A0A077ZL30_TRITR Loading...

Nitroreductase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 287 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
1M89.6Confident94.1Very high59 Ų5957.5 Ų57.529%0.29128%0.283SS..  0136.50-172.8158.160.900109.5Y3 M6 L99 K100 E103M1-Y3 HydrophobicContact CE-CD1 3.85Å; M1-Y3 HydrophobicContact CE-CE1 3.29Å; M1-Y3 PolarHBondContact O-N 3.35Å; M1-M6 HydrophobicContact CG-CB 4.48Å; M1-M6 HydrophobicContact CG-CG 3.55Å; M1-M6 HydrophobicContact SD-CG 3.87Å; M1-L99 HydrophobicContact CE-CB 3.55Å; M1-L99 HydrophobicContact SD-CB 3.87Å; M1-L99 VanDerWaalsContact SD-O 3.35Å; M1-K100 VanDerWaalsContact SD-CA 3.59Å; M1-K100 HydrophobicContact SD-CB 4.3Å; M1-K100 PolarHBondContact SD-N 2.86Å; M1-K100 VanDerWaalsContact SD-N 3.43Å; M1-E103 WeakPolarHBondContact CA-OE1 3.38Å; M1-E103 HydrophobicContact SD-CB 4.22Å
2N93.7Very high93.9Very high90 Ų9056.5 Ų56.548%0.48129%0.286SS..  trans-81.192170-179.4-22000108.6S4 A5 M6N2-S4 PolarHBondContact O-N 3.07Å; N2-S4 PolarHBondContact OD1-N 3.44Å; N2-A5 HydrophobicContact CB-CB 4.12Å; N2-A5 PolarHBondContact O-N 2.83Å; N2-A5 PolarHBondContact OD1-N 2.96Å; N2-A5 VanDerWaalsContact OD1-N 3.14Å; N2-M6 WeakPolarHBondContact O-CG 3.48Å; N2-M6 PolarHBondContact O-N 2.97Å
3Y95.8Very high93.8Very high38 Ų3853.4 Ų53.415%0.14927%0.272CS..Hα-helixtrans-55.9-48.3-174.9-76.6-73.3000113.1M1 A5 M6 I7 D96 L99 A254M1-Y3 HydrophobicContact CE-CD1 3.85Å; M1-Y3 HydrophobicContact CE-CE1 3.29Å; M1-Y3 PolarHBondContact O-N 3.35Å; Y3-A5 VanDerWaalsContact C-N 3.28Å; Y3-A5 PolarHBondContact O-N 3.34Å; Y3-M6 PolarHBondContact O-N 2.81Å; Y3-M6 VanDerWaalsContact O-N 3.14Å; Y3-I7 WeakPolarHBondContact O-CB 3.36Å; Y3-I7 VanDerWaalsContact O-CG1 3.23Å; Y3-I7 WeakPolarHBondContact O-CG1 3.43Å; Y3-I7 PolarHBondContact O-N 3.46Å; Y3-D96 WeakPolarHBondContact CE1-OD1 3.38Å; Y3-D96 PolarHBondContact OH-OD1 3.02Å; Y3-L99 HydrophobicContact CD1-CD1 3.84Å; Y3-L99 HydrophobicContact CE1-CD1 4.22Å; Y3-A254 HydrophobicContact CD1-CB 3.45Å; Y3-A254 VanDerWaalsContact CD1-CB 3.45Å; Y3-A254 HydrophobicContact CD2-CB 3.74Å; Y3-A254 WeakPolarHBondContact CD2-O 3.45Å; Y3-A254 HydrophobicContact CE1-CB 3.65Å; Y3-A254 HydrophobicContact CE2-CB 3.95Å; Y3-A254 HydrophobicContact CG-CB 3.5Å; Y3-A254 VanDerWaalsContact CG-CB 3.5Å
4S94.5Very high93.5Very high23 Ų2356.1 Ų56.116%0.16128%0.282CS..Hα-helixtrans-56.2-42.3179.4-55.40000112.4N2 Q8N2-S4 PolarHBondContact O-N 3.07Å; N2-S4 PolarHBondContact OD1-N 3.44Å; S4-Q8 VanDerWaalsContact O-CG 3.31Å; S4-Q8 WeakPolarHBondContact O-CG 3.49Å; S4-Q8 PolarHBondContact O-N 2.75Å; S4-Q8 PolarHBondContact O-NE2 3.23Å
5A95.3Very high93.3Very high30 Ų3055.3 Ų55.325%0.24829%0.288CS..Hα-helixtrans-69.5-43.517700000112.4N2 Y3 Q8 N9N2-A5 HydrophobicContact CB-CB 4.12Å; N2-A5 PolarHBondContact O-N 2.83Å; N2-A5 PolarHBondContact OD1-N 2.96Å; N2-A5 VanDerWaalsContact OD1-N 3.14Å; Y3-A5 VanDerWaalsContact C-N 3.28Å; Y3-A5 PolarHBondContact O-N 3.34Å; A5-Q8 PolarHBondContact O-N 2.91Å; A5-N9 WeakPolarHBondContact O-CB 3.31Å; A5-N9 VanDerWaalsContact O-CG 3.29Å; A5-N9 PolarHBondContact O-N 3.07Å; A5-N9 PolarHBondContact O-ND2 3.47Å
6M96.9Very high93.4Very high25 Ų2552.9 Ų52.912%0.12328%0.275CS..Hα-helixtrans-65.8-41.2-179.3-65.5-51.499.500111.7M1 N2 Y3 Q8 N9 R10 L99 T102 E103M1-M6 HydrophobicContact CG-CB 4.48Å; M1-M6 HydrophobicContact CG-CG 3.55Å; M1-M6 HydrophobicContact SD-CG 3.87Å; N2-M6 WeakPolarHBondContact O-CG 3.48Å; N2-M6 PolarHBondContact O-N 2.97Å; Y3-M6 PolarHBondContact O-N 2.81Å; Y3-M6 VanDerWaalsContact O-N 3.14Å; M6-Q8 VanDerWaalsContact C-N 3.33Å; M6-Q8 PolarHBondContact O-N 3.18Å; M6-N9 PolarHBondContact O-N 3.14Å; M6-R10 VanDerWaalsContact O-CB 3.24Å; M6-R10 WeakPolarHBondContact O-CB 3.45Å; M6-R10 PolarHBondContact O-N 2.79Å; M6-L99 HydrophobicContact CB-CB 4.1Å; M6-L99 HydrophobicContact CB-CD2 3.95Å; M6-L99 HydrophobicContact CB-CG 4.5Å; M6-T102 HydrophobicContact SD-CG2 4.05Å; M6-E103 HydrophobicContact CG-CB 4.31Å; M6-E103 WeakPolarHBondContact SD-CA 3.41Å; M6-E103 HydrophobicContact SD-CB 3.59Å; M6-E103 VanDerWaalsContact SD-CB 3.59Å; M6-E103 HydrophobicContact SD-CG 4.19Å; M6-E103 PolarHBondContact SD-N 3.05Å
7I96.8Very high93.4Very high3 Ų355.8 Ų55.82%0.01528%0.281CS..Hα-helixtrans-62-41.3178.2-70.9169.6000111.2Y3 L99 A204 L207 H251 V255Y3-I7 WeakPolarHBondContact O-CB 3.36Å; Y3-I7 VanDerWaalsContact O-CG1 3.23Å; Y3-I7 WeakPolarHBondContact O-CG1 3.43Å; Y3-I7 PolarHBondContact O-N 3.46Å; I7-L99 HydrophobicContact CD1-CD1 4.28Å; I7-L99 HydrophobicContact CG1-CD1 3.72Å; I7-L99 HydrophobicContact CG1-CD2 3.86Å; I7-L99 HydrophobicContact CG1-CG 4.48Å; I7-A204 HydrophobicContact CD1-CB 3.95Å; I7-A204 HydrophobicContact CG2-CB 4.29Å; I7-L207 HydrophobicContact CG2-CB 3.75Å; I7-L207 HydrophobicContact CG2-CD1 4.03Å; I7-H251 HydrophobicContact CD1-CB 4.1Å; I7-H251 WeakPolarHBondContact CG2-ND1 3.45Å; I7-V255 HydrophobicContact CD1-CG2 3.96Å
8Q94.2Very high93.1Very high114 Ų11460.9 Ų60.953%0.53330%0.304SS..Hα-helixtrans-70.2-34177.7-73.2177.455.200113.1S4 A5 M6 Y203 L207S4-Q8 VanDerWaalsContact O-CG 3.31Å; S4-Q8 WeakPolarHBondContact O-CG 3.49Å; S4-Q8 PolarHBondContact O-N 2.75Å; S4-Q8 PolarHBondContact O-NE2 3.23Å; A5-Q8 PolarHBondContact O-N 2.91Å; M6-Q8 VanDerWaalsContact C-N 3.33Å; M6-Q8 PolarHBondContact O-N 3.18Å; Q8-Y203 HydrophobicContact CG-CE1 4.4Å; Q8-L207 HydrophobicContact CG-CD1 3.83Å
9N92.7Very high92.9Very high108 Ų10863.5 Ų63.558%0.57831%0.313SS*.Hα-helixtrans-83.8-26.8-178.6-71.3-25.4000113.2A5 M6 R11 T102A5-N9 WeakPolarHBondContact O-CB 3.31Å; A5-N9 VanDerWaalsContact O-CG 3.29Å; A5-N9 PolarHBondContact O-N 3.07Å; A5-N9 PolarHBondContact O-ND2 3.47Å; M6-N9 PolarHBondContact O-N 3.14Å; N9-R11 PolarHBondContact O-N 3.43Å; N9-T102 HydrophobicContact CB-CG2 4.07Å
10R93.8Very high92.8Very high25 Ų2567.6 Ų67.69%0.09433%0.331CS..  trans-63.6130.1-177.6-177.3-129.55979.61.4110.4M6 S12 E95 V98 L99 T102M6-R10 VanDerWaalsContact O-CB 3.24Å; M6-R10 WeakPolarHBondContact O-CB 3.45Å; M6-R10 PolarHBondContact O-N 2.79Å; R10-S12 PolarHBondContact NH1-OG 2.79Å; R10-E95 WeakPolarHBondContact CD-OE1 3.37Å; R10-E95 IonicContact NE-OE1 3.56Å; R10-V98 HydrophobicContact CG-CG1 3.77Å; R10-L99 HydrophobicContact CB-CD2 4.11Å; R10-L99 HydrophobicContact CG-CD2 4.39Å; R10-T102 HydrophobicContact CB-CG2 4.21Å
11R91.3Very high92.9Very high117 Ų11764.5 Ų64.544%0.44232%0.316SS..  trans-139.2150.617755.7177.5179.2-157-5.6110N9 V13 D107N9-R11 PolarHBondContact O-N 3.43Å; R11-V13 HydrophobicContact CG-CG2 4.03Å; R11-V13 PolarHBondContact O-N 3.32Å; R11-D107 IonicContact CZ-OD1 3.98Å; R11-D107 IonicContact NE-OD1 3.31Å; R11-D107 PolarHBondContact NE-OD1 3.18Å; R11-D107 IonicContact NH2-OD1 3.39Å; R11-D107 PolarHBondContact NH2-OD1 3.23Å
12S92.5Very high93.2Very high46 Ų4664.5 Ų64.532%0.32232%0.321SS..BIsolated β-bridgetrans-80.1114.1174.3-54.60000109R10 T108R10-S12 PolarHBondContact NH1-OG 2.79Å; S12-T108 WeakPolarHBondContact CA-O 3.41Å
13V92Very high93.3Very high16 Ų1665.2 Ų65.210%0.09733%0.333CS..  trans-103.3121.3-179.91700000110.1R11 A15 F16 D107 T108 C109R11-V13 HydrophobicContact CG-CG2 4.03Å; R11-V13 PolarHBondContact O-N 3.32Å; V13-A15 WeakPolarHBondContact CG1-O 3.14Å; V13-F16 HydrophobicContact CB-CE1 4.22Å; V13-F16 HydrophobicContact CB-CZ 4.33Å; V13-F16 HydrophobicContact CG1-CD1 4.17Å; V13-F16 HydrophobicContact CG1-CE1 3.94Å; V13-F16 HydrophobicContact CG1-CZ 4.26Å; V13-F16 WeakPolarHBondContact O-CE2 3.47Å; V13-F16 VanDerWaalsContact O-CZ 3.31Å; V13-F16 WeakPolarHBondContact O-CZ 3.3Å; V13-D107 HydrophobicContact CB-CB 3.78Å; V13-D107 HydrophobicContact CG1-CB 4.14Å; V13-D107 HydrophobicContact CG2-CB 3.54Å; V13-T108 PolarHBondContact N-O 2.77Å; V13-C109 VanDerWaalsContact O-CB 3.25Å; V13-C109 WeakPolarHBondContact O-CB 3.18Å
14H89.7Confident93.3Very high91 Ų9170.1 Ų70.142%0.42136%0.357SS..  trans-101.21-174.4-54.9164.3000113.3I70 C109H14-I70 HydrophobicContact CB-CD1 3.96Å; H14-C109 PolarHBondContact CD2-SG 3.46Å
15A91.3Very high93.5Very high44 Ų4469.6 Ų69.636%0.36435%0.354SS..  trans-141.8120.3179.300000109.4V13 G140 E141V13-A15 WeakPolarHBondContact CG1-O 3.14Å; A15-G140 WeakPolarHBondContact O-CA 3.5Å; A15-E141 HydrophobicContact CB-CB 4.16Å; A15-E141 HydrophobicContact CB-CG 4.08Å; A15-E141 PolarHBondContact O-N 2.85Å
16F93.8Very high93.6Very high18 Ų1869.5 Ų69.58%0.07935%0.349CS..BIsolated β-bridgetrans-111.6147.4-177.5-63.2-80.8000110.7V13 I70 G71 A72 D107 A136 G138 Y139V13-F16 HydrophobicContact CB-CE1 4.22Å; V13-F16 HydrophobicContact CB-CZ 4.33Å; V13-F16 HydrophobicContact CG1-CD1 4.17Å; V13-F16 HydrophobicContact CG1-CE1 3.94Å; V13-F16 HydrophobicContact CG1-CZ 4.26Å; V13-F16 WeakPolarHBondContact O-CE2 3.47Å; V13-F16 VanDerWaalsContact O-CZ 3.31Å; V13-F16 WeakPolarHBondContact O-CZ 3.3Å; F16-I70 HydrophobicContact CD2-CG2 4.01Å; F16-I70 HydrophobicContact CE2-CG2 3.63Å; F16-G71 WeakPolarHBondContact CD2-O 3.37Å; F16-A72 HydrophobicContact CD2-CB 3.56Å; F16-A72 HydrophobicContact CE2-CB 3.75Å; F16-A72 HydrophobicContact CG-CB 4.19Å; F16-D107 HydrophobicContact CE1-CB 4.11Å; F16-D107 WeakPolarHBondContact CE1-O 3.47Å; F16-A136 HydrophobicContact CE2-CB 4.06Å; F16-A136 HydrophobicContact CZ-CB 4.39Å; F16-G138 VanDerWaalsContact CD1-C 3.49Å; F16-Y139 CarbonylContact C-O 3.51Å
17R93.5Very high93.7Very high101 Ų10170.2 Ų70.238%0.38136%0.363SS..  trans-74.6156.2170-57.6-179-158.7165.516.7109.3K19 Y139 G140 E141 K142R17-K19 HydrophobicContact CB-CB 4.32Å; R17-K19 PolarHBondContact O-N 2.76Å; R17-Y139 WeakPolarHBondContact CB-O 3.49Å; R17-Y139 WeakPolarHBondContact CG-O 3.4Å; R17-Y139 PolarHBondContact N-O 2.86Å; R17-G140 VanDerWaalsContact CZ-O 3.28Å; R17-G140 PolarHBondContact NE-O 3.19Å; R17-G140 PolarHBondContact NH2-O 3.44Å; R17-E141 HydrophobicContact CG-CG 4.15Å; R17-K142 VanDerWaalsContact NH2-CG 3.34Å
18E87.4Confident93.7Very high149 Ų14973.7 Ų73.770%0.69638%0.379SS*.SBendtrans-66.8-1.6169.3-65.6-64.5160.600114E20 K53E18-E20 PolarHBondContact O-N 3.48Å; E18-K53 IonicContact OE1-NZ 3.44Å; E18-K53 PolarHBondContact OE1-NZ 3.33Å; E18-K53 IonicContact OE2-NZ 3.18Å; E18-K53 PolarHBondContact OE2-NZ 2.98Å
19K90.9Very high93.9Very high110 Ų11068.3 Ų68.348%0.47835%0.354SS..PPolyproline II helixtrans-66.9118.3177.4-178.3-174.5170.2-154.80109R17 Y139R17-K19 HydrophobicContact CB-CB 4.32Å; R17-K19 PolarHBondContact O-N 2.76Å; K19-Y139 HydrophobicContact CB-CD2 3.93Å; K19-Y139 HydrophobicContact CD-CD2 3.45Å; K19-Y139 VanDerWaalsContact CD-CD2 3.45Å; K19-Y139 HydrophobicContact CD-CE2 3.68Å; K19-Y139 HydrophobicContact CD-CG 4.05Å; K19-Y139 VanDerWaalsContact CE-CE2 3.44Å; K19-Y139 HydrophobicContact CG-CD2 3.63Å; K19-Y139 HydrophobicContact CG-CE2 3.94Å
20E89.4Confident94.2Very high144 Ų14467.9 Ų67.967%0.67334%0.344SS*.PPolyproline II helixtrans-64.4146177.2-162174.7-17300112.1E18 Y139E18-E20 PolarHBondContact O-N 3.48Å; E20-Y139 WeakPolarHBondContact O-CE2 3.44Å
21V95.7Very high94.4Very high3 Ų368.7 Ų68.72%0.01835%0.354CS..PPolyproline II helixtrans-79.3126.5173.4176.70000108.4S23 A25 I26 I106 F137 Y139V21-S23 PolarHBondContact O-N 2.75Å; V21-A25 HydrophobicContact CG1-CB 3.94Å; V21-I26 HydrophobicContact CG1-CG1 4.1Å; V21-I106 HydrophobicContact CG1-CD1 3.58Å; V21-I106 HydrophobicContact CG1-CG1 4.45Å; V21-I106 HydrophobicContact CG2-CG2 4.4Å; V21-F137 HydrophobicContact CB-CE2 4.27Å; V21-F137 HydrophobicContact CG1-CE2 4.2Å; V21-F137 HydrophobicContact CG2-CD2 4.05Å; V21-F137 HydrophobicContact CG2-CE2 3.99Å; V21-Y139 HydrophobicContact CG2-CE2 4.5Å
22P96Very high94.7Very high60 Ų6064.3 Ų64.339%0.3934%0.337SS..PPolyproline II helixtrans-56.9140.1-178.5-24.933.6000112.4E24 A25 I26 Y139P22-E24 PolarHBondContact O-N 3.24Å; P22-E24 VanDerWaalsContact O-N 3.12Å; P22-A25 WeakPolarHBondContact O-CB 3.41Å; P22-A25 PolarHBondContact O-N 2.87Å; P22-I26 PolarHBondContact O-N 2.67Å; P22-Y139 WeakPolarHBondContact CD-OH 3.25Å
23S95.3Very high95Very high104 Ų10463.1 Ų63.173%0.72733%0.326SS*.Hα-helixtrans-56.5-30.1176.9580000113.1V21 I26 G27V21-S23 PolarHBondContact O-N 2.75Å; S23-I26 PolarHBondContact O-N 3.26Å; S23-G27 PolarHBondContact O-N 2.76Å
24E97.3Very high95.3Very high141 Ų14168.4 Ų68.466%0.65935%0.35SS*.Hα-helixtrans-59.3-45.5172-172.7-176.416700111.9P22 G27 Q28P22-E24 PolarHBondContact O-N 3.24Å; P22-E24 VanDerWaalsContact O-N 3.12Å; E24-G27 PolarHBondContact O-N 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 3.44Å; E24-Q28 PolarHBondContact O-N 3.03Å
25A97.6Very high95.6Very high12 Ų1271.5 Ų71.510%0.09936%0.362CS..Hα-helixtrans-66.4-39.8178.600000111.4V21 P22 G27 Q28 L29 L104 I106V21-A25 HydrophobicContact CG1-CB 3.94Å; P22-A25 WeakPolarHBondContact O-CB 3.41Å; P22-A25 PolarHBondContact O-N 2.87Å; A25-G27 VanDerWaalsContact C-N 3.34Å; A25-Q28 PolarHBondContact O-N 3.27Å; A25-L29 WeakPolarHBondContact O-CB 3.5Å; A25-L29 PolarHBondContact O-N 2.88Å; A25-L104 HydrophobicContact CB-CD1 4.36Å; A25-I106 HydrophobicContact CB-CD1 3.93Å
26I97.5Very high95.9Very high29 Ų2973.4 Ų73.415%0.14937%0.369CS..Hα-helixtrans-62.8-42.4174-62.8174.9000110.6V21 P22 S23 L29 R30 V50V21-I26 HydrophobicContact CG1-CG1 4.1Å; P22-I26 PolarHBondContact O-N 2.67Å; S23-I26 PolarHBondContact O-N 3.26Å; I26-L29 PolarHBondContact O-N 3.12Å; I26-R30 WeakPolarHBondContact O-CG 3.43Å; I26-R30 PolarHBondContact O-N 3.38Å; I26-V50 HydrophobicContact CG2-CG1 4.3Å; I26-V50 HydrophobicContact CG2-CG2 4.33Å
27G98.1Very high96.1Very high39 Ų3972.7 Ų72.740%0.40237%0.366SS..Hα-helixtrans-62.6-42.6175.400000112.8S23 E24 A25 R30 S31S23-G27 PolarHBondContact O-N 2.76Å; E24-G27 PolarHBondContact O-N 3.31Å; A25-G27 VanDerWaalsContact C-N 3.34Å; G27-R30 PolarHBondContact O-N 3.11Å; G27-S31 PolarHBondContact O-N 3.32Å
28Q97.9Very high96.2Very high77 Ų7769.6 Ų69.636%0.3636%0.359SS..Hα-helixtrans-61.1-43.8173.8-73-173.944.100111.6E24 A25 S31 Y32E24-Q28 WeakPolarHBondContact O-CG 3.44Å; E24-Q28 PolarHBondContact O-N 3.03Å; A25-Q28 PolarHBondContact O-N 3.27Å; Q28-S31 PolarHBondContact O-N 2.86Å; Q28-Y32 VanDerWaalsContact O-CB 3.24Å; Q28-Y32 WeakPolarHBondContact O-CB 3.36Å; Q28-Y32 PolarHBondContact O-N 2.9Å
29L98.2Very high96.7Very high0 Ų066.2 Ų66.20%034%0.34CS..Hα-helixtrans-61.7-46.8177.2-176.570000112A25 I26 Y32 Y33 L76 L97 K100 L101A25-L29 WeakPolarHBondContact O-CB 3.5Å; A25-L29 PolarHBondContact O-N 2.88Å; I26-L29 PolarHBondContact O-N 3.12Å; L29-Y32 WeakPolarHBondContact O-CB 3.47Å; L29-Y32 PolarHBondContact O-N 3.29Å; L29-Y33 PolarHBondContact O-N 3.25Å; L29-L76 HydrophobicContact CD2-CD1 4.05Å; L29-L76 HydrophobicContact CD2-CD2 3.56Å; L29-L76 HydrophobicContact CD2-CG 4.37Å; L29-L97 HydrophobicContact CD1-CB 4.32Å; L29-L97 HydrophobicContact CD1-CD2 4.07Å; L29-K100 HydrophobicContact CD1-CB 4.43Å; L29-K100 HydrophobicContact CD1-CG 4.15Å; L29-L101 HydrophobicContact CD1-CD2 4.3Å; L29-L101 HydrophobicContact CD1-CG 4.13Å; L29-L101 HydrophobicContact CD2-CD2 4.07Å; L29-L101 HydrophobicContact CD2-CG 4.39Å
30R98.2Very high97Very high100 Ų10062.4 Ų62.438%0.37733%0.325SS..Hα-helixtrans-61.5-47.4177.7-72.9-177.3177.4-79.86.7111.9I26 G27 Y32 Y33 E34 L48 V50I26-R30 WeakPolarHBondContact O-CG 3.43Å; I26-R30 PolarHBondContact O-N 3.38Å; G27-R30 PolarHBondContact O-N 3.11Å; R30-Y32 PolarHBondContact O-N 3.04Å; R30-Y33 WeakPolarHBondContact O-CB 3.31Å; R30-Y33 PolarHBondContact O-N 2.94Å; R30-E34 WeakPolarHBondContact O-CG 3.41Å; R30-E34 PolarHBondContact O-N 3.36Å; R30-E34 VanDerWaalsContact O-N 3.08Å; R30-L48 PolarHBondContact NH1-O 3.48Å; R30-V50 HydrophobicContact CG-CG2 4.48Å
31S98.3Very high97.4Very high42 Ų4255.9 Ų55.929%0.29430%0.295SS..Hα-helixtrans-63.3-32.1176.5-176.80000112.1G27 Q28 K35G27-S31 PolarHBondContact O-N 3.32Å; Q28-S31 PolarHBondContact O-N 2.86Å; S31-K35 WeakPolarHBondContact O-CB 3.38Å; S31-K35 WeakPolarHBondContact O-CG 3.36Å; S31-K35 PolarHBondContact O-N 3.31Å; S31-K35 VanDerWaalsContact O-N 3.14Å; S31-K35 PolarHBondContact OG-NZ 3.02Å
32Y98.4Very high97.4Very high24 Ų2460.1 Ų60.19%0.09432%0.322CS..Hα-helixtrans-70.5-44177.1-177.2-93.5000111.4Q28 L29 R30 E34 K35 T36 C37 D96 L97 K100Q28-Y32 VanDerWaalsContact O-CB 3.24Å; Q28-Y32 WeakPolarHBondContact O-CB 3.36Å; Q28-Y32 PolarHBondContact O-N 2.9Å; L29-Y32 WeakPolarHBondContact O-CB 3.47Å; L29-Y32 PolarHBondContact O-N 3.29Å; R30-Y32 PolarHBondContact O-N 3.04Å; Y32-E34 VanDerWaalsContact C-N 3.34Å; Y32-E34 PolarHBondContact O-N 3.25Å; Y32-K35 PolarHBondContact O-N 3.4Å; Y32-T36 HydrophobicContact CD2-CG2 3.91Å; Y32-T36 HydrophobicContact CE2-CG2 3.41Å; Y32-T36 VanDerWaalsContact CE2-CG2 3.41Å; Y32-T36 CarbonylContact O-C 3.48Å; Y32-T36 WeakPolarHBondContact O-CA 3.25Å; Y32-T36 PolarHBondContact O-N 3.4Å; Y32-C37 HydrophobicContact CD1-CB 4.44Å; Y32-C37 HydrophobicContact CE1-CB 4.35Å; Y32-C37 PolarHBondContact O-N 3.43Å; Y32-D96 WeakPolarHBondContact CE1-OD2 3.43Å; Y32-D96 VanDerWaalsContact CZ-OD2 3.26Å; Y32-D96 PolarHBondContact OH-OD1 2.94Å; Y32-D96 PolarHBondContact OH-OD2 3.23Å; Y32-L97 HydrophobicContact CD1-CD2 3.99Å; Y32-L97 HydrophobicContact CE1-CD2 4.41Å; Y32-K100 HydrophobicContact CD1-CB 3.96Å; Y32-K100 HydrophobicContact CD1-CD 4.26Å; Y32-K100 HydrophobicContact CD1-CG 3.74Å; Y32-K100 HydrophobicContact CD2-CD 3.98Å; Y32-K100 HydrophobicContact CD2-CG 4.35Å; Y32-K100 HydrophobicContact CE1-CB 3.84Å; Y32-K100 HydrophobicContact CE1-CD 4.43Å; Y32-K100 HydrophobicContact CE1-CG 4.06Å; Y32-K100 HydrophobicContact CE2-CD 4.18Å; Y32-K100 HydrophobicContact CG-CD 4.03Å; Y32-K100 HydrophobicContact CG-CG 3.9Å
33Y98.6Very high97.5Very high21 Ų2164.2 Ų64.28%0.08234%0.336CS..Hα-helixtrans-54.8-46.3172167.8-102.1000112.9L29 R30 R39 T46 E47 L48 L78 M93 L97L29-Y33 PolarHBondContact O-N 3.25Å; R30-Y33 WeakPolarHBondContact O-CB 3.31Å; R30-Y33 PolarHBondContact O-N 2.94Å; Y33-R39 PolarHBondContact O-NH2 2.9Å; Y33-T46 WeakPolarHBondContact OH-CB 3.31Å; Y33-T46 PolarHBondContact OH-O 3.21Å; Y33-T46 PolarHBondContact OH-OG1 2.85Å; Y33-E47 WeakPolarHBondContact OH-CA 3.43Å; Y33-E47 PolarHBondContact OH-N 3.37Å; Y33-L48 HydrophobicContact CD1-CB 3.7Å; Y33-L48 HydrophobicContact CD1-CD2 4.32Å; Y33-L48 HydrophobicContact CD2-CB 3.84Å; Y33-L48 HydrophobicContact CD2-CD2 4.08Å; Y33-L48 HydrophobicContact CD2-CG 4.49Å; Y33-L48 HydrophobicContact CE1-CB 3.73Å; Y33-L48 HydrophobicContact CE2-CB 3.86Å; Y33-L48 HydrophobicContact CG-CB 3.77Å; Y33-L48 HydrophobicContact CG-CD2 3.76Å; Y33-L48 HydrophobicContact CG-CG 4.4Å; Y33-L78 HydrophobicContact CE2-CD1 3.99Å; Y33-M93 HydrophobicContact CD2-CE 4.41Å; Y33-M93 HydrophobicContact CE2-CE 3.74Å; Y33-L97 HydrophobicContact CD2-CD1 4.2Å
34E97.6Very high97.7Very high128 Ų12859.5 Ų59.560%0.59830%0.303SS*.Hα-helixtrans-69.3-41.9-177.6-71.6176.4-179.200112.8R30 Y32R30-E34 WeakPolarHBondContact O-CG 3.41Å; R30-E34 PolarHBondContact O-N 3.36Å; R30-E34 VanDerWaalsContact O-N 3.08Å; Y32-E34 VanDerWaalsContact C-N 3.34Å; Y32-E34 PolarHBondContact O-N 3.25Å
35K97.2Very high97.7Very high155 Ų15555.6 Ų55.667%0.67429%0.294SS*.Hα-helixtrans-106.7-25.3-165.4-60.9176.2-172.9159.10115.1S31 Y32S31-K35 WeakPolarHBondContact O-CB 3.38Å; S31-K35 WeakPolarHBondContact O-CG 3.36Å; S31-K35 PolarHBondContact O-N 3.31Å; S31-K35 VanDerWaalsContact O-N 3.14Å; S31-K35 PolarHBondContact OG-NZ 3.02Å; Y32-K35 PolarHBondContact O-N 3.4Å
36T96.8Very high97.8Very high85 Ų8556.2 Ų56.252%0.52130%0.297SS..THydrogen-bonded Turntrans-128.8-36.6-164.3-47.40000113.3Y32Y32-T36 HydrophobicContact CD2-CG2 3.91Å; Y32-T36 HydrophobicContact CE2-CG2 3.41Å; Y32-T36 VanDerWaalsContact CE2-CG2 3.41Å; Y32-T36 CarbonylContact O-C 3.48Å; Y32-T36 WeakPolarHBondContact O-CA 3.25Å; Y32-T36 PolarHBondContact O-N 3.4Å
37C97.7Very high97.8Very high2 Ų259.3 Ų59.31%0.01431%0.311CS..  trans-52.6121-176.1-178.10000111.2Y32 R39 L97Y32-C37 HydrophobicContact CD1-CB 4.44Å; Y32-C37 HydrophobicContact CE1-CB 4.35Å; Y32-C37 PolarHBondContact O-N 3.43Å; C37-R39 PolarHBondContact O-NH1 3.39Å; C37-L97 HydrophobicContact CB-CD2 4.26Å
38P96.4Very high97.8Very high36 Ų3657.9 Ų57.923%0.23429%0.294CS..  trans-73.4141.8-176.733.7-34.4000109.7Y92 M93 D96 L250P38-Y92 HydrophobicContact CB-CE1 3.97Å; P38-Y92 HydrophobicContact CG-CE1 3.9Å; P38-M93 WeakPolarHBondContact O-CG 3.37Å; P38-D96 WeakPolarHBondContact CD-OD2 3.19Å; P38-D96 HydrophobicContact CG-CB 4.14Å; P38-L250 HydrophobicContact CG-CD1 4.05Å
39R97.5Very high97.8Very high78 Ų7855.6 Ų55.629%0.29428%0.284SS..  trans-112.8126.6178.8-62.8175.1175.767.91.3108.1Y33 C37 V41 P42 M93Y33-R39 PolarHBondContact O-NH2 2.9Å; C37-R39 PolarHBondContact O-NH1 3.39Å; R39-V41 VanDerWaalsContact C-N 3.32Å; R39-P42 HydrophobicContact CB-CB 4.36Å; R39-P42 HydrophobicContact CB-CG 4.29Å; R39-M93 HydrophobicContact CB-SD 4.38Å; R39-M93 HydrophobicContact CG-CE 3.82Å; R39-M93 HydrophobicContact CG-CG 4.29Å; R39-M93 HydrophobicContact CG-SD 3.82Å
40L97.5Very high97.8Very high30 Ų3056.4 Ų56.416%0.15729%0.289CS..SBendtrans-69.5-37.3176.7-174.464.9000110.8I88 N89 Y92 M249 W265 L267L40-I88 HydrophobicContact CD2-CG2 3.53Å; L40-N89 PolarHBondContact N-OD1 3Å; L40-Y92 HydrophobicContact CB-CD1 3.94Å; L40-Y92 HydrophobicContact CB-CD2 4.15Å; L40-Y92 HydrophobicContact CB-CG 3.74Å; L40-Y92 HydrophobicContact CD1-CD2 3.93Å; L40-Y92 HydrophobicContact CD1-CE2 3.96Å; L40-Y92 HydrophobicContact CD1-CG 4.4Å; L40-Y92 HydrophobicContact CD2-CD2 4.2Å; L40-Y92 HydrophobicContact CD2-CG 4.34Å; L40-Y92 HydrophobicContact CG-CD2 4.33Å; L40-Y92 HydrophobicContact CG-CG 4.4Å; L40-M249 HydrophobicContact CD2-CE 3.7Å; L40-M249 HydrophobicContact CD2-SD 4.33Å; L40-W265 HydrophobicContact CD1-CB 4.13Å; L40-W265 HydrophobicContact CD1-CG 4.49Å; L40-L267 HydrophobicContact CD2-CD1 4.17Å; L40-L267 HydrophobicContact CD2-CD2 4.12Å; L40-L267 HydrophobicContact CG-CD1 4.36Å
41V97.9Very high97.8Very high7 Ų752.7 Ų52.74%0.04228%0.276CS..SBendtrans-127.783.7178.1-169.90000108.2R39 E43 I44 Y85 N89 L267R39-V41 VanDerWaalsContact C-N 3.32Å; V41-E43 HydrophobicContact CG1-CG 3.9Å; V41-E43 VanDerWaalsContact CG1-OE1 3.27Å; V41-E43 WeakPolarHBondContact CG1-OE1 3.2Å; V41-E43 WeakPolarHBondContact CG1-OE2 3.44Å; V41-E43 PolarHBondContact O-N 3.01Å; V41-E43 VanDerWaalsContact O-N 3.14Å; V41-I44 HydrophobicContact CB-CD1 3.65Å; V41-I44 HydrophobicContact CB-CG1 4Å; V41-I44 HydrophobicContact CG1-CD1 3.66Å; V41-I44 HydrophobicContact CG1-CG1 3.67Å; V41-I44 HydrophobicContact CG2-CD1 4.3Å; V41-I44 PolarHBondContact O-N 3.48Å; V41-I44 VanDerWaalsContact O-N 3.11Å; V41-Y85 HydrophobicContact CG2-CD2 4.37Å; V41-N89 HydrophobicContact CB-CB 4.31Å; V41-N89 HydrophobicContact CG2-CB 4.26Å; V41-N89 PolarHBondContact N-OD1 3.33Å; V41-L267 HydrophobicContact CG2-CD1 3.74Å
42P96.7Very high97.6Very high92 Ų9255 Ų5560%0.59729%0.285SS*.THydrogen-bonded Turntrans-60.1-23.4-169.7-2534.9000115.6R39 I44R39-P42 HydrophobicContact CB-CB 4.36Å; R39-P42 HydrophobicContact CB-CG 4.29Å; P42-I44 VanDerWaalsContact C-N 3.28Å; P42-I44 PolarHBondContact O-N 3.48Å
43E97.4Very high97.3Very high146 Ų14657.6 Ų57.668%0.68230%0.297SS*.THydrogen-bonded Turntrans-72.8-17.5178.164.9-91.1-144.900113.7V41 A45V41-E43 HydrophobicContact CG1-CG 3.9Å; V41-E43 VanDerWaalsContact CG1-OE1 3.27Å; V41-E43 WeakPolarHBondContact CG1-OE1 3.2Å; V41-E43 WeakPolarHBondContact CG1-OE2 3.44Å; V41-E43 PolarHBondContact O-N 3.01Å; V41-E43 VanDerWaalsContact O-N 3.14Å; E43-A45 PolarHBondContact O-N 3.4Å
44I98.3Very high97.1Very high6 Ų664 Ų643%0.03133%0.333CS..SBendtrans-75.7114.5176.4-59.1175.4000108.8V41 P42 T46 S80 A81 H83 N89V41-I44 HydrophobicContact CB-CD1 3.65Å; V41-I44 HydrophobicContact CB-CG1 4Å; V41-I44 HydrophobicContact CG1-CD1 3.66Å; V41-I44 HydrophobicContact CG1-CG1 3.67Å; V41-I44 HydrophobicContact CG2-CD1 4.3Å; V41-I44 PolarHBondContact O-N 3.48Å; V41-I44 VanDerWaalsContact O-N 3.11Å; P42-I44 VanDerWaalsContact C-N 3.28Å; P42-I44 PolarHBondContact O-N 3.48Å; I44-T46 HydrophobicContact CG2-CG2 4.35Å; I44-T46 PolarHBondContact O-N 2.79Å; I44-S80 WeakPolarHBondContact CG2-OG 3.24Å; I44-A81 HydrophobicContact CG2-CB 4.46Å; I44-H83 HydrophobicContact CD1-CB 3.77Å; I44-H83 WeakPolarHBondContact CD1-ND1 3.44Å; I44-H83 HydrophobicContact CG1-CB 3.94Å; I44-N89 HydrophobicContact CD1-CB 4.01Å
45A98.3Very high96.9Very high58 Ų5858.4 Ų58.448%0.47931%0.309SS..  trans-63132.5171.800000110.2E43 A81E43-A45 PolarHBondContact O-N 3.4Å; A45-A81 HydrophobicContact CB-CB 4.15Å; A45-A81 PolarHBondContact O-N 2.95Å
46T98.6Very high96.7Very high26 Ų2652.9 Ų52.916%0.1629%0.285CS..EExtended strand (participates in β ladder)trans-134.2158.5178.752.40000110.2Y33 I44 M79 M93Y33-T46 WeakPolarHBondContact OH-CB 3.31Å; Y33-T46 PolarHBondContact OH-O 3.21Å; Y33-T46 PolarHBondContact OH-OG1 2.85Å; I44-T46 HydrophobicContact CG2-CG2 4.35Å; I44-T46 PolarHBondContact O-N 2.79Å; T46-M79 CarbonylContact C-O 3.53Å; T46-M79 WeakPolarHBondContact CA-O 3.4Å; T46-M79 WeakPolarHBondContact CB-O 3.41Å; T46-M93 HydrophobicContact CG2-CE 4.31Å; T46-M93 HydrophobicContact CG2-SD 3.98Å
47E98.5Very high96.4Very high94 Ų9453.1 Ų53.144%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-139.4135.3172.7-176-175.5163.100109.5Y33 I49 M79 L129Y33-E47 WeakPolarHBondContact OH-CA 3.43Å; Y33-E47 PolarHBondContact OH-N 3.37Å; E47-I49 HydrophobicContact CG-CG1 4.43Å; E47-M79 HydrophobicContact CB-CB 4.16Å; E47-M79 PolarHBondContact N-O 2.63Å; E47-M79 PolarHBondContact O-N 2.92Å; E47-L129 HydrophobicContact CB-CD1 3.76Å
48L98.6Very high96.1Very high8 Ų854 Ų544%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-103.4117.5176-175.670.3000110.9R30 Y33 L76 L78 M94 L97R30-L48 PolarHBondContact NH1-O 3.48Å; Y33-L48 HydrophobicContact CD1-CB 3.7Å; Y33-L48 HydrophobicContact CD1-CD2 4.32Å; Y33-L48 HydrophobicContact CD2-CB 3.84Å; Y33-L48 HydrophobicContact CD2-CD2 4.08Å; Y33-L48 HydrophobicContact CD2-CG 4.49Å; Y33-L48 HydrophobicContact CE1-CB 3.73Å; Y33-L48 HydrophobicContact CE2-CB 3.86Å; Y33-L48 HydrophobicContact CG-CB 3.77Å; Y33-L48 HydrophobicContact CG-CD2 3.76Å; Y33-L48 HydrophobicContact CG-CG 4.4Å; L48-L76 HydrophobicContact CD1-CB 4.26Å; L48-L76 HydrophobicContact CD1-CD2 4.32Å; L48-L78 HydrophobicContact CD1-CD1 4.48Å; L48-M94 HydrophobicContact CD1-CE 4.48Å; L48-L97 HydrophobicContact CD1-CD1 3.81Å; L48-L97 HydrophobicContact CD2-CD1 3.82Å; L48-L97 HydrophobicContact CG-CD1 4.44Å
49I98.2Very high95.9Very high29 Ų2952.3 Ų52.315%0.14929%0.285CS..EExtended strand (participates in β ladder)trans-105.2129.3174.8-55.6171.8000108.1E47 L51 L77 M79 L125E47-I49 HydrophobicContact CG-CG1 4.43Å; I49-L51 HydrophobicContact CG2-CD2 3.67Å; I49-L51 HydrophobicContact CG2-CG 4.18Å; I49-L77 HydrophobicContact CB-CB 4.21Å; I49-L77 HydrophobicContact CB-CD2 4.49Å; I49-L77 HydrophobicContact CD1-CD2 4.2Å; I49-L77 PolarHBondContact N-O 3.42Å; I49-L77 PolarHBondContact O-N 2.85Å; I49-M79 HydrophobicContact CD1-CG 3.8Å; I49-M79 HydrophobicContact CD1-SD 4.39Å; I49-M79 HydrophobicContact CG1-CG 4.4Å; I49-L125 HydrophobicContact CD1-CD1 4.13Å; I49-L125 HydrophobicContact CD1-CD2 4.16Å
50V97.8Very high95.5Very high17 Ų1753 Ų5310%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-101.5117.9170.2-175.90000106.5I26 R30 L76 F137I26-V50 HydrophobicContact CG2-CG1 4.3Å; I26-V50 HydrophobicContact CG2-CG2 4.33Å; R30-V50 HydrophobicContact CG-CG2 4.48Å; V50-L76 HydrophobicContact CG2-CD2 3.81Å; V50-F137 HydrophobicContact CG1-CE1 4.09Å; V50-F137 HydrophobicContact CG1-CZ 3.79Å
51L96.6Very high94.8Very high22 Ų2256.1 Ų56.112%0.11532%0.315CS..EExtended strand (participates in β ladder)trans-101.3141.2179.1-57.2170.9000109.2I49 A55 L59 H74 Y75 L77 L123I49-L51 HydrophobicContact CG2-CD2 3.67Å; I49-L51 HydrophobicContact CG2-CG 4.18Å; L51-A55 HydrophobicContact CB-CB 3.76Å; L51-A55 HydrophobicContact CD1-CB 4.1Å; L51-A55 HydrophobicContact CD2-CB 4.44Å; L51-A55 HydrophobicContact CG-CB 4.32Å; L51-L59 HydrophobicContact CD1-CD1 4.24Å; L51-H74 CarbonylContact O-C 3.38Å; L51-H74 WeakPolarHBondContact O-CA 3.45Å; L51-H74 WeakPolarHBondContact O-CB 3.36Å; L51-Y75 PolarHBondContact N-O 2.9Å; L51-Y75 PolarHBondContact O-N 2.96Å; L51-L77 HydrophobicContact CD1-CB 4.08Å; L51-L77 HydrophobicContact CD1-CD2 4.28Å; L51-L77 HydrophobicContact CG-CB 4.49Å; L51-L123 HydrophobicContact CD1-CD1 3.68Å; L51-L123 HydrophobicContact CD1-CD2 4.31Å; L51-L123 HydrophobicContact CD2-CD1 4.39Å
52D94.8Very high94.3Very high90 Ų9056.4 Ų56.448%0.48132%0.318SS..EExtended strand (participates in β ladder)trans-88.3173.9173-60.5-41.9000111.4D54 A55 P73 H74D52-D54 PolarHBondContact O-N 3.01Å; D52-A55 WeakPolarHBondContact O-CB 3.49Å; D52-A55 PolarHBondContact O-N 3.31Å; D52-P73 CarbonylContact C-O 3.48Å; D52-H74 IonicContact OD1-CE1 2.67Å; D52-H74 PolarHBondContact OD1-CE1 3.39Å; D52-H74 IonicContact OD1-ND1 2.76Å; D52-H74 PolarHBondContact OD1-ND1 2.88Å
53K93.2Very high94Very high80 Ų8052.2 Ų52.235%0.34829%0.291SS..G310 helixtrans-50.9-29.7-178.7-166.6178.6-171.4179.90113.7E18 A55 Q56 P73E18-K53 IonicContact OE1-NZ 3.44Å; E18-K53 PolarHBondContact OE1-NZ 3.33Å; E18-K53 IonicContact OE2-NZ 3.18Å; E18-K53 PolarHBondContact OE2-NZ 2.98Å; K53-A55 PolarHBondContact O-N 3.14Å; K53-A55 VanDerWaalsContact O-N 3.13Å; K53-Q56 WeakPolarHBondContact O-CB 3.32Å; K53-Q56 PolarHBondContact O-N 2.93Å; K53-P73 PolarHBondContact N-O 2.94Å
54D93.2Very high93.3Very high154 Ų15445.6 Ų45.682%0.82426%0.262SS*.G310 helixtrans-62.1-18.7178-66.5-16.5000113.5D52 Q56 P57D52-D54 PolarHBondContact O-N 3.01Å; D54-Q56 VanDerWaalsContact C-N 3.34Å; D54-P57 WeakPolarHBondContact O-CD 3.46Å
55A93.3Very high92.3Very high12 Ų1247.7 Ų47.710%0.09927%0.27CS..G310 helixtrans-78.2-15.5173.300000113.5L51 D52 K53 A58 L59 L123L51-A55 HydrophobicContact CB-CB 3.76Å; L51-A55 HydrophobicContact CD1-CB 4.1Å; L51-A55 HydrophobicContact CD2-CB 4.44Å; L51-A55 HydrophobicContact CG-CB 4.32Å; D52-A55 WeakPolarHBondContact O-CB 3.49Å; D52-A55 PolarHBondContact O-N 3.31Å; K53-A55 PolarHBondContact O-N 3.14Å; K53-A55 VanDerWaalsContact O-N 3.13Å; A55-A58 WeakPolarHBondContact O-CB 3.31Å; A55-A58 PolarHBondContact O-N 3.3Å; A55-A58 VanDerWaalsContact O-N 3.13Å; A55-L59 WeakPolarHBondContact O-CG 3.24Å; A55-L59 PolarHBondContact O-N 3.14Å; A55-L123 HydrophobicContact CB-CD2 3.9Å
56Q93.2Very high91.2Very high39 Ų3953.5 Ų53.518%0.18228%0.284CS..Hα-helixtrans-55-49.1-175.6-177.4-176.5-2900112.7K53 D54 A58 L59 E60 L69 Y75K53-Q56 WeakPolarHBondContact O-CB 3.32Å; K53-Q56 PolarHBondContact O-N 2.93Å; D54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-A58 VanDerWaalsContact C-N 3.26Å; Q56-A58 PolarHBondContact O-N 3.24Å; Q56-L59 PolarHBondContact O-N 3.27Å; Q56-L59 VanDerWaalsContact O-N 3.11Å; Q56-E60 HydrophobicContact CG-CG 4.22Å; Q56-E60 PolarHBondContact NE2-OE1 3.43Å; Q56-E60 WeakPolarHBondContact O-CG 3.14Å; Q56-E60 PolarHBondContact O-N 3.46Å; Q56-L69 HydrophobicContact CG-CD2 3.91Å; Q56-Y75 HydrophobicContact CB-CE2 4.12Å
57P91.5Very high89.7Confident89 Ų8960.9 Ų60.958%0.57832%0.317SS*.Hα-helixtrans-61.4-33.5179.6-2335.1000113.5D54D54-P57 WeakPolarHBondContact O-CD 3.46Å
58A90.2Very high88.8Confident22 Ų2263 Ų6318%0.18233%0.325CS..Hα-helixtrans-68.2-43.317600000111A55 Q56 S61 S62 A122 L123A55-A58 WeakPolarHBondContact O-CB 3.31Å; A55-A58 PolarHBondContact O-N 3.3Å; A55-A58 VanDerWaalsContact O-N 3.13Å; Q56-A58 VanDerWaalsContact C-N 3.26Å; Q56-A58 PolarHBondContact O-N 3.24Å; A58-S61 PolarHBondContact O-OG 3.27Å; A58-S62 PolarHBondContact O-OG 2.93Å; A58-A122 HydrophobicContact CB-CB 4Å; A58-L123 HydrophobicContact CB-CD2 3.83Å
59L92.7Very high88.2Confident0 Ų063.2 Ų63.20%033%0.326CS..Hα-helixtrans-70.2-35.4178.6-68.8178.2000113L51 A55 Q56 S61 S62 A63 L69 Y75 I119 L123 I134L51-L59 HydrophobicContact CD1-CD1 4.24Å; A55-L59 WeakPolarHBondContact O-CG 3.24Å; A55-L59 PolarHBondContact O-N 3.14Å; Q56-L59 PolarHBondContact O-N 3.27Å; Q56-L59 VanDerWaalsContact O-N 3.11Å; L59-S61 PolarHBondContact O-N 3.29Å; L59-S62 PolarHBondContact O-N 2.89Å; L59-A63 HydrophobicContact CD2-CB 4.5Å; L59-A63 PolarHBondContact O-N 3.43Å; L59-L69 HydrophobicContact CB-CD1 4.17Å; L59-L69 HydrophobicContact CB-CD2 3.6Å; L59-Y75 HydrophobicContact CD1-CD1 3.93Å; L59-Y75 HydrophobicContact CD1-CD2 3.85Å; L59-Y75 HydrophobicContact CD1-CE1 4.31Å; L59-Y75 HydrophobicContact CD1-CE2 4.26Å; L59-Y75 HydrophobicContact CD1-CG 3.68Å; L59-I119 HydrophobicContact CD2-CG2 4.13Å; L59-L123 HydrophobicContact CD2-CD1 4.16Å; L59-I134 HydrophobicContact CD2-CD1 4.32Å
60E89.1Confident87.8Confident93 Ų9362.1 Ų62.144%0.43532%0.321SS..Hα-helixtrans-56.9-27.9179.9-80.5175.4179.200112.8Q56 L69Q56-E60 HydrophobicContact CG-CG 4.22Å; Q56-E60 PolarHBondContact NE2-OE1 3.43Å; Q56-E60 WeakPolarHBondContact O-CG 3.14Å; Q56-E60 PolarHBondContact O-N 3.46Å; E60-L69 HydrophobicContact CB-CD2 4.49Å; E60-L69 HydrophobicContact CG-CB 3.97Å; E60-L69 HydrophobicContact CG-CD2 3.71Å; E60-L69 HydrophobicContact CG-CG 4.5Å
61S82.5Confident87.5Confident94 Ų9462.9 Ų62.966%0.65733%0.332SS*.THydrogen-bonded Turntrans-79.3-15177.773.70000114.7A58 L59A58-S61 PolarHBondContact O-OG 3.27Å; L59-S61 PolarHBondContact O-N 3.29Å
62S88Confident87.4Confident14 Ų1462 Ų6210%0.09833%0.328CS..THydrogen-bonded Turntrans-141-12-163.958.10000115.6A58 L59 I119A58-S62 PolarHBondContact O-OG 2.93Å; L59-S62 PolarHBondContact O-N 2.89Å; S62-I119 WeakPolarHBondContact OG-CG1 3.1Å
63A89.3Confident87.4Confident3 Ų358.4 Ų58.43%0.02531%0.309CS..BIsolated β-bridgetrans-137.5164.6-179.100000111.2L59 L69 T112 F113 I134L59-A63 HydrophobicContact CD2-CB 4.5Å; L59-A63 PolarHBondContact O-N 3.43Å; A63-L69 HydrophobicContact CB-CD1 3.94Å; A63-T112 CarbonylContact C-O 3.6Å; A63-T112 VanDerWaalsContact CA-O 3.3Å; A63-T112 WeakPolarHBondContact CA-O 3.26Å; A63-F113 HydrophobicContact CB-CB 4.16Å; A63-I134 HydrophobicContact CB-CD1 3.92Å
64G83.3Confident87.6Confident7 Ų754.8 Ų54.87%0.07229%0.294CS..SBendtrans108.1162.7-177.600000114.1K66 F68 T112G64-K66 PolarHBondContact O-N 2.9Å; G64-K66 VanDerWaalsContact O-N 3.11Å; G64-F68 CarbonylContact C-O 3.47Å; G64-F68 VanDerWaalsContact CA-O 3.26Å; G64-F68 WeakPolarHBondContact CA-O 3.34Å; G64-T112 PolarHBondContact N-O 3.11Å; G64-T112 PolarHBondContact O-OG1 3.27Å
65Y78.1Confident87.8Confident50 Ų5047.5 Ų47.520%0.19625%0.254CS..BIsolated β-bridgetrans-73.3101.9-175.3-63.9-76.5000110.3Q67 F68 W110 M111 T112 Y211 L212Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.3Å; Y65-F68 PolarHBondContact N-O 3.4Å; Y65-F68 VanDerWaalsContact O-CB 3.27Å; Y65-F68 WeakPolarHBondContact O-CB 3.29Å; Y65-F68 PolarHBondContact O-N 3.06Å; Y65-W110 WeakPolarHBondContact CE2-O 3.26Å; Y65-W110 VanDerWaalsContact CZ-O 3.27Å; Y65-W110 PolarHBondContact OH-O 2.87Å; Y65-M111 HydrophobicContact CE2-CE 4.09Å; Y65-T112 WeakPolarHBondContact CA-OG1 3.24Å; Y65-T112 HydrophobicContact CD1-CG2 3.56Å; Y65-T112 HydrophobicContact CE1-CG2 3.39Å; Y65-T112 PolarHBondContact N-OG1 3.19Å; Y65-Y211 HydrophobicContact CD1-CE2 4.32Å; Y65-Y211 HydrophobicContact CE1-CD2 4.44Å; Y65-Y211 HydrophobicContact CE1-CE2 4.47Å; Y65-L212 HydrophobicContact CD1-CD2 4.19Å; Y65-L212 HydrophobicContact CE1-CD2 4.48Å
66K73.9Confident88.1Confident181 Ų18146.9 Ų46.979%0.78725%0.25SC*.THydrogen-bonded Turntrans51.949.9-173.3-58.7-176.4177-177.80111.8G64 F68G64-K66 PolarHBondContact O-N 2.9Å; G64-K66 VanDerWaalsContact O-N 3.11Å; K66-F68 PolarHBondContact O-N 3.26Å
67Q67.7Low88.3Confident180 Ų18045 Ų4584%0.84124%0.241SC*.THydrogen-bonded Turntrans69.511.6-176.9-51.2175.2-18.100114.8Y65Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.3Å
68F79.1Confident88.7Confident139 Ų13940.8 Ų40.861%0.6121%0.213SC*.BIsolated β-bridgetrans-98.995.3169.5-170.9-99.9000110.2G64 Y65 K66 I70G64-F68 CarbonylContact C-O 3.47Å; G64-F68 VanDerWaalsContact CA-O 3.26Å; G64-F68 WeakPolarHBondContact CA-O 3.34Å; Y65-F68 PolarHBondContact N-O 3.4Å; Y65-F68 VanDerWaalsContact O-CB 3.27Å; Y65-F68 WeakPolarHBondContact O-CB 3.29Å; Y65-F68 PolarHBondContact O-N 3.06Å; K66-F68 PolarHBondContact O-N 3.26Å; F68-I70 HydrophobicContact CD1-CD1 3.95Å; F68-I70 HydrophobicContact CE1-CD1 3.54Å
69L87.5Confident89.1Confident13 Ų1339.8 Ų39.87%0.06821%0.205CC..PPolyproline II helixtrans-78.4137.7171.6-170.478000109.8Q56 L59 E60 A63 G71 Y75 M111Q56-L69 HydrophobicContact CG-CD2 3.91Å; L59-L69 HydrophobicContact CB-CD1 4.17Å; L59-L69 HydrophobicContact CB-CD2 3.6Å; E60-L69 HydrophobicContact CB-CD2 4.49Å; E60-L69 HydrophobicContact CG-CB 3.97Å; E60-L69 HydrophobicContact CG-CD2 3.71Å; E60-L69 HydrophobicContact CG-CG 4.5Å; A63-L69 HydrophobicContact CB-CD1 3.94Å; L69-G71 PolarHBondContact O-N 3.43Å; L69-Y75 HydrophobicContact CD1-CE1 4.46Å; L69-Y75 HydrophobicContact CD2-CE1 4.31Å; L69-Y75 HydrophobicContact CG-CE1 4.42Å; L69-M111 HydrophobicContact CD1-CG 4.22Å; L69-M111 HydrophobicContact CD1-SD 3.9Å; L69-M111 HydrophobicContact CG-SD 4.48Å
70I89.1Confident89.3Confident6 Ų639.9 Ų39.93%0.03121%0.205CC..PPolyproline II helixtrans-76.9117.8168.4-56.2-55.6000108.6H14 F16 F68 A72 Y75 M111H14-I70 HydrophobicContact CB-CD1 3.96Å; F16-I70 HydrophobicContact CD2-CG2 4.01Å; F16-I70 HydrophobicContact CE2-CG2 3.63Å; F68-I70 HydrophobicContact CD1-CD1 3.95Å; F68-I70 HydrophobicContact CE1-CD1 3.54Å; I70-A72 PolarHBondContact O-N 2.86Å; I70-Y75 WeakPolarHBondContact O-CE1 3.4Å; I70-Y75 PolarHBondContact O-OH 3.29Å; I70-M111 HydrophobicContact CB-CE 3.6Å; I70-M111 HydrophobicContact CB-SD 3.72Å; I70-M111 HydrophobicContact CG1-CE 3.33Å; I70-M111 HydrophobicContact CG1-SD 3.86Å
71G91.9Very high89.8Confident33 Ų3336.6 Ų36.634%0.3419%0.194SC..PPolyproline II helixtrans-67.4126.1173.200000111.3F16 L69 Y75F16-G71 WeakPolarHBondContact CD2-O 3.37Å; L69-G71 PolarHBondContact O-N 3.43Å; G71-Y75 WeakPolarHBondContact CA-OH 3.35Å
72A94.8Very high90.5Very high3 Ų336.7 Ų36.73%0.02519%0.193CC..  trans-146.4155.9-175.300000111.4F16 I70 H74 Y75 A136F16-A72 HydrophobicContact CD2-CB 3.56Å; F16-A72 HydrophobicContact CE2-CB 3.75Å; F16-A72 HydrophobicContact CG-CB 4.19Å; I70-A72 PolarHBondContact O-N 2.86Å; A72-H74 PolarHBondContact O-N 2.82Å; A72-Y75 HydrophobicContact CB-CE1 4.14Å; A72-Y75 HydrophobicContact CB-CE2 4.44Å; A72-Y75 PolarHBondContact N-OH 2.91Å; A72-A136 HydrophobicContact CB-CB 3.75Å
73P94.9Very high91Very high15 Ų1539.9 Ų39.910%0.09721%0.206CC..SBendtrans-67.1-27.2177.926.7-33.7000112.7D52 K53 F137D52-P73 CarbonylContact C-O 3.48Å; K53-P73 PolarHBondContact N-O 2.94Å; P73-F137 WeakPolarHBondContact CD-O 3.48Å; P73-F137 WeakPolarHBondContact CG-O 3.13Å
74H97Very high91.4Very high4 Ų444.6 Ų44.62%0.01924%0.239CC..EExtended strand (participates in β ladder)trans-145.6160.4176.2-54.2-82.9000112.2L51 D52 A72 F137L51-H74 CarbonylContact O-C 3.38Å; L51-H74 WeakPolarHBondContact O-CA 3.45Å; L51-H74 WeakPolarHBondContact O-CB 3.36Å; D52-H74 IonicContact OD1-CE1 2.67Å; D52-H74 PolarHBondContact OD1-CE1 3.39Å; D52-H74 IonicContact OD1-ND1 2.76Å; D52-H74 PolarHBondContact OD1-ND1 2.88Å; A72-H74 PolarHBondContact O-N 2.82Å; H74-F137 HydrophobicContact CB-CD1 3.87Å; H74-F137 HydrophobicContact CB-CD2 4.16Å; H74-F137 HydrophobicContact CB-CE1 3.29Å; H74-F137 HydrophobicContact CB-CE2 3.64Å; H74-F137 HydrophobicContact CB-CG 4.29Å; H74-F137 HydrophobicContact CB-CZ 3.18Å; H74-F137 AromaticContact CD2-CE2 3.94Å; H74-F137 AromaticContact CG-CE2 3.98Å; H74-F137 AromaticContact CG-CZ 3.77Å; H74-F137 PolarHBondContact N-O 2.95Å; H74-F137 PolarHBondContact O-N 3.24Å
75Y97.5Very high92.1Very high0 Ų047.1 Ų47.10%025%0.247CC..EExtended strand (participates in β ladder)trans-132.5134.9173.5-56.5-94.2000110.6L51 Q56 L59 L69 I70 G71 A72 I134 V135 A136L51-Y75 PolarHBondContact N-O 2.9Å; L51-Y75 PolarHBondContact O-N 2.96Å; Q56-Y75 HydrophobicContact CB-CE2 4.12Å; L59-Y75 HydrophobicContact CD1-CD1 3.93Å; L59-Y75 HydrophobicContact CD1-CD2 3.85Å; L59-Y75 HydrophobicContact CD1-CE1 4.31Å; L59-Y75 HydrophobicContact CD1-CE2 4.26Å; L59-Y75 HydrophobicContact CD1-CG 3.68Å; L69-Y75 HydrophobicContact CD1-CE1 4.46Å; L69-Y75 HydrophobicContact CD2-CE1 4.31Å; L69-Y75 HydrophobicContact CG-CE1 4.42Å; I70-Y75 WeakPolarHBondContact O-CE1 3.4Å; I70-Y75 PolarHBondContact O-OH 3.29Å; G71-Y75 WeakPolarHBondContact CA-OH 3.35Å; A72-Y75 HydrophobicContact CB-CE1 4.14Å; A72-Y75 HydrophobicContact CB-CE2 4.44Å; A72-Y75 PolarHBondContact N-OH 2.91Å; Y75-I134 HydrophobicContact CD1-CG2 4.49Å; Y75-V135 CarbonylContact C-O 3.29Å; Y75-V135 VanDerWaalsContact CA-O 3.29Å; Y75-V135 WeakPolarHBondContact CA-O 3.48Å; Y75-A136 HydrophobicContact CD1-CB 3.83Å; Y75-A136 HydrophobicContact CE1-CB 3.74Å
76L98.3Very high93Very high0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-84.6132.4163-61-177.9000109.1L29 L48 V50 M94 L97 L101 I134 V135 F137L29-L76 HydrophobicContact CD2-CD1 4.05Å; L29-L76 HydrophobicContact CD2-CD2 3.56Å; L29-L76 HydrophobicContact CD2-CG 4.37Å; L48-L76 HydrophobicContact CD1-CB 4.26Å; L48-L76 HydrophobicContact CD1-CD2 4.32Å; V50-L76 HydrophobicContact CG2-CD2 3.81Å; L76-M94 HydrophobicContact CB-CE 3.89Å; L76-M94 HydrophobicContact CB-SD 3.96Å; L76-M94 HydrophobicContact CD1-SD 3.88Å; L76-L97 HydrophobicContact CD1-CB 4.29Å; L76-L101 HydrophobicContact CD1-CD1 3.88Å; L76-I134 CarbonylContact O-C 3.48Å; L76-I134 VanDerWaalsContact O-CA 3.27Å; L76-I134 WeakPolarHBondContact O-CA 3.39Å; L76-V135 HydrophobicContact CB-CB 4.3Å; L76-V135 PolarHBondContact N-O 3.41Å; L76-V135 PolarHBondContact O-N 3.16Å; L76-F137 HydrophobicContact CD2-CD1 4.18Å; L76-F137 HydrophobicContact CD2-CE1 3.59Å; L76-F137 HydrophobicContact CD2-CZ 4.25Å; L76-F137 HydrophobicContact CG-CD1 3.82Å; L76-F137 HydrophobicContact CG-CE1 3.75Å
77L98.4Very high94.2Very high0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-122.9109.3172.9-178.774.6000107.5I49 L51 M79 I119 L123 L125 V131 I134I49-L77 HydrophobicContact CB-CB 4.21Å; I49-L77 HydrophobicContact CB-CD2 4.49Å; I49-L77 HydrophobicContact CD1-CD2 4.2Å; I49-L77 PolarHBondContact N-O 3.42Å; I49-L77 PolarHBondContact O-N 2.85Å; L51-L77 HydrophobicContact CD1-CB 4.08Å; L51-L77 HydrophobicContact CD1-CD2 4.28Å; L51-L77 HydrophobicContact CG-CB 4.49Å; L77-M79 HydrophobicContact CD1-SD 4.49Å; L77-M79 HydrophobicContact CD2-SD 3.75Å; L77-M79 HydrophobicContact CG-SD 3.83Å; L77-I119 HydrophobicContact CD1-CG2 4.29Å; L77-L123 HydrophobicContact CD2-CD1 3.76Å; L77-L125 HydrophobicContact CD2-CD1 3.64Å; L77-V131 HydrophobicContact CD1-CB 4.31Å; L77-V131 HydrophobicContact CD1-CG1 3.38Å; L77-V131 HydrophobicContact CD1-CG2 4.03Å; L77-V131 HydrophobicContact CG-CG1 4.48Å; L77-I134 HydrophobicContact CD1-CD1 4.07Å; L77-I134 HydrophobicContact CD1-CG1 3.59Å
78L98.7Very high95.7Very high0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-92118.9173.9-177.867.3000108.8Y33 L48 A90 M93 M94 A132 A133Y33-L78 HydrophobicContact CE2-CD1 3.99Å; L48-L78 HydrophobicContact CD1-CD1 4.48Å; L78-A90 HydrophobicContact CD2-CB 3.83Å; L78-M93 HydrophobicContact CD2-CB 4.15Å; L78-M94 HydrophobicContact CB-CE 3.39Å; L78-M94 HydrophobicContact CD2-CB 4.35Å; L78-A132 WeakPolarHBondContact O-CB 3.43Å; L78-A132 PolarHBondContact O-N 2.81Å; L78-A133 HydrophobicContact CB-CB 4.31Å; L78-A133 PolarHBondContact N-O 2.97Å; L78-A133 PolarHBondContact O-N 2.92Å
79M98.6Very high96.6Very high0 Ų023.4 Ų23.40%015%0.149CC..EExtended strand (participates in β ladder)trans-93.3144.5172.1-52-60-68.300109.4T46 E47 I49 L77 K120 L125 T127 L129 E130 V131T46-M79 CarbonylContact C-O 3.53Å; T46-M79 WeakPolarHBondContact CA-O 3.4Å; T46-M79 WeakPolarHBondContact CB-O 3.41Å; E47-M79 HydrophobicContact CB-CB 4.16Å; E47-M79 PolarHBondContact N-O 2.63Å; E47-M79 PolarHBondContact O-N 2.92Å; I49-M79 HydrophobicContact CD1-CG 3.8Å; I49-M79 HydrophobicContact CD1-SD 4.39Å; I49-M79 HydrophobicContact CG1-CG 4.4Å; L77-M79 HydrophobicContact CD1-SD 4.49Å; L77-M79 HydrophobicContact CD2-SD 3.75Å; L77-M79 HydrophobicContact CG-SD 3.83Å; M79-K120 HydrophobicContact CE-CD 4.09Å; M79-K120 HydrophobicContact CE-CG 4.05Å; M79-L125 HydrophobicContact SD-CD1 4.43Å; M79-T127 HydrophobicContact CE-CG2 3.81Å; M79-L129 HydrophobicContact CB-CB 3.82Å; M79-L129 HydrophobicContact CB-CD1 3.81Å; M79-L129 HydrophobicContact CB-CG 4.48Å; M79-L129 HydrophobicContact CE-CB 4.28Å; M79-E130 CarbonylContact C-O 3.54Å; M79-E130 VanDerWaalsContact CA-O 3.27Å; M79-E130 WeakPolarHBondContact CA-O 3.18Å; M79-V131 HydrophobicContact CE-CG2 3.91Å; M79-V131 HydrophobicContact SD-CB 4.39Å; M79-V131 HydrophobicContact SD-CG2 3.77Å
80S98.7Very high97.1Very high2 Ų222.9 Ų22.91%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-135.3144.3178.9-177.90000110.9I44 A86 E130I44-S80 WeakPolarHBondContact CG2-OG 3.24Å; S80-A86 WeakPolarHBondContact OG-CB 3.49Å; S80-E130 PolarHBondContact N-O 2.82Å; S80-E130 PolarHBondContact O-N 3.36Å
81A98.5Very high97.6Very high24 Ų2422.6 Ų22.620%0.19815%0.145CC..  trans-62146.8164.700000109.7I44 A45 H83 L129I44-A81 HydrophobicContact CG2-CB 4.46Å; A45-A81 HydrophobicContact CB-CB 4.15Å; A45-A81 PolarHBondContact O-N 2.95Å; A81-H83 PolarHBondContact O-N 3.13Å; A81-L129 HydrophobicContact CB-CD2 4.01Å
82P97.5Very high97.9Very high97 Ų9722.1 Ų22.163%0.6313%0.133SC*.SBendtrans-56.4122.5174.2-24.933.7000111.3E130P82-E130 HydrophobicContact CG-CG 4.24Å
83H98Very high98.1Very high81 Ų8122 Ų2238%0.37513%0.132SC..  trans-159.4150.3179-167.2-96.9000110.1I44 A81 Y85 A86I44-H83 HydrophobicContact CD1-CB 3.77Å; I44-H83 WeakPolarHBondContact CD1-ND1 3.44Å; I44-H83 HydrophobicContact CG1-CB 3.94Å; A81-H83 PolarHBondContact O-N 3.13Å; H83-Y85 AromaticContact CE1-CD2 3.68Å; H83-Y85 PolarHBondContact ND1-N 3.46Å; H83-Y85 PolarHBondContact O-N 3.25Å; H83-A86 HydrophobicContact CB-CB 4.16Å; H83-A86 VanDerWaalsContact O-CB 3.24Å; H83-A86 WeakPolarHBondContact O-CB 3.18Å; H83-A86 PolarHBondContact O-N 3.25Å
84S97Very high98.3Very high102 Ų10221.2 Ų21.271%0.71313%0.127SC*.THydrogen-bonded Turntrans-60.9-28.5178.754.60000113.1
85Y98.3Very high98.4Very high60 Ų6021 Ų2124%0.23513%0.126CC..THydrogen-bonded Turntrans-101.911.3176.4-56-42.7000114.4V41 H83 A87 I88 N89 L267 S268V41-Y85 HydrophobicContact CG2-CD2 4.37Å; H83-Y85 AromaticContact CE1-CD2 3.68Å; H83-Y85 PolarHBondContact ND1-N 3.46Å; H83-Y85 PolarHBondContact O-N 3.25Å; Y85-A87 VanDerWaalsContact C-N 3.35Å; Y85-A87 PolarHBondContact O-N 2.74Å; Y85-I88 PolarHBondContact O-N 2.86Å; Y85-N89 VanDerWaalsContact O-CB 3.25Å; Y85-N89 WeakPolarHBondContact O-CB 3.38Å; Y85-N89 PolarHBondContact O-N 3.19Å; Y85-L267 HydrophobicContact CD1-CB 4.49Å; Y85-L267 HydrophobicContact CD1-CD1 4.04Å; Y85-L267 HydrophobicContact CD2-CD1 3.77Å; Y85-L267 HydrophobicContact CE1-CB 4.05Å; Y85-L267 HydrophobicContact CE1-CD1 4.41Å; Y85-L267 HydrophobicContact CE2-CB 4.06Å; Y85-L267 HydrophobicContact CE2-CD1 4.16Å; Y85-L267 HydrophobicContact CG-CD1 3.72Å; Y85-L267 PolarHBondContact OH-O 2.82Å; Y85-S268 WeakPolarHBondContact CE1-OG 3.43Å; Y85-S268 WeakPolarHBondContact OH-CB 3.49Å; Y85-S268 PolarHBondContact OH-OG 3.11Å; Y85-S268 VanDerWaalsContact OH-OG 3.14Å
86A98.4Very high98.4Very high17 Ų1721 Ų2114%0.1413%0.126CC..Hα-helixtrans-55.5-47.6-177.100000112.4S80 H83 N89 A90S80-A86 WeakPolarHBondContact OG-CB 3.49Å; H83-A86 HydrophobicContact CB-CB 4.16Å; H83-A86 VanDerWaalsContact O-CB 3.24Å; H83-A86 WeakPolarHBondContact O-CB 3.18Å; H83-A86 PolarHBondContact O-N 3.25Å; A86-N89 PolarHBondContact O-N 3.14Å; A86-A90 VanDerWaalsContact O-CB 3.27Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.76Å
87A98.2Very high98.5Very high21 Ų2121 Ų2117%0.17413%0.126CC..Hα-helixtrans-68-44.7-178.800000112.8Y85 N89 A90 G91 L239 A242 L243Y85-A87 VanDerWaalsContact C-N 3.35Å; Y85-A87 PolarHBondContact O-N 2.74Å; A87-N89 VanDerWaalsContact C-N 3.33Å; A87-N89 PolarHBondContact O-N 3.23Å; A87-A90 PolarHBondContact O-N 3.28Å; A87-G91 PolarHBondContact O-N 2.86Å; A87-L239 HydrophobicContact CB-CD1 3.78Å; A87-A242 HydrophobicContact CB-CB 3.48Å; A87-A242 VanDerWaalsContact CB-CB 3.48Å; A87-L243 WeakPolarHBondContact O-CD2 3.47Å
88I98.6Very high98.5Very high14 Ų1421 Ų217%0.07213%0.126CC..Hα-helixtrans-62.2-43.7176.7-60.2-174.5000110.6L40 Y85 A90 G91 Y92 A242 L245 G246 M249L40-I88 HydrophobicContact CD2-CG2 3.53Å; Y85-I88 PolarHBondContact O-N 2.86Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.13Å; I88-G91 PolarHBondContact O-N 3.02Å; I88-Y92 PolarHBondContact O-N 3.42Å; I88-Y92 VanDerWaalsContact O-N 3.07Å; I88-A242 WeakPolarHBondContact CA-O 3.27Å; I88-A242 HydrophobicContact CG1-CB 3.76Å; I88-L245 HydrophobicContact CD1-CD1 4.36Å; I88-G246 VanDerWaalsContact O-CA 3.23Å; I88-G246 WeakPolarHBondContact O-CA 3.36Å; I88-M249 HydrophobicContact CG2-CE 3.13Å
89N98.7Very high98.5Very high0 Ų021 Ų210%013%0.126CC..Hα-helixtrans-62.6-40.9175.4-17762.2000111.7L40 V41 I44 Y85 A86 A87 Y92 M93L40-N89 PolarHBondContact N-OD1 3Å; V41-N89 HydrophobicContact CB-CB 4.31Å; V41-N89 HydrophobicContact CG2-CB 4.26Å; V41-N89 PolarHBondContact N-OD1 3.33Å; I44-N89 HydrophobicContact CD1-CB 4.01Å; Y85-N89 VanDerWaalsContact O-CB 3.25Å; Y85-N89 WeakPolarHBondContact O-CB 3.38Å; Y85-N89 PolarHBondContact O-N 3.19Å; A86-N89 PolarHBondContact O-N 3.14Å; A87-N89 VanDerWaalsContact C-N 3.33Å; A87-N89 PolarHBondContact O-N 3.23Å; N89-Y92 PolarHBondContact O-N 3.31Å; N89-M93 PolarHBondContact ND2-SD 3.41Å; N89-M93 WeakPolarHBondContact O-CB 2.98Å; N89-M93 VanDerWaalsContact O-CG 3.28Å; N89-M93 WeakPolarHBondContact O-CG 3.48Å; N89-M93 PolarHBondContact O-N 3.19Å
90A98.8Very high98.5Very high1 Ų122.1 Ų22.11%0.00813%0.131CC..Hα-helixtrans-63.9-41176.500000112.6L78 A86 A87 I88 Y92 M93 M94 A132 A133 L243L78-A90 HydrophobicContact CD2-CB 3.83Å; A86-A90 VanDerWaalsContact O-CB 3.27Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.76Å; A87-A90 PolarHBondContact O-N 3.28Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.13Å; A90-Y92 VanDerWaalsContact C-N 3.34Å; A90-Y92 PolarHBondContact O-N 2.91Å; A90-M93 PolarHBondContact O-N 3.08Å; A90-M94 WeakPolarHBondContact O-CB 3.49Å; A90-M94 PolarHBondContact O-N 3.22Å; A90-A132 HydrophobicContact CB-CB 3.52Å; A90-A133 HydrophobicContact CB-CB 4.34Å; A90-L243 HydrophobicContact CB-CD2 4.03Å
91G98.7Very high98.5Very high0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-57.8-47.8173.400000111.8A87 I88 E95A87-G91 PolarHBondContact O-N 2.86Å; I88-G91 PolarHBondContact O-N 3.02Å; G91-E95 WeakPolarHBondContact O-CB 3.49Å; G91-E95 PolarHBondContact O-N 3.42Å; G91-E95 VanDerWaalsContact O-N 3.12Å
92Y98.8Very high98.4Very high23 Ų2321.8 Ų21.89%0.0913%0.126CC..Hα-helixtrans-63.5-46.2179-168.6-82.4000112.5P38 L40 I88 N89 A90 G246 M249 L250 S253P38-Y92 HydrophobicContact CB-CE1 3.97Å; P38-Y92 HydrophobicContact CG-CE1 3.9Å; L40-Y92 HydrophobicContact CB-CD1 3.94Å; L40-Y92 HydrophobicContact CB-CD2 4.15Å; L40-Y92 HydrophobicContact CB-CG 3.74Å; L40-Y92 HydrophobicContact CD1-CD2 3.93Å; L40-Y92 HydrophobicContact CD1-CE2 3.96Å; L40-Y92 HydrophobicContact CD1-CG 4.4Å; L40-Y92 HydrophobicContact CD2-CD2 4.2Å; L40-Y92 HydrophobicContact CD2-CG 4.34Å; L40-Y92 HydrophobicContact CG-CD2 4.33Å; L40-Y92 HydrophobicContact CG-CG 4.4Å; I88-Y92 PolarHBondContact O-N 3.42Å; I88-Y92 VanDerWaalsContact O-N 3.07Å; N89-Y92 PolarHBondContact O-N 3.31Å; A90-Y92 VanDerWaalsContact C-N 3.34Å; A90-Y92 PolarHBondContact O-N 2.91Å; Y92-G246 WeakPolarHBondContact CA-O 3.47Å; Y92-G246 WeakPolarHBondContact CD2-O 3.47Å; Y92-M249 HydrophobicContact CD2-CB 3.93Å; Y92-M249 HydrophobicContact CE2-CB 4.17Å; Y92-L250 HydrophobicContact CD1-CD1 4.06Å; Y92-L250 HydrophobicContact CD2-CB 3.78Å; Y92-L250 HydrophobicContact CE1-CD1 3.65Å; Y92-L250 VanDerWaalsContact CE2-CA 3.43Å; Y92-L250 HydrophobicContact CE2-CB 3.89Å; Y92-L250 HydrophobicContact CE2-CD1 4.18Å; Y92-L250 HydrophobicContact CG-CB 4.13Å; Y92-L250 HydrophobicContact CG-CD1 4.47Å; Y92-L250 WeakPolarHBondContact O-CD2 3.43Å; Y92-S253 PolarHBondContact OH-OG 3.35Å
93M98.7Very high98.4Very high0 Ų020.6 Ų20.60%011%0.112CC..Hα-helixtrans-70.9-48.3-179-70.8179.866.400112.4Y33 P38 R39 T46 L78 N89 A90 E95 D96 L97Y33-M93 HydrophobicContact CD2-CE 4.41Å; Y33-M93 HydrophobicContact CE2-CE 3.74Å; P38-M93 WeakPolarHBondContact O-CG 3.37Å; R39-M93 HydrophobicContact CB-SD 4.38Å; R39-M93 HydrophobicContact CG-CE 3.82Å; R39-M93 HydrophobicContact CG-CG 4.29Å; R39-M93 HydrophobicContact CG-SD 3.82Å; T46-M93 HydrophobicContact CG2-CE 4.31Å; T46-M93 HydrophobicContact CG2-SD 3.98Å; L78-M93 HydrophobicContact CD2-CB 4.15Å; N89-M93 PolarHBondContact ND2-SD 3.41Å; N89-M93 WeakPolarHBondContact O-CB 2.98Å; N89-M93 VanDerWaalsContact O-CG 3.28Å; N89-M93 WeakPolarHBondContact O-CG 3.48Å; N89-M93 PolarHBondContact O-N 3.19Å; A90-M93 PolarHBondContact O-N 3.08Å; M93-E95 VanDerWaalsContact C-N 3.32Å; M93-E95 PolarHBondContact O-N 3.07Å; M93-D96 WeakPolarHBondContact O-CB 3.47Å; M93-D96 PolarHBondContact O-N 2.87Å; M93-D96 VanDerWaalsContact O-N 3.16Å; M93-L97 PolarHBondContact O-N 3.08Å
94M98.8Very high98.4Very high0 Ų018.5 Ų18.50%010%0.104CC..Hα-helixtrans-68.3-32.8-174.9-175.967.589.400111.4L48 L76 L78 A90 D96 L97 V98 W110 A133 V135L48-M94 HydrophobicContact CD1-CE 4.48Å; L76-M94 HydrophobicContact CB-CE 3.89Å; L76-M94 HydrophobicContact CB-SD 3.96Å; L76-M94 HydrophobicContact CD1-SD 3.88Å; L78-M94 HydrophobicContact CB-CE 3.39Å; L78-M94 HydrophobicContact CD2-CB 4.35Å; A90-M94 WeakPolarHBondContact O-CB 3.49Å; A90-M94 PolarHBondContact O-N 3.22Å; M94-D96 VanDerWaalsContact C-N 3.3Å; M94-D96 PolarHBondContact O-N 3.22Å; M94-L97 WeakPolarHBondContact O-CB 3.45Å; M94-L97 PolarHBondContact O-N 2.93Å; M94-L97 HydrophobicContact SD-CB 4.45Å; M94-L97 HydrophobicContact SD-CD1 4.11Å; M94-V98 WeakPolarHBondContact O-CG2 3.46Å; M94-V98 PolarHBondContact O-N 2.86Å; M94-W110 HydrophobicContact CB-CH2 3.57Å; M94-W110 HydrophobicContact CB-CZ2 3.96Å; M94-W110 HydrophobicContact CB-CZ3 4.39Å; M94-W110 HydrophobicContact CG-CH2 3.65Å; M94-W110 HydrophobicContact CG-CZ2 3.88Å; M94-W110 HydrophobicContact CG-CZ3 4.16Å; M94-A133 HydrophobicContact CB-CB 4.12Å; M94-A133 HydrophobicContact CE-CB 3.86Å; M94-A133 HydrophobicContact CG-CB 4.12Å; M94-V135 HydrophobicContact CE-CG2 4.48Å; M94-V135 HydrophobicContact CG-CG2 3.52Å; M94-V135 HydrophobicContact SD-CB 4.29Å; M94-V135 HydrophobicContact SD-CG2 3.91Å
95E98.8Very high98.3Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-66.2-33.5173.8-170.365.4-174.200111.9R10 G91 M93 L97 V98 L99 W110 P209 I247 L250 H251R10-E95 WeakPolarHBondContact CD-OE1 3.37Å; R10-E95 IonicContact NE-OE1 3.56Å; G91-E95 WeakPolarHBondContact O-CB 3.49Å; G91-E95 PolarHBondContact O-N 3.42Å; G91-E95 VanDerWaalsContact O-N 3.12Å; M93-E95 VanDerWaalsContact C-N 3.32Å; M93-E95 PolarHBondContact O-N 3.07Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 3.47Å; E95-V98 WeakPolarHBondContact O-CB 3.4Å; E95-V98 PolarHBondContact O-N 3.16Å; E95-V98 VanDerWaalsContact O-N 3.16Å; E95-L99 WeakPolarHBondContact O-CG 3.33Å; E95-L99 PolarHBondContact O-N 2.87Å; E95-W110 HydrophobicContact CB-CZ2 4.3Å; E95-W110 PolarHBondContact OE2-NE1 3.32Å; E95-P209 VanDerWaalsContact OE1-CD 3.25Å; E95-P209 WeakPolarHBondContact OE1-CD 3.15Å; E95-P209 VanDerWaalsContact OE1-CG 3.31Å; E95-P209 WeakPolarHBondContact OE1-CG 3.23Å; E95-P209 WeakPolarHBondContact OE2-CG 3.22Å; E95-I247 HydrophobicContact CB-CB 4.37Å; E95-I247 HydrophobicContact CB-CG1 4.1Å; E95-I247 HydrophobicContact CB-CG2 4.14Å; E95-I247 HydrophobicContact CG-CB 4.47Å; E95-I247 HydrophobicContact CG-CG2 3.72Å; E95-L250 VanDerWaalsContact C-CD2 3.47Å; E95-L250 HydrophobicContact CB-CD2 3.59Å; E95-L250 HydrophobicContact CG-CD2 3.8Å; E95-H251 WeakPolarHBondContact CG-NE2 3.49Å; E95-H251 IonicContact OE1-CE1 3.21Å; E95-H251 IonicContact OE1-NE2 3.93Å; E95-H251 PolarHBondContact OE1-NE2 2.86Å; E95-H251 VanDerWaalsContact OE1-NE2 3.08Å
96D98.7Very high98.3Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-65.9-36.5175.1-172.774.2000111.1Y3 Y32 P38 M93 M94 L99 K100 L250Y3-D96 WeakPolarHBondContact CE1-OD1 3.38Å; Y3-D96 PolarHBondContact OH-OD1 3.02Å; Y32-D96 WeakPolarHBondContact CE1-OD2 3.43Å; Y32-D96 VanDerWaalsContact CZ-OD2 3.26Å; Y32-D96 PolarHBondContact OH-OD1 2.94Å; Y32-D96 PolarHBondContact OH-OD2 3.23Å; P38-D96 WeakPolarHBondContact CD-OD2 3.19Å; P38-D96 HydrophobicContact CG-CB 4.14Å; M93-D96 WeakPolarHBondContact O-CB 3.47Å; M93-D96 PolarHBondContact O-N 2.87Å; M93-D96 VanDerWaalsContact O-N 3.16Å; M94-D96 VanDerWaalsContact C-N 3.3Å; M94-D96 PolarHBondContact O-N 3.22Å; D96-L99 PolarHBondContact O-N 3.35Å; D96-K100 WeakPolarHBondContact O-CB 3.25Å; D96-K100 PolarHBondContact O-N 2.76Å; D96-L250 HydrophobicContact CB-CD1 4.09Å; D96-L250 HydrophobicContact CB-CD2 3.73Å
97L98.8Very high98.2Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-67.5-37.6171.9-60.5176.8000112.3L29 Y32 Y33 C37 L48 L76 M93 M94 E95 K100 L101L29-L97 HydrophobicContact CD1-CB 4.32Å; L29-L97 HydrophobicContact CD1-CD2 4.07Å; Y32-L97 HydrophobicContact CD1-CD2 3.99Å; Y32-L97 HydrophobicContact CE1-CD2 4.41Å; Y33-L97 HydrophobicContact CD2-CD1 4.2Å; C37-L97 HydrophobicContact CB-CD2 4.26Å; L48-L97 HydrophobicContact CD1-CD1 3.81Å; L48-L97 HydrophobicContact CD2-CD1 3.82Å; L48-L97 HydrophobicContact CG-CD1 4.44Å; L76-L97 HydrophobicContact CD1-CB 4.29Å; M93-L97 PolarHBondContact O-N 3.08Å; M94-L97 WeakPolarHBondContact O-CB 3.45Å; M94-L97 PolarHBondContact O-N 2.93Å; M94-L97 HydrophobicContact SD-CB 4.45Å; M94-L97 HydrophobicContact SD-CD1 4.11Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 3.47Å; L97-K100 WeakPolarHBondContact O-CB 3.17Å; L97-K100 PolarHBondContact O-N 2.88Å; L97-L101 WeakPolarHBondContact O-CG 3.21Å; L97-L101 PolarHBondContact O-N 3.25Å
98V98.8Very high98.2Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-61.6-44.5172.9160.90000111.1R10 M94 E95 K100 L101 T102 T108 V135R10-V98 HydrophobicContact CG-CG1 3.77Å; M94-V98 WeakPolarHBondContact O-CG2 3.46Å; M94-V98 PolarHBondContact O-N 2.86Å; E95-V98 WeakPolarHBondContact O-CB 3.4Å; E95-V98 PolarHBondContact O-N 3.16Å; E95-V98 VanDerWaalsContact O-N 3.16Å; V98-K100 VanDerWaalsContact C-N 3.31Å; V98-L101 PolarHBondContact O-N 3.11Å; V98-T102 PolarHBondContact O-N 2.77Å; V98-T102 PolarHBondContact O-OG1 2.86Å; V98-T108 HydrophobicContact CG1-CG2 4.43Å; V98-T108 WeakPolarHBondContact CG1-OG1 3.44Å; V98-T108 HydrophobicContact CG2-CG2 4.46Å; V98-V135 HydrophobicContact CG2-CB 4.48Å; V98-V135 HydrophobicContact CG2-CG1 3.9Å; V98-V135 HydrophobicContact CG2-CG2 3.88Å
99L98.6Very high98Very high0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-66.5-35.9175.8-64.5179.8000111.1M1 Y3 M6 I7 R10 E95 D96 T102 E103 L250M1-L99 HydrophobicContact CE-CB 3.55Å; M1-L99 HydrophobicContact SD-CB 3.87Å; M1-L99 VanDerWaalsContact SD-O 3.35Å; Y3-L99 HydrophobicContact CD1-CD1 3.84Å; Y3-L99 HydrophobicContact CE1-CD1 4.22Å; M6-L99 HydrophobicContact CB-CB 4.1Å; M6-L99 HydrophobicContact CB-CD2 3.95Å; M6-L99 HydrophobicContact CB-CG 4.5Å; I7-L99 HydrophobicContact CD1-CD1 4.28Å; I7-L99 HydrophobicContact CG1-CD1 3.72Å; I7-L99 HydrophobicContact CG1-CD2 3.86Å; I7-L99 HydrophobicContact CG1-CG 4.48Å; R10-L99 HydrophobicContact CB-CD2 4.11Å; R10-L99 HydrophobicContact CG-CD2 4.39Å; E95-L99 WeakPolarHBondContact O-CG 3.33Å; E95-L99 PolarHBondContact O-N 2.87Å; D96-L99 PolarHBondContact O-N 3.35Å; L99-T102 WeakPolarHBondContact O-CB 3.4Å; L99-T102 PolarHBondContact O-N 3.44Å; L99-E103 PolarHBondContact O-N 2.95Å; L99-L250 HydrophobicContact CD1-CD2 4.21Å
100K98.5Very high97.9Very high22 Ų2217.4 Ų17.410%0.0969%0.087CC..Hα-helixtrans-63.9-40.4173.1179.260.9-173.41740112.3M1 L29 Y32 D96 L97 V98 T102 E103 L104M1-K100 VanDerWaalsContact SD-CA 3.59Å; M1-K100 HydrophobicContact SD-CB 4.3Å; M1-K100 PolarHBondContact SD-N 2.86Å; M1-K100 VanDerWaalsContact SD-N 3.43Å; L29-K100 HydrophobicContact CD1-CB 4.43Å; L29-K100 HydrophobicContact CD1-CG 4.15Å; Y32-K100 HydrophobicContact CD1-CB 3.96Å; Y32-K100 HydrophobicContact CD1-CD 4.26Å; Y32-K100 HydrophobicContact CD1-CG 3.74Å; Y32-K100 HydrophobicContact CD2-CD 3.98Å; Y32-K100 HydrophobicContact CD2-CG 4.35Å; Y32-K100 HydrophobicContact CE1-CB 3.84Å; Y32-K100 HydrophobicContact CE1-CD 4.43Å; Y32-K100 HydrophobicContact CE1-CG 4.06Å; Y32-K100 HydrophobicContact CE2-CD 4.18Å; Y32-K100 HydrophobicContact CG-CD 4.03Å; Y32-K100 HydrophobicContact CG-CG 3.9Å; D96-K100 WeakPolarHBondContact O-CB 3.25Å; D96-K100 PolarHBondContact O-N 2.76Å; L97-K100 WeakPolarHBondContact O-CB 3.17Å; L97-K100 PolarHBondContact O-N 2.88Å; V98-K100 VanDerWaalsContact C-N 3.31Å; K100-T102 VanDerWaalsContact C-N 3.31Å; K100-E103 WeakPolarHBondContact CD-OE2 3.49Å; K100-E103 IonicContact NZ-OE2 2.87Å; K100-E103 PolarHBondContact NZ-OE2 3.45Å; K100-E103 WeakPolarHBondContact O-CB 3.41Å; K100-E103 PolarHBondContact O-N 2.92Å; K100-L104 WeakPolarHBondContact O-CG 3.49Å; K100-L104 PolarHBondContact O-N 3.38Å
101L98.3Very high97.7Very high1 Ų117.5 Ų17.51%0.0059%0.088CC..Hα-helixtrans-64.1-38.3172.7-75.7172.5000111.6L29 L76 L97 V98 E103 L104 D105 I106 T108 F137L29-L101 HydrophobicContact CD1-CD2 4.3Å; L29-L101 HydrophobicContact CD1-CG 4.13Å; L29-L101 HydrophobicContact CD2-CD2 4.07Å; L29-L101 HydrophobicContact CD2-CG 4.39Å; L76-L101 HydrophobicContact CD1-CD1 3.88Å; L97-L101 WeakPolarHBondContact O-CG 3.21Å; L97-L101 PolarHBondContact O-N 3.25Å; V98-L101 PolarHBondContact O-N 3.11Å; L101-E103 VanDerWaalsContact C-N 3.3Å; L101-E103 PolarHBondContact O-N 3.26Å; L101-L104 CarbonylContact O-C 3.52Å; L101-L104 WeakPolarHBondContact O-CA 3.44Å; L101-L104 PolarHBondContact O-N 3.23Å; L101-D105 PolarHBondContact O-N 2.72Å; L101-I106 CarbonylContact C-O 3.6Å; L101-I106 HydrophobicContact CB-CB 4.26Å; L101-I106 HydrophobicContact CB-CG2 4.44Å; L101-I106 HydrophobicContact CD2-CB 4.11Å; L101-I106 HydrophobicContact CD2-CD1 3.9Å; L101-I106 HydrophobicContact CD2-CG2 3.98Å; L101-I106 WeakPolarHBondContact O-CB 3.31Å; L101-I106 PolarHBondContact O-N 3.29Å; L101-T108 HydrophobicContact CB-CG2 3.78Å; L101-T108 HydrophobicContact CD1-CG2 3.59Å; L101-T108 HydrophobicContact CG-CG2 4.35Å; L101-F137 HydrophobicContact CD1-CB 3.79Å; L101-F137 HydrophobicContact CD1-CD1 4.35Å; L101-F137 HydrophobicContact CD1-CD2 4.27Å; L101-F137 HydrophobicContact CD1-CG 3.91Å; L101-F137 HydrophobicContact CD2-CD2 4.15Å; L101-F137 HydrophobicContact CD2-CE2 4.46Å
102T97.5Very high97.4Very high19 Ų1918.1 Ų18.112%0.1179%0.091CC..Hα-helixtrans-60.9-39.9173.8-53.80000111.3M6 N9 R10 V98 L99 K100 L104 D105M6-T102 HydrophobicContact SD-CG2 4.05Å; N9-T102 HydrophobicContact CB-CG2 4.07Å; R10-T102 HydrophobicContact CB-CG2 4.21Å; V98-T102 PolarHBondContact O-N 2.77Å; V98-T102 PolarHBondContact O-OG1 2.86Å; L99-T102 WeakPolarHBondContact O-CB 3.4Å; L99-T102 PolarHBondContact O-N 3.44Å; K100-T102 VanDerWaalsContact C-N 3.31Å; T102-L104 PolarHBondContact O-N 3.38Å; T102-D105 PolarHBondContact O-N 2.72Å; T102-D105 VanDerWaalsContact O-N 3.11Å
103E97.5Very high97.1Very high72 Ų7217.4 Ų17.434%0.3369%0.089SC..Hα-helixtrans-62.5-28174.7-168.5-172.1-118.700112.6M1 M6 L99 K100 L101 D105M1-E103 WeakPolarHBondContact CA-OE1 3.38Å; M1-E103 HydrophobicContact SD-CB 4.22Å; M6-E103 HydrophobicContact CG-CB 4.31Å; M6-E103 WeakPolarHBondContact SD-CA 3.41Å; M6-E103 HydrophobicContact SD-CB 3.59Å; M6-E103 VanDerWaalsContact SD-CB 3.59Å; M6-E103 HydrophobicContact SD-CG 4.19Å; M6-E103 PolarHBondContact SD-N 3.05Å; L99-E103 PolarHBondContact O-N 2.95Å; K100-E103 WeakPolarHBondContact CD-OE2 3.49Å; K100-E103 IonicContact NZ-OE2 2.87Å; K100-E103 PolarHBondContact NZ-OE2 3.45Å; K100-E103 WeakPolarHBondContact O-CB 3.41Å; K100-E103 PolarHBondContact O-N 2.92Å; L101-E103 VanDerWaalsContact C-N 3.3Å; L101-E103 PolarHBondContact O-N 3.26Å; E103-D105 VanDerWaalsContact C-N 3.31Å
104L97.1Very high96.5Very high36 Ų3623.1 Ų23.119%0.18812%0.124CC..THydrogen-bonded Turntrans-9112.3177.9-61.9175.4000113.2A25 K100 L101 T102 I106A25-L104 HydrophobicContact CB-CD1 4.36Å; K100-L104 WeakPolarHBondContact O-CG 3.49Å; K100-L104 PolarHBondContact O-N 3.38Å; L101-L104 CarbonylContact O-C 3.52Å; L101-L104 WeakPolarHBondContact O-CA 3.44Å; L101-L104 PolarHBondContact O-N 3.23Å; T102-L104 PolarHBondContact O-N 3.38Å; L104-I106 HydrophobicContact CB-CD1 3.94Å; L104-I106 HydrophobicContact CB-CG1 4.34Å; L104-I106 PolarHBondContact O-N 2.74Å
105D95.9Very high96.2Very high138 Ų13825.3 Ų25.374%0.73814%0.135SC*.THydrogen-bonded Turntrans56.134.7-175.2-65.3-52.4000113.4L101 T102 E103 Y139L101-D105 PolarHBondContact O-N 2.72Å; T102-D105 PolarHBondContact O-N 2.72Å; T102-D105 VanDerWaalsContact O-N 3.11Å; E103-D105 VanDerWaalsContact C-N 3.31Å; D105-Y139 WeakPolarHBondContact O-CE1 3.41Å
106I97.4Very high96Very high2 Ų226.1 Ų26.11%0.0114%0.141CC..  trans-109.8121.9176.7-64.1162.7000108.5V21 A25 L101 L104 F137 Y139V21-I106 HydrophobicContact CG1-CD1 3.58Å; V21-I106 HydrophobicContact CG1-CG1 4.45Å; V21-I106 HydrophobicContact CG2-CG2 4.4Å; A25-I106 HydrophobicContact CB-CD1 3.93Å; L101-I106 CarbonylContact C-O 3.6Å; L101-I106 HydrophobicContact CB-CB 4.26Å; L101-I106 HydrophobicContact CB-CG2 4.44Å; L101-I106 HydrophobicContact CD2-CB 4.11Å; L101-I106 HydrophobicContact CD2-CD1 3.9Å; L101-I106 HydrophobicContact CD2-CG2 3.98Å; L101-I106 WeakPolarHBondContact O-CB 3.31Å; L101-I106 PolarHBondContact O-N 3.29Å; L104-I106 HydrophobicContact CB-CD1 3.94Å; L104-I106 HydrophobicContact CB-CG1 4.34Å; L104-I106 PolarHBondContact O-N 2.74Å; I106-F137 HydrophobicContact CG2-CB 4.15Å; I106-F137 HydrophobicContact CG2-CD2 3.79Å; I106-F137 HydrophobicContact CG2-CG 4.47Å; I106-Y139 HydrophobicContact CG1-CE1 4.22Å
107D97Very high95.9Very high29 Ų2930.9 Ų30.916%0.15517%0.167CC..EExtended strand (participates in β ladder)trans-77.1154.2179.8-60.5-80.5000110.7R11 V13 F16 F137 G138 G140R11-D107 IonicContact CZ-OD1 3.98Å; R11-D107 IonicContact NE-OD1 3.31Å; R11-D107 PolarHBondContact NE-OD1 3.18Å; R11-D107 IonicContact NH2-OD1 3.39Å; R11-D107 PolarHBondContact NH2-OD1 3.23Å; V13-D107 HydrophobicContact CB-CB 3.78Å; V13-D107 HydrophobicContact CG1-CB 4.14Å; V13-D107 HydrophobicContact CG2-CB 3.54Å; F16-D107 HydrophobicContact CE1-CB 4.11Å; F16-D107 WeakPolarHBondContact CE1-O 3.47Å; D107-F137 VanDerWaalsContact O-CA 3.31Å; D107-F137 WeakPolarHBondContact O-CA 3.44Å; D107-G138 WeakPolarHBondContact CA-O 3.45Å; D107-G138 WeakPolarHBondContact CB-O 3.27Å; D107-G138 PolarHBondContact N-O 3.33Å; D107-G138 PolarHBondContact O-N 2.8Å; D107-G138 VanDerWaalsContact O-O 3.11Å; D107-G140 VanDerWaalsContact OD2-CA 3.31Å; D107-G140 WeakPolarHBondContact OD2-CA 3.28Å; D107-G140 PolarHBondContact OD2-N 2.8Å
108T97.8Very high95.7Very high2 Ų236.5 Ų36.51%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-137.6162.9-17663.30000112.8S12 V13 V98 L101 V135 A136 F137S12-T108 WeakPolarHBondContact CA-O 3.41Å; V13-T108 PolarHBondContact N-O 2.77Å; V98-T108 HydrophobicContact CG1-CG2 4.43Å; V98-T108 WeakPolarHBondContact CG1-OG1 3.44Å; V98-T108 HydrophobicContact CG2-CG2 4.46Å; L101-T108 HydrophobicContact CB-CG2 3.78Å; L101-T108 HydrophobicContact CD1-CG2 3.59Å; L101-T108 HydrophobicContact CG-CG2 4.35Å; T108-V135 HydrophobicContact CG2-CG1 4.21Å; T108-A136 CarbonylContact C-O 3.54Å; T108-A136 VanDerWaalsContact CA-O 3.24Å; T108-A136 WeakPolarHBondContact CA-O 3.39Å; T108-F137 HydrophobicContact CG2-CB 4.02Å
109C95.8Very high95.5Very high0 Ų036.5 Ų36.50%019%0.191CC..EExtended strand (participates in β ladder)trans-149.4130.5165.6-173.60000110.2V13 H14 M111 V135 A136V13-C109 VanDerWaalsContact O-CB 3.25Å; V13-C109 WeakPolarHBondContact O-CB 3.18Å; H14-C109 PolarHBondContact CD2-SG 3.46Å; C109-M111 HydrophobicContact CB-CE 3.72Å; C109-M111 WeakPolarHBondContact O-CE 3.41Å; C109-M111 WeakPolarHBondContact SG-CE 3.44Å; C109-V135 CarbonylContact O-C 3.5Å; C109-V135 WeakPolarHBondContact O-CA 3.3Å; C109-A136 PolarHBondContact N-O 2.96Å; C109-A136 PolarHBondContact O-N 3.44Å
110W96.9Very high95.4Very high21 Ų2137.3 Ų37.38%0.0820%0.195CC..EExtended strand (participates in β ladder)trans-63.8136.8171.6-83.289.7000111Y65 M94 E95 A133 V135 L243 I247Y65-W110 WeakPolarHBondContact CE2-O 3.26Å; Y65-W110 VanDerWaalsContact CZ-O 3.27Å; Y65-W110 PolarHBondContact OH-O 2.87Å; M94-W110 HydrophobicContact CB-CH2 3.57Å; M94-W110 HydrophobicContact CB-CZ2 3.96Å; M94-W110 HydrophobicContact CB-CZ3 4.39Å; M94-W110 HydrophobicContact CG-CH2 3.65Å; M94-W110 HydrophobicContact CG-CZ2 3.88Å; M94-W110 HydrophobicContact CG-CZ3 4.16Å; E95-W110 HydrophobicContact CB-CZ2 4.3Å; E95-W110 PolarHBondContact OE2-NE1 3.32Å; W110-A133 HydrophobicContact CH2-CB 4.23Å; W110-A133 HydrophobicContact CZ3-CB 3.75Å; W110-V135 HydrophobicContact CD2-CG2 3.92Å; W110-V135 HydrophobicContact CE3-CG2 4.13Å; W110-V135 HydrophobicContact CG-CG2 4.27Å; W110-L243 HydrophobicContact CH2-CD2 4.37Å; W110-L243 HydrophobicContact CZ3-CD1 4.22Å; W110-L243 HydrophobicContact CZ3-CD2 4.07Å; W110-I247 HydrophobicContact CD2-CD1 4.29Å; W110-I247 HydrophobicContact CH2-CD1 4Å; W110-I247 HydrophobicContact CH2-CG1 4.18Å; W110-I247 HydrophobicContact CZ2-CD1 3.59Å; W110-I247 HydrophobicContact CZ2-CG1 3.73Å
111M93.8Very high95.3Very high3 Ų344.7 Ų44.72%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-113.5141.4175.7-59.7-6795.700110Y65 L69 I70 C109 I134 A136Y65-M111 HydrophobicContact CE2-CE 4.09Å; L69-M111 HydrophobicContact CD1-CG 4.22Å; L69-M111 HydrophobicContact CD1-SD 3.9Å; L69-M111 HydrophobicContact CG-SD 4.48Å; I70-M111 HydrophobicContact CB-CE 3.6Å; I70-M111 HydrophobicContact CB-SD 3.72Å; I70-M111 HydrophobicContact CG1-CE 3.33Å; I70-M111 HydrophobicContact CG1-SD 3.86Å; C109-M111 HydrophobicContact CB-CE 3.72Å; C109-M111 WeakPolarHBondContact O-CE 3.41Å; C109-M111 WeakPolarHBondContact SG-CE 3.44Å; M111-I134 HydrophobicContact CB-CB 3.91Å; M111-I134 HydrophobicContact CB-CG2 3.72Å; M111-I134 HydrophobicContact CG-CG2 3.91Å; M111-I134 PolarHBondContact N-O 3.32Å; M111-A136 HydrophobicContact CE-CB 4.06Å; M111-A136 HydrophobicContact CG-CB 4.16Å; M111-A136 HydrophobicContact SD-CB 4.18Å
112T92.4Very high95Very high12 Ų1246.4 Ų46.47%0.07424%0.241CC..  trans-91.3155177.2560000110.6A63 G64 Y65 Y211A63-T112 CarbonylContact C-O 3.6Å; A63-T112 VanDerWaalsContact CA-O 3.3Å; A63-T112 WeakPolarHBondContact CA-O 3.26Å; G64-T112 PolarHBondContact N-O 3.11Å; G64-T112 PolarHBondContact O-OG1 3.27Å; Y65-T112 WeakPolarHBondContact CA-OG1 3.24Å; Y65-T112 HydrophobicContact CD1-CG2 3.56Å; Y65-T112 HydrophobicContact CE1-CG2 3.39Å; Y65-T112 PolarHBondContact N-OG1 3.19Å; T112-Y211 HydrophobicContact CG2-CD2 3.64Å; T112-Y211 HydrophobicContact CG2-CE2 3.58Å
113F93.1Very high95Very high9 Ų946.9 Ų46.94%0.03924%0.242CC..BIsolated β-bridgetrans-154.8159.5170.466.3-80.3000109.2A63 I119 V131 I134 L239A63-F113 HydrophobicContact CB-CB 4.16Å; F113-I119 HydrophobicContact CB-CD1 3.42Å; F113-I119 VanDerWaalsContact CB-CD1 3.42Å; F113-I119 HydrophobicContact CD1-CD1 4.38Å; F113-I119 HydrophobicContact CD2-CD1 3.46Å; F113-I119 VanDerWaalsContact CD2-CD1 3.46Å; F113-I119 HydrophobicContact CE2-CD1 4.34Å; F113-I119 HydrophobicContact CG-CD1 3.49Å; F113-I119 VanDerWaalsContact CG-CD1 3.49Å; F113-V131 HydrophobicContact CD1-CG1 4.47Å; F113-V131 HydrophobicContact CD2-CG1 4.36Å; F113-V131 HydrophobicContact CE1-CG1 4.01Å; F113-V131 HydrophobicContact CE2-CB 4.04Å; F113-V131 HydrophobicContact CE2-CG1 3.86Å; F113-V131 WeakPolarHBondContact CE2-O 3.46Å; F113-V131 HydrophobicContact CZ-CB 4.21Å; F113-V131 HydrophobicContact CZ-CG1 3.69Å; F113-V131 WeakPolarHBondContact CZ-O 3.45Å; F113-I134 HydrophobicContact CB-CD1 4.3Å; F113-I134 HydrophobicContact CD1-CD1 3.97Å; F113-I134 HydrophobicContact CD1-CG1 4.19Å; F113-I134 HydrophobicContact CG-CD1 4.24Å; F113-L239 HydrophobicContact CD1-CD2 4.35Å; F113-L239 HydrophobicContact CD2-CD2 4.22Å; F113-L239 HydrophobicContact CE1-CD2 3.86Å; F113-L239 HydrophobicContact CE2-CD2 3.73Å; F113-L239 HydrophobicContact CZ-CD1 4.49Å; F113-L239 HydrophobicContact CZ-CD2 3.52Å
114T85.9Confident94.9Very high120 Ų12048.3 Ų48.374%0.73626%0.261SS*.SBendtrans-120.3-9.6-176.3540000113.7
115D91.9Very high94.8Very high45 Ų4548.8 Ų48.824%0.24126%0.263CS..  trans-150.3100.6-169.3-170.3-30.9000110.7D117 K118 I119D115-D117 VanDerWaalsContact C-N 3.33Å; D115-D117 PolarHBondContact O-N 2.85Å; D115-D117 PolarHBondContact OD1-N 3.06Å; D115-D117 VanDerWaalsContact OD1-N 3.16Å; D115-K118 HydrophobicContact CB-CB 4Å; D115-K118 HydrophobicContact CB-CD 3.87Å; D115-K118 HydrophobicContact CB-CG 4.08Å; D115-K118 VanDerWaalsContact CG-CG 3.47Å; D115-K118 PolarHBondContact O-N 2.77Å; D115-K118 PolarHBondContact OD1-N 3.36Å; D115-K118 WeakPolarHBondContact OD2-CD 3.35Å; D115-K118 WeakPolarHBondContact OD2-CE 2.98Å; D115-K118 VanDerWaalsContact OD2-CG 3.31Å; D115-K118 WeakPolarHBondContact OD2-CG 3.45Å; D115-K118 IonicContact OD2-NZ 2.63Å; D115-K118 PolarHBondContact OD2-NZ 3.44Å; D115-I119 PolarHBondContact O-N 2.98Å
116S95.5Very high94.8Very high17 Ų1749.2 Ų49.212%0.11927%0.271CS..Hα-helixtrans-60.1-41178.5168.50000112K118 I119 K120 E130 V131S116-K118 PolarHBondContact O-N 3.04Å; S116-I119 PolarHBondContact O-N 3.46Å; S116-K120 WeakPolarHBondContact O-CG 3.2Å; S116-K120 PolarHBondContact O-N 3.14Å; S116-E130 WeakPolarHBondContact CB-OE2 3.06Å; S116-E130 WeakPolarHBondContact OG-CA 3.33Å; S116-E130 PolarHBondContact OG-OE2 2.92Å; S116-V131 PolarHBondContact OG-N 3.3Å
117D95.5Very high94.7Very high101 Ų10151.1 Ų51.154%0.5428%0.282SS..Hα-helixtrans-65.6-37.9-179.4-75.6-30.9000112D115 I119 K120 K121D115-D117 VanDerWaalsContact C-N 3.33Å; D115-D117 PolarHBondContact O-N 2.85Å; D115-D117 PolarHBondContact OD1-N 3.06Å; D115-D117 VanDerWaalsContact OD1-N 3.16Å; D117-I119 VanDerWaalsContact C-N 3.35Å; D117-K120 PolarHBondContact O-N 2.83Å; D117-K120 WeakPolarHBondContact OD1-CE 3.28Å; D117-K120 IonicContact OD1-NZ 3.89Å; D117-K120 PolarHBondContact OD1-NZ 2.65Å; D117-K121 VanDerWaalsContact O-CB 3.23Å; D117-K121 WeakPolarHBondContact O-CB 3.29Å; D117-K121 PolarHBondContact O-N 2.86Å
118K94.1Very high94.7Very high117 Ų11755 Ų5551%0.50931%0.309SS..Hα-helixtrans-61.4-42.6173-79.5179.3-167.9137.50112.2D115 S116 K121 A122D115-K118 HydrophobicContact CB-CB 4Å; D115-K118 HydrophobicContact CB-CD 3.87Å; D115-K118 HydrophobicContact CB-CG 4.08Å; D115-K118 VanDerWaalsContact CG-CG 3.47Å; D115-K118 PolarHBondContact O-N 2.77Å; D115-K118 PolarHBondContact OD1-N 3.36Å; D115-K118 WeakPolarHBondContact OD2-CD 3.35Å; D115-K118 WeakPolarHBondContact OD2-CE 2.98Å; D115-K118 VanDerWaalsContact OD2-CG 3.31Å; D115-K118 WeakPolarHBondContact OD2-CG 3.45Å; D115-K118 IonicContact OD2-NZ 2.63Å; D115-K118 PolarHBondContact OD2-NZ 3.44Å; S116-K118 PolarHBondContact O-N 3.04Å; K118-K121 PolarHBondContact O-N 3.41Å; K118-A122 VanDerWaalsContact O-CB 3.26Å; K118-A122 WeakPolarHBondContact O-CB 3.28Å; K118-A122 PolarHBondContact O-N 2.88Å
119I95.2Very high94.8Very high0 Ų056 Ų560%032%0.315CS..Hα-helixtrans-67.1-48.3178-67.2160.2000110.6L59 S62 L77 F113 D115 S116 D117 K121 A122 L123 V131 I134L59-I119 HydrophobicContact CD2-CG2 4.13Å; S62-I119 WeakPolarHBondContact OG-CG1 3.1Å; L77-I119 HydrophobicContact CD1-CG2 4.29Å; F113-I119 HydrophobicContact CB-CD1 3.42Å; F113-I119 VanDerWaalsContact CB-CD1 3.42Å; F113-I119 HydrophobicContact CD1-CD1 4.38Å; F113-I119 HydrophobicContact CD2-CD1 3.46Å; F113-I119 VanDerWaalsContact CD2-CD1 3.46Å; F113-I119 HydrophobicContact CE2-CD1 4.34Å; F113-I119 HydrophobicContact CG-CD1 3.49Å; F113-I119 VanDerWaalsContact CG-CD1 3.49Å; D115-I119 PolarHBondContact O-N 2.98Å; S116-I119 PolarHBondContact O-N 3.46Å; D117-I119 VanDerWaalsContact C-N 3.35Å; I119-K121 VanDerWaalsContact C-N 3.27Å; I119-K121 PolarHBondContact O-N 3.07Å; I119-A122 PolarHBondContact O-N 3.21Å; I119-A122 VanDerWaalsContact O-N 3.15Å; I119-L123 HydrophobicContact CG2-CD1 3.71Å; I119-L123 HydrophobicContact CG2-CG 4.35Å; I119-L123 WeakPolarHBondContact O-CB 3.04Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.24Å; I119-V131 HydrophobicContact CB-CG2 3.99Å; I119-V131 HydrophobicContact CD1-CG1 4.14Å; I119-V131 HydrophobicContact CG2-CG2 3.77Å; I119-I134 HydrophobicContact CD1-CD1 3.71Å
120K96.7Very high94.9Very high18 Ų1859 Ų598%0.07833%0.329CS..Hα-helixtrans-55.2-45.5176.6-72.2-179.4-57.7-173.30110.9M79 S116 D117 L123 S124 L125 T127 L129 E130 V131M79-K120 HydrophobicContact CE-CD 4.09Å; M79-K120 HydrophobicContact CE-CG 4.05Å; S116-K120 WeakPolarHBondContact O-CG 3.2Å; S116-K120 PolarHBondContact O-N 3.14Å; D117-K120 PolarHBondContact O-N 2.83Å; D117-K120 WeakPolarHBondContact OD1-CE 3.28Å; D117-K120 IonicContact OD1-NZ 3.89Å; D117-K120 PolarHBondContact OD1-NZ 2.65Å; K120-L123 CarbonylContact O-C 3.55Å; K120-L123 PolarHBondContact O-N 3.01Å; K120-S124 PolarHBondContact O-N 3.22Å; K120-L125 HydrophobicContact CB-CB 4.26Å; K120-L125 HydrophobicContact CG-CB 4.4Å; K120-L125 PolarHBondContact O-N 3.41Å; K120-T127 HydrophobicContact CD-CG2 4.44Å; K120-L129 WeakPolarHBondContact CD-O 3.45Å; K120-E130 IonicContact NZ-OE1 2.85Å; K120-E130 PolarHBondContact NZ-OE1 3.06Å; K120-E130 IonicContact NZ-OE2 3.37Å; K120-E130 PolarHBondContact NZ-OE2 3.17Å; K120-V131 HydrophobicContact CG-CG2 4.14Å
121K95.7Very high94.9Very high177 Ų17758.4 Ų58.477%0.7733%0.327SS*.Hα-helixtrans-63.5-46.5176.6-174.8179.7179-179.40112.3D117 K118 I119 L123 S124D117-K121 VanDerWaalsContact O-CB 3.23Å; D117-K121 WeakPolarHBondContact O-CB 3.29Å; D117-K121 PolarHBondContact O-N 2.86Å; K118-K121 PolarHBondContact O-N 3.41Å; I119-K121 VanDerWaalsContact C-N 3.27Å; I119-K121 PolarHBondContact O-N 3.07Å; K121-L123 VanDerWaalsContact C-N 3.26Å; K121-L123 PolarHBondContact O-N 3.07Å; K121-S124 PolarHBondContact O-N 2.92Å
122A93.3Very high95.1Very high36 Ų3658.6 Ų58.630%0.29833%0.329SS..Hα-helixtrans-62.9-34.6-179.200000112.1A58 K118 I119A58-A122 HydrophobicContact CB-CB 4Å; K118-A122 VanDerWaalsContact O-CB 3.26Å; K118-A122 WeakPolarHBondContact O-CB 3.28Å; K118-A122 PolarHBondContact O-N 2.88Å; I119-A122 PolarHBondContact O-N 3.21Å; I119-A122 VanDerWaalsContact O-N 3.15Å
123L95.8Very high95.4Very high29 Ų2958 Ų5815%0.15233%0.326CS..THydrogen-bonded Turntrans-92.74.7178.3-63.1177.1000113.8L51 A55 A58 L59 L77 I119 K120 K121 L125L51-L123 HydrophobicContact CD1-CD1 3.68Å; L51-L123 HydrophobicContact CD1-CD2 4.31Å; L51-L123 HydrophobicContact CD2-CD1 4.39Å; A55-L123 HydrophobicContact CB-CD2 3.9Å; A58-L123 HydrophobicContact CB-CD2 3.83Å; L59-L123 HydrophobicContact CD2-CD1 4.16Å; L77-L123 HydrophobicContact CD2-CD1 3.76Å; I119-L123 HydrophobicContact CG2-CD1 3.71Å; I119-L123 HydrophobicContact CG2-CG 4.35Å; I119-L123 WeakPolarHBondContact O-CB 3.04Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.24Å; K120-L123 CarbonylContact O-C 3.55Å; K120-L123 PolarHBondContact O-N 3.01Å; K121-L123 VanDerWaalsContact C-N 3.26Å; K121-L123 PolarHBondContact O-N 3.07Å; L123-L125 HydrophobicContact CB-CD1 4.01Å; L123-L125 HydrophobicContact CB-CD2 4.49Å; L123-L125 HydrophobicContact CB-CG 3.78Å; L123-L125 HydrophobicContact CD1-CD1 4.12Å; L123-L125 PolarHBondContact O-N 2.64Å
124S95.5Very high95.6Very high103 Ų10357.6 Ų57.672%0.7232%0.324SS*.THydrogen-bonded Turntrans54.333.4-176.6-55.90000114.2K120 K121K120-S124 PolarHBondContact O-N 3.22Å; K121-S124 PolarHBondContact O-N 2.92Å
125L96Very high96.2Very high46 Ų4651.9 Ų51.924%0.24129%0.289CS..  trans-81.5126.1178.4-59.3176.5000110.4I49 L77 M79 K120 L123 T127I49-L125 HydrophobicContact CD1-CD1 4.13Å; I49-L125 HydrophobicContact CD1-CD2 4.16Å; L77-L125 HydrophobicContact CD2-CD1 3.64Å; M79-L125 HydrophobicContact SD-CD1 4.43Å; K120-L125 HydrophobicContact CB-CB 4.26Å; K120-L125 HydrophobicContact CG-CB 4.4Å; K120-L125 PolarHBondContact O-N 3.41Å; L123-L125 HydrophobicContact CB-CD1 4.01Å; L123-L125 HydrophobicContact CB-CD2 4.49Å; L123-L125 HydrophobicContact CB-CG 3.78Å; L123-L125 HydrophobicContact CD1-CD1 4.12Å; L123-L125 PolarHBondContact O-N 2.64Å; L125-T127 HydrophobicContact CB-CG2 4.46Å
126T95.5Very high96.5Very high147 Ų14749.8 Ų49.890%0.90228%0.277SS*.  trans-114.590.7175.4-550000108.7
127T96.6Very high96.6Very high41 Ų4149 Ų4925%0.25227%0.272SS..  trans-149.7147.4-175.6178.10000110.2M79 K120 L125 L129M79-T127 HydrophobicContact CE-CG2 3.81Å; K120-T127 HydrophobicContact CD-CG2 4.44Å; L125-T127 HydrophobicContact CB-CG2 4.46Å; T127-L129 HydrophobicContact CG2-CB 4.3Å; T127-L129 PolarHBondContact O-N 2.91Å; T127-L129 WeakPolarHBondContact OG1-CG 3.48Å; T127-L129 PolarHBondContact OG1-N 3.36Å
128P96.6Very high96.7Very high111 Ų11144.2 Ų44.272%0.72125%0.246SC*.SBendtrans-74.9-6.217133.1-37.5000113.3
129L98.3Very high96.8Very high24 Ų2440.3 Ų40.313%0.12623%0.229CC..PPolyproline II helixtrans-77154176-54.1-179.6000110.9E47 M79 A81 K120 T127E47-L129 HydrophobicContact CB-CD1 3.76Å; M79-L129 HydrophobicContact CB-CB 3.82Å; M79-L129 HydrophobicContact CB-CD1 3.81Å; M79-L129 HydrophobicContact CB-CG 4.48Å; M79-L129 HydrophobicContact CE-CB 4.28Å; A81-L129 HydrophobicContact CB-CD2 4.01Å; K120-L129 WeakPolarHBondContact CD-O 3.45Å; T127-L129 HydrophobicContact CG2-CB 4.3Å; T127-L129 PolarHBondContact O-N 2.91Å; T127-L129 WeakPolarHBondContact OG1-CG 3.48Å; T127-L129 PolarHBondContact OG1-N 3.36Å
130E98.1Very high96.7Very high63 Ų6340.5 Ų40.529%0.29423%0.231SC..EExtended strand (participates in β ladder)trans-103.8146.9175.3-62.9-56.6139.300110.8M79 S80 P82 S116 K120 A132M79-E130 CarbonylContact C-O 3.54Å; M79-E130 VanDerWaalsContact CA-O 3.27Å; M79-E130 WeakPolarHBondContact CA-O 3.18Å; S80-E130 PolarHBondContact N-O 2.82Å; S80-E130 PolarHBondContact O-N 3.36Å; P82-E130 HydrophobicContact CG-CG 4.24Å; S116-E130 WeakPolarHBondContact CB-OE2 3.06Å; S116-E130 WeakPolarHBondContact OG-CA 3.33Å; S116-E130 PolarHBondContact OG-OE2 2.92Å; K120-E130 IonicContact NZ-OE1 2.85Å; K120-E130 PolarHBondContact NZ-OE1 3.06Å; K120-E130 IonicContact NZ-OE2 3.37Å; K120-E130 PolarHBondContact NZ-OE2 3.17Å; E130-A132 PolarHBondContact O-N 3.37Å
131V98Very high96.3Very high8 Ų845.3 Ų45.35%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-64.4123.9169.2-179.20000108.4L77 M79 F113 S116 I119 K120 I134L77-V131 HydrophobicContact CD1-CB 4.31Å; L77-V131 HydrophobicContact CD1-CG1 3.38Å; L77-V131 HydrophobicContact CD1-CG2 4.03Å; L77-V131 HydrophobicContact CG-CG1 4.48Å; M79-V131 HydrophobicContact CE-CG2 3.91Å; M79-V131 HydrophobicContact SD-CB 4.39Å; M79-V131 HydrophobicContact SD-CG2 3.77Å; F113-V131 HydrophobicContact CD1-CG1 4.47Å; F113-V131 HydrophobicContact CD2-CG1 4.36Å; F113-V131 HydrophobicContact CE1-CG1 4.01Å; F113-V131 HydrophobicContact CE2-CB 4.04Å; F113-V131 HydrophobicContact CE2-CG1 3.86Å; F113-V131 WeakPolarHBondContact CE2-O 3.46Å; F113-V131 HydrophobicContact CZ-CB 4.21Å; F113-V131 HydrophobicContact CZ-CG1 3.69Å; F113-V131 WeakPolarHBondContact CZ-O 3.45Å; S116-V131 PolarHBondContact OG-N 3.3Å; I119-V131 HydrophobicContact CB-CG2 3.99Å; I119-V131 HydrophobicContact CD1-CG1 4.14Å; I119-V131 HydrophobicContact CG2-CG2 3.77Å; K120-V131 HydrophobicContact CG-CG2 4.14Å; V131-I134 HydrophobicContact CG1-CD1 4.27Å; V131-I134 HydrophobicContact CG1-CG1 4.1Å
132A98.3Very high95.3Very high7 Ų744.8 Ų44.86%0.05825%0.251CS..EExtended strand (participates in β ladder)trans-111.7-34.4-176.900000113L78 A90 E130L78-A132 WeakPolarHBondContact O-CB 3.43Å; L78-A132 PolarHBondContact O-N 2.81Å; A90-A132 HydrophobicContact CB-CB 3.52Å; E130-A132 PolarHBondContact O-N 3.37Å
133A98.3Very high94Very high0 Ų045.9 Ų45.90%025%0.254CS..EExtended strand (participates in β ladder)trans-154.4148.9177.200000111.9L78 A90 M94 W110 L243L78-A133 HydrophobicContact CB-CB 4.31Å; L78-A133 PolarHBondContact N-O 2.97Å; L78-A133 PolarHBondContact O-N 2.92Å; A90-A133 HydrophobicContact CB-CB 4.34Å; M94-A133 HydrophobicContact CB-CB 4.12Å; M94-A133 HydrophobicContact CE-CB 3.86Å; M94-A133 HydrophobicContact CG-CB 4.12Å; W110-A133 HydrophobicContact CH2-CB 4.23Å; W110-A133 HydrophobicContact CZ3-CB 3.75Å; A133-L243 HydrophobicContact CB-CD2 4.11Å
134I97.8Very high92.1Very high0 Ų048.7 Ų48.70%028%0.282CS..EExtended strand (participates in β ladder)trans-128.5133.6174.2-58171.8000109.6L59 A63 Y75 L76 L77 M111 F113 I119 V131L59-I134 HydrophobicContact CD2-CD1 4.32Å; A63-I134 HydrophobicContact CB-CD1 3.92Å; Y75-I134 HydrophobicContact CD1-CG2 4.49Å; L76-I134 CarbonylContact O-C 3.48Å; L76-I134 VanDerWaalsContact O-CA 3.27Å; L76-I134 WeakPolarHBondContact O-CA 3.39Å; L77-I134 HydrophobicContact CD1-CD1 4.07Å; L77-I134 HydrophobicContact CD1-CG1 3.59Å; M111-I134 HydrophobicContact CB-CB 3.91Å; M111-I134 HydrophobicContact CB-CG2 3.72Å; M111-I134 HydrophobicContact CG-CG2 3.91Å; M111-I134 PolarHBondContact N-O 3.32Å; F113-I134 HydrophobicContact CB-CD1 4.3Å; F113-I134 HydrophobicContact CD1-CD1 3.97Å; F113-I134 HydrophobicContact CD1-CG1 4.19Å; F113-I134 HydrophobicContact CG-CD1 4.24Å; I119-I134 HydrophobicContact CD1-CD1 3.71Å; V131-I134 HydrophobicContact CG1-CD1 4.27Å; V131-I134 HydrophobicContact CG1-CG1 4.1Å
135V98.2Very high90.2Very high0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-132.2123.8173.7168.60000109.6Y75 L76 M94 V98 T108 C109 W110Y75-V135 CarbonylContact C-O 3.29Å; Y75-V135 VanDerWaalsContact CA-O 3.29Å; Y75-V135 WeakPolarHBondContact CA-O 3.48Å; L76-V135 HydrophobicContact CB-CB 4.3Å; L76-V135 PolarHBondContact N-O 3.41Å; L76-V135 PolarHBondContact O-N 3.16Å; M94-V135 HydrophobicContact CE-CG2 4.48Å; M94-V135 HydrophobicContact CG-CG2 3.52Å; M94-V135 HydrophobicContact SD-CB 4.29Å; M94-V135 HydrophobicContact SD-CG2 3.91Å; V98-V135 HydrophobicContact CG2-CB 4.48Å; V98-V135 HydrophobicContact CG2-CG1 3.9Å; V98-V135 HydrophobicContact CG2-CG2 3.88Å; T108-V135 HydrophobicContact CG2-CG1 4.21Å; C109-V135 CarbonylContact O-C 3.5Å; C109-V135 WeakPolarHBondContact O-CA 3.3Å; W110-V135 HydrophobicContact CD2-CG2 3.92Å; W110-V135 HydrophobicContact CE3-CG2 4.13Å; W110-V135 HydrophobicContact CG-CG2 4.27Å
136A97.3Very high88Confident0 Ų054.8 Ų54.80%029%0.293CS..EExtended strand (participates in β ladder)trans-75.3139.3166.900000109.8F16 A72 Y75 T108 C109 M111F16-A136 HydrophobicContact CE2-CB 4.06Å; F16-A136 HydrophobicContact CZ-CB 4.39Å; A72-A136 HydrophobicContact CB-CB 3.75Å; Y75-A136 HydrophobicContact CD1-CB 3.83Å; Y75-A136 HydrophobicContact CE1-CB 3.74Å; T108-A136 CarbonylContact C-O 3.54Å; T108-A136 VanDerWaalsContact CA-O 3.24Å; T108-A136 WeakPolarHBondContact CA-O 3.39Å; C109-A136 PolarHBondContact N-O 2.96Å; C109-A136 PolarHBondContact O-N 3.44Å; M111-A136 HydrophobicContact CE-CB 4.06Å; M111-A136 HydrophobicContact CG-CB 4.16Å; M111-A136 HydrophobicContact SD-CB 4.18Å
137F98.1Very high85.9Confident1 Ų154 Ų540%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-146.4152.8176.474-87000113.7V21 V50 P73 H74 L76 L101 I106 D107 T108V21-F137 HydrophobicContact CB-CE2 4.27Å; V21-F137 HydrophobicContact CG1-CE2 4.2Å; V21-F137 HydrophobicContact CG2-CD2 4.05Å; V21-F137 HydrophobicContact CG2-CE2 3.99Å; V50-F137 HydrophobicContact CG1-CE1 4.09Å; V50-F137 HydrophobicContact CG1-CZ 3.79Å; P73-F137 WeakPolarHBondContact CD-O 3.48Å; P73-F137 WeakPolarHBondContact CG-O 3.13Å; H74-F137 HydrophobicContact CB-CD1 3.87Å; H74-F137 HydrophobicContact CB-CD2 4.16Å; H74-F137 HydrophobicContact CB-CE1 3.29Å; H74-F137 HydrophobicContact CB-CE2 3.64Å; H74-F137 HydrophobicContact CB-CG 4.29Å; H74-F137 HydrophobicContact CB-CZ 3.18Å; H74-F137 AromaticContact CD2-CE2 3.94Å; H74-F137 AromaticContact CG-CE2 3.98Å; H74-F137 AromaticContact CG-CZ 3.77Å; H74-F137 PolarHBondContact N-O 2.95Å; H74-F137 PolarHBondContact O-N 3.24Å; L76-F137 HydrophobicContact CD2-CD1 4.18Å; L76-F137 HydrophobicContact CD2-CE1 3.59Å; L76-F137 HydrophobicContact CD2-CZ 4.25Å; L76-F137 HydrophobicContact CG-CD1 3.82Å; L76-F137 HydrophobicContact CG-CE1 3.75Å; L101-F137 HydrophobicContact CD1-CB 3.79Å; L101-F137 HydrophobicContact CD1-CD1 4.35Å; L101-F137 HydrophobicContact CD1-CD2 4.27Å; L101-F137 HydrophobicContact CD1-CG 3.91Å; L101-F137 HydrophobicContact CD2-CD2 4.15Å; L101-F137 HydrophobicContact CD2-CE2 4.46Å; I106-F137 HydrophobicContact CG2-CB 4.15Å; I106-F137 HydrophobicContact CG2-CD2 3.79Å; I106-F137 HydrophobicContact CG2-CG 4.47Å; D107-F137 VanDerWaalsContact O-CA 3.31Å; D107-F137 WeakPolarHBondContact O-CA 3.44Å; T108-F137 HydrophobicContact CG2-CB 4.02Å
138G97.7Very high83.8Confident0 Ų058 Ų580%029%0.293CS..EExtended strand (participates in β ladder)trans165.5-174.7-178.200000111.9F16 D107 G140F16-G138 VanDerWaalsContact CD1-C 3.49Å; D107-G138 WeakPolarHBondContact CA-O 3.45Å; D107-G138 WeakPolarHBondContact CB-O 3.27Å; D107-G138 PolarHBondContact N-O 3.33Å; D107-G138 PolarHBondContact O-N 2.8Å; D107-G138 VanDerWaalsContact O-O 3.11Å; G138-G140 PolarHBondContact O-N 2.95Å
139Y96.4Very high81.6Confident35 Ų3557.8 Ų57.814%0.13729%0.285CS..PPolyproline II helixtrans-82.4118.7174.7-65.3-69.5000110.6F16 R17 K19 E20 V21 P22 D105 I106F16-Y139 CarbonylContact C-O 3.51Å; R17-Y139 WeakPolarHBondContact CB-O 3.49Å; R17-Y139 WeakPolarHBondContact CG-O 3.4Å; R17-Y139 PolarHBondContact N-O 2.86Å; K19-Y139 HydrophobicContact CB-CD2 3.93Å; K19-Y139 HydrophobicContact CD-CD2 3.45Å; K19-Y139 VanDerWaalsContact CD-CD2 3.45Å; K19-Y139 HydrophobicContact CD-CE2 3.68Å; K19-Y139 HydrophobicContact CD-CG 4.05Å; K19-Y139 VanDerWaalsContact CE-CE2 3.44Å; K19-Y139 HydrophobicContact CG-CD2 3.63Å; K19-Y139 HydrophobicContact CG-CE2 3.94Å; E20-Y139 WeakPolarHBondContact O-CE2 3.44Å; V21-Y139 HydrophobicContact CG2-CE2 4.5Å; P22-Y139 WeakPolarHBondContact CD-OH 3.25Å; D105-Y139 WeakPolarHBondContact O-CE1 3.41Å; I106-Y139 HydrophobicContact CG1-CE1 4.22Å
140G92.4Very high79.6Confident4 Ų459.8 Ų59.84%0.04130%0.296CS..BIsolated β-bridgetrans-63.1142.8-178.800000113.9A15 R17 D107 G138A15-G140 WeakPolarHBondContact O-CA 3.5Å; R17-G140 VanDerWaalsContact CZ-O 3.28Å; R17-G140 PolarHBondContact NE-O 3.19Å; R17-G140 PolarHBondContact NH2-O 3.44Å; D107-G140 VanDerWaalsContact OD2-CA 3.31Å; D107-G140 WeakPolarHBondContact OD2-CA 3.28Å; D107-G140 PolarHBondContact OD2-N 2.8Å; G138-G140 PolarHBondContact O-N 2.95Å
141E88.8Confident77.7Confident119 Ų11962.1 Ų62.156%0.55631%0.31SS*.PPolyproline II helixtrans-59143.5167.4-67.9-162.2152.200110.4A15 R17 T143A15-E141 HydrophobicContact CB-CB 4.16Å; A15-E141 HydrophobicContact CB-CG 4.08Å; A15-E141 PolarHBondContact O-N 2.85Å; R17-E141 HydrophobicContact CG-CG 4.15Å; E141-T143 PolarHBondContact O-N 3.35Å
142K75.5Confident75.9Confident166 Ų16668.3 Ų68.372%0.72234%0.342SS*.  trans-70.5108.8174.2-67.2-171-179.7177.50107.7R17 A144R17-K142 VanDerWaalsContact NH2-CG 3.34Å; K142-A144 PolarHBondContact O-N 3.43Å
143T64.6Low74.5Confident59 Ų5970.2 Ų70.236%0.36235%0.354SS..PPolyproline II helixtrans-59134.9167.99.90000109.3E141 K145 Y165E141-T143 PolarHBondContact O-N 3.35Å; T143-K145 PolarHBondContact O-N 2.88Å; T143-K145 VanDerWaalsContact O-N 3.14Å; T143-Y165 HydrophobicContact CG2-CD2 4.13Å; T143-Y165 HydrophobicContact CG2-CE2 4.24Å
144A55.3Low73Confident88 Ų8879.5 Ų79.573%0.72740%0.4SS*.PPolyproline II helixtrans-56121.2176.800000109.3K142 K146K142-A144 PolarHBondContact O-N 3.43Å; A144-K146 PolarHBondContact O-N 3.32Å
145K55.8Low71.5Confident139 Ų13984.8 Ų84.860%0.60444%0.437SS*.PPolyproline II helixtrans-64.7119.6176.2-67.5-177176.3-169.90108T143 A161 Q163T143-K145 PolarHBondContact O-N 2.88Å; T143-K145 VanDerWaalsContact O-N 3.14Å; K145-A161 HydrophobicContact CB-CB 4.23Å; K145-A161 HydrophobicContact CD-CB 3.91Å; K145-Q163 HydrophobicContact CG-CG 4.26Å
146K51Low69.5Low139 Ų13990.7 Ų90.760%0.60447%0.465SS*.EExtended strand (participates in β ladder)trans-86.7124.9166.7-84.1-176174.8178.90107.7A144 R148 E162A144-K146 PolarHBondContact O-N 3.32Å; K146-R148 PolarHBondContact O-N 2.91Å; K146-E162 PolarHBondContact N-O 3.44Å; K146-E162 PolarHBondContact O-N 2.84Å
147L51.2Low67.3Low131 Ų13195.1 Ų95.169%0.68649%0.488SS*.EExtended strand (participates in β ladder)trans-71.4117.5172.3-68.8164.7000107.5V159 A161L147-V159 HydrophobicContact CB-CG1 4.16Å; L147-V159 HydrophobicContact CD2-CG1 3.71Å; L147-V159 HydrophobicContact CG-CG1 4.43Å; L147-A161 HydrophobicContact CD2-CB 4.18Å
148R52.9Low65.3Low125 Ų12597.9 Ų97.947%0.47250%0.502SS..EExtended strand (participates in β ladder)trans-101.4118.4172.3-155.5174.1-178-160.10.7108K146 R160 E162K146-R148 PolarHBondContact O-N 2.91Å; R148-R160 PolarHBondContact N-O 2.9Å; R148-R160 PolarHBondContact O-N 3.12Å; R148-E162 WeakPolarHBondContact CD-OE2 3.43Å; R148-E162 IonicContact CZ-OE2 3.26Å; R148-E162 IonicContact NE-OE2 2.92Å; R148-E162 IonicContact NH1-OE1 2.81Å; R148-E162 PolarHBondContact NH1-OE1 2.83Å; R148-E162 IonicContact NH1-OE2 2.73Å; R148-E162 PolarHBondContact NH1-OE2 3.32Å
149L50.1Low63.2Low105 Ų105101.5 Ų101.555%0.5552%0.524SS..EExtended strand (participates in β ladder)trans-87.9110.2175.2-77.8153.6000108.2I157 V159L149-I157 HydrophobicContact CD2-CG2 3.33Å; L149-V159 HydrophobicContact CD2-CG1 4.47Å; L149-V159 HydrophobicContact CD2-CG2 3.65Å
150N56.4Low61.2Low66 Ų66106.7 Ų106.735%0.35354%0.544SS..EExtended strand (participates in β ladder)trans-93.9104.3166.9-89.1-13000108.6L152 I157 D158N150-L152 PolarHBondContact O-N 2.96Å; N150-I157 WeakPolarHBondContact O-CA 3.33Å; N150-D158 HydrophobicContact CB-CB 4.22Å; N150-D158 PolarHBondContact N-O 3.23Å; N150-D158 PolarHBondContact O-N 3.39Å
151I57.1Low59.1Low112 Ų112108.9 Ų108.957%0.57456%0.562SS**EExtended strand (participates in β ladder)trans-93.497.6176-54.4179000107.2S153 I157I151-S153 WeakPolarHBondContact CG2-O 3.5Å; I151-I157 HydrophobicContact CG1-CD1 4.42Å; I151-I157 HydrophobicContact CG1-CG1 4.1Å; I151-I157 HydrophobicContact CG1-CG2 4.2Å; I151-I157 HydrophobicContact CG2-CG1 4.24Å
152L60.8Low57.4Low139 Ų139105.7 Ų105.773%0.72855%0.547SS*.EExtended strand (participates in β ladder)trans-75.6-32.9174-68170.3000110.7N150 Q156N150-L152 PolarHBondContact O-N 2.96Å; L152-Q156 HydrophobicContact CB-CB 4.33Å; L152-Q156 PolarHBondContact N-O 3.46Å
153S69.2Low56.1Low46 Ų46102.2 Ų102.232%0.32253%0.533SS..EExtended strand (participates in β ladder)trans-160.2173.5170.571.30000110.6I151 S155 Q156I151-S153 WeakPolarHBondContact CG2-O 3.5Å; S153-S155 PolarHBondContact O-N 3.08Å; S153-S155 PolarHBondContact OG-N 3.35Å; S153-S155 PolarHBondContact OG-OG 3.42Å; S153-Q156 PolarHBondContact N-O 3.06Å; S153-Q156 CarbonylContact O-C 3.45Å; S153-Q156 PolarHBondContact O-N 3.43Å; S153-Q156 VanDerWaalsContact O-N 3.07Å; S153-Q156 PolarHBondContact OG-N 3.16Å
154M66Low55.4Low195 Ų195103.7 Ų103.796%0.96154%0.536SS*.THydrogen-bonded Turntrans-55.5-20.8176.7-72.7-97.7-77.300114.1
155S67.4Low55.3Low111 Ų111107.7 Ų107.778%0.77653%0.533SS*.THydrogen-bonded Turntrans-112.2-2178.554.30000114.4S153S153-S155 PolarHBondContact O-N 3.08Å; S153-S155 PolarHBondContact OG-N 3.35Å; S153-S155 PolarHBondContact OG-OG 3.42Å
156Q56.6Low55.5Low125 Ų125110.5 Ų110.558%0.58454%0.541SS*.EExtended strand (participates in β ladder)trans-130.595.9176.5-84.6-179-3300110.7L152 S153L152-Q156 HydrophobicContact CB-CB 4.33Å; L152-Q156 PolarHBondContact N-O 3.46Å; S153-Q156 PolarHBondContact N-O 3.06Å; S153-Q156 CarbonylContact O-C 3.45Å; S153-Q156 PolarHBondContact O-N 3.43Å; S153-Q156 VanDerWaalsContact O-N 3.07Å; S153-Q156 PolarHBondContact OG-N 3.16Å
157I50.7Low56.5Low93 Ų93106.8 Ų106.848%0.47754%0.537SS..EExtended strand (participates in β ladder)trans-110.2113173.4-56.4-177.9000107.5L149 N150 I151 V159L149-I157 HydrophobicContact CD2-CG2 3.33Å; N150-I157 WeakPolarHBondContact O-CA 3.33Å; I151-I157 HydrophobicContact CG1-CD1 4.42Å; I151-I157 HydrophobicContact CG1-CG1 4.1Å; I151-I157 HydrophobicContact CG1-CG2 4.2Å; I151-I157 HydrophobicContact CG2-CG1 4.24Å; I157-V159 HydrophobicContact CG2-CG2 4.32Å
158D54.9Low58.1Low59 Ų59104.9 Ų104.932%0.31653%0.532SS..EExtended strand (participates in β ladder)trans-94.3121.4171.7-175.917.2000108.8N150 R160N150-D158 HydrophobicContact CB-CB 4.22Å; N150-D158 PolarHBondContact N-O 3.23Å; N150-D158 PolarHBondContact O-N 3.39Å; D158-R160 IonicContact OD2-CZ 3.85Å; D158-R160 IonicContact OD2-NE 2.75Å; D158-R160 PolarHBondContact OD2-NE 3.44Å; D158-R160 IonicContact OD2-NH2 3.87Å; D158-R160 PolarHBondContact OD2-NH2 3.41Å
159V53.4Low60Low76 Ų76101.3 Ų101.346%0.46152%0.52SS..EExtended strand (participates in β ladder)trans-102.5102.2177.8-166.90000108.4L147 L149 I157L147-V159 HydrophobicContact CB-CG1 4.16Å; L147-V159 HydrophobicContact CD2-CG1 3.71Å; L147-V159 HydrophobicContact CG-CG1 4.43Å; L149-V159 HydrophobicContact CD2-CG1 4.47Å; L149-V159 HydrophobicContact CD2-CG2 3.65Å; I157-V159 HydrophobicContact CG2-CG2 4.32Å
160R54.2Low62Low143 Ų14399.3 Ų99.354%0.5451%0.507SS..EExtended strand (participates in β ladder)trans-99.2127.3174.9-65.2-170.2-174.7-171.90.1110R148 D158 E162R148-R160 PolarHBondContact N-O 2.9Å; R148-R160 PolarHBondContact O-N 3.12Å; D158-R160 IonicContact OD2-CZ 3.85Å; D158-R160 IonicContact OD2-NE 2.75Å; D158-R160 PolarHBondContact OD2-NE 3.44Å; D158-R160 IonicContact OD2-NH2 3.87Å; D158-R160 PolarHBondContact OD2-NH2 3.41Å; R160-E162 PolarHBondContact O-N 3.5Å
161A50.3Low63.7Low51 Ų5197.7 Ų97.742%0.42151%0.506SS..EExtended strand (participates in β ladder)trans-81.497.1169.700000108.4K145 L147K145-A161 HydrophobicContact CB-CB 4.23Å; K145-A161 HydrophobicContact CD-CB 3.91Å; L147-A161 HydrophobicContact CD2-CB 4.18Å
162E52.1Low65.5Low51 Ų5193 Ų9324%0.23848%0.483CS..EExtended strand (participates in β ladder)trans-87.3130.3176.6-79-179-174.200110K146 R148 R160 Q164K146-E162 PolarHBondContact N-O 3.44Å; K146-E162 PolarHBondContact O-N 2.84Å; R148-E162 WeakPolarHBondContact CD-OE2 3.43Å; R148-E162 IonicContact CZ-OE2 3.26Å; R148-E162 IonicContact NE-OE2 2.92Å; R148-E162 IonicContact NH1-OE1 2.81Å; R148-E162 PolarHBondContact NH1-OE1 2.83Å; R148-E162 IonicContact NH1-OE2 2.73Å; R148-E162 PolarHBondContact NH1-OE2 3.32Å; R160-E162 PolarHBondContact O-N 3.5Å; E162-Q164 PolarHBondContact O-N 3.12Å
163Q48.7Very low67Low93 Ų9390.9 Ų90.944%0.43547%0.469SS..  trans-80101.2165.4-77.9-173.8-2200107.4K145 Y165K145-Q163 HydrophobicContact CG-CG 4.26Å; Q163-Y165 PolarHBondContact O-N 2.94Å
164Q49.3Very low68.1Low91 Ų9193.6 Ų93.643%0.42548%0.479SS..  trans-91.991.5-166.1-136.7177.78.600111.5E162E162-Q164 PolarHBondContact O-N 3.12Å
165Y52.4Low69.6Low172 Ų17284.3 Ų84.368%0.67543%0.434SS*.  trans-13191.9148.5-107.4-91.3000106.9T143 Q163 A167T143-Y165 HydrophobicContact CG2-CD2 4.13Å; T143-Y165 HydrophobicContact CG2-CE2 4.24Å; Q163-Y165 PolarHBondContact O-N 2.94Å; Y165-A167 PolarHBondContact O-N 2.85Å
166Y60.7Low70.9Confident197 Ų19779 Ų7977%0.77340%0.397SS*.  trans-86.5106.4173.9-125.5-93.2000107.4P168Y166-P168 WeakPolarHBondContact O-CD 3.21Å
167A73.1Confident72.8Confident61 Ų6173.7 Ų73.750%0.50437%0.372SS..  trans-95.792168.600000107.3Y165 K169Y165-A167 PolarHBondContact O-N 2.85Å; A167-K169 PolarHBondContact O-N 3.25Å
168P83.8Confident74.8Confident92 Ų9270.7 Ų70.760%0.59736%0.356SS*.  trans-60.6127.9-176.225.8-33.9000109.5Y166 N213Y166-P168 WeakPolarHBondContact O-CD 3.21Å; P168-N213 PolarHBondContact O-ND2 3Å
169K92.3Very high76.6Confident49 Ų4969.7 Ų69.721%0.21336%0.36CS..  trans-104.6151.4177.4-65.8-62.6-174.7176.40109.8A167 G171 S206 L207 S208 N213A167-K169 PolarHBondContact O-N 3.25Å; K169-G171 PolarHBondContact O-N 2.85Å; K169-S206 WeakPolarHBondContact CB-O 3.46Å; K169-S206 WeakPolarHBondContact CD-O 3.38Å; K169-S206 WeakPolarHBondContact CG-O 3.44Å; K169-L207 HydrophobicContact CG-CD2 4.28Å; K169-S208 PolarHBondContact NZ-O 2.84Å; K169-N213 WeakPolarHBondContact CD-OD1 3.49Å; K169-N213 VanDerWaalsContact CE-OD1 3.28Å; K169-N213 WeakPolarHBondContact CE-OD1 3.44Å; K169-N213 PolarHBondContact NZ-OD1 3.08Å
170K92.7Very high78.5Confident64 Ų6468.5 Ų68.528%0.27836%0.355SS..  trans-55133.4164.1-71.1-179.2178.1175.60108.7D174 L175 S206 Q215K170-D174 HydrophobicContact CB-CB 4.25Å; K170-L175 HydrophobicContact CD-CD1 4.24Å; K170-S206 VanDerWaalsContact O-CB 3.25Å; K170-S206 WeakPolarHBondContact O-CB 3.44Å; K170-S206 PolarHBondContact O-OG 2.81Å; K170-S206 VanDerWaalsContact O-OG 3.12Å; K170-Q215 HydrophobicContact CD-CB 4.16Å; K170-Q215 PolarHBondContact NZ-O 3.09Å
171G92.7Very high80.5Confident31 Ų3163.2 Ų63.232%0.3234%0.335SS..  trans-71164.9171.300000110.6K169 H173 D174 L175K169-G171 PolarHBondContact O-N 2.85Å; G171-H173 PolarHBondContact O-N 3.18Å; G171-D174 PolarHBondContact O-N 2.81Å; G171-L175 WeakPolarHBondContact O-CB 3.32Å; G171-L175 PolarHBondContact O-N 3.48Å
172V93.4Very high82.5Confident15 Ų1564.8 Ų64.89%0.09134%0.343CS..Hα-helixtrans-56.8-42.8176.4179.90000111.2D174 L175 V176 M191 F202 Y203V172-D174 VanDerWaalsContact C-N 3.26Å; V172-D174 PolarHBondContact O-N 2.88Å; V172-L175 PolarHBondContact O-N 2.82Å; V172-L175 VanDerWaalsContact O-N 3.12Å; V172-V176 HydrophobicContact CG1-CG2 3.85Å; V172-V176 WeakPolarHBondContact O-CG2 3.15Å; V172-V176 PolarHBondContact O-N 3.01Å; V172-M191 HydrophobicContact CB-CE 4.44Å; V172-M191 HydrophobicContact CG1-CE 3.32Å; V172-M191 HydrophobicContact CG1-SD 3.95Å; V172-F202 HydrophobicContact CG1-CB 3.67Å; V172-F202 HydrophobicContact CG1-CG 4.47Å; V172-F202 HydrophobicContact CG2-CB 4.36Å; V172-Y203 HydrophobicContact CG2-CD2 4.22Å
173H92.3Very high84.5Confident94 Ų9464.9 Ų64.944%0.43535%0.345SS..Hα-helixtrans-61.7-30.5177.4-170.1-80.9000113.3G171 K184 L187G171-H173 PolarHBondContact O-N 3.18Å; H173-K184 WeakPolarHBondContact O-CD 3.38Å; H173-K184 WeakPolarHBondContact O-CE 3.12Å; H173-K184 PolarHBondContact O-NZ 3.14Å; H173-L187 HydrophobicContact CB-CD2 4.31Å
174D94.1Very high86.6Confident102 Ų10262.7 Ų62.755%0.54533%0.334SS..Hα-helixtrans-78.6-36175.3-63.5-37.9000111.5K170 G171 V172 K184K170-D174 HydrophobicContact CB-CB 4.25Å; G171-D174 PolarHBondContact O-N 2.81Å; V172-D174 VanDerWaalsContact C-N 3.26Å; V172-D174 PolarHBondContact O-N 2.88Å; D174-K184 PolarHBondContact O-NZ 2.93Å; D174-K184 VanDerWaalsContact O-NZ 3.08Å
175L95.8Very high88.5Confident1 Ų162.7 Ų62.71%0.00534%0.344CS..Hα-helixtrans-79.9-31.6-173-164.869.5000113.6K170 G171 V172 A205 Y217 G218 F219K170-L175 HydrophobicContact CD-CD1 4.24Å; G171-L175 WeakPolarHBondContact O-CB 3.32Å; G171-L175 PolarHBondContact O-N 3.48Å; V172-L175 PolarHBondContact O-N 2.82Å; V172-L175 VanDerWaalsContact O-N 3.12Å; L175-A205 HydrophobicContact CD2-CB 4.46Å; L175-Y217 HydrophobicContact CD1-CD2 4.06Å; L175-Y217 HydrophobicContact CD1-CE2 4.22Å; L175-Y217 WeakPolarHBondContact CD1-O 3.3Å; L175-G218 CarbonylContact O-C 3.57Å; L175-G218 VanDerWaalsContact O-CA 3.24Å; L175-G218 WeakPolarHBondContact O-CA 3.3Å; L175-F219 HydrophobicContact CD2-CD2 3.92Å; L175-F219 HydrophobicContact CD2-CE2 3.8Å; L175-F219 HydrophobicContact CG-CD2 3.96Å; L175-F219 HydrophobicContact CG-CE2 4.28Å; L175-F219 PolarHBondContact O-N 3.34Å
176V95.7Very high90.1Very high0 Ų055.8 Ų55.80%033%0.325CS..EExtended strand (participates in β ladder)trans-108138.3-170.7-171.80000111.7V172 K184 L187 F202 F219 V221V172-V176 HydrophobicContact CG1-CG2 3.85Å; V172-V176 WeakPolarHBondContact O-CG2 3.15Å; V172-V176 PolarHBondContact O-N 3.01Å; V176-K184 WeakPolarHBondContact O-CD 3.34Å; V176-K184 PolarHBondContact O-NZ 2.73Å; V176-L187 HydrophobicContact CB-CD1 3.91Å; V176-L187 HydrophobicContact CB-CD2 4.5Å; V176-L187 HydrophobicContact CG1-CD1 3.58Å; V176-F202 HydrophobicContact CG1-CD2 4.4Å; V176-F202 HydrophobicContact CG1-CE1 4.31Å; V176-F202 HydrophobicContact CG1-CE2 4.06Å; V176-F202 HydrophobicContact CG1-CZ 4.01Å; V176-F202 HydrophobicContact CG2-CB 3.9Å; V176-F202 HydrophobicContact CG2-CD1 3.5Å; V176-F202 HydrophobicContact CG2-CD2 3.92Å; V176-F202 HydrophobicContact CG2-CE1 3.93Å; V176-F202 HydrophobicContact CG2-CE2 4.3Å; V176-F202 HydrophobicContact CG2-CG 3.51Å; V176-F202 HydrophobicContact CG2-CZ 4.31Å; V176-F219 CarbonylContact C-O 3.49Å; V176-F219 WeakPolarHBondContact CA-O 3.4Å; V176-F219 HydrophobicContact CG1-CB 4.45Å; V176-F219 HydrophobicContact CG2-CB 4.36Å; V176-V221 HydrophobicContact CG1-CG2 3.87Å
177H95.2Very high91.2Very high13 Ų1346.5 Ų46.56%0.0629%0.289CS..EExtended strand (participates in β ladder)trans-125.1147.4-179.8-58.8-88.9000110.4W181 S182 N183 K184 F219 L220 V221H177-W181 HydrophobicContact CB-CE3 4.44Å; H177-W181 AromaticContact CD2-CE3 3.71Å; H177-W181 AromaticContact CD2-CH2 3.73Å; H177-W181 AromaticContact CD2-CZ3 3.49Å; H177-W181 VanDerWaalsContact CD2-CZ3 3.49Å; H177-W181 WeakPolarHBondContact CD2-CZ3 3.45Å; H177-W181 AromaticContact NE2-CE2 3.89Å; H177-W181 AromaticContact NE2-CH2 3.76Å; H177-W181 AromaticContact NE2-CZ2 3.7Å; H177-W181 AromaticContact NE2-CZ3 3.99Å; H177-S182 WeakPolarHBondContact ND1-CA 3.23Å; H177-S182 PolarHBondContact ND1-N 3.03Å; H177-N183 WeakPolarHBondContact CA-O 3.25Å; H177-K184 PolarHBondContact CE1-NZ 3.32Å; H177-K184 PolarHBondContact ND1-NZ 3.15Å; H177-F219 PolarHBondContact CD2-O 2.9Å; H177-F219 PolarHBondContact N-O 3.32Å; H177-L220 HydrophobicContact CB-CD1 4.03Å; H177-V221 PolarHBondContact O-N 2.53Å
178M93.4Very high91.8Very high29 Ų2949.1 Ų49.114%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-117.5121.2-173.9-66.3-58.5-65.200112.1S180 N183 S185 L187 M190 V221M178-S180 PolarHBondContact O-N 2.89Å; M178-N183 PolarHBondContact N-O 3.05Å; M178-N183 WeakPolarHBondContact O-CB 3.31Å; M178-N183 PolarHBondContact O-ND2 3.03Å; M178-S185 WeakPolarHBondContact CB-O 3.46Å; M178-L187 HydrophobicContact CG-CB 3.88Å; M178-L187 HydrophobicContact CG-CD1 3.81Å; M178-L187 HydrophobicContact CG-CG 4.48Å; M178-L187 HydrophobicContact SD-CD1 3.79Å; M178-M190 HydrophobicContact CE-CB 3.98Å; M178-M190 HydrophobicContact CE-CE 4.09Å; M178-M190 HydrophobicContact CE-CG 4.09Å; M178-M190 HydrophobicContact SD-CE 3.53Å; M178-M190 VanDerWaalsContact SD-CE 3.53Å; M178-V221 HydrophobicContact CE-CB 4.22Å; M178-V221 HydrophobicContact CE-CG1 4.14Å; M178-V221 HydrophobicContact SD-CB 3.67Å; M178-V221 HydrophobicContact SD-CG1 4.2Å; M178-V221 HydrophobicContact SD-CG2 4.02Å
179G93.3Very high91.7Very high38 Ų3851.4 Ų51.439%0.39230%0.297SS..SBendtrans71.7-44.1176.700000114.5V221G179-V221 PolarHBondContact N-O 2.81Å
180S94Very high91.1Very high52 Ų5251.1 Ų51.136%0.36430%0.297SS..SBendtrans-140.7155.717562.10000111.3M178 N183M178-S180 PolarHBondContact O-N 2.89Å; S180-N183 WeakPolarHBondContact O-CB 3.08Å; S180-N183 PolarHBondContact O-N 2.91Å; S180-N183 VanDerWaalsContact O-N 3.16Å; S180-N183 WeakPolarHBondContact OG-CB 3.13Å
181W94.9Very high90.2Very high32 Ų3248.8 Ų48.812%0.12129%0.287CS..THydrogen-bonded Turntrans-59.4143.8178-166.2-101.1000111.2H177 N183 L220 V229 Q231 L275 P276 L279H177-W181 HydrophobicContact CB-CE3 4.44Å; H177-W181 AromaticContact CD2-CE3 3.71Å; H177-W181 AromaticContact CD2-CH2 3.73Å; H177-W181 AromaticContact CD2-CZ3 3.49Å; H177-W181 VanDerWaalsContact CD2-CZ3 3.49Å; H177-W181 WeakPolarHBondContact CD2-CZ3 3.45Å; H177-W181 AromaticContact NE2-CE2 3.89Å; H177-W181 AromaticContact NE2-CH2 3.76Å; H177-W181 AromaticContact NE2-CZ2 3.7Å; H177-W181 AromaticContact NE2-CZ3 3.99Å; W181-N183 PolarHBondContact O-N 3.08Å; W181-N183 VanDerWaalsContact O-N 3.12Å; W181-L220 HydrophobicContact CE3-CB 4.29Å; W181-L220 HydrophobicContact CZ3-CB 4.5Å; W181-V229 HydrophobicContact CE3-CB 4.26Å; W181-V229 HydrophobicContact CE3-CG1 4.19Å; W181-V229 HydrophobicContact CE3-CG2 4.12Å; W181-V229 HydrophobicContact CH2-CB 3.77Å; W181-V229 HydrophobicContact CH2-CG1 3.8Å; W181-V229 HydrophobicContact CH2-CG2 4.46Å; W181-V229 HydrophobicContact CZ2-CG1 4.43Å; W181-V229 HydrophobicContact CZ3-CB 3.45Å; W181-V229 VanDerWaalsContact CZ3-CB 3.45Å; W181-V229 HydrophobicContact CZ3-CG1 3.69Å; W181-V229 HydrophobicContact CZ3-CG2 3.65Å; W181-Q231 HydrophobicContact CZ2-CG 4.31Å; W181-L275 HydrophobicContact CE3-CD1 4.24Å; W181-P276 VanDerWaalsContact CB-CD 3.46Å; W181-P276 HydrophobicContact CB-CG 3.89Å; W181-P276 HydrophobicContact CG-CG 4.09Å; W181-L279 HydrophobicContact CD2-CD1 3.62Å; W181-L279 HydrophobicContact CE3-CD1 4.39Å; W181-L279 HydrophobicContact CG-CD1 3.73Å; W181-L279 HydrophobicContact CZ2-CD1 3.88Å; W181-L279 VanDerWaalsContact NE1-CD1 3.29Å
182S92.8Very high88.9Confident83 Ų8352.9 Ų52.958%0.5830%0.302SS*.THydrogen-bonded Turntrans66.3-8.5-172.9-56.70000116.7H177H177-S182 WeakPolarHBondContact ND1-CA 3.23Å; H177-S182 PolarHBondContact ND1-N 3.03Å
183N94.1Very high87.3Confident53 Ų5359.2 Ų59.228%0.28333%0.329SS..  trans-79.1134.4173.4-177.326.9000111.4H177 M178 S180 W181 S185H177-N183 WeakPolarHBondContact CA-O 3.25Å; M178-N183 PolarHBondContact N-O 3.05Å; M178-N183 WeakPolarHBondContact O-CB 3.31Å; M178-N183 PolarHBondContact O-ND2 3.03Å; S180-N183 WeakPolarHBondContact O-CB 3.08Å; S180-N183 PolarHBondContact O-N 2.91Å; S180-N183 VanDerWaalsContact O-N 3.16Å; S180-N183 WeakPolarHBondContact OG-CB 3.13Å; W181-N183 PolarHBondContact O-N 3.08Å; W181-N183 VanDerWaalsContact O-N 3.12Å; N183-S185 WeakPolarHBondContact OD1-CB 3.15Å; N183-S185 PolarHBondContact OD1-N 3.2Å; N183-S185 PolarHBondContact OD1-OG 3.3Å
184K91.8Very high85.7Confident47 Ų4763 Ų6320%0.20434%0.34CS..  trans-118.2-9.7179.6-54.2-62.8-179.5174.90113H173 D174 V176 H177 G186 L187H173-K184 WeakPolarHBondContact O-CD 3.38Å; H173-K184 WeakPolarHBondContact O-CE 3.12Å; H173-K184 PolarHBondContact O-NZ 3.14Å; D174-K184 PolarHBondContact O-NZ 2.93Å; D174-K184 VanDerWaalsContact O-NZ 3.08Å; V176-K184 WeakPolarHBondContact O-CD 3.34Å; V176-K184 PolarHBondContact O-NZ 2.73Å; H177-K184 PolarHBondContact CE1-NZ 3.32Å; H177-K184 PolarHBondContact ND1-NZ 3.15Å; K184-G186 PolarHBondContact O-N 2.88Å; K184-L187 VanDerWaalsContact O-CB 3.24Å; K184-L187 WeakPolarHBondContact O-CB 3.45Å; K184-L187 PolarHBondContact O-N 3.49Å
185S90.1Very high84.1Confident91 Ų9164.1 Ų64.164%0.63635%0.347SS*.THydrogen-bonded Turntrans-63.8134.3177.6-49.40000110.1M178 N183 L187M178-S185 WeakPolarHBondContact CB-O 3.46Å; N183-S185 WeakPolarHBondContact OD1-CB 3.15Å; N183-S185 PolarHBondContact OD1-N 3.2Å; N183-S185 PolarHBondContact OD1-OG 3.3Å; S185-L187 VanDerWaalsContact C-N 3.35Å
186G85.5Confident83.2Confident28 Ų2866.8 Ų66.829%0.28936%0.361SS..THydrogen-bonded Turntrans91.5-9.4-176.600000114.4K184 E189 M190K184-G186 PolarHBondContact O-N 2.88Å; G186-E189 WeakPolarHBondContact CA-OE2 3.32Å; G186-E189 PolarHBondContact N-OE2 2.99Å; G186-M190 VanDerWaalsContact O-CB 3.31Å; G186-M190 WeakPolarHBondContact O-CB 3.45Å; G186-M190 PolarHBondContact O-N 2.89Å
187L85.1Confident82.7Confident2 Ų268.7 Ų68.71%0.0137%0.37CS..Hα-helixtrans-69.9-45.7-176.2-171.470.7000111.1H173 V176 M178 K184 S185 E189 M190 M191H173-L187 HydrophobicContact CB-CD2 4.31Å; V176-L187 HydrophobicContact CB-CD1 3.91Å; V176-L187 HydrophobicContact CB-CD2 4.5Å; V176-L187 HydrophobicContact CG1-CD1 3.58Å; M178-L187 HydrophobicContact CG-CB 3.88Å; M178-L187 HydrophobicContact CG-CD1 3.81Å; M178-L187 HydrophobicContact CG-CG 4.48Å; M178-L187 HydrophobicContact SD-CD1 3.79Å; K184-L187 VanDerWaalsContact O-CB 3.24Å; K184-L187 WeakPolarHBondContact O-CB 3.45Å; K184-L187 PolarHBondContact O-N 3.49Å; S185-L187 VanDerWaalsContact C-N 3.35Å; L187-E189 VanDerWaalsContact C-N 3.34Å; L187-E189 PolarHBondContact O-N 3.24Å; L187-M190 HydrophobicContact CD1-CE 3.83Å; L187-M190 PolarHBondContact O-N 2.94Å; L187-M191 HydrophobicContact CD1-CG 4.42Å; L187-M191 HydrophobicContact CD1-SD 3.5Å; L187-M191 VanDerWaalsContact CD1-SD 3.5Å; L187-M191 HydrophobicContact CD2-SD 4.37Å; L187-M191 HydrophobicContact CG-SD 3.67Å; L187-M191 VanDerWaalsContact O-CB 3.29Å; L187-M191 WeakPolarHBondContact O-CB 3.42Å; L187-M191 VanDerWaalsContact O-CG 3.23Å; L187-M191 WeakPolarHBondContact O-CG 3.28Å; L187-M191 PolarHBondContact O-N 3.03Å
188D84.4Confident82.5Confident116 Ų11668.9 Ų68.962%0.6237%0.372SS*.Hα-helixtrans-65.2-39.4178.8-67.8-20.8000110.7M191 D192D188-M191 CarbonylContact O-C 3.49Å; D188-M191 VanDerWaalsContact O-C 3.29Å; D188-M191 PolarHBondContact O-N 2.88Å; D188-D192 WeakPolarHBondContact O-CA 3.34Å; D188-D192 PolarHBondContact O-N 3.11Å
189E82.8Confident82.4Confident139 Ų13970.3 Ų70.365%0.6538%0.375SS*.Hα-helixtrans-68.7-33.4176.8-61.289.9161.500113.1G186 L187 M191G186-E189 WeakPolarHBondContact CA-OE2 3.32Å; G186-E189 PolarHBondContact N-OE2 2.99Å; L187-E189 VanDerWaalsContact C-N 3.34Å; L187-E189 PolarHBondContact O-N 3.24Å; E189-M191 VanDerWaalsContact C-N 3.31Å
190M78.3Confident82.3Confident43 Ų4370.4 Ų70.421%0.21237%0.366CS..Hα-helixtrans-71.8-29.9173.8-178.3-91.2-7300111.6M178 G186 L187 L198 F202 V221M178-M190 HydrophobicContact CE-CB 3.98Å; M178-M190 HydrophobicContact CE-CE 4.09Å; M178-M190 HydrophobicContact CE-CG 4.09Å; M178-M190 HydrophobicContact SD-CE 3.53Å; M178-M190 VanDerWaalsContact SD-CE 3.53Å; G186-M190 VanDerWaalsContact O-CB 3.31Å; G186-M190 WeakPolarHBondContact O-CB 3.45Å; G186-M190 PolarHBondContact O-N 2.89Å; L187-M190 HydrophobicContact CD1-CE 3.83Å; L187-M190 PolarHBondContact O-N 2.94Å; M190-L198 HydrophobicContact CG-CD1 4.41Å; M190-L198 HydrophobicContact SD-CB 4.08Å; M190-L198 HydrophobicContact SD-CD1 3.46Å; M190-L198 WeakPolarHBondContact SD-CD1 3.23Å; M190-L198 HydrophobicContact SD-CG 4.4Å; M190-F202 HydrophobicContact CE-CE2 4.11Å; M190-V221 HydrophobicContact CE-CG2 4.14Å
191M74.8Confident82.3Confident15 Ų1568 Ų687%0.07435%0.348CS..THydrogen-bonded Turntrans-11227.7-173.8-57178.370.600112.4V172 L187 D188 E189 F193 W199 F202V172-M191 HydrophobicContact CB-CE 4.44Å; V172-M191 HydrophobicContact CG1-CE 3.32Å; V172-M191 HydrophobicContact CG1-SD 3.95Å; L187-M191 HydrophobicContact CD1-CG 4.42Å; L187-M191 HydrophobicContact CD1-SD 3.5Å; L187-M191 VanDerWaalsContact CD1-SD 3.5Å; L187-M191 HydrophobicContact CD2-SD 4.37Å; L187-M191 HydrophobicContact CG-SD 3.67Å; L187-M191 VanDerWaalsContact O-CB 3.29Å; L187-M191 WeakPolarHBondContact O-CB 3.42Å; L187-M191 VanDerWaalsContact O-CG 3.23Å; L187-M191 WeakPolarHBondContact O-CG 3.28Å; L187-M191 PolarHBondContact O-N 3.03Å; D188-M191 CarbonylContact O-C 3.49Å; D188-M191 VanDerWaalsContact O-C 3.29Å; D188-M191 PolarHBondContact O-N 2.88Å; E189-M191 VanDerWaalsContact C-N 3.31Å; M191-F193 CarbonylContact O-C 3.49Å; M191-F193 PolarHBondContact O-N 3.39Å; M191-W199 HydrophobicContact CE-CB 3.62Å; M191-W199 HydrophobicContact CE-CG 3.57Å; M191-F202 HydrophobicContact CE-CD2 4.2Å
192D64.2Low82.4Confident118 Ų11866.4 Ų66.463%0.63134%0.343SS*.  trans-55.5-19.9-164.5-15620.5000113.6D188D188-D192 WeakPolarHBondContact O-CA 3.34Å; D188-D192 PolarHBondContact O-N 3.11Å
193F61Low82.4Confident148 Ų14866.3 Ų66.365%0.64933%0.33SS*.SBendtrans-121.9132.1170.5-65.2-82.6000112.2M191 D195 D196M191-F193 CarbonylContact O-C 3.49Å; M191-F193 PolarHBondContact O-N 3.39Å; F193-D195 PolarHBondContact O-N 2.66Å; F193-D195 VanDerWaalsContact O-N 3.07Å; F193-D196 WeakPolarHBondContact O-CB 3.15Å; F193-D196 PolarHBondContact O-N 2.79Å
194Y58.5Low82.5Confident173 Ų17364 Ų6468%0.67832%0.318SS*.THydrogen-bonded Turntrans-57.8-20.9172.3-69.3-73.9000113.6D196 W199Y194-D196 VanDerWaalsContact C-N 3.31Å; Y194-W199 AromaticContact CD1-CD2 3.97Å; Y194-W199 HydrophobicContact CD1-CD2 3.97Å; Y194-W199 AromaticContact CD1-CE2 3.41Å; Y194-W199 VanDerWaalsContact CD1-CE2 3.41Å; Y194-W199 HydrophobicContact CD1-CE3 4.45Å; Y194-W199 HydrophobicContact CD1-CG 4.5Å; Y194-W199 HydrophobicContact CD1-CH2 4.07Å; Y194-W199 AromaticContact CD1-CZ2 3.5Å; Y194-W199 HydrophobicContact CD1-CZ2 3.5Å; Y194-W199 VanDerWaalsContact CD1-CZ2 3.5Å; Y194-W199 HydrophobicContact CD1-CZ3 4.5Å; Y194-W199 AromaticContact CD1-NE1 3.57Å; Y194-W199 AromaticContact CE1-CE2 3.89Å; Y194-W199 AromaticContact CE1-CZ2 3.85Å; Y194-W199 HydrophobicContact CE1-CZ2 3.85Å; Y194-W199 AromaticContact CE1-NE1 3.75Å
195D59.6Low82.8Confident126 Ų12661.7 Ų61.767%0.67431%0.308SS*.THydrogen-bonded Turntrans-87.41.8175.2-66.6-30.1000113.2F193F193-D195 PolarHBondContact O-N 2.66Å; F193-D195 VanDerWaalsContact O-N 3.07Å
196D77.8Confident83.1Confident57 Ų5757.6 Ų57.631%0.30528%0.279SS..SBendtrans-65.5135.4173.2-166.9-66.7000110.2F193 Y194 L198 W199 Q200F193-D196 WeakPolarHBondContact O-CB 3.15Å; F193-D196 PolarHBondContact O-N 2.79Å; Y194-D196 VanDerWaalsContact C-N 3.31Å; D196-L198 PolarHBondContact O-N 2.9Å; D196-L198 WeakPolarHBondContact OD1-CB 3.23Å; D196-L198 PolarHBondContact OD1-N 3.3Å; D196-W199 HydrophobicContact CB-CB 4.34Å; D196-W199 PolarHBondContact O-N 3.28Å; D196-Q200 PolarHBondContact O-N 2.87Å
197M86Confident83.7Confident39 Ų3957.8 Ų57.819%0.19227%0.273CS..Hα-helixtrans-48.1-46.7175.9171.7-162.979.700112W199 Q200 S201 W259 A260M197-W199 VanDerWaalsContact C-N 3.34Å; M197-Q200 PolarHBondContact O-N 2.9Å; M197-S201 VanDerWaalsContact O-CB 3.29Å; M197-S201 WeakPolarHBondContact O-CB 3.27Å; M197-S201 PolarHBondContact O-N 3.01Å; M197-S201 PolarHBondContact O-OG 3.01Å; M197-W259 HydrophobicContact CB-CB 3.88Å; M197-W259 HydrophobicContact CB-CG 3.93Å; M197-W259 HydrophobicContact CG-CB 3.59Å; M197-W259 HydrophobicContact CG-CG 3.89Å; M197-W259 HydrophobicContact SD-CB 3.85Å; M197-A260 HydrophobicContact SD-CB 3.53Å; M197-A260 VanDerWaalsContact SD-CB 3.53Å
198L89.3Confident84.3Confident18 Ų1857.7 Ų57.79%0.09427%0.273CS..Hα-helixtrans-65.6-40.7-177.9-70177.4000110.7M190 D196 S201 F202 I226 F252 M287M190-L198 HydrophobicContact CG-CD1 4.41Å; M190-L198 HydrophobicContact SD-CB 4.08Å; M190-L198 HydrophobicContact SD-CD1 3.46Å; M190-L198 WeakPolarHBondContact SD-CD1 3.23Å; M190-L198 HydrophobicContact SD-CG 4.4Å; D196-L198 PolarHBondContact O-N 2.9Å; D196-L198 WeakPolarHBondContact OD1-CB 3.23Å; D196-L198 PolarHBondContact OD1-N 3.3Å; L198-S201 PolarHBondContact O-N 2.93Å; L198-F202 HydrophobicContact CB-CD2 4.29Å; L198-F202 HydrophobicContact CB-CE2 4.15Å; L198-F202 HydrophobicContact CD2-CE2 4.38Å; L198-F202 WeakPolarHBondContact O-CB 3.29Å; L198-F202 WeakPolarHBondContact O-CD2 3.36Å; L198-F202 WeakPolarHBondContact O-CG 3.37Å; L198-F202 PolarHBondContact O-N 3.42Å; L198-I226 HydrophobicContact CD2-CD1 3.59Å; L198-F252 HydrophobicContact CD2-CZ 4.35Å; L198-M287 HydrophobicContact CD1-SD 4.21Å; L198-M287 HydrophobicContact CD2-SD 4.29Å
199W91.1Very high84.8Confident59 Ų5952.5 Ų52.522%0.22325%0.246CC..Hα-helixtrans-60.2-50.1175.6-169102.3000111.8M191 Y194 D196 M197 S201 F202 Y203M191-W199 HydrophobicContact CE-CB 3.62Å; M191-W199 HydrophobicContact CE-CG 3.57Å; Y194-W199 AromaticContact CD1-CD2 3.97Å; Y194-W199 HydrophobicContact CD1-CD2 3.97Å; Y194-W199 AromaticContact CD1-CE2 3.41Å; Y194-W199 VanDerWaalsContact CD1-CE2 3.41Å; Y194-W199 HydrophobicContact CD1-CE3 4.45Å; Y194-W199 HydrophobicContact CD1-CG 4.5Å; Y194-W199 HydrophobicContact CD1-CH2 4.07Å; Y194-W199 AromaticContact CD1-CZ2 3.5Å; Y194-W199 HydrophobicContact CD1-CZ2 3.5Å; Y194-W199 VanDerWaalsContact CD1-CZ2 3.5Å; Y194-W199 HydrophobicContact CD1-CZ3 4.5Å; Y194-W199 AromaticContact CD1-NE1 3.57Å; Y194-W199 AromaticContact CE1-CE2 3.89Å; Y194-W199 AromaticContact CE1-CZ2 3.85Å; Y194-W199 HydrophobicContact CE1-CZ2 3.85Å; Y194-W199 AromaticContact CE1-NE1 3.75Å; D196-W199 HydrophobicContact CB-CB 4.34Å; D196-W199 PolarHBondContact O-N 3.28Å; M197-W199 VanDerWaalsContact C-N 3.34Å; W199-S201 VanDerWaalsContact C-N 3.29Å; W199-S201 PolarHBondContact O-N 2.97Å; W199-F202 PolarHBondContact O-N 3.49Å; W199-Y203 HydrophobicContact CH2-CD1 4.01Å; W199-Y203 AromaticContact CH2-CD2 3.91Å; W199-Y203 HydrophobicContact CH2-CD2 3.91Å; W199-Y203 HydrophobicContact CH2-CE2 4.42Å; W199-Y203 AromaticContact CH2-CG 3.69Å; W199-Y203 HydrophobicContact CH2-CG 3.69Å; W199-Y203 HydrophobicContact CZ2-CD2 4.26Å; W199-Y203 HydrophobicContact CZ2-CG 4.31Å; W199-Y203 AromaticContact CZ3-CD1 3.95Å; W199-Y203 HydrophobicContact CZ3-CD1 3.95Å; W199-Y203 AromaticContact CZ3-CG 3.84Å; W199-Y203 HydrophobicContact CZ3-CG 3.84Å; W199-Y203 WeakPolarHBondContact O-CB 3.33Å; W199-Y203 PolarHBondContact O-N 3.23Å
200Q92.2Very high85.5Confident40 Ų4046.6 Ų46.619%0.18722%0.22CC..Hα-helixtrans-62.5-38179.2-65.6-171.14.300112.2D196 M197 A204 V255D196-Q200 PolarHBondContact O-N 2.87Å; M197-Q200 PolarHBondContact O-N 2.9Å; Q200-A204 VanDerWaalsContact O-CB 3.3Å; Q200-A204 WeakPolarHBondContact O-CB 3.44Å; Q200-A204 PolarHBondContact O-N 3.33Å; Q200-V255 HydrophobicContact CB-CG1 3.89Å
201S94.7Very high86.1Confident0 Ų046 Ų460%022%0.215CC..Hα-helixtrans-70.5-44-179.2-54.10000112M197 L198 W199 A204 A205 F252 A256M197-S201 VanDerWaalsContact O-CB 3.29Å; M197-S201 WeakPolarHBondContact O-CB 3.27Å; M197-S201 PolarHBondContact O-N 3.01Å; M197-S201 PolarHBondContact O-OG 3.01Å; L198-S201 PolarHBondContact O-N 2.93Å; W199-S201 VanDerWaalsContact C-N 3.29Å; W199-S201 PolarHBondContact O-N 2.97Å; S201-A204 PolarHBondContact O-N 3.35Å; S201-A205 WeakPolarHBondContact O-CB 3.27Å; S201-A205 PolarHBondContact O-N 2.98Å; S201-F252 VanDerWaalsContact CB-CE2 3.49Å; S201-A256 WeakPolarHBondContact OG-CA 3.38Å; S201-A256 VanDerWaalsContact OG-CB 3.28Å; S201-A256 WeakPolarHBondContact OG-CB 3.47Å; S201-A256 PolarHBondContact OG-N 3.32Å
202F95.3Very high86.8Confident0 Ų049.6 Ų49.60%024%0.235CC..Hα-helixtrans-68.9-36.1174.4-71-53.4000112.4V172 V176 M190 M191 L198 W199 A205 S206 F219 V221 I226 F252V172-F202 HydrophobicContact CG1-CB 3.67Å; V172-F202 HydrophobicContact CG1-CG 4.47Å; V172-F202 HydrophobicContact CG2-CB 4.36Å; V176-F202 HydrophobicContact CG1-CD2 4.4Å; V176-F202 HydrophobicContact CG1-CE1 4.31Å; V176-F202 HydrophobicContact CG1-CE2 4.06Å; V176-F202 HydrophobicContact CG1-CZ 4.01Å; V176-F202 HydrophobicContact CG2-CB 3.9Å; V176-F202 HydrophobicContact CG2-CD1 3.5Å; V176-F202 HydrophobicContact CG2-CD2 3.92Å; V176-F202 HydrophobicContact CG2-CE1 3.93Å; V176-F202 HydrophobicContact CG2-CE2 4.3Å; V176-F202 HydrophobicContact CG2-CG 3.51Å; V176-F202 HydrophobicContact CG2-CZ 4.31Å; M190-F202 HydrophobicContact CE-CE2 4.11Å; M191-F202 HydrophobicContact CE-CD2 4.2Å; L198-F202 HydrophobicContact CB-CD2 4.29Å; L198-F202 HydrophobicContact CB-CE2 4.15Å; L198-F202 HydrophobicContact CD2-CE2 4.38Å; L198-F202 WeakPolarHBondContact O-CB 3.29Å; L198-F202 WeakPolarHBondContact O-CD2 3.36Å; L198-F202 WeakPolarHBondContact O-CG 3.37Å; L198-F202 PolarHBondContact O-N 3.42Å; W199-F202 PolarHBondContact O-N 3.49Å; F202-A205 PolarHBondContact O-N 2.86Å; F202-S206 WeakPolarHBondContact O-CB 3.34Å; F202-S206 PolarHBondContact O-N 3.05Å; F202-F219 HydrophobicContact CD1-CB 4.29Å; F202-F219 AromaticContact CD1-CD2 3.75Å; F202-F219 HydrophobicContact CD1-CD2 3.75Å; F202-F219 HydrophobicContact CD1-CE2 4.19Å; F202-F219 AromaticContact CD1-CG 3.96Å; F202-F219 HydrophobicContact CD1-CG 3.96Å; F202-F219 HydrophobicContact CE1-CB 3.65Å; F202-F219 AromaticContact CE1-CD1 3.98Å; F202-F219 HydrophobicContact CE1-CD1 3.98Å; F202-F219 AromaticContact CE1-CD2 3.86Å; F202-F219 HydrophobicContact CE1-CD2 3.86Å; F202-F219 AromaticContact CE1-CG 3.56Å; F202-F219 HydrophobicContact CE1-CG 3.56Å; F202-F219 HydrophobicContact CZ-CB 4.43Å; F202-V221 HydrophobicContact CE2-CG2 4.22Å; F202-V221 HydrophobicContact CZ-CG2 3.77Å; F202-I226 HydrophobicContact CE1-CG2 3.94Å; F202-I226 HydrophobicContact CZ-CD1 3.95Å; F202-I226 HydrophobicContact CZ-CG2 3.93Å; F202-F252 AromaticContact CD1-CD2 3.83Å; F202-F252 HydrophobicContact CD1-CD2 3.83Å; F202-F252 AromaticContact CD1-CE2 3.56Å; F202-F252 HydrophobicContact CD1-CE2 3.56Å; F202-F252 HydrophobicContact CE1-CD2 4.03Å; F202-F252 AromaticContact CE1-CE2 3.45Å; F202-F252 HydrophobicContact CE1-CE2 3.45Å; F202-F252 VanDerWaalsContact CE1-CE2 3.45Å; F202-F252 HydrophobicContact CE1-CZ 4.35Å; F202-F252 HydrophobicContact CE2-CE2 4.42Å; F202-F252 HydrophobicContact CG-CE2 4.1Å; F202-F252 AromaticContact CZ-CE2 3.92Å; F202-F252 HydrophobicContact CZ-CE2 3.92Å
203Y94.8Very high88.1Confident80 Ų8046.4 Ų46.431%0.31422%0.218SC..Hα-helixtrans-62.7-45.8173.8-179.2-114.5000111.1Q8 V172 W199 A205 S206 L207Q8-Y203 HydrophobicContact CG-CE1 4.4Å; V172-Y203 HydrophobicContact CG2-CD2 4.22Å; W199-Y203 HydrophobicContact CH2-CD1 4.01Å; W199-Y203 AromaticContact CH2-CD2 3.91Å; W199-Y203 HydrophobicContact CH2-CD2 3.91Å; W199-Y203 HydrophobicContact CH2-CE2 4.42Å; W199-Y203 AromaticContact CH2-CG 3.69Å; W199-Y203 HydrophobicContact CH2-CG 3.69Å; W199-Y203 HydrophobicContact CZ2-CD2 4.26Å; W199-Y203 HydrophobicContact CZ2-CG 4.31Å; W199-Y203 AromaticContact CZ3-CD1 3.95Å; W199-Y203 HydrophobicContact CZ3-CD1 3.95Å; W199-Y203 AromaticContact CZ3-CG 3.84Å; W199-Y203 HydrophobicContact CZ3-CG 3.84Å; W199-Y203 WeakPolarHBondContact O-CB 3.33Å; W199-Y203 PolarHBondContact O-N 3.23Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 3.19Å; Y203-S206 WeakPolarHBondContact O-CB 2.97Å; Y203-S206 PolarHBondContact O-N 3.05Å; Y203-S206 VanDerWaalsContact O-N 3.11Å; Y203-S206 PolarHBondContact O-OG 3.41Å; Y203-L207 HydrophobicContact CD1-CD1 4.31Å; Y203-L207 HydrophobicContact CE1-CD1 3.8Å; Y203-L207 WeakPolarHBondContact O-CG 3.24Å; Y203-L207 PolarHBondContact O-N 3.07Å
204A96.2Very high89.6Confident4 Ų443.8 Ų43.83%0.03320%0.203CC..Hα-helixtrans-59.9-43.5174.600000112.2I7 Q200 S201 S206 L207 H251 V255I7-A204 HydrophobicContact CD1-CB 3.95Å; I7-A204 HydrophobicContact CG2-CB 4.29Å; Q200-A204 VanDerWaalsContact O-CB 3.3Å; Q200-A204 WeakPolarHBondContact O-CB 3.44Å; Q200-A204 PolarHBondContact O-N 3.33Å; S201-A204 PolarHBondContact O-N 3.35Å; A204-S206 VanDerWaalsContact C-N 3.29Å; A204-S206 PolarHBondContact O-N 3.48Å; A204-L207 PolarHBondContact O-N 2.88Å; A204-L207 VanDerWaalsContact O-N 3.16Å; A204-H251 PolarHBondContact O-ND1 2.97Å; A204-V255 HydrophobicContact CB-CB 4.13Å; A204-V255 HydrophobicContact CB-CG2 3.55Å
205A97.7Very high91.4Very high0 Ų035.7 Ų35.70%017%0.172CC..Hα-helixtrans-61.5-36.6174.400000112.3L175 S201 F202 Y203 L207 S208 F219 V248 F252L175-A205 HydrophobicContact CD2-CB 4.46Å; S201-A205 WeakPolarHBondContact O-CB 3.27Å; S201-A205 PolarHBondContact O-N 2.98Å; F202-A205 PolarHBondContact O-N 2.86Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 3.19Å; A205-L207 PolarHBondContact O-N 3.21Å; A205-S208 WeakPolarHBondContact O-CB 3.47Å; A205-S208 PolarHBondContact O-N 3.43Å; A205-S208 PolarHBondContact O-OG 2.8Å; A205-F219 HydrophobicContact CB-CE2 3.67Å; A205-F219 HydrophobicContact CB-CZ 3.91Å; A205-V248 HydrophobicContact CB-CG2 3.81Å; A205-F252 HydrophobicContact CB-CB 4.08Å; A205-F252 HydrophobicContact CB-CD2 4.44Å
206S96.8Very high93.1Very high4 Ų430.2 Ų30.23%0.02814%0.143CC..Hα-helixtrans-66.6-24.1177.61100000112.7K169 K170 F202 Y203 A204 Q215K169-S206 WeakPolarHBondContact CB-O 3.46Å; K169-S206 WeakPolarHBondContact CD-O 3.38Å; K169-S206 WeakPolarHBondContact CG-O 3.44Å; K170-S206 VanDerWaalsContact O-CB 3.25Å; K170-S206 WeakPolarHBondContact O-CB 3.44Å; K170-S206 PolarHBondContact O-OG 2.81Å; K170-S206 VanDerWaalsContact O-OG 3.12Å; F202-S206 WeakPolarHBondContact O-CB 3.34Å; F202-S206 PolarHBondContact O-N 3.05Å; Y203-S206 WeakPolarHBondContact O-CB 2.97Å; Y203-S206 PolarHBondContact O-N 3.05Å; Y203-S206 VanDerWaalsContact O-N 3.11Å; Y203-S206 PolarHBondContact O-OG 3.41Å; A204-S206 VanDerWaalsContact C-N 3.29Å; A204-S206 PolarHBondContact O-N 3.48Å; S206-Q215 PolarHBondContact O-NE2 3.3Å
207L96.7Very high94Very high32 Ų3227.6 Ų27.617%0.16813%0.129CC..THydrogen-bonded Turntrans-86.4-6.7178.5-63.4177.6000114.3I7 Q8 K169 Y203 A204 A205I7-L207 HydrophobicContact CG2-CB 3.75Å; I7-L207 HydrophobicContact CG2-CD1 4.03Å; Q8-L207 HydrophobicContact CG-CD1 3.83Å; K169-L207 HydrophobicContact CG-CD2 4.28Å; Y203-L207 HydrophobicContact CD1-CD1 4.31Å; Y203-L207 HydrophobicContact CE1-CD1 3.8Å; Y203-L207 WeakPolarHBondContact O-CG 3.24Å; Y203-L207 PolarHBondContact O-N 3.07Å; A204-L207 PolarHBondContact O-N 2.88Å; A204-L207 VanDerWaalsContact O-N 3.16Å; A205-L207 PolarHBondContact O-N 3.21Å
208S97.2Very high94.5Very high0 Ų025.8 Ų25.80%012%0.12CC..  trans-56.1138.8-178.660.70000112.2K169 A205 Y217 H251K169-S208 PolarHBondContact NZ-O 2.84Å; A205-S208 WeakPolarHBondContact O-CB 3.47Å; A205-S208 PolarHBondContact O-N 3.43Å; A205-S208 PolarHBondContact O-OG 2.8Å; S208-Y217 PolarHBondContact OG-OH 3.29Å; S208-H251 VanDerWaalsContact CA-CE1 3.46Å; S208-H251 WeakPolarHBondContact CA-CE1 3.19Å; S208-H251 WeakPolarHBondContact CA-ND1 3.32Å; S208-H251 PolarHBondContact N-ND1 2.93Å
209P96.6Very high94.9Very high7 Ų725 Ų255%0.04512%0.116CC..  trans-61.5153.9166.626.9-30.9000109.8E95 I247E95-P209 VanDerWaalsContact OE1-CD 3.25Å; E95-P209 WeakPolarHBondContact OE1-CD 3.15Å; E95-P209 VanDerWaalsContact OE1-CG 3.31Å; E95-P209 WeakPolarHBondContact OE1-CG 3.23Å; E95-P209 WeakPolarHBondContact OE2-CG 3.22Å; P209-I247 HydrophobicContact CG-CD1 4.48Å; P209-I247 HydrophobicContact CG-CG2 3.67Å
210S95.9Very high95.2Very high15 Ų1522.1 Ų22.111%0.10511%0.105CC..  trans-150.9159.7172.584.90000108.3L212 N213 R214 Q215 D244S210-L212 PolarHBondContact O-N 3.27Å; S210-L212 VanDerWaalsContact O-N 3.14Å; S210-N213 PolarHBondContact O-N 2.93Å; S210-N213 WeakPolarHBondContact OG-CA 2.98Å; S210-R214 PolarHBondContact OG-N 3.12Å; S210-Q215 PolarHBondContact OG-N 3.01Å; S210-D244 WeakPolarHBondContact CA-OD1 3.4Å; S210-D244 WeakPolarHBondContact CB-OD2 3.49Å
211Y92.6Very high95.3Very high30 Ų3020.7 Ų20.712%0.11810%0.099CC..G310 helixtrans-50124.2174.5178.8-99.1000110.9Y65 T112 N213 R214 Y235 T236 D240 D244Y65-Y211 HydrophobicContact CD1-CE2 4.32Å; Y65-Y211 HydrophobicContact CE1-CD2 4.44Å; Y65-Y211 HydrophobicContact CE1-CE2 4.47Å; T112-Y211 HydrophobicContact CG2-CD2 3.64Å; T112-Y211 HydrophobicContact CG2-CE2 3.58Å; Y211-N213 PolarHBondContact O-N 2.91Å; Y211-R214 WeakPolarHBondContact O-CB 3.34Å; Y211-R214 VanDerWaalsContact O-CG 3.31Å; Y211-R214 WeakPolarHBondContact O-CG 3.24Å; Y211-R214 PolarHBondContact O-N 3.28Å; Y211-Y235 WeakPolarHBondContact CE1-O 3.16Å; Y211-T236 HydrophobicContact CD1-CG2 4.08Å; Y211-T236 HydrophobicContact CG-CG2 4.24Å; Y211-D240 HydrophobicContact CD2-CB 4.06Å; Y211-D240 WeakPolarHBondContact CD2-OD2 3.41Å; Y211-D240 VanDerWaalsContact CE2-OD2 3.25Å; Y211-D240 WeakPolarHBondContact CE2-OD2 3.38Å; Y211-D240 HydrophobicContact CG-CB 4.07Å; Y211-D244 PolarHBondContact N-OD1 2.82Å; Y211-D244 PolarHBondContact N-OD2 3.42Å; Y211-D244 VanDerWaalsContact N-OD2 3.08Å
212L88.5Confident95.2Very high92 Ų9222.2 Ų22.248%0.48211%0.106SC..G310 helixtrans44.329.7-175.6-60.3-179.2000114.9Y65 S210 R214Y65-L212 HydrophobicContact CD1-CD2 4.19Å; Y65-L212 HydrophobicContact CE1-CD2 4.48Å; S210-L212 PolarHBondContact O-N 3.27Å; S210-L212 VanDerWaalsContact O-N 3.14Å; L212-R214 HydrophobicContact CB-CG 4.04Å; L212-R214 PolarHBondContact O-N 3.33Å
213N91.7Very high94.9Very high51 Ų5128.9 Ų28.927%0.27314%0.142SC..G310 helixtrans56.928.6-177.8-16557.2000114.4P168 K169 S210 Y211P168-N213 PolarHBondContact O-ND2 3Å; K169-N213 WeakPolarHBondContact CD-OD1 3.49Å; K169-N213 VanDerWaalsContact CE-OD1 3.28Å; K169-N213 WeakPolarHBondContact CE-OD1 3.44Å; K169-N213 PolarHBondContact NZ-OD1 3.08Å; S210-N213 PolarHBondContact O-N 2.93Å; S210-N213 WeakPolarHBondContact OG-CA 2.98Å; Y211-N213 PolarHBondContact O-N 2.91Å
214R92.3Very high94.7Very high93 Ų9332 Ų3235%0.35116%0.159SC..  trans-78.1-30.4-174.5-62.3-173.268.474.17.3114.6S210 Y211 L212 D233 Y235S210-R214 PolarHBondContact OG-N 3.12Å; Y211-R214 WeakPolarHBondContact O-CB 3.34Å; Y211-R214 VanDerWaalsContact O-CG 3.31Å; Y211-R214 WeakPolarHBondContact O-CG 3.24Å; Y211-R214 PolarHBondContact O-N 3.28Å; L212-R214 HydrophobicContact CB-CG 4.04Å; L212-R214 PolarHBondContact O-N 3.33Å; R214-D233 WeakPolarHBondContact CD-OD2 3.39Å; R214-D233 IonicContact CZ-OD1 2.63Å; R214-D233 IonicContact CZ-OD2 3.73Å; R214-D233 IonicContact NE-OD1 3.92Å; R214-D233 PolarHBondContact NE-OD1 2.83Å; R214-D233 IonicContact NE-OD2 3.12Å; R214-D233 PolarHBondContact NE-OD2 3.38Å; R214-D233 IonicContact NH2-OD1 2.81Å; R214-D233 PolarHBondContact NH2-OD1 3.14Å; R214-D233 IonicContact NH2-OD2 2.72Å; R214-Y235 VanDerWaalsContact CZ-CD2 3.44Å
215Q95.8Very high94.6Very high3 Ų332.5 Ų32.51%0.01416%0.162CC..  trans45.357.7-177.8-53.6-178.3-85.700112.7K170 S206 S210 Y217K170-Q215 HydrophobicContact CD-CB 4.16Å; K170-Q215 PolarHBondContact NZ-O 3.09Å; S206-Q215 PolarHBondContact O-NE2 3.3Å; S210-Q215 PolarHBondContact OG-N 3.01Å; Q215-Y217 HydrophobicContact CB-CE1 4.36Å; Q215-Y217 HydrophobicContact CB-CE2 4.15Å; Q215-Y217 PolarHBondContact O-N 2.87Å
216P95.1Very high94.5Very high11 Ų1132.5 Ų32.57%0.07116%0.162CC..  trans-7851.1-175.436-37.2000112.1Q231 D233P216-Q231 PolarHBondContact O-N 3.44Å; P216-D233 HydrophobicContact CB-CB 3.66Å; P216-D233 HydrophobicContact CG-CB 4.15Å
217Y97.4Very high94.5Very high2 Ų234 Ų341%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-151.5169.4-179.948-102.8000110.2L175 S208 Q215 V229 D244 V248L175-Y217 HydrophobicContact CD1-CD2 4.06Å; L175-Y217 HydrophobicContact CD1-CE2 4.22Å; L175-Y217 WeakPolarHBondContact CD1-O 3.3Å; S208-Y217 PolarHBondContact OG-OH 3.29Å; Q215-Y217 HydrophobicContact CB-CE1 4.36Å; Q215-Y217 HydrophobicContact CB-CE2 4.15Å; Q215-Y217 PolarHBondContact O-N 2.87Å; Y217-V229 CarbonylContact C-O 3.52Å; Y217-V229 WeakPolarHBondContact CA-O 3.31Å; Y217-V229 WeakPolarHBondContact CB-O 3.33Å; Y217-D244 HydrophobicContact CD1-CB 4.47Å; Y217-D244 HydrophobicContact CE1-CB 4.01Å; Y217-V248 HydrophobicContact CD2-CB 4.39Å; Y217-V248 HydrophobicContact CD2-CG1 4.2Å; Y217-V248 HydrophobicContact CD2-CG2 4.08Å; Y217-V248 HydrophobicContact CE2-CB 3.87Å; Y217-V248 HydrophobicContact CE2-CG1 4.15Å; Y217-V248 HydrophobicContact CE2-CG2 3.56Å; Y217-V248 HydrophobicContact CG-CG1 4.44Å
218G97.6Very high94.6Very high1 Ų132.5 Ų32.51%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-162.3177.2172.200000110.7L175 V229L175-G218 CarbonylContact O-C 3.57Å; L175-G218 VanDerWaalsContact O-CA 3.24Å; L175-G218 WeakPolarHBondContact O-CA 3.3Å; G218-V229 PolarHBondContact N-O 2.88Å; G218-V229 PolarHBondContact O-N 2.75Å
219F97.7Very high94.7Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-112.2139.9178.3-65-84.2000110.8L175 V176 H177 F202 A205 I226 Y227 L228 V248 F252 W265L175-F219 HydrophobicContact CD2-CD2 3.92Å; L175-F219 HydrophobicContact CD2-CE2 3.8Å; L175-F219 HydrophobicContact CG-CD2 3.96Å; L175-F219 HydrophobicContact CG-CE2 4.28Å; L175-F219 PolarHBondContact O-N 3.34Å; V176-F219 CarbonylContact C-O 3.49Å; V176-F219 WeakPolarHBondContact CA-O 3.4Å; V176-F219 HydrophobicContact CG1-CB 4.45Å; V176-F219 HydrophobicContact CG2-CB 4.36Å; H177-F219 PolarHBondContact CD2-O 2.9Å; H177-F219 PolarHBondContact N-O 3.32Å; F202-F219 HydrophobicContact CD1-CB 4.29Å; F202-F219 AromaticContact CD1-CD2 3.75Å; F202-F219 HydrophobicContact CD1-CD2 3.75Å; F202-F219 HydrophobicContact CD1-CE2 4.19Å; F202-F219 AromaticContact CD1-CG 3.96Å; F202-F219 HydrophobicContact CD1-CG 3.96Å; F202-F219 HydrophobicContact CE1-CB 3.65Å; F202-F219 AromaticContact CE1-CD1 3.98Å; F202-F219 HydrophobicContact CE1-CD1 3.98Å; F202-F219 AromaticContact CE1-CD2 3.86Å; F202-F219 HydrophobicContact CE1-CD2 3.86Å; F202-F219 AromaticContact CE1-CG 3.56Å; F202-F219 HydrophobicContact CE1-CG 3.56Å; F202-F219 HydrophobicContact CZ-CB 4.43Å; A205-F219 HydrophobicContact CB-CE2 3.67Å; A205-F219 HydrophobicContact CB-CZ 3.91Å; F219-I226 HydrophobicContact CB-CG2 4.38Å; F219-I226 HydrophobicContact CD1-CG2 3.82Å; F219-I226 HydrophobicContact CG-CG2 4.47Å; F219-Y227 CarbonylContact C-O 3.52Å; F219-Y227 VanDerWaalsContact CA-O 3.24Å; F219-Y227 WeakPolarHBondContact CA-O 3.42Å; F219-L228 HydrophobicContact CD1-CB 4.34Å; F219-L228 HydrophobicContact CD1-CD1 4.25Å; F219-L228 HydrophobicContact CE1-CB 4.13Å; F219-L228 HydrophobicContact CE1-CD1 3.83Å; F219-L228 HydrophobicContact CE1-CG 4.5Å; F219-L228 HydrophobicContact CZ-CD1 4.01Å; F219-V248 HydrophobicContact CE2-CG2 4.05Å; F219-V248 HydrophobicContact CZ-CG2 3.88Å; F219-F252 HydrophobicContact CE1-CD2 4.47Å; F219-F252 HydrophobicContact CZ-CB 4.4Å; F219-F252 HydrophobicContact CZ-CD2 4.35Å; F219-W265 HydrophobicContact CD1-CH2 4.48Å; F219-W265 AromaticContact CE1-CH2 3.84Å; F219-W265 HydrophobicContact CE1-CH2 3.84Å; F219-W265 HydrophobicContact CE1-CZ2 4.44Å
220L96.7Very high94.7Very high0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-116.4115.4168.8173.461.2000108.5H177 W181 Q222 Y227 V229 P272 L275H177-L220 HydrophobicContact CB-CD1 4.03Å; W181-L220 HydrophobicContact CE3-CB 4.29Å; W181-L220 HydrophobicContact CZ3-CB 4.5Å; L220-Q222 HydrophobicContact CG-CB 4.44Å; L220-Y227 PolarHBondContact N-O 2.87Å; L220-Y227 PolarHBondContact O-N 3.24Å; L220-V229 HydrophobicContact CB-CG2 4.17Å; L220-P272 HydrophobicContact CD2-CB 4.19Å; L220-P272 HydrophobicContact CD2-CG 3.73Å; L220-L275 HydrophobicContact CD2-CD1 4.38Å
221V94.8Very high94.7Very high10 Ų1035.8 Ų35.86%0.06117%0.173CC..EExtended strand (participates in β ladder)trans-91.4116.1172.7-174.30000107.5V176 H177 M178 G179 M190 F202 S225 I226 M287V176-V221 HydrophobicContact CG1-CG2 3.87Å; H177-V221 PolarHBondContact O-N 2.53Å; M178-V221 HydrophobicContact CE-CB 4.22Å; M178-V221 HydrophobicContact CE-CG1 4.14Å; M178-V221 HydrophobicContact SD-CB 3.67Å; M178-V221 HydrophobicContact SD-CG1 4.2Å; M178-V221 HydrophobicContact SD-CG2 4.02Å; G179-V221 PolarHBondContact N-O 2.81Å; M190-V221 HydrophobicContact CE-CG2 4.14Å; F202-V221 HydrophobicContact CE2-CG2 4.22Å; F202-V221 HydrophobicContact CZ-CG2 3.77Å; V221-S225 WeakPolarHBondContact CA-O 3.46Å; V221-I226 HydrophobicContact CG2-CG1 4.32Å; V221-M287 HydrophobicContact CG1-CE 4.29Å
222Q92.9Very high94.6Very high31 Ų3142.9 Ų42.915%0.14521%0.207CC..EExtended strand (participates in β ladder)trans-139.4125.2-179.7-175.8172.4-600109.1L220 H224 S225 Y227 P272L220-Q222 HydrophobicContact CG-CB 4.44Å; Q222-H224 PolarHBondContact O-N 2.92Å; Q222-S225 PolarHBondContact N-O 2.73Å; Q222-S225 PolarHBondContact O-N 2.68Å; Q222-Y227 HydrophobicContact CB-CE2 4.39Å; Q222-P272 VanDerWaalsContact OE1-CB 3.28Å
223D88.5Confident94.8Very high140 Ų14040.1 Ų40.175%0.74919%0.193SC*.THydrogen-bonded Turntrans52.2-117.2-173.1-54-46.2000111.6
224H90Very high94.7Very high146 Ų14642.4 Ų42.468%0.67622%0.218SC*.THydrogen-bonded Turntrans-103.426.2177.4-59.4-62000112.7Q222 M287Q222-H224 PolarHBondContact O-N 2.92Å; H224-M287 PolarHBondContact O-N 3.23Å
225S94.1Very high94.5Very high14 Ų1445.1 Ų45.110%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-131.5145.6-175.5-550000112.5V221 Q222 Y285 H286V221-S225 WeakPolarHBondContact CA-O 3.46Å; Q222-S225 PolarHBondContact N-O 2.73Å; Q222-S225 PolarHBondContact O-N 2.68Å; S225-Y285 CarbonylContact C-O 3.58Å; S225-Y285 WeakPolarHBondContact CA-O 3.36Å; S225-H286 PolarHBondContact OG-CE1 3.14Å; S225-H286 PolarHBondContact OG-ND1 2.72Å
226I95.6Very high94.2Very high0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-116.5108.7173.2-57.1179.2000107.6L198 F202 F219 V221 F252 V284 Y285 M287L198-I226 HydrophobicContact CD2-CD1 3.59Å; F202-I226 HydrophobicContact CE1-CG2 3.94Å; F202-I226 HydrophobicContact CZ-CD1 3.95Å; F202-I226 HydrophobicContact CZ-CG2 3.93Å; F219-I226 HydrophobicContact CB-CG2 4.38Å; F219-I226 HydrophobicContact CD1-CG2 3.82Å; F219-I226 HydrophobicContact CG-CG2 4.47Å; V221-I226 HydrophobicContact CG2-CG1 4.32Å; I226-F252 HydrophobicContact CD1-CE2 4.46Å; I226-F252 HydrophobicContact CD1-CZ 3.74Å; I226-V284 WeakPolarHBondContact O-CA 3.4Å; I226-Y285 HydrophobicContact CD1-CD1 4.13Å; I226-Y285 PolarHBondContact N-O 3.37Å; I226-Y285 PolarHBondContact O-N 3.14Å; I226-M287 HydrophobicContact CD1-CG 4.1Å; I226-M287 HydrophobicContact CD1-SD 3.75Å; I226-M287 HydrophobicContact CG1-CE 4.22Å; I226-M287 HydrophobicContact CG1-CG 4.2Å; I226-M287 HydrophobicContact CG1-SD 3.95Å
227Y97.7Very high94.1Very high37 Ų3748.1 Ų48.115%0.14525%0.246CC..EExtended strand (participates in β ladder)trans-91.6128.2176.6-64.2-91.1000110.1F219 L220 Q222 P269 P272 S281 A283 V284F219-Y227 CarbonylContact C-O 3.52Å; F219-Y227 VanDerWaalsContact CA-O 3.24Å; F219-Y227 WeakPolarHBondContact CA-O 3.42Å; L220-Y227 PolarHBondContact N-O 2.87Å; L220-Y227 PolarHBondContact O-N 3.24Å; Q222-Y227 HydrophobicContact CB-CE2 4.39Å; Y227-P269 HydrophobicContact CD1-CG 4.37Å; Y227-P272 HydrophobicContact CD1-CB 4.41Å; Y227-P272 HydrophobicContact CD1-CG 3.99Å; Y227-P272 HydrophobicContact CD2-CB 4.02Å; Y227-P272 HydrophobicContact CD2-CG 3.99Å; Y227-P272 HydrophobicContact CE1-CB 4.17Å; Y227-P272 HydrophobicContact CE1-CG 4.19Å; Y227-P272 HydrophobicContact CE2-CB 3.78Å; Y227-P272 HydrophobicContact CE2-CG 4.23Å; Y227-P272 HydrophobicContact CG-CB 4.33Å; Y227-P272 HydrophobicContact CG-CG 3.86Å; Y227-S281 WeakPolarHBondContact CD1-OG 3Å; Y227-A283 CarbonylContact C-O 3.57Å; Y227-A283 WeakPolarHBondContact CA-O 3.45Å; Y227-V284 HydrophobicContact CD1-CB 3.7Å; Y227-V284 HydrophobicContact CD1-CG2 3.65Å; Y227-V284 HydrophobicContact CD2-CG2 4.32Å; Y227-V284 HydrophobicContact CE1-CB 3.82Å; Y227-V284 HydrophobicContact CE1-CG2 3.56Å; Y227-V284 HydrophobicContact CE2-CG2 4.22Å; Y227-V284 HydrophobicContact CG-CB 4.42Å; Y227-V284 HydrophobicContact CG-CG2 4.06Å
228L98.5Very high93.9Very high0 Ų055 Ų550%028%0.283CS..EExtended strand (participates in β ladder)trans-83118.5162.4176.160.3000108.3F219 L245 V248 M249 W265 A282 A283F219-L228 HydrophobicContact CD1-CB 4.34Å; F219-L228 HydrophobicContact CD1-CD1 4.25Å; F219-L228 HydrophobicContact CE1-CB 4.13Å; F219-L228 HydrophobicContact CE1-CD1 3.83Å; F219-L228 HydrophobicContact CE1-CG 4.5Å; F219-L228 HydrophobicContact CZ-CD1 4.01Å; L228-L245 HydrophobicContact CD1-CD2 4.29Å; L228-L245 HydrophobicContact CD2-CB 4.41Å; L228-L245 HydrophobicContact CD2-CD2 3.68Å; L228-L245 HydrophobicContact CG-CD2 3.89Å; L228-V248 HydrophobicContact CD1-CG1 3.9Å; L228-V248 HydrophobicContact CD2-CG1 3.77Å; L228-M249 HydrophobicContact CD2-CE 4.43Å; L228-M249 HydrophobicContact CD2-CG 3.47Å; L228-M249 VanDerWaalsContact CD2-CG 3.47Å; L228-M249 HydrophobicContact CD2-SD 4.11Å; L228-W265 HydrophobicContact CB-CZ3 4.27Å; L228-A282 HydrophobicContact CG-CB 4.39Å; L228-A282 PolarHBondContact O-N 3.08Å; L228-A283 HydrophobicContact CB-CB 4.28Å; L228-A283 PolarHBondContact N-O 3.05Å; L228-A283 PolarHBondContact O-N 2.82Å
229V98.1Very high93.8Very high0 Ų057 Ų570%029%0.293CS..EExtended strand (participates in β ladder)trans-109.1122.5-177.1179.80000109.3W181 Y217 G218 L220 L275 L279 R280W181-V229 HydrophobicContact CE3-CB 4.26Å; W181-V229 HydrophobicContact CE3-CG1 4.19Å; W181-V229 HydrophobicContact CE3-CG2 4.12Å; W181-V229 HydrophobicContact CH2-CB 3.77Å; W181-V229 HydrophobicContact CH2-CG1 3.8Å; W181-V229 HydrophobicContact CH2-CG2 4.46Å; W181-V229 HydrophobicContact CZ2-CG1 4.43Å; W181-V229 HydrophobicContact CZ3-CB 3.45Å; W181-V229 VanDerWaalsContact CZ3-CB 3.45Å; W181-V229 HydrophobicContact CZ3-CG1 3.69Å; W181-V229 HydrophobicContact CZ3-CG2 3.65Å; Y217-V229 CarbonylContact C-O 3.52Å; Y217-V229 WeakPolarHBondContact CA-O 3.31Å; Y217-V229 WeakPolarHBondContact CB-O 3.33Å; G218-V229 PolarHBondContact N-O 2.88Å; G218-V229 PolarHBondContact O-N 2.75Å; L220-V229 HydrophobicContact CB-CG2 4.17Å; V229-L275 HydrophobicContact CG1-CD1 3.93Å; V229-L275 HydrophobicContact CG1-CD2 4.47Å; V229-L275 HydrophobicContact CG2-CD1 3.99Å; V229-L279 HydrophobicContact CG1-CB 3.88Å; V229-L279 HydrophobicContact CG1-CD1 4.2Å; V229-R280 CarbonylContact C-O 3.56Å; V229-R280 WeakPolarHBondContact CA-O 3.2Å
230Q97.2Very high93.7Very high31 Ų3157.7 Ų57.715%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-85.6138.4171.6-176-176.111.300110.1L245 R280 A282Q230-L245 HydrophobicContact CB-CD1 4.32Å; Q230-L245 HydrophobicContact CB-CD2 4.21Å; Q230-L245 HydrophobicContact CG-CD1 4.3Å; Q230-R280 HydrophobicContact CB-CB 4.4Å; Q230-R280 PolarHBondContact N-O 3.41Å; Q230-R280 PolarHBondContact O-N 3.47Å; Q230-A282 HydrophobicContact CB-CB 4.35Å
231Q95.1Very high93.7Very high60 Ų6058 Ų5828%0.2830%0.299SS..EExtended strand (participates in β ladder)trans-109.4143.5171.3-49.1-177.740.700108.6W181 P216 L279W181-Q231 HydrophobicContact CZ2-CG 4.31Å; P216-Q231 PolarHBondContact O-N 3.44Å; Q231-L279 HydrophobicContact CB-CD2 4.07Å; Q231-L279 HydrophobicContact CG-CD2 3.8Å
232E92Very high93.8Very high178 Ų17858.3 Ų58.383%0.83230%0.303SS*.  trans-64.9143170-75.1-169.2171.500110.8
233D92.5Very high94.1Very high35 Ų3557 Ų5719%0.18730%0.297CS..  trans-141.1121.5179.8-177.578.5000111R214 P216 Y235 T236R214-D233 WeakPolarHBondContact CD-OD2 3.39Å; R214-D233 IonicContact CZ-OD1 2.63Å; R214-D233 IonicContact CZ-OD2 3.73Å; R214-D233 IonicContact NE-OD1 3.92Å; R214-D233 PolarHBondContact NE-OD1 2.83Å; R214-D233 IonicContact NE-OD2 3.12Å; R214-D233 PolarHBondContact NE-OD2 3.38Å; R214-D233 IonicContact NH2-OD1 2.81Å; R214-D233 PolarHBondContact NH2-OD1 3.14Å; R214-D233 IonicContact NH2-OD2 2.72Å; P216-D233 HydrophobicContact CB-CB 3.66Å; P216-D233 HydrophobicContact CG-CB 4.15Å; D233-Y235 PolarHBondContact O-N 2.96Å; D233-Y235 PolarHBondContact OD2-N 3.47Å; D233-Y235 VanDerWaalsContact OD2-N 3.09Å; D233-T236 PolarHBondContact O-N 3.16Å; D233-T236 WeakPolarHBondContact OD2-CB 3.49Å; D233-T236 PolarHBondContact OD2-N 3.45Å; D233-T236 PolarHBondContact OD2-OG1 2.66Å
234A90.1Very high94.5Very high98 Ų9850.7 Ų50.781%0.8126%0.263SS*.THydrogen-bonded Turntrans-64.3-12.4-172.700000114.9
235Y86.7Confident95Very high151 Ų15143.9 Ų43.959%0.59223%0.232SC*.THydrogen-bonded Turntrans-112.5-15.8-176.9-60.6-81000113.2Y211 R214 D233Y211-Y235 WeakPolarHBondContact CE1-O 3.16Å; R214-Y235 VanDerWaalsContact CZ-CD2 3.44Å; D233-Y235 PolarHBondContact O-N 2.96Å; D233-Y235 PolarHBondContact OD2-N 3.47Å; D233-Y235 VanDerWaalsContact OD2-N 3.09Å
236T90.5Very high95.2Very high15 Ų1543.2 Ų43.29%0.09223%0.227CC..SBendtrans-100.2116.7-177.1-48.30000108.2Y211 D233 D240 A241Y211-T236 HydrophobicContact CD1-CG2 4.08Å; Y211-T236 HydrophobicContact CG-CG2 4.24Å; D233-T236 PolarHBondContact O-N 3.16Å; D233-T236 WeakPolarHBondContact OD2-CB 3.49Å; D233-T236 PolarHBondContact OD2-N 3.45Å; D233-T236 PolarHBondContact OD2-OG1 2.66Å; T236-D240 HydrophobicContact CG2-CB 3.81Å; T236-A241 HydrophobicContact CG2-CB 3.93Å
237D91.7Very high95.3Very high62 Ų6243.3 Ų43.333%0.33223%0.228SC..  trans-74174.1177.473.632.6000111.9L239 D240 A241D237-L239 VanDerWaalsContact C-N 3.28Å; D237-L239 PolarHBondContact O-N 2.87Å; D237-L239 WeakPolarHBondContact OD1-CA 3.36Å; D237-L239 WeakPolarHBondContact OD1-CB 3.17Å; D237-L239 PolarHBondContact OD1-N 2.72Å; D237-D240 PolarHBondContact OD1-N 3.09Å; D237-A241 WeakPolarHBondContact O-CB 3.31Å; D237-A241 PolarHBondContact O-N 2.81Å
238N94.2Very high95.4Very high147 Ų14741.6 Ų41.679%0.78622%0.221SC*.Hα-helixtrans-64.2-31.6-176.9-71.3-23.9000113.5A242N238-A242 VanDerWaalsContact O-CB 3.29Å; N238-A242 WeakPolarHBondContact O-CB 3.44Å; N238-A242 PolarHBondContact O-N 3Å; N238-A242 VanDerWaalsContact O-N 3.13Å
239L95.4Very high95.4Very high43 Ų4341.6 Ų41.623%0.22522%0.221CC..Hα-helixtrans-72.5-52.9179.9170.664.1000109.3A87 F113 D237 A241 A242 L243A87-L239 HydrophobicContact CB-CD1 3.78Å; F113-L239 HydrophobicContact CD1-CD2 4.35Å; F113-L239 HydrophobicContact CD2-CD2 4.22Å; F113-L239 HydrophobicContact CE1-CD2 3.86Å; F113-L239 HydrophobicContact CE2-CD2 3.73Å; F113-L239 HydrophobicContact CZ-CD1 4.49Å; F113-L239 HydrophobicContact CZ-CD2 3.52Å; D237-L239 VanDerWaalsContact C-N 3.28Å; D237-L239 PolarHBondContact O-N 2.87Å; D237-L239 WeakPolarHBondContact OD1-CA 3.36Å; D237-L239 WeakPolarHBondContact OD1-CB 3.17Å; D237-L239 PolarHBondContact OD1-N 2.72Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 3.27Å; L239-A242 PolarHBondContact O-N 2.94Å; L239-A242 VanDerWaalsContact O-N 3.14Å; L239-L243 HydrophobicContact CD1-CD1 4.26Å; L239-L243 HydrophobicContact CD1-CG 4.35Å; L239-L243 HydrophobicContact CG-CD1 4.17Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.14Å
240D95.3Very high95.4Very high13 Ų1341.6 Ų41.67%0.0722%0.221CC..Hα-helixtrans-60.3-41.1178.5-77.4-35.7000111.2Y211 T236 D237 A242 L243 D244Y211-D240 HydrophobicContact CD2-CB 4.06Å; Y211-D240 WeakPolarHBondContact CD2-OD2 3.41Å; Y211-D240 VanDerWaalsContact CE2-OD2 3.25Å; Y211-D240 WeakPolarHBondContact CE2-OD2 3.38Å; Y211-D240 HydrophobicContact CG-CB 4.07Å; T236-D240 HydrophobicContact CG2-CB 3.81Å; D237-D240 PolarHBondContact OD1-N 3.09Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 PolarHBondContact O-N 2.63Å; D240-L243 PolarHBondContact O-N 3.28Å; D240-D244 VanDerWaalsContact O-CB 3.3Å; D240-D244 WeakPolarHBondContact O-CB 3.26Å; D240-D244 PolarHBondContact O-N 3.49Å
241A96.6Very high95.4Very high7 Ų740.1 Ų40.16%0.05821%0.214CC..Hα-helixtrans-64.4-38.2176.200000112.4T236 D237 L239 L245T236-A241 HydrophobicContact CG2-CB 3.93Å; D237-A241 WeakPolarHBondContact O-CB 3.31Å; D237-A241 PolarHBondContact O-N 2.81Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 3.27Å; A241-L245 VanDerWaalsContact O-CG 3.27Å; A241-L245 WeakPolarHBondContact O-CG 3.29Å; A241-L245 PolarHBondContact O-N 3.48Å; A241-L245 VanDerWaalsContact O-N 3.09Å
242A97.8Very high95.5Very high17 Ų1737.3 Ų37.314%0.1420%0.201CC..Hα-helixtrans-69.6-41.3176.200000111.9A87 I88 N238 L239 D240 L245 G246A87-A242 HydrophobicContact CB-CB 3.48Å; A87-A242 VanDerWaalsContact CB-CB 3.48Å; I88-A242 WeakPolarHBondContact CA-O 3.27Å; I88-A242 HydrophobicContact CG1-CB 3.76Å; N238-A242 VanDerWaalsContact O-CB 3.29Å; N238-A242 WeakPolarHBondContact O-CB 3.44Å; N238-A242 PolarHBondContact O-N 3Å; N238-A242 VanDerWaalsContact O-N 3.13Å; L239-A242 PolarHBondContact O-N 2.94Å; L239-A242 VanDerWaalsContact O-N 3.14Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 PolarHBondContact O-N 2.63Å; A242-L245 PolarHBondContact O-N 2.9Å; A242-G246 PolarHBondContact O-N 3.06Å; A242-G246 VanDerWaalsContact O-N 3.08Å
243L98.3Very high95.8Very high4 Ų428.8 Ų28.82%0.02116%0.161CC..Hα-helixtrans-57.8-50.2172.5-70.4171.3000110.4A87 A90 W110 A133 L239 D240 L245 G246 I247A87-L243 WeakPolarHBondContact O-CD2 3.47Å; A90-L243 HydrophobicContact CB-CD2 4.03Å; W110-L243 HydrophobicContact CH2-CD2 4.37Å; W110-L243 HydrophobicContact CZ3-CD1 4.22Å; W110-L243 HydrophobicContact CZ3-CD2 4.07Å; A133-L243 HydrophobicContact CB-CD2 4.11Å; L239-L243 HydrophobicContact CD1-CD1 4.26Å; L239-L243 HydrophobicContact CD1-CG 4.35Å; L239-L243 HydrophobicContact CG-CD1 4.17Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.14Å; D240-L243 PolarHBondContact O-N 3.28Å; L243-L245 VanDerWaalsContact C-N 3.29Å; L243-L245 PolarHBondContact O-N 3.44Å; L243-G246 WeakPolarHBondContact O-CA 3.25Å; L243-G246 PolarHBondContact O-N 3.38Å; L243-I247 WeakPolarHBondContact O-CG1 3.24Å; L243-I247 PolarHBondContact O-N 3.35Å
244D98.2Very high95.9Very high6 Ų627.6 Ų27.63%0.03216%0.156CC..Hα-helixtrans-53.1-43.2177.2-79.11.2000112.6S210 Y211 Y217 D240 I247 V248S210-D244 WeakPolarHBondContact CA-OD1 3.4Å; S210-D244 WeakPolarHBondContact CB-OD2 3.49Å; Y211-D244 PolarHBondContact N-OD1 2.82Å; Y211-D244 PolarHBondContact N-OD2 3.42Å; Y211-D244 VanDerWaalsContact N-OD2 3.08Å; Y217-D244 HydrophobicContact CD1-CB 4.47Å; Y217-D244 HydrophobicContact CE1-CB 4.01Å; D240-D244 VanDerWaalsContact O-CB 3.3Å; D240-D244 WeakPolarHBondContact O-CB 3.26Å; D240-D244 PolarHBondContact O-N 3.49Å; D244-I247 PolarHBondContact O-N 3.11Å; D244-V248 WeakPolarHBondContact O-CG1 3.43Å; D244-V248 PolarHBondContact O-N 3.23Å
245L98.7Very high96.2Very high4 Ų422.9 Ų22.92%0.02112%0.117CC..Hα-helixtrans-64.1-42.9175.6-69.6169.5000111.9I88 L228 Q230 A241 A242 L243 V248 M249 A282I88-L245 HydrophobicContact CD1-CD1 4.36Å; L228-L245 HydrophobicContact CD1-CD2 4.29Å; L228-L245 HydrophobicContact CD2-CB 4.41Å; L228-L245 HydrophobicContact CD2-CD2 3.68Å; L228-L245 HydrophobicContact CG-CD2 3.89Å; Q230-L245 HydrophobicContact CB-CD1 4.32Å; Q230-L245 HydrophobicContact CB-CD2 4.21Å; Q230-L245 HydrophobicContact CG-CD1 4.3Å; A241-L245 VanDerWaalsContact O-CG 3.27Å; A241-L245 WeakPolarHBondContact O-CG 3.29Å; A241-L245 PolarHBondContact O-N 3.48Å; A241-L245 VanDerWaalsContact O-N 3.09Å; A242-L245 PolarHBondContact O-N 2.9Å; L243-L245 VanDerWaalsContact C-N 3.29Å; L243-L245 PolarHBondContact O-N 3.44Å; L245-V248 WeakPolarHBondContact O-CG1 3.24Å; L245-M249 HydrophobicContact CB-CE 4.35Å; L245-M249 WeakPolarHBondContact O-CB 3.27Å; L245-M249 VanDerWaalsContact O-CE 3.26Å; L245-M249 WeakPolarHBondContact O-CE 3.18Å; L245-M249 VanDerWaalsContact O-CG 3.29Å; L245-M249 WeakPolarHBondContact O-CG 3.29Å; L245-M249 PolarHBondContact O-N 2.84Å; L245-A282 HydrophobicContact CD1-CB 3.77Å; L245-A282 HydrophobicContact CD2-CB 3.87Å; L245-A282 HydrophobicContact CG-CB 4.41Å
246G98.7Very high96.5Very high0 Ų015.7 Ų15.70%09%0.089CC..Hα-helixtrans-59.1-46.6174.500000112.7I88 Y92 A242 L243 M249 L250I88-G246 VanDerWaalsContact O-CA 3.23Å; I88-G246 WeakPolarHBondContact O-CA 3.36Å; Y92-G246 WeakPolarHBondContact CA-O 3.47Å; Y92-G246 WeakPolarHBondContact CD2-O 3.47Å; A242-G246 PolarHBondContact O-N 3.06Å; A242-G246 VanDerWaalsContact O-N 3.08Å; L243-G246 WeakPolarHBondContact O-CA 3.25Å; L243-G246 PolarHBondContact O-N 3.38Å; G246-M249 PolarHBondContact O-N 2.94Å; G246-L250 PolarHBondContact O-N 2.77Å
247I98.8Very high96.6Very high2 Ų217 Ų171%0.0110%0.098CC..Hα-helixtrans-61-51.5-179.9-63.6165.7000110.5E95 W110 P209 L243 D244 M249 L250 H251E95-I247 HydrophobicContact CB-CB 4.37Å; E95-I247 HydrophobicContact CB-CG1 4.1Å; E95-I247 HydrophobicContact CB-CG2 4.14Å; E95-I247 HydrophobicContact CG-CB 4.47Å; E95-I247 HydrophobicContact CG-CG2 3.72Å; W110-I247 HydrophobicContact CD2-CD1 4.29Å; W110-I247 HydrophobicContact CH2-CD1 4Å; W110-I247 HydrophobicContact CH2-CG1 4.18Å; W110-I247 HydrophobicContact CZ2-CD1 3.59Å; W110-I247 HydrophobicContact CZ2-CG1 3.73Å; P209-I247 HydrophobicContact CG-CD1 4.48Å; P209-I247 HydrophobicContact CG-CG2 3.67Å; L243-I247 WeakPolarHBondContact O-CG1 3.24Å; L243-I247 PolarHBondContact O-N 3.35Å; D244-I247 PolarHBondContact O-N 3.11Å; I247-M249 VanDerWaalsContact C-N 3.31Å; I247-M249 PolarHBondContact O-N 3.21Å; I247-L250 PolarHBondContact O-N 3.5Å; I247-H251 PolarHBondContact O-CD2 3.04Å; I247-H251 PolarHBondContact O-N 2.81Å
248V98.6Very high96.4Very high0 Ų018.5 Ų18.50%010%0.104CC..Hα-helixtrans-66-35.1-178.571.40000111.9A205 Y217 F219 L228 D244 L245 H251 F252A205-V248 HydrophobicContact CB-CG2 3.81Å; Y217-V248 HydrophobicContact CD2-CB 4.39Å; Y217-V248 HydrophobicContact CD2-CG1 4.2Å; Y217-V248 HydrophobicContact CD2-CG2 4.08Å; Y217-V248 HydrophobicContact CE2-CB 3.87Å; Y217-V248 HydrophobicContact CE2-CG1 4.15Å; Y217-V248 HydrophobicContact CE2-CG2 3.56Å; Y217-V248 HydrophobicContact CG-CG1 4.44Å; F219-V248 HydrophobicContact CE2-CG2 4.05Å; F219-V248 HydrophobicContact CZ-CG2 3.88Å; L228-V248 HydrophobicContact CD1-CG1 3.9Å; L228-V248 HydrophobicContact CD2-CG1 3.77Å; D244-V248 WeakPolarHBondContact O-CG1 3.43Å; D244-V248 PolarHBondContact O-N 3.23Å; L245-V248 WeakPolarHBondContact O-CG1 3.24Å; V248-H251 PolarHBondContact O-N 3.22Å; V248-F252 PolarHBondContact O-N 2.78Å; V248-F252 VanDerWaalsContact O-N 3.08Å
249M98.6Very high95.9Very high0 Ų018.3 Ų18.30%09%0.092CC..Hα-helixtrans-62.1-42.8173.8-81.2-170.4-75.800112.3L40 I88 Y92 L228 L245 G246 I247 S253 W265 L267 A283L40-M249 HydrophobicContact CD2-CE 3.7Å; L40-M249 HydrophobicContact CD2-SD 4.33Å; I88-M249 HydrophobicContact CG2-CE 3.13Å; Y92-M249 HydrophobicContact CD2-CB 3.93Å; Y92-M249 HydrophobicContact CE2-CB 4.17Å; L228-M249 HydrophobicContact CD2-CE 4.43Å; L228-M249 HydrophobicContact CD2-CG 3.47Å; L228-M249 VanDerWaalsContact CD2-CG 3.47Å; L228-M249 HydrophobicContact CD2-SD 4.11Å; L245-M249 HydrophobicContact CB-CE 4.35Å; L245-M249 WeakPolarHBondContact O-CB 3.27Å; L245-M249 VanDerWaalsContact O-CE 3.26Å; L245-M249 WeakPolarHBondContact O-CE 3.18Å; L245-M249 VanDerWaalsContact O-CG 3.29Å; L245-M249 WeakPolarHBondContact O-CG 3.29Å; L245-M249 PolarHBondContact O-N 2.84Å; G246-M249 PolarHBondContact O-N 2.94Å; I247-M249 VanDerWaalsContact C-N 3.31Å; I247-M249 PolarHBondContact O-N 3.21Å; M249-S253 VanDerWaalsContact O-CB 3.32Å; M249-S253 WeakPolarHBondContact O-CB 3.34Å; M249-S253 PolarHBondContact O-N 3.13Å; M249-S253 PolarHBondContact O-OG 2.91Å; M249-W265 HydrophobicContact CG-CD2 3.94Å; M249-W265 HydrophobicContact CG-CG 4.17Å; M249-W265 HydrophobicContact CG-CZ2 4.15Å; M249-W265 PolarHBondContact O-NE1 2.84Å; M249-W265 HydrophobicContact SD-CB 4.03Å; M249-W265 HydrophobicContact SD-CD2 3.86Å; M249-W265 HydrophobicContact SD-CE3 4.36Å; M249-W265 HydrophobicContact SD-CG 3.69Å; M249-L267 HydrophobicContact CE-CD2 3.99Å; M249-L267 HydrophobicContact SD-CD2 3.95Å; M249-A283 HydrophobicContact SD-CB 3.59Å; M249-A283 VanDerWaalsContact SD-CB 3.59Å
250L98.3Very high95.1Very high1 Ų118.7 Ų18.71%0.00510%0.101CC..Hα-helixtrans-61.8-49.7175.8177.377.4000110.6P38 Y92 E95 D96 L99 G246 I247 F252 S253 A254P38-L250 HydrophobicContact CG-CD1 4.05Å; Y92-L250 HydrophobicContact CD1-CD1 4.06Å; Y92-L250 HydrophobicContact CD2-CB 3.78Å; Y92-L250 HydrophobicContact CE1-CD1 3.65Å; Y92-L250 VanDerWaalsContact CE2-CA 3.43Å; Y92-L250 HydrophobicContact CE2-CB 3.89Å; Y92-L250 HydrophobicContact CE2-CD1 4.18Å; Y92-L250 HydrophobicContact CG-CB 4.13Å; Y92-L250 HydrophobicContact CG-CD1 4.47Å; Y92-L250 WeakPolarHBondContact O-CD2 3.43Å; E95-L250 VanDerWaalsContact C-CD2 3.47Å; E95-L250 HydrophobicContact CB-CD2 3.59Å; E95-L250 HydrophobicContact CG-CD2 3.8Å; D96-L250 HydrophobicContact CB-CD1 4.09Å; D96-L250 HydrophobicContact CB-CD2 3.73Å; L99-L250 HydrophobicContact CD1-CD2 4.21Å; G246-L250 PolarHBondContact O-N 2.77Å; I247-L250 PolarHBondContact O-N 3.5Å; L250-F252 VanDerWaalsContact C-N 3.28Å; L250-F252 PolarHBondContact O-N 2.86Å; L250-S253 PolarHBondContact O-N 3.39Å; L250-S253 PolarHBondContact O-OG 2.8Å; L250-A254 HydrophobicContact CD1-CB 4.31Å; L250-A254 HydrophobicContact CG-CB 4.45Å; L250-A254 WeakPolarHBondContact O-CB 3.2Å; L250-A254 PolarHBondContact O-N 3.21Å
251H98.1Very high94.5Very high0 Ų020 Ų200%012%0.118CC..Hα-helixtrans-56.8-44.6-177.7-86.4-136.1000112.1I7 E95 A204 S208 I247 V248I7-H251 HydrophobicContact CD1-CB 4.1Å; I7-H251 WeakPolarHBondContact CG2-ND1 3.45Å; E95-H251 WeakPolarHBondContact CG-NE2 3.49Å; E95-H251 IonicContact OE1-CE1 3.21Å; E95-H251 IonicContact OE1-NE2 3.93Å; E95-H251 PolarHBondContact OE1-NE2 2.86Å; E95-H251 VanDerWaalsContact OE1-NE2 3.08Å; A204-H251 PolarHBondContact O-ND1 2.97Å; S208-H251 VanDerWaalsContact CA-CE1 3.46Å; S208-H251 WeakPolarHBondContact CA-CE1 3.19Å; S208-H251 WeakPolarHBondContact CA-ND1 3.32Å; S208-H251 PolarHBondContact N-ND1 2.93Å; I247-H251 PolarHBondContact O-CD2 3.04Å; I247-H251 PolarHBondContact O-N 2.81Å; V248-H251 PolarHBondContact O-N 3.22Å
252F97.5Very high94Very high0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-64.4-57.6175.2-176.7-85.7000111.2L198 S201 F202 A205 F219 I226 V248 L250 A254 V255 A256 W265 Y285L198-F252 HydrophobicContact CD2-CZ 4.35Å; S201-F252 VanDerWaalsContact CB-CE2 3.49Å; F202-F252 AromaticContact CD1-CD2 3.83Å; F202-F252 HydrophobicContact CD1-CD2 3.83Å; F202-F252 AromaticContact CD1-CE2 3.56Å; F202-F252 HydrophobicContact CD1-CE2 3.56Å; F202-F252 HydrophobicContact CE1-CD2 4.03Å; F202-F252 AromaticContact CE1-CE2 3.45Å; F202-F252 HydrophobicContact CE1-CE2 3.45Å; F202-F252 VanDerWaalsContact CE1-CE2 3.45Å; F202-F252 HydrophobicContact CE1-CZ 4.35Å; F202-F252 HydrophobicContact CE2-CE2 4.42Å; F202-F252 HydrophobicContact CG-CE2 4.1Å; F202-F252 AromaticContact CZ-CE2 3.92Å; F202-F252 HydrophobicContact CZ-CE2 3.92Å; A205-F252 HydrophobicContact CB-CB 4.08Å; A205-F252 HydrophobicContact CB-CD2 4.44Å; F219-F252 HydrophobicContact CE1-CD2 4.47Å; F219-F252 HydrophobicContact CZ-CB 4.4Å; F219-F252 HydrophobicContact CZ-CD2 4.35Å; I226-F252 HydrophobicContact CD1-CE2 4.46Å; I226-F252 HydrophobicContact CD1-CZ 3.74Å; V248-F252 PolarHBondContact O-N 2.78Å; V248-F252 VanDerWaalsContact O-N 3.08Å; L250-F252 VanDerWaalsContact C-N 3.28Å; L250-F252 PolarHBondContact O-N 2.86Å; F252-A254 VanDerWaalsContact C-N 3.33Å; F252-A254 PolarHBondContact O-N 2.9Å; F252-V255 PolarHBondContact O-N 2.81Å; F252-A256 HydrophobicContact CD1-CB 4.27Å; F252-A256 HydrophobicContact CE1-CB 4Å; F252-A256 VanDerWaalsContact O-CB 3.28Å; F252-A256 WeakPolarHBondContact O-CB 3.13Å; F252-A256 PolarHBondContact O-N 2.94Å; F252-W265 HydrophobicContact CB-CZ2 4.12Å; F252-W265 HydrophobicContact CD1-CH2 4.09Å; F252-W265 AromaticContact CD1-CZ2 3.51Å; F252-W265 HydrophobicContact CD1-CZ2 3.51Å; F252-W265 HydrophobicContact CE1-CH2 4.45Å; F252-W265 HydrophobicContact CE1-CZ2 4.21Å; F252-W265 AromaticContact CG-CZ2 3.98Å; F252-W265 HydrophobicContact CG-CZ2 3.98Å; F252-Y285 HydrophobicContact CE1-CD1 4.09Å
253S96.9Very high93.7Very high0 Ų026.2 Ų26.20%014%0.143CC..Hα-helixtrans-67.2-34.2-170.363.50000112.5Y92 M249 L250 V255 S257Y92-S253 PolarHBondContact OH-OG 3.35Å; M249-S253 VanDerWaalsContact O-CB 3.32Å; M249-S253 WeakPolarHBondContact O-CB 3.34Å; M249-S253 PolarHBondContact O-N 3.13Å; M249-S253 PolarHBondContact O-OG 2.91Å; L250-S253 PolarHBondContact O-N 3.39Å; L250-S253 PolarHBondContact O-OG 2.8Å; S253-V255 VanDerWaalsContact C-N 3.35Å; S253-S257 WeakPolarHBondContact O-CB 3.27Å; S253-S257 PolarHBondContact O-N 2.89Å; S253-S257 PolarHBondContact O-OG 2.85Å
254A96.1Very high93.5Very high9 Ų934.6 Ų34.67%0.07417%0.174CC..Hα-helixtrans-71.1-30.8-177.600000112.6Y3 L250 F252Y3-A254 HydrophobicContact CD1-CB 3.45Å; Y3-A254 VanDerWaalsContact CD1-CB 3.45Å; Y3-A254 HydrophobicContact CD2-CB 3.74Å; Y3-A254 WeakPolarHBondContact CD2-O 3.45Å; Y3-A254 HydrophobicContact CE1-CB 3.65Å; Y3-A254 HydrophobicContact CE2-CB 3.95Å; Y3-A254 HydrophobicContact CG-CB 3.5Å; Y3-A254 VanDerWaalsContact CG-CB 3.5Å; L250-A254 HydrophobicContact CD1-CB 4.31Å; L250-A254 HydrophobicContact CG-CB 4.45Å; L250-A254 WeakPolarHBondContact O-CB 3.2Å; L250-A254 PolarHBondContact O-N 3.21Å; F252-A254 VanDerWaalsContact C-N 3.33Å; F252-A254 PolarHBondContact O-N 2.9Å
255V95.3Very high93.4Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-81.3-47.8171.5175.20000110.7I7 Q200 A204 F252 S253 S257 Q258I7-V255 HydrophobicContact CD1-CG2 3.96Å; Q200-V255 HydrophobicContact CB-CG1 3.89Å; A204-V255 HydrophobicContact CB-CB 4.13Å; A204-V255 HydrophobicContact CB-CG2 3.55Å; F252-V255 PolarHBondContact O-N 2.81Å; S253-V255 VanDerWaalsContact C-N 3.35Å; V255-S257 PolarHBondContact O-N 2.87Å; V255-Q258 WeakPolarHBondContact O-CB 3.34Å; V255-Q258 PolarHBondContact O-N 3.48Å
256A93.6Very high93.4Very high0 Ų040.4 Ų40.40%020%0.2CC..Hα-helixtrans-56.1-39.2178.200000112.2S201 F252 Q258 W259 A260 V263S201-A256 WeakPolarHBondContact OG-CA 3.38Å; S201-A256 VanDerWaalsContact OG-CB 3.28Å; S201-A256 WeakPolarHBondContact OG-CB 3.47Å; S201-A256 PolarHBondContact OG-N 3.32Å; F252-A256 HydrophobicContact CD1-CB 4.27Å; F252-A256 HydrophobicContact CE1-CB 4Å; F252-A256 VanDerWaalsContact O-CB 3.28Å; F252-A256 WeakPolarHBondContact O-CB 3.13Å; F252-A256 PolarHBondContact O-N 2.94Å; A256-Q258 PolarHBondContact O-N 2.92Å; A256-Q258 VanDerWaalsContact O-N 3.14Å; A256-W259 PolarHBondContact O-N 2.83Å; A256-A260 PolarHBondContact O-N 2.8Å; A256-V263 HydrophobicContact CB-CG2 3.66Å
257S92.9Very high93.3Very high42 Ų4241.6 Ų41.629%0.29421%0.206SC..Hα-helixtrans-68.6-13.6-177.7-58.90000114.5S253 V255 W259 G261 V263S253-S257 WeakPolarHBondContact O-CB 3.27Å; S253-S257 PolarHBondContact O-N 2.89Å; S253-S257 PolarHBondContact O-OG 2.85Å; V255-S257 PolarHBondContact O-N 2.87Å; S257-W259 PolarHBondContact O-N 2.89Å; S257-G261 WeakPolarHBondContact CA-O 3.41Å; S257-G261 WeakPolarHBondContact CB-O 3.37Å; S257-G261 PolarHBondContact OG-O 2.9Å; S257-V263 PolarHBondContact OG-N 3.08Å; S257-V263 VanDerWaalsContact OG-N 3.11Å
258Q87.4Confident93.1Very high94 Ų9443.8 Ų43.844%0.43922%0.222SC..Hα-helixtrans-71.3-20.4172-61.9-178.6-18.900112.1V255 A256V255-Q258 WeakPolarHBondContact O-CB 3.34Å; V255-Q258 PolarHBondContact O-N 3.48Å; A256-Q258 PolarHBondContact O-N 2.92Å; A256-Q258 VanDerWaalsContact O-N 3.14Å
259W83.9Confident93Very high143 Ų14344.6 Ų44.654%0.54223%0.228SC..Hα-helixtrans-113.7-46-175.9-56.293.4000112.4M197 A256 S257M197-W259 HydrophobicContact CB-CB 3.88Å; M197-W259 HydrophobicContact CB-CG 3.93Å; M197-W259 HydrophobicContact CG-CB 3.59Å; M197-W259 HydrophobicContact CG-CG 3.89Å; M197-W259 HydrophobicContact SD-CB 3.85Å; A256-W259 PolarHBondContact O-N 2.83Å; S257-W259 PolarHBondContact O-N 2.89Å
260A78.5Confident92.8Very high51 Ų5148.7 Ų48.742%0.42126%0.261SS..Hα-helixtrans-92.2-2.2-170.500000114.7M197 A256M197-A260 HydrophobicContact SD-CB 3.53Å; M197-A260 VanDerWaalsContact SD-CB 3.53Å; A256-A260 PolarHBondContact O-N 2.8Å
261G82.3Confident92.5Very high40 Ų4051.8 Ų51.841%0.41229%0.287SS..SBendtrans73.9-165.9-160.900000111.7S257 V263S257-G261 WeakPolarHBondContact CA-O 3.41Å; S257-G261 WeakPolarHBondContact CB-O 3.37Å; S257-G261 PolarHBondContact OG-O 2.9Å; G261-V263 PolarHBondContact O-N 3.21Å
262Q85.8Confident92.3Very high146 Ų14652.2 Ų52.268%0.68229%0.289SS*.SBendtrans-67.4108-168.9-169.5-177.922.300112.7R264Q262-R264 VanDerWaalsContact OE1-NH2 3.07Å
263V91.4Very high92Very high9 Ų958.8 Ų58.86%0.05533%0.325CS..  trans-71.2133170.9172.10000110.2A256 S257 G261 Y285A256-V263 HydrophobicContact CB-CG2 3.66Å; S257-V263 PolarHBondContact OG-N 3.08Å; S257-V263 VanDerWaalsContact OG-N 3.11Å; G261-V263 PolarHBondContact O-N 3.21Å; V263-Y285 HydrophobicContact CB-CE2 4.42Å; V263-Y285 HydrophobicContact CG1-CD1 4.22Å; V263-Y285 HydrophobicContact CG1-CD2 3.75Å; V263-Y285 HydrophobicContact CG1-CE1 4.43Å; V263-Y285 HydrophobicContact CG1-CE2 4.01Å; V263-Y285 HydrophobicContact CG1-CG 3.88Å; V263-Y285 HydrophobicContact CG2-CE1 4.34Å; V263-Y285 HydrophobicContact CG2-CE2 4.23Å
264R93.5Very high91.8Very high179 Ų17961.8 Ų61.868%0.67536%0.356SS*.  trans-124.9126.5177.7-65.6-174.5-178.6-175.70.2110.3Q262Q262-R264 VanDerWaalsContact OE1-NH2 3.07Å
265W97.4Very high91.7Very high26 Ų2662.6 Ų62.610%0.09836%0.359CS..PPolyproline II helixtrans-89.7129.1173.8-68.2105.8000110L40 F219 L228 M249 F252 A283 V284L40-W265 HydrophobicContact CD1-CB 4.13Å; L40-W265 HydrophobicContact CD1-CG 4.49Å; F219-W265 HydrophobicContact CD1-CH2 4.48Å; F219-W265 AromaticContact CE1-CH2 3.84Å; F219-W265 HydrophobicContact CE1-CH2 3.84Å; F219-W265 HydrophobicContact CE1-CZ2 4.44Å; L228-W265 HydrophobicContact CB-CZ3 4.27Å; M249-W265 HydrophobicContact CG-CD2 3.94Å; M249-W265 HydrophobicContact CG-CG 4.17Å; M249-W265 HydrophobicContact CG-CZ2 4.15Å; M249-W265 PolarHBondContact O-NE1 2.84Å; M249-W265 HydrophobicContact SD-CB 4.03Å; M249-W265 HydrophobicContact SD-CD2 3.86Å; M249-W265 HydrophobicContact SD-CE3 4.36Å; M249-W265 HydrophobicContact SD-CG 3.69Å; F252-W265 HydrophobicContact CB-CZ2 4.12Å; F252-W265 HydrophobicContact CD1-CH2 4.09Å; F252-W265 AromaticContact CD1-CZ2 3.51Å; F252-W265 HydrophobicContact CD1-CZ2 3.51Å; F252-W265 HydrophobicContact CE1-CH2 4.45Å; F252-W265 HydrophobicContact CE1-CZ2 4.21Å; F252-W265 AromaticContact CG-CZ2 3.98Å; F252-W265 HydrophobicContact CG-CZ2 3.98Å; W265-A283 HydrophobicContact CB-CB 4.37Å; W265-A283 HydrophobicContact CD2-CB 4.29Å; W265-A283 HydrophobicContact CE3-CB 3.65Å; W265-A283 HydrophobicContact CZ3-CB 4.33Å; W265-V284 WeakPolarHBondContact CA-O 3.11Å
266E97.5Very high91.6Very high106 Ų10665.3 Ų65.350%0.49538%0.377SS..EExtended strand (participates in β ladder)trans-88.1124.4161.3176.4179.5154.500108.6A283 V284 H286E266-A283 CarbonylContact O-C 3.46Å; E266-A283 WeakPolarHBondContact O-CA 3.36Å; E266-A283 WeakPolarHBondContact O-CB 3.45Å; E266-V284 HydrophobicContact CB-CG1 3.81Å; E266-V284 HydrophobicContact CG-CG1 4.34Å; E266-V284 PolarHBondContact N-O 3.43Å; E266-V284 PolarHBondContact O-N 3.16Å; E266-H286 IonicContact OE2-NE2 3.08Å
267L97.8Very high91.5Very high25 Ų2575 Ų7513%0.13142%0.422CS..EExtended strand (participates in β ladder)trans-91.4140.8-176.6-60.7-178.9000111.9L40 V41 Y85 M249 A283L40-L267 HydrophobicContact CD2-CD1 4.17Å; L40-L267 HydrophobicContact CD2-CD2 4.12Å; L40-L267 HydrophobicContact CG-CD1 4.36Å; V41-L267 HydrophobicContact CG2-CD1 3.74Å; Y85-L267 HydrophobicContact CD1-CB 4.49Å; Y85-L267 HydrophobicContact CD1-CD1 4.04Å; Y85-L267 HydrophobicContact CD2-CD1 3.77Å; Y85-L267 HydrophobicContact CE1-CB 4.05Å; Y85-L267 HydrophobicContact CE1-CD1 4.41Å; Y85-L267 HydrophobicContact CE2-CB 4.06Å; Y85-L267 HydrophobicContact CE2-CD1 4.16Å; Y85-L267 HydrophobicContact CG-CD1 3.72Å; Y85-L267 PolarHBondContact OH-O 2.82Å; M249-L267 HydrophobicContact CE-CD2 3.99Å; M249-L267 HydrophobicContact SD-CD2 3.95Å; L267-A283 HydrophobicContact CD2-CB 3.95Å
268S94.5Very high91.3Very high49 Ų4975.5 Ų75.534%0.34343%0.434SS..SBendtrans52.353.3-176.3-49.70000114.1Y85 R280 A282Y85-S268 WeakPolarHBondContact CE1-OG 3.43Å; Y85-S268 WeakPolarHBondContact OH-CB 3.49Å; Y85-S268 PolarHBondContact OH-OG 3.11Å; Y85-S268 VanDerWaalsContact OH-OG 3.14Å; S268-R280 PolarHBondContact OG-NH2 3.12Å; S268-A282 PolarHBondContact N-O 2.77Å
269P95.9Very high91.6Very high17 Ų1772.9 Ų72.911%0.1142%0.422CS..PPolyproline II helixtrans-67.8168.9176.234.5-38.9000111.1Y227 S281 V284Y227-P269 HydrophobicContact CD1-CG 4.37Å; P269-S281 WeakPolarHBondContact CG-OG 3.36Å; P269-V284 HydrophobicContact CB-CB 4.15Å; P269-V284 HydrophobicContact CB-CG1 3.55Å; P269-V284 HydrophobicContact CG-CB 3.91Å; P269-V284 HydrophobicContact CG-CG1 3.83Å
270A94.3Very high92.2Very high85 Ų8572.1 Ų72.170%0.70242%0.419SS*.PPolyproline II helixtrans-57.8143.4165.200000110.3
271A92.9Very high93Very high66 Ų6670 Ų7055%0.54540%0.401SS..PPolyproline II helixtrans-62.8134.6176.400000109.9L275A271-L275 HydrophobicContact CB-CD2 4.21Å
272P93.6Very high93.8Very high9 Ų968.1 Ų68.16%0.05838%0.382CS..PPolyproline II helixtrans-62.9152.417322.4-29.4000111.4L220 Q222 Y227 G274 L275L220-P272 HydrophobicContact CD2-CB 4.19Å; L220-P272 HydrophobicContact CD2-CG 3.73Å; Q222-P272 VanDerWaalsContact OE1-CB 3.28Å; Y227-P272 HydrophobicContact CD1-CB 4.41Å; Y227-P272 HydrophobicContact CD1-CG 3.99Å; Y227-P272 HydrophobicContact CD2-CB 4.02Å; Y227-P272 HydrophobicContact CD2-CG 3.99Å; Y227-P272 HydrophobicContact CE1-CB 4.17Å; Y227-P272 HydrophobicContact CE1-CG 4.19Å; Y227-P272 HydrophobicContact CE2-CB 3.78Å; Y227-P272 HydrophobicContact CE2-CG 4.23Å; Y227-P272 HydrophobicContact CG-CB 4.33Å; Y227-P272 HydrophobicContact CG-CG 3.86Å; P272-G274 PolarHBondContact O-N 3.4Å; P272-L275 HydrophobicContact CG-CB 4.3Å; P272-L275 WeakPolarHBondContact O-CB 3.44Å; P272-L275 PolarHBondContact O-N 2.81Å
273D91.2Very high94.4Very high138 Ų13861.2 Ų61.274%0.73835%0.35SS*.THydrogen-bonded Turntrans-58.2131.3178.7-74.7-28.8000111.3
274G91.2Very high94.7Very high64 Ų6460.9 Ų60.966%0.6635%0.348SS*.THydrogen-bonded Turntrans80.98.617800000115.2P272 P276P272-G274 PolarHBondContact O-N 3.4Å; G274-P276 WeakPolarHBondContact O-CD 3.43Å
275L94.7Very high94.8Very high26 Ų2653.4 Ų53.414%0.13632%0.32CS..PPolyproline II helixtrans-64.3124.7170.3-167.971.1000110.2W181 L220 V229 A271 P272 L279W181-L275 HydrophobicContact CE3-CD1 4.24Å; L220-L275 HydrophobicContact CD2-CD1 4.38Å; V229-L275 HydrophobicContact CG1-CD1 3.93Å; V229-L275 HydrophobicContact CG1-CD2 4.47Å; V229-L275 HydrophobicContact CG2-CD1 3.99Å; A271-L275 HydrophobicContact CB-CD2 4.21Å; P272-L275 HydrophobicContact CG-CB 4.3Å; P272-L275 WeakPolarHBondContact O-CB 3.44Å; P272-L275 PolarHBondContact O-N 2.81Å; L275-L279 HydrophobicContact CD1-CB 4.16Å; L275-L279 HydrophobicContact CD1-CD1 4.26Å; L275-L279 HydrophobicContact CD2-CB 4.1Å; L275-L279 HydrophobicContact CG-CB 3.97Å
276P94.3Very high94.5Very high57 Ų5756.8 Ų56.837%0.3734%0.337SS..PPolyproline II helixtrans-56.8146.1178.2-27.534000113.8W181 G274 L279W181-P276 VanDerWaalsContact CB-CD 3.46Å; W181-P276 HydrophobicContact CB-CG 3.89Å; W181-P276 HydrophobicContact CG-CG 4.09Å; G274-P276 WeakPolarHBondContact O-CD 3.43Å; P276-L279 HydrophobicContact CB-CD1 4.22Å; P276-L279 HydrophobicContact CB-CG 4.38Å; P276-L279 HydrophobicContact CG-CD1 4.15Å; P276-L279 WeakPolarHBondContact O-CB 3.46Å; P276-L279 PolarHBondContact O-N 3.32Å; P276-L279 VanDerWaalsContact O-N 3.16Å
277E89.7Confident94Very high204 Ų20457.1 Ų57.195%0.95334%0.339SS*.THydrogen-bonded Turntrans-58.8138.9172.7-166176.2-171.700110.8L279E277-L279 VanDerWaalsContact C-N 3.32Å
278G89Confident93.8Very high52 Ų5258.7 Ų58.754%0.53635%0.35SS..THydrogen-bonded Turntrans88-9.3-174.100000114.7
279L94.5Very high93.8Very high38 Ų3859.2 Ų59.220%0.19935%0.35CS..EExtended strand (participates in β ladder)trans-96143.5167.9-58.8-171.1000110.8W181 V229 Q231 L275 P276 E277W181-L279 HydrophobicContact CD2-CD1 3.62Å; W181-L279 HydrophobicContact CE3-CD1 4.39Å; W181-L279 HydrophobicContact CG-CD1 3.73Å; W181-L279 HydrophobicContact CZ2-CD1 3.88Å; W181-L279 VanDerWaalsContact NE1-CD1 3.29Å; V229-L279 HydrophobicContact CG1-CB 3.88Å; V229-L279 HydrophobicContact CG1-CD1 4.2Å; Q231-L279 HydrophobicContact CB-CD2 4.07Å; Q231-L279 HydrophobicContact CG-CD2 3.8Å; L275-L279 HydrophobicContact CD1-CB 4.16Å; L275-L279 HydrophobicContact CD1-CD1 4.26Å; L275-L279 HydrophobicContact CD2-CB 4.1Å; L275-L279 HydrophobicContact CG-CB 3.97Å; P276-L279 HydrophobicContact CB-CD1 4.22Å; P276-L279 HydrophobicContact CB-CG 4.38Å; P276-L279 HydrophobicContact CG-CD1 4.15Å; P276-L279 WeakPolarHBondContact O-CB 3.46Å; P276-L279 PolarHBondContact O-N 3.32Å; P276-L279 VanDerWaalsContact O-N 3.16Å; E277-L279 VanDerWaalsContact C-N 3.32Å
280R95.5Very high93.7Very high127 Ų12761.6 Ų61.648%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-118.5130.4-179.1177-176.7172.4-169.50.2110.4V229 Q230 S268 A282V229-R280 CarbonylContact C-O 3.56Å; V229-R280 WeakPolarHBondContact CA-O 3.2Å; Q230-R280 HydrophobicContact CB-CB 4.4Å; Q230-R280 PolarHBondContact N-O 3.41Å; Q230-R280 PolarHBondContact O-N 3.47Å; S268-R280 PolarHBondContact OG-NH2 3.12Å; R280-A282 PolarHBondContact O-N 3.16Å
281S96.6Very high93.7Very high6 Ų660.2 Ų60.24%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-74.1113.9164.2-164.80000109.7Y227 P269Y227-S281 WeakPolarHBondContact CD1-OG 3Å; P269-S281 WeakPolarHBondContact CG-OG 3.36Å
282A97.6Very high93.7Very high2 Ų259.8 Ų59.82%0.01733%0.331CS..EExtended strand (participates in β ladder)trans-89.8-38.5-177.300000112L228 Q230 L245 S268 R280L228-A282 HydrophobicContact CG-CB 4.39Å; L228-A282 PolarHBondContact O-N 3.08Å; Q230-A282 HydrophobicContact CB-CB 4.35Å; L245-A282 HydrophobicContact CD1-CB 3.77Å; L245-A282 HydrophobicContact CD2-CB 3.87Å; L245-A282 HydrophobicContact CG-CB 4.41Å; S268-A282 PolarHBondContact N-O 2.77Å; R280-A282 PolarHBondContact O-N 3.16Å
283A98.4Very high93.7Very high0 Ų063.2 Ų63.20%035%0.349CS..EExtended strand (participates in β ladder)trans-154.5159.917800000111.3Y227 L228 M249 W265 E266 L267Y227-A283 CarbonylContact C-O 3.57Å; Y227-A283 WeakPolarHBondContact CA-O 3.45Å; L228-A283 HydrophobicContact CB-CB 4.28Å; L228-A283 PolarHBondContact N-O 3.05Å; L228-A283 PolarHBondContact O-N 2.82Å; M249-A283 HydrophobicContact SD-CB 3.59Å; M249-A283 VanDerWaalsContact SD-CB 3.59Å; W265-A283 HydrophobicContact CB-CB 4.37Å; W265-A283 HydrophobicContact CD2-CB 4.29Å; W265-A283 HydrophobicContact CE3-CB 3.65Å; W265-A283 HydrophobicContact CZ3-CB 4.33Å; E266-A283 CarbonylContact O-C 3.46Å; E266-A283 WeakPolarHBondContact O-CA 3.36Å; E266-A283 WeakPolarHBondContact O-CB 3.45Å; L267-A283 HydrophobicContact CD2-CB 3.95Å
284V97.9Very high93.9Very high2 Ų257.9 Ų57.91%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-132.5142.517164.90000110.7I226 Y227 W265 E266 P269I226-V284 WeakPolarHBondContact O-CA 3.4Å; Y227-V284 HydrophobicContact CD1-CB 3.7Å; Y227-V284 HydrophobicContact CD1-CG2 3.65Å; Y227-V284 HydrophobicContact CD2-CG2 4.32Å; Y227-V284 HydrophobicContact CE1-CB 3.82Å; Y227-V284 HydrophobicContact CE1-CG2 3.56Å; Y227-V284 HydrophobicContact CE2-CG2 4.22Å; Y227-V284 HydrophobicContact CG-CB 4.42Å; Y227-V284 HydrophobicContact CG-CG2 4.06Å; W265-V284 WeakPolarHBondContact CA-O 3.11Å; E266-V284 HydrophobicContact CB-CG1 3.81Å; E266-V284 HydrophobicContact CG-CG1 4.34Å; E266-V284 PolarHBondContact N-O 3.43Å; E266-V284 PolarHBondContact O-N 3.16Å; P269-V284 HydrophobicContact CB-CB 4.15Å; P269-V284 HydrophobicContact CB-CG1 3.55Å; P269-V284 HydrophobicContact CG-CB 3.91Å; P269-V284 HydrophobicContact CG-CG1 3.83Å
285Y95.5Very high94.1Very high22 Ų2257.4 Ų57.49%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-115.2126.3165.7164.8-125.6000108.4S225 I226 F252 V263 M287S225-Y285 CarbonylContact C-O 3.58Å; S225-Y285 WeakPolarHBondContact CA-O 3.36Å; I226-Y285 HydrophobicContact CD1-CD1 4.13Å; I226-Y285 PolarHBondContact N-O 3.37Å; I226-Y285 PolarHBondContact O-N 3.14Å; F252-Y285 HydrophobicContact CE1-CD1 4.09Å; V263-Y285 HydrophobicContact CB-CE2 4.42Å; V263-Y285 HydrophobicContact CG1-CD1 4.22Å; V263-Y285 HydrophobicContact CG1-CD2 3.75Å; V263-Y285 HydrophobicContact CG1-CE1 4.43Å; V263-Y285 HydrophobicContact CG1-CE2 4.01Å; V263-Y285 HydrophobicContact CG1-CG 3.88Å; V263-Y285 HydrophobicContact CG2-CE1 4.34Å; V263-Y285 HydrophobicContact CG2-CE2 4.23Å; Y285-M287 HydrophobicContact CD1-CG 4.26Å; Y285-M287 HydrophobicContact CE1-CG 3.8Å
286H92.3Very high94.1Very high98 Ų9860 Ų6045%0.45431%0.308SS..EExtended strand (participates in β ladder)trans-93.8119.6173.8-59.2-64.4000109S225 E266S225-H286 PolarHBondContact OG-CE1 3.14Å; S225-H286 PolarHBondContact OG-ND1 2.72Å; E266-H286 IonicContact OE2-NE2 3.08Å
287M87.4Confident94Very high112 Ų11260.3 Ų60.355%0.55230%0.303SS*.  trans-70.90-177.3-66.4-177.9-72.500112.4L198 V221 H224 I226 Y285L198-M287 HydrophobicContact CD1-SD 4.21Å; L198-M287 HydrophobicContact CD2-SD 4.29Å; V221-M287 HydrophobicContact CG1-CE 4.29Å; H224-M287 PolarHBondContact O-N 3.23Å; I226-M287 HydrophobicContact CD1-CG 4.1Å; I226-M287 HydrophobicContact CD1-SD 3.75Å; I226-M287 HydrophobicContact CG1-CE 4.22Å; I226-M287 HydrophobicContact CG1-CG 4.2Å; I226-M287 HydrophobicContact CG1-SD 3.95Å; Y285-M287 HydrophobicContact CD1-CG 4.26Å; Y285-M287 HydrophobicContact CE1-CG 3.8Å

Retrieved 287 of 287 residues in 629 ms (Link to these results)

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