophobicContact CD1-CB 4.08Å; L402-R512 HydrophobicContact CD1-CG 3.61Å; R508-R512 PolarHBondContact O-N 3.15Å; R508-R512 VanDerWaalsContact O-N 3.17Å; M509-R512 PolarHBondContact O-N 3Å; H510-R512 VanDerWaalsContact C-N 3.29Å; H510-R512 PolarHBondContact O-N 3.5Å; R512-N514 VanDerWaalsContact C-N 3.28Å; R512-N514 PolarHBondContact O-N 2.79Å; R512-A515 WeakPolarHBondContact O-CB 3.34Å; R512-A515 PolarHBondContact O-N 3.44Å; R512-I516 WeakPolarHBondContact O-CG1 3.39Å; R512-I516 PolarHBondContact O-N 3.25Å
513L92.2Very high90.7Very high3 Ų354.3 Ų54.32%0.01626%0.261CS..Hα-helixtrans-56.5-42.3168.1-70.1174.6000111.4M509 A515 I516 K517 Y714 L718 L721M509-L513 HydrophobicContact CG-CD1 4.08Å; M509-L513 HydrophobicContact CG-CG 4.37Å; M509-L513 WeakPolarHBondContact O-CG 3.31Å; M509-L513 PolarHBondContact O-N 2.89Å; M509-L513 HydrophobicContact SD-CD1 4.48Å; M509-L513 HydrophobicContact SD-CG 4.23Å; L513-A515 VanDerWaalsContact C-N 3.33Å; L513-A515 PolarHBondContact O-N 2.81Å; L513-I516 PolarHBondContact O-N 3.47Å; L513-K517 WeakPolarHBondContact O-CB 3.48Å; L513-K517 PolarHBondContact O-N 3.04Å; L513-Y714 HydrophobicContact CB-CD2 4.19Å; L513-Y714 HydrophobicContact CB-CE2 3.79Å; L513-Y714 HydrophobicContact CD2-CD2 3.59Å; L513-Y714 HydrophobicContact CD2-CE2 3.88Å; L513-Y714 HydrophobicContact CD2-CG 3.97Å; L513-Y714 VanDerWaalsContact CD2-O 3.29Å; L513-Y714 WeakPolarHBondContact CD2-O 3.45Å; L513-Y714 HydrophobicContact CG-CE2 4.4Å; L513-Y714 WeakPolarHBondContact O-CE2 3.48Å; L513-L718 HydrophobicContact CD1-CD2 3.89Å; L513-L718 HydrophobicContact CD1-CG 4.47Å; L513-L721 HydrophobicContact CD1-CD1 3.71Å
514N92.2Very high90.6Very high104 Ų10452.9 Ų52.956%0.55626%0.256SS*.Hα-helixtrans-63.9-35.7174.1-73.5-8.2000112.9H510 R512 H518H510-N514 WeakPolarHBondContact O-CB 3.27Å; H510-N514 PolarHBondContact O-N 2.84Å; R512-N514 VanDerWaalsContact C-N 3.28Å; R512-N514 PolarHBondContact O-N 2.79Å; N514-H518 WeakPolarHBondContact O-CB 3.49Å; N514-H518 PolarHBondContact O-N 2.85Å
515A91.1Very high90.5Very high23 Ų2356 Ų5619%0.1926%0.264CS..Hα-helixtrans-70.2-43.1175.800000111.9W391 S511 R512 L513 K517 H518 R519W391-A515 HydrophobicContact CH2-CB 3.98Å; W391-A515 HydrophobicContact CZ2-CB 4.27Å; S511-A515 PolarHBondContact O-N 3.03Å; R512-A515 WeakPolarHBondContact O-CB 3.34Å; R512-A515 PolarHBondContact O-N 3.44Å; L513-A515 VanDerWaalsContact C-N 3.33Å; L513-A515 PolarHBondContact O-N 2.81Å; A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 3.27Å; A515-H518 PolarHBondContact O-N 2.89Å; A515-R519 WeakPolarHBondContact O-CB 3.19Å; A515-R519 PolarHBondContact O-N 2.85Å
516I91.5Very high90.3Very high0 Ų056.7 Ų56.70%027%0.273CS..Hα-helixtrans-60.9-43.5173.5-66.6163000110.2W391 R512 L513 R519 L520 L710 E713 Y714W391-I516 HydrophobicContact CH2-CG1 4.23Å; W391-I516 HydrophobicContact CZ3-CG1 3.91Å; R512-I516 WeakPolarHBondContact O-CG1 3.39Å; R512-I516 PolarHBondContact O-N 3.25Å; L513-I516 PolarHBondContact O-N 3.47Å; I516-R519 WeakPolarHBondContact O-CB 3.43Å; I516-R519 PolarHBondContact O-N 3.09Å; I516-L520 HydrophobicContact CG2-CD1 4.23Å; I516-L520 WeakPolarHBondContact O-CG 3.3Å; I516-L520 PolarHBondContact O-N 3.02Å; I516-L710 HydrophobicContact CG2-CB 4.1Å; I516-L710 HydrophobicContact CG2-CD2 4.12Å; I516-L710 WeakPolarHBondContact CG2-O 3.43Å; I516-E713 HydrophobicContact CD1-CB 4.34Å; I516-E713 HydrophobicContact CD1-CG 3.89Å; I516-Y714 HydrophobicContact CB-CD2 4.28Å; I516-Y714 HydrophobicContact CG2-CD2 4.04Å; I516-Y714 HydrophobicContact CG2-CG 4.49Å
517K92.3Very high90.4Very high104 Ų10455.8 Ų55.845%0.45227%0.267SS..Hα-helixtrans-61.9-48.1175.6-176.5176.8176.8179.70112L513 A515 R519 L520 D521 Y714L513-K517 WeakPolarHBondContact O-CB 3.48Å; L513-K517 PolarHBondContact O-N 3.04Å; A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 3.27Å; K517-R519 PolarHBondContact O-N 2.91Å; K517-L520 WeakPolarHBondContact O-CB 3.25Å; K517-L520 PolarHBondContact O-N 2.78Å; K517-L520 VanDerWaalsContact O-N 3.11Å; K517-D521 VanDerWaalsContact O-CG 3.25Å; K517-D521 PolarHBondContact O-N 3.49Å; K517-Y714 HydrophobicContact CB-CE2 4.11Å
518H90.9Very high90.3Very high117 Ų11748.7 Ų48.754%0.54224%0.24SC..Hα-helixtrans-59-36.8175.1-174.5-81.1000111.7N514 A515 D521 L522N514-H518 WeakPolarHBondContact O-CB 3.49Å; N514-H518 PolarHBondContact O-N 2.85Å; A515-H518 PolarHBondContact O-N 2.89Å; H518-D521 PolarHBondContact O-N 3.36Å; H518-L522 WeakPolarHBondContact O-CG 3.4Å; H518-L522 PolarHBondContact O-N 3.05Å
519R91.6Very high90.2Very high9 Ų948.9 Ų48.93%0.03424%0.242CC..Hα-helixtrans-67.6-40.1174.8-176.462.1-175-160.1-3.6112.6E383 M386 W391 A515 I516 K517 L522 L523 L710E383-R519 PolarHBondContact O-NH1 3.43Å; M386-R519 PolarHBondContact O-NH2 3.08Å; W391-R519 HydrophobicContact CD2-CG 4.17Å; W391-R519 HydrophobicContact CE3-CG 4.29Å; W391-R519 HydrophobicContact CH2-CB 4.29Å; W391-R519 HydrophobicContact CZ2-CB 4.29Å; W391-R519 HydrophobicContact CZ3-CB 4.46Å; A515-R519 WeakPolarHBondContact O-CB 3.19Å; A515-R519 PolarHBondContact O-N 2.85Å; I516-R519 WeakPolarHBondContact O-CB 3.43Å; I516-R519 PolarHBondContact O-N 3.09Å; K517-R519 PolarHBondContact O-N 2.91Å; R519-L522 PolarHBondContact O-N 3.38Å; R519-L523 WeakPolarHBondContact O-CG 3.38Å; R519-L523 PolarHBondContact O-N 2.8Å; R519-L523 VanDerWaalsContact O-N 3.11Å; R519-L710 HydrophobicContact CB-CD1 4.31Å; R519-L710 HydrophobicContact CG-CD1 3.61Å; R519-L710 HydrophobicContact CG-CD2 4.12Å
520L91.1Very high90.1Very high11 Ų1148.9 Ų48.96%0.05824%0.242CC..Hα-helixtrans-62.3-43.2171.3-77.3165.8000111.6I516 K517 L522 L523 R524 V707 L710 E711I516-L520 HydrophobicContact CG2-CD1 4.23Å; I516-L520 WeakPolarHBondContact O-CG 3.3Å; I516-L520 PolarHBondContact O-N 3.02Å; K517-L520 WeakPolarHBondContact O-CB 3.25Å; K517-L520 PolarHBondContact O-N 2.78Å; K517-L520 VanDerWaalsContact O-N 3.11Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L520-L522 PolarHBondContact O-N 3.02Å; L520-L523 PolarHBondContact O-N 3.12Å; L520-R524 WeakPolarHBondContact O-CD 3.19Å; L520-R524 VanDerWaalsContact O-CG 3.25Å; L520-R524 WeakPolarHBondContact O-CG 3.38Å; L520-R524 PolarHBondContact O-N 3.05Å; L520-R524 VanDerWaalsContact O-N 3.11Å; L520-V707 HydrophobicContact CD2-CB 4.45Å; L520-V707 HydrophobicContact CD2-CG1 3.94Å; L520-L710 HydrophobicContact CD1-CB 4.24Å; L520-L710 HydrophobicContact CD2-CB 3.64Å; L520-L710 HydrophobicContact CD2-CD1 4.09Å; L520-L710 HydrophobicContact CG-CB 3.79Å; L520-L710 HydrophobicContact CG-CD1 4.22Å; L520-E711 HydrophobicContact CD1-CG 3.9Å; L520-E711 HydrophobicContact CD2-CG 3.84Å
521D90.8Very high90Very high57 Ų5744.4 Ų44.431%0.30522%0.222SC..Hα-helixtrans-63.8-37.5178.1-65.3-28.5000111.3K517 H518 R524 Q525K517-D521 VanDerWaalsContact O-CG 3.25Å; K517-D521 PolarHBondContact O-N 3.49Å; H518-D521 PolarHBondContact O-N 3.36Å; D521-R524 PolarHBondContact O-N 2.83Å; D521-Q525 WeakPolarHBondContact O-CG 3.38Å; D521-Q525 PolarHBondContact O-NE2 3.31Å
522L86.8Confident89.9Confident67 Ų6741.3 Ų41.335%0.35120%0.2SC..Hα-helixtrans-65.6-35172.3-76.9172.2000113.7H518 R519 L520 R524 R528H518-L522 WeakPolarHBondContact O-CG 3.4Å; H518-L522 PolarHBondContact O-N 3.05Å; R519-L522 PolarHBondContact O-N 3.38Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L520-L522 PolarHBondContact O-N 3.02Å; L522-R524 VanDerWaalsContact C-N 3.27Å; L522-R528 WeakPolarHBondContact O-CD 3.47Å
523L88.3Confident89.9Confident8 Ų840.6 Ų40.64%0.04220%0.197CC..Hα-helixtrans-76.9-15.2176.6-69.8171.4000113S388 R519 L520 R528 E529 D706 L710S388-L523 WeakPolarHBondContact OG-CD1 3.04Å; R519-L523 WeakPolarHBondContact O-CG 3.38Å; R519-L523 PolarHBondContact O-N 2.8Å; R519-L523 VanDerWaalsContact O-N 3.11Å; L520-L523 PolarHBondContact O-N 3.12Å; L523-R528 CarbonylContact O-C 3.5Å; L523-R528 VanDerWaalsContact O-C 3.31Å; L523-E529 VanDerWaalsContact O-CA 3.24Å; L523-E529 WeakPolarHBondContact O-CA 3.5Å; L523-E529 PolarHBondContact O-N 2.77Å; L523-D706 HydrophobicContact CD1-CB 4.22Å; L523-L710 HydrophobicContact CD1-CD1 3.43Å; L523-L710 VanDerWaalsContact CD1-CD1 3.43Å
524R86.8Confident89.9Confident127 Ų12740.4 Ų40.448%0.47920%0.197SC..THydrogen-bonded Turntrans-100.316.1-179.6-69.4169.4174.3-170.3-2.2113.1L520 D521 L522 E711L520-R524 WeakPolarHBondContact O-CD 3.19Å; L520-R524 VanDerWaalsContact O-CG 3.25Å; L520-R524 WeakPolarHBondContact O-CG 3.38Å; L520-R524 PolarHBondContact O-N 3.05Å; L520-R524 VanDerWaalsContact O-N 3.11Å; D521-R524 PolarHBondContact O-N 2.83Å; L522-R524 VanDerWaalsContact C-N 3.27Å; R524-E711 IonicContact CZ-OE1 2.76Å; R524-E711 IonicContact NH2-OE1 3.47Å; R524-E711 PolarHBondContact NH2-OE1 3.41Å
525Q86.2Confident89.8Confident120 Ų12035.7 Ų35.756%0.56117%0.171SC*.SBendtrans-135.6151.9-175.9-72.2174.556.700112.2D521 R528D521-Q525 WeakPolarHBondContact O-CG 3.38Å; D521-Q525 PolarHBondContact O-NE2 3.31Å; Q525-R528 PolarHBondContact O-N 3.11Å
526G86.6Confident89.8Confident20 Ų2035.7 Ų35.721%0.20617%0.167CC..THydrogen-bonded Turntrans65.6-132.7171.600000113.1E529 K559 Q562 E566G526-E529 WeakPolarHBondContact O-CG 3.43Å; G526-K559 PolarHBondContact O-NZ 2.98Å; G526-Q562 PolarHBondContact O-OE1 3.4Å; G526-E566 VanDerWaalsContact CA-OE1 3.3Å; G526-E566 WeakPolarHBondContact CA-OE1 3.1Å
527S90Very high89.8Confident0 Ų037.9 Ų37.90%018%0.179CC..THydrogen-bonded Turntrans-75.3-23.8174.162.60000113.9E529 L530 F531 E566 Q567S527-E529 VanDerWaalsContact C-N 3.32Å; S527-E529 PolarHBondContact O-N 3.42Å; S527-L530 PolarHBondContact O-N 2.63Å; S527-F531 PolarHBondContact O-N 3.36Å; S527-E566 VanDerWaalsContact CB-OE2 3.28Å; S527-E566 WeakPolarHBondContact CB-OE2 3.35Å; S527-E566 PolarHBondContact N-OE1 2.81Å; S527-E566 PolarHBondContact N-OE2 3.28Å; S527-E566 PolarHBondContact OG-OE2 3.22Å; S527-Q567 PolarHBondContact OG-NE2 3.19Å
528R90.1Very high89.9Confident37 Ų3733.9 Ų33.914%0.1416%0.163CC..Hα-helixtrans-72.5-23.7-171.9-69.2176.2172.278.8-0.2113.6E384 L522 L523 Q525 L530 G532 E566E384-R528 PolarHBondContact O-NH2 2.99Å; E384-R528 VanDerWaalsContact O-NH2 3.14Å; L522-R528 WeakPolarHBondContact O-CD 3.47Å; L523-R528 CarbonylContact O-C 3.5Å; L523-R528 VanDerWaalsContact O-C 3.31Å; Q525-R528 PolarHBondContact O-N 3.11Å; R528-L530 VanDerWaalsContact C-N 3.26Å; R528-L530 PolarHBondContact O-N 2.91Å; R528-G532 WeakPolarHBondContact O-CA 3.45Å; R528-G532 PolarHBondContact O-N 3.45Å; R528-E566 IonicContact NH1-OE2 2.63Å
529E88.8Confident90Very high44 Ų4428.3 Ų28.321%0.20614%0.137CC..Hα-helixtrans-61.2-35.7175.771.4-172.2-127.100112.4L523 G526 S527 K559 Y689L523-E529 VanDerWaalsContact O-CA 3.24Å; L523-E529 WeakPolarHBondContact O-CA 3.5Å; L523-E529 PolarHBondContact O-N 2.77Å; G526-E529 WeakPolarHBondContact O-CG 3.43Å; S527-E529 VanDerWaalsContact C-N 3.32Å; S527-E529 PolarHBondContact O-N 3.42Å; E529-K559 WeakPolarHBondContact OE1-CE 3.44Å; E529-K559 IonicContact OE1-NZ 3.4Å; E529-K559 PolarHBondContact OE1-NZ 3.13Å; E529-K559 IonicContact OE2-NZ 2.8Å; E529-K559 PolarHBondContact OE2-NZ 2.82Å; E529-Y689 HydrophobicContact CB-CD2 4.38Å; E529-Y689 HydrophobicContact CB-CE2 4.03Å; E529-Y689 HydrophobicContact CG-CD2 4.19Å; E529-Y689 HydrophobicContact CG-CE2 3.6Å; E529-Y689 WeakPolarHBondContact O-CD2 3.43Å; E529-Y689 VanDerWaalsContact OE1-CE2 3.28Å; E529-Y689 WeakPolarHBondContact OE1-CE2 3.49Å; E529-Y689 PolarHBondContact OE1-OH 3.23Å
530L90.4Very high90.2Very high0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-97.6-52-177.3177.158.4000111.7S527 R528 F555 K559 L635 I662 F664 Y689S527-L530 PolarHBondContact O-N 2.63Å; R528-L530 VanDerWaalsContact C-N 3.26Å; R528-L530 PolarHBondContact O-N 2.91Å; L530-F555 HydrophobicContact CD2-CE1 4.31Å; L530-K559 HydrophobicContact CD2-CB 3.67Å; L530-K559 HydrophobicContact CD2-CG 3.93Å; L530-L635 HydrophobicContact CD1-CD1 4.15Å; L530-L635 HydrophobicContact CD2-CD1 3.98Å; L530-L635 HydrophobicContact CG-CD1 4.11Å; L530-I662 HydrophobicContact CD1-CG2 3.77Å; L530-I662 HydrophobicContact CG-CG2 4.41Å; L530-I662 VanDerWaalsContact O-CG2 3.24Å; L530-I662 WeakPolarHBondContact O-CG2 3.28Å; L530-F664 HydrophobicContact CD1-CB 4.41Å; L530-F664 HydrophobicContact CD1-CD2 3.53Å; L530-F664 HydrophobicContact CD1-CE2 4.29Å; L530-F664 HydrophobicContact CD1-CG 4.34Å; L530-Y689 HydrophobicContact CB-CD2 4.37Å; L530-Y689 HydrophobicContact CB-CG 4.49Å; L530-Y689 HydrophobicContact CD1-CD1 4.11Å; L530-Y689 HydrophobicContact CD1-CD2 4.48Å; L530-Y689 HydrophobicContact CD1-CG 3.8Å
531F90.8Very high90.4Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-92.2-8.7-172.2-64.7-81.6000114.2S527 I534 K559 L560 L563 L635 I662S527-F531 PolarHBondContact O-N 3.36Å; F531-I534 HydrophobicContact CB-CD1 4.38Å; F531-K559 HydrophobicContact CE2-CB 3.95Å; F531-L560 HydrophobicContact CE1-CD2 3.97Å; F531-L560 HydrophobicContact CE2-CD2 4.39Å; F531-L560 HydrophobicContact CZ-CD2 3.52Å; F531-L560 HydrophobicContact CZ-CG 3.9Å; F531-L563 HydrophobicContact CB-CD1 3.83Å; F531-L563 HydrophobicContact CB-CD2 4.32Å; F531-L563 HydrophobicContact CD1-CD2 3.72Å; F531-L563 HydrophobicContact CD2-CB 4.07Å; F531-L563 HydrophobicContact CD2-CD1 3.96Å; F531-L563 HydrophobicContact CD2-CD2 3.77Å; F531-L563 HydrophobicContact CD2-CG 4.14Å; F531-L563 HydrophobicContact CE1-CD2 3.93Å; F531-L563 HydrophobicContact CE2-CB 4.14Å; F531-L563 HydrophobicContact CE2-CD2 3.94Å; F531-L563 HydrophobicContact CE2-CG 4.5Å; F531-L563 HydrophobicContact CG-CD1 3.95Å; F531-L563 HydrophobicContact CG-CD2 3.67Å; F531-L563 HydrophobicContact CG-CG 4.31Å; F531-L563 HydrophobicContact CZ-CD2 4.05Å; F531-L635 HydrophobicContact CD1-CD1 4.49Å; F531-L635 HydrophobicContact CE1-CD1 3.66Å; F531-L635 HydrophobicContact CZ-CD1 3.89Å; F531-I662 HydrophobicContact CB-CD1 4.32Å; F531-I662 HydrophobicContact CD1-CD1 3.51Å; F531-I662 HydrophobicContact CE1-CD1 4.22Å; F531-I662 HydrophobicContact CG-CD1 4.28Å
532G88.9Confident90.7Very high1 Ų124.7 Ų24.71%0.0112%0.119CC..  trans66.4-163.7-165.600000112.8R528 Q567R528-G532 WeakPolarHBondContact O-CA 3.45Å; R528-G532 PolarHBondContact O-N 3.45Å; G532-Q567 PolarHBondContact O-NE2 3.11Å
533T91.1Very high91.1Very high0 Ų021.5 Ų21.50%010%0.102CC..  trans-87125.8171.4-62.20000110.1E384 M386 T535 R685E384-T533 WeakPolarHBondContact O-CG2 3.44Å; M386-T533 WeakPolarHBondContact O-CG2 3.49Å; T533-T535 PolarHBondContact O-N 3.3Å; T533-R685 PolarHBondContact O-NH1 2.75Å; T533-R685 PolarHBondContact O-NH2 3.24Å
534I92.1Very high91.4Very high0 Ų021.1 Ų21.10%010%0.1CC..  trans-77.5112.3175.8-50.8-57.4000110.3F531 V539 L563 Q567 L568 K571 Y633F531-I534 HydrophobicContact CB-CD1 4.38Å; I534-V539 HydrophobicContact CG2-CG1 3.94Å; I534-V539 HydrophobicContact CG2-CG2 4.42Å; I534-L563 HydrophobicContact CD1-CD1 4.21Å; I534-L563 HydrophobicContact CG1-CD1 3.94Å; I534-Q567 HydrophobicContact CG1-CB 4.21Å; I534-L568 HydrophobicContact CG1-CD2 4.24Å; I534-L568 HydrophobicContact CG2-CD2 4.3Å; I534-K571 WeakPolarHBondContact O-CE 3.46Å; I534-K571 PolarHBondContact O-NZ 3.35Å; I534-Y633 WeakPolarHBondContact CA-OH 3.38Å; I534-Y633 HydrophobicContact CD1-CD1 3.56Å; I534-Y633 HydrophobicContact CD1-CD2 4.27Å; I534-Y633 HydrophobicContact CD1-CE1 3.35Å; I534-Y633 HydrophobicContact CD1-CE2 4.12Å; I534-Y633 HydrophobicContact CD1-CG 4.04Å; I534-Y633 HydrophobicContact CG2-CE2 3.92Å
535T90Very high91.7Very high4 Ų415.3 Ų15.33%0.0258%0.078CC..  trans-90.6-34.3-170.227.90000114.8K381 Y385 S387 T533 K571 Y633 R685K381-T535 PolarHBondContact NZ-O 2.91Å; Y385-T535 WeakPolarHBondContact O-CG2 3.49Å; S387-T535 VanDerWaalsContact N-CG2 3.27Å; T533-T535 PolarHBondContact O-N 3.3Å; T535-K571 PolarHBondContact O-NZ 2.61Å; T535-Y633 PolarHBondContact N-OH 3.05Å; T535-Y633 VanDerWaalsContact N-OH 3.09Å; T535-Y633 PolarHBondContact OG1-OH 2.85Å; T535-R685 PolarHBondContact OG1-NH2 3.12Å
536E91.5Very high92Very high23 Ų239.7 Ų9.711%0.1075%0.052CC..  trans-91.4159-174.7-55.773-150.700111.5V539 K571 E630 Y633 P658 H660E536-V539 HydrophobicContact CB-CG1 3.79Å; E536-V539 WeakPolarHBondContact O-CG1 3.4Å; E536-K571 WeakPolarHBondContact O-CD 3.24Å; E536-K571 WeakPolarHBondContact O-CE 3.21Å; E536-K571 PolarHBondContact O-NZ 2.87Å; E536-E630 HydrophobicContact CB-CB 3.79Å; E536-E630 HydrophobicContact CG-CB 4.2Å; E536-Y633 VanDerWaalsContact OE2-CE2 3.27Å; E536-Y633 WeakPolarHBondContact OE2-CE2 3.47Å; E536-Y633 VanDerWaalsContact OE2-CZ 3.31Å; E536-Y633 PolarHBondContact OE2-OH 3.38Å; E536-P658 HydrophobicContact CG-CG 4.5Å; E536-H660 IonicContact OE1-CE1 3.26Å; E536-H660 PolarHBondContact OE1-CE1 2.9Å; E536-H660 IonicContact OE1-NE2 3.74Å; E536-H660 PolarHBondContact OE1-NE2 2.99Å; E536-H660 IonicContact OE2-CD2 2.72Å; E536-H660 IonicContact OE2-NE2 2.71Å; E536-H660 PolarHBondContact OE2-NE2 2.74Å
537D90.9Very high92.3Very high46 Ų4612.6 Ų12.625%0.2467%0.066CC..SBendtrans-104.6-14.1-174-63.7-27.2000114.2K571 N572 R573 E630D537-K571 WeakPolarHBondContact OD1-CD 3.47Å; D537-K571 IonicContact OD1-NZ 3.29Å; D537-K571 PolarHBondContact OD1-NZ 2.98Å; D537-N572 HydrophobicContact CB-CB 4.23Å; D537-N572 WeakPolarHBondContact CB-ND2 3.5Å; D537-N572 WeakPolarHBondContact O-CA 3.24Å; D537-N572 WeakPolarHBondContact O-CB 3.38Å; D537-N572 PolarHBondContact O-N 2.84Å; D537-R573 PolarHBondContact O-N 2.85Å; D537-E630 PolarHBondContact N-OE2 3.4Å
538N93.7Very high92.2Very high21 Ų2115.5 Ų15.511%0.1129%0.087CC..EExtended strand (participates in β ladder)trans-120.395.2172.7-65.1-59.8000109.5R573 L590 L628 E630 G631N538-R573 WeakPolarHBondContact CA-O 3.43Å; N538-R573 VanDerWaalsContact OD1-CB 3.28Å; N538-R573 WeakPolarHBondContact OD1-CB 3.24Å; N538-R573 WeakPolarHBondContact OD1-CD 3.44Å; N538-R573 VanDerWaalsContact OD1-CG 3.22Å; N538-R573 WeakPolarHBondContact OD1-CG 3.49Å; N538-L590 HydrophobicContact CB-CD1 4.19Å; N538-L628 WeakPolarHBondContact CB-O 3.27Å; N538-E630 HydrophobicContact CB-CB 4.24Å; N538-E630 HydrophobicContact CB-CG 4.02Å; N538-E630 PolarHBondContact N-OE2 3.48Å; N538-E630 PolarHBondContact ND2-OE1 3.18Å; N538-E630 PolarHBondContact O-N 3.13Å; N538-G631 PolarHBondContact O-N 2.94Å
539V94.4Very high92.2Very high0 Ų013.8 Ų13.80%08%0.08CC..EExtended strand (participates in β ladder)trans-121.7136.3-163.2-68.40000115.5I534 E536 L568 R573 L574 N575 L590 G631 Y633I534-V539 HydrophobicContact CG2-CG1 3.94Å; I534-V539 HydrophobicContact CG2-CG2 4.42Å; E536-V539 HydrophobicContact CB-CG1 3.79Å; E536-V539 WeakPolarHBondContact O-CG1 3.4Å; V539-L568 HydrophobicContact CG2-CD2 3.98Å; V539-R573 PolarHBondContact N-O 2.86Å; V539-L574 HydrophobicContact CG2-CB 4.16Å; V539-L574 CarbonylContact O-C 3.52Å; V539-L574 VanDerWaalsContact O-CA 3.28Å; V539-L574 WeakPolarHBondContact O-CA 3.25Å; V539-N575 PolarHBondContact O-N 3.38Å; V539-L590 WeakPolarHBondContact O-CD2 3.49Å; V539-G631 WeakPolarHBondContact CA-O 3.33Å; V539-Y633 HydrophobicContact CG1-CD2 4.46Å; V539-Y633 HydrophobicContact CG1-CE2 4.02Å
540Y95.3Very high92.3Very high0 Ų016.9 Ų16.90%010%0.097CC..EExtended strand (participates in β ladder)trans-99.6136.3165.7-87.2-91.2000110.9N575 I577 H589 L590 A623 D626 T629 G631 I632 Y633Y540-N575 HydrophobicContact CD1-CB 3.8Å; Y540-N575 HydrophobicContact CE1-CB 3.51Å; Y540-N575 WeakPolarHBondContact CE1-ND2 3.04Å; Y540-N575 HydrophobicContact CG-CB 4.47Å; Y540-N575 PolarHBondContact OH-ND2 3.14Å; Y540-I577 HydrophobicContact CD1-CD1 3.4Å; Y540-I577 VanDerWaalsContact CD1-CD1 3.4Å; Y540-I577 HydrophobicContact CD1-CG1 3.99Å; Y540-I577 HydrophobicContact CE1-CD1 3.7Å; Y540-I577 HydrophobicContact CE1-CG1 4.24Å; Y540-I577 HydrophobicContact CG-CD1 4.49Å; Y540-H589 WeakPolarHBondContact OH-CA 3.24Å; Y540-L590 HydrophobicContact CD2-CD1 4.23Å; Y540-L590 HydrophobicContact CD2-CD2 4.01Å; Y540-L590 HydrophobicContact CD2-CG 4.06Å; Y540-L590 HydrophobicContact CE2-CD1 3.73Å; Y540-L590 HydrophobicContact CE2-CD2 3.85Å; Y540-L590 HydrophobicContact CE2-CG 3.42Å; Y540-L590 VanDerWaalsContact CE2-CG 3.42Å; Y540-L590 PolarHBondContact OH-N 3.11Å; Y540-A623 HydrophobicContact CD1-CB 3.99Å; Y540-A623 HydrophobicContact CD2-CB 4.27Å; Y540-A623 HydrophobicContact CG-CB 3.81Å; Y540-D626 HydrophobicContact CE2-CB 3.76Å; Y540-D626 PolarHBondContact OH-OD2 3.27Å; Y540-T629 HydrophobicContact CD2-CG2 3.83Å; Y540-T629 WeakPolarHBondContact CD2-OG1 3.47Å; Y540-T629 WeakPolarHBondContact CE2-OG1 3.38Å; Y540-G631 PolarHBondContact N-O 3.21Å; Y540-I632 CarbonylContact O-C 3.33Å; Y540-I632 WeakPolarHBondContact O-CA 3.35Å; Y540-Y633 PolarHBondContact O-N 3.19Å
541I96Very high92.1Very high1 Ų121.8 Ų21.81%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-116.9109.3173.4-61.7166.7000108.7I543 L560 L563 L568 N575 F576 I577 Y633I541-I543 HydrophobicContact CG2-CD1 4.45Å; I541-I543 HydrophobicContact CG2-CG1 4.02Å; I541-L560 HydrophobicContact CG2-CD2 4.24Å; I541-L563 HydrophobicContact CD1-CD2 3.73Å; I541-L568 HydrophobicContact CD1-CD1 3.44Å; I541-L568 VanDerWaalsContact CD1-CD1 3.44Å; I541-L568 HydrophobicContact CD1-CD2 3.91Å; I541-L568 HydrophobicContact CD1-CG 4.29Å; I541-N575 PolarHBondContact N-O 3.01Å; I541-F576 HydrophobicContact CB-CD1 3.73Å; I541-F576 HydrophobicContact CB-CE1 3.93Å; I541-F576 HydrophobicContact CD1-CD1 4.2Å; I541-F576 HydrophobicContact CD1-CE1 3.53Å; I541-F576 HydrophobicContact CD1-CZ 4.08Å; I541-F576 HydrophobicContact CG1-CE1 4.31Å; I541-F576 HydrophobicContact CG2-CD1 3.96Å; I541-F576 HydrophobicContact CG2-CE1 4.05Å; I541-F576 WeakPolarHBondContact O-CA 3.43Å; I541-I577 PolarHBondContact O-N 2.74Å; I541-Y633 CarbonylContact C-O 3.55Å; I541-Y633 WeakPolarHBondContact CA-O 3.33Å
542L95.5Very high92Very high0 Ų022.3 Ų22.30%014%0.136CC..EExtended strand (participates in β ladder)trans-91.8121.2176.9-67157.4000108.9I577 F579 A619 L620 A623 I632 Y633 L634 L635L542-I577 CarbonylContact C-O 3.55Å; L542-I577 WeakPolarHBondContact CA-O 3.25Å; L542-I577 HydrophobicContact CD2-CB 3.75Å; L542-I577 HydrophobicContact CD2-CD1 3.79Å; L542-I577 HydrophobicContact CD2-CG1 4.39Å; L542-I577 HydrophobicContact CD2-CG2 3.7Å; L542-F579 HydrophobicContact CB-CD1 4.23Å; L542-F579 HydrophobicContact CB-CE1 4Å; L542-F579 HydrophobicContact CD2-CD1 4.46Å; L542-A619 HydrophobicContact CD2-CB 3.56Å; L542-A619 WeakPolarHBondContact CD2-O 3.09Å; L542-L620 HydrophobicContact CD1-CD2 3.62Å; L542-L620 HydrophobicContact CD1-CG 4.22Å; L542-A623 HydrophobicContact CD1-CB 4.48Å; L542-I632 HydrophobicContact CD1-CG2 3.29Å; L542-I632 HydrophobicContact CG-CG2 4.24Å; L542-Y633 PolarHBondContact N-O 2.9Å; L542-L634 HydrophobicContact CB-CB 4.45Å; L542-L634 HydrophobicContact CB-CD1 3.75Å; L542-L634 HydrophobicContact CD1-CB 4.39Å; L542-L634 HydrophobicContact CD1-CD1 4.23Å; L542-L635 PolarHBondContact O-N 2.9Å
543I95.5Very high92.1Very high0 Ų023.1 Ų23.10%014%0.139CC..EExtended strand (participates in β ladder)trans-118.1119.4-176.3-54.9155.5000108.3I541 T545 V556 L560 F576 I577 A578 F579 L608I541-I543 HydrophobicContact CG2-CD1 4.45Å; I541-I543 HydrophobicContact CG2-CG1 4.02Å; I543-T545 HydrophobicContact CG2-CG2 4.29Å; I543-T545 PolarHBondContact O-N 2.79Å; I543-V556 HydrophobicContact CG2-CG1 4.2Å; I543-L560 HydrophobicContact CD1-CD1 3.52Å; I543-L560 HydrophobicContact CD1-CD2 3.94Å; I543-L560 HydrophobicContact CD1-CG 4.41Å; I543-L560 HydrophobicContact CG1-CD1 4.19Å; I543-L560 HydrophobicContact CG1-CD2 4.29Å; I543-F576 HydrophobicContact CD1-CD1 4.03Å; I543-I577 PolarHBondContact N-O 2.88Å; I543-A578 WeakPolarHBondContact O-CA 3.22Å; I543-F579 VanDerWaalsContact O-CD1 3.27Å; I543-F579 WeakPolarHBondContact O-CD1 3.28Å; I543-F579 PolarHBondContact O-N 3.3Å; I543-L608 HydrophobicContact CD1-CD1 4.19Å
544D94.6Very high92.1Very high0 Ų030.7 Ų30.70%017%0.172CC..EExtended strand (participates in β ladder)trans-64.3125.8170.1-164.8-29.9000110.1S546 M549 F579 T614 L635 T636D544-S546 WeakPolarHBondContact OD1-CB 3.37Å; D544-S546 PolarHBondContact OD1-N 3.12Å; D544-S546 PolarHBondContact OD1-OG 2.85Å; D544-M549 HydrophobicContact CB-CE 4.4Å; D544-M549 HydrophobicContact CB-CG 4.04Å; D544-M549 WeakPolarHBondContact O-CE 3.37Å; D544-M549 WeakPolarHBondContact O-CG 3.38Å; D544-F579 HydrophobicContact CB-CE1 4.21Å; D544-F579 HydrophobicContact CB-CE2 4.22Å; D544-F579 HydrophobicContact CB-CZ 3.74Å; D544-F579 VanDerWaalsContact N-CE1 3.33Å; D544-T614 VanDerWaalsContact OD2-CG2 3.24Å; D544-T614 WeakPolarHBondContact OD2-CG2 3.46Å; D544-L635 VanDerWaalsContact CB-O 3.24Å; D544-L635 WeakPolarHBondContact CB-O 3.46Å; D544-L635 PolarHBondContact N-O 2.85Å; D544-T636 WeakPolarHBondContact OD2-CB 3.31Å; D544-T636 PolarHBondContact OD2-OG1 2.87Å
545T94Very high92.1Very high4 Ų432.5 Ų32.53%0.02518%0.18CC..  trans-127.726176.255.90000111I543 A578 F579 C610 G611I543-T545 HydrophobicContact CG2-CG2 4.29Å; I543-T545 PolarHBondContact O-N 2.79Å; T545-A578 HydrophobicContact CG2-CB 3.81Å; T545-F579 PolarHBondContact N-O 3.32Å; T545-F579 PolarHBondContact OG1-O 2.97Å; T545-C610 CarbonylContact O-C 3.54Å; T545-C610 VanDerWaalsContact O-CA 3.24Å; T545-C610 WeakPolarHBondContact O-CA 3.43Å; T545-G611 PolarHBondContact O-N 2.91Å
546S92.8Very high92.2Very high2 Ų232.3 Ų32.31%0.01418%0.179CC..SBendtrans-62.3176.816966.90000112D544 S548 M549 C610 T613 T614D544-S546 WeakPolarHBondContact OD1-CB 3.37Å; D544-S546 PolarHBondContact OD1-N 3.12Å; D544-S546 PolarHBondContact OD1-OG 2.85Å; S546-S548 VanDerWaalsContact C-N 3.31Å; S546-S548 PolarHBondContact O-N 3.07Å; S546-S548 PolarHBondContact OG-OG 3.28Å; S546-M549 PolarHBondContact O-N 3.42Å; S546-C610 WeakPolarHBondContact O-CB 3.33Å; S546-T613 VanDerWaalsContact CB-O 3.27Å; S546-T613 WeakPolarHBondContact CB-O 3.45Å; S546-T614 WeakPolarHBondContact CB-OG1 3.44Å; S546-T614 PolarHBondContact OG-OG1 3.21Å
547T91.5Very high92.4Very high82 Ų8233.4 Ų33.450%0.50318%0.183SC..SBendtrans-69.1-25.5-174.4-50.10000113.4L550 G612T547-L550 WeakPolarHBondContact O-CB 3.33Å; T547-L550 PolarHBondContact O-N 3.02Å; T547-G612 PolarHBondContact N-O 3.47Å; T547-G612 PolarHBondContact OG1-N 3.01Å; T547-G612 PolarHBondContact OG1-O 3.47Å
548S88.6Confident92.5Very high61 Ų6136.8 Ų36.843%0.42720%0.198SC..G310 helixtrans-66-40177.944.40000112.4S546 L550 D637S546-S548 VanDerWaalsContact C-N 3.31Å; S546-S548 PolarHBondContact O-N 3.07Å; S546-S548 PolarHBondContact OG-OG 3.28Å; S548-L550 PolarHBondContact O-N 2.88Å; S548-D637 WeakPolarHBondContact CB-OD2 3.49Å; S548-D637 VanDerWaalsContact OG-CG 3.29Å; S548-D637 PolarHBondContact OG-OD1 3.44Å; S548-D637 PolarHBondContact OG-OD2 3.48Å; S548-D637 VanDerWaalsContact OG-OD2 3.1Å
549M90.8Very high92.4Very high0 Ų036.4 Ų36.40%020%0.195CC..G310 helixtrans-64.8-9.8-179.6-70.5-72.5-78.600114.7D544 S546 S551 S552 I553 V556 L635 D637 F664D544-M549 HydrophobicContact CB-CE 4.4Å; D544-M549 HydrophobicContact CB-CG 4.04Å; D544-M549 WeakPolarHBondContact O-CE 3.37Å; D544-M549 WeakPolarHBondContact O-CG 3.38Å; S546-M549 PolarHBondContact O-N 3.42Å; M549-S551 VanDerWaalsContact C-N 3.28Å; M549-S551 PolarHBondContact O-N 3.16Å; M549-S552 PolarHBondContact O-N 3.35Å; M549-I553 PolarHBondContact O-N 3.02Å; M549-V556 HydrophobicContact CE-CG2 3.91Å; M549-L635 HydrophobicContact CE-CD2 3.42Å; M549-L635 VanDerWaalsContact CE-CD2 3.42Å; M549-D637 HydrophobicContact CG-CB 4.47Å; M549-D637 PolarHBondContact N-OD2 3.05Å; M549-D637 HydrophobicContact SD-CB 3.62Å; M549-F664 HydrophobicContact CE-CD1 4.3Å; M549-F664 HydrophobicContact SD-CD1 4.02Å; M549-F664 HydrophobicContact SD-CE1 4.49Å
550L89.1Confident92.4Very high109 Ų10936.4 Ų36.457%0.57120%0.195SC*.G310 helixtrans-57.5-34.4-173.3-17866.8000114.1T547 S548 S552 C610T547-L550 WeakPolarHBondContact O-CB 3.33Å; T547-L550 PolarHBondContact O-N 3.02Å; S548-L550 PolarHBondContact O-N 2.88Å; L550-S552 VanDerWaalsContact C-N 3.35Å; L550-C610 HydrophobicContact CB-CB 4.08Å; L550-C610 HydrophobicContact CD1-CB 3.94Å
551S86.9Confident92.4Very high103 Ų10338.7 Ų38.772%0.7221%0.207SC*.G310 helixtrans-69.5-33.6178.558.30000112.7M549M549-S551 VanDerWaalsContact C-N 3.28Å; M549-S551 PolarHBondContact O-N 3.16Å
552S88.9Confident92.2Very high12 Ų1242 Ų428%0.08422%0.223CC..THydrogen-bonded Turntrans-112-6.1-165.7-54.30000113.5M549 L550 K554 F555 V556M549-S552 PolarHBondContact O-N 3.35Å; L550-S552 VanDerWaalsContact C-N 3.35Å; S552-K554 PolarHBondContact O-N 3.23Å; S552-F555 WeakPolarHBondContact O-CB 3.34Å; S552-F555 PolarHBondContact O-N 3.07Å; S552-V556 PolarHBondContact O-N 3.46Å
553I91Very high92.2Very high17 Ų1742 Ų429%0.08722%0.223CC..Hα-helixtrans-55-28.7-179.2-169.259.7000113.8M549 K557 C610M549-I553 PolarHBondContact O-N 3.02Å; I553-K557 WeakPolarHBondContact O-CB 3.47Å; I553-K557 VanDerWaalsContact O-CG 3.27Å; I553-K557 WeakPolarHBondContact O-CG 3.32Å; I553-K557 PolarHBondContact O-N 3.4Å; I553-C610 VanDerWaalsContact CB-SG 3.59Å; I553-C610 VanDerWaalsContact CG1-SG 3.57Å
554K91.4Very high92.1Very high160 Ų16042 Ų4270%0.69622%0.223SC*.Hα-helixtrans-64.2-50.3173.7-68.1-176.8-179.7178.40111.4S552 V556 K557 E558S552-K554 PolarHBondContact O-N 3.23Å; K554-V556 PolarHBondContact O-N 3.18Å; K554-K557 WeakPolarHBondContact O-CB 3.48Å; K554-K557 PolarHBondContact O-N 3.36Å; K554-E558 PolarHBondContact O-N 3.43Å
555F91.7Very high91.9Very high37 Ų3748.5 Ų48.516%0.16225%0.248CC..Hα-helixtrans-61-44.1176.3178.7-94000111.4L530 S552 K557 E558 K559 F664 Y689L530-F555 HydrophobicContact CD2-CE1 4.31Å; S552-F555 WeakPolarHBondContact O-CB 3.34Å; S552-F555 PolarHBondContact O-N 3.07Å; F555-K557 PolarHBondContact O-N 2.61Å; F555-E558 PolarHBondContact O-N 3.37Å; F555-K559 HydrophobicContact CD1-CG 4.16Å; F555-K559 HydrophobicContact CE1-CG 3.62Å; F555-K559 HydrophobicContact CE2-CG 4.17Å; F555-K559 HydrophobicContact CZ-CD 4.09Å; F555-K559 HydrophobicContact CZ-CG 3.61Å; F555-K559 PolarHBondContact O-N 3.26Å; F555-F664 AromaticContact CD1-CE2 3.74Å; F555-F664 HydrophobicContact CD1-CE2 3.74Å; F555-F664 AromaticContact CD1-CZ 3.85Å; F555-F664 HydrophobicContact CD1-CZ 3.85Å; F555-F664 AromaticContact CE1-CE2 3.8Å; F555-F664 HydrophobicContact CE1-CE2 3.8Å; F555-F664 HydrophobicContact CE1-CZ 4.36Å; F555-Y689 HydrophobicContact CE1-CD1 4.38Å; F555-Y689 AromaticContact CE1-CE1 3.63Å; F555-Y689 HydrophobicContact CE1-CE1 3.63Å; F555-Y689 AromaticContact CZ-CE1 3.75Å; F555-Y689 HydrophobicContact CZ-CE1 3.75Å; F555-Y689 AromaticContact CZ-CZ 3.68Å; F555-Y689 WeakPolarHBondContact CZ-OH 3.12Å
556V93.1Very high91.7Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-61.5-42.1177176.70000111.3I543 M549 S552 K554 K559 L560 L635 F664I543-V556 HydrophobicContact CG2-CG1 4.2Å; M549-V556 HydrophobicContact CE-CG2 3.91Å; S552-V556 PolarHBondContact O-N 3.46Å; K554-V556 PolarHBondContact O-N 3.18Å; V556-K559 PolarHBondContact O-N 2.9Å; V556-L560 HydrophobicContact CG1-CD1 3.91Å; V556-L560 HydrophobicContact CG1-CG 4.37Å; V556-L560 WeakPolarHBondContact O-CB 3.45Å; V556-L560 WeakPolarHBondContact O-CG 3.49Å; V556-L560 PolarHBondContact O-N 2.86Å; V556-L635 HydrophobicContact CG1-CD1 4.44Å; V556-L635 HydrophobicContact CG1-CD2 4.39Å; V556-F664 HydrophobicContact CG2-CD1 4.3Å; V556-F664 HydrophobicContact CG2-CE1 3.94Å; V556-F664 HydrophobicContact CG2-CZ 4.05Å
557K94Very high91.7Very high46 Ų4651.4 Ų51.420%0.226%0.261CS..Hα-helixtrans-59.3-48.8172.7-76.9176.5-178.3-171.90112I553 K554 F555 K559 L560 L561 I605 E606 L608I553-K557 WeakPolarHBondContact O-CB 3.47Å; I553-K557 VanDerWaalsContact O-CG 3.27Å; I553-K557 WeakPolarHBondContact O-CG 3.32Å; I553-K557 PolarHBondContact O-N 3.4Å; K554-K557 WeakPolarHBondContact O-CB 3.48Å; K554-K557 PolarHBondContact O-N 3.36Å; F555-K557 PolarHBondContact O-N 2.61Å; K557-K559 VanDerWaalsContact C-N 3.32Å; K557-K559 PolarHBondContact O-N 3.44Å; K557-L560 PolarHBondContact O-N 3.01Å; K557-L561 WeakPolarHBondContact O-CG 3.48Å; K557-L561 PolarHBondContact O-N 2.96Å; K557-I605 HydrophobicContact CB-CG2 4.31Å; K557-I605 WeakPolarHBondContact CE-O 3.39Å; K557-I605 HydrophobicContact CG-CG2 4.06Å; K557-E606 PolarHBondContact NZ-O 3.09Å; K557-L608 VanDerWaalsContact CE-O 3.25Å; K557-L608 WeakPolarHBondContact CE-O 3.45Å; K557-L608 PolarHBondContact NZ-O 3.33Å
558E92.9Very high91.7Very high117 Ų11747.5 Ų47.555%0.54724%0.237SC..Hα-helixtrans-59.4-42.6178.4-71.7173.5-164.300112K554 F555 L561 Q562K554-E558 PolarHBondContact O-N 3.43Å; F555-E558 PolarHBondContact O-N 3.37Å; E558-L561 PolarHBondContact O-N 2.88Å; E558-Q562 WeakPolarHBondContact O-CG 3.47Å; E558-Q562 PolarHBondContact O-N 2.85Å
559K92.8Very high91.7Very high14 Ų1449.9 Ų49.96%0.06124%0.24CC..Hα-helixtrans-69.5-33.4175.9-69.6-58.4-165.8175.60113.5G526 E529 L530 F531 F555 V556 K557 Q562 L563G526-K559 PolarHBondContact O-NZ 2.98Å; E529-K559 WeakPolarHBondContact OE1-CE 3.44Å; E529-K559 IonicContact OE1-NZ 3.4Å; E529-K559 PolarHBondContact OE1-NZ 3.13Å; E529-K559 IonicContact OE2-NZ 2.8Å; E529-K559 PolarHBondContact OE2-NZ 2.82Å; L530-K559 HydrophobicContact CD2-CB 3.67Å; L530-K559 HydrophobicContact CD2-CG 3.93Å; F531-K559 HydrophobicContact CE2-CB 3.95Å; F555-K559 HydrophobicContact CD1-CG 4.16Å; F555-K559 HydrophobicContact CE1-CG 3.62Å; F555-K559 HydrophobicContact CE2-CG 4.17Å; F555-K559 HydrophobicContact CZ-CD 4.09Å; F555-K559 HydrophobicContact CZ-CG 3.61Å; F555-K559 PolarHBondContact O-N 3.26Å; V556-K559 PolarHBondContact O-N 2.9Å; K557-K559 VanDerWaalsContact C-N 3.32Å; K557-K559 PolarHBondContact O-N 3.44Å; K559-Q562 VanDerWaalsContact CD-OE1 3.29Å; K559-Q562 PolarHBondContact O-N 3.38Å; K559-L563 WeakPolarHBondContact O-CB 3.46Å; K559-L563 PolarHBondContact O-N 3.11Å
560L94.9Very high91.5Very high0 Ų056.2 Ų56.20%027%0.265CS..Hα-helixtrans-65.6-38.3172-74.8164.9000111.9F531 I541 I543 V556 K557 L563 I564 F576 I605F531-L560 HydrophobicContact CE1-CD2 3.97Å; F531-L560 HydrophobicContact CE2-CD2 4.39Å; F531-L560 HydrophobicContact CZ-CD2 3.52Å; F531-L560 HydrophobicContact CZ-CG 3.9Å; I541-L560 HydrophobicContact CG2-CD2 4.24Å; I543-L560 HydrophobicContact CD1-CD1 3.52Å; I543-L560 HydrophobicContact CD1-CD2 3.94Å; I543-L560 HydrophobicContact CD1-CG 4.41Å; I543-L560 HydrophobicContact CG1-CD1 4.19Å; I543-L560 HydrophobicContact CG1-CD2 4.29Å; V556-L560 HydrophobicContact CG1-CD1 3.91Å; V556-L560 HydrophobicContact CG1-CG 4.37Å; V556-L560 WeakPolarHBondContact O-CB 3.45Å; V556-L560 WeakPolarHBondContact O-CG 3.49Å; V556-L560 PolarHBondContact O-N 2.86Å; K557-L560 PolarHBondContact O-N 3.01Å; L560-L563 HydrophobicContact CD2-CD2 4.45Å; L560-L563 WeakPolarHBondContact O-CB 3.17Å; L560-L563 PolarHBondContact O-N 3.33Å; L560-I564 WeakPolarHBondContact O-CG1 3.4Å; L560-I564 PolarHBondContact O-N 2.87Å; L560-F576 HydrophobicContact CD2-CD1 4.5Å; L560-F576 HydrophobicContact CD2-CE1 3.97Å; L560-I605 HydrophobicContact CB-CD1 4.24Å; L560-I605 HydrophobicContact CB-CG2 4.08Å; L560-I605 HydrophobicContact CD1-CG2 4.1Å
561L94.3Very high91.6Very high47 Ų4751.2 Ų51.225%0.24624%0.238CC..Hα-helixtrans-64.5-44173.1-64.4175.6000111.3K557 E558 L563 I564 Y565 I602K557-L561 WeakPolarHBondContact O-CG 3.48Å; K557-L561 PolarHBondContact O-N 2.96Å; E558-L561 PolarHBondContact O-N 2.88Å; L561-L563 VanDerWaalsContact C-N 3.33Å; L561-L563 PolarHBondContact O-N 3.39Å; L561-I564 PolarHBondContact O-N 2.63Å; L561-Y565 WeakPolarHBondContact O-CD2 3.4Å; L561-Y565 PolarHBondContact O-N 2.83Å; L561-I602 HydrophobicContact CD2-CB 4.17Å; L561-I602 HydrophobicContact CD2-CG1 3.82Å; L561-I602 HydrophobicContact CD2-CG2 3.78Å
562Q92.7Very high91.8Very high72 Ų7250.8 Ų50.834%0.33623%0.228SC..Hα-helixtrans-58.7-44172.4-70.71768.700111.4G526 E558 K559 I564 Y565 E566G526-Q562 PolarHBondContact O-OE1 3.4Å; E558-Q562 WeakPolarHBondContact O-CG 3.47Å; E558-Q562 PolarHBondContact O-N 2.85Å; K559-Q562 VanDerWaalsContact CD-OE1 3.29Å; K559-Q562 PolarHBondContact O-N 3.38Å; Q562-I564 VanDerWaalsContact C-N 3.34Å; Q562-I564 PolarHBondContact O-N 3.49Å; Q562-Y565 PolarHBondContact O-N 3.31Å; Q562-E566 VanDerWaalsContact O-CB 3.29Å; Q562-E566 WeakPolarHBondContact O-CB 3.19Å; Q562-E566 WeakPolarHBondContact O-CG 3.37Å; Q562-E566 PolarHBondContact O-N 2.92Å
563L94.1Very high92.1Very high0 Ų055 Ų550%024%0.242CC..Hα-helixtrans-60.7-40.3178.6-175.169.4000112.7F531 I534 I541 K559 L560 L561 Q567 L568F531-L563 HydrophobicContact CB-CD1 3.83Å; F531-L563 HydrophobicContact CB-CD2 4.32Å; F531-L563 HydrophobicContact CD1-CD2 3.72Å; F531-L563 HydrophobicContact CD2-CB 4.07Å; F531-L563 HydrophobicContact CD2-CD1 3.96Å; F531-L563 HydrophobicContact CD2-CD2 3.77Å; F531-L563 HydrophobicContact CD2-CG 4.14Å; F531-L563 HydrophobicContact CE1-CD2 3.93Å; F531-L563 HydrophobicContact CE2-CB 4.14Å; F531-L563 HydrophobicContact CE2-CD2 3.94Å; F531-L563 HydrophobicContact CE2-CG 4.5Å; F531-L563 HydrophobicContact CG-CD1 3.95Å; F531-L563 HydrophobicContact CG-CD2 3.67Å; F531-L563 HydrophobicContact CG-CG 4.31Å; F531-L563 HydrophobicContact CZ-CD2 4.05Å; I534-L563 HydrophobicContact CD1-CD1 4.21Å; I534-L563 HydrophobicContact CG1-CD1 3.94Å; I541-L563 HydrophobicContact CD1-CD2 3.73Å; K559-L563 WeakPolarHBondContact O-CB 3.46Å; K559-L563 PolarHBondContact O-N 3.11Å; L560-L563 HydrophobicContact CD2-CD2 4.45Å; L560-L563 WeakPolarHBondContact O-CB 3.17Å; L560-L563 PolarHBondContact O-N 3.33Å; L561-L563 VanDerWaalsContact C-N 3.33Å; L561-L563 PolarHBondContact O-N 3.39Å; L563-Q567 HydrophobicContact CD1-CB 4.08Å; L563-Q567 HydrophobicContact CD1-CG 4.25Å; L563-Q567 PolarHBondContact O-N 3.12Å; L563-L568 HydrophobicContact CD2-CD1 3.91Å; L563-L568 HydrophobicContact CD2-CG 4.41Å; L563-L568 HydrophobicContact CG-CD1 3.83Å; L563-L568 HydrophobicContact CG-CG 3.97Å; L563-L568 PolarHBondContact O-N 3.48Å
564I93.4Very high92.3Very high0 Ų054.2 Ų54.20%024%0.238CC..Hα-helixtrans-58.6-51175-76.5175.4000111.1L560 L561 Q562 L568 K569 F576 L598 A601 I602 I605L560-I564 WeakPolarHBondContact O-CG1 3.4Å; L560-I564 PolarHBondContact O-N 2.87Å; L561-I564 PolarHBondContact O-N 2.63Å; Q562-I564 VanDerWaalsContact C-N 3.34Å; Q562-I564 PolarHBondContact O-N 3.49Å; I564-L568 HydrophobicContact CG1-CD1 4.05Å; I564-K569 WeakPolarHBondContact O-CB 3.38Å; I564-K569 PolarHBondContact O-N 3.03Å; I564-F576 HydrophobicContact CD1-CE2 3.98Å; I564-F576 HydrophobicContact CD1-CZ 3.9Å; I564-F576 HydrophobicContact CG1-CE2 4.3Å; I564-F576 HydrophobicContact CG1-CZ 3.87Å; I564-L598 HydrophobicContact CG2-CB 4.44Å; I564-L598 HydrophobicContact CG2-CD2 4.32Å; I564-A601 HydrophobicContact CD1-CB 4.37Å; I564-I602 HydrophobicContact CD1-CG1 3.87Å; I564-I602 HydrophobicContact CG2-CD1 4.29Å; I564-I602 HydrophobicContact CG2-CG1 4.45Å; I564-I605 HydrophobicContact CD1-CD1 3.46Å; I564-I605 VanDerWaalsContact CD1-CD1 3.46Å
565Y91.3Very high92.5Very high135 Ų13546.6 Ų46.653%0.52921%0.205SC..Hα-helixtrans-75.9-34.9-175.3-69-62.1000113.8L561 Q562 I602L561-Y565 WeakPolarHBondContact O-CD2 3.4Å; L561-Y565 PolarHBondContact O-N 2.83Å; Q562-Y565 PolarHBondContact O-N 3.31Å; Y565-I602 HydrophobicContact CE1-CD1 4.45Å; Y565-I602 HydrophobicContact CE2-CD1 4.28Å; Y565-I602 WeakPolarHBondContact OH-CD1 3.15Å
566E90.4Very high92.7Very high68 Ų6844.9 Ų44.932%0.31820%0.197SC..Hα-helixtrans-86.2-33-175.5-70.3179.1-167.400114.6G526 S527 R528 Q562G526-E566 VanDerWaalsContact CA-OE1 3.3Å; G526-E566 WeakPolarHBondContact CA-OE1 3.1Å; S527-E566 VanDerWaalsContact CB-OE2 3.28Å; S527-E566 WeakPolarHBondContact CB-OE2 3.35Å; S527-E566 PolarHBondContact N-OE1 2.81Å; S527-E566 PolarHBondContact N-OE2 3.28Å; S527-E566 PolarHBondContact OG-OE2 3.22Å; R528-E566 IonicContact NH1-OE2 2.63Å; Q562-E566 VanDerWaalsContact O-CB 3.29Å; Q562-E566 WeakPolarHBondContact O-CB 3.19Å; Q562-E566 WeakPolarHBondContact O-CG 3.37Å; Q562-E566 PolarHBondContact O-N 2.92Å
567Q91.7Very high92.9Very high0 Ų044.9 Ų44.90%020%0.197CC..THydrogen-bonded Turntrans-129-49.9-169.8-59.1-163.167.700113.2S527 G532 I534 L563 K569 Y570S527-Q567 PolarHBondContact OG-NE2 3.19Å; G532-Q567 PolarHBondContact O-NE2 3.11Å; I534-Q567 HydrophobicContact CG1-CB 4.21Å; L563-Q567 HydrophobicContact CD1-CB 4.08Å; L563-Q567 HydrophobicContact CD1-CG 4.25Å; L563-Q567 PolarHBondContact O-N 3.12Å; Q567-K569 PolarHBondContact O-N 2.64Å; Q567-Y570 PolarHBondContact O-N 3.1Å
568L92.1Very high92.9Very high0 Ų042.8 Ų42.80%019%0.189CC..G310 helixtrans-75.8-25.9-169.4-55.2170.9000113.9I534 V539 I541 L563 I564 Y570 K571 L574 F576I534-L568 HydrophobicContact CG1-CD2 4.24Å; I534-L568 HydrophobicContact CG2-CD2 4.3Å; V539-L568 HydrophobicContact CG2-CD2 3.98Å; I541-L568 HydrophobicContact CD1-CD1 3.44Å; I541-L568 VanDerWaalsContact CD1-CD1 3.44Å; I541-L568 HydrophobicContact CD1-CD2 3.91Å; I541-L568 HydrophobicContact CD1-CG 4.29Å; L563-L568 HydrophobicContact CD2-CD1 3.91Å; L563-L568 HydrophobicContact CD2-CG 4.41Å; L563-L568 HydrophobicContact CG-CD1 3.83Å; L563-L568 HydrophobicContact CG-CG 3.97Å; L563-L568 PolarHBondContact O-N 3.48Å; I564-L568 HydrophobicContact CG1-CD1 4.05Å; L568-Y570 PolarHBondContact O-N 3.03Å; L568-K571 HydrophobicContact CD2-CG 4.45Å; L568-K571 PolarHBondContact O-N 2.72Å; L568-L574 HydrophobicContact CB-CD2 3.7Å; L568-L574 HydrophobicContact CD1-CD2 4.27Å; L568-L574 HydrophobicContact CG-CD2 4.49Å; L568-F576 HydrophobicContact CD1-CE1 4.27Å; L568-F576 HydrophobicContact CD1-CZ 3.68Å
569K89.2Confident93Very high110 Ų11037.2 Ų37.248%0.47816%0.163SC..G310 helixtrans-52.7-23.6172.7-178.9172.2-179.4173.90113.7I564 Q567 L598I564-K569 WeakPolarHBondContact O-CB 3.38Å; I564-K569 PolarHBondContact O-N 3.03Å; Q567-K569 PolarHBondContact O-N 2.64Å; K569-L598 HydrophobicContact CB-CD1 4.2Å; K569-L598 HydrophobicContact CG-CD1 4.14Å
570Y86.7Confident92.9Very high133 Ų13338.3 Ų38.352%0.52217%0.17SC..G310 helixtrans-103.65.2-177.2-54.2-71.4000114.1Y385 Q567 L568Y385-Y570 HydrophobicContact CE1-CD2 4.42Å; Y385-Y570 VanDerWaalsContact OH-CB 3.26Å; Y385-Y570 WeakPolarHBondContact OH-CB 3.24Å; Y385-Y570 VanDerWaalsContact OH-CD2 3.23Å; Y385-Y570 WeakPolarHBondContact OH-CD2 3.22Å; Q567-Y570 PolarHBondContact O-N 3.1Å; L568-Y570 PolarHBondContact O-N 3.03Å
571K90.7Very high92.7Very high4 Ų440.5 Ų40.52%0.01719%0.185CC..SBendtrans-89.5165.3177-58.6-48.5-164.4149.20111I534 T535 E536 D537 L568 T593I534-K571 WeakPolarHBondContact O-CE 3.46Å; I534-K571 PolarHBondContact O-NZ 3.35Å; T535-K571 PolarHBondContact O-NZ 2.61Å; E536-K571 WeakPolarHBondContact O-CD 3.24Å; E536-K571 WeakPolarHBondContact O-CE 3.21Å; E536-K571 PolarHBondContact O-NZ 2.87Å; D537-K571 WeakPolarHBondContact OD1-CD 3.47Å; D537-K571 IonicContact OD1-NZ 3.29Å; D537-K571 PolarHBondContact OD1-NZ 2.98Å; L568-K571 HydrophobicContact CD2-CG 4.45Å; L568-K571 PolarHBondContact O-N 2.72Å; K571-T593 HydrophobicContact CB-CG2 4.39Å; K571-T593 WeakPolarHBondContact O-CB 3.46Å; K571-T593 WeakPolarHBondContact O-CG2 3.36Å; K571-T593 PolarHBondContact O-OG1 2.97Å
572N91.4Very high92.5Very high94 Ų9443.3 Ų43.350%0.50320%0.2SC..SBendtrans-80.4-47.7-179-70.1-33.3000111.3D537 T593D537-N572 HydrophobicContact CB-CB 4.23Å; D537-N572 WeakPolarHBondContact CB-ND2 3.5Å; D537-N572 WeakPolarHBondContact O-CA 3.24Å; D537-N572 WeakPolarHBondContact O-CB 3.38Å; D537-N572 PolarHBondContact O-N 2.84Å; N572-T593 PolarHBondContact O-N 3.31Å
573R94.4Very high92.5Very high100 Ų10041.5 Ų41.538%0.37719%0.194SC..EExtended strand (participates in β ladder)trans-141.8148.2178.1-55.6175.2179.8-97-3.8111.6D537 N538 V539 L590 Q591D537-R573 PolarHBondContact O-N 2.85Å; N538-R573 WeakPolarHBondContact CA-O 3.43Å; N538-R573 VanDerWaalsContact OD1-CB 3.28Å; N538-R573 WeakPolarHBondContact OD1-CB 3.24Å; N538-R573 WeakPolarHBondContact OD1-CD 3.44Å; N538-R573 VanDerWaalsContact OD1-CG 3.22Å; N538-R573 WeakPolarHBondContact OD1-CG 3.49Å; V539-R573 PolarHBondContact N-O 2.86Å; R573-L590 HydrophobicContact CB-CB 3.92Å; R573-L590 HydrophobicContact CB-CD2 4.1Å; R573-L590 HydrophobicContact CB-CG 4.5Å; R573-L590 PolarHBondContact NH1-O 3.4Å; R573-Q591 CarbonylContact C-O 3.58Å; R573-Q591 WeakPolarHBondContact CA-O 3.5Å; R573-Q591 WeakPolarHBondContact CB-O 3.25Å
574L95.2Very high92.5Very high2 Ų245.9 Ų45.91%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-140.4157.6173.170.584.3000111.6V539 L568 F576 W586 Q591 T593 L598V539-L574 HydrophobicContact CG2-CB 4.16Å; V539-L574 CarbonylContact O-C 3.52Å; V539-L574 VanDerWaalsContact O-CA 3.28Å; V539-L574 WeakPolarHBondContact O-CA 3.25Å; L568-L574 HydrophobicContact CB-CD2 3.7Å; L568-L574 HydrophobicContact CD1-CD2 4.27Å; L568-L574 HydrophobicContact CG-CD2 4.49Å; L574-F576 HydrophobicContact CD1-CD2 3.76Å; L574-F576 HydrophobicContact CD1-CE2 3.46Å; L574-F576 VanDerWaalsContact CD1-CE2 3.46Å; L574-F576 HydrophobicContact CD1-CZ 4.34Å; L574-W586 HydrophobicContact CD1-CE3 4.19Å; L574-W586 HydrophobicContact CD1-CH2 4.41Å; L574-W586 HydrophobicContact CD1-CZ3 3.62Å; L574-Q591 PolarHBondContact N-O 2.92Å; L574-Q591 PolarHBondContact O-N 3.29Å; L574-T593 HydrophobicContact CD2-CG2 3.92Å; L574-T593 HydrophobicContact CG-CG2 4.22Å; L574-L598 HydrophobicContact CD2-CD2 3.75Å
575N95.6Very high92.5Very high0 Ų047 Ų470%023%0.226CC..EExtended strand (participates in β ladder)trans-147.9150.4165.1-163.24.9000110.2V539 Y540 I541 H587 L590V539-N575 PolarHBondContact O-N 3.38Å; Y540-N575 HydrophobicContact CD1-CB 3.8Å; Y540-N575 HydrophobicContact CE1-CB 3.51Å; Y540-N575 WeakPolarHBondContact CE1-ND2 3.04Å; Y540-N575 HydrophobicContact CG-CB 4.47Å; Y540-N575 PolarHBondContact OH-ND2 3.14Å; I541-N575 PolarHBondContact N-O 3.01Å; N575-H587 PolarHBondContact ND2-O 3Å; N575-H587 PolarHBondContact OD1-N 2.94Å; N575-H587 PolarHBondContact OD1-O 2.73Å; N575-L590 HydrophobicContact CB-CD2 4.19Å
576F96.6Very high92.7Very high0 Ų041.6 Ų41.60%021%0.205CC..EExtended strand (participates in β ladder)trans-114.5137.2178.2-69.1-80.8000109.9I541 I543 L560 I564 L568 L574 W586 A601 W604 I605I541-F576 HydrophobicContact CB-CD1 3.73Å; I541-F576 HydrophobicContact CB-CE1 3.93Å; I541-F576 HydrophobicContact CD1-CD1 4.2Å; I541-F576 HydrophobicContact CD1-CE1 3.53Å; I541-F576 HydrophobicContact CD1-CZ 4.08Å; I541-F576 HydrophobicContact CG1-CE1 4.31Å; I541-F576 HydrophobicContact CG2-CD1 3.96Å; I541-F576 HydrophobicContact CG2-CE1 4.05Å; I541-F576 WeakPolarHBondContact O-CA 3.43Å; I543-F576 HydrophobicContact CD1-CD1 4.03Å; L560-F576 HydrophobicContact CD2-CD1 4.5Å; L560-F576 HydrophobicContact CD2-CE1 3.97Å; I564-F576 HydrophobicContact CD1-CE2 3.98Å; I564-F576 HydrophobicContact CD1-CZ 3.9Å; I564-F576 HydrophobicContact CG1-CE2 4.3Å; I564-F576 HydrophobicContact CG1-CZ 3.87Å; L568-F576 HydrophobicContact CD1-CE1 4.27Å; L568-F576 HydrophobicContact CD1-CZ 3.68Å; L574-F576 HydrophobicContact CD1-CD2 3.76Å; L574-F576 HydrophobicContact CD1-CE2 3.46Å; L574-F576 VanDerWaalsContact CD1-CE2 3.46Å; L574-F576 HydrophobicContact CD1-CZ 4.34Å; F576-W586 HydrophobicContact CB-CB 4.18Å; F576-W586 HydrophobicContact CD2-CE3 4.26Å; F576-W586 PolarHBondContact O-N 3.05Å; F576-A601 HydrophobicContact CD2-CB 4Å; F576-A601 HydrophobicContact CE2-CB 3.85Å; F576-W604 HydrophobicContact CB-CE3 4.15Å; F576-W604 HydrophobicContact CB-CH2 4.08Å; F576-W604 HydrophobicContact CB-CZ3 3.54Å; F576-W604 HydrophobicContact CG-CZ3 4.46Å; F576-I605 HydrophobicContact CD2-CD1 4.35Å; F576-I605 HydrophobicContact CE1-CD1 4.19Å; F576-I605 HydrophobicContact CE2-CD1 4Å; F576-I605 HydrophobicContact CZ-CD1 3.92Å
577I95.8Very high92.8Very high0 Ų041.5 Ų41.50%020%0.204CC..EExtended strand (participates in β ladder)trans-128.8120.1176.5-63.9169.1000107.9Y540 I541 L542 I543 V583 A585 A619 F622 A623Y540-I577 HydrophobicContact CD1-CD1 3.4Å; Y540-I577 VanDerWaalsContact CD1-CD1 3.4Å; Y540-I577 HydrophobicContact CD1-CG1 3.99Å; Y540-I577 HydrophobicContact CE1-CD1 3.7Å; Y540-I577 HydrophobicContact CE1-CG1 4.24Å; Y540-I577 HydrophobicContact CG-CD1 4.49Å; I541-I577 PolarHBondContact O-N 2.74Å; L542-I577 CarbonylContact C-O 3.55Å; L542-I577 WeakPolarHBondContact CA-O 3.25Å; L542-I577 HydrophobicContact CD2-CB 3.75Å; L542-I577 HydrophobicContact CD2-CD1 3.79Å; L542-I577 HydrophobicContact CD2-CG1 4.39Å; L542-I577 HydrophobicContact CD2-CG2 3.7Å; I543-I577 PolarHBondContact N-O 2.88Å; I577-V583 HydrophobicContact CG2-CG1 3.47Å; I577-V583 VanDerWaalsContact CG2-CG1 3.47Å; I577-A585 HydrophobicContact CG1-CB 4.1Å; I577-A619 HydrophobicContact CG2-CB 4.48Å; I577-F622 HydrophobicContact CD1-CB 4.45Å; I577-F622 HydrophobicContact CD1-CD1 3.54Å; I577-F622 HydrophobicContact CD1-CE1 4.21Å; I577-F622 HydrophobicContact CD1-CG 4.35Å; I577-F622 HydrophobicContact CG1-CD1 4.23Å; I577-F622 HydrophobicContact CG1-CE1 4.49Å; I577-A623 HydrophobicContact CD1-CB 4.05Å
578A95.3Very high92.8Very high3 Ų347.1 Ų47.13%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-93.8129.8167.400000108.2I543 T545 N584 W604 L608I543-A578 WeakPolarHBondContact O-CA 3.22Å; T545-A578 HydrophobicContact CG2-CB 3.81Å; A578-N584 PolarHBondContact N-O 2.83Å; A578-N584 PolarHBondContact O-N 3.38Å; A578-W604 HydrophobicContact CB-CH2 3.75Å; A578-W604 HydrophobicContact CB-CZ2 4.23Å; A578-L608 HydrophobicContact CB-CD2 3.54Å
579F94Very high92.8Very high0 Ų053 Ų530%026%0.261CS..EExtended strand (participates in β ladder)trans-127.5140.9178.669.9-84.4000111.7L542 I543 D544 T545 N582 V583 T614 A619 L634L542-F579 HydrophobicContact CB-CD1 4.23Å; L542-F579 HydrophobicContact CB-CE1 4Å; L542-F579 HydrophobicContact CD2-CD1 4.46Å; I543-F579 VanDerWaalsContact O-CD1 3.27Å; I543-F579 WeakPolarHBondContact O-CD1 3.28Å; I543-F579 PolarHBondContact O-N 3.3Å; D544-F579 HydrophobicContact CB-CE1 4.21Å; D544-F579 HydrophobicContact CB-CE2 4.22Å; D544-F579 HydrophobicContact CB-CZ 3.74Å; D544-F579 VanDerWaalsContact N-CE1 3.33Å; T545-F579 PolarHBondContact N-O 3.32Å; T545-F579 PolarHBondContact OG1-O 2.97Å; F579-N582 WeakPolarHBondContact CA-O 3.37Å; F579-V583 HydrophobicContact CB-CG2 4.38Å; F579-T614 HydrophobicContact CE2-CG2 3.88Å; F579-A619 HydrophobicContact CB-CB 3.49Å; F579-A619 VanDerWaalsContact CB-CB 3.49Å; F579-A619 HydrophobicContact CD1-CB 3.84Å; F579-A619 HydrophobicContact CD2-CB 4.19Å; F579-A619 HydrophobicContact CG-CB 3.57Å; F579-L634 HydrophobicContact CE1-CD1 3.55Å; F579-L634 HydrophobicContact CZ-CD1 3.55Å
580N91.8Very high93Very high37 Ų3748 Ų4820%0.19824%0.24CC..SBendtrans-140-127.2168.654.631.4000107.6N582 G611 T613 N615N580-N582 PolarHBondContact N-O 3.48Å; N580-N582 PolarHBondContact O-N 2.9Å; N580-N582 PolarHBondContact OD1-N 3.37Å; N580-N582 PolarHBondContact OD1-O 2.79Å; N580-G611 WeakPolarHBondContact CB-O 3.06Å; N580-G611 PolarHBondContact ND2-O 3Å; N580-T613 CarbonylContact C-O 3.35Å; N580-T613 WeakPolarHBondContact CA-O 2.99Å; N580-T613 WeakPolarHBondContact CB-O 3.27Å; N580-N615 WeakPolarHBondContact O-CA 3.09Å; N580-N615 WeakPolarHBondContact O-CB 3.44Å; N580-N615 PolarHBondContact O-N 3.41Å
581S90Very high93.3Very high45 Ų4544.1 Ų44.132%0.31523%0.227SC..SBendtrans-62.3-29.4165.8-55.30000112.3T613 N615S581-T613 PolarHBondContact N-O 3.46Å; S581-T613 PolarHBondContact OG-N 3.39Å; S581-T613 PolarHBondContact OG-OG1 3.04Å; S581-N615 PolarHBondContact O-ND2 3Å
582N90.6Very high93.4Very high107 Ų10746.2 Ų46.257%0.57224%0.242SC*.SBendtrans-114.5165.4175.4-72-47.2000111.4F579 N580F579-N582 WeakPolarHBondContact CA-O 3.37Å; N580-N582 PolarHBondContact N-O 3.48Å; N580-N582 PolarHBondContact O-N 2.9Å; N580-N582 PolarHBondContact OD1-N 3.37Å; N580-N582 PolarHBondContact OD1-O 2.79Å
583V92.4Very high93.4Very high33 Ų3343.2 Ų43.220%0.223%0.227CC..EExtended strand (participates in β ladder)trans-108.5128.4175.1-1800000108I577 F579 K618 A619 F622I577-V583 HydrophobicContact CG2-CG1 3.47Å; I577-V583 VanDerWaalsContact CG2-CG1 3.47Å; F579-V583 HydrophobicContact CB-CG2 4.38Å; V583-K618 HydrophobicContact CG2-CB 3.89Å; V583-K618 HydrophobicContact CG2-CD 4.01Å; V583-K618 HydrophobicContact CG2-CG 3.73Å; V583-A619 HydrophobicContact CG2-CB 4.05Å; V583-F622 HydrophobicContact CG1-CB 4.45Å; V583-F622 HydrophobicContact CG1-CD2 4.47Å; V583-F622 HydrophobicContact CG1-CG 4.42Å
584N93.8Very high93.3Very high93 Ų9341.6 Ų41.650%0.49723%0.228SC..EExtended strand (participates in β ladder)trans-125.2105.9177.5179.919.5000108A578 W604A578-N584 PolarHBondContact N-O 2.83Å; A578-N584 PolarHBondContact O-N 3.38Å; N584-W604 WeakPolarHBondContact O-CZ2 3.36Å
585A94.5Very high93.1Very high22 Ų2248.6 Ų48.618%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-91.6151.2177.800000111I577 H587 F622I577-A585 HydrophobicContact CG1-CB 4.1Å; A585-H587 VanDerWaalsContact CB-O 3.31Å; A585-H587 WeakPolarHBondContact CB-O 3.39Å; A585-F622 HydrophobicContact CB-CE1 3.64Å; A585-F622 HydrophobicContact CB-CZ 3.64Å
586W94.7Very high93Very high22 Ų2253.3 Ų53.38%0.08329%0.293CS..SBendtrans-71.1-38.4172.5169.151.7000111.8L574 F576 Q591 N597 S600 A601 W604L574-W586 HydrophobicContact CD1-CE3 4.19Å; L574-W586 HydrophobicContact CD1-CH2 4.41Å; L574-W586 HydrophobicContact CD1-CZ3 3.62Å; F576-W586 HydrophobicContact CB-CB 4.18Å; F576-W586 HydrophobicContact CD2-CE3 4.26Å; F576-W586 PolarHBondContact O-N 3.05Å; W586-Q591 HydrophobicContact CH2-CB 3.88Å; W586-Q591 HydrophobicContact CH2-CG 4.06Å; W586-Q591 HydrophobicContact CZ3-CB 3.86Å; W586-Q591 HydrophobicContact CZ3-CG 3.99Å; W586-N597 HydrophobicContact CH2-CB 4.06Å; W586-N597 WeakPolarHBondContact CH2-O 3.43Å; W586-N597 HydrophobicContact CZ2-CB 4.45Å; W586-N597 WeakPolarHBondContact CZ2-O 3.3Å; W586-S600 PolarHBondContact NE1-OG 2.77Å; W586-S600 VanDerWaalsContact NE1-OG 3.15Å; W586-A601 HydrophobicContact CD2-CB 4.02Å; W586-A601 HydrophobicContact CE3-CB 4.26Å; W586-A601 HydrophobicContact CH2-CB 4.04Å; W586-A601 HydrophobicContact CZ2-CB 3.79Å; W586-A601 HydrophobicContact CZ3-CB 4.27Å; W586-W604 HydrophobicContact CB-CD2 3.72Å; W586-W604 HydrophobicContact CB-CE3 4.03Å; W586-W604 HydrophobicContact CB-CG 4.05Å; W586-W604 HydrophobicContact CB-CH2 4.4Å; W586-W604 HydrophobicContact CB-CZ2 4.13Å; W586-W604 HydrophobicContact CB-CZ3 4.37Å; W586-W604 AromaticContact CD1-CD1 3.77Å; W586-W604 AromaticContact CD1-CG 3.54Å; W586-W604 HydrophobicContact CG-CB 4.31Å; W586-W604 HydrophobicContact CG-CD2 4.19Å; W586-W604 HydrophobicContact CG-CG 4.07Å
587H93.3Very high92.9Very high66 Ų6654.9 Ų54.931%0.30630%0.301SS..SBendtrans-141.2163.3167.4-83.1-78.9000110.4N575 A585 H589 Q591N575-H587 PolarHBondContact ND2-O 3Å; N575-H587 PolarHBondContact OD1-N 2.94Å; N575-H587 PolarHBondContact OD1-O 2.73Å; A585-H587 VanDerWaalsContact CB-O 3.31Å; A585-H587 WeakPolarHBondContact CB-O 3.39Å; H587-H589 VanDerWaalsContact C-N 3.3Å; H587-H589 PolarHBondContact O-N 3.26Å; H587-Q591 HydrophobicContact CB-CG 3.79Å; H587-Q591 VanDerWaalsContact CD2-CG 3.44Å; H587-Q591 WeakPolarHBondContact CD2-CG 3.42Å
588D90.6Very high92.8Very high119 Ų11955.7 Ų55.764%0.63631%0.305SS*.SBendtrans-69-27.4179.5-54.8-43.1000113.3
589H92.3Very high92.7Very high123 Ų12358.7 Ų58.757%0.56932%0.321SS*.SBendtrans-143.1164-176.6-57.7-47000112.3Y540 H587 Q591Y540-H589 WeakPolarHBondContact OH-CA 3.24Å; H587-H589 VanDerWaalsContact C-N 3.3Å; H587-H589 PolarHBondContact O-N 3.26Å; H589-Q591 PolarHBondContact O-N 3.01Å; H589-Q591 PolarHBondContact O-NE2 2.78Å
590L92.7Very high92.8Very high5 Ų561 Ų613%0.02634%0.337CS..  trans-52.3112.2178.7-82.4164.1000115N538 V539 Y540 R573 N575 D626 L628N538-L590 HydrophobicContact CB-CD1 4.19Å; V539-L590 WeakPolarHBondContact O-CD2 3.49Å; Y540-L590 HydrophobicContact CD2-CD1 4.23Å; Y540-L590 HydrophobicContact CD2-CD2 4.01Å; Y540-L590 HydrophobicContact CD2-CG 4.06Å; Y540-L590 HydrophobicContact CE2-CD1 3.73Å; Y540-L590 HydrophobicContact CE2-CD2 3.85Å; Y540-L590 HydrophobicContact CE2-CG 3.42Å; Y540-L590 VanDerWaalsContact CE2-CG 3.42Å; Y540-L590 PolarHBondContact OH-N 3.11Å; R573-L590 HydrophobicContact CB-CB 3.92Å; R573-L590 HydrophobicContact CB-CD2 4.1Å; R573-L590 HydrophobicContact CB-CG 4.5Å; R573-L590 PolarHBondContact NH1-O 3.4Å; N575-L590 HydrophobicContact CB-CD2 4.19Å; L590-D626 WeakPolarHBondContact CG-OD2 3.21Å; L590-D626 PolarHBondContact N-OD2 3.26Å; L590-L628 HydrophobicContact CD1-CB 3.86Å
591Q94Very high92.9Very high52 Ų5259.2 Ų59.224%0.24333%0.327CS..EExtended strand (participates in β ladder)trans-90.1145.8178.6-62.7-50.9-53.600112.4R573 L574 W586 H587 H589R573-Q591 CarbonylContact C-O 3.58Å; R573-Q591 WeakPolarHBondContact CA-O 3.5Å; R573-Q591 WeakPolarHBondContact CB-O 3.25Å; L574-Q591 PolarHBondContact N-O 2.92Å; L574-Q591 PolarHBondContact O-N 3.29Å; W586-Q591 HydrophobicContact CH2-CB 3.88Å; W586-Q591 HydrophobicContact CH2-CG 4.06Å; W586-Q591 HydrophobicContact CZ3-CB 3.86Å; W586-Q591 HydrophobicContact CZ3-CG 3.99Å; H587-Q591 HydrophobicContact CB-CG 3.79Å; H587-Q591 VanDerWaalsContact CD2-CG 3.44Å; H587-Q591 WeakPolarHBondContact CD2-CG 3.42Å; H589-Q591 PolarHBondContact O-N 3.01Å; H589-Q591 PolarHBondContact O-NE2 2.78Å
592S92.9Very high93.1Very high48 Ų4857.8 Ų57.834%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-66.7146.8173.153.70000111.9T594 N597S592-T594 PolarHBondContact O-N 3.06Å; S592-N597 VanDerWaalsContact O-CB 3.27Å; S592-N597 WeakPolarHBondContact O-CB 3.19Å; S592-N597 PolarHBondContact O-ND2 3.39Å
593T91Very high93.3Very high31 Ų3158.9 Ų58.919%0.1932%0.316CS..  trans-77.237.8-175.352.20000114.4K571 N572 L574K571-T593 HydrophobicContact CB-CG2 4.39Å; K571-T593 WeakPolarHBondContact O-CB 3.46Å; K571-T593 WeakPolarHBondContact O-CG2 3.36Å; K571-T593 PolarHBondContact O-OG1 2.97Å; N572-T593 PolarHBondContact O-N 3.31Å; L574-T593 HydrophobicContact CD2-CG2 3.92Å; L574-T593 HydrophobicContact CG-CG2 4.22Å
594T91.5Very high93.5Very high65 Ų6559.1 Ų59.140%0.39931%0.313SS..  trans-67.5151.9175.267.60000111.3S592 C596 N597 L598S592-T594 PolarHBondContact O-N 3.06Å; T594-C596 PolarHBondContact O-N 2.94Å; T594-N597 WeakPolarHBondContact O-CA 3.42Å; T594-N597 WeakPolarHBondContact O-CB 3.4Å; T594-N597 PolarHBondContact O-N 3.19Å; T594-N597 WeakPolarHBondContact OG1-CB 3.44Å; T594-N597 VanDerWaalsContact OG1-CG 3.23Å; T594-N597 PolarHBondContact OG1-N 3.12Å; T594-N597 PolarHBondContact OG1-ND2 2.09Å; T594-L598 WeakPolarHBondContact O-CG 3.37Å; T594-L598 PolarHBondContact O-N 2.52Å
595E91.6Very high93.5Very high149 Ų14954.7 Ų54.770%0.69629%0.289SS*.Hα-helixtrans-58-35.8-179.2-175.2167.1-161.200113L598 N599E595-L598 PolarHBondContact O-N 3.4Å; E595-N599 WeakPolarHBondContact O-CB 3.48Å; E595-N599 VanDerWaalsContact O-CG 3.29Å; E595-N599 PolarHBondContact O-N 3.35Å; E595-N599 PolarHBondContact O-ND2 3.41Å
596C93.4Very high93.5Very high100 Ų10059 Ų5968%0.67631%0.306SS*.Hα-helixtrans-61.3-43.5172.1-63.10000112.3T594 N599 S600T594-C596 PolarHBondContact O-N 2.94Å; C596-N599 PolarHBondContact O-N 3.38Å; C596-S600 WeakPolarHBondContact O-CB 3.21Å; C596-S600 PolarHBondContact O-N 2.97Å
597N94.4Very high93.4Very high32 Ų3265.8 Ų65.817%0.17134%0.336CS..Hα-helixtrans-69.7-41.7178.9-74.9-4.4000111.5W586 S592 T594 N599 S600 A601W586-N597 HydrophobicContact CH2-CB 4.06Å; W586-N597 WeakPolarHBondContact CH2-O 3.43Å; W586-N597 HydrophobicContact CZ2-CB 4.45Å; W586-N597 WeakPolarHBondContact CZ2-O 3.3Å; S592-N597 VanDerWaalsContact O-CB 3.27Å; S592-N597 WeakPolarHBondContact O-CB 3.19Å; S592-N597 PolarHBondContact O-ND2 3.39Å; T594-N597 WeakPolarHBondContact O-CA 3.42Å; T594-N597 WeakPolarHBondContact O-CB 3.4Å; T594-N597 PolarHBondContact O-N 3.19Å; T594-N597 WeakPolarHBondContact OG1-CB 3.44Å; T594-N597 VanDerWaalsContact OG1-CG 3.23Å; T594-N597 PolarHBondContact OG1-N 3.12Å; T594-N597 PolarHBondContact OG1-ND2 2.09Å; N597-N599 PolarHBondContact O-N 2.93Å; N597-S600 WeakPolarHBondContact O-CB 3.46Å; N597-S600 PolarHBondContact O-N 3.11Å; N597-S600 VanDerWaalsContact O-N 3.17Å; N597-A601 PolarHBondContact O-N 2.71Å
598L93.7Very high93.4Very high17 Ų1763.1 Ų63.19%0.08932%0.324CS..Hα-helixtrans-60.8-44174-61.4-178.9000111.5I564 K569 L574 T594 E595 S600 A601 I602I564-L598 HydrophobicContact CG2-CB 4.44Å; I564-L598 HydrophobicContact CG2-CD2 4.32Å; K569-L598 HydrophobicContact CB-CD1 4.2Å; K569-L598 HydrophobicContact CG-CD1 4.14Å; L574-L598 HydrophobicContact CD2-CD2 3.75Å; T594-L598 WeakPolarHBondContact O-CG 3.37Å; T594-L598 PolarHBondContact O-N 2.52Å; E595-L598 PolarHBondContact O-N 3.4Å; L598-S600 VanDerWaalsContact C-N 3.3Å; L598-S600 PolarHBondContact O-N 2.83Å; L598-A601 PolarHBondContact O-N 3.13Å; L598-I602 VanDerWaalsContact O-CG1 3.28Å; L598-I602 WeakPolarHBondContact O-CG1 3.31Å; L598-I602 PolarHBondContact O-N 2.72Å
599N94Very high93.4Very high67 Ų6762.8 Ų62.836%0.35833%0.326SS..Hα-helixtrans-66.4-29.3175.6-74.3-39.2000113.3E595 C596 N597 K603E595-N599 WeakPolarHBondContact O-CB 3.48Å; E595-N599 VanDerWaalsContact O-CG 3.29Å; E595-N599 PolarHBondContact O-N 3.35Å; E595-N599 PolarHBondContact O-ND2 3.41Å; C596-N599 PolarHBondContact O-N 3.38Å; N597-N599 PolarHBondContact O-N 2.93Å; N599-K603 WeakPolarHBondContact O-CG 3.27Å; N599-K603 PolarHBondContact O-N 3.3Å
600S95Very high93.4Very high47 Ų4758.2 Ų58.233%0.32931%0.308SS..Hα-helixtrans-70.1-45.6171.2176.60000111.4W586 C596 N597 L598 I602 K603 W604W586-S600 PolarHBondContact NE1-OG 2.77Å; W586-S600 VanDerWaalsContact NE1-OG 3.15Å; C596-S600 WeakPolarHBondContact O-CB 3.21Å; C596-S600 PolarHBondContact O-N 2.97Å; N597-S600 WeakPolarHBondContact O-CB 3.46Å; N597-S600 PolarHBondContact O-N 3.11Å; N597-S600 VanDerWaalsContact O-N 3.17Å; L598-S600 VanDerWaalsContact C-N 3.3Å; L598-S600 PolarHBondContact O-N 2.83Å; S600-I602 PolarHBondContact O-N 2.69Å; S600-K603 PolarHBondContact O-N 2.88Å; S600-W604 PolarHBondContact O-N 3.47Å; S600-W604 VanDerWaalsContact O-N 3.08Å
601A94.9Very high93.2Very high0 Ų059.1 Ų59.10%032%0.319CS..Hα-helixtrans-60.9-42.4176.500000112.2I564 F576 W586 N597 L598 K603 W604 I605I564-A601 HydrophobicContact CD1-CB 4.37Å; F576-A601 HydrophobicContact CD2-CB 4Å; F576-A601 HydrophobicContact CE2-CB 3.85Å; W586-A601 HydrophobicContact CD2-CB 4.02Å; W586-A601 HydrophobicContact CE3-CB 4.26Å; W586-A601 HydrophobicContact CH2-CB 4.04Å; W586-A601 HydrophobicContact CZ2-CB 3.79Å; W586-A601 HydrophobicContact CZ3-CB 4.27Å; N597-A601 PolarHBondContact O-N 2.71Å; L598-A601 PolarHBondContact O-N 3.13Å; A601-K603 PolarHBondContact O-N 3.24Å; A601-W604 WeakPolarHBondContact O-CB 3.48Å; A601-W604 PolarHBondContact O-N 3.25Å; A601-W604 VanDerWaalsContact O-N 3.11Å; A601-I605 WeakPolarHBondContact O-CG1 3.36Å; A601-I605 PolarHBondContact O-N 3.43Å
602I94.5Very high93Very high15 Ų1558.4 Ų58.48%0.07733%0.325CS..Hα-helixtrans-55.8-51.5174.4-72.5165.4000110.9L561 I564 Y565 L598 S600 W604 I605 E606L561-I602 HydrophobicContact CD2-CB 4.17Å; L561-I602 HydrophobicContact CD2-CG1 3.82Å; L561-I602 HydrophobicContact CD2-CG2 3.78Å; I564-I602 HydrophobicContact CD1-CG1 3.87Å; I564-I602 HydrophobicContact CG2-CD1 4.29Å; I564-I602 HydrophobicContact CG2-CG1 4.45Å; Y565-I602 HydrophobicContact CE1-CD1 4.45Å; Y565-I602 HydrophobicContact CE2-CD1 4.28Å; Y565-I602 WeakPolarHBondContact OH-CD1 3.15Å; L598-I602 VanDerWaalsContact O-CG1 3.28Å; L598-I602 WeakPolarHBondContact O-CG1 3.31Å; L598-I602 PolarHBondContact O-N 2.72Å; S600-I602 PolarHBondContact O-N 2.69Å; I602-W604 PolarHBondContact O-N 2.98Å; I602-I605 PolarHBondContact O-N 3.21Å; I602-E606 WeakPolarHBondContact O-CG 3.37Å; I602-E606 PolarHBondContact O-N 3.23Å
603K94.8Very high92.8Very high130 Ų13059.3 Ų59.357%0.56533%0.328SS*.Hα-helixtrans-63.4-22.1177.9-71.8173.1-178.3176.80113.9N599 S600 A601 K607N599-K603 WeakPolarHBondContact O-CG 3.27Å; N599-K603 PolarHBondContact O-N 3.3Å; S600-K603 PolarHBondContact O-N 2.88Å; A601-K603 PolarHBondContact O-N 3.24Å; K603-K607 WeakPolarHBondContact O-CD 3.27Å; K603-K607 VanDerWaalsContact O-CG 3.31Å; K603-K607 WeakPolarHBondContact O-CG 3.28Å
604W95.9Very high92.6Very high38 Ų3858.4 Ų58.414%0.14432%0.323CS..Hα-helixtrans-82.8-43.6174.4-177.596.9000111F576 A578 N584 W586 S600 A601 I602 E606 K607 L608F576-W604 HydrophobicContact CB-CE3 4.15Å; F576-W604 HydrophobicContact CB-CH2 4.08Å; F576-W604 HydrophobicContact CB-CZ3 3.54Å; F576-W604 HydrophobicContact CG-CZ3 4.46Å; A578-W604 HydrophobicContact CB-CH2 3.75Å; A578-W604 HydrophobicContact CB-CZ2 4.23Å; N584-W604 WeakPolarHBondContact O-CZ2 3.36Å; W586-W604 HydrophobicContact CB-CD2 3.72Å; W586-W604 HydrophobicContact CB-CE3 4.03Å; W586-W604 HydrophobicContact CB-CG 4.05Å; W586-W604 HydrophobicContact CB-CH2 4.4Å; W586-W604 HydrophobicContact CB-CZ2 4.13Å; W586-W604 HydrophobicContact CB-CZ3 4.37Å; W586-W604 AromaticContact CD1-CD1 3.77Å; W586-W604 AromaticContact CD1-CG 3.54Å; W586-W604 HydrophobicContact CG-CB 4.31Å; W586-W604 HydrophobicContact CG-CD2 4.19Å; W586-W604 HydrophobicContact CG-CG 4.07Å; S600-W604 PolarHBondContact O-N 3.47Å; S600-W604 VanDerWaalsContact O-N 3.08Å; A601-W604 WeakPolarHBondContact O-CB 3.48Å; A601-W604 PolarHBondContact O-N 3.25Å; A601-W604 VanDerWaalsContact O-N 3.11Å; I602-W604 PolarHBondContact O-N 2.98Å; W604-E606 VanDerWaalsContact C-N 3.33Å; W604-E606 PolarHBondContact O-N 3.29Å; W604-K607 WeakPolarHBondContact O-CB 3.49Å; W604-K607 PolarHBondContact O-N 2.9Å; W604-L608 HydrophobicContact CD2-CD2 4.46Å; W604-L608 HydrophobicContact CE3-CD2 4.12Å; W604-L608 HydrophobicContact CE3-CG 4.4Å; W604-L608 HydrophobicContact CH2-CD2 3.69Å; W604-L608 HydrophobicContact CZ2-CD2 4.04Å; W604-L608 HydrophobicContact CZ3-CD1 4.07Å; W604-L608 HydrophobicContact CZ3-CD2 3.72Å; W604-L608 HydrophobicContact CZ3-CG 4.21Å; W604-L608 PolarHBondContact O-N 3.37Å
605I94.7Very high92.5Very high0 Ų056.8 Ų56.80%031%0.312CS..Hα-helixtrans-58.6-43.8174.3-69.6161.2000111K557 L560 I564 F576 A601 I602 K607 L608K557-I605 HydrophobicContact CB-CG2 4.31Å; K557-I605 WeakPolarHBondContact CE-O 3.39Å; K557-I605 HydrophobicContact CG-CG2 4.06Å; L560-I605 HydrophobicContact CB-CD1 4.24Å; L560-I605 HydrophobicContact CB-CG2 4.08Å; L560-I605 HydrophobicContact CD1-CG2 4.1Å; I564-I605 HydrophobicContact CD1-CD1 3.46Å; I564-I605 VanDerWaalsContact CD1-CD1 3.46Å; F576-I605 HydrophobicContact CD2-CD1 4.35Å; F576-I605 HydrophobicContact CE1-CD1 4.19Å; F576-I605 HydrophobicContact CE2-CD1 4Å; F576-I605 HydrophobicContact CZ-CD1 3.92Å; A601-I605 WeakPolarHBondContact O-CG1 3.36Å; A601-I605 PolarHBondContact O-N 3.43Å; I602-I605 PolarHBondContact O-N 3.21Å; I605-K607 PolarHBondContact O-N 3.33Å; I605-L608 HydrophobicContact CG2-CD1 4.48Å; I605-L608 WeakPolarHBondContact O-CB 3.26Å; I605-L608 WeakPolarHBondContact O-CG 3.08Å; I605-L608 PolarHBondContact O-N 2.99Å; I605-L608 VanDerWaalsContact O-N 3.12Å
606E93.1Very high92.3Very high113 Ų11349.8 Ų49.853%0.52828%0.28SS..THydrogen-bonded Turntrans-55.4-33.6175.3-74.8174.7163.600112.7K557 I602 W604K557-E606 PolarHBondContact NZ-O 3.09Å; I602-E606 WeakPolarHBondContact O-CG 3.37Å; I602-E606 PolarHBondContact O-N 3.23Å; W604-E606 VanDerWaalsContact C-N 3.33Å; W604-E606 PolarHBondContact O-N 3.29Å
607K93.7Very high92.1Very high164 Ų16446.5 Ų46.571%0.71326%0.255SS*.THydrogen-bonded Turntrans-86.5-4.1-178.4-67.8173.9-174.6178.90114.8K603 W604 I605 T609K603-K607 WeakPolarHBondContact O-CD 3.27Å; K603-K607 VanDerWaalsContact O-CG 3.31Å; K603-K607 WeakPolarHBondContact O-CG 3.28Å; W604-K607 WeakPolarHBondContact O-CB 3.49Å; W604-K607 PolarHBondContact O-N 2.9Å; I605-K607 PolarHBondContact O-N 3.33Å; K607-T609 PolarHBondContact O-N 2.92Å
608L92.7Very high91.8Very high11 Ų1149.7 Ų49.76%0.05827%0.267CS..  trans-58.8137.3179.4-67.2175.1000111.7I543 K557 A578 W604 I605I543-L608 HydrophobicContact CD1-CD1 4.19Å; K557-L608 VanDerWaalsContact CE-O 3.25Å; K557-L608 WeakPolarHBondContact CE-O 3.45Å; K557-L608 PolarHBondContact NZ-O 3.33Å; A578-L608 HydrophobicContact CB-CD2 3.54Å; W604-L608 HydrophobicContact CD2-CD2 4.46Å; W604-L608 HydrophobicContact CE3-CD2 4.12Å; W604-L608 HydrophobicContact CE3-CG 4.4Å; W604-L608 HydrophobicContact CH2-CD2 3.69Å; W604-L608 HydrophobicContact CZ2-CD2 4.04Å; W604-L608 HydrophobicContact CZ3-CD1 4.07Å; W604-L608 HydrophobicContact CZ3-CD2 3.72Å; W604-L608 HydrophobicContact CZ3-CG 4.21Å; W604-L608 PolarHBondContact O-N 3.37Å; I605-L608 HydrophobicContact CG2-CD1 4.48Å; I605-L608 WeakPolarHBondContact O-CB 3.26Å; I605-L608 WeakPolarHBondContact O-CG 3.08Å; I605-L608 PolarHBondContact O-N 2.99Å; I605-L608 VanDerWaalsContact O-N 3.12Å
609T91.4Very high91.7Very high111 Ų11148.9 Ų48.968%0.68126%0.263SS*.  trans-131.1147.3177.847.40000109.1K607K607-T609 PolarHBondContact O-N 2.92Å
610C91Very high91.5Very high28 Ų2845.8 Ų45.819%0.18925%0.246CC..  trans-98.3147.7-179.7-690000111.4T545 S546 L550 I553T545-C610 CarbonylContact O-C 3.54Å; T545-C610 VanDerWaalsContact O-CA 3.24Å; T545-C610 WeakPolarHBondContact O-CA 3.43Å; S546-C610 WeakPolarHBondContact O-CB 3.33Å; L550-C610 HydrophobicContact CB-CB 4.08Å; L550-C610 HydrophobicContact CD1-CB 3.94Å; I553-C610 VanDerWaalsContact CB-SG 3.59Å; I553-C610 VanDerWaalsContact CG1-SG 3.57Å
611G89.2Confident91.2Very high24 Ų2447.9 Ų47.925%0.24725%0.251CS..  trans160.5158.1173.500000111.9T545 N580T545-G611 PolarHBondContact O-N 2.91Å; N580-G611 WeakPolarHBondContact CB-O 3.06Å; N580-G611 PolarHBondContact ND2-O 3Å
612G89.1Confident91Very high37 Ų3750.7 Ų50.738%0.38126%0.263SS..SBendtrans85.2-165.6-176.400000113.9T547T547-G612 PolarHBondContact N-O 3.47Å; T547-G612 PolarHBondContact OG1-N 3.01Å; T547-G612 PolarHBondContact OG1-O 3.47Å
613T88.6Confident90.9Very high66 Ų6650 Ų5041%0.40526%0.26SS..  trans-96.8-166.7-176.4670000111.6S546 N580 S581 D641S546-T613 VanDerWaalsContact CB-O 3.27Å; S546-T613 WeakPolarHBondContact CB-O 3.45Å; N580-T613 CarbonylContact C-O 3.35Å; N580-T613 WeakPolarHBondContact CA-O 2.99Å; N580-T613 WeakPolarHBondContact CB-O 3.27Å; S581-T613 PolarHBondContact N-O 3.46Å; S581-T613 PolarHBondContact OG-N 3.39Å; S581-T613 PolarHBondContact OG-OG1 3.04Å; T613-D641 WeakPolarHBondContact CB-OD1 3.3Å; T613-D641 WeakPolarHBondContact CB-OD2 3.28Å; T613-D641 PolarHBondContact OG1-OD2 2.95Å
614T88.3Confident90.6Very high13 Ų1345.2 Ų45.28%0.0824%0.24CC..  trans-122.476.7-169.4-53.30000111.9D544 S546 F579 T616 D641D544-T614 VanDerWaalsContact OD2-CG2 3.24Å; D544-T614 WeakPolarHBondContact OD2-CG2 3.46Å; S546-T614 WeakPolarHBondContact CB-OG1 3.44Å; S546-T614 PolarHBondContact OG-OG1 3.21Å; F579-T614 HydrophobicContact CE2-CG2 3.88Å; T614-T616 VanDerWaalsContact C-N 3.3Å; T614-T616 PolarHBondContact O-N 3.44Å; T614-D641 VanDerWaalsContact C-CG 3.42Å; T614-D641 VanDerWaalsContact N-CG 3.29Å; T614-D641 PolarHBondContact N-OD1 2.97Å; T614-D641 PolarHBondContact N-OD2 2.99Å; T614-D641 VanDerWaalsContact N-OD2 3.12Å; T614-D641 VanDerWaalsContact O-CG 3.31Å; T614-D641 PolarHBondContact O-N 3.3Å
615N88.7Confident90.2Very high30 Ų3050.3 Ų50.316%0.1627%0.266CS..  trans-83.564.7-176.6-167.7-8000112.9N580 S581 L617 K618 D641 Q642N580-N615 WeakPolarHBondContact O-CA 3.09Å; N580-N615 WeakPolarHBondContact O-CB 3.44Å; N580-N615 PolarHBondContact O-N 3.41Å; S581-N615 PolarHBondContact O-ND2 3Å; N615-L617 VanDerWaalsContact C-N 3.29Å; N615-L617 PolarHBondContact O-N 2.77Å; N615-K618 PolarHBondContact O-N 3.37Å; N615-K618 WeakPolarHBondContact OD1-CB 3.49Å; N615-K618 PolarHBondContact OD1-N 2.88Å; N615-D641 PolarHBondContact N-OD2 3.36Å; N615-Q642 PolarHBondContact OD1-NE2 3.25Å
616T88.4Confident89.9Confident3 Ų351.1 Ų51.12%0.01827%0.27CS..Hα-helixtrans-59.2-36.2-176.8-45.60000113T614 K618 A619 L620 L634 P640T614-T616 VanDerWaalsContact C-N 3.3Å; T614-T616 PolarHBondContact O-N 3.44Å; T616-K618 PolarHBondContact O-N 3.19Å; T616-A619 PolarHBondContact O-N 3.29Å; T616-L620 HydrophobicContact CG2-CD1 3.85Å; T616-L620 HydrophobicContact CG2-CG 4.33Å; T616-L620 WeakPolarHBondContact O-CG 3.24Å; T616-L620 PolarHBondContact O-N 3.06Å; T616-L634 HydrophobicContact CG2-CD1 4.06Å; T616-L634 HydrophobicContact CG2-CD2 3.69Å; T616-P640 WeakPolarHBondContact OG1-CB 3.37Å
617L88.3Confident89.6Confident31 Ų3153.7 Ų53.716%0.16229%0.287CS..Hα-helixtrans-60.3-48.1-178.3179.263.5000112.4N615 A619 L620 Q621 Q642 L647N615-L617 VanDerWaalsContact C-N 3.29Å; N615-L617 PolarHBondContact O-N 2.77Å; L617-A619 VanDerWaalsContact C-N 3.26Å; L617-A619 PolarHBondContact O-N 3.14Å; L617-L620 PolarHBondContact O-N 3.09Å; L617-Q621 HydrophobicContact CD1-CG 4.42Å; L617-Q621 WeakPolarHBondContact O-CG 3.48Å; L617-Q621 PolarHBondContact O-N 2.7Å; L617-Q642 HydrophobicContact CB-CG 3.97Å; L617-Q642 VanDerWaalsContact CB-OE1 3.31Å; L617-Q642 HydrophobicContact CD2-CG 4.08Å; L617-Q642 VanDerWaalsContact N-OE1 3.17Å; L617-L647 HydrophobicContact CB-CD2 3.88Å; L617-L647 HydrophobicContact CB-CG 4.35Å; L617-L647 HydrophobicContact CD1-CD2 3.79Å; L617-L647 HydrophobicContact CD1-CG 4.35Å; L617-L647 HydrophobicContact CG-CD2 4.44Å
618K88.8Confident89.3Confident99 Ų9950.3 Ų50.343%0.4328%0.277SS..Hα-helixtrans-66-33.3-178.8-168.7177.6176.6177.70111.7V583 N615 T616 F622V583-K618 HydrophobicContact CG2-CB 3.89Å; V583-K618 HydrophobicContact CG2-CD 4.01Å; V583-K618 HydrophobicContact CG2-CG 3.73Å; N615-K618 PolarHBondContact O-N 3.37Å; N615-K618 WeakPolarHBondContact OD1-CB 3.49Å; N615-K618 PolarHBondContact OD1-N 2.88Å; T616-K618 PolarHBondContact O-N 3.19Å; K618-F622 PolarHBondContact O-N 3.38Å
619A91.6Very high89.2Confident0 Ų050.3 Ų50.30%028%0.277CS..Hα-helixtrans-70.6-42.7178.400000111.7L542 I577 F579 V583 T616 L617 F622 A623L542-A619 HydrophobicContact CD2-CB 3.56Å; L542-A619 WeakPolarHBondContact CD2-O 3.09Å; I577-A619 HydrophobicContact CG2-CB 4.48Å; F579-A619 HydrophobicContact CB-CB 3.49Å; F579-A619 VanDerWaalsContact CB-CB 3.49Å; F579-A619 HydrophobicContact CD1-CB 3.84Å; F579-A619 HydrophobicContact CD2-CB 4.19Å; F579-A619 HydrophobicContact CG-CB 3.57Å; V583-A619 HydrophobicContact CG2-CB 4.05Å; T616-A619 PolarHBondContact O-N 3.29Å; L617-A619 VanDerWaalsContact C-N 3.26Å; L617-A619 PolarHBondContact O-N 3.14Å; A619-F622 PolarHBondContact O-N 2.8Å; A619-A623 PolarHBondContact O-N 3.42Å
620L89.8Confident89.2Confident1 Ų149 Ų491%0.00526%0.264CS..Hα-helixtrans-64.9-40173.4-74.3166.3000112.6L542 T616 L617 A623 L624 I632 L647 M651 I659 L678L542-L620 HydrophobicContact CD1-CD2 3.62Å; L542-L620 HydrophobicContact CD1-CG 4.22Å; T616-L620 HydrophobicContact CG2-CD1 3.85Å; T616-L620 HydrophobicContact CG2-CG 4.33Å; T616-L620 WeakPolarHBondContact O-CG 3.24Å; T616-L620 PolarHBondContact O-N 3.06Å; L617-L620 PolarHBondContact O-N 3.09Å; L620-A623 PolarHBondContact O-N 2.95Å; L620-L624 WeakPolarHBondContact O-CB 3.46Å; L620-L624 WeakPolarHBondContact O-CG 3.41Å; L620-L624 PolarHBondContact O-N 2.9Å; L620-L624 VanDerWaalsContact O-N 3.08Å; L620-I632 HydrophobicContact CD2-CG2 4.19Å; L620-L647 HydrophobicContact CD1-CD2 3.83Å; L620-M651 HydrophobicContact CB-CE 4.37Å; L620-M651 HydrophobicContact CD1-CE 4.48Å; L620-M651 HydrophobicContact CD1-SD 3.91Å; L620-I659 HydrophobicContact CD2-CD1 4.08Å; L620-I659 HydrophobicContact CD2-CG2 4.07Å; L620-L678 HydrophobicContact CD1-CD2 4.45Å
621Q88.1Confident89.2Confident92 Ų9247.7 Ų47.743%0.4326%0.255SS..Hα-helixtrans-58.1-49.5175.1-77172.7-26.700111.3L617 A623 L624 E625L617-Q621 HydrophobicContact CD1-CG 4.42Å; L617-Q621 WeakPolarHBondContact O-CG 3.48Å; L617-Q621 PolarHBondContact O-N 2.7Å; Q621-A623 VanDerWaalsContact C-N 3.33Å; Q621-A623 PolarHBondContact O-N 2.77Å; Q621-L624 PolarHBondContact O-N 3.09Å; Q621-L624 VanDerWaalsContact O-N 3.08Å; Q621-E625 WeakPolarHBondContact O-CG 3Å; Q621-E625 PolarHBondContact O-N 2.89Å
622F90.9Very high89.5Confident58 Ų5846.6 Ų46.625%0.25424%0.243SC..Hα-helixtrans-57-42.7177.8-168.2-76.9000112.7I577 V583 A585 K618 A619 L624I577-F622 HydrophobicContact CD1-CB 4.45Å; I577-F622 HydrophobicContact CD1-CD1 3.54Å; I577-F622 HydrophobicContact CD1-CE1 4.21Å; I577-F622 HydrophobicContact CD1-CG 4.35Å; I577-F622 HydrophobicContact CG1-CD1 4.23Å; I577-F622 HydrophobicContact CG1-CE1 4.49Å; V583-F622 HydrophobicContact CG1-CB 4.45Å; V583-F622 HydrophobicContact CG1-CD2 4.47Å; V583-F622 HydrophobicContact CG1-CG 4.42Å; A585-F622 HydrophobicContact CB-CE1 3.64Å; A585-F622 HydrophobicContact CB-CZ 3.64Å; K618-F622 PolarHBondContact O-N 3.38Å; A619-F622 PolarHBondContact O-N 2.8Å; F622-L624 VanDerWaalsContact C-N 3.32Å; F622-L624 PolarHBondContact O-N 2.81Å
623A91.3Very high89.8Confident0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-70.6-25.2178.400000113.9Y540 L542 I577 A619 L620 Q621 T629 I632Y540-A623 HydrophobicContact CD1-CB 3.99Å; Y540-A623 HydrophobicContact CD2-CB 4.27Å; Y540-A623 HydrophobicContact CG-CB 3.81Å; L542-A623 HydrophobicContact CD1-CB 4.48Å; I577-A623 HydrophobicContact CD1-CB 4.05Å; A619-A623 PolarHBondContact O-N 3.42Å; L620-A623 PolarHBondContact O-N 2.95Å; Q621-A623 VanDerWaalsContact C-N 3.33Å; Q621-A623 PolarHBondContact O-N 2.77Å; A623-T629 PolarHBondContact O-OG1 3.36Å; A623-I632 HydrophobicContact CB-CD1 3.81Å; A623-I632 HydrophobicContact CB-CG1 4.18Å
624L88.7Confident90.1Very high31 Ų3141.8 Ų41.816%0.16221%0.206CC..Hα-helixtrans-90.1-16178.6-74.2176.5000114.2L620 Q621 F622 D626 I632 M651 N654 V657L620-L624 WeakPolarHBondContact O-CB 3.46Å; L620-L624 WeakPolarHBondContact O-CG 3.41Å; L620-L624 PolarHBondContact O-N 2.9Å; L620-L624 VanDerWaalsContact O-N 3.08Å; Q621-L624 PolarHBondContact O-N 3.09Å; Q621-L624 VanDerWaalsContact O-N 3.08Å; F622-L624 VanDerWaalsContact C-N 3.32Å; F622-L624 PolarHBondContact O-N 2.81Å; L624-D626 PolarHBondContact O-N 3.47Å; L624-I632 HydrophobicContact CD2-CD1 3.63Å; L624-I632 HydrophobicContact CG-CD1 3.86Å; L624-M651 HydrophobicContact CD1-CE 3.34Å; L624-N654 HydrophobicContact CD1-CB 4.33Å; L624-V657 HydrophobicContact CD2-CB 3.84Å; L624-V657 HydrophobicContact CD2-CG1 4.3Å; L624-V657 HydrophobicContact CD2-CG2 3.97Å
625E88.3Confident90.4Very high145 Ų14541.1 Ų41.168%0.67820%0.202SC*.Hα-helixtrans-69.1-22172.8-77.8169.8-16200112.3Q621 N627Q621-E625 WeakPolarHBondContact O-CG 3Å; Q621-E625 PolarHBondContact O-N 2.89Å; E625-N627 PolarHBondContact O-N 3.15Å
626D87.9Confident90.6Very high16 Ų1639.9 Ų39.99%0.08620%0.195CC..  trans-83.4106.3175.2-168.4-19.1000111.3Y540 L590 L624 L628 T629Y540-D626 HydrophobicContact CE2-CB 3.76Å; Y540-D626 PolarHBondContact OH-OD2 3.27Å; L590-D626 WeakPolarHBondContact CG-OD2 3.21Å; L590-D626 PolarHBondContact N-OD2 3.26Å; L624-D626 PolarHBondContact O-N 3.47Å; D626-L628 PolarHBondContact O-N 2.79Å; D626-L628 WeakPolarHBondContact OD1-CB 3.33Å; D626-L628 PolarHBondContact OD1-N 3.02Å; D626-T629 WeakPolarHBondContact O-CB 3.39Å; D626-T629 PolarHBondContact O-N 3.01Å; D626-T629 VanDerWaalsContact O-N 3.08Å; D626-T629 PolarHBondContact O-OG1 2.97Å; D626-T629 VanDerWaalsContact O-OG1 3.07Å
627N86.1Confident90.7Very high167 Ų16741 Ų4189%0.89320%0.201SC*.THydrogen-bonded Turntrans-61.9-12.1179.9-71.2-48.1000114.6E625E625-N627 PolarHBondContact O-N 3.15Å
628L89.2Confident90.4Very high93 Ų9340.3 Ų40.349%0.48720%0.202SC..THydrogen-bonded Turntrans-89.5-5.2177.2-61178.3000113.2N538 L590 D626 E630N538-L628 WeakPolarHBondContact CB-O 3.27Å; L590-L628 HydrophobicContact CD1-CB 3.86Å; D626-L628 PolarHBondContact O-N 2.79Å; D626-L628 WeakPolarHBondContact OD1-CB 3.33Å; D626-L628 PolarHBondContact OD1-N 3.02Å; L628-E630 PolarHBondContact O-N 2.76Å
629T89.8Confident90.2Very high11 Ų1141.2 Ų41.27%0.06720%0.202CC..  trans-66.5119.5180-56.90000111.7Y540 A623 D626 I632 V657Y540-T629 HydrophobicContact CD2-CG2 3.83Å; Y540-T629 WeakPolarHBondContact CD2-OG1 3.47Å; Y540-T629 WeakPolarHBondContact CE2-OG1 3.38Å; A623-T629 PolarHBondContact O-OG1 3.36Å; D626-T629 WeakPolarHBondContact O-CB 3.39Å; D626-T629 PolarHBondContact O-N 3.01Å; D626-T629 VanDerWaalsContact O-N 3.08Å; D626-T629 PolarHBondContact O-OG1 2.97Å; D626-T629 VanDerWaalsContact O-OG1 3.07Å; T629-I632 HydrophobicContact CG2-CD1 4.18Å; T629-I632 HydrophobicContact CG2-CG1 3.64Å; T629-V657 HydrophobicContact CG2-CG1 3.75Å
630E91.1Very high89.8Confident85 Ų8542 Ų4240%0.39721%0.208SC..  trans-95.3-27.8172-74.3170.7-166.500112.5E536 D537 N538 L628 P658E536-E630 HydrophobicContact CB-CB 3.79Å; E536-E630 HydrophobicContact CG-CB 4.2Å; D537-E630 PolarHBondContact N-OE2 3.4Å; N538-E630 HydrophobicContact CB-CB 4.24Å; N538-E630 HydrophobicContact CB-CG 4.02Å; N538-E630 PolarHBondContact N-OE2 3.48Å; N538-E630 PolarHBondContact ND2-OE1 3.18Å; N538-E630 PolarHBondContact O-N 3.13Å; L628-E630 PolarHBondContact O-N 2.76Å; E630-P658 VanDerWaalsContact O-CD 3.25Å; E630-P658 WeakPolarHBondContact O-CD 3.47Å; E630-P658 WeakPolarHBondContact O-CG 3.37Å
631G92Very high89.4Confident0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-159.6148.3-179.300000113.2N538 V539 Y540N538-G631 PolarHBondContact O-N 2.94Å; V539-G631 WeakPolarHBondContact CA-O 3.33Å; Y540-G631 PolarHBondContact N-O 3.21Å
632I94.1Very high89Confident0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-122.3133.3-177.8-64.4172.6000108.6Y540 L542 L620 A623 L624 T629 V657 P658 I659 H660Y540-I632 CarbonylContact O-C 3.33Å; Y540-I632 WeakPolarHBondContact O-CA 3.35Å; L542-I632 HydrophobicContact CD1-CG2 3.29Å; L542-I632 HydrophobicContact CG-CG2 4.24Å; L620-I632 HydrophobicContact CD2-CG2 4.19Å; A623-I632 HydrophobicContact CB-CD1 3.81Å; A623-I632 HydrophobicContact CB-CG1 4.18Å; L624-I632 HydrophobicContact CD2-CD1 3.63Å; L624-I632 HydrophobicContact CG-CD1 3.86Å; T629-I632 HydrophobicContact CG2-CD1 4.18Å; T629-I632 HydrophobicContact CG2-CG1 3.64Å; I632-V657 HydrophobicContact CD1-CG1 3.89Å; I632-V657 HydrophobicContact CG1-CG1 3.85Å; I632-P658 PolarHBondContact N-O 2.56Å; I632-I659 HydrophobicContact CB-CG1 4.06Å; I632-I659 HydrophobicContact CB-CG2 4.46Å; I632-I659 HydrophobicContact CD1-CG1 4.21Å; I632-I659 HydrophobicContact CG2-CG1 4.43Å; I632-I659 HydrophobicContact CG2-CG2 4.19Å; I632-I659 CarbonylContact O-C 3.42Å; I632-I659 WeakPolarHBondContact O-CA 3.43Å; I632-H660 PolarHBondContact O-N 3.39Å
633Y95.4Very high88.2Confident1 Ų148.2 Ų48.20%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-117111.9177.5-70.6-100.5000109.2I534 T535 E536 V539 Y540 I541 L542 H660 R685I534-Y633 WeakPolarHBondContact CA-OH 3.38Å; I534-Y633 HydrophobicContact CD1-CD1 3.56Å; I534-Y633 HydrophobicContact CD1-CD2 4.27Å; I534-Y633 HydrophobicContact CD1-CE1 3.35Å; I534-Y633 HydrophobicContact CD1-CE2 4.12Å; I534-Y633 HydrophobicContact CD1-CG 4.04Å; I534-Y633 HydrophobicContact CG2-CE2 3.92Å; T535-Y633 PolarHBondContact N-OH 3.05Å; T535-Y633 VanDerWaalsContact N-OH 3.09Å; T535-Y633 PolarHBondContact OG1-OH 2.85Å; E536-Y633 VanDerWaalsContact OE2-CE2 3.27Å; E536-Y633 WeakPolarHBondContact OE2-CE2 3.47Å; E536-Y633 VanDerWaalsContact OE2-CZ 3.31Å; E536-Y633 PolarHBondContact OE2-OH 3.38Å; V539-Y633 HydrophobicContact CG1-CD2 4.46Å; V539-Y633 HydrophobicContact CG1-CE2 4.02Å; Y540-Y633 PolarHBondContact O-N 3.19Å; I541-Y633 CarbonylContact C-O 3.55Å; I541-Y633 WeakPolarHBondContact CA-O 3.33Å; L542-Y633 PolarHBondContact N-O 2.9Å; Y633-H660 CarbonylContact C-O 3.54Å; Y633-H660 WeakPolarHBondContact CA-O 3.21Å; Y633-H660 HydrophobicContact CD1-CB 3.67Å; Y633-H660 HydrophobicContact CE1-CB 3.67Å; Y633-H660 AromaticContact CE1-CD2 3.59Å; Y633-H660 AromaticContact CE1-CG 3.67Å; Y633-H660 AromaticContact CE2-CD2 3.5Å; Y633-H660 VanDerWaalsContact CE2-CD2 3.5Å; Y633-H660 WeakPolarHBondContact CE2-CD2 3.29Å; Y633-H660 HydrophobicContact CG-CB 4.24Å; Y633-H660 AromaticContact CZ-CD2 3.21Å; Y633-H660 AromaticContact CZ-CG 3.78Å; Y633-H660 AromaticContact CZ-NE2 3.92Å; Y633-H660 PolarHBondContact OH-CD2 3.14Å; Y633-H660 PolarHBondContact OH-NE2 3.46Å; Y633-R685 PolarHBondContact OH-NH2 2.79Å
634L94.8Very high87.3Confident1 Ų151.1 Ų51.11%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-106.2112.3-176173.163.9000111L542 F579 T616 I659 H660 T661 I662 L675 L678L542-L634 HydrophobicContact CB-CB 4.45Å; L542-L634 HydrophobicContact CB-CD1 3.75Å; L542-L634 HydrophobicContact CD1-CB 4.39Å; L542-L634 HydrophobicContact CD1-CD1 4.23Å; F579-L634 HydrophobicContact CE1-CD1 3.55Å; F579-L634 HydrophobicContact CZ-CD1 3.55Å; T616-L634 HydrophobicContact CG2-CD1 4.06Å; T616-L634 HydrophobicContact CG2-CD2 3.69Å; L634-I659 HydrophobicContact CB-CG2 4.44Å; L634-H660 PolarHBondContact N-O 2.79Å; L634-T661 HydrophobicContact CD2-CG2 4.43Å; L634-T661 CarbonylContact O-C 3.57Å; L634-I662 PolarHBondContact O-N 2.85Å; L634-L675 HydrophobicContact CD2-CD2 4.44Å; L634-L678 HydrophobicContact CD2-CD2 3.93Å
635L95Very high86.5Confident0 Ų055.8 Ų55.80%028%0.278CS..EExtended strand (participates in β ladder)trans-103.5124.5174.2-174156.2000110.5L530 F531 L542 D544 M549 V556 I662 F664L530-L635 HydrophobicContact CD1-CD1 4.15Å; L530-L635 HydrophobicContact CD2-CD1 3.98Å; L530-L635 HydrophobicContact CG-CD1 4.11Å; F531-L635 HydrophobicContact CD1-CD1 4.49Å; F531-L635 HydrophobicContact CE1-CD1 3.66Å; F531-L635 HydrophobicContact CZ-CD1 3.89Å; L542-L635 PolarHBondContact O-N 2.9Å; D544-L635 VanDerWaalsContact CB-O 3.24Å; D544-L635 WeakPolarHBondContact CB-O 3.46Å; D544-L635 PolarHBondContact N-O 2.85Å; M549-L635 HydrophobicContact CE-CD2 3.42Å; M549-L635 VanDerWaalsContact CE-CD2 3.42Å; V556-L635 HydrophobicContact CG1-CD1 4.44Å; V556-L635 HydrophobicContact CG1-CD2 4.39Å; L635-I662 WeakPolarHBondContact CA-O 3.47Å; L635-I662 HydrophobicContact CB-CB 4.23Å; L635-I662 HydrophobicContact CB-CD1 4.4Å; L635-I662 HydrophobicContact CB-CG2 4.48Å; L635-I662 HydrophobicContact CD1-CG2 4.15Å; L635-I662 HydrophobicContact CG-CB 4.36Å; L635-I662 HydrophobicContact CG-CG2 4.08Å; L635-F664 HydrophobicContact CD2-CB 4.21Å; L635-F664 HydrophobicContact CG-CB 4.31Å
636T92.6Very high85.9Confident3 Ų352.3 Ų52.32%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-150.4153.9176.9178.20000111.7D544 G638 I662 F664 L675D544-T636 WeakPolarHBondContact OD2-CB 3.31Å; D544-T636 PolarHBondContact OD2-OG1 2.87Å; T636-G638 PolarHBondContact OG1-N 3.01Å; T636-I662 PolarHBondContact N-O 3Å; T636-I662 VanDerWaalsContact N-O 3.14Å; T636-F664 PolarHBondContact O-N 3.44Å; T636-L675 HydrophobicContact CG2-CD1 3.92Å; T636-L675 HydrophobicContact CG2-CD2 3.78Å; T636-L675 HydrophobicContact CG2-CG 4.47Å
637D90.4Very high85.3Confident28 Ų2851.6 Ų51.615%0.1526%0.263CS..SBendtrans-102.21.4175.270-8.9000114.1S548 M549 F664 C666S548-D637 WeakPolarHBondContact CB-OD2 3.49Å; S548-D637 VanDerWaalsContact OG-CG 3.29Å; S548-D637 PolarHBondContact OG-OD1 3.44Å; S548-D637 PolarHBondContact OG-OD2 3.48Å; S548-D637 VanDerWaalsContact OG-OD2 3.1Å; M549-D637 HydrophobicContact CG-CB 4.47Å; M549-D637 PolarHBondContact N-OD2 3.05Å; M549-D637 HydrophobicContact SD-CB 3.62Å; D637-F664 VanDerWaalsContact CA-O 3.25Å; D637-F664 WeakPolarHBondContact CA-O 3.48Å; D637-F664 WeakPolarHBondContact CB-O 3.44Å; D637-C666 VanDerWaalsContact O-CB 3.3Å; D637-C666 WeakPolarHBondContact O-CB 3.36Å; D637-C666 PolarHBondContact O-SG 2.92Å
638G83Confident84.7Confident16 Ų1644.1 Ų44.117%0.16522%0.223CC..SBendtrans-152.4-163.2-168.200000116T636T636-G638 PolarHBondContact OG1-N 3.01Å
639R83.9Confident83.6Confident118 Ų11843.7 Ų43.745%0.44522%0.221SC..  trans-86.9148.8176.5-60.9-179.6-169.4-147-5110.3D668 E670 A671R639-D668 IonicContact CZ-OD1 3.65Å; R639-D668 IonicContact CZ-OD2 2.77Å; R639-D668 IonicContact NE-OD1 3.96Å; R639-D668 IonicContact NE-OD2 2.89Å; R639-D668 PolarHBondContact NE-OD2 3.13Å; R639-D668 VanDerWaalsContact NH2-CG 3.34Å; R639-D668 IonicContact NH2-OD1 2.91Å; R639-D668 PolarHBondContact NH2-OD1 3.03Å; R639-D668 IonicContact NH2-OD2 3.88Å; R639-D668 PolarHBondContact NH2-OD2 3.42Å; R639-E670 IonicContact CZ-OE2 3.41Å; R639-E670 IonicContact NH1-OE2 2.7Å; R639-E670 PolarHBondContact NH1-OE2 2.58Å; R639-E670 IonicContact NH2-OE2 3.18Å; R639-E670 PolarHBondContact NH2-OE2 3.28Å; R639-A671 HydrophobicContact CG-CB 3.86Å
640P84Confident82.6Confident17 Ų1745 Ų4511%0.1123%0.23CC..  trans-66153.4167.131-37.5000111.6T616 Q642 L647 F674T616-P640 WeakPolarHBondContact OG1-CB 3.37Å; P640-Q642 WeakPolarHBondContact CG-O 3.45Å; P640-Q642 PolarHBondContact O-N 3.47Å; P640-L647 HydrophobicContact CB-CD1 3.49Å; P640-L647 VanDerWaalsContact CB-CD1 3.49Å; P640-L647 HydrophobicContact CG-CD1 3.58Å; P640-F674 HydrophobicContact CB-CE1 4.43Å; P640-F674 HydrophobicContact CG-CD1 4.05Å; P640-F674 HydrophobicContact CG-CE1 3.56Å; P640-F674 HydrophobicContact CG-CZ 4.02Å
641D80.7Confident81.5Confident84 Ų8441.5 Ų41.545%0.44921%0.214SC..SBendtrans-62.2-25170.2-70.3-13000112.3T613 T614 N615T613-D641 WeakPolarHBondContact CB-OD1 3.3Å; T613-D641 WeakPolarHBondContact CB-OD2 3.28Å; T613-D641 PolarHBondContact OG1-OD2 2.95Å; T614-D641 VanDerWaalsContact C-CG 3.42Å; T614-D641 VanDerWaalsContact N-CG 3.29Å; T614-D641 PolarHBondContact N-OD1 2.97Å; T614-D641 PolarHBondContact N-OD2 2.99Å; T614-D641 VanDerWaalsContact N-OD2 3.12Å; T614-D641 VanDerWaalsContact O-CG 3.31Å; T614-D641 PolarHBondContact O-N 3.3Å; N615-D641 PolarHBondContact N-OD2 3.36Å
642Q80Confident80.2Confident45 Ų4546 Ų4621%0.2124%0.235CC..SBendtrans-92.5152.2-178.6-6385.428.200112.6N615 L617 P640 T644 L647N615-Q642 PolarHBondContact OD1-NE2 3.25Å; L617-Q642 HydrophobicContact CB-CG 3.97Å; L617-Q642 VanDerWaalsContact CB-OE1 3.31Å; L617-Q642 HydrophobicContact CD2-CG 4.08Å; L617-Q642 VanDerWaalsContact N-OE1 3.17Å; P640-Q642 WeakPolarHBondContact CG-O 3.45Å; P640-Q642 PolarHBondContact O-N 3.47Å; Q642-T644 PolarHBondContact O-N 3.3Å; Q642-L647 HydrophobicContact CB-CD1 3.93Å; Q642-L647 HydrophobicContact CB-CG 4.36Å
643Q73.7Confident78.6Confident152 Ų15253.1 Ų53.171%0.7127%0.273SS*.  trans-59125.2172.7-66-175.2-1.100110.8H645 T646 L647Q643-H645 PolarHBondContact O-N 3.38Å; Q643-T646 WeakPolarHBondContact O-CB 3.27Å; Q643-T646 PolarHBondContact O-N 2.96Å; Q643-L647 PolarHBondContact O-N 3.22Å
644T72.6Confident77.2Confident60 Ų6057.8 Ų57.837%0.36830%0.297SS..Hα-helixtrans-38.8-46.3176.2-60.50000113.4Q642 T646 L647 L648 F674Q642-T644 PolarHBondContact O-N 3.3Å; T644-T646 PolarHBondContact O-N 3.17Å; T644-L647 PolarHBondContact O-N 2.92Å; T644-L648 HydrophobicContact CG2-CD1 4Å; T644-L648 WeakPolarHBondContact O-CG 3.35Å; T644-L648 PolarHBondContact O-N 2.8Å; T644-F674 HydrophobicContact CG2-CB 4.13Å; T644-F674 HydrophobicContact CG2-CD2 3.28Å; T644-F674 HydrophobicContact CG2-CE2 4Å; T644-F674 HydrophobicContact CG2-CG 3.98Å
645H72.9Confident75.5Confident130 Ų13063.1 Ų63.160%0.60233%0.326SS*.Hα-helixtrans-66.6-36-178.2-171.2-97.5000113.4Q643 L649Q643-H645 PolarHBondContact O-N 3.38Å; H645-L649 VanDerWaalsContact CE1-CD1 3.44Å; H645-L649 WeakPolarHBondContact CE1-CD1 3.5Å; H645-L649 WeakPolarHBondContact ND1-CD1 3.04Å; H645-L649 WeakPolarHBondContact O-CB 3.45Å; H645-L649 WeakPolarHBondContact O-CG 3.4Å; H645-L649 PolarHBondContact O-N 2.84Å
646T75.2Confident74.6Confident72 Ų7274.4 Ų74.444%0.44237%0.369SS..Hα-helixtrans-68.4-39.9176.8-49.80000111.2Q643 T644 S650Q643-T646 WeakPolarHBondContact O-CB 3.27Å; Q643-T646 PolarHBondContact O-N 2.96Å; T644-T646 PolarHBondContact O-N 3.17Å; T646-S650 PolarHBondContact O-N 3.44Å; T646-S650 VanDerWaalsContact O-N 3.11Å; T646-S650 PolarHBondContact O-OG 3.49Å
647L74.8Confident74.3Confident0 Ų075.3 Ų75.30%037%0.374CS..Hα-helixtrans-60-56.4172.9-92.8154.1000110.6L617 L620 P640 Q642 Q643 T644 L649 S650 M651 F674L617-L647 HydrophobicContact CB-CD2 3.88Å; L617-L647 HydrophobicContact CB-CG 4.35Å; L617-L647 HydrophobicContact CD1-CD2 3.79Å; L617-L647 HydrophobicContact CD1-CG 4.35Å; L617-L647 HydrophobicContact CG-CD2 4.44Å; L620-L647 HydrophobicContact CD1-CD2 3.83Å; P640-L647 HydrophobicContact CB-CD1 3.49Å; P640-L647 VanDerWaalsContact CB-CD1 3.49Å; P640-L647 HydrophobicContact CG-CD1 3.58Å; Q642-L647 HydrophobicContact CB-CD1 3.93Å; Q642-L647 HydrophobicContact CB-CG 4.36Å; Q643-L647 PolarHBondContact O-N 3.22Å; T644-L647 PolarHBondContact O-N 2.92Å; L647-L649 PolarHBondContact O-N 3.44Å; L647-S650 PolarHBondContact O-N 2.79Å; L647-S650 VanDerWaalsContact O-N 3.07Å; L647-S650 PolarHBondContact O-OG 3.08Å; L647-M651 WeakPolarHBondContact O-CG 3.21Å; L647-M651 PolarHBondContact O-N 3.35Å; L647-M651 VanDerWaalsContact O-N 3.15Å; L647-F674 HydrophobicContact CB-CE2 4.18Å; L647-F674 HydrophobicContact CB-CZ 4.16Å; L647-F674 HydrophobicContact CD1-CZ 3.86Å; L647-F674 HydrophobicContact CG-CZ 4.5Å
648L73.1Confident74.3Confident11 Ų1175.2 Ų75.26%0.05838%0.375CS..Hα-helixtrans-56.6-46.2-179.9-65.3170.4000112.5T644 S650 M651 Q652 F674 R677 L678T644-L648 HydrophobicContact CG2-CD1 4Å; T644-L648 WeakPolarHBondContact O-CG 3.35Å; T644-L648 PolarHBondContact O-N 2.8Å; L648-S650 VanDerWaalsContact C-N 3.32Å; L648-S650 PolarHBondContact O-N 3.5Å; L648-M651 WeakPolarHBondContact O-CB 3.36Å; L648-M651 PolarHBondContact O-N 2.91Å; L648-Q652 WeakPolarHBondContact O-CG 3.43Å; L648-Q652 PolarHBondContact O-N 2.59Å; L648-F674 HydrophobicContact CD2-CE2 4.38Å; L648-F674 HydrophobicContact CG-CE2 4.34Å; L648-R677 HydrophobicContact CD1-CB 4.42Å; L648-R677 HydrophobicContact CD2-CB 4.42Å; L648-L678 HydrophobicContact CD2-CB 4.22Å; L648-L678 HydrophobicContact CD2-CD1 3.9Å
649L67.6Low74.7Confident83 Ų8374.6 Ų74.644%0.43537%0.368SS..Hα-helixtrans-56.4-42.2174.6-86.2170.7000113.4H645 L647 M651H645-L649 VanDerWaalsContact CE1-CD1 3.44Å; H645-L649 WeakPolarHBondContact CE1-CD1 3.5Å; H645-L649 WeakPolarHBondContact ND1-CD1 3.04Å; H645-L649 WeakPolarHBondContact O-CB 3.45Å; H645-L649 WeakPolarHBondContact O-CG 3.4Å; H645-L649 PolarHBondContact O-N 2.84Å; L647-L649 PolarHBondContact O-N 3.44Å; L649-M651 PolarHBondContact O-N 3.06Å
650S68.7Low75.2Confident38 Ų3869.5 Ų69.527%0.26635%0.349SS..Hα-helixtrans-66.8-27.3178.372.90000112.8T646 L647 L648T646-S650 PolarHBondContact O-N 3.44Å; T646-S650 VanDerWaalsContact O-N 3.11Å; T646-S650 PolarHBondContact O-OG 3.49Å; L647-S650 PolarHBondContact O-N 2.79Å; L647-S650 VanDerWaalsContact O-N 3.07Å; L647-S650 PolarHBondContact O-OG 3.08Å; L648-S650 VanDerWaalsContact C-N 3.32Å; L648-S650 PolarHBondContact O-N 3.5Å
651M67.9Low75.7Confident13 Ų1368.7 Ų68.76%0.06434%0.344CS..Hα-helixtrans-80.1-43.9-179.3-52.7-100.869.200111.3L620 L624 L647 L648 L649 L653 N654 I659 L678L620-M651 HydrophobicContact CB-CE 4.37Å; L620-M651 HydrophobicContact CD1-CE 4.48Å; L620-M651 HydrophobicContact CD1-SD 3.91Å; L624-M651 HydrophobicContact CD1-CE 3.34Å; L647-M651 WeakPolarHBondContact O-CG 3.21Å; L647-M651 PolarHBondContact O-N 3.35Å; L647-M651 VanDerWaalsContact O-N 3.15Å; L648-M651 WeakPolarHBondContact O-CB 3.36Å; L648-M651 PolarHBondContact O-N 2.91Å; L649-M651 PolarHBondContact O-N 3.06Å; M651-L653 PolarHBondContact O-N 2.79Å; M651-L653 VanDerWaalsContact O-N 3.09Å; M651-N654 PolarHBondContact O-N 3.09Å; M651-I659 HydrophobicContact CE-CD1 3.52Å; M651-I659 HydrophobicContact SD-CD1 3.25Å; M651-I659 WeakPolarHBondContact SD-CD1 3.37Å; M651-L678 HydrophobicContact CG-CD1 3.74Å; M651-L678 HydrophobicContact SD-CD1 3.59Å; M651-L678 VanDerWaalsContact SD-CD1 3.59Å
652Q63.3Low76.3Confident95 Ų9564.7 Ų64.744%0.44432%0.323SS..Hα-helixtrans-56.4-27179.1-71.8177.66.200113.5L648 N655 E681L648-Q652 WeakPolarHBondContact O-CG 3.43Å; L648-Q652 PolarHBondContact O-N 2.59Å; Q652-N655 WeakPolarHBondContact O-CB 3.49Å; Q652-E681 PolarHBondContact NE2-OE2 3.14Å
653L61.4Low76.9Confident149 Ų14962.6 Ų62.678%0.7831%0.313SS*.Hα-helixtrans-78-29.2177.3-67.2168.9000113.1M651 N655M651-L653 PolarHBondContact O-N 2.79Å; M651-L653 VanDerWaalsContact O-N 3.09Å; L653-N655 PolarHBondContact O-N 2.94Å
654N66.1Low77.8Confident98 Ų9855.4 Ų55.452%0.52428%0.279SS..THydrogen-bonded Turntrans-101.839-176.2-87.6-1.5000112.6L624 M651 R656L624-N654 HydrophobicContact CD1-CB 4.33Å; M651-N654 PolarHBondContact O-N 3.09Å; N654-R656 VanDerWaalsContact C-N 3.25Å; N654-R656 PolarHBondContact O-N 3.19Å
655N59.9Low78.4Confident113 Ų11354 Ų5460%0.60427%0.269SS*.THydrogen-bonded Turntrans-68.847.6-158.8-134.421.1000117.2Q652 L653Q652-N655 WeakPolarHBondContact O-CB 3.49Å; L653-N655 PolarHBondContact O-N 2.94Å
656R74.4Confident78.8Confident238 Ų23848 Ų4890%0.89824%0.242SC*.THydrogen-bonded Turntrans-123.1-19.4-176.9-68-170.3179.9-177.92.1115.7N654N654-R656 VanDerWaalsContact C-N 3.25Å; N654-R656 PolarHBondContact O-N 3.19Å
657V86.7Confident79.1Confident21 Ų2149.1 Ų49.113%0.12725%0.245CC..SBendtrans-120.5119.5-169.5-177.70000110.5L624 T629 I632L624-V657 HydrophobicContact CD2-CB 3.84Å; L624-V657 HydrophobicContact CD2-CG1 4.3Å; L624-V657 HydrophobicContact CD2-CG2 3.97Å; T629-V657 HydrophobicContact CG2-CG1 3.75Å; I632-V657 HydrophobicContact CD1-CG1 3.89Å; I632-V657 HydrophobicContact CG1-CG1 3.85Å
658P91Very high79.6Confident27 Ų2751.3 Ų51.318%0.17526%0.257CS..  trans-65.3133.5173.426.8-35.6000112.1E536 E630 I632 S682E536-P658 HydrophobicContact CG-CG 4.5Å; E630-P658 VanDerWaalsContact O-CD 3.25Å; E630-P658 WeakPolarHBondContact O-CD 3.47Å; E630-P658 WeakPolarHBondContact O-CG 3.37Å; I632-P658 PolarHBondContact N-O 2.56Å; P658-S682 WeakPolarHBondContact CA-O 3.41Å
659I91.8Very high80.1Confident3 Ų354 Ų542%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-112.9102.6177.3-59161.7000108.4L620 I632 L634 M651 T661 A679 S682L620-I659 HydrophobicContact CD2-CD1 4.08Å; L620-I659 HydrophobicContact CD2-CG2 4.07Å; I632-I659 HydrophobicContact CB-CG1 4.06Å; I632-I659 HydrophobicContact CB-CG2 4.46Å; I632-I659 HydrophobicContact CD1-CG1 4.21Å; I632-I659 HydrophobicContact CG2-CG1 4.43Å; I632-I659 HydrophobicContact CG2-CG2 4.19Å; I632-I659 CarbonylContact O-C 3.42Å; I632-I659 WeakPolarHBondContact O-CA 3.43Å; L634-I659 HydrophobicContact CB-CG2 4.44Å; M651-I659 HydrophobicContact CE-CD1 3.52Å; M651-I659 HydrophobicContact SD-CD1 3.25Å; M651-I659 WeakPolarHBondContact SD-CD1 3.37Å; I659-T661 HydrophobicContact CG2-CG2 4.37Å; I659-A679 WeakPolarHBondContact O-CA 3.2Å; I659-S682 WeakPolarHBondContact CB-OG 3.44Å; I659-S682 PolarHBondContact N-OG 2.91Å; I659-S682 PolarHBondContact O-OG 3.38Å
660H93.8Very high81Confident11 Ų1155.8 Ų55.85%0.05128%0.281CS..EExtended strand (participates in β ladder)trans-80.4121.9175.5-50.7-81.1000108.9E536 I632 Y633 L634 R685E536-H660 IonicContact OE1-CE1 3.26Å; E536-H660 PolarHBondContact OE1-CE1 2.9Å; E536-H660 IonicContact OE1-NE2 3.74Å; E536-H660 PolarHBondContact OE1-NE2 2.99Å; E536-H660 IonicContact OE2-CD2 2.72Å; E536-H660 IonicContact OE2-NE2 2.71Å; E536-H660 PolarHBondContact OE2-NE2 2.74Å; I632-H660 PolarHBondContact O-N 3.39Å; Y633-H660 CarbonylContact C-O 3.54Å; Y633-H660 WeakPolarHBondContact CA-O 3.21Å; Y633-H660 HydrophobicContact CD1-CB 3.67Å; Y633-H660 HydrophobicContact CE1-CB 3.67Å; Y633-H660 AromaticContact CE1-CD2 3.59Å; Y633-H660 AromaticContact CE1-CG 3.67Å; Y633-H660 AromaticContact CE2-CD2 3.5Å; Y633-H660 VanDerWaalsContact CE2-CD2 3.5Å; Y633-H660 WeakPolarHBondContact CE2-CD2 3.29Å; Y633-H660 HydrophobicContact CG-CB 4.24Å; Y633-H660 AromaticContact CZ-CD2 3.21Å; Y633-H660 AromaticContact CZ-CG 3.78Å; Y633-H660 AromaticContact CZ-NE2 3.92Å; Y633-H660 PolarHBondContact OH-CD2 3.14Å; Y633-H660 PolarHBondContact OH-NE2 3.46Å; L634-H660 PolarHBondContact N-O 2.79Å; H660-R685 CarbonylContact C-O 3.58Å; H660-R685 VanDerWaalsContact CA-O 3.24Å; H660-R685 WeakPolarHBondContact CA-O 3.27Å; H660-R685 PolarHBondContact CE1-NE 3.49Å; H660-R685 PolarHBondContact ND1-N 3.32Å; H660-R685 PolarHBondContact ND1-NE 2.88Å; H660-R685 VanDerWaalsContact ND1-NE 3.12Å
661T93.5Very high81.8Confident0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-104.2131.3-17755.80000110.6L634 I659 L675 L678 A679 R685 F686 H687L634-T661 HydrophobicContact CD2-CG2 4.43Å; L634-T661 CarbonylContact O-C 3.57Å; I659-T661 HydrophobicContact CG2-CG2 4.37Å; T661-L675 HydrophobicContact CG2-CB 4.43Å; T661-L675 HydrophobicContact CG2-CD2 4.08Å; T661-L675 WeakPolarHBondContact CG2-O 3.38Å; T661-L675 PolarHBondContact OG1-O 2.77Å; T661-L678 HydrophobicContact CG2-CB 4.18Å; T661-L678 HydrophobicContact CG2-CD2 3.91Å; T661-L678 HydrophobicContact CG2-CG 4.21Å; T661-A679 HydrophobicContact CG2-CB 4.3Å; T661-A679 WeakPolarHBondContact OG1-CB 3.48Å; T661-R685 PolarHBondContact N-O 3.21Å; T661-F686 CarbonylContact O-C 3.6Å; T661-F686 WeakPolarHBondContact O-CA 3.45Å; T661-H687 PolarHBondContact O-N 3.1Å
662I94.5Very high82.8Confident0 Ų053.4 Ų53.40%027%0.266CS..EExtended strand (participates in β ladder)trans-116.4103.7-179.9-60.8153.3000106.9L530 F531 L634 L635 T636 H687L530-I662 HydrophobicContact CD1-CG2 3.77Å; L530-I662 HydrophobicContact CG-CG2 4.41Å; L530-I662 VanDerWaalsContact O-CG2 3.24Å; L530-I662 WeakPolarHBondContact O-CG2 3.28Å; F531-I662 HydrophobicContact CB-CD1 4.32Å; F531-I662 HydrophobicContact CD1-CD1 3.51Å; F531-I662 HydrophobicContact CE1-CD1 4.22Å; F531-I662 HydrophobicContact CG-CD1 4.28Å; L634-I662 PolarHBondContact O-N 2.85Å; L635-I662 WeakPolarHBondContact CA-O 3.47Å; L635-I662 HydrophobicContact CB-CB 4.23Å; L635-I662 HydrophobicContact CB-CD1 4.4Å; L635-I662 HydrophobicContact CB-CG2 4.48Å; L635-I662 HydrophobicContact CD1-CG2 4.15Å; L635-I662 HydrophobicContact CG-CB 4.36Å; L635-I662 HydrophobicContact CG-CG2 4.08Å; T636-I662 PolarHBondContact N-O 3Å; T636-I662 VanDerWaalsContact N-O 3.14Å; I662-H687 WeakPolarHBondContact CA-O 3.37Å; I662-H687 HydrophobicContact CB-CB 4.48Å; I662-H687 HydrophobicContact CG1-CB 3.99Å
663S92.6Very high84Confident0 Ų053.1 Ų53.10%027%0.265CS..EExtended strand (participates in β ladder)trans-78.1117.6167.9173.80000109.1C666 N672 H687 Y689S663-C666 WeakPolarHBondContact OG-CB 3.42Å; S663-N672 VanDerWaalsContact CB-OD1 3.24Å; S663-N672 WeakPolarHBondContact CB-OD1 3.37Å; S663-N672 PolarHBondContact OG-OD1 3.45Å; S663-H687 PolarHBondContact N-O 2.94Å; S663-Y689 PolarHBondContact O-N 3.46Å
664F91.2Very high85.3Confident1 Ų146.3 Ų46.30%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-116.6116.7-175.9173.8-101000110.3L530 M549 F555 V556 L635 T636 D637 C666 Y689L530-F664 HydrophobicContact CD1-CB 4.41Å; L530-F664 HydrophobicContact CD1-CD2 3.53Å; L530-F664 HydrophobicContact CD1-CE2 4.29Å; L530-F664 HydrophobicContact CD1-CG 4.34Å; M549-F664 HydrophobicContact CE-CD1 4.3Å; M549-F664 HydrophobicContact SD-CD1 4.02Å; M549-F664 HydrophobicContact SD-CE1 4.49Å; F555-F664 AromaticContact CD1-CE2 3.74Å; F555-F664 HydrophobicContact CD1-CE2 3.74Å; F555-F664 AromaticContact CD1-CZ 3.85Å; F555-F664 HydrophobicContact CD1-CZ 3.85Å; F555-F664 AromaticContact CE1-CE2 3.8Å; F555-F664 HydrophobicContact CE1-CE2 3.8Å; F555-F664 HydrophobicContact CE1-CZ 4.36Å; V556-F664 HydrophobicContact CG2-CD1 4.3Å; V556-F664 HydrophobicContact CG2-CE1 3.94Å; V556-F664 HydrophobicContact CG2-CZ 4.05Å; L635-F664 HydrophobicContact CD2-CB 4.21Å; L635-F664 HydrophobicContact CG-CB 4.31Å; T636-F664 PolarHBondContact O-N 3.44Å; D637-F664 VanDerWaalsContact CA-O 3.25Å; D637-F664 WeakPolarHBondContact CA-O 3.48Å; D637-F664 WeakPolarHBondContact CB-O 3.44Å; F664-C666 PolarHBondContact O-N 3.32Å; F664-Y689 AromaticContact CD2-CD1 3.7Å; F664-Y689 HydrophobicContact CD2-CD1 3.7Å; F664-Y689 HydrophobicContact CD2-CG 4.43Å; F664-Y689 AromaticContact CE2-CD1 3.63Å; F664-Y689 HydrophobicContact CE2-CD1 3.63Å; F664-Y689 HydrophobicContact CE2-CE1 4.01Å
665N85.3Confident86.4Confident30 Ų3041.7 Ų41.716%0.1620%0.204CC..SBendtrans55.111.8-177.7-69.6-10.6000115.3N667 Y689 N690 E691N665-N667 PolarHBondContact O-N 3.12Å; N665-Y689 PolarHBondContact N-O 2.96Å; N665-N690 WeakPolarHBondContact OD1-CA 3.22Å; N665-E691 PolarHBondContact ND2-OE2 2.93Å; N665-E691 WeakPolarHBondContact OD1-CB 3.45Å; N665-E691 PolarHBondContact OD1-N 3.03Å
666C83.1Confident87.8Confident6 Ų638 Ų384%0.04118%0.184CC..  trans-83.5109.7-175.5-165.30000112.4D637 S663 F664 N672 Y688D637-C666 VanDerWaalsContact O-CB 3.3Å; D637-C666 WeakPolarHBondContact O-CB 3.36Å; D637-C666 PolarHBondContact O-SG 2.92Å; S663-C666 WeakPolarHBondContact OG-CB 3.42Å; F664-C666 PolarHBondContact O-N 3.32Å; C666-N672 PolarHBondContact O-ND2 3.03Å; C666-Y688 WeakPolarHBondContact O-CE2 3.42Å
667N80.3Confident88.5Confident95 Ų9532.1 Ų32.151%0.50816%0.162SC..  trans-90.66.5176.4-70.5-59000113.9N665 P669N665-N667 PolarHBondContact O-N 3.12Å; N667-P669 WeakPolarHBondContact O-CD 3.24Å
668D84.6Confident88.6Confident46 Ų4631.1 Ų31.125%0.24616%0.156CC..  trans-85.8118.4-177.9-176.9-12.8000111.3R639 E670 A671 N672R639-D668 IonicContact CZ-OD1 3.65Å; R639-D668 IonicContact CZ-OD2 2.77Å; R639-D668 IonicContact NE-OD1 3.96Å; R639-D668 IonicContact NE-OD2 2.89Å; R639-D668 PolarHBondContact NE-OD2 3.13Å; R639-D668 VanDerWaalsContact NH2-CG 3.34Å; R639-D668 IonicContact NH2-OD1 2.91Å; R639-D668 PolarHBondContact NH2-OD1 3.03Å; R639-D668 IonicContact NH2-OD2 3.88Å; R639-D668 PolarHBondContact NH2-OD2 3.42Å; D668-E670 VanDerWaalsContact C-N 3.35Å; D668-E670 PolarHBondContact O-N 2.7Å; D668-E670 PolarHBondContact OD1-N 3.46Å; D668-A671 HydrophobicContact CB-CB 3.88Å; D668-A671 PolarHBondContact O-N 3.29Å; D668-N672 PolarHBondContact O-N 3.19Å; D668-N672 PolarHBondContact O-ND2 3.12Å
669P85.2Confident88.5Confident68 Ų6829.9 Ų29.944%0.44215%0.148SC..Hα-helixtrans-61.5-37.2-179.9-25.936.8000114.4N667 E673 W702N667-P669 WeakPolarHBondContact O-CD 3.24Å; P669-E673 VanDerWaalsContact O-CB 3.3Å; P669-E673 WeakPolarHBondContact O-CB 3.34Å; P669-E673 PolarHBondContact O-N 3.36Å; P669-W702 HydrophobicContact CB-CZ2 3.89Å
670E85.1Confident88.3Confident119 Ų11935.5 Ų35.556%0.55617%0.174SC*.Hα-helixtrans-75.4-33.1-176.2-62.7175.5-17600110.9R639 D668 F674R639-E670 IonicContact CZ-OE2 3.41Å; R639-E670 IonicContact NH1-OE2 2.7Å; R639-E670 PolarHBondContact NH1-OE2 2.58Å; R639-E670 IonicContact NH2-OE2 3.18Å; R639-E670 PolarHBondContact NH2-OE2 3.28Å; D668-E670 VanDerWaalsContact C-N 3.35Å; D668-E670 PolarHBondContact O-N 2.7Å; D668-E670 PolarHBondContact OD1-N 3.46Å; E670-F674 WeakPolarHBondContact O-CB 3.03Å; E670-F674 PolarHBondContact O-N 3.48Å
671A86.6Confident87.9Confident1 Ų138.2 Ų38.21%0.00819%0.187CC..Hα-helixtrans-67.4-46.9172.400000111.3R639 D668 F674 L675R639-A671 HydrophobicContact CG-CB 3.86Å; D668-A671 HydrophobicContact CB-CB 3.88Å; D668-A671 PolarHBondContact O-N 3.29Å; A671-F674 WeakPolarHBondContact O-CB 3.15Å; A671-F674 PolarHBondContact O-N 2.91Å; A671-L675 WeakPolarHBondContact O-CG 3.22Å; A671-L675 PolarHBondContact O-N 3.13Å
672N89.2Confident87.6Confident0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-62.2-43.1175.9-76.2-56.6000112S663 C666 D668 F674 L675 I676 W702S663-N672 VanDerWaalsContact CB-OD1 3.24Å; S663-N672 WeakPolarHBondContact CB-OD1 3.37Å; S663-N672 PolarHBondContact OG-OD1 3.45Å; C666-N672 PolarHBondContact O-ND2 3.03Å; D668-N672 PolarHBondContact O-N 3.19Å; D668-N672 PolarHBondContact O-ND2 3.12Å; N672-F674 PolarHBondContact O-N 2.92Å; N672-L675 PolarHBondContact O-N 3.09Å; N672-I676 WeakPolarHBondContact O-CB 3.38Å; N672-I676 WeakPolarHBondContact O-CD1 3.37Å; N672-I676 VanDerWaalsContact O-CG1 3.24Å; N672-I676 WeakPolarHBondContact O-CG1 3.47Å; N672-I676 PolarHBondContact O-N 3.01Å; N672-W702 HydrophobicContact CB-CD2 3.77Å; N672-W702 HydrophobicContact CB-CE3 3.86Å; N672-W702 HydrophobicContact CB-CG 4.4Å; N672-W702 HydrophobicContact CB-CH2 4.04Å; N672-W702 HydrophobicContact CB-CZ2 3.97Å; N672-W702 HydrophobicContact CB-CZ3 3.98Å
673E87.6Confident87.1Confident90 Ų9041.7 Ų41.742%0.42122%0.219SC..Hα-helixtrans-63.3-40.7175.3-175.2173.1-169.100112P669 I676 R677P669-E673 VanDerWaalsContact O-CB 3.3Å; P669-E673 WeakPolarHBondContact O-CB 3.34Å; P669-E673 PolarHBondContact O-N 3.36Å; E673-I676 PolarHBondContact O-N 2.91Å; E673-R677 VanDerWaalsContact O-CG 3.32Å; E673-R677 WeakPolarHBondContact O-CG 3.42Å; E673-R677 PolarHBondContact O-N 3.17Å; E673-R677 IonicContact OE1-CZ 2.73Å; E673-R677 IonicContact OE1-NE 3.63Å; E673-R677 PolarHBondContact OE1-NE 3.23Å; E673-R677 IonicContact OE1-NH2 4Å; E673-R677 PolarHBondContact OE1-NH2 2.9Å
674F88.3Confident86.9Confident5 Ų542.1 Ų42.12%0.02222%0.224CC..Hα-helixtrans-58.6-49.7172.9166-118.8000112P640 T644 L647 L648 E670 A671 N672 I676 R677 L678P640-F674 HydrophobicContact CB-CE1 4.43Å; P640-F674 HydrophobicContact CG-CD1 4.05Å; P640-F674 HydrophobicContact CG-CE1 3.56Å; P640-F674 HydrophobicContact CG-CZ 4.02Å; T644-F674 HydrophobicContact CG2-CB 4.13Å; T644-F674 HydrophobicContact CG2-CD2 3.28Å; T644-F674 HydrophobicContact CG2-CE2 4Å; T644-F674 HydrophobicContact CG2-CG 3.98Å; L647-F674 HydrophobicContact CB-CE2 4.18Å; L647-F674 HydrophobicContact CB-CZ 4.16Å; L647-F674 HydrophobicContact CD1-CZ 3.86Å; L647-F674 HydrophobicContact CG-CZ 4.5Å; L648-F674 HydrophobicContact CD2-CE2 4.38Å; L648-F674 HydrophobicContact CG-CE2 4.34Å; E670-F674 WeakPolarHBondContact O-CB 3.03Å; E670-F674 PolarHBondContact O-N 3.48Å; A671-F674 WeakPolarHBondContact O-CB 3.15Å; A671-F674 PolarHBondContact O-N 2.91Å; N672-F674 PolarHBondContact O-N 2.92Å; F674-I676 VanDerWaalsContact C-N 3.33Å; F674-I676 PolarHBondContact O-N 3.21Å; F674-R677 PolarHBondContact O-N 3.19Å; F674-L678 HydrophobicContact CE1-CD2 4.32Å; F674-L678 HydrophobicContact CE2-CB 4.3Å; F674-L678 HydrophobicContact CE2-CD1 4.38Å; F674-L678 HydrophobicContact CE2-CD2 4.44Å; F674-L678 HydrophobicContact CZ-CB 4.5Å; F674-L678 HydrophobicContact CZ-CD1 4.44Å; F674-L678 HydrophobicContact CZ-CD2 3.87Å; F674-L678 WeakPolarHBondContact O-CB 3.41Å; F674-L678 PolarHBondContact O-N 3.12Å
675L90.4Very high86.9Confident2 Ų242.7 Ų42.71%0.0123%0.226CC..Hα-helixtrans-63.7-38-179.6-68.1172.8000112.1L634 T636 T661 A671 N672 L678 A679 F686L634-L675 HydrophobicContact CD2-CD2 4.44Å; T636-L675 HydrophobicContact CG2-CD1 3.92Å; T636-L675 HydrophobicContact CG2-CD2 3.78Å; T636-L675 HydrophobicContact CG2-CG 4.47Å; T661-L675 HydrophobicContact CG2-CB 4.43Å; T661-L675 HydrophobicContact CG2-CD2 4.08Å; T661-L675 WeakPolarHBondContact CG2-O 3.38Å; T661-L675 PolarHBondContact OG1-O 2.77Å; A671-L675 WeakPolarHBondContact O-CG 3.22Å; A671-L675 PolarHBondContact O-N 3.13Å; N672-L675 PolarHBondContact O-N 3.09Å; L675-L678 PolarHBondContact O-N 2.81Å; L675-A679 PolarHBondContact O-N 3.48Å; L675-F686 HydrophobicContact CB-CD2 4.04Å; L675-F686 HydrophobicContact CB-CE2 3.82Å
676I89.6Confident87.3Confident35 Ų3541.7 Ų41.718%0.17922%0.22CC..Hα-helixtrans-61.9-47.4173-71.4164.4000110.8N672 E673 F674 A679 Q680 F686 W702N672-I676 WeakPolarHBondContact O-CB 3.38Å; N672-I676 WeakPolarHBondContact O-CD1 3.37Å; N672-I676 VanDerWaalsContact O-CG1 3.24Å; N672-I676 WeakPolarHBondContact O-CG1 3.47Å; N672-I676 PolarHBondContact O-N 3.01Å; E673-I676 PolarHBondContact O-N 2.91Å; F674-I676 VanDerWaalsContact C-N 3.33Å; F674-I676 PolarHBondContact O-N 3.21Å; I676-A679 PolarHBondContact O-N 2.85Å; I676-Q680 HydrophobicContact CG2-CG 4.44Å; I676-Q680 WeakPolarHBondContact O-CB 3.49Å; I676-Q680 VanDerWaalsContact O-CG 3.26Å; I676-Q680 WeakPolarHBondContact O-CG 3.4Å; I676-Q680 PolarHBondContact O-N 3.23Å; I676-F686 HydrophobicContact CB-CD2 4.46Å; I676-F686 HydrophobicContact CB-CG 4.49Å; I676-F686 HydrophobicContact CD1-CD1 4.12Å; I676-F686 HydrophobicContact CD1-CE1 3.98Å; I676-F686 HydrophobicContact CD1-CE2 4.5Å; I676-F686 HydrophobicContact CD1-CG 4.43Å; I676-F686 HydrophobicContact CD1-CZ 4.18Å; I676-F686 HydrophobicContact CG1-CB 4.04Å; I676-F686 HydrophobicContact CG1-CD1 3.61Å; I676-F686 HydrophobicContact CG1-CD2 3.54Å; I676-F686 HydrophobicContact CG1-CE1 3.84Å; I676-F686 HydrophobicContact CG1-CE2 3.79Å; I676-F686 HydrophobicContact CG1-CG 3.44Å; I676-F686 VanDerWaalsContact CG1-CG 3.44Å; I676-F686 HydrophobicContact CG1-CZ 3.92Å; I676-W702 HydrophobicContact CD1-CE3 3.76Å; I676-W702 HydrophobicContact CD1-CZ3 3.59Å
677R88.1Confident87.7Confident114 Ų11441.7 Ų41.743%0.4322%0.22SC..Hα-helixtrans-64-41.4178-70.8176.5-174.9-154.38.3111.7L648 E673 F674 A679 Q680 E681L648-R677 HydrophobicContact CD1-CB 4.42Å; L648-R677 HydrophobicContact CD2-CB 4.42Å; E673-R677 VanDerWaalsContact O-CG 3.32Å; E673-R677 WeakPolarHBondContact O-CG 3.42Å; E673-R677 PolarHBondContact O-N 3.17Å; E673-R677 IonicContact OE1-CZ 2.73Å; E673-R677 IonicContact OE1-NE 3.63Å; E673-R677 PolarHBondContact OE1-NE 3.23Å; E673-R677 IonicContact OE1-NH2 4Å; E673-R677 PolarHBondContact OE1-NH2 2.9Å; F674-R677 PolarHBondContact O-N 3.19Å; R677-A679 PolarHBondContact O-N 3.43Å; R677-Q680 PolarHBondContact O-N 3.48Å; R677-E681 WeakPolarHBondContact O-CB 3.32Å; R677-E681 WeakPolarHBondContact O-CG 3.39Å; R677-E681 PolarHBondContact O-N 3.13Å
678L88.5Confident88.2Confident1 Ų138.6 Ų38.61%0.00520%0.201CC..Hα-helixtrans-61.6-42.5177.9-171.666.7000112.3L620 L634 L648 M651 T661 F674 L675 S682L620-L678 HydrophobicContact CD1-CD2 4.45Å; L634-L678 HydrophobicContact CD2-CD2 3.93Å; L648-L678 HydrophobicContact CD2-CB 4.22Å; L648-L678 HydrophobicContact CD2-CD1 3.9Å; M651-L678 HydrophobicContact CG-CD1 3.74Å; M651-L678 HydrophobicContact SD-CD1 3.59Å; M651-L678 VanDerWaalsContact SD-CD1 3.59Å; T661-L678 HydrophobicContact CG2-CB 4.18Å; T661-L678 HydrophobicContact CG2-CD2 3.91Å; T661-L678 HydrophobicContact CG2-CG 4.21Å; F674-L678 HydrophobicContact CE1-CD2 4.32Å; F674-L678 HydrophobicContact CE2-CB 4.3Å; F674-L678 HydrophobicContact CE2-CD1 4.38Å; F674-L678 HydrophobicContact CE2-CD2 4.44Å; F674-L678 HydrophobicContact CZ-CB 4.5Å; F674-L678 HydrophobicContact CZ-CD1 4.44Å; F674-L678 HydrophobicContact CZ-CD2 3.87Å; F674-L678 WeakPolarHBondContact O-CB 3.41Å; F674-L678 PolarHBondContact O-N 3.12Å; L675-L678 PolarHBondContact O-N 2.81Å; L678-S682 WeakPolarHBondContact O-CB 3.46Å; L678-S682 PolarHBondContact O-N 2.79Å; L678-S682 PolarHBondContact O-OG 2.83Å
679A90.2Very high88.4Confident1 Ų138.2 Ų38.21%0.00820%0.196CC..Hα-helixtrans-65.4-46.3172.600000112I659 T661 L675 I676 R677 E681 S682 G683 G684 F686I659-A679 WeakPolarHBondContact O-CA 3.2Å; T661-A679 HydrophobicContact CG2-CB 4.3Å; T661-A679 WeakPolarHBondContact OG1-CB 3.48Å; L675-A679 PolarHBondContact O-N 3.48Å; I676-A679 PolarHBondContact O-N 2.85Å; R677-A679 PolarHBondContact O-N 3.43Å; A679-E681 PolarHBondContact O-N 3.32Å; A679-S682 PolarHBondContact O-N 3.39Å; A679-S682 PolarHBondContact O-OG 2.85Å; A679-S682 VanDerWaalsContact O-OG 3.12Å; A679-G683 CarbonylContact O-C 3.59Å; A679-G683 PolarHBondContact O-N 2.99Å; A679-G684 PolarHBondContact O-N 3.12Å; A679-F686 HydrophobicContact CB-CB 4.43Å
680Q87.6Confident88.4Confident120 Ų12036.3 Ų36.356%0.56118%0.183SC*.Hα-helixtrans-63.7-41.8-178.9-75174.61.200113.4I676 R677 G683I676-Q680 HydrophobicContact CG2-CG 4.44Å; I676-Q680 WeakPolarHBondContact O-CB 3.49Å; I676-Q680 VanDerWaalsContact O-CG 3.26Å; I676-Q680 WeakPolarHBondContact O-CG 3.4Å; I676-Q680 PolarHBondContact O-N 3.23Å; R677-Q680 PolarHBondContact O-N 3.48Å; Q680-G683 PolarHBondContact O-N 3.01Å
681E84.6Confident88.1Confident68 Ų6834 Ų3432%0.31817%0.172SC..Hα-helixtrans-72.8-34.1-178.9-72.2-174.7-155.500112.8Q652 R677 A679Q652-E681 PolarHBondContact NE2-OE2 3.14Å; R677-E681 WeakPolarHBondContact O-CB 3.32Å; R677-E681 WeakPolarHBondContact O-CG 3.39Å; R677-E681 PolarHBondContact O-N 3.13Å; A679-E681 PolarHBondContact O-N 3.32Å
682S86.3Confident87.5Confident19 Ų1940.6 Ų40.613%0.13320%0.2CC..Hα-helixtrans-79.8-14.617462.30000114P658 I659 L678 A679 G684P658-S682 WeakPolarHBondContact CA-O 3.41Å; I659-S682 WeakPolarHBondContact CB-OG 3.44Å; I659-S682 PolarHBondContact N-OG 2.91Å; I659-S682 PolarHBondContact O-OG 3.38Å; L678-S682 WeakPolarHBondContact O-CB 3.46Å; L678-S682 PolarHBondContact O-N 2.79Å; L678-S682 PolarHBondContact O-OG 2.83Å; A679-S682 PolarHBondContact O-N 3.39Å; A679-S682 PolarHBondContact O-OG 2.85Å; A679-S682 VanDerWaalsContact O-OG 3.12Å; S682-G684 VanDerWaalsContact C-N 3.35Å; S682-G684 PolarHBondContact OG-N 3.16Å
683G85.7Confident86.3Confident54 Ų5446 Ų4656%0.55724%0.236SC*.THydrogen-bonded Turntrans80.112.5-171.600000114.6A679 Q680A679-G683 CarbonylContact O-C 3.59Å; A679-G683 PolarHBondContact O-N 2.99Å; Q680-G683 PolarHBondContact O-N 3.01Å
684G88Confident84.7Confident9 Ų945.4 Ų45.49%0.09324%0.235CC..  trans-77.9-165.8169.100000113.5A679 S682A679-G684 PolarHBondContact O-N 3.12Å; S682-G684 VanDerWaalsContact C-N 3.35Å; S682-G684 PolarHBondContact OG-N 3.16Å
685R91.8Very high82.9Confident14 Ų1451.4 Ų51.45%0.05327%0.268CS..  trans-124147.6-179.7-66.7169.1-68.1155.6-1111.5T533 T535 Y633 H660 T661 D706T533-R685 PolarHBondContact O-NH1 2.75Å; T533-R685 PolarHBondContact O-NH2 3.24Å; T535-R685 PolarHBondContact OG1-NH2 3.12Å; Y633-R685 PolarHBondContact OH-NH2 2.79Å; H660-R685 CarbonylContact C-O 3.58Å; H660-R685 VanDerWaalsContact CA-O 3.24Å; H660-R685 WeakPolarHBondContact CA-O 3.27Å; H660-R685 PolarHBondContact CE1-NE 3.49Å; H660-R685 PolarHBondContact ND1-N 3.32Å; H660-R685 PolarHBondContact ND1-NE 2.88Å; H660-R685 VanDerWaalsContact ND1-NE 3.12Å; T661-R685 PolarHBondContact N-O 3.21Å; R685-D706 IonicContact CZ-OD2 3.49Å; R685-D706 IonicContact NH1-OD2 3.2Å; R685-D706 PolarHBondContact NH1-OD2 3.07Å
686F92.6Very high81.2Confident9 Ų957.2 Ų57.24%0.03930%0.303CS..EExtended strand (participates in β ladder)trans-94130.3171.3177.8-103.5000111.6T661 L675 I676 A679 Y688 S704 E705T661-F686 CarbonylContact O-C 3.6Å; T661-F686 WeakPolarHBondContact O-CA 3.45Å; L675-F686 HydrophobicContact CB-CD2 4.04Å; L675-F686 HydrophobicContact CB-CE2 3.82Å; I676-F686 HydrophobicContact CB-CD2 4.46Å; I676-F686 HydrophobicContact CB-CG 4.49Å; I676-F686 HydrophobicContact CD1-CD1 4.12Å; I676-F686 HydrophobicContact CD1-CE1 3.98Å; I676-F686 HydrophobicContact CD1-CE2 4.5Å; I676-F686 HydrophobicContact CD1-CG 4.43Å; I676-F686 HydrophobicContact CD1-CZ 4.18Å; I676-F686 HydrophobicContact CG1-CB 4.04Å; I676-F686 HydrophobicContact CG1-CD1 3.61Å; I676-F686 HydrophobicContact CG1-CD2 3.54Å; I676-F686 HydrophobicContact CG1-CE1 3.84Å; I676-F686 HydrophobicContact CG1-CE2 3.79Å; I676-F686 HydrophobicContact CG1-CG 3.44Å; I676-F686 VanDerWaalsContact CG1-CG 3.44Å; I676-F686 HydrophobicContact CG1-CZ 3.92Å; A679-F686 HydrophobicContact CB-CB 4.43Å; F686-Y688 HydrophobicContact CZ-CD2 4.34Å; F686-S704 WeakPolarHBondContact O-CA 3.16Å; F686-E705 PolarHBondContact O-N 3.22Å
687H92.4Very high79.4Confident5 Ų561 Ų612%0.02332%0.324CS..EExtended strand (participates in β ladder)trans-119.1138.5172.5-65.5-78.5000109.7T661 I662 S663 S704 D706T661-H687 PolarHBondContact O-N 3.1Å; I662-H687 WeakPolarHBondContact CA-O 3.37Å; I662-H687 HydrophobicContact CB-CB 4.48Å; I662-H687 HydrophobicContact CG1-CB 3.99Å; S663-H687 PolarHBondContact N-O 2.94Å; H687-S704 WeakPolarHBondContact CA-OG 3.49Å; H687-D706 IonicContact CE1-OD2 2.58Å; H687-D706 PolarHBondContact CE1-OD2 3.21Å; H687-D706 IonicContact NE2-OD2 3.75Å
688Y90.5Very high77.6Confident30 Ų3062.6 Ų62.612%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-126.1122.8176.8179.3-97.8000109.6C666 F686 N690 W702 S704C666-Y688 WeakPolarHBondContact O-CE2 3.42Å; F686-Y688 HydrophobicContact CZ-CD2 4.34Å; Y688-N690 HydrophobicContact CE1-CB 3.9Å; Y688-W702 HydrophobicContact CD1-CB 3.88Å; Y688-W702 WeakPolarHBondContact CD1-O 3.37Å; Y688-W702 HydrophobicContact CD2-CB 3.58Å; Y688-W702 HydrophobicContact CD2-CG 4.27Å; Y688-W702 HydrophobicContact CE1-CB 4.06Å; Y688-W702 HydrophobicContact CE2-CB 3.77Å; Y688-W702 HydrophobicContact CE2-CG 4.13Å; Y688-W702 HydrophobicContact CG-CB 3.63Å; Y688-S704 PolarHBondContact N-OG 3.47Å; Y688-S704 PolarHBondContact O-OG 3.37Å
689Y89Confident75.8Confident38 Ų3867.6 Ų67.615%0.14937%0.366CS..EExtended strand (participates in β ladder)trans-123.5135.3174.1-172.5-91.2000110.4E529 L530 F555 S663 F664 N665 E691E529-Y689 HydrophobicContact CB-CD2 4.38Å; E529-Y689 HydrophobicContact CB-CE2 4.03Å; E529-Y689 HydrophobicContact CG-CD2 4.19Å; E529-Y689 HydrophobicContact CG-CE2 3.6Å; E529-Y689 WeakPolarHBondContact O-CD2 3.43Å; E529-Y689 VanDerWaalsContact OE1-CE2 3.28Å; E529-Y689 WeakPolarHBondContact OE1-CE2 3.49Å; E529-Y689 PolarHBondContact OE1-OH 3.23Å; L530-Y689 HydrophobicContact CB-CD2 4.37Å; L530-Y689 HydrophobicContact CB-CG 4.49Å; L530-Y689 HydrophobicContact CD1-CD1 4.11Å; L530-Y689 HydrophobicContact CD1-CD2 4.48Å; L530-Y689 HydrophobicContact CD1-CG 3.8Å; F555-Y689 HydrophobicContact CE1-CD1 4.38Å; F555-Y689 AromaticContact CE1-CE1 3.63Å; F555-Y689 HydrophobicContact CE1-CE1 3.63Å; F555-Y689 AromaticContact CZ-CE1 3.75Å; F555-Y689 HydrophobicContact CZ-CE1 3.75Å; F555-Y689 AromaticContact CZ-CZ 3.68Å; F555-Y689 WeakPolarHBondContact CZ-OH 3.12Å; S663-Y689 PolarHBondContact O-N 3.46Å; F664-Y689 AromaticContact CD2-CD1 3.7Å; F664-Y689 HydrophobicContact CD2-CD1 3.7Å; F664-Y689 HydrophobicContact CD2-CG 4.43Å; F664-Y689 AromaticContact CE2-CD1 3.63Å; F664-Y689 HydrophobicContact CE2-CD1 3.63Å; F664-Y689 HydrophobicContact CE2-CE1 4.01Å; N665-Y689 PolarHBondContact N-O 2.96Å; Y689-E691 HydrophobicContact CE1-CB 4.09Å
690N85.5Confident74.3Confident28 Ų2874 Ų7415%0.1539%0.394CS..  trans-136116.2171.7-179.67.7000108.8N665 Y688 F692N665-N690 WeakPolarHBondContact OD1-CA 3.22Å; Y688-N690 HydrophobicContact CE1-CB 3.9Å; N690-F692 VanDerWaalsContact CG-O 3.29Å; N690-F692 PolarHBondContact ND2-O 3.42Å; N690-F692 PolarHBondContact O-N 3.46Å; N690-F692 PolarHBondContact OD1-N 2.89Å; N690-F692 PolarHBondContact OD1-O 2.92Å
691E78.2Confident73.3Confident70 Ų7074.5 Ų74.533%0.32740%0.396SS..SBendtrans-61.7-28.1178.1-172.2177.9179.700112.2N665 Y689 P693N665-E691 PolarHBondContact ND2-OE2 2.93Å; N665-E691 WeakPolarHBondContact OD1-CB 3.45Å; N665-E691 PolarHBondContact OD1-N 3.03Å; Y689-E691 HydrophobicContact CE1-CB 4.09Å; E691-P693 WeakPolarHBondContact O-CD 3.41Å
692F74.2Confident72.9Confident140 Ų14074 Ų7461%0.61439%0.391SS*.SBendtrans-11084.7179.2-54.9-75.3000109.9N690 N694N690-F692 VanDerWaalsContact CG-O 3.29Å; N690-F692 PolarHBondContact ND2-O 3.42Å; N690-F692 PolarHBondContact O-N 3.46Å; N690-F692 PolarHBondContact OD1-N 2.89Å; N690-F692 PolarHBondContact OD1-O 2.92Å; F692-N694 PolarHBondContact O-N 3.02Å; F692-N694 VanDerWaalsContact O-N 3.15Å
693P62.7Low72.6Confident114 Ų11475.7 Ų75.774%0.7440%0.397SS*.  trans-54.7125.2179.521.6-32.8000110.2E691E691-P693 WeakPolarHBondContact O-CD 3.41Å
694N55Low72.7Confident77 Ų7773.7 Ų73.741%0.41238%0.375SS..  trans-53.6146-175.5-81.4-43.2000111.7F692 V696F692-N694 PolarHBondContact O-N 3.02Å; F692-N694 VanDerWaalsContact O-N 3.15Å; N694-V696 PolarHBondContact O-N 3Å
695N50.2Low72.8Confident131 Ų13175 Ų7570%0.70138%0.379SS*.  trans-45.5134.7171.6-105.9-16.7000110.7D697 K698N695-D697 PolarHBondContact O-N 2.77Å; N695-K698 PolarHBondContact O-N 3.43Å
696V55.1Low72.7Confident125 Ų12574.4 Ų74.476%0.75838%0.377SS*.THydrogen-bonded Turntrans-53.7-24.1-167.7-175.90000113.6N694 I808N694-V696 PolarHBondContact O-N 3Å; V696-I808 HydrophobicContact CG1-CD1 4.48Å
697D51.4Low72.6Confident114 Ų11475 Ų7561%0.6138%0.381SS*.THydrogen-bonded Turntrans-76.9-13.8-180-49.4-53.2000115N695 I808N695-D697 PolarHBondContact O-N 2.77Å; D697-I808 WeakPolarHBondContact OD1-CD1 3.37Å
698K49.8Very low72.5Confident148 Ų14879.7 Ų79.764%0.64340%0.398SS*.SBendtrans-96.5127.6178.9-73.7-172.7178.2-179.10110.8N695 K700N695-K698 PolarHBondContact O-N 3.43Å; K698-K700 PolarHBondContact O-N 3.5Å
699P50.5Low72.6Confident106 Ų10680.6 Ų80.669%0.68841%0.405SS*.PPolyproline II helixtrans-59.8136.617426.1-33.7000109.8Q701P699-Q701 PolarHBondContact O-N 2.96Å; P699-Q701 VanDerWaalsContact O-N 3.09Å
700K60Low72.8Confident134 Ų13478.8 Ų78.858%0.58340%0.398SS*.PPolyproline II helixtrans-57117171.5-68.8-179.2-173.7175.20108.5K698 E703K698-K700 PolarHBondContact O-N 3.5Å; K700-E703 HydrophobicContact CB-CG 4.41Å; K700-E703 HydrophobicContact CD-CG 4.01Å; K700-E703 WeakPolarHBondContact CD-OE1 3.48Å; K700-E703 WeakPolarHBondContact CE-OE1 3.21Å; K700-E703 IonicContact NZ-OE1 2.78Å; K700-E703 PolarHBondContact NZ-OE1 2.7Å
701Q67.1Low73.1Confident132 Ų13279.8 Ų79.862%0.61740%0.402SS*.  trans-81.5-30.9178.7-68.2-177.1-17.200112.3P699P699-Q701 PolarHBondContact O-N 2.96Å; P699-Q701 VanDerWaalsContact O-N 3.09Å
702W75.5Confident73.8Confident56 Ų5680.8 Ų80.821%0.21241%0.409CS..  trans-134.6138.7-172.1-50.1106.4000110.3P669 N672 I676 Y688P669-W702 HydrophobicContact CB-CZ2 3.89Å; N672-W702 HydrophobicContact CB-CD2 3.77Å; N672-W702 HydrophobicContact CB-CE3 3.86Å; N672-W702 HydrophobicContact CB-CG 4.4Å; N672-W702 HydrophobicContact CB-CH2 4.04Å; N672-W702 HydrophobicContact CB-CZ2 3.97Å; N672-W702 HydrophobicContact CB-CZ3 3.98Å; I676-W702 HydrophobicContact CD1-CE3 3.76Å; I676-W702 HydrophobicContact CD1-CZ3 3.59Å; Y688-W702 HydrophobicContact CD1-CB 3.88Å; Y688-W702 WeakPolarHBondContact CD1-O 3.37Å; Y688-W702 HydrophobicContact CD2-CB 3.58Å; Y688-W702 HydrophobicContact CD2-CG 4.27Å; Y688-W702 HydrophobicContact CE1-CB 4.06Å; Y688-W702 HydrophobicContact CE2-CB 3.77Å; Y688-W702 HydrophobicContact CE2-CG 4.13Å; Y688-W702 HydrophobicContact CG-CB 3.63Å
703E80.2Confident74.7Confident55 Ų5575.8 Ų75.826%0.25739%0.388SS..  trans-145.1143.7177.8-64-168.9134.900109.9K700 E705K700-E703 HydrophobicContact CB-CG 4.41Å; K700-E703 HydrophobicContact CD-CG 4.01Å; K700-E703 WeakPolarHBondContact CD-OE1 3.48Å; K700-E703 WeakPolarHBondContact CE-OE1 3.21Å; K700-E703 IonicContact NZ-OE1 2.78Å; K700-E703 PolarHBondContact NZ-OE1 2.7Å; E703-E705 PolarHBondContact O-N 3.37Å
704S88.3Confident76.1Confident12 Ų1273.6 Ų73.68%0.08437%0.365CS..  trans-56.9134.7171.7-61.40000111.1F686 H687 Y688 D706 V707 R708F686-S704 WeakPolarHBondContact O-CA 3.16Å; H687-S704 WeakPolarHBondContact CA-OG 3.49Å; Y688-S704 PolarHBondContact N-OG 3.47Å; Y688-S704 PolarHBondContact O-OG 3.37Å; S704-D706 VanDerWaalsContact C-N 3.31Å; S704-D706 PolarHBondContact O-N 2.63Å; S704-V707 PolarHBondContact O-N 3.22Å; S704-R708 PolarHBondContact O-N 3.2Å
705E88.1Confident77.9Confident37 Ų3774.7 Ų74.717%0.17337%0.368CS..Hα-helixtrans-57.3-44.3-176.1179173.7-179.700112.2F686 E703 V707 R708 L709F686-E705 PolarHBondContact O-N 3.22Å; E703-E705 PolarHBondContact O-N 3.37Å; E705-V707 VanDerWaalsContact C-N 3.29Å; E705-V707 PolarHBondContact O-N 3.27Å; E705-R708 PolarHBondContact O-N 3.16Å; E705-L709 HydrophobicContact CG-CD1 4.06Å; E705-L709 HydrophobicContact CG-CG 4.35Å; E705-L709 WeakPolarHBondContact O-CB 3.48Å; E705-L709 VanDerWaalsContact O-CG 3.28Å; E705-L709 WeakPolarHBondContact O-CG 3.36Å; E705-L709 PolarHBondContact O-N 3.02Å
706D90.3Very high79.9Confident2 Ų271.9 Ų71.91%0.01135%0.352CS..Hα-helixtrans-57.9-39.2176.8-89.1-37.7000112.7S388 L523 R685 H687 S704 L710S388-D706 WeakPolarHBondContact CA-OD1 3.42Å; S388-D706 WeakPolarHBondContact CB-OD1 3.49Å; S388-D706 PolarHBondContact N-OD1 3.48Å; S388-D706 WeakPolarHBondContact OG-CB 3.49Å; S388-D706 VanDerWaalsContact OG-CG 3.31Å; S388-D706 PolarHBondContact OG-OD1 3.41Å; L523-D706 HydrophobicContact CD1-CB 4.22Å; R685-D706 IonicContact CZ-OD2 3.49Å; R685-D706 IonicContact NH1-OD2 3.2Å; R685-D706 PolarHBondContact NH1-OD2 3.07Å; H687-D706 IonicContact CE1-OD2 2.58Å; H687-D706 PolarHBondContact CE1-OD2 3.21Å; H687-D706 IonicContact NE2-OD2 3.75Å; S704-D706 VanDerWaalsContact C-N 3.31Å; S704-D706 PolarHBondContact O-N 2.63Å; D706-L710 WeakPolarHBondContact O-CD1 3.17Å; D706-L710 WeakPolarHBondContact O-CG 3.12Å; D706-L710 PolarHBondContact O-N 3.43Å
707V90.3Very high81.6Confident22 Ų2266 Ų6613%0.13332%0.316CS..Hα-helixtrans-72-49.4178.3174.50000110.1L520 S704 E705 L709 L710 E711L520-V707 HydrophobicContact CD2-CB 4.45Å; L520-V707 HydrophobicContact CD2-CG1 3.94Å; S704-V707 PolarHBondContact O-N 3.22Å; E705-V707 VanDerWaalsContact C-N 3.29Å; E705-V707 PolarHBondContact O-N 3.27Å; V707-L709 VanDerWaalsContact C-N 3.3Å; V707-L709 PolarHBondContact O-N 3.29Å; V707-L710 PolarHBondContact O-N 3.08Å; V707-L710 VanDerWaalsContact O-N 3.11Å; V707-E711 HydrophobicContact CG1-CG 4.17Å; V707-E711 WeakPolarHBondContact CG1-OE1 3.28Å; V707-E711 WeakPolarHBondContact O-CG 3.29Å; V707-E711 PolarHBondContact O-N 3.23Å
708R91.1Very high83.5Confident102 Ų10263.7 Ų63.739%0.38530%0.304SS..Hα-helixtrans-57.3-40.5178.6-176.3-174.664.9-171.5-4.3112.5S704 E705 N712S704-R708 PolarHBondContact O-N 3.2Å; E705-R708 PolarHBondContact O-N 3.16Å; R708-N712 VanDerWaalsContact O-CB 3.28Å; R708-N712 WeakPolarHBondContact O-CB 3.19Å; R708-N712 PolarHBondContact O-N 3.31Å; R708-N712 PolarHBondContact O-ND2 2.98Å
709L92.2Very high85.4Confident49 Ų4959.3 Ų59.326%0.25729%0.287SS..Hα-helixtrans-62.2-43.9176.5-74.5172.6000111.9K389 L392 E705 V707 E713K389-L709 HydrophobicContact CB-CD1 4.07Å; L392-L709 HydrophobicContact CD1-CB 4.01Å; E705-L709 HydrophobicContact CG-CD1 4.06Å; E705-L709 HydrophobicContact CG-CG 4.35Å; E705-L709 WeakPolarHBondContact O-CB 3.48Å; E705-L709 VanDerWaalsContact O-CG 3.28Å; E705-L709 WeakPolarHBondContact O-CG 3.36Å; E705-L709 PolarHBondContact O-N 3.02Å; V707-L709 VanDerWaalsContact C-N 3.3Å; V707-L709 PolarHBondContact O-N 3.29Å; L709-E713 PolarHBondContact O-N 3.31Å; L709-E713 VanDerWaalsContact O-N 3.11Å
710L93.1Very high87.3Confident0 Ų054.6 Ų54.60%026%0.256CS..Hα-helixtrans-73.2-39179.5-70.2166.3000112.6W391 L392 I516 R519 L520 L523 D706 V707 E713 Y714W391-L710 HydrophobicContact CE3-CD2 3.93Å; W391-L710 HydrophobicContact CZ3-CD2 4.03Å; L392-L710 HydrophobicContact CD1-CD2 4.14Å; L392-L710 HydrophobicContact CD2-CD2 3.95Å; L392-L710 HydrophobicContact CG-CD2 3.93Å; I516-L710 HydrophobicContact CG2-CB 4.1Å; I516-L710 HydrophobicContact CG2-CD2 4.12Å; I516-L710 WeakPolarHBondContact CG2-O 3.43Å; R519-L710 HydrophobicContact CB-CD1 4.31Å; R519-L710 HydrophobicContact CG-CD1 3.61Å; R519-L710 HydrophobicContact CG-CD2 4.12Å; L520-L710 HydrophobicContact CD1-CB 4.24Å; L520-L710 HydrophobicContact CD2-CB 3.64Å; L520-L710 HydrophobicContact CD2-CD1 4.09Å; L520-L710 HydrophobicContact CG-CB 3.79Å; L520-L710 HydrophobicContact CG-CD1 4.22Å; L523-L710 HydrophobicContact CD1-CD1 3.43Å; L523-L710 VanDerWaalsContact CD1-CD1 3.43Å; D706-L710 WeakPolarHBondContact O-CD1 3.17Å; D706-L710 WeakPolarHBondContact O-CG 3.12Å; D706-L710 PolarHBondContact O-N 3.43Å; V707-L710 PolarHBondContact O-N 3.08Å; V707-L710 VanDerWaalsContact O-N 3.11Å; L710-E713 PolarHBondContact O-N 3.43Å; L710-Y714 VanDerWaalsContact O-CB 3.3Å; L710-Y714 WeakPolarHBondContact O-CB 3.44Å; L710-Y714 PolarHBondContact O-N 2.71Å
711E92.1Very high88.7Confident50 Ų5049 Ų4923%0.23423%0.232CC..Hα-helixtrans-66.1-40.6176.1-70.1-173.7-167.500111.4L520 R524 V707 Y714 Q715L520-E711 HydrophobicContact CD1-CG 3.9Å; L520-E711 HydrophobicContact CD2-CG 3.84Å; R524-E711 IonicContact CZ-OE1 2.76Å; R524-E711 IonicContact NH2-OE1 3.47Å; R524-E711 PolarHBondContact NH2-OE1 3.41Å; V707-E711 HydrophobicContact CG1-CG 4.17Å; V707-E711 WeakPolarHBondContact CG1-OE1 3.28Å; V707-E711 WeakPolarHBondContact O-CG 3.29Å; V707-E711 PolarHBondContact O-N 3.23Å; E711-Y714 WeakPolarHBondContact O-CB 3.34Å; E711-Y714 PolarHBondContact O-N 2.7Å; E711-Q715 PolarHBondContact O-N 2.88Å
712N92.6Very high89.7Confident90 Ų9048.3 Ų48.348%0.48123%0.229SC..Hα-helixtrans-60.9-47.1172.2-76.2-21.1000112.1R708 Y714 Q715 I716R708-N712 VanDerWaalsContact O-CB 3.28Å; R708-N712 WeakPolarHBondContact O-CB 3.19Å; R708-N712 PolarHBondContact O-N 3.31Å; R708-N712 PolarHBondContact O-ND2 2.98Å; N712-Y714 VanDerWaalsContact C-N 3.31Å; N712-Y714 PolarHBondContact O-N 3.38Å; N712-Q715 PolarHBondContact O-N 2.89Å; N712-I716 VanDerWaalsContact O-CG1 3.28Å; N712-I716 WeakPolarHBondContact O-CG1 3.14Å; N712-I716 PolarHBondContact O-N 2.93Å
713E92.7Very high90.3Very high35 Ų3549.4 Ų49.416%0.16424%0.236CC..Hα-helixtrans-64.1-37.7177.8-166.380.116900111.5L392 L397 I516 L709 L710 I716 G717L392-E713 HydrophobicContact CD1-CB 4.35Å; L392-E713 HydrophobicContact CD2-CB 3.98Å; L392-E713 HydrophobicContact CD2-CG 3.69Å; L397-E713 WeakPolarHBondContact CA-OE1 3.36Å; L397-E713 VanDerWaalsContact CB-OE1 3.29Å; L397-E713 WeakPolarHBondContact CB-OE1 3.38Å; L397-E713 HydrophobicContact CD1-CG 4.18Å; L397-E713 WeakPolarHBondContact CD1-O 3.47Å; L397-E713 HydrophobicContact CG-CG 3.91Å; L397-E713 WeakPolarHBondContact CG-OE1 3.26Å; L397-E713 PolarHBondContact N-OE1 3.39Å; I516-E713 HydrophobicContact CD1-CB 4.34Å; I516-E713 HydrophobicContact CD1-CG 3.89Å; L709-E713 PolarHBondContact O-N 3.31Å; L709-E713 VanDerWaalsContact O-N 3.11Å; L710-E713 PolarHBondContact O-N 3.43Å; E713-I716 PolarHBondContact O-N 2.84Å; E713-G717 PolarHBondContact O-N 2.69Å
714Y93Very high90.6Very high68 Ų6846.8 Ų46.827%0.26722%0.224SC..Hα-helixtrans-61.2-46.6174.6-169.3-94.5000111.5L513 I516 K517 L710 E711 N712 G717 L718L513-Y714 HydrophobicContact CB-CD2 4.19Å; L513-Y714 HydrophobicContact CB-CE2 3.79Å; L513-Y714 HydrophobicContact CD2-CD2 3.59Å; L513-Y714 HydrophobicContact CD2-CE2 3.88Å; L513-Y714 HydrophobicContact CD2-CG 3.97Å; L513-Y714 VanDerWaalsContact CD2-O 3.29Å; L513-Y714 WeakPolarHBondContact CD2-O 3.45Å; L513-Y714 HydrophobicContact CG-CE2 4.4Å; L513-Y714 WeakPolarHBondContact O-CE2 3.48Å; I516-Y714 HydrophobicContact CB-CD2 4.28Å; I516-Y714 HydrophobicContact CG2-CD2 4.04Å; I516-Y714 HydrophobicContact CG2-CG 4.49Å; K517-Y714 HydrophobicContact CB-CE2 4.11Å; L710-Y714 VanDerWaalsContact O-CB 3.3Å; L710-Y714 WeakPolarHBondContact O-CB 3.44Å; L710-Y714 PolarHBondContact O-N 2.71Å; E711-Y714 WeakPolarHBondContact O-CB 3.34Å; E711-Y714 PolarHBondContact O-N 2.7Å; N712-Y714 VanDerWaalsContact C-N 3.31Å; N712-Y714 PolarHBondContact O-N 3.38Å; Y714-G717 PolarHBondContact O-N 2.77Å; Y714-L718 HydrophobicContact CD1-CD1 4.01Å; Y714-L718 HydrophobicContact CD1-CG 4.38Å; Y714-L718 HydrophobicContact CE1-CD1 3.7Å; Y714-L718 HydrophobicContact CE1-CG 4.18Å; Y714-L718 PolarHBondContact O-N 2.88Å; Y714-L718 VanDerWaalsContact O-N 3.08Å
715Q92.6Very high90.4Very high100 Ų10047.2 Ų47.247%0.46723%0.228SC..Hα-helixtrans-64.3-43.9177.7-17258.347.200111.8E711 N712 G717 L718 D719E711-Q715 PolarHBondContact O-N 2.88Å; N712-Q715 PolarHBondContact O-N 2.89Å; Q715-G717 PolarHBondContact O-N 3.38Å; Q715-L718 PolarHBondContact O-N 3.22Å; Q715-L718 VanDerWaalsContact O-N 3.09Å; Q715-D719 PolarHBondContact NE2-OD1 3.33Å; Q715-D719 WeakPolarHBondContact O-CB 3.2Å; Q715-D719 PolarHBondContact O-N 2.83Å
716I91.7Very high90.4Very high73 Ų7349.3 Ų49.337%0.37424%0.238SC..Hα-helixtrans-56.4-37.9174-69164.2000111L397 N712 E713 N720L397-I716 HydrophobicContact CD1-CB 4.33Å; L397-I716 HydrophobicContact CD1-CG2 4.01Å; N712-I716 VanDerWaalsContact O-CG1 3.28Å; N712-I716 WeakPolarHBondContact O-CG1 3.14Å; N712-I716 PolarHBondContact O-N 2.93Å; E713-I716 PolarHBondContact O-N 2.84Å; I716-N720 VanDerWaalsContact O-CB 3.24Å; I716-N720 WeakPolarHBondContact O-CB 3.42Å; I716-N720 PolarHBondContact O-N 3Å; I716-N720 PolarHBondContact O-ND2 2.98Å; I716-N720 PolarHBondContact O-OD1 3.21Å
717G90.4Very high90.1Very high0 Ų049.3 Ų49.30%024%0.238CC..Hα-helixtrans-69.1-37176.800000114L397 E713 Y714 Q715 L721L397-G717 VanDerWaalsContact CD1-CA 3.42Å; E713-G717 PolarHBondContact O-N 2.69Å; Y714-G717 PolarHBondContact O-N 2.77Å; Q715-G717 PolarHBondContact O-N 3.38Å; G717-L721 WeakPolarHBondContact O-CG 3.23Å; G717-L721 PolarHBondContact O-N 2.79Å; G717-L721 VanDerWaalsContact O-N 3.08Å
718L92Very high90Very high66 Ų6650.2 Ų50.235%0.34624%0.24SC..Hα-helixtrans-66.8-49.7172.7-69.3179.2000111.7L513 Y714 Q715 N720 L721 E722L513-L718 HydrophobicContact CD1-CD2 3.89Å; L513-L718 HydrophobicContact CD1-CG 4.47Å; Y714-L718 HydrophobicContact CD1-CD1 4.01Å; Y714-L718 HydrophobicContact CD1-CG 4.38Å; Y714-L718 HydrophobicContact CE1-CD1 3.7Å; Y714-L718 HydrophobicContact CE1-CG 4.18Å; Y714-L718 PolarHBondContact O-N 2.88Å; Y714-L718 VanDerWaalsContact O-N 3.08Å; Q715-L718 PolarHBondContact O-N 3.22Å; Q715-L718 VanDerWaalsContact O-N 3.09Å; L718-N720 PolarHBondContact O-N 3.03Å; L718-L721 WeakPolarHBondContact O-CB 3.26Å; L718-L721 PolarHBondContact O-N 3.08Å; L718-L721 VanDerWaalsContact O-N 3.08Å; L718-E722 PolarHBondContact O-N 3.41Å
719D90.2Very high89.5Confident56 Ų5648.9 Ų48.930%0.29924%0.24SC..Hα-helixtrans-52.8-43.2174.6-82.429.1000111.9Q715 E722 K723Q715-D719 PolarHBondContact NE2-OD1 3.33Å; Q715-D719 WeakPolarHBondContact O-CB 3.2Å; Q715-D719 PolarHBondContact O-N 2.83Å; D719-E722 PolarHBondContact O-N 2.87Å; D719-K723 WeakPolarHBondContact O-CB 3.45Å; D719-K723 WeakPolarHBondContact O-CD 3.42Å; D719-K723 WeakPolarHBondContact O-CG 3.43Å; D719-K723 PolarHBondContact O-N 3.39Å; D719-K723 IonicContact OD2-NZ 3.35Å
720N89.8Confident88.9Confident7 Ų749.8 Ų49.84%0.03724%0.243CC..Hα-helixtrans-72.7-31.2-179.2-69.7-11.5000112.4F404 Y505 M509 I716 L718 L724F404-N720 HydrophobicContact CB-CB 4.4Å; F404-N720 PolarHBondContact N-ND2 3.28Å; Y505-N720 WeakPolarHBondContact OH-CB 3.4Å; M509-N720 HydrophobicContact CE-CB 4.16Å; I716-N720 VanDerWaalsContact O-CB 3.24Å; I716-N720 WeakPolarHBondContact O-CB 3.42Å; I716-N720 PolarHBondContact O-N 3Å; I716-N720 PolarHBondContact O-ND2 2.98Å; I716-N720 PolarHBondContact O-OD1 3.21Å; L718-N720 PolarHBondContact O-N 3.03Å; N720-L724 WeakPolarHBondContact O-CB 3.45Å; N720-L724 PolarHBondContact O-N 2.87Å; N720-L724 VanDerWaalsContact O-N 3.14Å
721L89.3Confident88.4Confident16 Ų1650.6 Ų50.68%0.08425%0.248CC..Hα-helixtrans-63-46.1168.2-78.1173.7000111.5Y505 M509 L513 G717 L718 L724 A725Y505-L721 HydrophobicContact CD1-CD2 4.3Å; Y505-L721 HydrophobicContact CE1-CD2 4.25Å; M509-L721 HydrophobicContact CB-CD2 3.83Å; M509-L721 HydrophobicContact CB-CG 4.27Å; M509-L721 HydrophobicContact CG-CD1 3.89Å; M509-L721 HydrophobicContact CG-CD2 3.69Å; M509-L721 HydrophobicContact CG-CG 3.56Å; L513-L721 HydrophobicContact CD1-CD1 3.71Å; G717-L721 WeakPolarHBondContact O-CG 3.23Å; G717-L721 PolarHBondContact O-N 2.79Å; G717-L721 VanDerWaalsContact O-N 3.08Å; L718-L721 WeakPolarHBondContact O-CB 3.26Å; L718-L721 PolarHBondContact O-N 3.08Å; L718-L721 VanDerWaalsContact O-N 3.08Å; L721-L724 PolarHBondContact O-N 3.46Å; L721-A725 WeakPolarHBondContact O-CB 2.99Å; L721-A725 PolarHBondContact O-N 3.47Å
722E89.4Confident87.8Confident118 Ų11854.5 Ų54.555%0.55126%0.262SS*.Hα-helixtrans-65.1-50.4-178.5-165-171161.200111.2L718 D719 L724 A725 Q726L718-E722 PolarHBondContact O-N 3.41Å; D719-E722 PolarHBondContact O-N 2.87Å; E722-L724 PolarHBondContact O-N 2.94Å; E722-A725 WeakPolarHBondContact O-CB 3.44Å; E722-A725 PolarHBondContact O-N 3.42Å; E722-Q726 WeakPolarHBondContact O-CG 3.36Å; E722-Q726 PolarHBondContact O-N 3.35Å; E722-Q726 PolarHBondContact OE1-NE2 3.38Å
723K86.8Confident87.2Confident79 Ų7954.2 Ų54.234%0.34326%0.26SS..Hα-helixtrans-53.8-41.3175.5-69.1160.6-166.91610111.3F404 D719 L727F404-K723 HydrophobicContact CD2-CB 4.01Å; F404-K723 HydrophobicContact CE2-CB 3.5Å; F404-K723 HydrophobicContact CE2-CD 4.49Å; F404-K723 HydrophobicContact CZ-CB 4.07Å; D719-K723 WeakPolarHBondContact O-CB 3.45Å; D719-K723 WeakPolarHBondContact O-CD 3.42Å; D719-K723 WeakPolarHBondContact O-CG 3.43Å; D719-K723 PolarHBondContact O-N 3.39Å; D719-K723 IonicContact OD2-NZ 3.35Å; K723-L727 VanDerWaalsContact O-CG 3.22Å; K723-L727 WeakPolarHBondContact O-CG 3.35Å; K723-L727 PolarHBondContact O-N 3Å; K723-L727 VanDerWaalsContact O-N 3.1Å
724L86.6Confident86.4Confident1 Ų153.5 Ų53.51%0.00526%0.257CS..Hα-helixtrans-74.6-30.1178.4-156.173.6000113.6L407 I497 Y502 Y505 N720 L721 E722 L727 K728L407-L724 HydrophobicContact CD1-CD2 3.86Å; L407-L724 HydrophobicContact CD2-CD1 3.49Å; L407-L724 VanDerWaalsContact CD2-CD1 3.49Å; L407-L724 HydrophobicContact CD2-CD2 4.13Å; L407-L724 HydrophobicContact CD2-CG 4.49Å; I497-L724 HydrophobicContact CD1-CD1 3.39Å; I497-L724 HydrophobicContact CD1-CG 4.03Å; I497-L724 HydrophobicContact CG1-CD1 4.27Å; Y502-L724 HydrophobicContact CD2-CB 4.3Å; Y502-L724 HydrophobicContact CD2-CD2 4Å; Y502-L724 HydrophobicContact CD2-CG 4.07Å; Y502-L724 HydrophobicContact CE2-CB 4.39Å; Y505-L724 HydrophobicContact CD1-CD2 3.23Å; Y505-L724 HydrophobicContact CD1-CG 4.47Å; Y505-L724 HydrophobicContact CE1-CB 4.37Å; Y505-L724 HydrophobicContact CE1-CD2 3.73Å; Y505-L724 HydrophobicContact CG-CD2 3.66Å; N720-L724 WeakPolarHBondContact O-CB 3.45Å; N720-L724 PolarHBondContact O-N 2.87Å; N720-L724 VanDerWaalsContact O-N 3.14Å; L721-L724 PolarHBondContact O-N 3.46Å; E722-L724 PolarHBondContact O-N 2.94Å; L724-L727 HydrophobicContact CD1-CD1 4.4Å; L724-K728 WeakPolarHBondContact O-CB 3.26Å; L724-K728 PolarHBondContact O-N 2.96Å
725A85.1Confident85.5Confident21 Ų2157.8 Ų57.817%0.17427%0.273CS..Hα-helixtrans-65.2-48.6173.400000110.8Y502 L721 E722 L727 K728 D729Y502-A725 HydrophobicContact CE2-CB 3.84Å; L721-A725 WeakPolarHBondContact O-CB 2.99Å; L721-A725 PolarHBondContact O-N 3.47Å; E722-A725 WeakPolarHBondContact O-CB 3.44Å; E722-A725 PolarHBondContact O-N 3.42Å; A725-L727 PolarHBondContact O-N 3.32Å; A725-K728 WeakPolarHBondContact O-CB 3.32Å; A725-K728 PolarHBondContact O-N 3.04Å; A725-D729 PolarHBondContact O-N 3.08Å
726Q86.6Confident84.5Confident81 Ų8156.9 Ų56.938%0.37927%0.27SS..Hα-helixtrans-56.3-47.9175.2-66.1173.45.400111.2E722 K728 D729 E730E722-Q726 WeakPolarHBondContact O-CG 3.36Å; E722-Q726 PolarHBondContact O-N 3.35Å; E722-Q726 PolarHBondContact OE1-NE2 3.38Å; Q726-K728 PolarHBondContact O-N 3.04Å; Q726-D729 PolarHBondContact O-N 3.05Å; Q726-D729 VanDerWaalsContact O-N 3.16Å; Q726-E730 PolarHBondContact O-N 3.45Å
727L85.7Confident83.6Confident2 Ų258.8 Ų58.81%0.0128%0.275CS..Hα-helixtrans-65-37.1178-69.3169.5000113.9F404 L408 V483 I485 I497 K723 L724 A725 D729 E730 C731 F819F404-L727 HydrophobicContact CE2-CD1 3.74Å; F404-L727 HydrophobicContact CZ-CD1 3.73Å; L408-L727 HydrophobicContact CD2-CD1 4.33Å; V483-L727 HydrophobicContact CG1-CD2 3.77Å; I485-L727 HydrophobicContact CD1-CD1 3.39Å; I485-L727 HydrophobicContact CD1-CD2 3.4Å; I485-L727 HydrophobicContact CD1-CG 4.02Å; I485-L727 HydrophobicContact CG1-CD2 3.9Å; I497-L727 HydrophobicContact CD1-CB 3.42Å; I497-L727 VanDerWaalsContact CD1-CB 3.42Å; I497-L727 HydrophobicContact CD1-CD1 4.15Å; I497-L727 HydrophobicContact CD1-CG 4.46Å; K723-L727 VanDerWaalsContact O-CG 3.22Å; K723-L727 WeakPolarHBondContact O-CG 3.35Å; K723-L727 PolarHBondContact O-N 3Å; K723-L727 VanDerWaalsContact O-N 3.1Å; L724-L727 HydrophobicContact CD1-CD1 4.4Å; A725-L727 PolarHBondContact O-N 3.32Å; L727-D729 VanDerWaalsContact C-N 3.29Å; L727-D729 PolarHBondContact O-N 3.05Å; L727-E730 PolarHBondContact O-N 3.26Å; L727-C731 WeakPolarHBondContact O-CB 3.32Å; L727-C731 PolarHBondContact O-N 3.04Å; L727-C731 PolarHBondContact O-SG 2.87Å; L727-F819 HydrophobicContact CD2-CE1 3.86Å; L727-F819 HydrophobicContact CD2-CZ 3.74Å
728K87Confident82.5Confident41 Ų4159.6 Ų59.618%0.17828%0.282CS..Hα-helixtrans-58.5-44.2171.7165.1-164.256.467.40110.5I497 Y502 L724 A725 Q726 C731 Y732I497-K728 HydrophobicContact CG2-CB 4.13Å; Y502-K728 HydrophobicContact CD1-CD 3.65Å; Y502-K728 HydrophobicContact CD2-CB 4.36Å; Y502-K728 HydrophobicContact CD2-CD 4.25Å; Y502-K728 HydrophobicContact CE1-CD 4.23Å; Y502-K728 HydrophobicContact CG-CB 4.41Å; Y502-K728 HydrophobicContact CG-CD 3.66Å; Y502-K728 HydrophobicContact CG-CG 4.48Å; L724-K728 WeakPolarHBondContact O-CB 3.26Å; L724-K728 PolarHBondContact O-N 2.96Å; A725-K728 WeakPolarHBondContact O-CB 3.32Å; A725-K728 PolarHBondContact O-N 3.04Å; Q726-K728 PolarHBondContact O-N 3.04Å; K728-C731 PolarHBondContact O-N 2.91Å; K728-Y732 WeakPolarHBondContact O-CB 3.41Å; K728-Y732 PolarHBondContact O-N 3.07Å
729D81.5Confident81.1Confident74 Ų7461.1 Ų61.140%0.39629%0.291SS..Hα-helixtrans-68.6-41.2-178-70.9-38000111.7A725 Q726 L727 C731 Y732 L733A725-D729 PolarHBondContact O-N 3.08Å; Q726-D729 PolarHBondContact O-N 3.05Å; Q726-D729 VanDerWaalsContact O-N 3.16Å; L727-D729 VanDerWaalsContact C-N 3.29Å; L727-D729 PolarHBondContact O-N 3.05Å; D729-C731 PolarHBondContact O-N 2.87Å; D729-Y732 WeakPolarHBondContact O-CB 3.38Å; D729-Y732 PolarHBondContact O-N 3.41Å; D729-L733 WeakPolarHBondContact O-CB 3.38Å; D729-L733 VanDerWaalsContact O-CG 3.28Å; D729-L733 WeakPolarHBondContact O-CG 3.35Å; D729-L733 PolarHBondContact O-N 3.32Å
730E79.9Confident79.9Confident68 Ų6865.5 Ų65.532%0.31831%0.307SS..Hα-helixtrans-61.6-42.9170.6-72.3-61.1151.500112.6V483 Q726 L727 Y732 L733 L734V483-E730 HydrophobicContact CG1-CB 4.31Å; V483-E730 HydrophobicContact CG2-CB 3.63Å; Q726-E730 PolarHBondContact O-N 3.45Å; L727-E730 PolarHBondContact O-N 3.26Å; E730-Y732 VanDerWaalsContact C-N 3.29Å; E730-Y732 PolarHBondContact O-N 3.26Å; E730-L733 PolarHBondContact O-N 3.01Å; E730-L734 WeakPolarHBondContact O-CG 3.3Å; E730-L734 PolarHBondContact O-N 3.04Å
731C82.7Confident78.3Confident16 Ų1670.5 Ų70.511%0.10833%0.33CS..Hα-helixtrans-60.3-38.5174.1-71.50000112.3V483 I497 L727 K728 D729 R735V483-C731 HydrophobicContact CG2-CB 4.27Å; V483-C731 WeakPolarHBondContact CG2-SG 3.19Å; I497-C731 PolarHBondContact N-SG 3.3Å; L727-C731 WeakPolarHBondContact O-CB 3.32Å; L727-C731 PolarHBondContact O-N 3.04Å; L727-C731 PolarHBondContact O-SG 2.87Å; K728-C731 PolarHBondContact O-N 2.91Å; D729-C731 PolarHBondContact O-N 2.87Å; C731-R735 WeakPolarHBondContact O-CB 3.38Å; C731-R735 PolarHBondContact O-N 3.44Å
732Y77.5Confident76.5Confident133 Ų13373.8 Ų73.852%0.52235%0.351SS..Hα-helixtrans-68.2-45176.5179.8-97.3000111.7K728 D729 E730 R735 M736K728-Y732 WeakPolarHBondContact O-CB 3.41Å; K728-Y732 PolarHBondContact O-N 3.07Å; D729-Y732 WeakPolarHBondContact O-CB 3.38Å; D729-Y732 PolarHBondContact O-N 3.41Å; E730-Y732 VanDerWaalsContact C-N 3.29Å; E730-Y732 PolarHBondContact O-N 3.26Å; Y732-R735 PolarHBondContact O-N 2.99Å; Y732-M736 HydrophobicContact CD1-CG 4.17Å; Y732-M736 HydrophobicContact CE1-CG 3.81Å; Y732-M736 HydrophobicContact CE1-SD 3.69Å; Y732-M736 HydrophobicContact CE2-CG 4.47Å; Y732-M736 WeakPolarHBondContact O-CG 3.35Å; Y732-M736 PolarHBondContact O-N 2.86Å
733L80Confident74.2Confident83 Ų8371 Ų7144%0.43535%0.348SS..Hα-helixtrans-61.7-43.8178.2-71.8172000112.3D729 E730 M736 K737D729-L733 WeakPolarHBondContact O-CB 3.38Å; D729-L733 VanDerWaalsContact O-CG 3.28Å; D729-L733 WeakPolarHBondContact O-CG 3.35Å; D729-L733 PolarHBondContact O-N 3.32Å; E730-L733 PolarHBondContact O-N 3.01Å; L733-M736 PolarHBondContact O-N 3.29Å; L733-K737 WeakPolarHBondContact O-CG 3.18Å; L733-K737 PolarHBondContact O-N 3.38Å
734L76.7Confident72.3Confident21 Ų2171.8 Ų71.811%0.1136%0.36CS..Hα-helixtrans-64.9-41.5176.1-67.9179.8000112.1F482 V483 E730 M736 K737 A738F482-L734 WeakPolarHBondContact O-CD1 3.49Å; V483-L734 HydrophobicContact CB-CD1 4.47Å; V483-L734 HydrophobicContact CG2-CD1 3.74Å; E730-L734 WeakPolarHBondContact O-CG 3.3Å; E730-L734 PolarHBondContact O-N 3.04Å; L734-M736 VanDerWaalsContact C-N 3.32Å; L734-M736 PolarHBondContact O-N 2.85Å; L734-K737 PolarHBondContact O-N 2.76Å; L734-A738 PolarHBondContact O-N 2.82Å
735R75.3Confident70.1Confident158 Ų15876.4 Ų76.460%0.59639%0.388SS*.Hα-helixtrans-62.3-38.3174.7-170.6177.2-176.8-1760.4112.1C731 Y732 N739C731-R735 WeakPolarHBondContact O-CB 3.38Å; C731-R735 PolarHBondContact O-N 3.44Å; Y732-R735 PolarHBondContact O-N 2.99Å; R735-N739 PolarHBondContact O-N 3.41Å; R735-N739 PolarHBondContact O-OD1 3.17Å
736M71Confident67.9Low81 Ų8180.2 Ų80.240%0.39941%0.409SS..Hα-helixtrans-66.1-36.5174.5-70.8-128.477.600112.9Y732 L733 L734 K740Y732-M736 HydrophobicContact CD1-CG 4.17Å; Y732-M736 HydrophobicContact CE1-CG 3.81Å; Y732-M736 HydrophobicContact CE1-SD 3.69Å; Y732-M736 HydrophobicContact CE2-CG 4.47Å; Y732-M736 WeakPolarHBondContact O-CG 3.35Å; Y732-M736 PolarHBondContact O-N 2.86Å; L733-M736 PolarHBondContact O-N 3.29Å; L734-M736 VanDerWaalsContact C-N 3.32Å; L734-M736 PolarHBondContact O-N 2.85Å; M736-K740 PolarHBondContact O-N 3.33Å
737K73.3Confident65.7Low112 Ų11281 Ų8149%0.48742%0.42SS..Hα-helixtrans-66.6-49.9175.8-72.3175.3-179178.20111.7L733 L734 N739 K740 E741L733-K737 WeakPolarHBondContact O-CG 3.18Å; L733-K737 PolarHBondContact O-N 3.38Å; L734-K737 PolarHBondContact O-N 2.76Å; K737-N739 VanDerWaalsContact C-N 3.27Å; K737-N739 PolarHBondContact O-N 3.39Å; K737-K740 WeakPolarHBondContact O-CB 3.46Å; K737-K740 PolarHBondContact O-N 3.31Å; K737-E741 PolarHBondContact O-N 2.79Å; K737-E741 VanDerWaalsContact O-N 3.13Å
738A65.4Low63.3Low17 Ų1784.5 Ų84.514%0.1445%0.449CS..Hα-helixtrans-58.4-36.7179.100000113.2L734 K740 T742L734-A738 PolarHBondContact O-N 2.82Å; A738-K740 VanDerWaalsContact C-N 3.32Å; A738-K740 PolarHBondContact O-N 3.09Å; A738-T742 PolarHBondContact O-N 3.07Å; A738-T742 VanDerWaalsContact O-N 3.15Å; A738-T742 PolarHBondContact O-OG1 2.89Å
739N63.6Low60.9Low99 Ų9988.5 Ų88.553%0.52948%0.477SS..Hα-helixtrans-67.5-26.9174.3-74.52.8000113.7R735 K737 T742R735-N739 PolarHBondContact O-N 3.41Å; R735-N739 PolarHBondContact O-OD1 3.17Å; K737-N739 VanDerWaalsContact C-N 3.27Å; K737-N739 PolarHBondContact O-N 3.39Å; N739-T742 WeakPolarHBondContact CA-OG1 3.5Å; N739-T742 PolarHBondContact O-OG1 3.1Å
740K64.1Low58.8Low147 Ų14790.1 Ų90.164%0.63949%0.489SS*.Hα-helixtrans-78.4-42.5176-72.6179.8177.8-174.80111.7M736 K737 A738 A743 T744M736-K740 PolarHBondContact O-N 3.33Å; K737-K740 WeakPolarHBondContact O-CB 3.46Å; K737-K740 PolarHBondContact O-N 3.31Å; A738-K740 VanDerWaalsContact C-N 3.32Å; A738-K740 PolarHBondContact O-N 3.09Å; K740-A743 PolarHBondContact O-N 3.34Å; K740-T744 PolarHBondContact O-N 3.18Å; K740-T744 PolarHBondContact O-OG1 3.5Å
741E57.4Low56.5Low113 Ų11395.5 Ų95.553%0.52851%0.511SS..Hα-helixtrans-66.9-35179.8-68.8170.3-169.600112.9K737 T744 T745K737-E741 PolarHBondContact O-N 2.79Å; K737-E741 VanDerWaalsContact O-N 3.13Å; E741-T744 WeakPolarHBondContact CA-OG1 3.43Å; E741-T744 PolarHBondContact O-OG1 2.93Å; E741-T744 VanDerWaalsContact O-OG1 3.06Å; E741-T745 PolarHBondContact O-N 3.11Å; E741-T745 VanDerWaalsContact O-N 3.16Å; E741-T745 PolarHBondContact O-OG1 2.84Å
742T50.1Low54.1Low84 Ų84104 Ų10452%0.51555%0.549SS..Hα-helixtrans-67.6-39.617441.40000112A738 N739 T744 T745 T746A738-T742 PolarHBondContact O-N 3.07Å; A738-T742 VanDerWaalsContact O-N 3.15Å; A738-T742 PolarHBondContact O-OG1 2.89Å; N739-T742 WeakPolarHBondContact CA-OG1 3.5Å; N739-T742 PolarHBondContact O-OG1 3.1Å; T742-T744 PolarHBondContact O-N 3.39Å; T742-T745 PolarHBondContact O-N 2.59Å; T742-T746 PolarHBondContact O-N 2.79Å; T742-T746 PolarHBondContact O-OG1 3.06Å; T742-T746 VanDerWaalsContact O-OG1 3.09Å
743A42.9Very low52Low61 Ų61102.2 Ų102.250%0.50456%0.556SS.*Hα-helixtrans-65.4-36.3176.500000113.4K740 T747K740-A743 PolarHBondContact O-N 3.34Å; A743-T747 PolarHBondContact O-OG1 2.8Å
744T45.3Very low49.7Very low95 Ų95107 Ų10758%0.58358%0.576SS**Hα-helixtrans-76-26.9176.8450000113.7K740 E741 T742 T747K740-T744 PolarHBondContact O-N 3.18Å; K740-T744 PolarHBondContact O-OG1 3.5Å; E741-T744 WeakPolarHBondContact CA-OG1 3.43Å; E741-T744 PolarHBondContact O-OG1 2.93Å; E741-T744 VanDerWaalsContact O-OG1 3.06Å; T742-T744 PolarHBondContact O-N 3.39Å; T744-T747 PolarHBondContact O-OG1 2.89Å; T744-T747 VanDerWaalsContact O-OG1 3.11Å
745T41.4Very low47.5Very low97 Ų97115.7 Ų115.760%0.59561%0.613SS**Hα-helixtrans-76.2-37.3-179.7-53.10000112.2E741 T742 T747 A748E741-T745 PolarHBondContact O-N 3.11Å; E741-T745 VanDerWaalsContact O-N 3.16Å; E741-T745 PolarHBondContact O-OG1 2.84Å; T742-T745 PolarHBondContact O-N 2.59Å; T745-T747 PolarHBondContact O-N 3.08Å; T745-A748 PolarHBondContact O-N 2.93Å
746T38.7Very low45.4Very low102 Ų102116.4 Ų116.463%0.62662%0.623SS**Hα-helixtrans-70-17.6-178.9-45.30000113.7T742T742-T746 PolarHBondContact O-N 2.79Å; T742-T746 PolarHBondContact O-OG1 3.06Å; T742-T746 VanDerWaalsContact O-OG1 3.09Å
747T40Very low43.5Very low97 Ų97118.5 Ų118.560%0.59564%0.636SS**THydrogen-bonded Turntrans-91.2-5.3-178.643.10000114.4A743 T744 T745A743-T747 PolarHBondContact O-OG1 2.8Å; T744-T747 PolarHBondContact O-OG1 2.89Å; T744-T747 VanDerWaalsContact O-OG1 3.11Å; T745-T747 PolarHBondContact O-N 3.08Å
748A35.4Very low41.6Very low75 Ų75121.7 Ų121.762%0.6265%0.65SS**THydrogen-bonded Turntrans-93.2-24.9-175.500000115T745T745-A748 PolarHBondContact O-N 2.93Å
749T36.1Very low39.8Very low125 Ų125128.4 Ų128.477%0.76768%0.679SS**SBendtrans-101.52.1-169.133.90000116
750V38.2Very low38.2Very low108 Ų108131.1 Ų131.166%0.65569%0.692SS**  trans-1109.2-173.8-168.60000113.3H752V750-H752 VanDerWaalsContact C-N 3.35Å; V750-H752 PolarHBondContact O-N 2.81Å
751K30.6Very low36.5Very low181 Ų181132.2 Ų132.279%0.78770%0.699SS**  trans-8722.1-172.6-74-170.9175.4-179.80116.6
752H33.7Very low35.1Very low196 Ų196134.3 Ų134.391%0.90771%0.714SS**SBendtrans-127.942178.3-96.4-62.6000115.3V750V750-H752 VanDerWaalsContact C-N 3.35Å; V750-H752 PolarHBondContact O-N 2.81Å
753S33.3Very low34.1Very low94 Ų94137.3 Ų137.366%0.65773%0.732SS**SBendtrans-155.5119.9154.141.90000112
754Q32.3Very low33.3Very low185 Ų185142.9 Ų142.986%0.86475%0.747SS**  trans41.1100.9157-66.8162.1-25.900117.2
755K29.6Very low32.5Very low203 Ų203147.8 Ų147.888%0.88376%0.761SS**  41.6104.492.4-71.9-174.1173.2-177.20111.3
756E30.8Very low32Very low172 Ų172151.4 Ų151.480%0.80478%0.776SS**  -161.9156.176.6-88.3177.9169.500114.1
757N31.7Very low31.6Very low126 Ų126155 Ų15567%0.67479%0.786SS**  trans59.3104.2164.8-58.7-38.1000118.3
758K33.7Very low31Very low179 Ų179155.3 Ų155.378%0.77879%0.792SS**  67.513579.2-76.2-177.5174-179.90113.5
759Q27.4Very low30.8Very low158 Ų158160.2 Ų160.274%0.73881%0.806SS**  cis-172.7167.9-16.6-137.9168.8-15.300107.4
760L29.8Very low30.2Very low155 Ų155161.7 Ų161.781%0.81281%0.808SS**  trans74.3118.1176.1-52.7139.5000114.2
761E29.3Very low29.9Very low170 Ų170162 Ų16279%0.79481%0.813SS**  cis81.310645.5-66.9-166.7130.800116
762L26.1Very low29.8Very low158 Ų158162.9 Ų162.983%0.82782%0.817SS**  trans26.7115.2142.1-71.2140.1000119.1
763T30.4Very low29.7Very low146 Ų146163.1 Ų163.190%0.89682%0.815SS**  -162.6163.8127.814.80000111.2
764E26.7Very low29.5Very low178 Ų178162.4 Ų162.483%0.83281%0.81SS**  trans-66.4138.1-173.6-53.7164.2140.500113.7
765K27.6Very low29.6Very low198 Ų198161.8 Ų161.886%0.86181%0.807SS**  trans157.8131.7140.3-89.7158.1-174.9173.80110.1
766N30.5Very low29.7Very low173 Ų173156.8 Ų156.893%0.92580%0.797SS**  trans-152.486158.1-96.4-40.3000109.7
767Q30.3Very low29.8Very low178 Ų178155.7 Ų155.783%0.83280%0.796SS**  trans-102.9142.3157-81.5-177.7-2300108.6
768S27.5Very low29.9Very low103 Ų103155 Ų15572%0.7280%0.796SS**  trans50.5116157.6610000119.6
769I30.6Very low29.8Very low179 Ų179155.7 Ų155.792%0.91880%0.798SS**  trans-113.8112.6145.9-61.8177.2000107.4
770L24.8Very low30.1Very low155 Ų155152.7 Ų152.781%0.81280%0.795SS**  trans-128.9135.3171-102.2164.7000107.4K772L770-K772 PolarHBondContact O-N 2.86Å
771P31.3Very low30.1Very low115 Ų115150.8 Ų150.875%0.74779%0.79SS**  trans-84.5114.8176.430.8-30.2000112.3
772K29.7Very low30.5Very low200 Ų200149.9 Ų149.987%0.8779%0.791SS**  trans16.8114.3135.5-61.8173.8179.61770114.9L770L770-K772 PolarHBondContact O-N 2.86Å
773K31.1Very low30.6Very low200 Ų200148.1 Ų148.187%0.8779%0.787SS**  -178.6171.761.6-95.5176.2-179.8177.10107.4
774S28.7Very low30.8Very low80 Ų80149 Ų14956%0.55978%0.784SS**  cis-173.7136-31.749.80000107.1
775H35Very low30.9Very low172 Ų172147.3 Ų147.380%0.79678%0.781SS**  173.9141.4112.8-92-71.7000110
776S31.4Very low31Very low97 Ų97143.1 Ų143.168%0.67878%0.776SS**  trans41.5139.5139.965.30000121.7
777I33.1Very low31Very low150 Ų150142.9 Ų142.977%0.76977%0.77SS**  cis-167.214425.5-119155.3000111.1
778V34Very low31Very low111 Ų111139.8 Ų139.867%0.67376%0.763SS**  trans51.8112.4147.6-174.80000120.9
779K30.7Very low31.2Very low193 Ų193141.6 Ų141.684%0.83977%0.765SS**  57.6145.399.1-49.9177.1178.6-178.50115.9
780S33.7Very low31.2Very low95 Ų95138 Ų13866%0.66476%0.756SS**  cis-152.6147.529.8-45.70000110.6
781T30.6Very low31.6Very low116 Ų116137 Ų13771%0.71276%0.756SS**  33.5134.9104.777.20000115.7
782D36.1Very low31.3Very low150 Ų150137.1 Ų137.180%0.80276%0.758SS**  cis-151-17749.8-85.6-65.3000115.8
783T30.1Very low31.4Very low122 Ų122132.4 Ų132.475%0.74875%0.751SS**  trans-115.4153.4-172.2-47.20000111.4
784I34.3Very low31.6Very low164 Ų164129.7 Ų129.784%0.84174%0.741SS**  trans153.4155.1139.9-77.4157.6000112
785N27.8Very low31.7Very low143 Ų143134.3 Ų134.377%0.76575%0.751SS**  trans-89.1178.6-158.5-61.7-40.5000116.5
786S30.7Very low31.5Very low109 Ų109134.7 Ų134.776%0.76275%0.753SS**  trans78.3146.9157.979.20000116.5
787E29.4Very low31.3Very low168 Ų168140.4 Ų140.479%0.78576%0.76SS**  cis-163159.7-11.6-123.7171.9-156.900110.8
788T30.3Very low31Very low114 Ų114140.6 Ų140.670%0.69976%0.758SS**  trans70.5135155.260.80000124.2
789N31.3Very low30.7Very low141 Ų141139.3 Ų139.375%0.75475%0.753SS**  trans80.194.7139.1-63.8-11.3000124.8
790S32.4Very low30.4Very low104 Ų104139.2 Ų139.273%0.72775%0.753SS**  101.3144.9109.578.20000123.5
791T31.9Very low30Very low134 Ų134145.4 Ų145.482%0.82276%0.762SS**  trans83.7131.8158.543.30000124.1
792C26Very low29.7Very low116 Ų116147 Ų14778%0.78477%0.766SS**  trans60.1100.6162.2-81.80000120.2
793S31.3Very low29.2Very low102 Ų102145.1 Ų145.171%0.71376%0.76SS**  74.4133.976.385.70000114.5
794Q35.5Very low28.9Very low143 Ų143144.8 Ų144.867%0.66876%0.758SS**  cis-152.1167.528.4-69.7-175.3-13.800114.3
795K30Very low28.5Very low177 Ų177143.7 Ų143.777%0.7776%0.759SS**  trans67.3127.8153.2-73151.9178.9162.70118.2
796Q31Very low28.4Very low180 Ų180144 Ų14484%0.84176%0.761SS**  cis-135123.5-7.4-69.1163.7-44.800106.7
797R27.2Very low28.2Very low216 Ų216144 Ų14482%0.81576%0.761SS**  44.9136.384.7-74.5-161.4171.8-175.5-2.8114.9
798Q26.3Very low28.1Very low155 Ų155140.2 Ų140.272%0.72475%0.745SS**  cis-178.3150.5-14.1-116.8163.6-12.300103.7
799S27.7Very low28Very low83 Ų83139.5 Ų139.558%0.5874%0.741SS**  cis-175150.446.942.50000110.1W801S799-W801 PolarHBondContact OG-NE1 3.39Å
800K26Very low27.7Very low192 Ų192138.4 Ų138.484%0.83574%0.744SS**  trans-76141.2157.5-73.9172.9173.8174.10108.5
801W23.5Very low27.4Very low225 Ų225138.8 Ų138.885%0.85274%0.742SS**  trans-105.973164.3-76.464.9000109.7S799S799-W801 PolarHBondContact OG-NE1 3.39Å
802N24.1Very low27.1Very low149 Ų149138.8 Ų138.880%0.79774%0.741SS**  trans-109.979.7161-83.515.6000107.2
803T26.5Very low27.3Very low111 Ų111139.6 Ų139.668%0.68174%0.743SS**  trans-140.692.1173.8-35.50000109.5
804T24.3Very low27.1Very low115 Ų115142.1 Ų142.171%0.70675%0.748SS**  35.291.5126.5-36.30000117.7
805T25Very low26.7Very low141 Ų141143.1 Ų143.187%0.86576%0.758SS**  trans-117.562148.245.80000109.8
806N26Very low26.7Very low149 Ų149139.9 Ų139.980%0.79776%0.755SS**  trans-70.4143.1154.1-89.5-15.6000108.1
807S25.9Very low26.7Very low109 Ų109135.7 Ų135.776%0.76275%0.751SS**  trans66.390.5179.7-176.40000115.5
808I28.3Very low26.7Very low88 Ų88131.2 Ų131.245%0.45174%0.74SS.*SBend-154112.7116.8-90.4136.9000108.3V696 D697V696-I808 HydrophobicContact CG1-CD1 4.48Å; D697-I808 WeakPolarHBondContact OD1-CD1 3.37Å
809V27.3Very low26.8Very low100 Ų100129 Ų12961%0.60673%0.728SS**  trans45.5102.7147.2-169.10000117.1T811V809-T811 VanDerWaalsContact CG1-OG1 3.25Å; V809-T811 WeakPolarHBondContact CG1-OG1 3.37Å
810S24.9Very low26.8Very low117 Ų117130.8 Ų130.882%0.81873%0.73SS**  cis65.447.337.797.70000116.5
811T26.1Very low26.9Very low113 Ų113132.3 Ų132.369%0.69373%0.73SS**  trans-159.4136.4157.315.30000111.7V809V809-T811 VanDerWaalsContact CG1-OG1 3.25Å; V809-T811 WeakPolarHBondContact CG1-OG1 3.37Å
812V26.6Very low26.9Very low134 Ų134129.9 Ų129.981%0.81272%0.722SS**SBendtrans67.6116.3160.1-178.40000115.1
813T29.5Very low27.2Very low132 Ų132128.3 Ų128.381%0.8172%0.72SS**  cis-138.9159.312.335.90000113.3
814N26.6Very low27.1Very low156 Ų156129.6 Ų129.683%0.83473%0.728SS**  trans-82.8134.1179.8-60.8-41.4000113.8
815N28.1Very low27.3Very low163 Ų163130.8 Ų130.887%0.87274%0.735SS**  trans-174.3104.2133-110.1-28.8000112.2
816P29.8Very low27.5Very low109 Ų109131.7 Ų131.771%0.70873%0.734SS**  trans-86.8135.2171.133.7-30.4000111.1E818P816-E818 PolarHBondContact O-N 2.95Å
817A30.2Very low27.4Very low92 Ų92131.8 Ų131.876%0.7673%0.734SS**  trans-84.6106.8166.700000109.2
818E27Very low27.4Very low123 Ų123132.9 Ų132.958%0.57573%0.731SS**  trans-67.3131.9-175.3-66.1168.8119.600113.4P816 I820 F870P816-E818 PolarHBondContact O-N 2.95Å; E818-I820 HydrophobicContact CB-CG1 4.37Å; E818-F870 WeakPolarHBondContact OE2-CE1 3.42Å; E818-F870 WeakPolarHBondContact OE2-CZ 3.45Å
819F28.5Very low27.3Very low108 Ų108136.5 Ų136.547%0.47475%0.746SS.*  trans-101.9102.1164.1-77.7-91.1000109.5V483 L727V483-F819 HydrophobicContact CG1-CE1 4.45Å; L727-F819 HydrophobicContact CD2-CE1 3.86Å; L727-F819 HydrophobicContact CD2-CZ 3.74Å
820I28.1Very low27.3Very low120 Ų120136.2 Ų136.262%0.61575%0.748SS**PPolyproline II helixtrans-88.6129.5-179.3-62177.5000110.8E818 F870E818-I820 HydrophobicContact CB-CG1 4.37Å; I820-F870 HydrophobicContact CD1-CD1 4.12Å
821R27.8Very low27.6Very low225 Ų225137.6 Ų137.685%0.84975%0.747SS**PPolyproline II helixtrans-83.7139.5-179.6-63.4176174-177-1.1111.6P823R821-P823 WeakPolarHBondContact O-CD 3.29Å
822Y25.3Very low27.7Very low173 Ų173138.8 Ų138.868%0.67875%0.747SS**PPolyproline II helixtrans-71.3132.4169.3-71.3-86.9000112.6
823P29.4Very low27.9Very low116 Ų116140 Ų14075%0.75375%0.748SS**PPolyproline II helixtrans-97.4145.8157.912.47000112.2R821R821-P823 WeakPolarHBondContact O-CD 3.29Å
824T24.8Very low27.9Very low138 Ų138141.6 Ų141.685%0.84774%0.743SS**PPolyproline II helixtrans-66.9138178.3-23.70000112.1
825V28.6Very low28.2Very low140 Ų140142 Ų14285%0.84874%0.74SS**  trans-107.1130.6169.4179.60000110.5
826L27.7Very low28.4Very low161 Ų161139.1 Ų139.184%0.84373%0.73SS**  trans-79157.6-174.8-69.2111.4000113.6
827N24.5Very low28.4Very low151 Ų151143 Ų14381%0.80774%0.738SS**  trans-76.2168.6169.6-88.5-23.5000113.1
828N25.9Very low28.5Very low131 Ų131143.9 Ų143.970%0.70174%0.739SS**  trans101.4103.7152-63.7-14.6000120.6
829H27.1Very low28.5Very low165 Ų165144.3 Ų144.376%0.76475%0.75SS**  65118.9117.3-64.3-60.3000124.1
830S27.3Very low28.6Very low93 Ų93145.7 Ų145.765%0.6577%0.767SS**  73.7126.7129.261.30000122.9
831N31.9Very low28.8Very low147 Ų147149.5 Ų149.579%0.78678%0.779SS**  159.694.7128.5-78.3-23000109.4
832I28.1Very low29Very low138 Ų138145.3 Ų145.371%0.70877%0.768SS**  58115.880.2-57.1179.8000115.8
833I30.7Very low29.4Very low160 Ų160146.4 Ų146.482%0.82178%0.776SS**  trans-172.9104.8145.3-87139.5000106
834K29.5Very low29.6Very low165 Ų165149.2 Ų149.272%0.71778%0.777SS**  52.3136.593.2-64-173.3175.2179.70114.7
835H31.2Very low30.1Very low164 Ų164147.1 Ų147.176%0.75976%0.763SS**  cis-174.4-170.8-4.2-105.8-44.1000107
836P33.7Very low30.5Very low102 Ų102145.2 Ų145.266%0.66275%0.745SS**  cis-133.9164-20.527.9-4.8000117.2
837Q29.8Very low31.1Very low190 Ų190145.9 Ų145.989%0.88874%0.741SS**  trans50.6110.2141-63.1174.35.100124.4
838S30.8Very low31.8Very low111 Ų111144.9 Ų144.978%0.77673%0.733SS**  -150.8148.5117.873.60000110.9
839T28.5Very low32.5Very low132 Ų132145.8 Ų145.881%0.8173%0.731SS**  trans-98.1139-172.748.70000109.5
840V29.1Very low33.2Very low137 Ų137144.3 Ų144.383%0.8373%0.729SS**SBend-160.5-2.367.7154.50000112.3
841K33.6Very low34Very low200 Ų200144.9 Ų144.987%0.8772%0.724SS**SBendtrans-98.316.8-164.3-69.7-175175.3178.60117.9
842K32.3Very low34.8Very low138 Ų138143 Ų14360%0.672%0.718SS**  trans-88.7-21-162.2-88.5-177.6163.9-163.90119.5F844 E846K842-F844 VanDerWaalsContact C-N 3.32Å; K842-F844 PolarHBondContact O-N 2.95Å; K842-F844 VanDerWaalsContact O-N 3.09Å; K842-E846 WeakPolarHBondContact CD-OE1 3.46Å
843K33.9Very low35.7Very low196 Ų196140.8 Ų140.885%0.85270%0.702SS**THydrogen-bonded Turntrans-68.1-10.8-166.9-86.2-174.7175.41780118
844F31.8Very low36.6Very low175 Ų175137.7 Ų137.777%0.76868%0.68SS**THydrogen-bonded Turntrans-104-31.5-179.4-140.9-94.4000113.8K842K842-F844 VanDerWaalsContact C-N 3.32Å; K842-F844 PolarHBondContact O-N 2.95Å; K842-F844 VanDerWaalsContact O-N 3.09Å
845V36.1Very low37.6Very low93 Ų93132 Ų13256%0.56466%0.66SS**THydrogen-bonded Turntrans-78.9-36.6-179.3-178.80000111.5K847 M848 F849V845-K847 PolarHBondContact O-N 3.45Å; V845-K847 VanDerWaalsContact O-N 3.15Å; V845-M848 PolarHBondContact O-N 2.91Å; V845-F849 HydrophobicContact CG1-CD2 4.18Å; V845-F849 HydrophobicContact CG1-CE2 4.35Å; V845-F849 PolarHBondContact O-N 3.32Å
846E37.1Very low38.6Very low100 Ų100128.7 Ų128.747%0.46765%0.648SS.*THydrogen-bonded Turntrans-63.7-18.1175.4-71.7171.8165.700113K842 N850K842-E846 WeakPolarHBondContact CD-OE1 3.46Å; E846-N850 PolarHBondContact O-ND2 3.44Å
847K41.3Very low39.4Very low176 Ų176126.5 Ų126.577%0.76563%0.631SS**THydrogen-bonded Turntrans-85.7-14.6178.8-147172.4-173.81770114V845V845-K847 PolarHBondContact O-N 3.45Å; V845-K847 VanDerWaalsContact O-N 3.15Å
848M38.1Very low40.4Very low129 Ų129123.3 Ų123.364%0.63562%0.616SS**THydrogen-bonded Turntrans-94-26.3172.3-84.7-179.1156.700113V845V845-M848 PolarHBondContact O-N 2.91Å
849F40.8Very low41.6Very low151 Ų151122.4 Ų122.466%0.66260%0.602SS**THydrogen-bonded Turntrans-83.1-10.7179.1-91.6-86.7000114.7V845V845-F849 HydrophobicContact CG1-CD2 4.18Å; V845-F849 HydrophobicContact CG1-CE2 4.35Å; V845-F849 PolarHBondContact O-N 3.32Å
850N42.4Very low42.6Very low134 Ų134121.6 Ų121.672%0.71759%0.593SS**THydrogen-bonded Turntrans-90.2-4.1-179.9-80.1-13.2000114.6E846 T852E846-N850 PolarHBondContact O-ND2 3.44Å; N850-T852 PolarHBondContact O-N 3.32Å
851D43.4Very low43.8Very low104 Ų104119.6 Ų119.656%0.55657%0.571SS**  trans-78.4102.5167.9-96-20.7000109.1Y853 Y854 P855D851-Y853 PolarHBondContact O-N 3.34Å; D851-Y854 PolarHBondContact O-N 2.88Å; D851-P855 WeakPolarHBondContact O-CD 3.38Å
852T48.8Very low44.9Very low107 Ų107116.4 Ų116.466%0.65656%0.557SS**THydrogen-bonded Turntrans-55-19.4-178.847.90000114.3N850 N856N850-T852 PolarHBondContact O-N 3.32Å; T852-N856 VanDerWaalsContact O-CB 3.31Å; T852-N856 WeakPolarHBondContact O-CB 3.35Å; T852-N856 PolarHBondContact O-N 2.75Å; T852-N856 PolarHBondContact O-ND2 3.43Å
853Y46.3Very low46Very low92 Ų92113.8 Ų113.836%0.36155%0.552SS.*Hα-helixtrans-59.5-47.3179.1-171.1-106.1000113.5L473 N475 D851 L857L473-Y853 HydrophobicContact CD2-CE1 4.28Å; N475-Y853 PolarHBondContact ND2-OH 2.79Å; N475-Y853 PolarHBondContact OD1-OH 3.2Å; D851-Y853 PolarHBondContact O-N 3.34Å; Y853-L857 HydrophobicContact CD1-CD1 4.24Å; Y853-L857 HydrophobicContact CE1-CD1 3.61Å; Y853-L857 HydrophobicContact CE2-CD1 4.46Å; Y853-L857 PolarHBondContact O-N 2.68Å; Y853-L857 VanDerWaalsContact O-N 3.08Å
854Y50.9Low46.7Very low95 Ų95106.9 Ų106.937%0.37353%0.529SS..Hα-helixtrans-78.9-42.6-172-72.7-80.5000114.4D851 N856 L857 Q858 F886D851-Y854 PolarHBondContact O-N 2.88Å; Y854-N856 PolarHBondContact O-N 3.4Å; Y854-L857 PolarHBondContact O-N 3.07Å; Y854-Q858 WeakPolarHBondContact O-CB 3.49Å; Y854-Q858 PolarHBondContact O-N 3.4Å; Y854-F886 HydrophobicContact CD1-CD2 4.41Å; Y854-F886 HydrophobicContact CD1-CE1 4.32Å; Y854-F886 AromaticContact CD1-CE2 3.72Å; Y854-F886 HydrophobicContact CD1-CE2 3.72Å; Y854-F886 AromaticContact CD1-CZ 3.65Å; Y854-F886 HydrophobicContact CD1-CZ 3.65Å; Y854-F886 AromaticContact CE1-CD2 3.8Å; Y854-F886 HydrophobicContact CE1-CD2 3.8Å; Y854-F886 AromaticContact CE1-CE2 3.3Å; Y854-F886 HydrophobicContact CE1-CE2 3.3Å; Y854-F886 AromaticContact CE1-CZ 3.77Å; Y854-F886 HydrophobicContact CE1-CZ 3.77Å; Y854-F886 HydrophobicContact CG-CZ 4.36Å; Y854-F886 AromaticContact CZ-CE2 3.91Å
855P49Very low47.5Very low46 Ų46104.1 Ų104.130%0.29952%0.522SS..Hα-helixtrans-60.1-35170.9-24.435.5000112.3D851 Q858 N859D851-P855 WeakPolarHBondContact O-CD 3.38Å; P855-Q858 PolarHBondContact O-N 3.45Å; P855-N859 VanDerWaalsContact O-CB 3.27Å; P855-N859 WeakPolarHBondContact O-CB 3.47Å; P855-N859 PolarHBondContact O-N 3.29Å
856N51.9Low48.1Very low94 Ų94105.8 Ų105.850%0.50353%0.527SS..Hα-helixtrans-68.2-39.8174.7-74.2-10.7000112.3T852 Y854 N859 L860T852-N856 VanDerWaalsContact O-CB 3.31Å; T852-N856 WeakPolarHBondContact O-CB 3.35Å; T852-N856 PolarHBondContact O-N 2.75Å; T852-N856 PolarHBondContact O-ND2 3.43Å; Y854-N856 PolarHBondContact O-N 3.4Å; N856-N859 PolarHBondContact O-N 2.94Å; N856-L860 WeakPolarHBondContact O-CB 3.24Å; N856-L860 WeakPolarHBondContact O-CD1 3.35Å; N856-L860 VanDerWaalsContact O-CG 3.28Å; N856-L860 WeakPolarHBondContact O-CG 3.45Å; N856-L860 PolarHBondContact O-N 3.15Å
857L51.1Low48.3Very low57 Ų57110.5 Ų110.530%0.29855%0.549SS..Hα-helixtrans-67-36.9175.2-126.1151000112.2Y853 Y854 Y861 L879Y853-L857 HydrophobicContact CD1-CD1 4.24Å; Y853-L857 HydrophobicContact CE1-CD1 3.61Å; Y853-L857 HydrophobicContact CE2-CD1 4.46Å; Y853-L857 PolarHBondContact O-N 2.68Å; Y853-L857 VanDerWaalsContact O-N 3.08Å; Y854-L857 PolarHBondContact O-N 3.07Å; L857-Y861 PolarHBondContact O-N 2.88Å; L857-Y861 VanDerWaalsContact O-N 3.08Å; L857-L879 HydrophobicContact CD2-CD2 3.93Å
858Q51.1Low48.4Very low122 Ų122111.8 Ų111.857%0.5756%0.555SS**Hα-helixtrans-76.1-32.7176.8-162.3173.723.300112.6Y854 P855 K862Y854-Q858 WeakPolarHBondContact O-CB 3.49Å; Y854-Q858 PolarHBondContact O-N 3.4Å; P855-Q858 PolarHBondContact O-N 3.45Å; Q858-K862 WeakPolarHBondContact O-CB 3.49Å; Q858-K862 WeakPolarHBondContact O-CG 3.43Å; Q858-K862 PolarHBondContact O-N 2.83Å
859N55Low48.4Very low92 Ų92112.3 Ų112.349%0.49256%0.56SS.*Hα-helixtrans-67.6-47.7168.3-84.7-6.7000110.8P855 N856 Y861 K862 T863P855-N859 VanDerWaalsContact O-CB 3.27Å; P855-N859 WeakPolarHBondContact O-CB 3.47Å; P855-N859 PolarHBondContact O-N 3.29Å; N856-N859 PolarHBondContact O-N 2.94Å; N859-Y861 VanDerWaalsContact C-N 3.25Å; N859-Y861 PolarHBondContact O-N 2.83Å; N859-K862 CarbonylContact O-C 3.59Å; N859-K862 WeakPolarHBondContact O-CA 3.32Å; N859-K862 PolarHBondContact O-N 2.66Å; N859-T863 PolarHBondContact O-N 2.81Å; N859-T863 PolarHBondContact O-OG1 3.15Å
860L50.8Low48.2Very low116 Ų116111.6 Ų111.661%0.60756%0.557SS**Hα-helixtrans-54.6-41.4175.5-80162.5000112.1N856 S864N856-L860 WeakPolarHBondContact O-CB 3.24Å; N856-L860 WeakPolarHBondContact O-CD1 3.35Å; N856-L860 VanDerWaalsContact O-CG 3.28Å; N856-L860 WeakPolarHBondContact O-CG 3.45Å; N856-L860 PolarHBondContact O-N 3.15Å; L860-S864 VanDerWaalsContact O-CB 3.28Å; L860-S864 WeakPolarHBondContact O-CB 3.49Å; L860-S864 PolarHBondContact O-N 2.96Å; L860-S864 PolarHBondContact O-OG 2.94Å
861Y53.3Low48.3Very low95 Ų95108.9 Ų108.937%0.37354%0.542SS..Hα-helixtrans-64.3-42.4172.7-175.5-103.1000112.6L857 N859 S864 L865L857-Y861 PolarHBondContact O-N 2.88Å; L857-Y861 VanDerWaalsContact O-N 3.08Å; N859-Y861 VanDerWaalsContact C-N 3.25Å; N859-Y861 PolarHBondContact O-N 2.83Å; Y861-S864 WeakPolarHBondContact CA-OG 3.46Å; Y861-S864 PolarHBondContact O-N 3.24Å; Y861-S864 PolarHBondContact O-OG 3.5Å; Y861-L865 HydrophobicContact CE1-CD1 4.37Å
862K57.3Low48Very low132 Ų132107.4 Ų107.457%0.57453%0.534SS*.Hα-helixtrans-68.9-39.4177.5-79.4-178.7172.8-174.80114Q858 N859 S864 L865Q858-K862 WeakPolarHBondContact O-CB 3.49Å; Q858-K862 WeakPolarHBondContact O-CG 3.43Å; Q858-K862 PolarHBondContact O-N 2.83Å; N859-K862 CarbonylContact O-C 3.59Å; N859-K862 WeakPolarHBondContact O-CA 3.32Å; N859-K862 PolarHBondContact O-N 2.66Å; K862-S864 VanDerWaalsContact C-N 3.3Å; K862-L865 PolarHBondContact O-N 3.43Å
863T55.6Low47.7Very low83 Ų83109.7 Ų109.751%0.50953%0.532SS..Hα-helixtrans-70.9-28.9175.7-45.10000110.8N859 L865 D866N859-T863 PolarHBondContact O-N 2.81Å; N859-T863 PolarHBondContact O-OG1 3.15Å; T863-L865 PolarHBondContact O-N 3.46Å; T863-D866 PolarHBondContact O-N 3.03Å
864S48.7Very low47.5Very low51 Ų51108.6 Ų108.636%0.35753%0.53SS..THydrogen-bonded Turntrans-74.31.8174.174.30000115.5L860 Y861 K862L860-S864 VanDerWaalsContact O-CB 3.28Å; L860-S864 WeakPolarHBondContact O-CB 3.49Å; L860-S864 PolarHBondContact O-N 2.96Å; L860-S864 PolarHBondContact O-OG 2.94Å; Y861-S864 WeakPolarHBondContact CA-OG 3.46Å; Y861-S864 PolarHBondContact O-N 3.24Å; Y861-S864 PolarHBondContact O-OG 3.5Å; K862-S864 VanDerWaalsContact C-N 3.3Å
865L48.7Very low47.3Very low118 Ų118106 Ų10662%0.61852%0.524SS*.THydrogen-bonded Turntrans-89.4-11.5173.5-83.9153.7000113.1Y861 K862 T863Y861-L865 HydrophobicContact CE1-CD1 4.37Å; K862-L865 PolarHBondContact O-N 3.43Å; T863-L865 PolarHBondContact O-N 3.46Å
866D48.7Very low47.5Very low127 Ų127110.2 Ų110.268%0.67954%0.537SS*.SBendtrans-86.4127.3172.2-71.1-39.1000110.5T863 K868T863-D866 PolarHBondContact O-N 3.03Å; D866-K868 VanDerWaalsContact C-N 3.26Å; D866-K868 PolarHBondContact O-N 3.3Å
867E40.6Very low47.8Very low199 Ų199108.3 Ų108.393%0.9353%0.526SS*.THydrogen-bonded Turntrans-73.936.3-157.8-59.1-174.5122.400117.2
868K44.2Very low48Very low204 Ų204110.2 Ų110.289%0.88754%0.536SS*.THydrogen-bonded Turntrans-130.2-7.3-176.7-72.9-172.3176.71770117.8D866D866-K868 VanDerWaalsContact C-N 3.26Å; D866-K868 PolarHBondContact O-N 3.3Å
869D38.7Very low48.3Very low139 Ų139106.4 Ų106.474%0.74352%0.519SS*.SBendtrans-106.6134.5-179.2-80.7-33.7000114.4L871D869-L871 PolarHBondContact O-N 2.92Å
870F36.9Very low48.6Very low136 Ų136106.1 Ų106.160%0.59651%0.514SS*.  trans-8177-166.5-159.7-91.7000112.9E818 I820 L872E818-F870 WeakPolarHBondContact OE2-CE1 3.42Å; E818-F870 WeakPolarHBondContact OE2-CZ 3.45Å; I820-F870 HydrophobicContact CD1-CD1 4.12Å; F870-L872 HydrophobicContact CE1-CD2 4.27Å
871L42.8Very low49.2Very low78 Ų78107.5 Ų107.541%0.40851%0.512SS..  trans-96.3112.8175.4-155.2108.6000111.4D869 T875 K876 L879D869-L871 PolarHBondContact O-N 2.92Å; L871-T875 HydrophobicContact CD1-CG2 4.33Å; L871-T875 HydrophobicContact CD2-CG2 3.96Å; L871-T875 HydrophobicContact CG-CG2 4.08Å; L871-K876 HydrophobicContact CD2-CB 4.21Å; L871-L879 HydrophobicContact CD2-CD1 3.77Å
872L38.2Very low49.5Very low72 Ų72106.5 Ų106.538%0.37751%0.51SS..  trans-48.6139.6-180-67.3170.8000112.4F870 E874 T875 K876F870-L872 HydrophobicContact CE1-CD2 4.27Å; L872-E874 PolarHBondContact O-N 3.14Å; L872-E874 VanDerWaalsContact O-N 3.1Å; L872-T875 CarbonylContact O-C 3.58Å; L872-T875 WeakPolarHBondContact O-CA 3.43Å; L872-T875 WeakPolarHBondContact O-CB 3.38Å; L872-T875 PolarHBondContact O-N 3.25Å; L872-K876 PolarHBondContact O-N 3.25Å
873Y41.3Very low49.9Very low155 Ų155102 Ų10261%0.60850%0.495SS*.Hα-helixtrans-53.8-33.5-178.9179.4-115.6000113.4K876 Q877Y873-K876 WeakPolarHBondContact O-CB 3.5Å; Y873-K876 PolarHBondContact O-N 3.24Å; Y873-Q877 PolarHBondContact O-N 2.93Å; Y873-Q877 PolarHBondContact OH-NE2 2.92Å
874E43.6Very low50.4Low70 Ų70103.3 Ų103.333%0.32750%0.496SS..Hα-helixtrans-74.8-34.2176.8-62.870.1-160.700112.1R486 L872 Q877 L878R486-E874 IonicContact CZ-OE1 3.81Å; R486-E874 IonicContact CZ-OE2 2.8Å; R486-E874 VanDerWaalsContact CZ-OE2 3.31Å; R486-E874 IonicContact NH1-OE1 3.27Å; R486-E874 IonicContact NH1-OE2 3.98Å; R486-E874 PolarHBondContact NH1-OE2 2.81Å; R486-E874 IonicContact NH2-OE1 2.9Å; R486-E874 PolarHBondContact NH2-OE1 2.94Å; R486-E874 IonicContact NH2-OE2 3.67Å; R486-E874 PolarHBondContact NH2-OE2 3.06Å; L872-E874 PolarHBondContact O-N 3.14Å; L872-E874 VanDerWaalsContact O-N 3.1Å; E874-Q877 PolarHBondContact O-N 2.96Å; E874-L878 VanDerWaalsContact O-CB 3.3Å; E874-L878 WeakPolarHBondContact O-CB 3.44Å; E874-L878 PolarHBondContact O-N 3.38Å
875T45.3Very low51.2Low40 Ų40109.9 Ų109.925%0.24551%0.513CS..Hα-helixtrans-70.1-37.4171.7-49.70000110.1L871 L872 L878 L879L871-T875 HydrophobicContact CD1-CG2 4.33Å; L871-T875 HydrophobicContact CD2-CG2 3.96Å; L871-T875 HydrophobicContact CG-CG2 4.08Å; L872-T875 CarbonylContact O-C 3.58Å; L872-T875 WeakPolarHBondContact O-CA 3.43Å; L872-T875 WeakPolarHBondContact O-CB 3.38Å; L872-T875 PolarHBondContact O-N 3.25Å; T875-L878 PolarHBondContact O-N 3.02Å; T875-L879 HydrophobicContact CG2-CD1 4.39Å; T875-L879 WeakPolarHBondContact O-CB 3.49Å; T875-L879 WeakPolarHBondContact O-CG 3.17Å; T875-L879 PolarHBondContact O-N 3.29Å
876K53.1Low51.8Low134 Ų134108.2 Ų108.258%0.58350%0.501SS*.Hα-helixtrans-59.6-49.8170.4-168.8171.7-176.81690110.6L871 L872 Y873 L878 L879 E880L871-K876 HydrophobicContact CD2-CB 4.21Å; L872-K876 PolarHBondContact O-N 3.25Å; Y873-K876 WeakPolarHBondContact O-CB 3.5Å; Y873-K876 PolarHBondContact O-N 3.24Å; K876-L878 VanDerWaalsContact C-N 3.34Å; K876-L878 PolarHBondContact O-N 3.36Å; K876-L879 PolarHBondContact O-N 2.94Å; K876-E880 WeakPolarHBondContact O-CB 3.5Å; K876-E880 PolarHBondContact O-N 2.8Å
877Q59.5Low52.7Low55 Ų55106.2 Ų106.226%0.25749%0.49SS..Hα-helixtrans-63-33.7173-79.2-165.144.300113.6Y873 E874 R881Y873-Q877 PolarHBondContact O-N 2.93Å; Y873-Q877 PolarHBondContact OH-NE2 2.92Å; E874-Q877 PolarHBondContact O-N 2.96Å; Q877-R881 VanDerWaalsContact O-CB 3.29Å; Q877-R881 WeakPolarHBondContact O-CB 3.33Å; Q877-R881 WeakPolarHBondContact O-CG 3.4Å; Q877-R881 PolarHBondContact O-N 3.39Å
878L55.4Low54Low97 Ų97103 Ų10351%0.50847%0.473SS..Hα-helixtrans-69.7-48.9178.2-171.375.8000110.6E874 T875 K876 E880 R881 Q882E874-L878 VanDerWaalsContact O-CB 3.3Å; E874-L878 WeakPolarHBondContact O-CB 3.44Å; E874-L878 PolarHBondContact O-N 3.38Å; T875-L878 PolarHBondContact O-N 3.02Å; K876-L878 VanDerWaalsContact C-N 3.34Å; K876-L878 PolarHBondContact O-N 3.36Å; L878-E880 VanDerWaalsContact C-N 3.29Å; L878-E880 PolarHBondContact O-N 3.37Å; L878-R881 PolarHBondContact O-N 3.13Å; L878-Q882 WeakPolarHBondContact O-CB 3.19Å; L878-Q882 WeakPolarHBondContact O-CG 3.29Å; L878-Q882 PolarHBondContact O-N 3.37Å
879L56.3Low54.9Low41 Ų4195.8 Ų95.822%0.21545%0.451CS..Hα-helixtrans-60.5-39.9174.3-71.5174.2000111.1L857 L871 T875 K876 Q882 S883L857-L879 HydrophobicContact CD2-CD2 3.93Å; L871-L879 HydrophobicContact CD2-CD1 3.77Å; T875-L879 HydrophobicContact CG2-CD1 4.39Å; T875-L879 WeakPolarHBondContact O-CB 3.49Å; T875-L879 WeakPolarHBondContact O-CG 3.17Å; T875-L879 PolarHBondContact O-N 3.29Å; K876-L879 PolarHBondContact O-N 2.94Å; L879-Q882 PolarHBondContact O-N 3.17Å; L879-S883 WeakPolarHBondContact O-CB 3.34Å; L879-S883 PolarHBondContact O-N 3.22Å
880E61.3Low55.9Low86 Ų8692.1 Ų92.140%0.40243%0.431SS..Hα-helixtrans-66.2-43.9175.3-174.5173.4-151.200112.1K876 L878 S883 Q884K876-E880 WeakPolarHBondContact O-CB 3.5Å; K876-E880 PolarHBondContact O-N 2.8Å; L878-E880 VanDerWaalsContact C-N 3.29Å; L878-E880 PolarHBondContact O-N 3.37Å; E880-S883 WeakPolarHBondContact O-CB 3.48Å; E880-S883 PolarHBondContact O-N 3.36Å; E880-Q884 VanDerWaalsContact O-CB 3.32Å; E880-Q884 WeakPolarHBondContact O-CB 3.29Å; E880-Q884 WeakPolarHBondContact O-CG 3.47Å; E880-Q884 PolarHBondContact O-N 3.47Å
881R64.7Low57.1Low145 Ų14589 Ų8955%0.54742%0.424SS..Hα-helixtrans-67.3-35.4174.8-73.5171.1-169.4-179.56.6112.7Q877 L878 R885Q877-R881 VanDerWaalsContact O-CB 3.29Å; Q877-R881 WeakPolarHBondContact O-CB 3.33Å; Q877-R881 WeakPolarHBondContact O-CG 3.4Å; Q877-R881 PolarHBondContact O-N 3.39Å; L878-R881 PolarHBondContact O-N 3.13Å; R881-R885 VanDerWaalsContact O-CB 3.26Å; R881-R885 WeakPolarHBondContact O-CB 3.47Å; R881-R885 VanDerWaalsContact O-CG 3.26Å; R881-R885 WeakPolarHBondContact O-CG 3.44Å; R881-R885 PolarHBondContact O-N 3.27Å
882Q59.3Low58Low74 Ų7489 Ų8935%0.34642%0.424SS..Hα-helixtrans-67.4-46.4173.4-71.4-77.717.100110.2L878 L879 R885 F886L878-Q882 WeakPolarHBondContact O-CB 3.19Å; L878-Q882 WeakPolarHBondContact O-CG 3.29Å; L878-Q882 PolarHBondContact O-N 3.37Å; L879-Q882 PolarHBondContact O-N 3.17Å; Q882-R885 PolarHBondContact O-N 3.09Å; Q882-F886 VanDerWaalsContact O-CB 3.24Å; Q882-F886 WeakPolarHBondContact O-CB 3.37Å; Q882-F886 PolarHBondContact O-N 2.89Å
883S65.4Low58.7Low37 Ų3790.5 Ų90.526%0.25943%0.429SS..Hα-helixtrans-56-51.4172.2171.60000111.5L879 E880 R885 F886 N887L879-S883 WeakPolarHBondContact O-CB 3.34Å; L879-S883 PolarHBondContact O-N 3.22Å; E880-S883 WeakPolarHBondContact O-CB 3.48Å; E880-S883 PolarHBondContact O-N 3.36Å; S883-R885 PolarHBondContact O-N 2.9Å; S883-F886 PolarHBondContact O-N 3.39Å; S883-N887 WeakPolarHBondContact O-CB 3.33Å; S883-N887 PolarHBondContact O-N 3.2Å; S883-N887 PolarHBondContact O-ND2 2.92Å; S883-N887 VanDerWaalsContact O-ND2 3.16Å; S883-N887 PolarHBondContact OG-ND2 3.03Å
884Q66.7Low59.5Low112 Ų11286.7 Ų86.752%0.52342%0.418SS..Hα-helixtrans-62.4-39.3177.1-73.4172.85.400112.4E880 K888E880-Q884 VanDerWaalsContact O-CB 3.32Å; E880-Q884 WeakPolarHBondContact O-CB 3.29Å; E880-Q884 WeakPolarHBondContact O-CG 3.47Å; E880-Q884 PolarHBondContact O-N 3.47Å; Q884-K888 WeakPolarHBondContact O-CB 3.25Å; Q884-K888 PolarHBondContact O-N 3.27Å
885R64.5Low60.2Low189 Ų18988 Ų8871%0.71343%0.427SS*.Hα-helixtrans-68.9-40.1175.4-82177166.4-169.8-3.3112.8R881 Q882 S883 K888 A889R881-R885 VanDerWaalsContact O-CB 3.26Å; R881-R885 WeakPolarHBondContact O-CB 3.47Å; R881-R885 VanDerWaalsContact O-CG 3.26Å; R881-R885 WeakPolarHBondContact O-CG 3.44Å; R881-R885 PolarHBondContact O-N 3.27Å; Q882-R885 PolarHBondContact O-N 3.09Å; S883-R885 PolarHBondContact O-N 2.9Å; R885-K888 PolarHBondContact O-N 3.08Å; R885-A889 WeakPolarHBondContact O-CB 3.37Å; R885-A889 PolarHBondContact O-N 3.12Å
886F61.7Low60.5Low83 Ų8390.9 Ų90.936%0.36444%0.44SS..Hα-helixtrans-69.6-47.9177.3-178.6-106.3000110.9Y854 Q882 S883 K888 A889 I890Y854-F886 HydrophobicContact CD1-CD2 4.41Å; Y854-F886 HydrophobicContact CD1-CE1 4.32Å; Y854-F886 AromaticContact CD1-CE2 3.72Å; Y854-F886 HydrophobicContact CD1-CE2 3.72Å; Y854-F886 AromaticContact CD1-CZ 3.65Å; Y854-F886 HydrophobicContact CD1-CZ 3.65Å; Y854-F886 AromaticContact CE1-CD2 3.8Å; Y854-F886 HydrophobicContact CE1-CD2 3.8Å; Y854-F886 AromaticContact CE1-CE2 3.3Å; Y854-F886 HydrophobicContact CE1-CE2 3.3Å; Y854-F886 AromaticContact CE1-CZ 3.77Å; Y854-F886 HydrophobicContact CE1-CZ 3.77Å; Y854-F886 HydrophobicContact CG-CZ 4.36Å; Y854-F886 AromaticContact CZ-CE2 3.91Å; Q882-F886 VanDerWaalsContact O-CB 3.24Å; Q882-F886 WeakPolarHBondContact O-CB 3.37Å; Q882-F886 PolarHBondContact O-N 2.89Å; S883-F886 PolarHBondContact O-N 3.39Å; F886-K888 VanDerWaalsContact C-N 3.28Å; F886-K888 PolarHBondContact O-N 3.44Å; F886-A889 PolarHBondContact O-N 3.38Å; F886-I890 HydrophobicContact CD1-CD1 3.96Å; F886-I890 HydrophobicContact CE1-CD1 3.34Å; F886-I890 HydrophobicContact CE1-CG1 4.32Å; F886-I890 HydrophobicContact CE2-CD1 4.04Å; F886-I890 HydrophobicContact CE2-CG1 4.43Å; F886-I890 HydrophobicContact CZ-CD1 3.4Å; F886-I890 VanDerWaalsContact CZ-CD1 3.4Å; F886-I890 HydrophobicContact CZ-CG1 4.26Å; F886-I890 WeakPolarHBondContact O-CB 3.39Å; F886-I890 PolarHBondContact O-N 2.86Å
887N66.3Low60.3Low84 Ų8488 Ų8845%0.44943%0.431SS..Hα-helixtrans-58.6-40.3171.7-72.5-30.4000110.9S883 T891S883-N887 WeakPolarHBondContact O-CB 3.33Å; S883-N887 PolarHBondContact O-N 3.2Å; S883-N887 PolarHBondContact O-ND2 2.92Å; S883-N887 VanDerWaalsContact O-ND2 3.16Å; S883-N887 PolarHBondContact OG-ND2 3.03Å; N887-T891 WeakPolarHBondContact O-CA 3.39Å; N887-T891 WeakPolarHBondContact O-CB 3.35Å; N887-T891 PolarHBondContact O-N 3.04Å; N887-T891 PolarHBondContact O-OG1 2.95Å
888K69.2Low59.5Low132 Ų13291.9 Ų91.957%0.57445%0.447SS*.Hα-helixtrans-66.1-45.3173.7-178169.1-178173.20112.1Q884 R885 F886 I890 T891 D892Q884-K888 WeakPolarHBondContact O-CB 3.25Å; Q884-K888 PolarHBondContact O-N 3.27Å; R885-K888 PolarHBondContact O-N 3.08Å; F886-K888 VanDerWaalsContact C-N 3.28Å; F886-K888 PolarHBondContact O-N 3.44Å; K888-I890 PolarHBondContact O-N 2.74Å; K888-T891 CarbonylContact O-C 3.57Å; K888-T891 PolarHBondContact O-N 2.77Å; K888-T891 VanDerWaalsContact O-N 3.14Å; K888-D892 WeakPolarHBondContact CE-OD2 3.34Å; K888-D892 WeakPolarHBondContact CG-OD2 3.5Å; K888-D892 VanDerWaalsContact O-CB 3.29Å; K888-D892 WeakPolarHBondContact O-CB 3.44Å; K888-D892 PolarHBondContact O-N 2.86Å
889A63.3Low58.8Low52 Ų5291.9 Ų91.943%0.4345%0.451SS..Hα-helixtrans-62.5-43.4177.100000111.8R885 F886 D892 E893R885-A889 WeakPolarHBondContact O-CB 3.37Å; R885-A889 PolarHBondContact O-N 3.12Å; F886-A889 PolarHBondContact O-N 3.38Å; A889-D892 PolarHBondContact O-N 3.18Å; A889-E893 WeakPolarHBondContact O-CB 3.44Å; A889-E893 PolarHBondContact O-N 3.48Å
890I59.6Low58Low62 Ų6297.4 Ų97.432%0.31847%0.474SS..Hα-helixtrans-63.6-39.3171.4-76.5-171.2000111.1F886 K888 I894F886-I890 HydrophobicContact CD1-CD1 3.96Å; F886-I890 HydrophobicContact CE1-CD1 3.34Å; F886-I890 HydrophobicContact CE1-CG1 4.32Å; F886-I890 HydrophobicContact CE2-CD1 4.04Å; F886-I890 HydrophobicContact CE2-CG1 4.43Å; F886-I890 HydrophobicContact CZ-CD1 3.4Å; F886-I890 VanDerWaalsContact CZ-CD1 3.4Å; F886-I890 HydrophobicContact CZ-CG1 4.26Å; F886-I890 WeakPolarHBondContact O-CB 3.39Å; F886-I890 PolarHBondContact O-N 2.86Å; K888-I890 PolarHBondContact O-N 2.74Å; I890-I894 HydrophobicContact CG2-CD1 3.49Å; I890-I894 VanDerWaalsContact CG2-CD1 3.49Å; I890-I894 HydrophobicContact CG2-CG1 4.15Å; I890-I894 WeakPolarHBondContact O-CA 3.31Å; I890-I894 WeakPolarHBondContact O-CB 3.13Å; I890-I894 WeakPolarHBondContact O-CG1 3.12Å; I890-I894 PolarHBondContact O-N 3.18Å
891T62Low56.9Low72 Ų72101.2 Ų101.244%0.44249%0.492SS..Hα-helixtrans-70.1-42.7179.2-59.80000110.7N887 K888 I894 L895N887-T891 WeakPolarHBondContact O-CA 3.39Å; N887-T891 WeakPolarHBondContact O-CB 3.35Å; N887-T891 PolarHBondContact O-N 3.04Å; N887-T891 PolarHBondContact O-OG1 2.95Å; K888-T891 CarbonylContact O-C 3.57Å; K888-T891 PolarHBondContact O-N 2.77Å; K888-T891 VanDerWaalsContact O-N 3.14Å; T891-I894 CarbonylContact O-C 3.43Å; T891-I894 PolarHBondContact O-N 3.41Å; T891-L895 HydrophobicContact CG2-CD1 3.67Å; T891-L895 VanDerWaalsContact O-CB 3.28Å; T891-L895 WeakPolarHBondContact O-CB 3.48Å; T891-L895 VanDerWaalsContact O-CD1 3.25Å; T891-L895 WeakPolarHBondContact O-CD1 3.47Å; T891-L895 PolarHBondContact O-N 2.86Å
892D61.7Low55.3Low78 Ų78102.6 Ų102.642%0.41750%0.501SS..Hα-helixtrans-66.3-37.7175.4-69.6-18.4000110.9K888 A889 L895 L896K888-D892 WeakPolarHBondContact CE-OD2 3.34Å; K888-D892 WeakPolarHBondContact CG-OD2 3.5Å; K888-D892 VanDerWaalsContact O-CB 3.29Å; K888-D892 WeakPolarHBondContact O-CB 3.44Å; K888-D892 PolarHBondContact O-N 2.86Å; A889-D892 PolarHBondContact O-N 3.18Å; D892-L895 PolarHBondContact O-N 3.37Å; D892-L896 WeakPolarHBondContact O-CB 3.28Å; D892-L896 VanDerWaalsContact O-CD1 3.31Å; D892-L896 WeakPolarHBondContact O-CD1 3.37Å; D892-L896 PolarHBondContact O-N 3.11Å
893E52.8Low53.9Low103 Ų103106 Ų10648%0.48153%0.527SS..Hα-helixtrans-76.3-36.2175.7-173167.8-150.600112.3A889 L895 L896 N897A889-E893 WeakPolarHBondContact O-CB 3.44Å; A889-E893 PolarHBondContact O-N 3.48Å; E893-L895 VanDerWaalsContact C-N 3.33Å; E893-L896 PolarHBondContact O-N 3.49Å; E893-N897 WeakPolarHBondContact O-CB 3.44Å; E893-N897 PolarHBondContact O-N 2.78Å; E893-N897 PolarHBondContact O-ND2 3.41Å; E893-N897 VanDerWaalsContact O-ND2 3.13Å
894I58.4Low52.3Low75 Ų75108.9 Ų108.939%0.38555%0.547SS..Hα-helixtrans-67.9-33.4168.8-74174.3000110.4I890 T891 K898I890-I894 HydrophobicContact CG2-CD1 3.49Å; I890-I894 VanDerWaalsContact CG2-CD1 3.49Å; I890-I894 HydrophobicContact CG2-CG1 4.15Å; I890-I894 WeakPolarHBondContact O-CA 3.31Å; I890-I894 WeakPolarHBondContact O-CB 3.13Å; I890-I894 WeakPolarHBondContact O-CG1 3.12Å; I890-I894 PolarHBondContact O-N 3.18Å; T891-I894 CarbonylContact O-C 3.43Å; T891-I894 PolarHBondContact O-N 3.41Å; I894-K898 HydrophobicContact CG2-CD 3.65Å; I894-K898 VanDerWaalsContact CG2-CE 3.41Å; I894-K898 HydrophobicContact CG2-CG 4.14Å; I894-K898 WeakPolarHBondContact O-CA 3.34Å; I894-K898 WeakPolarHBondContact O-CB 3.37Å; I894-K898 WeakPolarHBondContact O-CG 3.28Å; I894-K898 PolarHBondContact O-N 3.29Å
895L58Low50.5Low98 Ų98109.1 Ų109.151%0.51356%0.561SS.*Hα-helixtrans-71.5-42.7171.4-100115.1000111.2T891 D892 E893 N897 K898 T899T891-L895 HydrophobicContact CG2-CD1 3.67Å; T891-L895 VanDerWaalsContact O-CB 3.28Å; T891-L895 WeakPolarHBondContact O-CB 3.48Å; T891-L895 VanDerWaalsContact O-CD1 3.25Å; T891-L895 WeakPolarHBondContact O-CD1 3.47Å; T891-L895 PolarHBondContact O-N 2.86Å; D892-L895 PolarHBondContact O-N 3.37Å; E893-L895 VanDerWaalsContact C-N 3.33Å; L895-N897 VanDerWaalsContact C-N 3.28Å; L895-N897 PolarHBondContact O-N 2.73Å; L895-K898 PolarHBondContact O-N 3.37Å; L895-T899 WeakPolarHBondContact O-CB 3.32Å; L895-T899 VanDerWaalsContact O-CG2 3.31Å; L895-T899 WeakPolarHBondContact O-CG2 3.22Å; L895-T899 PolarHBondContact O-N 3Å; L895-T899 PolarHBondContact O-OG1 3.47Å
896L51.5Low48.8Very low99 Ų99105.7 Ų105.752%0.51857%0.566SS.*Hα-helixtrans-60.6-37.5171.9-105.779.5000112D892 E893 T899 K900D892-L896 WeakPolarHBondContact O-CB 3.28Å; D892-L896 VanDerWaalsContact O-CD1 3.31Å; D892-L896 WeakPolarHBondContact O-CD1 3.37Å; D892-L896 PolarHBondContact O-N 3.11Å; E893-L896 PolarHBondContact O-N 3.49Å; L896-T899 WeakPolarHBondContact CA-OG1 3.38Å; L896-T899 PolarHBondContact O-OG1 3.04Å; L896-T899 VanDerWaalsContact O-OG1 3.11Å; L896-K900 VanDerWaalsContact O-CB 3.32Å; L896-K900 WeakPolarHBondContact O-CB 3.36Å; L896-K900 WeakPolarHBondContact O-CD 3.39Å; L896-K900 WeakPolarHBondContact O-CG 3.4Å; L896-K900 PolarHBondContact O-N 3.01Å; L896-K900 VanDerWaalsContact O-N 3.09Å
897N47.8Very low47.3Very low73 Ų73111.1 Ų111.139%0.3959%0.593SS.*Hα-helixtrans-83.3-30.4-179.8-69.1-29.8000112.3E893 L895 K900 Q901E893-N897 WeakPolarHBondContact O-CB 3.44Å; E893-N897 PolarHBondContact O-N 2.78Å; E893-N897 PolarHBondContact O-ND2 3.41Å; E893-N897 VanDerWaalsContact O-ND2 3.13Å; L895-N897 VanDerWaalsContact C-N 3.28Å; L895-N897 PolarHBondContact O-N 2.73Å; N897-K900 CarbonylContact O-C 2.9Å; N897-K900 PolarHBondContact O-N 2.89Å; N897-Q901 WeakPolarHBondContact O-CB 3.45Å; N897-Q901 VanDerWaalsContact O-CG 3.29Å; N897-Q901 WeakPolarHBondContact O-CG 3.31Å; N897-Q901 PolarHBondContact O-N 3.41Å
898K44.2Very low45.5Very low137 Ų137111.1 Ų111.160%0.59661%0.613SS**Hα-helixtrans-72.9-36169.9-76.9173.5179.71700112I894 L895 K900 Q901 K902I894-K898 HydrophobicContact CG2-CD 3.65Å; I894-K898 VanDerWaalsContact CG2-CE 3.41Å; I894-K898 HydrophobicContact CG2-CG 4.14Å; I894-K898 WeakPolarHBondContact O-CA 3.34Å; I894-K898 WeakPolarHBondContact O-CB 3.37Å; I894-K898 WeakPolarHBondContact O-CG 3.28Å; I894-K898 PolarHBondContact O-N 3.29Å; L895-K898 PolarHBondContact O-N 3.37Å; K898-K900 VanDerWaalsContact C-N 3.26Å; K898-K900 PolarHBondContact O-N 2.98Å; K898-Q901 CarbonylContact O-C 3.45Å; K898-Q901 PolarHBondContact O-N 3.06Å; K898-Q901 VanDerWaalsContact O-N 3.16Å; K898-K902 WeakPolarHBondContact O-CB 3.5Å; K898-K902 PolarHBondContact O-N 2.61Å
899T40.1Very low43.5Very low97 Ų97109.5 Ų109.560%0.59562%0.618SS**Hα-helixtrans-70-23.4170.750.20000112.3L895 L896L895-T899 WeakPolarHBondContact O-CB 3.32Å; L895-T899 VanDerWaalsContact O-CG2 3.31Å; L895-T899 WeakPolarHBondContact O-CG2 3.22Å; L895-T899 PolarHBondContact O-N 3Å; L895-T899 PolarHBondContact O-OG1 3.47Å; L896-T899 WeakPolarHBondContact CA-OG1 3.38Å; L896-T899 PolarHBondContact O-OG1 3.04Å; L896-T899 VanDerWaalsContact O-OG1 3.11Å
900K39.7Very low42Very low158 Ų158114.8 Ų114.869%0.68764%0.639SS**THydrogen-bonded Turntrans-89.7-1.9168.3-70.5173-179-179.90114.8L896 N897 K898L896-K900 VanDerWaalsContact O-CB 3.32Å; L896-K900 WeakPolarHBondContact O-CB 3.36Å; L896-K900 WeakPolarHBondContact O-CD 3.39Å; L896-K900 WeakPolarHBondContact O-CG 3.4Å; L896-K900 PolarHBondContact O-N 3.01Å; L896-K900 VanDerWaalsContact O-N 3.09Å; N897-K900 CarbonylContact O-C 2.9Å; N897-K900 PolarHBondContact O-N 2.89Å; K898-K900 VanDerWaalsContact C-N 3.26Å; K898-K900 PolarHBondContact O-N 2.98Å
901Q38.8Very low40.9Very low166 Ų166117.7 Ų117.778%0.77666%0.659SS**SBendtrans-132.618.8-179.8-66.9-174.6-7.700113.8N897 K898N897-Q901 WeakPolarHBondContact O-CB 3.45Å; N897-Q901 VanDerWaalsContact O-CG 3.29Å; N897-Q901 WeakPolarHBondContact O-CG 3.31Å; N897-Q901 PolarHBondContact O-N 3.41Å; K898-Q901 CarbonylContact O-C 3.45Å; K898-Q901 PolarHBondContact O-N 3.06Å; K898-Q901 VanDerWaalsContact O-N 3.16Å
902K31.3Very low39.9Very low173 Ų173120.9 Ų120.975%0.75267%0.672SS**  trans-135.775.1167.1-86.6-164.6167.5-167.20111.5K898K898-K902 WeakPolarHBondContact O-CB 3.5Å; K898-K902 PolarHBondContact O-N 2.61Å
903V29.9Very low39.2Very low146 Ų146120.9 Ų120.989%0.88568%0.677SS**  trans-135.479.2146.4-173.80000107.1
904S30.9Very low39.9Very low97 Ų97119.3 Ų119.368%0.67868%0.675SS**  trans-104.1112.9170.754.20000108.8
905S28.1Very low40.6Very low117 Ų117116.6 Ų116.682%0.81866%0.661SS**  trans42.991.515661.20000117.8
906S30Very low41.5Very low117 Ų117114.6 Ų114.682%0.81865%0.654SS**  trans-146.2107.6148.959.80000110
907Q30.8Very low42.7Very low198 Ų198113.5 Ų113.593%0.92565%0.648SS**  trans8.5139.5156.8-68169.6-26.300119.9
908G27Very low44.5Very low84 Ų84112.2 Ų112.287%0.86664%0.638SS**  trans-68.9160.2-169.600000117
909S28.6Very low46.3Very low97 Ų97106.8 Ų106.868%0.67862%0.615SS**  trans-159.2135.1154.557.90000107V911S909-V911 PolarHBondContact O-N 3.06Å
910D31.9Very low48.1Very low164 Ų164105.5 Ų105.588%0.87761%0.61SS**  trans-63.2101.3-176.3-59-72.5000112.2I912D910-I912 PolarHBondContact O-N 3.24Å
911V34.8Very low50Low122 Ų122104.4 Ų104.474%0.73961%0.607SS**  trans-87.5101.3176.3-175.60000109.7S909 C913S909-V911 PolarHBondContact O-N 3.06Å; V911-C913 PolarHBondContact O-N 3.26Å
912I41.9Very low52Low140 Ų14098.4 Ų98.472%0.71858%0.581SS**  trans-48.6117.5175-60.4164.8000109.9D910 T914D910-I912 PolarHBondContact O-N 3.24Å; I912-T914 PolarHBondContact O-N 3.37Å
913C47.1Very low54.5Low78 Ų7890.3 Ų90.353%0.52755%0.546SS..  trans-80.287.4-172.8-173.60000111.6V911V911-C913 PolarHBondContact O-N 3.26Å
914T67Low57.1Low69 Ų6983.4 Ų83.442%0.42350%0.504SS..  trans-58.5149.717756.20000112.8I912 P916 N917 W918I912-T914 PolarHBondContact O-N 3.37Å; T914-P916 VanDerWaalsContact C-CD 3.49Å; T914-N917 WeakPolarHBondContact O-CB 3.39Å; T914-N917 PolarHBondContact O-N 3.45Å; T914-W918 PolarHBondContact O-N 3.02Å; T914-W918 VanDerWaalsContact O-N 3.17Å
915I73.4Confident59.5Low18 Ų1880.9 Ų80.99%0.09249%0.489CS..Hα-helixtrans-57.5-40.9-173.2-68.6163.7000112.8N917 W918 L919 I1010 F1059 E1063 L1067I915-N917 VanDerWaalsContact C-N 3.31Å; I915-N917 PolarHBondContact O-N 3.24Å; I915-W918 PolarHBondContact O-N 3.18Å; I915-L919 HydrophobicContact CG2-CD1 4.05Å; I915-L919 HydrophobicContact CG2-CG 4.5Å; I915-L919 WeakPolarHBondContact O-CB 3.33Å; I915-L919 PolarHBondContact O-N 3.21Å; I915-I1010 HydrophobicContact CD1-CD1 3.86Å; I915-I1010 HydrophobicContact CG1-CD1 3.97Å; I915-F1059 HydrophobicContact CD1-CD2 4.05Å; I915-F1059 HydrophobicContact CD1-CE2 3.96Å; I915-E1063 HydrophobicContact CB-CB 4.16Å; I915-E1063 HydrophobicContact CD1-CB 3.92Å; I915-E1063 PolarHBondContact N-OE2 3.31Å; I915-L1067 HydrophobicContact CD1-CD1 4.14Å; I915-L1067 HydrophobicContact CG1-CD1 4.19Å; I915-L1067 HydrophobicContact CG2-CD1 3.56Å; I915-L1067 HydrophobicContact CG2-CD2 4.42Å; I915-L1067 HydrophobicContact CG2-CG 3.62Å
916P75.9Confident62Low56 Ų5677.4 Ų77.436%0.36447%0.468SS..Hα-helixtrans-60.6-36.1175-24.434.4000113.7T914 L919 S920 E1063 L1066T914-P916 VanDerWaalsContact C-CD 3.49Å; P916-L919 PolarHBondContact O-N 3.13Å; P916-S920 PolarHBondContact O-N 3.34Å; P916-E1063 VanDerWaalsContact CD-OE2 3.31Å; P916-E1063 WeakPolarHBondContact CD-OE2 3.43Å; P916-E1063 HydrophobicContact CG-CG 4.27Å; P916-L1066 HydrophobicContact CB-CD1 4.47Å; P916-L1066 HydrophobicContact CG-CD1 3.93Å
917N78.4Confident64.4Low77 Ų7775.2 Ų75.241%0.41244%0.443SS..Hα-helixtrans-70.5-41.3179.4-167.818.4000111T914 I915 S920 H921T914-N917 WeakPolarHBondContact O-CB 3.39Å; T914-N917 PolarHBondContact O-N 3.45Å; I915-N917 VanDerWaalsContact C-N 3.31Å; I915-N917 PolarHBondContact O-N 3.24Å; N917-S920 WeakPolarHBondContact O-CB 3.29Å; N917-S920 PolarHBondContact O-N 3.17Å; N917-S920 PolarHBondContact O-OG 3.46Å; N917-H921 PolarHBondContact O-ND1 2.96Å
918W84.6Confident66.8Low45 Ų4572 Ų7217%0.1743%0.427CS..Hα-helixtrans-62.3-43.6173.1-172.392.9000112.1T914 I915 S920 H921 N922 I1002 I1003 K1006 L1067T914-W918 PolarHBondContact O-N 3.02Å; T914-W918 VanDerWaalsContact O-N 3.17Å; I915-W918 PolarHBondContact O-N 3.18Å; W918-S920 VanDerWaalsContact C-N 3.29Å; W918-S920 PolarHBondContact O-N 3.16Å; W918-H921 PolarHBondContact O-N 3.47Å; W918-N922 HydrophobicContact CD2-CB 3.97Å; W918-N922 HydrophobicContact CE3-CB 3.82Å; W918-N922 HydrophobicContact CH2-CB 3.56Å; W918-N922 HydrophobicContact CZ2-CB 3.69Å; W918-N922 HydrophobicContact CZ3-CB 3.62Å; W918-N922 PolarHBondContact O-N 3.19Å; W918-I1002 HydrophobicContact CH2-CG2 3.95Å; W918-I1002 HydrophobicContact CZ2-CG2 3.99Å; W918-I1003 HydrophobicContact CH2-CG1 4.41Å; W918-I1003 HydrophobicContact CZ3-CG1 4.33Å; W918-K1006 HydrophobicContact CD2-CG 4.03Å; W918-K1006 HydrophobicContact CE3-CG 4.25Å; W918-K1006 HydrophobicContact CH2-CB 3.61Å; W918-K1006 HydrophobicContact CH2-CG 4.13Å; W918-K1006 HydrophobicContact CZ2-CB 3.6Å; W918-K1006 HydrophobicContact CZ2-CG 3.9Å; W918-K1006 HydrophobicContact CZ3-CB 4.13Å; W918-K1006 HydrophobicContact CZ3-CG 4.3Å; W918-L1067 HydrophobicContact CE3-CD2 4.23Å; W918-L1067 HydrophobicContact CZ3-CD2 3.95Å
919L81.3Confident69.5Low23 Ų2369 Ų6912%0.1239%0.391CS..Hα-helixtrans-63.9-29.7176.5-82.4173.2000113.4I915 P916 H921 N922 G923 L1066 L1067 E1070I915-L919 HydrophobicContact CG2-CD1 4.05Å; I915-L919 HydrophobicContact CG2-CG 4.5Å; I915-L919 WeakPolarHBondContact O-CB 3.33Å; I915-L919 PolarHBondContact O-N 3.21Å; P916-L919 PolarHBondContact O-N 3.13Å; L919-H921 PolarHBondContact O-N 2.83Å; L919-N922 PolarHBondContact O-N 3.45Å; L919-G923 WeakPolarHBondContact O-CA 3.49Å; L919-G923 PolarHBondContact O-N 2.88Å; L919-L1066 HydrophobicContact CD1-CB 3.58Å; L919-L1067 HydrophobicContact CD1-CD2 4.39Å; L919-L1067 HydrophobicContact CD1-CG 4.35Å; L919-L1067 HydrophobicContact CD2-CD2 3.95Å; L919-L1067 HydrophobicContact CG-CD2 4.17Å; L919-E1070 HydrophobicContact CD2-CG 4.29Å
920S78.8Confident72.1Confident70 Ų7068.8 Ų68.849%0.4938%0.375SS..Hα-helixtrans-62.6-22.8175.879.40000113.6P916 N917 W918 A926P916-S920 PolarHBondContact O-N 3.34Å; N917-S920 WeakPolarHBondContact O-CB 3.29Å; N917-S920 PolarHBondContact O-N 3.17Å; N917-S920 PolarHBondContact O-OG 3.46Å; W918-S920 VanDerWaalsContact C-N 3.29Å; W918-S920 PolarHBondContact O-N 3.16Å; S920-A926 WeakPolarHBondContact O-CB 3.36Å
921H79.2Confident74.5Confident135 Ų13561.8 Ų61.863%0.62534%0.337SS*.Hα-helixtrans-101.9-35.9175.4-64.183.2000112.6N917 W918 L919N917-H921 PolarHBondContact O-ND1 2.96Å; W918-H921 PolarHBondContact O-N 3.47Å; L919-H921 PolarHBondContact O-N 2.83Å
922N80.9Confident76.5Confident41 Ų4159.3 Ų59.322%0.21932%0.322CS..Hα-helixtrans-108-14.3-168.6-81.8-64.8000116.8W918 L919 K927W918-N922 HydrophobicContact CD2-CB 3.97Å; W918-N922 HydrophobicContact CE3-CB 3.82Å; W918-N922 HydrophobicContact CH2-CB 3.56Å; W918-N922 HydrophobicContact CZ2-CB 3.69Å; W918-N922 HydrophobicContact CZ3-CB 3.62Å; W918-N922 PolarHBondContact O-N 3.19Å; L919-N922 PolarHBondContact O-N 3.45Å; N922-K927 WeakPolarHBondContact O-CE 3.41Å; N922-K927 PolarHBondContact O-NZ 2.88Å; N922-K927 PolarHBondContact OD1-NZ 3.19Å
923G83.5Confident78.4Confident2 Ų255.1 Ų55.12%0.02130%0.301CS..SBendtrans-68.5166.5-178.300000114.3L919 A925 A926 K927L919-G923 WeakPolarHBondContact O-CA 3.49Å; L919-G923 PolarHBondContact O-N 2.88Å; G923-A925 PolarHBondContact O-N 3.38Å; G923-A926 PolarHBondContact O-N 3.43Å; G923-A926 VanDerWaalsContact O-N 3.13Å; G923-K927 PolarHBondContact O-N 2.95Å
924L84.1Confident80Confident1 Ų152.6 Ų52.61%0.00528%0.283CS..THydrogen-bonded Turntrans-61-32-179.5-58.6176.5000111.8K928 L929 R930 L996 A999 I1003 E1070 Y1077L924-K928 PolarHBondContact O-N 2.93Å; L924-K928 VanDerWaalsContact O-N 3.17Å; L924-L929 HydrophobicContact CB-CB 4.49Å; L924-L929 HydrophobicContact CD2-CB 4.12Å; L924-L929 PolarHBondContact O-N 3.43Å; L924-R930 HydrophobicContact CB-CG 4.42Å; L924-L996 HydrophobicContact CD2-CD1 3.66Å; L924-A999 HydrophobicContact CD2-CB 4.06Å; L924-I1003 HydrophobicContact CD2-CD1 4.28Å; L924-I1003 HydrophobicContact CG-CD1 4.28Å; L924-E1070 WeakPolarHBondContact CA-OE2 3.08Å; L924-E1070 WeakPolarHBondContact CB-OE2 3.48Å; L924-E1070 VanDerWaalsContact CD1-O 3.3Å; L924-E1070 WeakPolarHBondContact CD1-O 3.47Å; L924-E1070 WeakPolarHBondContact CG-OE2 3.47Å; L924-E1070 PolarHBondContact N-OE2 3.42Å; L924-Y1077 HydrophobicContact CD1-CD2 4.19Å; L924-Y1077 HydrophobicContact CD1-CE2 4.13Å
925A81.8Confident80.6Confident44 Ų4449.7 Ų49.736%0.36427%0.265SS..THydrogen-bonded Turntrans-63.6-49.2173.700000112.4G923 K927 K928 R930G923-A925 PolarHBondContact O-N 3.38Å; A925-K927 VanDerWaalsContact C-N 3.35Å; A925-K928 PolarHBondContact O-N 3.25Å; A925-R930 VanDerWaalsContact CB-CZ 3.42Å
926A80.5Confident80.6Confident45 Ų4555.5 Ų55.537%0.37229%0.289SS..THydrogen-bonded Turntrans-64.6-41.7-17800000111.2S920 G923 K928S920-A926 WeakPolarHBondContact O-CB 3.36Å; G923-A926 PolarHBondContact O-N 3.43Å; G923-A926 VanDerWaalsContact O-N 3.13Å; A926-K928 VanDerWaalsContact C-N 3.27Å; A926-K928 PolarHBondContact O-N 3.34Å
927K81.8Confident80.5Confident70 Ų7057.4 Ų57.430%0.30430%0.304SS..THydrogen-bonded Turntrans-79.60.2177.9-66.7178.9177.1156.90114.2N922 G923 A925 L929 A999N922-K927 WeakPolarHBondContact O-CE 3.41Å; N922-K927 PolarHBondContact O-NZ 2.88Å; N922-K927 PolarHBondContact OD1-NZ 3.19Å; G923-K927 PolarHBondContact O-N 2.95Å; A925-K927 VanDerWaalsContact C-N 3.35Å; K927-L929 HydrophobicContact CB-CD1 3.77Å; K927-L929 HydrophobicContact CB-CG 3.97Å; K927-L929 HydrophobicContact CD-CD1 4.48Å; K927-L929 PolarHBondContact O-N 3.01Å; K927-A999 HydrophobicContact CD-CB 4.29Å
928K81.1Confident80.3Confident132 Ų13257.8 Ų57.857%0.57430%0.302SS*.THydrogen-bonded Turntrans55.534.5-176.3-56176.4-178.6171.70113.6L924 A925 A926 D933L924-K928 PolarHBondContact O-N 2.93Å; L924-K928 VanDerWaalsContact O-N 3.17Å; A925-K928 PolarHBondContact O-N 3.25Å; A926-K928 VanDerWaalsContact C-N 3.27Å; A926-K928 PolarHBondContact O-N 3.34Å; K928-D933 HydrophobicContact CB-CB 4.29Å
929L83.2Confident79.9Confident21 Ų2156.6 Ų56.611%0.1130%0.3CS..  trans-98.820-178.5-67.4172.3000112.9L924 K927 Y992 L996 A999L924-L929 HydrophobicContact CB-CB 4.49Å; L924-L929 HydrophobicContact CD2-CB 4.12Å; L924-L929 PolarHBondContact O-N 3.43Å; K927-L929 HydrophobicContact CB-CD1 3.77Å; K927-L929 HydrophobicContact CB-CG 3.97Å; K927-L929 HydrophobicContact CD-CD1 4.48Å; K927-L929 PolarHBondContact O-N 3.01Å; L929-Y992 PolarHBondContact O-OH 3.17Å; L929-L996 HydrophobicContact CB-CD1 4.4Å; L929-A999 HydrophobicContact CD1-CB 3.34Å
930R83.3Confident79.7Confident92 Ų9258.5 Ų58.535%0.34731%0.312SS..SBendtrans-80.4144.2170.1-61.1178.4161.6178.7-6.5109.3L924 A925 T932 D933 L934 E1070 Y1077L924-R930 HydrophobicContact CB-CG 4.42Å; A925-R930 VanDerWaalsContact CB-CZ 3.42Å; R930-T932 PolarHBondContact O-N 2.98Å; R930-D933 WeakPolarHBondContact CB-OD2 3.3Å; R930-D933 WeakPolarHBondContact O-CB 3.47Å; R930-D933 PolarHBondContact O-N 3.33Å; R930-L934 PolarHBondContact O-N 3.4Å; R930-E1070 IonicContact NH2-OE1 3.5Å; R930-Y1077 HydrophobicContact CB-CE2 3.98Å; R930-Y1077 HydrophobicContact CG-CE2 3.95Å
931L81.2Confident79.6Confident16 Ų1661 Ų618%0.08431%0.311CS..Hα-helixtrans-56.6-30.9178.1-175.266.2000112.8L934 L935 Y992 Y1077 E1080 L1084L931-L934 HydrophobicContact CD1-CD2 4.11Å; L931-L934 PolarHBondContact O-N 3.33Å; L931-L935 HydrophobicContact CD1-CD1 4.49Å; L931-L935 HydrophobicContact CD1-CG 4.42Å; L931-L935 HydrophobicContact CD2-CD1 4.45Å; L931-L935 HydrophobicContact CG-CD1 4Å; L931-L935 HydrophobicContact CG-CG 4.35Å; L931-L935 WeakPolarHBondContact O-CB 3.33Å; L931-L935 VanDerWaalsContact O-CG 3.3Å; L931-L935 WeakPolarHBondContact O-CG 3.42Å; L931-L935 PolarHBondContact O-N 3.32Å; L931-Y992 PolarHBondContact N-OH 3.38Å; L931-Y1077 HydrophobicContact CB-CD1 3.57Å; L931-Y1077 HydrophobicContact CB-CE1 4.02Å; L931-Y1077 HydrophobicContact CB-CG 4.11Å; L931-E1080 HydrophobicContact CD2-CB 3.66Å; L931-E1080 HydrophobicContact CD2-CG 4.43Å; L931-E1080 WeakPolarHBondContact CD2-OE2 3.48Å; L931-L1084 HydrophobicContact CD1-CD1 4.18Å; L931-L1084 HydrophobicContact CD2-CD1 4.5Å
932T78.1Confident79.4Confident70 Ų7056 Ų5643%0.42929%0.289SS..Hα-helixtrans-68.9-30.6175.545.80000113.6R930 K936R930-T932 PolarHBondContact O-N 2.98Å; T932-K936 VanDerWaalsContact O-CB 3.22Å; T932-K936 WeakPolarHBondContact O-CB 3.48Å; T932-K936 PolarHBondContact O-N 2.96Å
933D80.6Confident78.8Confident52 Ų5261.6 Ų61.628%0.27831%0.307SS..Hα-helixtrans-74.5-39.7175.2-67.2-47.1000111.1K928 R930K928-D933 HydrophobicContact CB-CB 4.29Å; R930-D933 WeakPolarHBondContact CB-OD2 3.3Å; R930-D933 WeakPolarHBondContact O-CB 3.47Å; R930-D933 PolarHBondContact O-N 3.33Å
934L81Confident78.4Confident26 Ų2665.1 Ų65.114%0.13633%0.329CS..Hα-helixtrans-58-57.2171.1-177.670.3000110.7R930 L931 K936 S937 F938 I987 Y992R930-L934 PolarHBondContact O-N 3.4Å; L931-L934 HydrophobicContact CD1-CD2 4.11Å; L931-L934 PolarHBondContact O-N 3.33Å; L934-K936 VanDerWaalsContact C-N 3.3Å; L934-K936 PolarHBondContact O-N 2.97Å; L934-S937 PolarHBondContact O-N 3.21Å; L934-F938 HydrophobicContact CD1-CE2 4.41Å; L934-F938 WeakPolarHBondContact O-CD2 3.37Å; L934-I987 HydrophobicContact CD1-CG2 4.15Å; L934-I987 HydrophobicContact CD2-CG2 3.93Å; L934-I987 HydrophobicContact CG-CG2 4.17Å; L934-Y992 HydrophobicContact CB-CD2 4.27Å; L934-Y992 HydrophobicContact CB-CE2 4.03Å; L934-Y992 HydrophobicContact CD1-CD2 3.83Å; L934-Y992 HydrophobicContact CD1-CE2 4.45Å; L934-Y992 HydrophobicContact CD1-CG 4.17Å; L934-Y992 HydrophobicContact CD2-CD1 3.88Å; L934-Y992 HydrophobicContact CD2-CD2 3.8Å; L934-Y992 HydrophobicContact CD2-CE1 4.06Å; L934-Y992 HydrophobicContact CD2-CE2 3.97Å; L934-Y992 HydrophobicContact CD2-CG 3.72Å; L934-Y992 HydrophobicContact CG-CD2 4.18Å; L934-Y992 HydrophobicContact CG-CE2 4.37Å; L934-Y992 HydrophobicContact CG-CG 4.5Å
935L78.8Confident77.4Confident8 Ų869.2 Ų69.24%0.04236%0.355CS..Hα-helixtrans-63.3-32.1-177-70.7175.3000113L931 S937 F938 T939 Y967 F982 I987 L1084L931-L935 HydrophobicContact CD1-CD1 4.49Å; L931-L935 HydrophobicContact CD1-CG 4.42Å; L931-L935 HydrophobicContact CD2-CD1 4.45Å; L931-L935 HydrophobicContact CG-CD1 4Å; L931-L935 HydrophobicContact CG-CG 4.35Å; L931-L935 WeakPolarHBondContact O-CB 3.33Å; L931-L935 VanDerWaalsContact O-CG 3.3Å; L931-L935 WeakPolarHBondContact O-CG 3.42Å; L931-L935 PolarHBondContact O-N 3.32Å; L935-S937 PolarHBondContact O-N 2.76Å; L935-S937 VanDerWaalsContact O-N 3.08Å; L935-F938 PolarHBondContact O-N 2.94Å; L935-F938 VanDerWaalsContact O-N 3.07Å; L935-T939 HydrophobicContact CB-CG2 4.15Å; L935-T939 VanDerWaalsContact O-CB 3.29Å; L935-T939 WeakPolarHBondContact O-CB 3.32Å; L935-T939 WeakPolarHBondContact O-CG2 3.5Å; L935-T939 PolarHBondContact O-N 2.86Å; L935-T939 PolarHBondContact O-OG1 3.28Å; L935-Y967 HydrophobicContact CB-CE1 4.42Å; L935-Y967 HydrophobicContact CD1-CD2 4.31Å; L935-Y967 HydrophobicContact CD1-CE2 4.37Å; L935-Y967 HydrophobicContact CD1-CG 4.37Å; L935-F982 HydrophobicContact CD2-CD1 4.27Å; L935-F982 HydrophobicContact CD2-CD2 4.07Å; L935-F982 HydrophobicContact CD2-CE1 3.98Å; L935-F982 HydrophobicContact CD2-CE2 3.76Å; L935-F982 HydrophobicContact CD2-CG 4.31Å; L935-F982 HydrophobicContact CD2-CZ 3.7Å; L935-I987 HydrophobicContact CD2-CD1 3.88Å; L935-L1084 HydrophobicContact CD2-CD1 4.23Å
936K75.2Confident76.8Confident139 Ų13972.9 Ų72.960%0.60436%0.36SS*.Hα-helixtrans-57-28.1-179.2-178.5179.3176.1-171.50113.4T932 L934T932-K936 VanDerWaalsContact O-CB 3.22Å; T932-K936 WeakPolarHBondContact O-CB 3.48Å; T932-K936 PolarHBondContact O-N 2.96Å; L934-K936 VanDerWaalsContact C-N 3.3Å; L934-K936 PolarHBondContact O-N 2.97Å
937S72.9Confident76Confident97 Ų9773.5 Ų73.568%0.67836%0.356SS*.Hα-helixtrans-82.1-22.9-179.6-53.90000113.9L934 L935L934-S937 PolarHBondContact O-N 3.21Å; L935-S937 PolarHBondContact O-N 2.76Å; L935-S937 VanDerWaalsContact O-N 3.08Å
938F73.6Confident74.5Confident84 Ų8474.9 Ų74.937%0.36837%0.373SS..SBendtrans-114.912.9-173.3-60.6-79.4000113.6L934 L935 F982 A986 I987L934-F938 HydrophobicContact CD1-CE2 4.41Å; L934-F938 WeakPolarHBondContact O-CD2 3.37Å; L935-F938 PolarHBondContact O-N 2.94Å; L935-F938 VanDerWaalsContact O-N 3.07Å; F938-F982 WeakPolarHBondContact O-CB 3.26Å; F938-A986 HydrophobicContact CD1-CB 4.37Å; F938-A986 VanDerWaalsContact CE1-O 3.3Å; F938-A986 WeakPolarHBondContact CE1-O 3.27Å; F938-I987 HydrophobicContact CB-CD1 4.49Å; F938-I987 HydrophobicContact CB-CG1 4.18Å; F938-I987 HydrophobicContact CD2-CG1 3.97Å; F938-I987 HydrophobicContact CG-CG1 3.98Å
939T76Confident73.1Confident20 Ų2073.3 Ų73.312%0.12338%0.384CS..  trans-117.3129.3-169.450.80000114.4L935 Y967 R980 L981 F982L935-T939 HydrophobicContact CB-CG2 4.15Å; L935-T939 VanDerWaalsContact O-CB 3.29Å; L935-T939 WeakPolarHBondContact O-CB 3.32Å; L935-T939 WeakPolarHBondContact O-CG2 3.5Å; L935-T939 PolarHBondContact O-N 2.86Å; L935-T939 PolarHBondContact O-OG1 3.28Å; T939-Y967 HydrophobicContact CG2-CD1 4.08Å; T939-Y967 HydrophobicContact CG2-CE1 3.43Å; T939-Y967 VanDerWaalsContact CG2-CE1 3.43Å; T939-R980 PolarHBondContact OG1-NH1 3.41Å; T939-L981 CarbonylContact C-O 3.53Å; T939-L981 WeakPolarHBondContact CA-O 3.49Å; T939-F982 HydrophobicContact CG2-CB 3.67Å; T939-F982 HydrophobicContact CG2-CD1 3.91Å; T939-F982 HydrophobicContact CG2-CG 4.03Å
940V77.3Confident71.4Confident64 Ų6475.6 Ų75.639%0.38840%0.396SS..EExtended strand (participates in β ladder)trans-94.8129.1173.6-178.70000109.3L942 L959 L963 R980 L981V940-L942 PolarHBondContact O-N 3.08Å; V940-L959 HydrophobicContact CG1-CD1 4.04Å; V940-L959 HydrophobicContact CG1-CD2 4.28Å; V940-L963 HydrophobicContact CB-CD1 3.66Å; V940-L963 HydrophobicContact CG2-CD1 3.55Å; V940-R980 CarbonylContact O-C 3.56Å; V940-R980 WeakPolarHBondContact O-CA 3.44Å; V940-L981 PolarHBondContact N-O 3.44Å; V940-L981 PolarHBondContact O-N 2.97Å
941R77.1Confident69.5Low123 Ų12378.9 Ų78.946%0.46441%0.408SS..EExtended strand (participates in β ladder)trans-75.6115.9176.3179.3178169.9176.7-1.6109.9R943 E978 R980R941-R943 HydrophobicContact CG-CG 4.19Å; R941-R943 PolarHBondContact O-N 3.14Å; R941-E978 HydrophobicContact CG-CG 4.36Å; R941-R980 HydrophobicContact CB-CG 4.46Å
942L75.4Confident68.5Low30 Ų3084.7 Ų84.716%0.15744%0.435CS..  trans-73.2119.4172.3-167.666.3000108.6V940 V955 L959 I979 L981V940-L942 PolarHBondContact O-N 3.08Å; L942-V955 HydrophobicContact CD1-CB 4.19Å; L942-V955 HydrophobicContact CD1-CG1 4.22Å; L942-V955 HydrophobicContact CD2-CB 4.33Å; L942-V955 HydrophobicContact CD2-CG1 3.98Å; L942-V955 HydrophobicContact CG-CB 4.4Å; L942-V955 HydrophobicContact CG-CG1 3.94Å; L942-L959 HydrophobicContact CD1-CD1 4.3Å; L942-I979 HydrophobicContact CB-CG2 4.3Å; L942-I979 HydrophobicContact CD2-CG2 4.35Å; L942-I979 PolarHBondContact N-O 2.94Å; L942-L981 HydrophobicContact CB-CD1 4.44Å; L942-L981 HydrophobicContact CB-CG 4.35Å; L942-L981 HydrophobicContact CD1-CD1 3.96Å; L942-L981 HydrophobicContact CD2-CD1 4.37Å; L942-L981 HydrophobicContact CG-CD1 4.49Å
943R69Low68.1Low157 Ų15787.1 Ų87.159%0.59244%0.441SS*.  trans-115.2122.6172.3-69.9-175.1-179.4164-0.5108.9R941 T945R941-R943 HydrophobicContact CG-CG 4.19Å; R941-R943 PolarHBondContact O-N 3.14Å; R943-T945 PolarHBondContact O-N 3.45Å
944P73.9Confident67.5Low76 Ų7686.9 Ų86.949%0.49444%0.442SS..PPolyproline II helixtrans-63.7116.6167.624.3-30.2000109H953 V955P944-H953 HydrophobicContact CB-CB 3.81Å; P944-V955 HydrophobicContact CB-CG1 4.1Å
945T64.2Low67.1Low88 Ų8887.7 Ų87.754%0.5445%0.447SS..EExtended strand (participates in β ladder)trans-91.8117.7176.5-56.90000107.6R943 I947 V954R943-T945 PolarHBondContact O-N 3.45Å; T945-I947 PolarHBondContact O-N 3.5Å; T945-V954 PolarHBondContact N-O 3.16Å; T945-V954 PolarHBondContact O-N 3.09Å
946Y69.3Low66.7Low120 Ų12089.7 Ų89.747%0.47146%0.462SS..EExtended strand (participates in β ladder)trans-68.2120.7172.4-172.3-101000108.6P948 R951 H953Y946-P948 HydrophobicContact CD1-CG 4.21Å; Y946-P948 HydrophobicContact CE1-CB 4.4Å; Y946-P948 HydrophobicContact CE1-CG 4.33Å; Y946-P948 WeakPolarHBondContact O-CD 3.14Å; Y946-R951 VanDerWaalsContact CE2-O 3.29Å; Y946-R951 WeakPolarHBondContact CE2-O 3.32Å; Y946-H953 AromaticContact CD2-NE2 3.98Å
947I62.3Low66.5Low58 Ų5886.8 Ų86.830%0.29745%0.45SS..EExtended strand (participates in β ladder)trans-103.4106.5176.4-61.1-168.9000107.5T945 A949 L950 R951 H952 V954T945-I947 PolarHBondContact O-N 3.5Å; I947-A949 HydrophobicContact CG2-CB 4.41Å; I947-A949 PolarHBondContact O-N 2.84Å; I947-A949 VanDerWaalsContact O-N 3.15Å; I947-L950 HydrophobicContact CB-CB 4.28Å; I947-L950 HydrophobicContact CB-CD1 4.31Å; I947-L950 HydrophobicContact CB-CG 4.45Å; I947-L950 HydrophobicContact CD1-CD1 4.3Å; I947-L950 HydrophobicContact CG2-CB 4.19Å; I947-L950 HydrophobicContact CG2-CD1 4.03Å; I947-L950 HydrophobicContact CG2-CG 3.95Å; I947-L950 PolarHBondContact O-N 3.41Å; I947-R951 PolarHBondContact O-N 3.26Å; I947-H952 PolarHBondContact N-O 3.42Å; I947-H952 VanDerWaalsContact N-O 3.07Å; I947-V954 HydrophobicContact CB-CG2 4.35Å; I947-V954 HydrophobicContact CD1-CB 3.71Å; I947-V954 HydrophobicContact CD1-CG1 4.16Å; I947-V954 HydrophobicContact CD1-CG2 3.71Å; I947-V954 HydrophobicContact CG1-CB 4.06Å; I947-V954 HydrophobicContact CG1-CG2 3.99Å
948P51.7Low66.3Low100 Ų10086.1 Ų86.165%0.64944%0.442SS*.G310 helixtrans-57.7-34.2-173.2-27.135.6000113.9Y946 L950 R951Y946-P948 HydrophobicContact CD1-CG 4.21Å; Y946-P948 HydrophobicContact CE1-CB 4.4Å; Y946-P948 HydrophobicContact CE1-CG 4.33Å; Y946-P948 WeakPolarHBondContact O-CD 3.14Å; P948-L950 VanDerWaalsContact C-N 3.28Å; P948-L950 PolarHBondContact O-N 2.74Å; P948-R951 PolarHBondContact O-N 2.82Å
949A50.7Low66Low98 Ų9884.5 Ų84.581%0.8144%0.437SS*.G310 helixtrans-68.4-22177.500000114.2I947I947-A949 HydrophobicContact CG2-CB 4.41Å; I947-A949 PolarHBondContact O-N 2.84Å; I947-A949 VanDerWaalsContact O-N 3.15Å
950L47.3Very low65.6Low69 Ų6987.7 Ų87.736%0.36145%0.449SS..G310 helixtrans-107.7-6.7179.6-63.6177000112.8L71 I947 P948 H952 V954L71-L950 HydrophobicContact CD1-CD2 3.56Å; I947-L950 HydrophobicContact CB-CB 4.28Å; I947-L950 HydrophobicContact CB-CD1 4.31Å; I947-L950 HydrophobicContact CB-CG 4.45Å; I947-L950 HydrophobicContact CD1-CD1 4.3Å; I947-L950 HydrophobicContact CG2-CB 4.19Å; I947-L950 HydrophobicContact CG2-CD1 4.03Å; I947-L950 HydrophobicContact CG2-CG 3.95Å; I947-L950 PolarHBondContact O-N 3.41Å; P948-L950 VanDerWaalsContact C-N 3.28Å; P948-L950 PolarHBondContact O-N 2.74Å; L950-H952 PolarHBondContact O-CD2 2.87Å; L950-H952 PolarHBondContact O-N 2.94Å; L950-V954 HydrophobicContact CD1-CG2 3.95Å
951R44.5Very low65Low161 Ų16191.9 Ų91.961%0.60847%0.465SS*.THydrogen-bonded Turntrans517.1-170.9-65.8-177.5173.7175.5-3116.2Y946 I947 P948Y946-R951 VanDerWaalsContact CE2-O 3.29Å; Y946-R951 WeakPolarHBondContact CE2-O 3.32Å; I947-R951 PolarHBondContact O-N 3.26Å; P948-R951 PolarHBondContact O-N 2.82Å
952H59.8Low64.6Low139 Ų13989.7 Ų89.764%0.64447%0.465SS*.EExtended strand (participates in β ladder)trans-109.2152.4-179.1-76.6-67.1000112.9I947 L950 V954I947-H952 PolarHBondContact N-O 3.42Å; I947-H952 VanDerWaalsContact N-O 3.07Å; L950-H952 PolarHBondContact O-CD2 2.87Å; L950-H952 PolarHBondContact O-N 2.94Å; H952-V954 PolarHBondContact O-N 3.4Å
953H70.3Confident64.6Low120 Ų12089.5 Ų89.556%0.55646%0.464SS*.EExtended strand (participates in β ladder)trans-76.694.7165.3-86.8-68000110.2P944 Y946P944-H953 HydrophobicContact CB-CB 3.81Å; Y946-H953 AromaticContact CD2-NE2 3.98Å
954V67.6Low64.5Low48 Ų4886.2 Ų86.229%0.29146%0.463SS..EExtended strand (participates in β ladder)trans-82.3127.1177.6-178.30000109.8T945 I947 L950 H952T945-V954 PolarHBondContact N-O 3.16Å; T945-V954 PolarHBondContact O-N 3.09Å; I947-V954 HydrophobicContact CB-CG2 4.35Å; I947-V954 HydrophobicContact CD1-CB 3.71Å; I947-V954 HydrophobicContact CD1-CG1 4.16Å; I947-V954 HydrophobicContact CD1-CG2 3.71Å; I947-V954 HydrophobicContact CG1-CB 4.06Å; I947-V954 HydrophobicContact CG1-CG2 3.99Å; L950-V954 HydrophobicContact CD1-CG2 3.95Å; H952-V954 PolarHBondContact O-N 3.4Å
955V71.2Confident64.6Low43 Ų4384.1 Ų84.126%0.26145%0.447SS..  trans-98.8144.4167.4-81.40000109.1L942 P944 E957L942-V955 HydrophobicContact CD1-CB 4.19Å; L942-V955 HydrophobicContact CD1-CG1 4.22Å; L942-V955 HydrophobicContact CD2-CB 4.33Å; L942-V955 HydrophobicContact CD2-CG1 3.98Å; L942-V955 HydrophobicContact CG-CB 4.4Å; L942-V955 HydrophobicContact CG-CG1 3.94Å; P944-V955 HydrophobicContact CB-CG1 4.1Å; V955-E957 PolarHBondContact O-N 2.96Å; V955-E957 VanDerWaalsContact O-N 3.12Å
956S71.6Confident65.1Low49 Ų4982.8 Ų82.834%0.34345%0.445SS..  trans-67112.5-179178.90000111V958 L959 K960S956-V958 VanDerWaalsContact C-N 3.28Å; S956-L959 PolarHBondContact O-N 2.92Å; S956-L959 PolarHBondContact OG-N 3.46Å; S956-K960 PolarHBondContact O-N 3.43Å
957E70.3Confident65.5Low78 Ų7878.9 Ų78.936%0.36443%0.43SS..Hα-helixtrans-66.7-34.2174.9-154.459.7-149.300111.5V955 L959 K960 Q961V955-E957 PolarHBondContact O-N 2.96Å; V955-E957 VanDerWaalsContact O-N 3.12Å; E957-L959 VanDerWaalsContact C-N 3.29Å; E957-L959 PolarHBondContact O-N 2.88Å; E957-K960 WeakPolarHBondContact O-CB 3.34Å; E957-K960 PolarHBondContact O-N 2.95Å; E957-K960 WeakPolarHBondContact OE1-CD 3.3Å; E957-K960 IonicContact OE1-NZ 2.9Å; E957-K960 PolarHBondContact OE1-NZ 2.86Å; E957-K960 VanDerWaalsContact OE2-CE 3.26Å; E957-K960 WeakPolarHBondContact OE2-CE 3.46Å; E957-K960 IonicContact OE2-NZ 2.95Å; E957-K960 PolarHBondContact OE2-NZ 3.31Å; E957-Q961 WeakPolarHBondContact O-CG 3.27Å; E957-Q961 PolarHBondContact O-N 3.5Å
958V68.6Low66Low84 Ų8479.9 Ų79.951%0.50944%0.438SS..Hα-helixtrans-55.3-44.9172.4-176.60000110.6S956 K960 Q961 T962S956-V958 VanDerWaalsContact C-N 3.28Å; V958-K960 PolarHBondContact O-N 3.37Å; V958-Q961 PolarHBondContact O-N 3.06Å; V958-T962 HydrophobicContact CG1-CG2 4.4Å; V958-T962 WeakPolarHBondContact O-CG2 3.41Å; V958-T962 PolarHBondContact O-N 2.82Å; V958-T962 PolarHBondContact O-OG1 3.46Å
959L68.3Low66.8Low49 Ų4977.2 Ų77.226%0.25742%0.419SS..Hα-helixtrans-63.8-37.6176.5-70-179.5000112.6V940 L942 S956 E957 T962 L963 L981V940-L959 HydrophobicContact CG1-CD1 4.04Å; V940-L959 HydrophobicContact CG1-CD2 4.28Å; L942-L959 HydrophobicContact CD1-CD1 4.3Å; S956-L959 PolarHBondContact O-N 2.92Å; S956-L959 PolarHBondContact OG-N 3.46Å; E957-L959 VanDerWaalsContact C-N 3.29Å; E957-L959 PolarHBondContact O-N 2.88Å; L959-T962 PolarHBondContact O-N 3.07Å; L959-T962 PolarHBondContact O-OG1 2.93Å; L959-L963 HydrophobicContact CD2-CD1 4.18Å; L959-L963 VanDerWaalsContact O-CB 3.29Å; L959-L963 WeakPolarHBondContact O-CB 3.4Å; L959-L963 PolarHBondContact O-N 3.29Å; L959-L981 HydrophobicContact CB-CD1 3.92Å
960K66.3Low67.4Low87 Ų8781.3 Ų81.338%0.37842%0.418SS..Hα-helixtrans-65.5-39.6175.6-59-172.5-157.4153.50112.1S956 E957 V958S956-K960 PolarHBondContact O-N 3.43Å; E957-K960 WeakPolarHBondContact O-CB 3.34Å; E957-K960 PolarHBondContact O-N 2.95Å; E957-K960 WeakPolarHBondContact OE1-CD 3.3Å; E957-K960 IonicContact OE1-NZ 2.9Å; E957-K960 PolarHBondContact OE1-NZ 2.86Å; E957-K960 VanDerWaalsContact OE2-CE 3.26Å; E957-K960 WeakPolarHBondContact OE2-CE 3.46Å; E957-K960 IonicContact OE2-NZ 2.95Å; E957-K960 PolarHBondContact OE2-NZ 3.31Å; V958-K960 PolarHBondContact O-N 3.37Å
961Q66.4Low67.9Low153 Ų15383 Ų8372%0.71542%0.423SS*.Hα-helixtrans-69.5-36.7178.2-69.5176.2-500112.4E957 V958E957-Q961 WeakPolarHBondContact O-CG 3.27Å; E957-Q961 PolarHBondContact O-N 3.5Å; V958-Q961 PolarHBondContact O-N 3.06Å
962T68.1Low68.3Low76 Ų7685.3 Ų85.347%0.46644%0.437SS..Hα-helixtrans-86.5-23.4-179.357.10000114.9V958 L959V958-T962 HydrophobicContact CG1-CG2 4.4Å; V958-T962 WeakPolarHBondContact O-CG2 3.41Å; V958-T962 PolarHBondContact O-N 2.82Å; V958-T962 PolarHBondContact O-OG1 3.46Å; L959-T962 PolarHBondContact O-N 3.07Å; L959-T962 PolarHBondContact O-OG1 2.93Å
963L74.7Confident68Low26 Ų2688.1 Ų88.114%0.13645%0.448CS..  trans-129.678.8-173.6-56.6174.9000109.4V940 L959 I965 L981 F982 N983V940-L963 HydrophobicContact CB-CD1 3.66Å; V940-L963 HydrophobicContact CG2-CD1 3.55Å; L959-L963 HydrophobicContact CD2-CD1 4.18Å; L959-L963 VanDerWaalsContact O-CB 3.29Å; L959-L963 WeakPolarHBondContact O-CB 3.4Å; L959-L963 PolarHBondContact O-N 3.29Å; L963-I965 VanDerWaalsContact C-N 3.3Å; L963-I965 PolarHBondContact O-N 3.34Å; L963-L981 HydrophobicContact CB-CB 3.6Å; L963-L981 HydrophobicContact CD1-CB 3.93Å; L963-L981 HydrophobicContact CG-CB 4.44Å; L963-F982 CarbonylContact C-O 3.56Å; L963-N983 HydrophobicContact CD2-CB 4.01Å
964P67.9Low66.9Low88 Ų8885.9 Ų85.957%0.57144%0.443SS*.  trans-70.5-17.1-162.926.7-36.6000115.1
965I74.9Confident66.3Low33 Ų3396.4 Ų96.417%0.16948%0.477CS..EExtended strand (participates in β ladder)trans-106.5122.6-178.5-56.5-172.9000110.5L963 L981 F982 P984 L1084L963-I965 VanDerWaalsContact C-N 3.3Å; L963-I965 PolarHBondContact O-N 3.34Å; I965-L981 CarbonylContact O-C 3.54Å; I965-L981 WeakPolarHBondContact O-CA 3.44Å; I965-F982 HydrophobicContact CB-CD1 4.35Å; I965-F982 HydrophobicContact CB-CE1 3.93Å; I965-F982 HydrophobicContact CB-CE2 4.33Å; I965-F982 HydrophobicContact CB-CZ 3.92Å; I965-F982 HydrophobicContact CG2-CD1 4.37Å; I965-F982 HydrophobicContact CG2-CE1 3.52Å; I965-F982 HydrophobicContact CG2-CE2 4.38Å; I965-F982 HydrophobicContact CG2-CZ 3.54Å; I965-F982 PolarHBondContact N-O 3.49Å; I965-F982 WeakPolarHBondContact O-CD1 3.36Å; I965-F982 PolarHBondContact O-N 3.47Å; I965-P984 HydrophobicContact CD1-CB 3.99Å; I965-P984 HydrophobicContact CD1-CG 3.63Å; I965-P984 HydrophobicContact CG1-CG 4.24Å; I965-L1084 HydrophobicContact CD1-CD2 4.45Å
966A75.4Confident65.6Low60 Ų6098.2 Ų98.250%0.49649%0.492SS..EExtended strand (participates in β ladder)trans-97.5135.9170.200000111I979 R980 L981A966-I979 HydrophobicContact CB-CG2 4.4Å; A966-R980 CarbonylContact C-O 3.51Å; A966-R980 WeakPolarHBondContact CA-O 3.34Å; A966-L981 HydrophobicContact CB-CD2 3.6Å
967Y77.3Confident65.3Low38 Ų38100 Ų10015%0.14950%0.502CS..EExtended strand (participates in β ladder)trans-123149.5164.888.6-73.3000111.4L935 T939 N969 R980 F982L935-Y967 HydrophobicContact CB-CE1 4.42Å; L935-Y967 HydrophobicContact CD1-CD2 4.31Å; L935-Y967 HydrophobicContact CD1-CE2 4.37Å; L935-Y967 HydrophobicContact CD1-CG 4.37Å; T939-Y967 HydrophobicContact CG2-CD1 4.08Å; T939-Y967 HydrophobicContact CG2-CE1 3.43Å; T939-Y967 VanDerWaalsContact CG2-CE1 3.43Å; Y967-N969 HydrophobicContact CE2-CB 4.26Å; Y967-R980 HydrophobicContact CD1-CB 3.71Å; Y967-R980 HydrophobicContact CE1-CB 3.28Å; Y967-R980 HydrophobicContact CE1-CG 4.12Å; Y967-R980 PolarHBondContact N-O 2.88Å; Y967-R980 PolarHBondContact O-N 3.27Å; Y967-R980 WeakPolarHBondContact OH-CD 3.31Å; Y967-F982 HydrophobicContact CD1-CD1 4.21Å; Y967-F982 HydrophobicContact CD1-CE1 4.2Å
968V74Confident65.3Low78 Ų7897.2 Ų97.247%0.47349%0.489SS..EExtended strand (participates in β ladder)trans-106.3112.1-176.5176.30000109.8K970 P977V968-K970 HydrophobicContact CG1-CG 4.35Å; V968-K970 PolarHBondContact O-N 3.37Å; V968-P977 HydrophobicContact CG1-CB 3.56Å
969N68.4Low65.7Low45 Ų4596.7 Ų96.724%0.24148%0.483CS..EExtended strand (participates in β ladder)trans-84.2100.5175-169.2-14.1000110.3Y967 K971 E978Y967-N969 HydrophobicContact CE2-CB 4.26Å; N969-K971 PolarHBondContact O-N 3.03Å; N969-E978 HydrophobicContact CB-CB 4.4Å; N969-E978 PolarHBondContact N-O 3.08Å
970K61.8Low66.2Low184 Ų18496.6 Ų96.680%0.848%0.479SS*.  trans-7581.9175.3-66.6-173.2-179.1-177.50111.1V968 K972V968-K970 HydrophobicContact CG1-CG 4.35Å; V968-K970 PolarHBondContact O-N 3.37Å; K970-K972 PolarHBondContact O-N 3.11Å
971K58.6Low66.9Low105 Ų10593 Ų9346%0.45746%0.464SS..  trans-69.9125.8166-74.9173.5175.8163.30109.7N969 F973 E978N969-K971 PolarHBondContact O-N 3.03Å; K971-F973 PolarHBondContact O-N 3.35Å; K971-E978 IonicContact NZ-OE2 3.71Å; K971-E978 PolarHBondContact NZ-OE2 3.39Å
972K52.2Low67.6Low208 Ų20885.7 Ų85.790%0.90443%0.43SS*.THydrogen-bonded Turntrans-58.4-12.4179.6-75-171.2174.4-174.90115.3K970K970-K972 PolarHBondContact O-N 3.11Å
973F53.2Low68Low199 Ų19984.4 Ų84.487%0.87342%0.42SS*.THydrogen-bonded Turntrans-117.93.7-166.6-75.3-81.3000115.9K971K971-F973 PolarHBondContact O-N 3.35Å
974T47.6Very low67.9Low73 Ų7383.4 Ų83.445%0.44842%0.415SS..  trans-128.3125.9-178.251.80000111.7S976T974-S976 PolarHBondContact O-N 3.28Å; T974-S976 PolarHBondContact OG1-O 3.19Å
975R55.5Low68.1Low269 Ų26985.3 Ų85.3100%1.01542%0.42SS*.SBendtrans-58.7-13.7178.9-74.6-175.7175.3174.4-1.8114.6
976S56.9Low68Low81 Ų8186.4 Ų86.457%0.56643%0.433SS*.SBendtrans-112.8125.9176.360.70000111.9T974T974-S976 PolarHBondContact O-N 3.28Å; T974-S976 PolarHBondContact OG1-O 3.19Å
977P65.3Low68.1Low86 Ų8684 Ų8456%0.55841%0.412SS*.  trans-64.5138.8171.723-30.2000112.6V968 I979V968-P977 HydrophobicContact CG1-CB 3.56Å; P977-I979 PolarHBondContact O-N 3.15Å
978E69.4Low68.4Low20 Ų2087.1 Ų87.19%0.09343%0.431CS..EExtended strand (participates in β ladder)trans-88.5105.3176.7-171.7-178.7154.400110.2R941 N969 K971 R980R941-E978 HydrophobicContact CG-CG 4.36Å; N969-E978 HydrophobicContact CB-CB 4.4Å; N969-E978 PolarHBondContact N-O 3.08Å; K971-E978 IonicContact NZ-OE2 3.71Å; K971-E978 PolarHBondContact NZ-OE2 3.39Å; E978-R980 IonicContact OE1-CZ 2.09Å; E978-R980 VanDerWaalsContact OE1-CZ 3.29Å; E978-R980 IonicContact OE1-NE 2.52Å; E978-R980 PolarHBondContact OE1-NE 3.46Å; E978-R980 IonicContact OE1-NH2 3.56Å; E978-R980 PolarHBondContact OE1-NH2 3.17Å
979I76.5Confident68.7Low73 Ų7384 Ų8437%0.37441%0.411SS..EExtended strand (participates in β ladder)trans-80.6132.7175.8-59.4170.7000110L942 A966 P977L942-I979 HydrophobicContact CB-CG2 4.3Å; L942-I979 HydrophobicContact CD2-CG2 4.35Å; L942-I979 PolarHBondContact N-O 2.94Å; A966-I979 HydrophobicContact CB-CG2 4.4Å; P977-I979 PolarHBondContact O-N 3.15Å
980R80.4Confident69.2Low47 Ų4788.8 Ų88.818%0.17743%0.432CS..EExtended strand (participates in β ladder)trans-135.6134.8178.1-78.5173.8174.9-123-1.8110.7T939 V940 R941 A966 Y967 E978T939-R980 PolarHBondContact OG1-NH1 3.41Å; V940-R980 CarbonylContact O-C 3.56Å; V940-R980 WeakPolarHBondContact O-CA 3.44Å; R941-R980 HydrophobicContact CB-CG 4.46Å; A966-R980 CarbonylContact C-O 3.51Å; A966-R980 WeakPolarHBondContact CA-O 3.34Å; Y967-R980 HydrophobicContact CD1-CB 3.71Å; Y967-R980 HydrophobicContact CE1-CB 3.28Å; Y967-R980 HydrophobicContact CE1-CG 4.12Å; Y967-R980 PolarHBondContact N-O 2.88Å; Y967-R980 PolarHBondContact O-N 3.27Å; Y967-R980 WeakPolarHBondContact OH-CD 3.31Å; E978-R980 IonicContact OE1-CZ 2.09Å; E978-R980 VanDerWaalsContact OE1-CZ 3.29Å; E978-R980 IonicContact OE1-NE 2.52Å; E978-R980 PolarHBondContact OE1-NE 3.46Å; E978-R980 IonicContact OE1-NH2 3.56Å; E978-R980 PolarHBondContact OE1-NH2 3.17Å
981L79.5Confident70.2Confident10 Ų1084.8 Ų84.85%0.05242%0.417CS..EExtended strand (participates in β ladder)trans-102.8146.6179.5-56.3178.8000110.6T939 V940 L942 L959 L963 I965 A966T939-L981 CarbonylContact C-O 3.53Å; T939-L981 WeakPolarHBondContact CA-O 3.49Å; V940-L981 PolarHBondContact N-O 3.44Å; V940-L981 PolarHBondContact O-N 2.97Å; L942-L981 HydrophobicContact CB-CD1 4.44Å; L942-L981 HydrophobicContact CB-CG 4.35Å; L942-L981 HydrophobicContact CD1-CD1 3.96Å; L942-L981 HydrophobicContact CD2-CD1 4.37Å; L942-L981 HydrophobicContact CG-CD1 4.49Å; L959-L981 HydrophobicContact CB-CD1 3.92Å; L963-L981 HydrophobicContact CB-CB 3.6Å; L963-L981 HydrophobicContact CD1-CB 3.93Å; L963-L981 HydrophobicContact CG-CB 4.44Å; I965-L981 CarbonylContact O-C 3.54Å; I965-L981 WeakPolarHBondContact O-CA 3.44Å; A966-L981 HydrophobicContact CB-CD2 3.6Å
982F82Confident71.4Confident1 Ų180.4 Ų80.40%0.00440%0.397CS..EExtended strand (participates in β ladder)trans-149.1163.7169.965.2-76.4000112.4L935 F938 T939 L963 I965 Y967 P984 I987 L1084L935-F982 HydrophobicContact CD2-CD1 4.27Å; L935-F982 HydrophobicContact CD2-CD2 4.07Å; L935-F982 HydrophobicContact CD2-CE1 3.98Å; L935-F982 HydrophobicContact CD2-CE2 3.76Å; L935-F982 HydrophobicContact CD2-CG 4.31Å; L935-F982 HydrophobicContact CD2-CZ 3.7Å; F938-F982 WeakPolarHBondContact O-CB 3.26Å; T939-F982 HydrophobicContact CG2-CB 3.67Å; T939-F982 HydrophobicContact CG2-CD1 3.91Å; T939-F982 HydrophobicContact CG2-CG 4.03Å; L963-F982 CarbonylContact C-O 3.56Å; I965-F982 HydrophobicContact CB-CD1 4.35Å; I965-F982 HydrophobicContact CB-CE1 3.93Å; I965-F982 HydrophobicContact CB-CE2 4.33Å; I965-F982 HydrophobicContact CB-CZ 3.92Å; I965-F982 HydrophobicContact CG2-CD1 4.37Å; I965-F982 HydrophobicContact CG2-CE1 3.52Å; I965-F982 HydrophobicContact CG2-CE2 4.38Å; I965-F982 HydrophobicContact CG2-CZ 3.54Å; I965-F982 PolarHBondContact N-O 3.49Å; I965-F982 WeakPolarHBondContact O-CD1 3.36Å; I965-F982 PolarHBondContact O-N 3.47Å; Y967-F982 HydrophobicContact CD1-CD1 4.21Å; Y967-F982 HydrophobicContact CD1-CE1 4.2Å; F982-P984 HydrophobicContact CE2-CB 4.38Å; F982-I987 HydrophobicContact CD2-CD1 3.8Å; F982-I987 HydrophobicContact CE2-CD1 3.93Å; F982-L1084 HydrophobicContact CE2-CD1 4.41Å; F982-L1084 HydrophobicContact CE2-CD2 4.34Å; F982-L1084 HydrophobicContact CZ-CD1 4.13Å; F982-L1084 HydrophobicContact CZ-CD2 3.76Å
983N75.5Confident72.9Confident49 Ų4971.4 Ų71.426%0.26236%0.358SS..  trans-99.1117.8167.7-179-3.3000108.8L963 L985 A986L963-N983 HydrophobicContact CD2-CB 4.01Å; N983-L985 PolarHBondContact O-N 2.97Å; N983-L985 WeakPolarHBondContact OD1-CB 3.15Å; N983-L985 PolarHBondContact OD1-N 2.88Å; N983-A986 HydrophobicContact CB-CB 4.44Å; N983-A986 WeakPolarHBondContact O-CB 3.49Å; N983-A986 PolarHBondContact O-N 3.49Å
984P72.6Confident74.3Confident4 Ų468 Ų683%0.02634%0.343CS..G310 helixtrans-60.9-29.917726.6-36.5000112.8I965 F982 A986 I987 F989 G1088I965-P984 HydrophobicContact CD1-CB 3.99Å; I965-P984 HydrophobicContact CD1-CG 3.63Å; I965-P984 HydrophobicContact CG1-CG 4.24Å; F982-P984 HydrophobicContact CE2-CB 4.38Å; P984-A986 PolarHBondContact O-N 2.88Å; P984-I987 PolarHBondContact O-N 3.2Å; P984-F989 HydrophobicContact CB-CE2 4.46Å; P984-F989 HydrophobicContact CB-CZ 4.45Å; P984-F989 VanDerWaalsContact O-CE2 3.25Å; P984-F989 WeakPolarHBondContact O-CE2 3.43Å; P984-G1088 VanDerWaalsContact CG-CA 3.42Å
985L73.8Confident76Confident129 Ų12966.5 Ų66.568%0.67534%0.336SS*.G310 helixtrans-67.6-15.6179.4-60.8173.8000113.4N983 I987 G1088N983-L985 PolarHBondContact O-N 2.97Å; N983-L985 WeakPolarHBondContact OD1-CB 3.15Å; N983-L985 PolarHBondContact OD1-N 2.88Å; L985-I987 VanDerWaalsContact C-N 3.32Å; L985-G1088 WeakPolarHBondContact CD2-O 3.4Å
986A72.3Confident77.4Confident55 Ų5553.7 Ų53.746%0.45529%0.287SS..G310 helixtrans-83.3-5.517700000113.6F938 N983 P984F938-A986 HydrophobicContact CD1-CB 4.37Å; F938-A986 VanDerWaalsContact CE1-O 3.3Å; F938-A986 WeakPolarHBondContact CE1-O 3.27Å; N983-A986 HydrophobicContact CB-CB 4.44Å; N983-A986 WeakPolarHBondContact O-CB 3.49Å; N983-A986 PolarHBondContact O-N 3.49Å; P984-A986 PolarHBondContact O-N 2.88Å
987I78Confident78.7Confident10 Ų1053.3 Ų53.35%0.05127%0.273CS..SBendtrans-102.4122.3-173.8-57178.8000110.1L934 L935 F938 F982 P984 L985 F989L934-I987 HydrophobicContact CD1-CG2 4.15Å; L934-I987 HydrophobicContact CD2-CG2 3.93Å; L934-I987 HydrophobicContact CG-CG2 4.17Å; L935-I987 HydrophobicContact CD2-CD1 3.88Å; F938-I987 HydrophobicContact CB-CD1 4.49Å; F938-I987 HydrophobicContact CB-CG1 4.18Å; F938-I987 HydrophobicContact CD2-CG1 3.97Å; F938-I987 HydrophobicContact CG-CG1 3.98Å; F982-I987 HydrophobicContact CD2-CD1 3.8Å; F982-I987 HydrophobicContact CE2-CD1 3.93Å; P984-I987 PolarHBondContact O-N 3.2Å; L985-I987 VanDerWaalsContact C-N 3.32Å; I987-F989 VanDerWaalsContact C-N 3.28Å; I987-F989 HydrophobicContact CB-CD2 4.33Å; I987-F989 HydrophobicContact CB-CE1 4.24Å; I987-F989 HydrophobicContact CB-CE2 3.96Å; I987-F989 HydrophobicContact CB-CZ 3.9Å; I987-F989 HydrophobicContact CD1-CE1 4.48Å; I987-F989 HydrophobicContact CD1-CZ 4.17Å; I987-F989 HydrophobicContact CG2-CD1 3.96Å; I987-F989 HydrophobicContact CG2-CD2 4.43Å; I987-F989 HydrophobicContact CG2-CE1 3.85Å; I987-F989 HydrophobicContact CG2-CE2 4.34Å; I987-F989 HydrophobicContact CG2-CG 4.25Å; I987-F989 HydrophobicContact CG2-CZ 4.05Å; I987-F989 WeakPolarHBondContact O-CD2 3.39Å; I987-F989 PolarHBondContact O-N 3.27Å
988N82.4Confident79.6Confident103 Ų10353.6 Ų53.655%0.55127%0.271SS*.  trans-74.882169.8-171.8-24.4000110.3E990 Q991 Y992N988-E990 PolarHBondContact O-N 2.81Å; N988-E990 PolarHBondContact OD1-N 3.22Å; N988-Q991 HydrophobicContact CB-CB 4.47Å; N988-Q991 WeakPolarHBondContact OD1-CB 3.27Å; N988-Q991 PolarHBondContact OD1-N 3.33Å; N988-Y992 PolarHBondContact O-N 2.89Å
989F81.8Confident80.3Confident13 Ų1352.8 Ų52.86%0.05727%0.267CS..Hα-helixtrans-61.7-31.1178-68.9-71.2000113P984 I987 Y992 E993 A1081 L1084 K1085P984-F989 HydrophobicContact CB-CE2 4.46Å; P984-F989 HydrophobicContact CB-CZ 4.45Å; P984-F989 VanDerWaalsContact O-CE2 3.25Å; P984-F989 WeakPolarHBondContact O-CE2 3.43Å; I987-F989 VanDerWaalsContact C-N 3.28Å; I987-F989 HydrophobicContact CB-CD2 4.33Å; I987-F989 HydrophobicContact CB-CE1 4.24Å; I987-F989 HydrophobicContact CB-CE2 3.96Å; I987-F989 HydrophobicContact CB-CZ 3.9Å; I987-F989 HydrophobicContact CD1-CE1 4.48Å; I987-F989 HydrophobicContact CD1-CZ 4.17Å; I987-F989 HydrophobicContact CG2-CD1 3.96Å; I987-F989 HydrophobicContact CG2-CD2 4.43Å; I987-F989 HydrophobicContact CG2-CE1 3.85Å; I987-F989 HydrophobicContact CG2-CE2 4.34Å; I987-F989 HydrophobicContact CG2-CG 4.25Å; I987-F989 HydrophobicContact CG2-CZ 4.05Å; I987-F989 WeakPolarHBondContact O-CD2 3.39Å; I987-F989 PolarHBondContact O-N 3.27Å; F989-Y992 PolarHBondContact O-N 3.04Å; F989-E993 WeakPolarHBondContact O-CB 3.44Å; F989-E993 WeakPolarHBondContact O-CG 3.46Å; F989-E993 PolarHBondContact O-N 3.45Å; F989-A1081 HydrophobicContact CD1-CB 4.24Å; F989-L1084 HydrophobicContact CE1-CB 3.73Å; F989-L1084 HydrophobicContact CZ-CB 3.65Å; F989-K1085 HydrophobicContact CB-CD 4.17Å; F989-K1085 HydrophobicContact CD2-CB 3.87Å; F989-K1085 HydrophobicContact CD2-CG 3.99Å; F989-K1085 HydrophobicContact CE2-CB 4.12Å; F989-K1085 HydrophobicContact CG-CB 4.11Å; F989-K1085 HydrophobicContact CG-CG 4.38Å
990E78.2Confident80.7Confident145 Ų14549.3 Ų49.368%0.67825%0.249SC*.Hα-helixtrans-68.9-45.3-176.5-175.1166-165.600112N988 E993 K994N988-E990 PolarHBondContact O-N 2.81Å; N988-E990 PolarHBondContact OD1-N 3.22Å; E990-E993 PolarHBondContact O-N 3.33Å; E990-K994 WeakPolarHBondContact O-CB 3.45Å; E990-K994 PolarHBondContact O-N 3.02Å
991Q81.6Confident80.8Confident101 Ų10151.7 Ų51.747%0.47226%0.261SS..Hα-helixtrans-66.8-36.8174.6-173.966.3-2.900112N988 S995N988-Q991 HydrophobicContact CB-CB 4.47Å; N988-Q991 WeakPolarHBondContact OD1-CB 3.27Å; N988-Q991 PolarHBondContact OD1-N 3.33Å; Q991-S995 WeakPolarHBondContact O-CB 3.49Å; Q991-S995 PolarHBondContact O-N 3.31Å; Q991-S995 PolarHBondContact O-OG 2.73Å
992Y84.8Confident81.1Confident13 Ų1354.4 Ų54.45%0.05128%0.275CS..Hα-helixtrans-65.4-48174.1176-102.4000111.7L929 L931 L934 N988 F989 K994 S995 L996 A1081L929-Y992 PolarHBondContact O-OH 3.17Å; L931-Y992 PolarHBondContact N-OH 3.38Å; L934-Y992 HydrophobicContact CB-CD2 4.27Å; L934-Y992 HydrophobicContact CB-CE2 4.03Å; L934-Y992 HydrophobicContact CD1-CD2 3.83Å; L934-Y992 HydrophobicContact CD1-CE2 4.45Å; L934-Y992 HydrophobicContact CD1-CG 4.17Å; L934-Y992 HydrophobicContact CD2-CD1 3.88Å; L934-Y992 HydrophobicContact CD2-CD2 3.8Å; L934-Y992 HydrophobicContact CD2-CE1 4.06Å; L934-Y992 HydrophobicContact CD2-CE2 3.97Å; L934-Y992 HydrophobicContact CD2-CG 3.72Å; L934-Y992 HydrophobicContact CG-CD2 4.18Å; L934-Y992 HydrophobicContact CG-CE2 4.37Å; L934-Y992 HydrophobicContact CG-CG 4.5Å; N988-Y992 PolarHBondContact O-N 2.89Å; F989-Y992 PolarHBondContact O-N 3.04Å; Y992-K994 PolarHBondContact O-N 3.46Å; Y992-S995 PolarHBondContact O-N 3.08Å; Y992-L996 HydrophobicContact CE1-CD2 3.88Å; Y992-L996 VanDerWaalsContact O-CB 3.28Å; Y992-L996 WeakPolarHBondContact O-CB 3.44Å; Y992-L996 PolarHBondContact O-N 3.09Å; Y992-A1081 HydrophobicContact CD1-CB 4.17Å; Y992-A1081 HydrophobicContact CE1-CB 3.99Å
993E83.5Confident81.2Confident18 Ų1854.4 Ų54.48%0.08428%0.275CS..Hα-helixtrans-57.7-45.5175.9-82.3-173.8-135.200111.7F989 E990 S995 L996 R997F989-E993 WeakPolarHBondContact O-CB 3.44Å; F989-E993 WeakPolarHBondContact O-CG 3.46Å; F989-E993 PolarHBondContact O-N 3.45Å; E990-E993 PolarHBondContact O-N 3.33Å; E993-S995 PolarHBondContact O-N 3.09Å; E993-L996 PolarHBondContact O-N 2.68Å; E993-R997 WeakPolarHBondContact O-CB 3.29Å; E993-R997 VanDerWaalsContact O-CG 3.28Å; E993-R997 WeakPolarHBondContact O-CG 3.49Å; E993-R997 PolarHBondContact O-N 3.24Å; E993-R997 IonicContact OE2-CZ 3.99Å; E993-R997 VanDerWaalsContact OE2-CZ 3.26Å; E993-R997 IonicContact OE2-NH1 2.74Å; E993-R997 PolarHBondContact OE2-NH1 3.27Å; E993-R997 IonicContact OE2-NH2 3.6Å; E993-R997 PolarHBondContact OE2-NH2 3.26Å
994K83.3Confident81.6Confident127 Ų12752 Ų5255%0.55226%0.262SS*.Hα-helixtrans-60.3-45.4176.7-172.7175.6-178177.10111.7E990 Y992 N998E990-K994 WeakPolarHBondContact O-CB 3.45Å; E990-K994 PolarHBondContact O-N 3.02Å; Y992-K994 PolarHBondContact O-N 3.46Å; K994-N998 WeakPolarHBondContact O-CB 3.34Å; K994-N998 VanDerWaalsContact O-CG 3.25Å; K994-N998 PolarHBondContact O-N 3.26Å; K994-N998 PolarHBondContact O-OD1 2.78Å
995S83.2Confident82.1Confident42 Ų4257.9 Ų57.929%0.29429%0.288SS..Hα-helixtrans-67-39.8179.5-54.80000112.4Q991 Y992 E993 N998 A999Q991-S995 WeakPolarHBondContact O-CB 3.49Å; Q991-S995 PolarHBondContact O-N 3.31Å; Q991-S995 PolarHBondContact O-OG 2.73Å; Y992-S995 PolarHBondContact O-N 3.08Å; E993-S995 PolarHBondContact O-N 3.09Å; S995-N998 PolarHBondContact O-N 2.74Å; S995-A999 PolarHBondContact O-N 3.32Å
996L85.2Confident82.5Confident0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-68.3-44.7177.4-178.259.9000111.8L924 L929 Y992 E993 N998 A999 L1000 L1078L924-L996 HydrophobicContact CD2-CD1 3.66Å; L929-L996 HydrophobicContact CB-CD1 4.4Å; Y992-L996 HydrophobicContact CE1-CD2 3.88Å; Y992-L996 VanDerWaalsContact O-CB 3.28Å; Y992-L996 WeakPolarHBondContact O-CB 3.44Å; Y992-L996 PolarHBondContact O-N 3.09Å; E993-L996 PolarHBondContact O-N 2.68Å; L996-N998 VanDerWaalsContact C-N 3.34Å; L996-N998 PolarHBondContact O-N 2.91Å; L996-A999 PolarHBondContact O-N 2.81Å; L996-L1000 HydrophobicContact CD1-CD1 4.5Å; L996-L1000 HydrophobicContact CD1-CG 4.46Å; L996-L1000 HydrophobicContact CG-CD1 4.26Å; L996-L1000 WeakPolarHBondContact O-CB 3.48Å; L996-L1000 WeakPolarHBondContact O-CG 3.44Å; L996-L1000 PolarHBondContact O-N 2.92Å; L996-L1078 HydrophobicContact CD2-CB 3.99Å; L996-L1078 HydrophobicContact CD2-CD1 4.49Å
997R83.7Confident83Confident73 Ų7350.5 Ų50.528%0.27524%0.24SC..Hα-helixtrans-57.3-46173-74.1-178.2-178.5107.314.1111.5E993 A999 L1000 F1001 L1078E993-R997 WeakPolarHBondContact O-CB 3.29Å; E993-R997 VanDerWaalsContact O-CG 3.28Å; E993-R997 WeakPolarHBondContact O-CG 3.49Å; E993-R997 PolarHBondContact O-N 3.24Å; E993-R997 IonicContact OE2-CZ 3.99Å; E993-R997 VanDerWaalsContact OE2-CZ 3.26Å; E993-R997 IonicContact OE2-NH1 2.74Å; E993-R997 PolarHBondContact OE2-NH1 3.27Å; E993-R997 IonicContact OE2-NH2 3.6Å; E993-R997 PolarHBondContact OE2-NH2 3.26Å; R997-A999 VanDerWaalsContact C-N 3.34Å; R997-A999 PolarHBondContact O-N 3.23Å; R997-L1000 PolarHBondContact O-N 3.14Å; R997-F1001 WeakPolarHBondContact O-CB 3.45Å; R997-F1001 PolarHBondContact O-N 2.88Å; R997-L1078 HydrophobicContact CG-CD1 4Å
998N84.2Confident83.2Confident93 Ų9351 Ų5150%0.49724%0.242SC..Hα-helixtrans-62.5-38.5177.4-72.9-0.1000112.6K994 S995 L996 I1002K994-N998 WeakPolarHBondContact O-CB 3.34Å; K994-N998 VanDerWaalsContact O-CG 3.25Å; K994-N998 PolarHBondContact O-N 3.26Å; K994-N998 PolarHBondContact O-OD1 2.78Å; S995-N998 PolarHBondContact O-N 2.74Å; L996-N998 VanDerWaalsContact C-N 3.34Å; L996-N998 PolarHBondContact O-N 2.91Å; N998-I1002 WeakPolarHBondContact O-CD1 3.32Å; N998-I1002 VanDerWaalsContact O-CG1 3.31Å; N998-I1002 WeakPolarHBondContact O-CG1 3.4Å; N998-I1002 PolarHBondContact O-N 3.13Å; N998-I1002 VanDerWaalsContact O-N 3.15Å
999A84.8Confident83.1Confident3 Ų350.4 Ų50.43%0.02524%0.236CC..Hα-helixtrans-69.1-42.3175.300000112.4L924 K927 L929 S995 L996 R997 F1001 I1002 I1003L924-A999 HydrophobicContact CD2-CB 4.06Å; K927-A999 HydrophobicContact CD-CB 4.29Å; L929-A999 HydrophobicContact CD1-CB 3.34Å; S995-A999 PolarHBondContact O-N 3.32Å; L996-A999 PolarHBondContact O-N 2.81Å; R997-A999 VanDerWaalsContact C-N 3.34Å; R997-A999 PolarHBondContact O-N 3.23Å; A999-F1001 VanDerWaalsContact C-N 3.33Å; A999-F1001 PolarHBondContact O-N 3.05Å; A999-I1002 PolarHBondContact O-N 3.46Å; A999-I1003 WeakPolarHBondContact O-CG1 3.23Å; A999-I1003 PolarHBondContact O-N 3.39Å
1000L84.2Confident83Confident0 Ų049.9 Ų49.90%023%0.234CC..Hα-helixtrans-60.6-41.4174.1-74.4173.7000111.9L996 R997 I1002 I1003 E1004 L1071 P1109L996-L1000 HydrophobicContact CD1-CD1 4.5Å; L996-L1000 HydrophobicContact CD1-CG 4.46Å; L996-L1000 HydrophobicContact CG-CD1 4.26Å; L996-L1000 WeakPolarHBondContact O-CB 3.48Å; L996-L1000 WeakPolarHBondContact O-CG 3.44Å; L996-L1000 PolarHBondContact O-N 2.92Å; R997-L1000 PolarHBondContact O-N 3.14Å; L1000-I1002 VanDerWaalsContact C-N 3.34Å; L1000-I1002 PolarHBondContact O-N 2.99Å; L1000-I1003 PolarHBondContact O-N 3.04Å; L1000-E1004 WeakPolarHBondContact O-CB 3.43Å; L1000-E1004 PolarHBondContact O-N 2.74Å; L1000-L1071 HydrophobicContact CD2-CD2 3.78Å; L1000-P1109 HydrophobicContact CD1-CB 4.31Å
1001F82.9Confident82.9Confident97 Ų9743 Ų4343%0.42520%0.202SC..Hα-helixtrans-60.3-40.1173.5179.2-99.4000112.6R997 A999 K1005R997-F1001 WeakPolarHBondContact O-CB 3.45Å; R997-F1001 PolarHBondContact O-N 2.88Å; A999-F1001 VanDerWaalsContact C-N 3.33Å; A999-F1001 PolarHBondContact O-N 3.05Å; F1001-K1005 VanDerWaalsContact O-CB 3.23Å; F1001-K1005 WeakPolarHBondContact O-CB 3.48Å; F1001-K1005 PolarHBondContact O-N 2.98Å
1002I84.7Confident82.8Confident67 Ų6740.6 Ų40.634%0.34419%0.19SC..Hα-helixtrans-67.4-40.1176.4-68.3163.1000111.4W918 N998 A999 L1000 K1006W918-I1002 HydrophobicContact CH2-CG2 3.95Å; W918-I1002 HydrophobicContact CZ2-CG2 3.99Å; N998-I1002 WeakPolarHBondContact O-CD1 3.32Å; N998-I1002 VanDerWaalsContact O-CG1 3.31Å; N998-I1002 WeakPolarHBondContact O-CG1 3.4Å; N998-I1002 PolarHBondContact O-N 3.13Å; N998-I1002 VanDerWaalsContact O-N 3.15Å; A999-I1002 PolarHBondContact O-N 3.46Å; L1000-I1002 VanDerWaalsContact C-N 3.34Å; L1000-I1002 PolarHBondContact O-N 2.99Å; I1002-K1006 PolarHBondContact O-N 3.32Å; I1002-K1006 VanDerWaalsContact O-N 3.17Å
1003I84.4Confident82.4Confident0 Ų045.6 Ų45.60%021%0.214CC..Hα-helixtrans-68.4-45.3177.5-63.7165.2000110.6W918 L924 A999 L1000 K1005 K1006 L1007 L1067 E1070 L1071W918-I1003 HydrophobicContact CH2-CG1 4.41Å; W918-I1003 HydrophobicContact CZ3-CG1 4.33Å; L924-I1003 HydrophobicContact CD2-CD1 4.28Å; L924-I1003 HydrophobicContact CG-CD1 4.28Å; A999-I1003 WeakPolarHBondContact O-CG1 3.23Å; A999-I1003 PolarHBondContact O-N 3.39Å; L1000-I1003 PolarHBondContact O-N 3.04Å; I1003-K1005 PolarHBondContact O-N 3.23Å; I1003-K1006 PolarHBondContact O-N 3.2Å; I1003-L1007 PolarHBondContact O-N 2.96Å; I1003-L1067 HydrophobicContact CG2-CD2 3.9Å; I1003-E1070 HydrophobicContact CD1-CB 4.34Å; I1003-L1071 HydrophobicContact CB-CD2 3.94Å; I1003-L1071 HydrophobicContact CB-CG 4.49Å; I1003-L1071 HydrophobicContact CG2-CD1 4.36Å; I1003-L1071 HydrophobicContact CG2-CD2 3.72Å; I1003-L1071 HydrophobicContact CG2-CG 3.72Å
1004E83.7Confident82Confident0 Ų049.5 Ų49.50%023%0.228CC..Hα-helixtrans-62.8-41.6175.8-174.5-179.7-130.200111.2L1000 K1006 L1007 I1008 W1041 L1071 C1110 H1112L1000-E1004 WeakPolarHBondContact O-CB 3.43Å; L1000-E1004 PolarHBondContact O-N 2.74Å; E1004-K1006 VanDerWaalsContact C-N 3.32Å; E1004-K1006 PolarHBondContact O-N 3.47Å; E1004-L1007 WeakPolarHBondContact O-CB 3.4Å; E1004-L1007 PolarHBondContact O-N 3.21Å; E1004-L1007 VanDerWaalsContact O-N 3.15Å; E1004-I1008 HydrophobicContact CG-CD1 3.9Å; E1004-I1008 HydrophobicContact CG-CG1 4.38Å; E1004-I1008 WeakPolarHBondContact O-CB 3.3Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.47Å; E1004-I1008 PolarHBondContact O-N 2.86Å; E1004-W1041 HydrophobicContact CG-CB 4.42Å; E1004-W1041 PolarHBondContact OE1-N 2.82Å; E1004-L1071 HydrophobicContact CB-CD2 4.18Å; E1004-C1110 HydrophobicContact CB-CB 4.5Å; E1004-C1110 VanDerWaalsContact CD-SG 3.52Å; E1004-C1110 PolarHBondContact OE1-SG 3.24Å; E1004-C1110 VanDerWaalsContact OE1-SG 3.37Å; E1004-C1110 WeakPolarHBondContact OE2-CB 3.29Å; E1004-C1110 PolarHBondContact OE2-SG 3.04Å; E1004-H1112 IonicContact OE1-ND1 2.64Å; E1004-H1112 IonicContact OE2-CE1 2.88Å; E1004-H1112 PolarHBondContact OE2-CE1 3.25Å; E1004-H1112 IonicContact OE2-CG 3.88Å; E1004-H1112 IonicContact OE2-ND1 2.69Å; E1004-H1112 PolarHBondContact OE2-ND1 2.95Å
1005K82.7Confident81.6Confident127 Ų12744 Ų4455%0.55221%0.205SC*.Hα-helixtrans-57.2-43.5174.3-176.8-176.7174-1720111.7F1001 I1003 I1008 E1009F1001-K1005 VanDerWaalsContact O-CB 3.23Å; F1001-K1005 WeakPolarHBondContact O-CB 3.48Å; F1001-K1005 PolarHBondContact O-N 2.98Å; I1003-K1005 PolarHBondContact O-N 3.23Å; K1005-I1008 PolarHBondContact O-N 3.41Å; K1005-E1009 WeakPolarHBondContact O-CB 3.33Å; K1005-E1009 PolarHBondContact O-N 2.97Å
1006K83.6Confident81.2Confident29 Ų2945.1 Ų45.113%0.12621%0.208CC..Hα-helixtrans-70.7-32.8177.2-17452.7176.7162.50112.4W918 I1002 I1003 E1004 E1009 I1010 E1013W918-K1006 HydrophobicContact CD2-CG 4.03Å; W918-K1006 HydrophobicContact CE3-CG 4.25Å; W918-K1006 HydrophobicContact CH2-CB 3.61Å; W918-K1006 HydrophobicContact CH2-CG 4.13Å; W918-K1006 HydrophobicContact CZ2-CB 3.6Å; W918-K1006 HydrophobicContact CZ2-CG 3.9Å; W918-K1006 HydrophobicContact CZ3-CB 4.13Å; W918-K1006 HydrophobicContact CZ3-CG 4.3Å; I1002-K1006 PolarHBondContact O-N 3.32Å; I1002-K1006 VanDerWaalsContact O-N 3.17Å; I1003-K1006 PolarHBondContact O-N 3.2Å; E1004-K1006 VanDerWaalsContact C-N 3.32Å; E1004-K1006 PolarHBondContact O-N 3.47Å; K1006-E1009 HydrophobicContact CD-CB 4.18Å; K1006-E1009 HydrophobicContact CD-CG 4.3Å; K1006-E1009 WeakPolarHBondContact CD-OE1 3.44Å; K1006-E1009 WeakPolarHBondContact CE-OE1 3.18Å; K1006-E1009 IonicContact NZ-OE1 3.19Å; K1006-E1009 PolarHBondContact NZ-OE1 2.87Å; K1006-E1009 WeakPolarHBondContact O-CB 3.17Å; K1006-E1009 PolarHBondContact O-N 3.09Å; K1006-I1010 HydrophobicContact CD-CD1 4.4Å; K1006-I1010 HydrophobicContact CD-CG1 4.42Å; K1006-I1010 HydrophobicContact CG-CD1 4.15Å; K1006-I1010 WeakPolarHBondContact O-CD1 3.34Å; K1006-I1010 VanDerWaalsContact O-CG1 3.25Å; K1006-I1010 WeakPolarHBondContact O-CG1 3.45Å; K1006-I1010 PolarHBondContact O-N 3.31Å; K1006-E1013 IonicContact NZ-OE2 2.66Å
1007L82.7Confident80.8Confident0 Ų050.6 Ų50.60%024%0.237CC..Hα-helixtrans-63.6-42.3170.8177.4144.2000111.7I1003 E1004 I1010 I1011 W1041 F1064 T1068 L1071I1003-L1007 PolarHBondContact O-N 2.96Å; E1004-L1007 WeakPolarHBondContact O-CB 3.4Å; E1004-L1007 PolarHBondContact O-N 3.21Å; E1004-L1007 VanDerWaalsContact O-N 3.15Å; L1007-I1010 PolarHBondContact O-N 2.86Å; L1007-I1011 HydrophobicContact CD2-CD1 3.64Å; L1007-I1011 HydrophobicContact CG-CD1 4.44Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.4Å; L1007-I1011 PolarHBondContact O-N 2.85Å; L1007-W1041 HydrophobicContact CD1-CD2 4.21Å; L1007-W1041 HydrophobicContact CD1-CE3 3.93Å; L1007-W1041 HydrophobicContact CD1-CZ3 4.34Å; L1007-W1041 HydrophobicContact CD2-CB 4.45Å; L1007-W1041 HydrophobicContact CD2-CE3 4.02Å; L1007-F1064 HydrophobicContact CD1-CE2 3.94Å; L1007-F1064 HydrophobicContact CD1-CZ 3.91Å; L1007-F1064 HydrophobicContact CG-CE2 4.14Å; L1007-F1064 HydrophobicContact CG-CZ 4.39Å; L1007-T1068 HydrophobicContact CD1-CG2 3.85Å; L1007-L1071 HydrophobicContact CD1-CD1 3.95Å
1008I80.9Confident80.4Confident21 Ų2152.6 Ų52.611%0.10825%0.253CS..Hα-helixtrans-66.6-38.3175.2-69.2171.1000111.4E1004 K1005 I1011 F1012E1004-I1008 HydrophobicContact CG-CD1 3.9Å; E1004-I1008 HydrophobicContact CG-CG1 4.38Å; E1004-I1008 WeakPolarHBondContact O-CB 3.3Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.47Å; E1004-I1008 PolarHBondContact O-N 2.86Å; K1005-I1008 PolarHBondContact O-N 3.41Å; I1008-I1011 WeakPolarHBondContact O-CB 3.39Å; I1008-I1011 PolarHBondContact O-N 3.28Å; I1008-F1012 HydrophobicContact CG2-CD2 3.77Å; I1008-F1012 HydrophobicContact CG2-CE2 3.33Å; I1008-F1012 HydrophobicContact CG2-CZ 4.31Å; I1008-F1012 WeakPolarHBondContact O-CD2 3.42Å; I1008-F1012 PolarHBondContact O-N 3Å; I1008-F1012 VanDerWaalsContact O-N 3.11Å
1009E81Confident80Confident90 Ų9049 Ų4942%0.42124%0.235SC..Hα-helixtrans-60.5-47173.4-171.5-177.3128.200111.1K1005 K1006 I1011 F1012 E1013K1005-E1009 WeakPolarHBondContact O-CB 3.33Å; K1005-E1009 PolarHBondContact O-N 2.97Å; K1006-E1009 HydrophobicContact CD-CB 4.18Å; K1006-E1009 HydrophobicContact CD-CG 4.3Å; K1006-E1009 WeakPolarHBondContact CD-OE1 3.44Å; K1006-E1009 WeakPolarHBondContact CE-OE1 3.18Å; K1006-E1009 IonicContact NZ-OE1 3.19Å; K1006-E1009 PolarHBondContact NZ-OE1 2.87Å; K1006-E1009 WeakPolarHBondContact O-CB 3.17Å; K1006-E1009 PolarHBondContact O-N 3.09Å; E1009-I1011 VanDerWaalsContact C-N 3.34Å; E1009-I1011 PolarHBondContact O-N 3.05Å; E1009-F1012 CarbonylContact O-C 3.51Å; E1009-F1012 PolarHBondContact O-N 3.4Å; E1009-F1012 VanDerWaalsContact O-N 3.1Å; E1009-E1013 VanDerWaalsContact O-CB 3.3Å; E1009-E1013 WeakPolarHBondContact O-CB 3.25Å; E1009-E1013 PolarHBondContact O-N 3.28Å
1010I78.9Confident79.7Confident2 Ų249.2 Ų49.21%0.0124%0.236CC..Hα-helixtrans-61.6-39.1175.2-69.9160.4000111.7I915 K1006 L1007 F1012 E1013 Y1014 F1059 L1067I915-I1010 HydrophobicContact CD1-CD1 3.86Å; I915-I1010 HydrophobicContact CG1-CD1 3.97Å; K1006-I1010 HydrophobicContact CD-CD1 4.4Å; K1006-I1010 HydrophobicContact CD-CG1 4.42Å; K1006-I1010 HydrophobicContact CG-CD1 4.15Å; K1006-I1010 WeakPolarHBondContact O-CD1 3.34Å; K1006-I1010 VanDerWaalsContact O-CG1 3.25Å; K1006-I1010 WeakPolarHBondContact O-CG1 3.45Å; K1006-I1010 PolarHBondContact O-N 3.31Å; L1007-I1010 PolarHBondContact O-N 2.86Å; I1010-F1012 VanDerWaalsContact C-N 3.29Å; I1010-F1012 PolarHBondContact O-N 2.82Å; I1010-E1013 PolarHBondContact O-N 2.87Å; I1010-Y1014 HydrophobicContact CG2-CD2 3.89Å; I1010-Y1014 HydrophobicContact CG2-CE2 4.38Å; I1010-Y1014 WeakPolarHBondContact O-CD2 3.12Å; I1010-Y1014 PolarHBondContact O-N 3.19Å; I1010-Y1014 VanDerWaalsContact O-N 3.1Å; I1010-F1059 HydrophobicContact CG2-CE1 3.7Å; I1010-F1059 HydrophobicContact CG2-CE2 4.26Å; I1010-F1059 HydrophobicContact CG2-CZ 3.49Å; I1010-F1059 VanDerWaalsContact CG2-CZ 3.49Å; I1010-L1067 HydrophobicContact CD1-CD1 3.43Å; I1010-L1067 VanDerWaalsContact CD1-CD1 3.43Å
1011I77.6Confident79.4Confident0 Ų052.4 Ų52.40%025%0.253CS..Hα-helixtrans-59.6-39.3173.9-73.9167.1000111.5L1007 I1008 E1009 I1015 L1020 L1023 L1039 I1048 F1052L1007-I1011 HydrophobicContact CD2-CD1 3.64Å; L1007-I1011 HydrophobicContact CG-CD1 4.44Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.4Å; L1007-I1011 PolarHBondContact O-N 2.85Å; I1008-I1011 WeakPolarHBondContact O-CB 3.39Å; I1008-I1011 PolarHBondContact O-N 3.28Å; E1009-I1011 VanDerWaalsContact C-N 3.34Å; E1009-I1011 PolarHBondContact O-N 3.05Å; I1011-I1015 HydrophobicContact CG2-CD1 4.06Å; I1011-I1015 VanDerWaalsContact O-CB 3.32Å; I1011-I1015 WeakPolarHBondContact O-CB 3.37Å; I1011-I1015 WeakPolarHBondContact O-CG1 3.29Å; I1011-I1015 PolarHBondContact O-N 2.81Å; I1011-L1020 HydrophobicContact CG2-CD2 4.07Å; I1011-L1023 HydrophobicContact CG2-CD2 4.14Å; I1011-L1039 HydrophobicContact CD1-CD2 4.06Å; I1011-L1039 HydrophobicContact CG2-CD2 4.13Å; I1011-I1048 HydrophobicContact CD1-CD1 3.97Å; I1011-I1048 HydrophobicContact CD1-CG1 4.22Å; I1011-I1048 HydrophobicContact CD1-CG2 3.71Å; I1011-I1048 HydrophobicContact CG1-CG2 4.29Å; I1011-F1052 HydrophobicContact CG1-CE2 3.77Å; I1011-F1052 HydrophobicContact CG1-CZ 3.8Å
1012F78.7Confident79.2Confident51 Ų5151.7 Ų51.722%0.22425%0.254CS..Hα-helixtrans-84-19.9178.8-67.6-51.4000114.8I1008 E1009 I1010 L1020 W1035 R1036I1008-F1012 HydrophobicContact CG2-CD2 3.77Å; I1008-F1012 HydrophobicContact CG2-CE2 3.33Å; I1008-F1012 HydrophobicContact CG2-CZ 4.31Å; I1008-F1012 WeakPolarHBondContact O-CD2 3.42Å; I1008-F1012 PolarHBondContact O-N 3Å; I1008-F1012 VanDerWaalsContact O-N 3.11Å; E1009-F1012 CarbonylContact O-C 3.51Å; E1009-F1012 PolarHBondContact O-N 3.4Å; E1009-F1012 VanDerWaalsContact O-N 3.1Å; I1010-F1012 VanDerWaalsContact C-N 3.29Å; I1010-F1012 PolarHBondContact O-N 2.82Å; F1012-L1020 HydrophobicContact CD1-CD1 3.96Å; F1012-L1020 HydrophobicContact CD1-CD2 3.75Å; F1012-L1020 HydrophobicContact CE1-CD2 3.92Å; F1012-W1035 AromaticContact CE1-CH2 3.64Å; F1012-W1035 HydrophobicContact CE1-CH2 3.64Å; F1012-W1035 HydrophobicContact CE1-CZ2 4.23Å; F1012-W1035 AromaticContact CE1-CZ3 3.91Å; F1012-W1035 HydrophobicContact CE1-CZ3 3.91Å; F1012-W1035 HydrophobicContact CZ-CH2 4.24Å; F1012-W1035 HydrophobicContact CZ-CZ3 4.07Å; F1012-R1036 HydrophobicContact CE1-CG 3.88Å; F1012-R1036 HydrophobicContact CE2-CB 3.76Å; F1012-R1036 HydrophobicContact CE2-CG 3.86Å; F1012-R1036 HydrophobicContact CZ-CB 3.63Å; F1012-R1036 HydrophobicContact CZ-CG 3.41Å; F1012-R1036 VanDerWaalsContact CZ-CG 3.41Å
1013E77.3Confident78.9Confident118 Ų11848.5 Ų48.555%0.55124%0.237SC*.Hα-helixtrans-83.3-33.2179.8-175.3172.3-160.700112.2K1006 E1009 I1010K1006-E1013 IonicContact NZ-OE2 2.66Å; E1009-E1013 VanDerWaalsContact O-CB 3.3Å; E1009-E1013 WeakPolarHBondContact O-CB 3.25Å; E1009-E1013 PolarHBondContact O-N 3.28Å; I1010-E1013 PolarHBondContact O-N 2.87Å
1014Y74.8Confident78.7Confident100 Ų10051.4 Ų51.439%0.39225%0.248SC..Hα-helixtrans-115.3-7.5-170-71.5-84.6000116.1I1010 P1058 F1059I1010-Y1014 HydrophobicContact CG2-CD2 3.89Å; I1010-Y1014 HydrophobicContact CG2-CE2 4.38Å; I1010-Y1014 WeakPolarHBondContact O-CD2 3.12Å; I1010-Y1014 PolarHBondContact O-N 3.19Å; I1010-Y1014 VanDerWaalsContact O-N 3.1Å; Y1014-P1058 HydrophobicContact CD1-CB 4.12Å; Y1014-P1058 HydrophobicContact CD1-CG 4.31Å; Y1014-P1058 HydrophobicContact CG-CG 4.44Å; Y1014-F1059 HydrophobicContact CD1-CD1 4.22Å; Y1014-F1059 HydrophobicContact CD2-CD1 4.38Å; Y1014-F1059 HydrophobicContact CD2-CE1 4.43Å; Y1014-F1059 HydrophobicContact CG-CD1 4.08Å; Y1014-F1059 HydrophobicContact CG-CE1 4.3Å
1015I74.9Confident78.5Confident10 Ų1057.3 Ų57.35%0.05127%0.274CS..SBendtrans-104.7135.3176.4-54.2-176.4000109.3I1011 L1020 T1051 F1052I1011-I1015 HydrophobicContact CG2-CD1 4.06Å; I1011-I1015 VanDerWaalsContact O-CB 3.32Å; I1011-I1015 WeakPolarHBondContact O-CB 3.37Å; I1011-I1015 WeakPolarHBondContact O-CG1 3.29Å; I1011-I1015 PolarHBondContact O-N 2.81Å; I1015-L1020 HydrophobicContact CB-CD2 4.1Å; I1015-L1020 HydrophobicContact CB-CG 4.05Å; I1015-L1020 HydrophobicContact CG2-CD2 4.21Å; I1015-L1020 HydrophobicContact CG2-CG 3.93Å; I1015-L1020 WeakPolarHBondContact O-CD1 3.43Å; I1015-T1051 HydrophobicContact CD1-CG2 4.1Å; I1015-T1051 HydrophobicContact CG2-CG2 4.11Å; I1015-F1052 HydrophobicContact CD1-CD1 4.13Å; I1015-F1052 HydrophobicContact CD1-CE1 3.76Å; I1015-F1052 HydrophobicContact CD1-CE2 4.25Å; I1015-F1052 HydrophobicContact CD1-CZ 3.83Å; I1015-F1052 HydrophobicContact CG1-CD1 4.25Å; I1015-F1052 HydrophobicContact CG1-CE1 3.72Å; I1015-F1052 HydrophobicContact CG1-CZ 4.16Å
1016D75.3Confident78.4Confident67 Ų6755.2 Ų55.236%0.35827%0.268SS..  trans-66.2160.417868.5-77000112.6D1018 S1019 L1020 N1055D1016-D1018 VanDerWaalsContact C-N 3.26Å; D1016-D1018 PolarHBondContact O-N 2.86Å; D1016-D1018 WeakPolarHBondContact OD2-CA 3.4Å; D1016-D1018 WeakPolarHBondContact OD2-CB 3.44Å; D1016-D1018 PolarHBondContact OD2-N 2.81Å; D1016-S1019 PolarHBondContact O-N 2.81Å; D1016-S1019 WeakPolarHBondContact OD1-CB 3.4Å; D1016-S1019 PolarHBondContact OD1-OG 2.86Å; D1016-S1019 PolarHBondContact OD2-N 3.5Å; D1016-S1019 PolarHBondContact OD2-OG 3.07Å; D1016-L1020 WeakPolarHBondContact O-CB 3.48Å; D1016-L1020 VanDerWaalsContact O-CG 3.31Å; D1016-L1020 WeakPolarHBondContact O-CG 3.34Å; D1016-L1020 PolarHBondContact O-N 3.34Å; D1016-N1055 PolarHBondContact OD1-OD1 2.99Å; D1016-N1055 VanDerWaalsContact OD1-OD1 3.08Å
1017N75.2Confident77.9Confident115 Ų11554.2 Ų54.262%0.61527%0.265SS*.Hα-helixtrans-64-27.5-176-76.8-60.5000113.6N1021N1017-N1021 WeakPolarHBondContact O-CB 3.4Å; N1017-N1021 VanDerWaalsContact O-CG 3.28Å; N1017-N1021 PolarHBondContact O-N 3.12Å; N1017-N1021 PolarHBondContact O-ND2 2.87Å
1018D75.1Confident77.6Confident115 Ų11558.1 Ų58.162%0.61529%0.286SS*.Hα-helixtrans-79.1-44-178.4-65.3-34.7000110.6D1016 L1020 N1021 N1022D1016-D1018 VanDerWaalsContact C-N 3.26Å; D1016-D1018 PolarHBondContact O-N 2.86Å; D1016-D1018 WeakPolarHBondContact OD2-CA 3.4Å; D1016-D1018 WeakPolarHBondContact OD2-CB 3.44Å; D1016-D1018 PolarHBondContact OD2-N 2.81Å; D1018-L1020 VanDerWaalsContact C-N 3.33Å; D1018-L1020 PolarHBondContact O-N 2.78Å; D1018-N1021 CarbonylContact O-C 3.59Å; D1018-N1021 WeakPolarHBondContact O-CB 3.17Å; D1018-N1021 PolarHBondContact O-N 2.64Å; D1018-N1021 VanDerWaalsContact O-N 3.13Å; D1018-N1022 PolarHBondContact O-N 2.81Å; D1018-N1022 PolarHBondContact O-ND2 3.04Å
1019S76.9Confident77.4Confident17 Ų1757.1 Ų57.112%0.11928%0.281CS..Hα-helixtrans-62.5-35.8169.2-65.10000113.1D1016 N1021 N1022 L1023 N1055D1016-S1019 PolarHBondContact O-N 2.81Å; D1016-S1019 WeakPolarHBondContact OD1-CB 3.4Å; D1016-S1019 PolarHBondContact OD1-OG 2.86Å; D1016-S1019 PolarHBondContact OD2-N 3.5Å; D1016-S1019 PolarHBondContact OD2-OG 3.07Å; S1019-N1021 VanDerWaalsContact C-N 3.33Å; S1019-N1022 PolarHBondContact O-N 3.11Å; S1019-L1023 WeakPolarHBondContact O-CB 3.5Å; S1019-L1023 PolarHBondContact O-N 3.14Å; S1019-N1055 VanDerWaalsContact CB-ND2 3.27Å; S1019-N1055 WeakPolarHBondContact CB-ND2 3.2Å; S1019-N1055 PolarHBondContact OG-ND2 3.37Å; S1019-N1055 PolarHBondContact OG-OD1 2.9Å; S1019-N1055 VanDerWaalsContact OG-OD1 3.13Å
1020L79Confident77Confident7 Ų756.3 Ų56.34%0.03728%0.279CS..Hα-helixtrans-65.5-35.4171.8-76.6172.3000112.2I1011 F1012 I1015 D1016 D1018 L1023 R1024 W1035I1011-L1020 HydrophobicContact CG2-CD2 4.07Å; F1012-L1020 HydrophobicContact CD1-CD1 3.96Å; F1012-L1020 HydrophobicContact CD1-CD2 3.75Å; F1012-L1020 HydrophobicContact CE1-CD2 3.92Å; I1015-L1020 HydrophobicContact CB-CD2 4.1Å; I1015-L1020 HydrophobicContact CB-CG 4.05Å; I1015-L1020 HydrophobicContact CG2-CD2 4.21Å; I1015-L1020 HydrophobicContact CG2-CG 3.93Å; I1015-L1020 WeakPolarHBondContact O-CD1 3.43Å; D1016-L1020 WeakPolarHBondContact O-CB 3.48Å; D1016-L1020 VanDerWaalsContact O-CG 3.31Å; D1016-L1020 WeakPolarHBondContact O-CG 3.34Å; D1016-L1020 PolarHBondContact O-N 3.34Å; D1018-L1020 VanDerWaalsContact C-N 3.33Å; D1018-L1020 PolarHBondContact O-N 2.78Å; L1020-L1023 HydrophobicContact CD2-CD2 4.46Å; L1020-R1024 WeakPolarHBondContact O-CB 3.28Å; L1020-R1024 PolarHBondContact O-N 2.93Å; L1020-W1035 HydrophobicContact CB-CH2 4.34Å; L1020-W1035 HydrophobicContact CD2-CH2 4.32Å
1021N76.4Confident76.7Confident68 Ų6864.3 Ų64.336%0.36431%0.314SS..Hα-helixtrans-70.5-33.5172.7-77.3-42.7000112.1N1017 D1018 S1019 R1024 K1025N1017-N1021 WeakPolarHBondContact O-CB 3.4Å; N1017-N1021 VanDerWaalsContact O-CG 3.28Å; N1017-N1021 PolarHBondContact O-N 3.12Å; N1017-N1021 PolarHBondContact O-ND2 2.87Å; D1018-N1021 CarbonylContact O-C 3.59Å; D1018-N1021 WeakPolarHBondContact O-CB 3.17Å; D1018-N1021 PolarHBondContact O-N 2.64Å; D1018-N1021 VanDerWaalsContact O-N 3.13Å; S1019-N1021 VanDerWaalsContact C-N 3.33Å; N1021-R1024 PolarHBondContact O-N 2.65Å; N1021-K1025 WeakPolarHBondContact O-CG 3.35Å; N1021-K1025 PolarHBondContact O-N 3.21Å
1022N79Confident76.3Confident82 Ų8268.8 Ų68.844%0.43933%0.331SS..Hα-helixtrans-68.5-46.3172.4-66.5-26.3000111.4D1018 S1019 R1024 K1025 D1026D1018-N1022 PolarHBondContact O-N 2.81Å; D1018-N1022 PolarHBondContact O-ND2 3.04Å; S1019-N1022 PolarHBondContact O-N 3.11Å; N1022-R1024 VanDerWaalsContact C-N 3.28Å; N1022-R1024 PolarHBondContact O-N 3.36Å; N1022-K1025 PolarHBondContact O-N 3.3Å; N1022-K1025 VanDerWaalsContact O-N 3.1Å; N1022-D1026 PolarHBondContact O-N 3.49Å
1023L79.1Confident75.9Confident0 Ų076.7 Ų76.70%037%0.366CS..Hα-helixtrans-56.1-42.3172.5178.866.3000111.3I1011 S1019 L1020 K1025 V1027 L1039 T1047 I1048 T1051I1011-L1023 HydrophobicContact CG2-CD2 4.14Å; S1019-L1023 WeakPolarHBondContact O-CB 3.5Å; S1019-L1023 PolarHBondContact O-N 3.14Å; L1020-L1023 HydrophobicContact CD2-CD2 4.46Å; L1023-K1025 VanDerWaalsContact C-N 3.33Å; L1023-K1025 PolarHBondContact O-N 2.64Å; L1023-V1027 HydrophobicContact CD1-CG2 3.66Å; L1023-V1027 HydrophobicContact CG-CG2 4.29Å; L1023-V1027 WeakPolarHBondContact O-CB 3.43Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.5Å; L1023-V1027 PolarHBondContact O-N 3.12Å; L1023-L1039 HydrophobicContact CD2-CD1 4.35Å; L1023-L1039 HydrophobicContact CD2-CD2 4.41Å; L1023-L1039 HydrophobicContact CG-CD1 4.5Å; L1023-T1047 HydrophobicContact CD1-CG2 3.82Å; L1023-I1048 HydrophobicContact CD1-CG1 4.21Å; L1023-T1051 HydrophobicContact CB-CG2 4.42Å
1024R80.3Confident75.6Confident61 Ų6178.7 Ų78.723%0.2337%0.373CS..Hα-helixtrans-59.8-40.3176.4-175.9-172175.9-163.7-11.2112.9L1020 N1021 N1022 N1028 L1029 D1030 W1035L1020-R1024 WeakPolarHBondContact O-CB 3.28Å; L1020-R1024 PolarHBondContact O-N 2.93Å; N1021-R1024 PolarHBondContact O-N 2.65Å; N1022-R1024 VanDerWaalsContact C-N 3.28Å; N1022-R1024 PolarHBondContact O-N 3.36Å; R1024-N1028 PolarHBondContact O-N 3.14Å; R1024-L1029 HydrophobicContact CG-CB 3.9Å; R1024-L1029 PolarHBondContact O-N 3.38Å; R1024-D1030 IonicContact CZ-OD1 3.73Å; R1024-D1030 IonicContact NE-OD1 3.91Å; R1024-D1030 PolarHBondContact NH2-O 2.83Å; R1024-W1035 HydrophobicContact CB-CD2 4.43Å; R1024-W1035 HydrophobicContact CB-CE3 4.45Å; R1024-W1035 HydrophobicContact CB-CH2 4.26Å; R1024-W1035 HydrophobicContact CB-CZ2 4.3Å; R1024-W1035 HydrophobicContact CB-CZ3 4.37Å; R1024-W1035 HydrophobicContact CG-CD2 4.03Å; R1024-W1035 HydrophobicContact CG-CE3 4.37Å; R1024-W1035 HydrophobicContact CG-CG 4.19Å
1025K79.6Confident75.6Confident123 Ų12375 Ų7554%0.53536%0.358SS..Hα-helixtrans-70.8-52.1176.8-70.7169.4-178172.10111.8N1021 N1022 L1023 V1027 N1028 D1030N1021-K1025 WeakPolarHBondContact O-CG 3.35Å; N1021-K1025 PolarHBondContact O-N 3.21Å; N1022-K1025 PolarHBondContact O-N 3.3Å; N1022-K1025 VanDerWaalsContact O-N 3.1Å; L1023-K1025 VanDerWaalsContact C-N 3.33Å; L1023-K1025 PolarHBondContact O-N 2.64Å; K1025-V1027 PolarHBondContact O-N 2.95Å; K1025-N1028 WeakPolarHBondContact O-CA 3.36Å; K1025-N1028 PolarHBondContact O-N 2.97Å; K1025-D1030 WeakPolarHBondContact CG-OD2 3.47Å
1026D79.8Confident75.5Confident83 Ų8381 Ų8144%0.44438%0.38SS..Hα-helixtrans-59.4-29.7-180-78.816.5000112N1022 T1047 K1050N1022-D1026 PolarHBondContact O-N 3.49Å; D1026-T1047 HydrophobicContact CB-CG2 3.44Å; D1026-T1047 VanDerWaalsContact CB-CG2 3.44Å; D1026-K1050 IonicContact OD2-NZ 3.18Å; D1026-K1050 PolarHBondContact OD2-NZ 3.22Å
1027V74.3Confident75.2Confident9 Ų981.3 Ų81.36%0.05539%0.387CS..THydrogen-bonded Turntrans-946.6178.3-179.80000112.7L1023 K1025 L1029 L1039 D1044 T1047 R1115L1023-V1027 HydrophobicContact CD1-CG2 3.66Å; L1023-V1027 HydrophobicContact CG-CG2 4.29Å; L1023-V1027 WeakPolarHBondContact O-CB 3.43Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.5Å; L1023-V1027 PolarHBondContact O-N 3.12Å; K1025-V1027 PolarHBondContact O-N 2.95Å; V1027-L1029 VanDerWaalsContact C-N 3.27Å; V1027-L1029 HydrophobicContact CB-CD1 4.34Å; V1027-L1029 HydrophobicContact CB-CG 4.49Å; V1027-L1029 HydrophobicContact CG1-CD1 3.7Å; V1027-L1029 HydrophobicContact CG1-CG 3.94Å; V1027-L1029 PolarHBondContact O-N 3.38Å; V1027-L1039 HydrophobicContact CG1-CD1 4.17Å; V1027-D1044 HydrophobicContact CG1-CB 4.15Å; V1027-D1044 VanDerWaalsContact CG1-OD1 3.22Å; V1027-D1044 WeakPolarHBondContact CG1-OD1 3.48Å; V1027-D1044 WeakPolarHBondContact CG1-OD2 3.33Å; V1027-D1044 HydrophobicContact CG2-CB 4.21Å; V1027-T1047 HydrophobicContact CG2-CG2 3.75Å; V1027-R1115 PolarHBondContact O-NH1 3.08Å
1028N76.2Confident75.1Confident81 Ų8179.6 Ų79.643%0.43337%0.374SS..THydrogen-bonded Turntrans5439177-158.8-11.1000113.6R1024 K1025R1024-N1028 PolarHBondContact O-N 3.14Å; K1025-N1028 WeakPolarHBondContact O-CA 3.36Å; K1025-N1028 PolarHBondContact O-N 2.97Å
1029L76.4Confident75.2Confident0 Ų074.2 Ų74.20%035%0.345CS..  trans-97.23.3-177.4-80.5175.4000113.9R1024 V1027 K1031 Y1032 W1035 K1038 L1039R1024-L1029 HydrophobicContact CG-CB 3.9Å; R1024-L1029 PolarHBondContact O-N 3.38Å; V1027-L1029 VanDerWaalsContact C-N 3.27Å; V1027-L1029 HydrophobicContact CB-CD1 4.34Å; V1027-L1029 HydrophobicContact CB-CG 4.49Å; V1027-L1029 HydrophobicContact CG1-CD1 3.7Å; V1027-L1029 HydrophobicContact CG1-CG 3.94Å; V1027-L1029 PolarHBondContact O-N 3.38Å; L1029-K1031 PolarHBondContact O-N 3.02Å; L1029-K1031 VanDerWaalsContact O-N 3.16Å; L1029-Y1032 HydrophobicContact CD2-CD2 3.57Å; L1029-Y1032 HydrophobicContact CD2-CE2 3.95Å; L1029-Y1032 PolarHBondContact O-N 2.97Å; L1029-W1035 HydrophobicContact CB-CB 4Å; L1029-W1035 HydrophobicContact CD1-CB 4.46Å; L1029-W1035 HydrophobicContact CD1-CE3 4.03Å; L1029-K1038 HydrophobicContact CD2-CB 3.58Å; L1029-L1039 HydrophobicContact CD1-CB 4.44Å; L1029-L1039 HydrophobicContact CD1-CD1 4.26Å
1030D71.5Confident75.4Confident73 Ų7373.5 Ų73.539%0.3934%0.34SS..THydrogen-bonded Turntrans-55.7-35.1-178.7-68.8-41.6000113.3R1024 K1025 Y1032R1024-D1030 IonicContact CZ-OD1 3.73Å; R1024-D1030 IonicContact NE-OD1 3.91Å; R1024-D1030 PolarHBondContact NH2-O 2.83Å; K1025-D1030 WeakPolarHBondContact CG-OD2 3.47Å; D1030-Y1032 PolarHBondContact O-N 3.48Å; D1030-Y1032 VanDerWaalsContact O-N 3.13Å
1031K72.5Confident75.5Confident171 Ų17173.7 Ų73.774%0.74334%0.341SS*.THydrogen-bonded Turntrans-62.9-15179-59.1178.7-174.8176.30114.4L1029L1029-K1031 PolarHBondContact O-N 3.02Å; L1029-K1031 VanDerWaalsContact O-N 3.16Å
1032Y70.6Confident75.6Confident93 Ų9372.5 Ų72.537%0.36533%0.331SS..  trans-108.5115.1-173.8-58.8-79.1000113L1029 D1030 K1034 W1035 K1038L1029-Y1032 HydrophobicContact CD2-CD2 3.57Å; L1029-Y1032 HydrophobicContact CD2-CE2 3.95Å; L1029-Y1032 PolarHBondContact O-N 2.97Å; D1030-Y1032 PolarHBondContact O-N 3.48Å; D1030-Y1032 VanDerWaalsContact O-N 3.13Å; Y1032-K1034 PolarHBondContact O-N 3.32Å; Y1032-W1035 WeakPolarHBondContact O-CB 3.45Å; Y1032-W1035 PolarHBondContact O-N 3.44Å; Y1032-K1038 HydrophobicContact CD1-CG 4.46Å; Y1032-K1038 HydrophobicContact CG-CG 4.36Å
1033K69.4Low75.5Confident217 Ų21771 Ų7194%0.94332%0.322SS*.THydrogen-bonded Turntrans-58.1-31.8172.5-76-174.4175.8-1800113.4
1034K71.5Confident75.5Confident161 Ų16171.5 Ų71.570%0.733%0.325SS*.THydrogen-bonded Turntrans-110.455.6174.2-67.3-174.8178.7179.90110.9Y1032 R1036 S1037Y1032-K1034 PolarHBondContact O-N 3.32Å; K1034-R1036 VanDerWaalsContact C-N 3.26Å; K1034-R1036 PolarHBondContact O-N 3.27Å; K1034-S1037 PolarHBondContact O-OG 2.99Å
1035W74.7Confident75.7Confident21 Ų2174.5 Ų74.58%0.0834%0.337CS..G310 helixtrans-63.8-26.6-176.669.5-91.9000114.7F1012 L1020 R1024 L1029 Y1032 S1037 K1038 L1039F1012-W1035 AromaticContact CE1-CH2 3.64Å; F1012-W1035 HydrophobicContact CE1-CH2 3.64Å; F1012-W1035 HydrophobicContact CE1-CZ2 4.23Å; F1012-W1035 AromaticContact CE1-CZ3 3.91Å; F1012-W1035 HydrophobicContact CE1-CZ3 3.91Å; F1012-W1035 HydrophobicContact CZ-CH2 4.24Å; F1012-W1035 HydrophobicContact CZ-CZ3 4.07Å; L1020-W1035 HydrophobicContact CB-CH2 4.34Å; L1020-W1035 HydrophobicContact CD2-CH2 4.32Å; R1024-W1035 HydrophobicContact CB-CD2 4.43Å; R1024-W1035 HydrophobicContact CB-CE3 4.45Å; R1024-W1035 HydrophobicContact CB-CH2 4.26Å; R1024-W1035 HydrophobicContact CB-CZ2 4.3Å; R1024-W1035 HydrophobicContact CB-CZ3 4.37Å; R1024-W1035 HydrophobicContact CG-CD2 4.03Å; R1024-W1035 HydrophobicContact CG-CE3 4.37Å; R1024-W1035 HydrophobicContact CG-CG 4.19Å; L1029-W1035 HydrophobicContact CB-CB 4Å; L1029-W1035 HydrophobicContact CD1-CB 4.46Å; L1029-W1035 HydrophobicContact CD1-CE3 4.03Å; Y1032-W1035 WeakPolarHBondContact O-CB 3.45Å; Y1032-W1035 PolarHBondContact O-N 3.44Å; W1035-S1037 PolarHBondContact O-N 3.23Å; W1035-S1037 VanDerWaalsContact O-N 3.17Å; W1035-K1038 WeakPolarHBondContact O-CA 3.31Å; W1035-K1038 WeakPolarHBondContact O-CB 3.32Å; W1035-K1038 PolarHBondContact O-N 2.92Å; W1035-L1039 PolarHBondContact O-N 2.96Å
1036R72.6Confident75.7Confident138 Ų13871.3 Ų71.352%0.52133%0.333SS..G310 helixtrans-57.1-32.2-178.8-63.9-163.1168.6101.3-2.9113.8F1012 K1034 K1038F1012-R1036 HydrophobicContact CE1-CG 3.88Å; F1012-R1036 HydrophobicContact CE2-CB 3.76Å; F1012-R1036 HydrophobicContact CE2-CG 3.86Å; F1012-R1036 HydrophobicContact CZ-CB 3.63Å; F1012-R1036 HydrophobicContact CZ-CG 3.41Å; F1012-R1036 VanDerWaalsContact CZ-CG 3.41Å; K1034-R1036 VanDerWaalsContact C-N 3.26Å; K1034-R1036 PolarHBondContact O-N 3.27Å; R1036-K1038 VanDerWaalsContact C-N 3.3Å
1037S68.7Low75.8Confident72 Ų7268.9 Ų68.950%0.50332%0.321SS..G310 helixtrans-93.823.217664.80000113.1K1034 W1035K1034-S1037 PolarHBondContact O-OG 2.99Å; W1035-S1037 PolarHBondContact O-N 3.23Å; W1035-S1037 VanDerWaalsContact O-N 3.17Å
1038K73.1Confident76.2Confident80 Ų8068.5 Ų68.535%0.34832%0.319SS..THydrogen-bonded Turntrans-130.2-8.2178.4-65-65.4-174-178.50113.3L1029 Y1032 W1035 R1036L1029-K1038 HydrophobicContact CD2-CB 3.58Å; Y1032-K1038 HydrophobicContact CD1-CG 4.46Å; Y1032-K1038 HydrophobicContact CG-CG 4.36Å; W1035-K1038 WeakPolarHBondContact O-CA 3.31Å; W1035-K1038 WeakPolarHBondContact O-CB 3.32Å; W1035-K1038 PolarHBondContact O-N 2.92Å; R1036-K1038 VanDerWaalsContact C-N 3.3Å
1039L78.3Confident76.5Confident1 Ų166.8 Ų66.81%0.00531%0.31CS..  trans-69131.2167.4-168.274.4000108.7I1011 L1023 V1027 L1029 W1035 D1044 I1048I1011-L1039 HydrophobicContact CD1-CD2 4.06Å; I1011-L1039 HydrophobicContact CG2-CD2 4.13Å; L1023-L1039 HydrophobicContact CD2-CD1 4.35Å; L1023-L1039 HydrophobicContact CD2-CD2 4.41Å; L1023-L1039 HydrophobicContact CG-CD1 4.5Å; V1027-L1039 HydrophobicContact CG1-CD1 4.17Å; L1029-L1039 HydrophobicContact CD1-CB 4.44Å; L1029-L1039 HydrophobicContact CD1-CD1 4.26Å; W1035-L1039 PolarHBondContact O-N 2.96Å; L1039-D1044 HydrophobicContact CD1-CB 4.2Å; L1039-D1044 WeakPolarHBondContact CD1-OD2 3.47Å; L1039-I1048 HydrophobicContact CD1-CD1 4.43Å; L1039-I1048 HydrophobicContact CD2-CD1 4.42Å; L1039-I1048 HydrophobicContact CG-CD1 4.35Å
1040C79.7Confident76.8Confident2 Ų271.1 Ų71.11%0.01433%0.329CS..  trans-135.9124-174.1174.60000109.7Y1042 Q1043 D1044C1040-Y1042 VanDerWaalsContact C-N 3.28Å; C1040-Y1042 PolarHBondContact O-N 2.94Å; C1040-Q1043 HydrophobicContact CB-CB 4.3Å; C1040-Q1043 HydrophobicContact CB-CG 4.32Å; C1040-Q1043 PolarHBondContact O-N 3.43Å; C1040-Q1043 VanDerWaalsContact O-N 3.11Å; C1040-D1044 PolarHBondContact N-OD2 3.39Å; C1040-D1044 WeakPolarHBondContact O-CB 3.42Å; C1040-D1044 PolarHBondContact O-N 2.81Å
1041W82.5Confident77.2Confident12 Ų1267.8 Ų67.85%0.04531%0.311CS..Hα-helixtrans-55.2-47.2-177.2171.8-109.5000111.1E1004 L1007 Q1043 D1044 Y1045 I1048 L1049 F1064 T1068 L1071E1004-W1041 HydrophobicContact CG-CB 4.42Å; E1004-W1041 PolarHBondContact OE1-N 2.82Å; L1007-W1041 HydrophobicContact CD1-CD2 4.21Å; L1007-W1041 HydrophobicContact CD1-CE3 3.93Å; L1007-W1041 HydrophobicContact CD1-CZ3 4.34Å; L1007-W1041 HydrophobicContact CD2-CB 4.45Å; L1007-W1041 HydrophobicContact CD2-CE3 4.02Å; W1041-Q1043 PolarHBondContact O-N 3.42Å; W1041-Q1043 VanDerWaalsContact O-N 3.17Å; W1041-D1044 PolarHBondContact O-N 2.83Å; W1041-Y1045 WeakPolarHBondContact O-CB 3.43Å; W1041-Y1045 PolarHBondContact O-N 3.43Å; W1041-I1048 HydrophobicContact CE3-CD1 4.17Å; W1041-I1048 HydrophobicContact CZ3-CG2 4.18Å; W1041-L1049 HydrophobicContact CH2-CD1 4.46Å; W1041-L1049 HydrophobicContact CH2-CG 4.36Å; W1041-F1064 AromaticContact CH2-CE1 3.96Å; W1041-F1064 HydrophobicContact CH2-CE1 3.96Å; W1041-F1064 HydrophobicContact CH2-CZ 4.3Å; W1041-F1064 AromaticContact CZ3-CE1 3.98Å; W1041-F1064 HydrophobicContact CZ3-CE1 3.98Å; W1041-F1064 AromaticContact CZ3-CZ 3.87Å; W1041-F1064 HydrophobicContact CZ3-CZ 3.87Å; W1041-T1068 HydrophobicContact CH2-CG2 3.41Å; W1041-T1068 VanDerWaalsContact CH2-CG2 3.41Å; W1041-T1068 HydrophobicContact CZ2-CG2 3.36Å; W1041-T1068 HydrophobicContact CZ3-CG2 4.02Å; W1041-L1071 HydrophobicContact CB-CD1 4.23Å; W1041-L1071 HydrophobicContact CD2-CD1 4.42Å; W1041-L1071 HydrophobicContact CG-CD1 3.83Å
1042Y77.6Confident77.7Confident42 Ų4259.7 Ų59.717%0.16528%0.275CS..Hα-helixtrans-69.6-11.8-175.9-58.4-80.8000115C1040 L1071 Q1075 A1108 P1109 C1110C1040-Y1042 VanDerWaalsContact C-N 3.28Å; C1040-Y1042 PolarHBondContact O-N 2.94Å; Y1042-L1071 PolarHBondContact OH-O 3.24Å; Y1042-Q1075 HydrophobicContact CE1-CB 3.88Å; Y1042-Q1075 HydrophobicContact CE1-CG 4.29Å; Y1042-A1108 HydrophobicContact CD2-CB 4.47Å; Y1042-P1109 HydrophobicContact CD1-CG 3.91Å; Y1042-P1109 HydrophobicContact CD2-CB 4.42Å; Y1042-P1109 HydrophobicContact CD2-CG 4.12Å; Y1042-P1109 HydrophobicContact CE1-CB 4.21Å; Y1042-P1109 HydrophobicContact CE1-CG 3.84Å; Y1042-P1109 HydrophobicContact CE2-CB 3.89Å; Y1042-P1109 HydrophobicContact CE2-CG 4.02Å; Y1042-P1109 HydrophobicContact CG-CG 4.04Å; Y1042-C1110 HydrophobicContact CE2-CB 4.06Å
1043Q76.7Confident78.1Confident51 Ų5162 Ų6224%0.23829%0.288CS..Hα-helixtrans-101.9-40.6170.8-65.2-161.3-73.100111.9C1040 W1041 Y1114 R1115C1040-Q1043 HydrophobicContact CB-CB 4.3Å; C1040-Q1043 HydrophobicContact CB-CG 4.32Å; C1040-Q1043 PolarHBondContact O-N 3.43Å; C1040-Q1043 VanDerWaalsContact O-N 3.11Å; W1041-Q1043 PolarHBondContact O-N 3.42Å; W1041-Q1043 VanDerWaalsContact O-N 3.17Å; Q1043-Y1114 HydrophobicContact CG-CD1 3.76Å; Q1043-Y1114 HydrophobicContact CG-CE1 4.17Å; Q1043-R1115 VanDerWaalsContact NE2-N 3.19Å; Q1043-R1115 PolarHBondContact NE2-O 2.99Å; Q1043-R1115 VanDerWaalsContact OE1-N 3.17Å
1044D80.5Confident78.6Confident11 Ų1157 Ų576%0.05927%0.268CS..Hα-helixtrans-107.31.5-161.1-50.4-36.2000113.6V1027 L1039 C1040 W1041 A1046 T1047 I1048 R1115V1027-D1044 HydrophobicContact CG1-CB 4.15Å; V1027-D1044 VanDerWaalsContact CG1-OD1 3.22Å; V1027-D1044 WeakPolarHBondContact CG1-OD1 3.48Å; V1027-D1044 WeakPolarHBondContact CG1-OD2 3.33Å; V1027-D1044 HydrophobicContact CG2-CB 4.21Å; L1039-D1044 HydrophobicContact CD1-CB 4.2Å; L1039-D1044 WeakPolarHBondContact CD1-OD2 3.47Å; C1040-D1044 PolarHBondContact N-OD2 3.39Å; C1040-D1044 WeakPolarHBondContact O-CB 3.42Å; C1040-D1044 PolarHBondContact O-N 2.81Å; W1041-D1044 PolarHBondContact O-N 2.83Å; D1044-A1046 PolarHBondContact O-N 3.15Å; D1044-A1046 VanDerWaalsContact O-N 3.07Å; D1044-T1047 PolarHBondContact O-N 3.26Å; D1044-I1048 HydrophobicContact CB-CD1 3.86Å; D1044-I1048 HydrophobicContact CB-CG1 4.17Å; D1044-I1048 WeakPolarHBondContact O-CG1 3.41Å; D1044-I1048 PolarHBondContact O-N 3.19Å; D1044-R1115 IonicContact OD1-CZ 3.38Å; D1044-R1115 IonicContact OD1-NH1 3.8Å; D1044-R1115 PolarHBondContact OD1-NH1 3.35Å; D1044-R1115 IonicContact OD1-NH2 3.94Å; D1044-R1115 PolarHBondContact OD1-NH2 2.88Å; D1044-R1115 IonicContact OD2-CZ 2.71Å; D1044-R1115 IonicContact OD2-NH1 2.73Å; D1044-R1115 IonicContact OD2-NH2 3.17Å; D1044-R1115 PolarHBondContact OD2-NH2 3.38Å
1045Y82.9Confident78.6Confident124 Ų12451.4 Ų51.449%0.48625%0.245SC..Hα-helixtrans-49.4-40.6-173.278.7-77000113.5W1041 T1047 I1048 L1049W1041-Y1045 WeakPolarHBondContact O-CB 3.43Å; W1041-Y1045 PolarHBondContact O-N 3.43Å; Y1045-T1047 PolarHBondContact O-N 3.13Å; Y1045-I1048 PolarHBondContact O-N 3.49Å; Y1045-L1049 HydrophobicContact CD2-CD1 4.02Å; Y1045-L1049 VanDerWaalsContact O-CB 3.28Å; Y1045-L1049 WeakPolarHBondContact O-CB 3.48Å; Y1045-L1049 WeakPolarHBondContact O-CG 3.14Å; Y1045-L1049 PolarHBondContact O-N 3.47Å
1046A81.2Confident78.6Confident56 Ų5657.4 Ų57.446%0.46328%0.279SS..Hα-helixtrans-63.9-42.3-178.800000111.6D1044 K1050D1044-A1046 PolarHBondContact O-N 3.15Å; D1044-A1046 VanDerWaalsContact O-N 3.07Å; A1046-K1050 WeakPolarHBondContact O-CB 3.11Å; A1046-K1050 PolarHBondContact O-N 2.75Å
1047T81.7Confident78.8Confident31 Ų3153.2 Ų53.219%0.1926%0.263CS..Hα-helixtrans-74.1-41.7177.9-41.30000111.4L1023 D1026 V1027 D1044 Y1045 L1049 K1050 T1051L1023-T1047 HydrophobicContact CD1-CG2 3.82Å; D1026-T1047 HydrophobicContact CB-CG2 3.44Å; D1026-T1047 VanDerWaalsContact CB-CG2 3.44Å; V1027-T1047 HydrophobicContact CG2-CG2 3.75Å; D1044-T1047 PolarHBondContact O-N 3.26Å; Y1045-T1047 PolarHBondContact O-N 3.13Å; T1047-L1049 VanDerWaalsContact C-N 3.33Å; T1047-L1049 PolarHBondContact O-N 3.5Å; T1047-K1050 WeakPolarHBondContact O-CB 3.45Å; T1047-K1050 PolarHBondContact O-N 2.91Å; T1047-K1050 VanDerWaalsContact O-N 3.09Å; T1047-T1051 PolarHBondContact O-N 3.22Å; T1047-T1051 PolarHBondContact O-OG1 2.86Å; T1047-T1051 VanDerWaalsContact O-OG1 3.09Å
1048I82.4Confident78.8Confident1 Ų152.8 Ų52.81%0.00526%0.259CS..Hα-helixtrans-57.4-46.4174.3-67.3166.9000110.6I1011 L1023 L1039 W1041 D1044 Y1045 K1050 T1051 F1052 F1064I1011-I1048 HydrophobicContact CD1-CD1 3.97Å; I1011-I1048 HydrophobicContact CD1-CG1 4.22Å; I1011-I1048 HydrophobicContact CD1-CG2 3.71Å; I1011-I1048 HydrophobicContact CG1-CG2 4.29Å; L1023-I1048 HydrophobicContact CD1-CG1 4.21Å; L1039-I1048 HydrophobicContact CD1-CD1 4.43Å; L1039-I1048 HydrophobicContact CD2-CD1 4.42Å; L1039-I1048 HydrophobicContact CG-CD1 4.35Å; W1041-I1048 HydrophobicContact CE3-CD1 4.17Å; W1041-I1048 HydrophobicContact CZ3-CG2 4.18Å; D1044-I1048 HydrophobicContact CB-CD1 3.86Å; D1044-I1048 HydrophobicContact CB-CG1 4.17Å; D1044-I1048 WeakPolarHBondContact O-CG1 3.41Å; D1044-I1048 PolarHBondContact O-N 3.19Å; Y1045-I1048 PolarHBondContact O-N 3.49Å; I1048-K1050 VanDerWaalsContact C-N 3.32Å; I1048-K1050 PolarHBondContact O-N 3.37Å; I1048-T1051 PolarHBondContact O-N 2.92Å; I1048-F1052 HydrophobicContact CG2-CD2 3.84Å; I1048-F1052 HydrophobicContact CG2-CE2 3.75Å; I1048-F1052 VanDerWaalsContact O-CD2 3.32Å; I1048-F1052 WeakPolarHBondContact O-CD2 2.93Å; I1048-F1052 PolarHBondContact O-N 3.36Å; I1048-F1064 HydrophobicContact CG2-CZ 4.32Å
1049L81.6Confident78.8Confident46 Ų4650 Ų5024%0.24125%0.247CC..Hα-helixtrans-67-30.3176.6-72.2171.6000113.1W1041 Y1045 T1047 K1053 W1057 F1064W1041-L1049 HydrophobicContact CH2-CD1 4.46Å; W1041-L1049 HydrophobicContact CH2-CG 4.36Å; Y1045-L1049 HydrophobicContact CD2-CD1 4.02Å; Y1045-L1049 VanDerWaalsContact O-CB 3.28Å; Y1045-L1049 WeakPolarHBondContact O-CB 3.48Å; Y1045-L1049 WeakPolarHBondContact O-CG 3.14Å; Y1045-L1049 PolarHBondContact O-N 3.47Å; T1047-L1049 VanDerWaalsContact C-N 3.33Å; T1047-L1049 PolarHBondContact O-N 3.5Å; L1049-K1053 VanDerWaalsContact O-CG 3.27Å; L1049-K1053 WeakPolarHBondContact O-CG 3.47Å; L1049-K1053 PolarHBondContact O-N 3.07Å; L1049-W1057 HydrophobicContact CD2-CH2 3.97Å; L1049-W1057 HydrophobicContact CD2-CZ2 4.21Å; L1049-F1064 HydrophobicContact CD2-CD1 4.38Å; L1049-F1064 HydrophobicContact CD2-CE1 3.88Å
1050K82.5Confident78.6Confident91 Ų9153.5 Ų53.540%0.39627%0.269SS..Hα-helixtrans-66.6-50.7172.3180-167.6159.5-158.50110.1D1026 A1046 T1047 I1048 F1052 K1053 E1054D1026-K1050 IonicContact OD2-NZ 3.18Å; D1026-K1050 PolarHBondContact OD2-NZ 3.22Å; A1046-K1050 WeakPolarHBondContact O-CB 3.11Å; A1046-K1050 PolarHBondContact O-N 2.75Å; T1047-K1050 WeakPolarHBondContact O-CB 3.45Å; T1047-K1050 PolarHBondContact O-N 2.91Å; T1047-K1050 VanDerWaalsContact O-N 3.09Å; I1048-K1050 VanDerWaalsContact C-N 3.32Å; I1048-K1050 PolarHBondContact O-N 3.37Å; K1050-F1052 VanDerWaalsContact C-N 3.34Å; K1050-F1052 PolarHBondContact O-N 3.48Å; K1050-K1053 WeakPolarHBondContact O-CB 3.39Å; K1050-K1053 PolarHBondContact O-N 3.19Å; K1050-E1054 WeakPolarHBondContact CE-OE1 2.99Å; K1050-E1054 IonicContact NZ-OE1 3.73Å; K1050-E1054 WeakPolarHBondContact O-CG 3.41Å; K1050-E1054 PolarHBondContact O-N 2.87Å
1051T81Confident78.5Confident3 Ų358.2 Ų58.22%0.01829%0.291CS..Hα-helixtrans-61.6-37.1179.4-500000112.8I1015 L1023 T1047 I1048 E1054 N1055I1015-T1051 HydrophobicContact CD1-CG2 4.1Å; I1015-T1051 HydrophobicContact CG2-CG2 4.11Å; L1023-T1051 HydrophobicContact CB-CG2 4.42Å; T1047-T1051 PolarHBondContact O-N 3.22Å; T1047-T1051 PolarHBondContact O-OG1 2.86Å; T1047-T1051 VanDerWaalsContact O-OG1 3.09Å; I1048-T1051 PolarHBondContact O-N 2.92Å; T1051-E1054 PolarHBondContact O-N 2.79Å; T1051-N1055 WeakPolarHBondContact O-CB 3.45Å; T1051-N1055 PolarHBondContact O-N 2.75Å; T1051-N1055 VanDerWaalsContact O-N 3.08Å; T1051-N1055 PolarHBondContact O-ND2 3.26Å
1052F81.8Confident78.3Confident0 Ų063.6 Ų63.60%032%0.321CS..Hα-helixtrans-69.1-32173.5-82.4-60.6000113.9I1011 I1015 I1048 K1050 N1056 W1057 F1059 F1064I1011-F1052 HydrophobicContact CG1-CE2 3.77Å; I1011-F1052 HydrophobicContact CG1-CZ 3.8Å; I1015-F1052 HydrophobicContact CD1-CD1 4.13Å; I1015-F1052 HydrophobicContact CD1-CE1 3.76Å; I1015-F1052 HydrophobicContact CD1-CE2 4.25Å; I1015-F1052 HydrophobicContact CD1-CZ 3.83Å; I1015-F1052 HydrophobicContact CG1-CD1 4.25Å; I1015-F1052 HydrophobicContact CG1-CE1 3.72Å; I1015-F1052 HydrophobicContact CG1-CZ 4.16Å; I1048-F1052 HydrophobicContact CG2-CD2 3.84Å; I1048-F1052 HydrophobicContact CG2-CE2 3.75Å; I1048-F1052 VanDerWaalsContact O-CD2 3.32Å; I1048-F1052 WeakPolarHBondContact O-CD2 2.93Å; I1048-F1052 PolarHBondContact O-N 3.36Å; K1050-F1052 VanDerWaalsContact C-N 3.34Å; K1050-F1052 PolarHBondContact O-N 3.48Å; F1052-N1056 PolarHBondContact O-N 3.01Å; F1052-W1057 HydrophobicContact CB-CD2 4.14Å; F1052-W1057 HydrophobicContact CB-CE3 4.21Å; F1052-W1057 HydrophobicContact CB-CH2 3.87Å; F1052-W1057 HydrophobicContact CB-CZ2 3.79Å; F1052-W1057 HydrophobicContact CB-CZ3 4.07Å; F1052-W1057 HydrophobicContact CD2-CH2 4.46Å; F1052-W1057 HydrophobicContact CD2-CZ3 4.5Å; F1052-W1057 HydrophobicContact CG-CE3 4.47Å; F1052-W1057 HydrophobicContact CG-CH2 4.3Å; F1052-W1057 HydrophobicContact CG-CZ3 4.18Å; F1052-W1057 PolarHBondContact O-N 3.2Å; F1052-W1057 VanDerWaalsContact O-N 3.16Å; F1052-F1059 HydrophobicContact CD1-CE1 4.46Å; F1052-F1059 AromaticContact CE1-CE1 3.76Å; F1052-F1059 HydrophobicContact CE1-CE1 3.76Å; F1052-F1059 HydrophobicContact CE1-CZ 4.17Å; F1052-F1059 HydrophobicContact CZ-CE1 4.2Å; F1052-F1059 HydrophobicContact CZ-CZ 4.23Å; F1052-F1064 HydrophobicContact CD2-CE2 4.46Å; F1052-F1064 HydrophobicContact CD2-CZ 4.26Å; F1052-F1064 AromaticContact CE2-CE2 3.78Å; F1052-F1064 HydrophobicContact CE2-CE2 3.78Å; F1052-F1064 AromaticContact CE2-CZ 3.9Å; F1052-F1064 HydrophobicContact CE2-CZ 3.9Å; F1052-F1064 HydrophobicContact CZ-CE2 4.33Å
1053K79.6Confident78.2Confident142 Ų14263.9 Ų63.962%0.61732%0.324SS*.Hα-helixtrans-68.9-41.2172.3-74.7171.4-179.4-177.80111.9L1049 K1050 N1055 N1056L1049-K1053 VanDerWaalsContact O-CG 3.27Å; L1049-K1053 WeakPolarHBondContact O-CG 3.47Å; L1049-K1053 PolarHBondContact O-N 3.07Å; K1050-K1053 WeakPolarHBondContact O-CB 3.39Å; K1050-K1053 PolarHBondContact O-N 3.19Å; K1053-N1055 PolarHBondContact O-N 3.31Å; K1053-N1056 PolarHBondContact O-N 3.09Å
1054E79.6Confident78.4Confident112 Ų11261.5 Ų61.552%0.52331%0.312SS..Hα-helixtrans-65.3-29.9177.2-70.9166.5164.200111.8K1050 T1051K1050-E1054 WeakPolarHBondContact CE-OE1 2.99Å; K1050-E1054 IonicContact NZ-OE1 3.73Å; K1050-E1054 WeakPolarHBondContact O-CG 3.41Å; K1050-E1054 PolarHBondContact O-N 2.87Å; T1051-E1054 PolarHBondContact O-N 2.79Å
1055N72.9Confident78.5Confident43 Ų4363.3 Ų63.323%0.2332%0.322CS..THydrogen-bonded Turntrans-96.424.2177.3-72.8-70.4000115D1016 S1019 T1051 K1053 W1057D1016-N1055 PolarHBondContact OD1-OD1 2.99Å; D1016-N1055 VanDerWaalsContact OD1-OD1 3.08Å; S1019-N1055 VanDerWaalsContact CB-ND2 3.27Å; S1019-N1055 WeakPolarHBondContact CB-ND2 3.2Å; S1019-N1055 PolarHBondContact OG-ND2 3.37Å; S1019-N1055 PolarHBondContact OG-OD1 2.9Å; S1019-N1055 VanDerWaalsContact OG-OD1 3.13Å; T1051-N1055 WeakPolarHBondContact O-CB 3.45Å; T1051-N1055 PolarHBondContact O-N 2.75Å; T1051-N1055 VanDerWaalsContact O-N 3.08Å; T1051-N1055 PolarHBondContact O-ND2 3.26Å; K1053-N1055 PolarHBondContact O-N 3.31Å; N1055-W1057 PolarHBondContact O-N 3.26Å
1056N74.7Confident78.5Confident147 Ų14761 Ų6179%0.78632%0.318SS*.THydrogen-bonded Turntrans54.124.3171.8-67.7-42.7000116.6F1052 K1053F1052-N1056 PolarHBondContact O-N 3.01Å; K1053-N1056 PolarHBondContact O-N 3.09Å
1057W75.2Confident78.5Confident51 Ų5158.4 Ų58.419%0.19330%0.296CS..  trans49.486.6179.2-71.891000115.3L1049 F1052 N1055 F1059 Q1061 F1064L1049-W1057 HydrophobicContact CD2-CH2 3.97Å; L1049-W1057 HydrophobicContact CD2-CZ2 4.21Å; F1052-W1057 HydrophobicContact CB-CD2 4.14Å; F1052-W1057 HydrophobicContact CB-CE3 4.21Å; F1052-W1057 HydrophobicContact CB-CH2 3.87Å; F1052-W1057 HydrophobicContact CB-CZ2 3.79Å; F1052-W1057 HydrophobicContact CB-CZ3 4.07Å; F1052-W1057 HydrophobicContact CD2-CH2 4.46Å; F1052-W1057 HydrophobicContact CD2-CZ3 4.5Å; F1052-W1057 HydrophobicContact CG-CE3 4.47Å; F1052-W1057 HydrophobicContact CG-CH2 4.3Å; F1052-W1057 HydrophobicContact CG-CZ3 4.18Å; F1052-W1057 PolarHBondContact O-N 3.2Å; F1052-W1057 VanDerWaalsContact O-N 3.16Å; N1055-W1057 PolarHBondContact O-N 3.26Å; W1057-F1059 PolarHBondContact O-N 3.44Å; W1057-Q1061 HydrophobicContact CD2-CB 4.39Å; W1057-Q1061 HydrophobicContact CD2-CG 4.38Å; W1057-Q1061 HydrophobicContact CE3-CB 4.29Å; W1057-Q1061 HydrophobicContact CE3-CG 4.31Å; W1057-Q1061 HydrophobicContact CH2-CG 4.08Å; W1057-Q1061 HydrophobicContact CZ2-CG 4.13Å; W1057-Q1061 HydrophobicContact CZ3-CG 4.17Å; W1057-F1064 AromaticContact CH2-CD1 3.78Å; W1057-F1064 HydrophobicContact CH2-CD1 3.78Å; W1057-F1064 HydrophobicContact CH2-CE1 4.27Å; W1057-F1064 HydrophobicContact CH2-CG 4.24Å; W1057-F1064 HydrophobicContact CZ3-CB 3.83Å; W1057-F1064 AromaticContact CZ3-CD1 3.86Å; W1057-F1064 HydrophobicContact CZ3-CD1 3.86Å; W1057-F1064 AromaticContact CZ3-CG 3.83Å; W1057-F1064 HydrophobicContact CZ3-CG 3.83Å
1058P70.4Confident78.6Confident63 Ų6357.4 Ų57.441%0.40929%0.29SS..SBendtrans-67.8-0.4-178.225.8-33.9000115.6Y1014Y1014-P1058 HydrophobicContact CD1-CB 4.12Å; Y1014-P1058 HydrophobicContact CD1-CG 4.31Å; Y1014-P1058 HydrophobicContact CG-CG 4.44Å
1059F71.5Confident78.7Confident21 Ų2161.7 Ų61.79%0.09231%0.313CS..SBendtrans-151.7161.5174.158.6-83.3000110I915 I1010 Y1014 F1052 W1057 Q1061 F1064I915-F1059 HydrophobicContact CD1-CD2 4.05Å; I915-F1059 HydrophobicContact CD1-CE2 3.96Å; I1010-F1059 HydrophobicContact CG2-CE1 3.7Å; I1010-F1059 HydrophobicContact CG2-CE2 4.26Å; I1010-F1059 HydrophobicContact CG2-CZ 3.49Å; I1010-F1059 VanDerWaalsContact CG2-CZ 3.49Å; Y1014-F1059 HydrophobicContact CD1-CD1 4.22Å; Y1014-F1059 HydrophobicContact CD2-CD1 4.38Å; Y1014-F1059 HydrophobicContact CD2-CE1 4.43Å; Y1014-F1059 HydrophobicContact CG-CD1 4.08Å; Y1014-F1059 HydrophobicContact CG-CE1 4.3Å; F1052-F1059 HydrophobicContact CD1-CE1 4.46Å; F1052-F1059 AromaticContact CE1-CE1 3.76Å; F1052-F1059 HydrophobicContact CE1-CE1 3.76Å; F1052-F1059 HydrophobicContact CE1-CZ 4.17Å; F1052-F1059 HydrophobicContact CZ-CE1 4.2Å; F1052-F1059 HydrophobicContact CZ-CZ 4.23Å; W1057-F1059 PolarHBondContact O-N 3.44Å; F1059-Q1061 PolarHBondContact O-N 2.92Å; F1059-F1064 HydrophobicContact CE2-CB 3.66Å; F1059-F1064 AromaticContact CE2-CD2 3.84Å; F1059-F1064 HydrophobicContact CE2-CD2 3.84Å; F1059-F1064 HydrophobicContact CE2-CG 4.19Å; F1059-F1064 HydrophobicContact CZ-CB 4.26Å; F1059-F1064 AromaticContact CZ-CD2 3.69Å; F1059-F1064 HydrophobicContact CZ-CD2 3.69Å; F1059-F1064 HydrophobicContact CZ-CE2 4.49Å; F1059-F1064 HydrophobicContact CZ-CG 4.32Å
1060P74.2Confident78.9Confident74 Ų7461 Ų6148%0.48131%0.309SS..  trans-58.6124.9-174.4-24.634.4000112.3N1062 E1063 F1064P1060-N1062 PolarHBondContact O-N 2.61Å; P1060-E1063 HydrophobicContact CB-CG 4.46Å; P1060-E1063 PolarHBondContact O-N 3.14Å; P1060-F1064 PolarHBondContact O-N 2.74Å
1061Q78.6Confident79Confident102 Ų10256.7 Ų56.748%0.47729%0.29SS..Hα-helixtrans-52.7-32.3178.1-168.3-171.60.300112.4W1057 F1059 E1063 F1064 N1065W1057-Q1061 HydrophobicContact CD2-CB 4.39Å; W1057-Q1061 HydrophobicContact CD2-CG 4.38Å; W1057-Q1061 HydrophobicContact CE3-CB 4.29Å; W1057-Q1061 HydrophobicContact CE3-CG 4.31Å; W1057-Q1061 HydrophobicContact CH2-CG 4.08Å; W1057-Q1061 HydrophobicContact CZ2-CG 4.13Å; W1057-Q1061 HydrophobicContact CZ3-CG 4.17Å; F1059-Q1061 PolarHBondContact O-N 2.92Å; Q1061-E1063 VanDerWaalsContact C-N 3.29Å; Q1061-E1063 PolarHBondContact O-N 2.65Å; Q1061-F1064 PolarHBondContact O-N 3.34Å; Q1061-N1065 WeakPolarHBondContact O-CB 3.31Å; Q1061-N1065 PolarHBondContact O-N 3.41Å; Q1061-N1065 PolarHBondContact O-ND2 3.41Å; Q1061-N1065 PolarHBondContact O-OD1 3.49Å
1062N78.4Confident79.1Confident125 Ų12560.3 Ų60.367%0.66831%0.309SS*.Hα-helixtrans-59.8-34175.1-69.3-21.3000113.5P1060 L1066P1060-N1062 PolarHBondContact O-N 2.61Å; N1062-L1066 WeakPolarHBondContact O-CG 3.48Å; N1062-L1066 PolarHBondContact O-N 2.87Å
1063E74.8Confident79.2Confident48 Ų4863.5 Ų63.522%0.22433%0.325CS..Hα-helixtrans-75.3-40.2176.4-71-166.2-148.900111.8I915 P916 P1060 Q1061 N1065 L1066I915-E1063 HydrophobicContact CB-CB 4.16Å; I915-E1063 HydrophobicContact CD1-CB 3.92Å; I915-E1063 PolarHBondContact N-OE2 3.31Å; P916-E1063 VanDerWaalsContact CD-OE2 3.31Å; P916-E1063 WeakPolarHBondContact CD-OE2 3.43Å; P916-E1063 HydrophobicContact CG-CG 4.27Å; P1060-E1063 HydrophobicContact CB-CG 4.46Å; P1060-E1063 PolarHBondContact O-N 3.14Å; Q1061-E1063 VanDerWaalsContact C-N 3.29Å; Q1061-E1063 PolarHBondContact O-N 2.65Å; E1063-N1065 VanDerWaalsContact C-N 3.28Å; E1063-N1065 PolarHBondContact O-N 2.77Å; E1063-L1066 WeakPolarHBondContact O-CB 3.5Å; E1063-L1066 PolarHBondContact O-N 3.49Å; E1063-L1066 VanDerWaalsContact O-N 3.13Å
1064F81.4Confident79.5Confident0 Ų056.7 Ų56.70%030%0.295CS..Hα-helixtrans-57.1-45.9170.9-165.9-111.6000111.3L1007 W1041 I1048 L1049 F1052 W1057 F1059 P1060 Q1061 L1066 L1067 T1068L1007-F1064 HydrophobicContact CD1-CE2 3.94Å; L1007-F1064 HydrophobicContact CD1-CZ 3.91Å; L1007-F1064 HydrophobicContact CG-CE2 4.14Å; L1007-F1064 HydrophobicContact CG-CZ 4.39Å; W1041-F1064 AromaticContact CH2-CE1 3.96Å; W1041-F1064 HydrophobicContact CH2-CE1 3.96Å; W1041-F1064 HydrophobicContact CH2-CZ 4.3Å; W1041-F1064 AromaticContact CZ3-CE1 3.98Å; W1041-F1064 HydrophobicContact CZ3-CE1 3.98Å; W1041-F1064 AromaticContact CZ3-CZ 3.87Å; W1041-F1064 HydrophobicContact CZ3-CZ 3.87Å; I1048-F1064 HydrophobicContact CG2-CZ 4.32Å; L1049-F1064 HydrophobicContact CD2-CD1 4.38Å; L1049-F1064 HydrophobicContact CD2-CE1 3.88Å; F1052-F1064 HydrophobicContact CD2-CE2 4.46Å; F1052-F1064 HydrophobicContact CD2-CZ 4.26Å; F1052-F1064 AromaticContact CE2-CE2 3.78Å; F1052-F1064 HydrophobicContact CE2-CE2 3.78Å; F1052-F1064 AromaticContact CE2-CZ 3.9Å; F1052-F1064 HydrophobicContact CE2-CZ 3.9Å; F1052-F1064 HydrophobicContact CZ-CE2 4.33Å; W1057-F1064 AromaticContact CH2-CD1 3.78Å; W1057-F1064 HydrophobicContact CH2-CD1 3.78Å; W1057-F1064 HydrophobicContact CH2-CE1 4.27Å; W1057-F1064 HydrophobicContact CH2-CG 4.24Å; W1057-F1064 HydrophobicContact CZ3-CB 3.83Å; W1057-F1064 AromaticContact CZ3-CD1 3.86Å; W1057-F1064 HydrophobicContact CZ3-CD1 3.86Å; W1057-F1064 AromaticContact CZ3-CG 3.83Å; W1057-F1064 HydrophobicContact CZ3-CG 3.83Å; F1059-F1064 HydrophobicContact CE2-CB 3.66Å; F1059-F1064 AromaticContact CE2-CD2 3.84Å; F1059-F1064 HydrophobicContact CE2-CD2 3.84Å; F1059-F1064 HydrophobicContact CE2-CG 4.19Å; F1059-F1064 HydrophobicContact CZ-CB 4.26Å; F1059-F1064 AromaticContact CZ-CD2 3.69Å; F1059-F1064 HydrophobicContact CZ-CD2 3.69Å; F1059-F1064 HydrophobicContact CZ-CE2 4.49Å; F1059-F1064 HydrophobicContact CZ-CG 4.32Å; P1060-F1064 PolarHBondContact O-N 2.74Å; Q1061-F1064 PolarHBondContact O-N 3.34Å; F1064-L1066 PolarHBondContact O-N 3.33Å; F1064-L1066 VanDerWaalsContact O-N 3.17Å; F1064-L1067 PolarHBondContact O-N 2.91Å; F1064-L1067 VanDerWaalsContact O-N 3.08Å; F1064-T1068 HydrophobicContact CD1-CG2 3.83Å; F1064-T1068 HydrophobicContact CE1-CG2 3.52Å; F1064-T1068 HydrophobicContact CG-CG2 4.49Å; F1064-T1068 HydrophobicContact CZ-CG2 3.95Å; F1064-T1068 PolarHBondContact O-N 2.66Å; F1064-T1068 VanDerWaalsContact O-N 3.13Å; F1064-T1068 PolarHBondContact O-OG1 3.45Å
1065N82.3Confident79.6Confident50 Ų5053.7 Ų53.727%0.26728%0.281SS..Hα-helixtrans-58.6-27.9178.7-70.5-19.8000112.5Q1061 E1063 T1068 N1069Q1061-N1065 WeakPolarHBondContact O-CB 3.31Å; Q1061-N1065 PolarHBondContact O-N 3.41Å; Q1061-N1065 PolarHBondContact O-ND2 3.41Å; Q1061-N1065 PolarHBondContact O-OD1 3.49Å; E1063-N1065 VanDerWaalsContact C-N 3.28Å; E1063-N1065 PolarHBondContact O-N 2.77Å; N1065-T1068 WeakPolarHBondContact CA-OG1 3.48Å; N1065-T1068 PolarHBondContact O-OG1 2.92Å; N1065-N1069 WeakPolarHBondContact O-CB 3.34Å; N1065-N1069 PolarHBondContact O-N 3.25Å; N1065-N1069 PolarHBondContact O-ND2 3.4Å
1066L82.7Confident80.2Confident76 Ų7656.7 Ų56.740%0.39829%0.292SS..Hα-helixtrans-69.5-38.8176.3-68.2169.8000112.3P916 L919 N1062 E1063 F1064 E1070P916-L1066 HydrophobicContact CB-CD1 4.47Å; P916-L1066 HydrophobicContact CG-CD1 3.93Å; L919-L1066 HydrophobicContact CD1-CB 3.58Å; N1062-L1066 WeakPolarHBondContact O-CG 3.48Å; N1062-L1066 PolarHBondContact O-N 2.87Å; E1063-L1066 WeakPolarHBondContact O-CB 3.5Å; E1063-L1066 PolarHBondContact O-N 3.49Å; E1063-L1066 VanDerWaalsContact O-N 3.13Å; F1064-L1066 PolarHBondContact O-N 3.33Å; F1064-L1066 VanDerWaalsContact O-N 3.17Å; L1066-E1070 WeakPolarHBondContact O-CG 3.44Å; L1066-E1070 PolarHBondContact O-N 3.03Å
1067L81.6Confident80.7Confident0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-69.8-46176.4-78.5163.2000111.7I915 W918 L919 I1003 I1010 F1064 E1070 L1071I915-L1067 HydrophobicContact CD1-CD1 4.14Å; I915-L1067 HydrophobicContact CG1-CD1 4.19Å; I915-L1067 HydrophobicContact CG2-CD1 3.56Å; I915-L1067 HydrophobicContact CG2-CD2 4.42Å; I915-L1067 HydrophobicContact CG2-CG 3.62Å; W918-L1067 HydrophobicContact CE3-CD2 4.23Å; W918-L1067 HydrophobicContact CZ3-CD2 3.95Å; L919-L1067 HydrophobicContact CD1-CD2 4.39Å; L919-L1067 HydrophobicContact CD1-CG 4.35Å; L919-L1067 HydrophobicContact CD2-CD2 3.95Å; L919-L1067 HydrophobicContact CG-CD2 4.17Å; I1003-L1067 HydrophobicContact CG2-CD2 3.9Å; I1010-L1067 HydrophobicContact CD1-CD1 3.43Å; I1010-L1067 VanDerWaalsContact CD1-CD1 3.43Å; F1064-L1067 PolarHBondContact O-N 2.91Å; F1064-L1067 VanDerWaalsContact O-N 3.08Å; L1067-E1070 PolarHBondContact O-N 3.08Å; L1067-L1071 PolarHBondContact O-N 2.88Å; L1067-L1071 VanDerWaalsContact O-N 3.12Å
1068T83.8Confident81.1Confident11 Ų1148.7 Ų48.77%0.06725%0.251CS..Hα-helixtrans-67.4-40.3-179.359.30000111.8L1007 W1041 F1064 N1065 E1070 L1071 D1072L1007-T1068 HydrophobicContact CD1-CG2 3.85Å; W1041-T1068 HydrophobicContact CH2-CG2 3.41Å; W1041-T1068 VanDerWaalsContact CH2-CG2 3.41Å; W1041-T1068 HydrophobicContact CZ2-CG2 3.36Å; W1041-T1068 HydrophobicContact CZ3-CG2 4.02Å; F1064-T1068 HydrophobicContact CD1-CG2 3.83Å; F1064-T1068 HydrophobicContact CE1-CG2 3.52Å; F1064-T1068 HydrophobicContact CG-CG2 4.49Å; F1064-T1068 HydrophobicContact CZ-CG2 3.95Å; F1064-T1068 PolarHBondContact O-N 2.66Å; F1064-T1068 VanDerWaalsContact O-N 3.13Å; F1064-T1068 PolarHBondContact O-OG1 3.45Å; N1065-T1068 WeakPolarHBondContact CA-OG1 3.48Å; N1065-T1068 PolarHBondContact O-OG1 2.92Å; T1068-E1070 VanDerWaalsContact C-N 3.3Å; T1068-E1070 PolarHBondContact O-N 3.42Å; T1068-L1071 WeakPolarHBondContact O-CB 3.45Å; T1068-L1071 PolarHBondContact O-N 2.85Å; T1068-L1071 VanDerWaalsContact O-N 3.12Å; T1068-D1072 PolarHBondContact O-N 3.34Å
1069N85.1Confident81.6Confident91 Ų9149.4 Ų49.449%0.48725%0.252SS..Hα-helixtrans-59.2-37.4173.1-80.7-48000112.5N1065 M1073N1065-N1069 WeakPolarHBondContact O-CB 3.34Å; N1065-N1069 PolarHBondContact O-N 3.25Å; N1065-N1069 PolarHBondContact O-ND2 3.4Å; N1069-M1073 WeakPolarHBondContact O-CB 3.48Å; N1069-M1073 WeakPolarHBondContact O-CG 3.39Å; N1069-M1073 PolarHBondContact O-N 3.22Å
1070E85.5Confident82.1Confident31 Ų3151.7 Ų51.715%0.14526%0.263CS..Hα-helixtrans-71.1-34.5176-72.8-88.8136.400111.7L919 L924 R930 I1003 L1066 L1067 T1068 G1074L919-E1070 HydrophobicContact CD2-CG 4.29Å; L924-E1070 WeakPolarHBondContact CA-OE2 3.08Å; L924-E1070 WeakPolarHBondContact CB-OE2 3.48Å; L924-E1070 VanDerWaalsContact CD1-O 3.3Å; L924-E1070 WeakPolarHBondContact CD1-O 3.47Å; L924-E1070 WeakPolarHBondContact CG-OE2 3.47Å; L924-E1070 PolarHBondContact N-OE2 3.42Å; R930-E1070 IonicContact NH2-OE1 3.5Å; I1003-E1070 HydrophobicContact CD1-CB 4.34Å; L1066-E1070 WeakPolarHBondContact O-CG 3.44Å; L1066-E1070 PolarHBondContact O-N 3.03Å; L1067-E1070 PolarHBondContact O-N 3.08Å; T1068-E1070 VanDerWaalsContact C-N 3.3Å; T1068-E1070 PolarHBondContact O-N 3.42Å; E1070-G1074 PolarHBondContact O-N 3.43Å
1071L84.1Confident82.4Confident0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-64.5-44.1171.7-71.3172.5000112.5L1000 I1003 E1004 L1007 W1041 Y1042 L1067 T1068 G1074 Q1075L1000-L1071 HydrophobicContact CD2-CD2 3.78Å; I1003-L1071 HydrophobicContact CB-CD2 3.94Å; I1003-L1071 HydrophobicContact CB-CG 4.49Å; I1003-L1071 HydrophobicContact CG2-CD1 4.36Å; I1003-L1071 HydrophobicContact CG2-CD2 3.72Å; I1003-L1071 HydrophobicContact CG2-CG 3.72Å; E1004-L1071 HydrophobicContact CB-CD2 4.18Å; L1007-L1071 HydrophobicContact CD1-CD1 3.95Å; W1041-L1071 HydrophobicContact CB-CD1 4.23Å; W1041-L1071 HydrophobicContact CD2-CD1 4.42Å; W1041-L1071 HydrophobicContact CG-CD1 3.83Å; Y1042-L1071 PolarHBondContact OH-O 3.24Å; L1067-L1071 PolarHBondContact O-N 2.88Å; L1067-L1071 VanDerWaalsContact O-N 3.12Å; T1068-L1071 WeakPolarHBondContact O-CB 3.45Å; T1068-L1071 PolarHBondContact O-N 2.85Å; T1068-L1071 VanDerWaalsContact O-N 3.12Å; L1071-G1074 PolarHBondContact O-N 3.46Å; L1071-Q1075 PolarHBondContact O-N 3.17Å
1072D83.5Confident82.5Confident79 Ų7945.5 Ų45.542%0.42223%0.226SC..Hα-helixtrans-70.4-39.6179.5-68.8-14.7000111.4T1068 Q1075 K1076T1068-D1072 PolarHBondContact O-N 3.34Å; D1072-Q1075 PolarHBondContact O-N 2.96Å; D1072-K1076 WeakPolarHBondContact O-CB 3.27Å; D1072-K1076 PolarHBondContact O-N 3.19Å
1073M84.4Confident82.5Confident67 Ų6743.7 Ų43.733%0.3321%0.214SC..Hα-helixtrans-65.9-38173.9-76.2-61.5-54.900112.4N1069 K1076 Y1077N1069-M1073 WeakPolarHBondContact O-CB 3.48Å; N1069-M1073 WeakPolarHBondContact O-CG 3.39Å; N1069-M1073 PolarHBondContact O-N 3.22Å; M1073-K1076 HydrophobicContact CE-CD 4.49Å; M1073-K1076 WeakPolarHBondContact O-CB 3.32Å; M1073-K1076 PolarHBondContact O-N 2.93Å; M1073-K1076 HydrophobicContact SD-CD 4.29Å; M1073-Y1077 HydrophobicContact CB-CE2 4.39Å; M1073-Y1077 HydrophobicContact CE-CE1 3.61Å; M1073-Y1077 HydrophobicContact CE-CE2 4.3Å; M1073-Y1077 VanDerWaalsContact CE-CZ 3.47Å; M1073-Y1077 VanDerWaalsContact CE-OH 3.26Å; M1073-Y1077 WeakPolarHBondContact CE-OH 3.13Å; M1073-Y1077 VanDerWaalsContact O-CD2 3.24Å; M1073-Y1077 WeakPolarHBondContact O-CD2 3.23Å; M1073-Y1077 PolarHBondContact O-N 3.33Å
1074G84.1Confident82.7Confident0 Ų042.5 Ų42.50%021%0.209CC..Hα-helixtrans-68.8-38174.500000112.8E1070 L1071 K1076 Y1077 L1078E1070-G1074 PolarHBondContact O-N 3.43Å; L1071-G1074 PolarHBondContact O-N 3.46Å; G1074-K1076 VanDerWaalsContact C-N 3.33Å; G1074-K1076 PolarHBondContact O-N 2.87Å; G1074-Y1077 PolarHBondContact O-N 3.38Å; G1074-L1078 WeakPolarHBondContact O-CB 3.28Å; G1074-L1078 PolarHBondContact O-N 2.85Å
1075Q83Confident82.5Confident49 Ų4947.5 Ų47.523%0.22923%0.231CC..Hα-helixtrans-61.4-41.7170.6167.657.6-15.400111.6Y1042 L1071 D1072 L1078 N1079 P1109Y1042-Q1075 HydrophobicContact CE1-CB 3.88Å; Y1042-Q1075 HydrophobicContact CE1-CG 4.29Å; L1071-Q1075 PolarHBondContact O-N 3.17Å; D1072-Q1075 PolarHBondContact O-N 2.96Å; Q1075-L1078 PolarHBondContact O-N 2.58Å; Q1075-N1079 PolarHBondContact NE2-ND2 3.42Å; Q1075-N1079 PolarHBondContact O-N 3.34Å; Q1075-N1079 PolarHBondContact O-ND2 2.7Å; Q1075-P1109 HydrophobicContact CB-CB 4.25Å; Q1075-P1109 HydrophobicContact CB-CG 4.2Å; Q1075-P1109 HydrophobicContact CG-CG 4Å
1076K84.5Confident82Confident105 Ų10547.7 Ų47.746%0.45724%0.236SC..Hα-helixtrans-59.8-47.5172.9-179.5174.7176.7172.80112.1D1072 M1073 G1074 L1078 N1079 E1080D1072-K1076 WeakPolarHBondContact O-CB 3.27Å; D1072-K1076 PolarHBondContact O-N 3.19Å; M1073-K1076 HydrophobicContact CE-CD 4.49Å; M1073-K1076 WeakPolarHBondContact O-CB 3.32Å; M1073-K1076 PolarHBondContact O-N 2.93Å; M1073-K1076 HydrophobicContact SD-CD 4.29Å; G1074-K1076 VanDerWaalsContact C-N 3.33Å; G1074-K1076 PolarHBondContact O-N 2.87Å; K1076-L1078 VanDerWaalsContact C-N 3.28Å; K1076-L1078 PolarHBondContact O-N 3.21Å; K1076-N1079 PolarHBondContact O-N 2.75Å; K1076-E1080 WeakPolarHBondContact CE-OE1 3.37Å; K1076-E1080 HydrophobicContact CG-CG 4.43Å; K1076-E1080 WeakPolarHBondContact O-CB 3.35Å; K1076-E1080 WeakPolarHBondContact O-CG 3.35Å; K1076-E1080 PolarHBondContact O-N 2.82Å
1077Y85.8Confident81.3Confident27 Ų2747.5 Ų47.511%0.10624%0.238CC..Hα-helixtrans-63.2-32.6177.1-63.2-33.1000113.1L924 R930 L931 M1073 G1074 A1081L924-Y1077 HydrophobicContact CD1-CD2 4.19Å; L924-Y1077 HydrophobicContact CD1-CE2 4.13Å; R930-Y1077 HydrophobicContact CB-CE2 3.98Å; R930-Y1077 HydrophobicContact CG-CE2 3.95Å; L931-Y1077 HydrophobicContact CB-CD1 3.57Å; L931-Y1077 HydrophobicContact CB-CE1 4.02Å; L931-Y1077 HydrophobicContact CB-CG 4.11Å; M1073-Y1077 HydrophobicContact CB-CE2 4.39Å; M1073-Y1077 HydrophobicContact CE-CE1 3.61Å; M1073-Y1077 HydrophobicContact CE-CE2 4.3Å; M1073-Y1077 VanDerWaalsContact CE-CZ 3.47Å; M1073-Y1077 VanDerWaalsContact CE-OH 3.26Å; M1073-Y1077 WeakPolarHBondContact CE-OH 3.13Å; M1073-Y1077 VanDerWaalsContact O-CD2 3.24Å; M1073-Y1077 WeakPolarHBondContact O-CD2 3.23Å; M1073-Y1077 PolarHBondContact O-N 3.33Å; G1074-Y1077 PolarHBondContact O-N 3.38Å; Y1077-A1081 WeakPolarHBondContact O-CB 3.39Å; Y1077-A1081 PolarHBondContact O-N 2.82Å
1078L83.7Confident80.2Confident4 Ų448.1 Ų48.12%0.02124%0.244CC..Hα-helixtrans-69.3-39.9176.4-169.3135.4000111.5L996 R997 G1074 Q1075 K1076 K1082L996-L1078 HydrophobicContact CD2-CB 3.99Å; L996-L1078 HydrophobicContact CD2-CD1 4.49Å; R997-L1078 HydrophobicContact CG-CD1 4Å; G1074-L1078 WeakPolarHBondContact O-CB 3.28Å; G1074-L1078 PolarHBondContact O-N 2.85Å; Q1075-L1078 PolarHBondContact O-N 2.58Å; K1076-L1078 VanDerWaalsContact C-N 3.28Å; K1076-L1078 PolarHBondContact O-N 3.21Å; L1078-K1082 HydrophobicContact CD2-CD 4.3Å; L1078-K1082 WeakPolarHBondContact O-CG 3.36Å; L1078-K1082 PolarHBondContact O-N 3.06Å; L1078-K1082 VanDerWaalsContact O-N 3.09Å
1079N81.4Confident79Confident77 Ų7752.7 Ų52.741%0.41227%0.268SS..Hα-helixtrans-70-41.7174.3-68.7-27.3000112.4Q1075 K1076 K1082 H1083Q1075-N1079 PolarHBondContact NE2-ND2 3.42Å; Q1075-N1079 PolarHBondContact O-N 3.34Å; Q1075-N1079 PolarHBondContact O-ND2 2.7Å; K1076-N1079 PolarHBondContact O-N 2.75Å; N1079-K1082 PolarHBondContact O-N 2.99Å; N1079-H1083 PolarHBondContact O-N 3.01Å
1080E81Confident77.2Confident69 Ų6953.9 Ų53.932%0.32228%0.281SS..Hα-helixtrans-63-41.4174.3-72173.8173.100111.3L931 K1076 H1083 L1084L931-E1080 HydrophobicContact CD2-CB 3.66Å; L931-E1080 HydrophobicContact CD2-CG 4.43Å; L931-E1080 WeakPolarHBondContact CD2-OE2 3.48Å; K1076-E1080 WeakPolarHBondContact CE-OE1 3.37Å; K1076-E1080 HydrophobicContact CG-CG 4.43Å; K1076-E1080 WeakPolarHBondContact O-CB 3.35Å; K1076-E1080 WeakPolarHBondContact O-CG 3.35Å; K1076-E1080 PolarHBondContact O-N 2.82Å; E1080-H1083 PolarHBondContact O-N 2.86Å; E1080-L1084 WeakPolarHBondContact O-CG 3.47Å; E1080-L1084 PolarHBondContact O-N 3.11Å
1081A81.6Confident75.3Confident0 Ų060.8 Ų60.80%031%0.313CS..Hα-helixtrans-62.5-41.9174.900000112.8F989 Y992 Y1077 H1083 L1084 K1085F989-A1081 HydrophobicContact CD1-CB 4.24Å; Y992-A1081 HydrophobicContact CD1-CB 4.17Å; Y992-A1081 HydrophobicContact CE1-CB 3.99Å; Y1077-A1081 WeakPolarHBondContact O-CB 3.39Å; Y1077-A1081 PolarHBondContact O-N 2.82Å; A1081-H1083 VanDerWaalsContact C-N 3.34Å; A1081-H1083 PolarHBondContact O-N 3.25Å; A1081-L1084 PolarHBondContact O-N 3.11Å; A1081-K1085 WeakPolarHBondContact O-CB 3.4Å; A1081-K1085 PolarHBondContact O-N 2.81Å
1082K79.6Confident73.1Confident46 Ų4672 Ų7220%0.236%0.355CS..Hα-helixtrans-60.4-40.9173.2-74.4175.3-179.8-175.80112.3L1078 N1079 K1085 S1086 F1104L1078-K1082 HydrophobicContact CD2-CD 4.3Å; L1078-K1082 WeakPolarHBondContact O-CG 3.36Å; L1078-K1082 PolarHBondContact O-N 3.06Å; L1078-K1082 VanDerWaalsContact O-N 3.09Å; N1079-K1082 PolarHBondContact O-N 2.99Å; K1082-K1085 PolarHBondContact O-N 3.07Å; K1082-S1086 PolarHBondContact O-N 2.84Å; K1082-F1104 HydrophobicContact CD-CD2 4.38Å; K1082-F1104 HydrophobicContact CD-CE2 3.77Å; K1082-F1104 HydrophobicContact CD-CZ 4.06Å; K1082-F1104 VanDerWaalsContact NZ-CD2 3.3Å; K1082-F1104 VanDerWaalsContact NZ-CE1 3.26Å
1083H78.4Confident70.6Confident88 Ų8873.5 Ų73.541%0.40737%0.372SS..Hα-helixtrans-66.1-38.5175.9-174.4-75.3000112.4N1079 E1080 A1081 S1086 T1087N1079-H1083 PolarHBondContact O-N 3.01Å; E1080-H1083 PolarHBondContact O-N 2.86Å; A1081-H1083 VanDerWaalsContact C-N 3.34Å; A1081-H1083 PolarHBondContact O-N 3.25Å; H1083-S1086 PolarHBondContact O-N 2.98Å; H1083-S1086 PolarHBondContact O-OG 3.21Å; H1083-T1087 PolarHBondContact O-N 2.76Å; H1083-T1087 VanDerWaalsContact O-N 3.11Å; H1083-T1087 PolarHBondContact O-OG1 3.32Å
1084L78.4Confident68.1Low22 Ų2281.8 Ų81.812%0.11540%0.402CS..Hα-helixtrans-67.2-37.2174.1-68.5-179000112.4L931 L935 I965 F982 F989 E1080 A1081 T1087 G1088L931-L1084 HydrophobicContact CD1-CD1 4.18Å; L931-L1084 HydrophobicContact CD2-CD1 4.5Å; L935-L1084 HydrophobicContact CD2-CD1 4.23Å; I965-L1084 HydrophobicContact CD1-CD2 4.45Å; F982-L1084 HydrophobicContact CE2-CD1 4.41Å; F982-L1084 HydrophobicContact CE2-CD2 4.34Å; F982-L1084 HydrophobicContact CZ-CD1 4.13Å; F982-L1084 HydrophobicContact CZ-CD2 3.76Å; F989-L1084 HydrophobicContact CE1-CB 3.73Å; F989-L1084 HydrophobicContact CZ-CB 3.65Å; E1080-L1084 WeakPolarHBondContact O-CG 3.47Å; E1080-L1084 PolarHBondContact O-N 3.11Å; A1081-L1084 PolarHBondContact O-N 3.11Å; L1084-T1087 WeakPolarHBondContact CA-OG1 3.48Å; L1084-T1087 PolarHBondContact O-OG1 3.33Å; L1084-G1088 PolarHBondContact O-N 2.87Å
1085K78.6Confident65.6Low105 Ų10590.8 Ų90.846%0.45744%0.436SS..Hα-helixtrans-64-37.9173.3-170.2177.9-175.4175.80112.1F989 A1081 K1082F989-K1085 HydrophobicContact CB-CD 4.17Å; F989-K1085 HydrophobicContact CD2-CB 3.87Å; F989-K1085 HydrophobicContact CD2-CG 3.99Å; F989-K1085 HydrophobicContact CE2-CB 4.12Å; F989-K1085 HydrophobicContact CG-CB 4.11Å; F989-K1085 HydrophobicContact CG-CG 4.38Å; A1081-K1085 WeakPolarHBondContact O-CB 3.4Å; A1081-K1085 PolarHBondContact O-N 2.81Å; K1082-K1085 PolarHBondContact O-N 3.07Å
1086S71.8Confident63.4Low55 Ų5592 Ų9239%0.38545%0.449SS..Hα-helixtrans-75.3-31179.769.50000113.8K1082 H1083K1082-S1086 PolarHBondContact O-N 2.84Å; H1083-S1086 PolarHBondContact O-N 2.98Å; H1083-S1086 PolarHBondContact O-OG 3.21Å
1087T67.2Low61Low71 Ų7194.3 Ų94.344%0.43647%0.466SS..Hα-helixtrans-78.4-13.7-179.837.30000114.5H1083 L1084 N1089H1083-T1087 PolarHBondContact O-N 2.76Å; H1083-T1087 VanDerWaalsContact O-N 3.11Å; H1083-T1087 PolarHBondContact O-OG1 3.32Å; L1084-T1087 WeakPolarHBondContact CA-OG1 3.48Å; L1084-T1087 PolarHBondContact O-OG1 3.33Å; T1087-N1089 VanDerWaalsContact C-N 3.28Å; T1087-N1089 PolarHBondContact O-N 3.27Å
1088G59.5Low58.8Low13 Ų13102.5 Ų102.513%0.13450%0.502CS..THydrogen-bonded Turntrans-78.4-2.6172.900000115.5P984 L985 L1084P984-G1088 VanDerWaalsContact CG-CA 3.42Å; L985-G1088 WeakPolarHBondContact CD2-O 3.4Å; L1084-G1088 PolarHBondContact O-N 2.87Å
1089N57.2Low56.7Low107 Ų107108 Ų10857%0.57253%0.528SS*.  trans-110.2109.2-168-139.5-20.8000111T1087 H1091T1087-N1089 VanDerWaalsContact C-N 3.28Å; T1087-N1089 PolarHBondContact O-N 3.27Å; N1089-H1091 PolarHBondContact O-N 2.94Å
1090P47.6Very low54.4Low117 Ų117109.4 Ų109.476%0.7653%0.533SS*.THydrogen-bonded Turntrans-70.73.3-16727.4-35.3000115.9
1091H45.2Very low52.3Low175 Ų175113.9 Ų113.981%0.8156%0.559SS**THydrogen-bonded Turntrans-108.616.7-175.1-71.8-63.4000115.6N1089N1089-H1091 PolarHBondContact O-N 2.94Å
1092R38Very low50.2Low235 Ų235118.3 Ų118.389%0.88759%0.59SS**  trans-128.298.6169.6-84.6-173.8171.8-179.7-1.5112.4
1093S32.3Very low48.1Very low112 Ų112121.2 Ų121.278%0.78361%0.612SS**  trans-60.6148.9168.748.90000112.1R1095S1093-R1095 PolarHBondContact O-N 2.87Å; S1093-R1095 VanDerWaalsContact O-N 3.16Å
1094Y31.4Very low46.2Very low240 Ų240123.3 Ų123.394%0.94162%0.62SS**  trans-13.1103.2169.2-98-104.5000115.5
1095R31.3Very low44.7Very low190 Ų190129 Ų12972%0.71765%0.651SS**  trans-113.5135.3152.7-79.4-167.3178.6-177-1109S1093S1093-R1095 PolarHBondContact O-N 2.87Å; S1093-R1095 VanDerWaalsContact O-N 3.16Å
1096S36.1Very low43.4Very low73 Ų73129.5 Ų129.551%0.5166%0.658SS.*  trans-65.1151.3-175.460.90000111.9K1098 Q1099S1096-K1098 PolarHBondContact O-N 2.87Å; S1096-Q1099 PolarHBondContact O-N 2.75Å; S1096-Q1099 VanDerWaalsContact O-N 3.17Å
1097L35.2Very low42.9Very low154 Ų154135.3 Ų135.381%0.80667%0.672SS**THydrogen-bonded Turntrans-57.1-9.7180-95.982.4000114.7
1098K39.9Very low42.7Very low200 Ų200132.1 Ų132.187%0.8765%0.652SS**THydrogen-bonded Turntrans-82.1-8.1178.7-70.3-172.6173.9-176.20114.6S1096S1096-K1098 PolarHBondContact O-N 2.87Å
1099Q38.3Very low42.9Very low119 Ų119131.8 Ų131.856%0.55665%0.648SS**SBendtrans-1143.8-173.6-77.3-173.6-14.900116.2S1096S1096-Q1099 PolarHBondContact O-N 2.75Å; S1096-Q1099 VanDerWaalsContact O-N 3.17Å
1100M33.1Very low43.2Very low107 Ų107126.9 Ų126.953%0.52762%0.622SS.*  trans-90.6-2.2-176.8-73.8-167.8175.500115.6S1102M1100-S1102 VanDerWaalsContact C-N 3.25Å; M1100-S1102 PolarHBondContact O-N 3.19Å
1101N36.8Very low43.8Very low163 Ų163122.7 Ų122.787%0.87260%0.6SS**SBendtrans-79.16.8-175.1-71.5-1.7000115.2
1102S37.2Very low44.7Very low92 Ų92115.7 Ų115.764%0.64357%0.568SS**SBendtrans-123.130.4-164.371.50000115.6M1100M1100-S1102 VanDerWaalsContact C-N 3.25Å; M1100-S1102 PolarHBondContact O-N 3.19Å
1103T36.8Very low45.7Very low108 Ų108107.8 Ų107.866%0.66355%0.547SS*.SBendtrans-145.133.6-17550.40000114.9
1104F38.3Very low47Very low132 Ų132106.7 Ų106.758%0.57953%0.526SS*.  trans-142.858.5174.1-98.9-79.5000111.6K1082K1082-F1104 HydrophobicContact CD-CD2 4.38Å; K1082-F1104 HydrophobicContact CD-CE2 3.77Å; K1082-F1104 HydrophobicContact CD-CZ 4.06Å; K1082-F1104 VanDerWaalsContact NZ-CD2 3.3Å; K1082-F1104 VanDerWaalsContact NZ-CE1 3.26Å
1105D46.3Very low48.7Very low141 Ų14196.9 Ų96.975%0.75449%0.487SS*.  trans-66.3151.1165-62.8-53.5000110.7
1106D52.8Low49.7Very low115 Ų11594 Ų9462%0.61549%0.485SS*.SBendtrans100.3-38.3168.9-61.2-11.9000120.5P1113 Y1114D1106-P1113 WeakPolarHBondContact O-CA 3.49Å; D1106-Y1114 PolarHBondContact O-N 3.46Å
1107R59.5Low50.3Low178 Ų17897 Ų9767%0.67249%0.491SS*.BIsolated β-bridgetrans-137.6135.6-174-59.6-171.3-168.9-175.43.7116.4Y1114R1107-Y1114 VanDerWaalsContact C-CD2 3.49Å; R1107-Y1114 VanDerWaalsContact O-CE2 3.27Å; R1107-Y1114 WeakPolarHBondContact O-CE2 3.47Å
1108A63.2Low50.3Low3 Ų3101.5 Ų101.53%0.02551%0.507CS..  trans-66.6161.7171.500000112.3Y1042 C1110 G1111 H1112 Y1114Y1042-A1108 HydrophobicContact CD2-CB 4.47Å; A1108-C1110 VanDerWaalsContact C-N 3.26Å; A1108-C1110 PolarHBondContact O-N 3.02Å; A1108-G1111 WeakPolarHBondContact O-CA 3.27Å; A1108-G1111 PolarHBondContact O-N 3.3Å; A1108-H1112 HydrophobicContact CB-CB 4.36Å; A1108-H1112 VanDerWaalsContact CB-O 3.28Å; A1108-H1112 WeakPolarHBondContact CB-O 3.26Å; A1108-H1112 PolarHBondContact N-O 3.11Å; A1108-Y1114 HydrophobicContact CB-CD1 4.33Å; A1108-Y1114 HydrophobicContact CB-CE1 3.92Å; A1108-Y1114 HydrophobicContact CB-CE2 4.44Å
1109P65.4Low50.8Low6 Ų696.6 Ų96.64%0.03949%0.489CS..THydrogen-bonded Turntrans-60.2-30.4-174.8-25.235.9000114.8L1000 Y1042 Q1075 G1111L1000-P1109 HydrophobicContact CD1-CB 4.31Å; Y1042-P1109 HydrophobicContact CD1-CG 3.91Å; Y1042-P1109 HydrophobicContact CD2-CB 4.42Å; Y1042-P1109 HydrophobicContact CD2-CG 4.12Å; Y1042-P1109 HydrophobicContact CE1-CB 4.21Å; Y1042-P1109 HydrophobicContact CE1-CG 3.84Å; Y1042-P1109 HydrophobicContact CE2-CB 3.89Å; Y1042-P1109 HydrophobicContact CE2-CG 4.02Å; Y1042-P1109 HydrophobicContact CG-CG 4.04Å; Q1075-P1109 HydrophobicContact CB-CB 4.25Å; Q1075-P1109 HydrophobicContact CB-CG 4.2Å; Q1075-P1109 HydrophobicContact CG-CG 4Å; P1109-G1111 VanDerWaalsContact C-N 3.27Å; P1109-G1111 PolarHBondContact O-N 2.78Å
1110C61.8Low51.4Low4 Ų495.4 Ų95.43%0.02749%0.486CS..THydrogen-bonded Turntrans-75.6-7.217350.50000114.6E1004 Y1042 A1108E1004-C1110 HydrophobicContact CB-CB 4.5Å; E1004-C1110 VanDerWaalsContact CD-SG 3.52Å; E1004-C1110 PolarHBondContact OE1-SG 3.24Å; E1004-C1110 VanDerWaalsContact OE1-SG 3.37Å; E1004-C1110 WeakPolarHBondContact OE2-CB 3.29Å; E1004-C1110 PolarHBondContact OE2-SG 3.04Å; Y1042-C1110 HydrophobicContact CE2-CB 4.06Å; A1108-C1110 VanDerWaalsContact C-N 3.26Å; A1108-C1110 PolarHBondContact O-N 3.02Å
1111G60.1Low52.5Low30 Ų3094.8 Ų94.831%0.30948%0.483SS..SBendtrans93-8.2-17600000115.1A1108 P1109A1108-G1111 WeakPolarHBondContact O-CA 3.27Å; A1108-G1111 PolarHBondContact O-N 3.3Å; P1109-G1111 VanDerWaalsContact C-N 3.27Å; P1109-G1111 PolarHBondContact O-N 2.78Å
1112H64.1Low53.4Low28 Ų2890.8 Ų90.813%0.1346%0.46CS..PPolyproline II helixtrans-61.4135.7172.5-81.3100.9000111.1E1004 A1108E1004-H1112 IonicContact OE1-ND1 2.64Å; E1004-H1112 IonicContact OE2-CE1 2.88Å; E1004-H1112 PolarHBondContact OE2-CE1 3.25Å; E1004-H1112 IonicContact OE2-CG 3.88Å; E1004-H1112 IonicContact OE2-ND1 2.69Å; E1004-H1112 PolarHBondContact OE2-ND1 2.95Å; A1108-H1112 HydrophobicContact CB-CB 4.36Å; A1108-H1112 VanDerWaalsContact CB-O 3.28Å; A1108-H1112 WeakPolarHBondContact CB-O 3.26Å; A1108-H1112 PolarHBondContact N-O 3.11Å
1113P60.4Low54.4Low69 Ų6990.7 Ų90.745%0.44845%0.449SS..BIsolated β-bridgetrans-66.6136.9173.327.9-33.3000110.3D1106 R1115D1106-P1113 WeakPolarHBondContact O-CA 3.49Å; P1113-R1115 PolarHBondContact O-N 3.03Å
1114Y59Low55.6Low89 Ų8989.5 Ų89.535%0.34944%0.435SS..PPolyproline II helixtrans-65.8129.2172.5-75.7-66.5000109.4Q1043 D1106 R1107 A1108 I1116Q1043-Y1114 HydrophobicContact CG-CD1 3.76Å; Q1043-Y1114 HydrophobicContact CG-CE1 4.17Å; D1106-Y1114 PolarHBondContact O-N 3.46Å; R1107-Y1114 VanDerWaalsContact C-CD2 3.49Å; R1107-Y1114 VanDerWaalsContact O-CE2 3.27Å; R1107-Y1114 WeakPolarHBondContact O-CE2 3.47Å; A1108-Y1114 HydrophobicContact CB-CD1 4.33Å; A1108-Y1114 HydrophobicContact CB-CE1 3.92Å; A1108-Y1114 HydrophobicContact CB-CE2 4.44Å; Y1114-I1116 PolarHBondContact O-N 3.02Å
1115R67Low56.8Low33 Ų3386.5 Ų86.513%0.12542%0.424CS..PPolyproline II helixtrans-66.3116.3164.6-78161.6-69.5174-2.4108.7V1027 Q1043 D1044 P1113 H1117V1027-R1115 PolarHBondContact O-NH1 3.08Å; Q1043-R1115 VanDerWaalsContact NE2-N 3.19Å; Q1043-R1115 PolarHBondContact NE2-O 2.99Å; Q1043-R1115 VanDerWaalsContact OE1-N 3.17Å; D1044-R1115 IonicContact OD1-CZ 3.38Å; D1044-R1115 IonicContact OD1-NH1 3.8Å; D1044-R1115 PolarHBondContact OD1-NH1 3.35Å; D1044-R1115 IonicContact OD1-NH2 3.94Å; D1044-R1115 PolarHBondContact OD1-NH2 2.88Å; D1044-R1115 IonicContact OD2-CZ 2.71Å; D1044-R1115 IonicContact OD2-NH1 2.73Å; D1044-R1115 IonicContact OD2-NH2 3.17Å; D1044-R1115 PolarHBondContact OD2-NH2 3.38Å; P1113-R1115 PolarHBondContact O-N 3.03Å; R1115-H1117 PolarHBondContact O-N 3.23Å
1116I53.3Low57.6Low131 Ų13182.3 Ų82.367%0.67240%0.399SS*.  trans-70.8114.4169.8-58.6171.5000107.2Y1114Y1114-I1116 PolarHBondContact O-N 3.02Å
1117H48.5Very low58Low136 Ų13679.6 Ų79.663%0.6338%0.381SS*.  trans-81.4112.4165.6-75-86.4000108.1R1115R1115-H1117 PolarHBondContact O-N 3.23Å
1118H34Very low57.9Low248 Ų24870.6 Ų70.6100%1.14836%0.355SS*.  trans-87.90159.1-86.2-61.9000109.6

Retrieved 1,118 of 1,118 residues in 384.4 ms (Link to these results)

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