A0A087YRQ4_POEFO Loading...

NOTCH regulated ankyrin repeat protein a

Regulates independently canonical Wnt and Notch signaling by modulating LEF1 and Notch protein turnover. Stabilizes LEF1, a pivotal transcription factor in the Wnt signaling cascade, by blocking its ubiquitination. Involved in angiogenesis; involved in intersegmental vessel patterning during development.

AlphaFold DB (A0A3Q2USD7), UniProt , Accession A0A087YRQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 112 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
1M34.5Very low45.7Very low232 Ų232116.2 Ų116.2100%1.14371%0.707SS**  059.80-6316079.900106.4
2S52.4Low47.4Very low109 Ų109110.3 Ų110.376%0.76267%0.673SS**  76102.975.8-500000111.1
3Q33.1Very low48.9Very low196 Ų196103.8 Ų103.892%0.91663%0.63SS**  trans130.5126.2158.2-73.717572.400110.1
4A35.7Very low50.5Low88 Ų88109.1 Ų109.173%0.72763%0.633SS**  cis-159.1143.2-200000107
5D34.9Very low52.2Low117 Ų117106.9 Ų106.963%0.62662%0.621SS**  trans44.991.5143.8-150.2-101.6000117.7S7D5-S7 VanDerWaalsContact CG-CB 3.42Å; D5-S7 PolarHBondContact O-N 3.27Å; D5-S7 VanDerWaalsContact OD1-CA 3.3Å; D5-S7 WeakPolarHBondContact OD1-CA 3.42Å; D5-S7 WeakPolarHBondContact OD1-CB 3.48Å; D5-S7 PolarHBondContact OD1-N 3.12Å; D5-S7 VanDerWaalsContact OD1-N 3.16Å; D5-S7 PolarHBondContact OD1-OG 3.49Å; D5-S7 VanDerWaalsContact OD2-CB 3.24Å; D5-S7 WeakPolarHBondContact OD2-CB 2.96Å; D5-S7 PolarHBondContact OD2-OG 3.43Å
6V47.7Very low53.8Low150 Ų150100.2 Ų100.291%0.90958%0.583SS**  trans-75.418.1161.363.80000111.2T8V6-T8 PolarHBondContact O-N 3.47Å
7S53.8Low54.9Low74 Ų7495.5 Ų95.552%0.51755%0.554SS.*  trans-103.157.3-163.5-30.80000113.1D5D5-S7 VanDerWaalsContact CG-CB 3.42Å; D5-S7 PolarHBondContact O-N 3.27Å; D5-S7 VanDerWaalsContact OD1-CA 3.3Å; D5-S7 WeakPolarHBondContact OD1-CA 3.42Å; D5-S7 WeakPolarHBondContact OD1-CB 3.48Å; D5-S7 PolarHBondContact OD1-N 3.12Å; D5-S7 VanDerWaalsContact OD1-N 3.16Å; D5-S7 PolarHBondContact OD1-OG 3.49Å; D5-S7 VanDerWaalsContact OD2-CB 3.24Å; D5-S7 WeakPolarHBondContact OD2-CB 2.96Å; D5-S7 PolarHBondContact OD2-OG 3.43Å
8T43Very low56.1Low88 Ų8895.5 Ų95.554%0.5455%0.548SS..  trans-14359.3153.959.90000112.3V6 S10 Q13V6-T8 PolarHBondContact O-N 3.47Å; T8-S10 PolarHBondContact O-N 2.98Å; T8-Q13 PolarHBondContact O-OE1 2.68Å; T8-Q13 PolarHBondContact OG1-OE1 3.39Å
9C46.8Very low57.3Low86 Ų8690.5 Ų90.558%0.58152%0.52SS*.  trans-77.568.4157.5-95.40000110.1A11 R14C9-A11 PolarHBondContact O-N 3.31Å; C9-R14 WeakPolarHBondContact SG-CD 3.48Å; C9-R14 VanDerWaalsContact SG-CZ 3.53Å; C9-R14 PolarHBondContact SG-NE 3.49Å
10S56.7Low58.4Low66 Ų6686.1 Ų86.146%0.46249%0.494SS..  trans-72.5117.9150.6-170.80000105.6T8 P12 Q13T8-S10 PolarHBondContact O-N 2.98Å; S10-P12 WeakPolarHBondContact O-CD 3.42Å; S10-P12 VanDerWaalsContact OG-CD 3.24Å; S10-P12 WeakPolarHBondContact OG-CD 3.28Å; S10-P12 WeakPolarHBondContact OG-CG 3.48Å; S10-Q13 PolarHBondContact O-N 3.12Å
11A63.8Low59.1Low72 Ų7286.4 Ų86.460%0.59549%0.49SS*.Hα-helixtrans-35.8-42175.700000114.8C9 Q13 R14 V15C9-A11 PolarHBondContact O-N 3.31Å; A11-Q13 PolarHBondContact O-N 3.3Å; A11-R14 PolarHBondContact O-N 3.46Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 2.9Å
12P65.8Low61.2Low45 Ų4581.6 Ų81.629%0.29246%0.462SS..Hα-helixtrans-59.1-36.4174.820.2-36.2000116.1S10 V15 F16 M35S10-P12 WeakPolarHBondContact O-CD 3.42Å; S10-P12 VanDerWaalsContact OG-CD 3.24Å; S10-P12 WeakPolarHBondContact OG-CD 3.28Å; S10-P12 WeakPolarHBondContact OG-CG 3.48Å; P12-V15 PolarHBondContact O-N 3.31Å; P12-F16 WeakPolarHBondContact O-CB 3.5Å; P12-F16 PolarHBondContact O-N 3.11Å; P12-M35 HydrophobicContact CB-CE 3.76Å; P12-M35 HydrophobicContact CB-CG 4.34Å; P12-M35 HydrophobicContact CB-SD 3.32Å; P12-M35 WeakPolarHBondContact CB-SD 3.29Å; P12-M35 WeakPolarHBondContact O-CE 3.35Å
13Q67.8Low62Low26 Ų2677.4 Ų77.412%0.12144%0.436CS..Hα-helixtrans-68.6-37.9179-77.7-174.3-9.800111.9T8 S10 A11 F16 Q17 F40T8-Q13 PolarHBondContact O-OE1 2.68Å; T8-Q13 PolarHBondContact OG1-OE1 3.39Å; S10-Q13 PolarHBondContact O-N 3.12Å; A11-Q13 PolarHBondContact O-N 3.3Å; Q13-F16 PolarHBondContact O-N 3.45Å; Q13-Q17 PolarHBondContact O-N 3.12Å; Q13-F40 HydrophobicContact CG-CE2 4.44Å
14R70.6Confident63.9Low179 Ų17971.4 Ų71.468%0.67541%0.411SS*.Hα-helixtrans-63.3-46.3174.9-91.6-175.2154.9173.2-1.4112.1C9 A11 F16 Q17 E18C9-R14 WeakPolarHBondContact SG-CD 3.48Å; C9-R14 VanDerWaalsContact SG-CZ 3.53Å; C9-R14 PolarHBondContact SG-NE 3.49Å; A11-R14 PolarHBondContact O-N 3.46Å; R14-F16 VanDerWaalsContact C-N 3.28Å; R14-F16 PolarHBondContact O-N 3.33Å; R14-Q17 PolarHBondContact O-N 3.11Å; R14-E18 WeakPolarHBondContact O-CB 3.43Å; R14-E18 PolarHBondContact O-N 3.41Å
15V76.4Confident65.7Low75 Ų7569.8 Ų69.846%0.45539%0.392SS..Hα-helixtrans-61-41178.6176.70000110.7A11 P12 E18 A19 L31A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 2.9Å; P12-V15 PolarHBondContact O-N 3.31Å; V15-E18 PolarHBondContact O-N 2.98Å; V15-A19 PolarHBondContact O-N 3.11Å; V15-L31 HydrophobicContact CG1-CD1 4.12Å; V15-L31 HydrophobicContact CG1-CD2 3.83Å
16F77.3Confident67.6Low0 Ų072 Ų720%040%0.396CS..Hα-helixtrans-61.8-50.9175.5175.2-102000112.8P12 Q13 R14 E18 A19 V20 L28 L32 M35 F40 A52 L68P12-F16 WeakPolarHBondContact O-CB 3.5Å; P12-F16 PolarHBondContact O-N 3.11Å; Q13-F16 PolarHBondContact O-N 3.45Å; R14-F16 VanDerWaalsContact C-N 3.28Å; R14-F16 PolarHBondContact O-N 3.33Å; F16-E18 PolarHBondContact O-N 3.4Å; F16-A19 WeakPolarHBondContact O-CB 3.28Å; F16-A19 PolarHBondContact O-N 3.3Å; F16-V20 HydrophobicContact CD1-CG2 4.19Å; F16-V20 HydrophobicContact CE1-CG2 3.9Å; F16-V20 HydrophobicContact CE2-CG2 4.25Å; F16-V20 HydrophobicContact CZ-CG2 3.94Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 3.24Å; F16-L28 HydrophobicContact CD2-CD2 3.62Å; F16-L28 HydrophobicContact CE2-CD2 3.53Å; F16-L28 HydrophobicContact CG-CD2 4.5Å; F16-L28 HydrophobicContact CZ-CD2 4.38Å; F16-L32 HydrophobicContact CD2-CD2 4.31Å; F16-L32 HydrophobicContact CD2-CG 4.4Å; F16-L32 HydrophobicContact CE2-CD1 3.91Å; F16-L32 HydrophobicContact CE2-CD2 3.69Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.32Å; F16-M35 HydrophobicContact CB-CE 4.19Å; F16-F40 HydrophobicContact CB-CE2 3.9Å; F16-F40 HydrophobicContact CB-CZ 3.94Å; F16-F40 HydrophobicContact CD1-CE2 4.19Å; F16-F40 AromaticContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD2-CE1 4.33Å; F16-F40 HydrophobicContact CD2-CE2 4.3Å; F16-F40 AromaticContact CD2-CZ 3.57Å; F16-F40 HydrophobicContact CD2-CZ 3.57Å; F16-F40 HydrophobicContact CE1-CE1 4.34Å; F16-F40 AromaticContact CE1-CZ 3.7Å; F16-F40 HydrophobicContact CE1-CZ 3.7Å; F16-F40 HydrophobicContact CE2-CE1 4.16Å; F16-F40 AromaticContact CE2-CZ 3.8Å; F16-F40 HydrophobicContact CE2-CZ 3.8Å; F16-F40 HydrophobicContact CG-CE1 4.48Å; F16-F40 AromaticContact CG-CE2 3.9Å; F16-F40 HydrophobicContact CG-CE2 3.9Å; F16-F40 AromaticContact CG-CZ 3.4Å; F16-F40 HydrophobicContact CG-CZ 3.4Å; F16-F40 HydrophobicContact CZ-CE1 4.13Å; F16-F40 AromaticContact CZ-CZ 3.82Å; F16-F40 HydrophobicContact CZ-CZ 3.82Å; F16-A52 HydrophobicContact CE1-CB 3.47Å; F16-A52 VanDerWaalsContact CE1-CB 3.47Å; F16-A52 HydrophobicContact CZ-CB 3.92Å; F16-L68 HydrophobicContact CE1-CD2 4.48Å; F16-L68 HydrophobicContact CE2-CD2 4.33Å; F16-L68 HydrophobicContact CZ-CD2 3.56Å
17Q73.6Confident68.9Low20 Ų2068.2 Ų68.29%0.09337%0.368CS..Hα-helixtrans-62-35.8-178.7-166.165.440.700111.8Q13 R14 V20 K21Q13-Q17 PolarHBondContact O-N 3.12Å; R14-Q17 PolarHBondContact O-N 3.11Å; Q17-V20 PolarHBondContact O-N 3.03Å; Q17-K21 WeakPolarHBondContact O-CG 3.45Å; Q17-K21 PolarHBondContact O-N 2.96Å
18E76.3Confident69.9Low96 Ų9664.8 Ų64.845%0.44934%0.344SS..Hα-helixtrans-64.4-42.6173.8-172.162.4-163.600111.8R14 V15 F16 V20 K21 K22R14-E18 WeakPolarHBondContact O-CB 3.43Å; R14-E18 PolarHBondContact O-N 3.41Å; V15-E18 PolarHBondContact O-N 2.98Å; F16-E18 PolarHBondContact O-N 3.4Å; E18-V20 VanDerWaalsContact C-N 3.32Å; E18-V20 PolarHBondContact O-N 2.9Å; E18-K21 PolarHBondContact O-N 3.32Å; E18-K22 WeakPolarHBondContact O-CG 3.29Å; E18-K22 PolarHBondContact O-N 2.89Å; E18-K22 WeakPolarHBondContact OE1-CE 3.33Å
19A79.1Confident71.6Confident1 Ų164.5 Ų64.51%0.00834%0.336CS..Hα-helixtrans-64.1-36174.700000112.5V15 F16 K22 G23 E27 L28 L31V15-A19 PolarHBondContact O-N 3.11Å; F16-A19 WeakPolarHBondContact O-CB 3.28Å; F16-A19 PolarHBondContact O-N 3.3Å; A19-K22 PolarHBondContact O-N 3.03Å; A19-G23 PolarHBondContact O-N 3.43Å; A19-E27 HydrophobicContact CB-CG 4.19Å; A19-L28 HydrophobicContact CB-CD2 3.73Å; A19-L28 HydrophobicContact CB-CG 4.15Å; A19-L31 HydrophobicContact CB-CD1 3.51Å
20V78.3Confident73.1Confident2 Ų264 Ų641%0.01233%0.334CS..Hα-helixtrans-64.6-44.6173.2-178.40000110.9F16 Q17 E18 K22 G23 L28 A52 Q55 L64F16-V20 HydrophobicContact CD1-CG2 4.19Å; F16-V20 HydrophobicContact CE1-CG2 3.9Å; F16-V20 HydrophobicContact CE2-CG2 4.25Å; F16-V20 HydrophobicContact CZ-CG2 3.94Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 3.24Å; Q17-V20 PolarHBondContact O-N 3.03Å; E18-V20 VanDerWaalsContact C-N 3.32Å; E18-V20 PolarHBondContact O-N 2.9Å; V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 3.43Å; V20-G23 PolarHBondContact O-N 3.36Å; V20-G23 VanDerWaalsContact O-N 3.08Å; V20-L28 HydrophobicContact CB-CD2 4.48Å; V20-L28 HydrophobicContact CG2-CD1 4.01Å; V20-L28 HydrophobicContact CG2-CD2 3.52Å; V20-L28 HydrophobicContact CG2-CG 4.41Å; V20-A52 HydrophobicContact CG1-CB 4.22Å; V20-A52 HydrophobicContact CG2-CB 3.77Å; V20-Q55 HydrophobicContact CG1-CB 3.77Å; V20-Q55 HydrophobicContact CG1-CG 3.8Å; V20-L64 HydrophobicContact CG1-CD2 4.32Å
21K74.4Confident74Confident93 Ų9362.2 Ų62.240%0.40432%0.319SS..Hα-helixtrans-61.9-34.7176.3-77.6-174.1172.8-168.90112.9Q17 E18 G23Q17-K21 WeakPolarHBondContact O-CG 3.45Å; Q17-K21 PolarHBondContact O-N 2.96Å; E18-K21 PolarHBondContact O-N 3.32Å; K21-G23 PolarHBondContact O-N 3.41Å
22K76.8Confident74.5Confident130 Ų13058.9 Ų58.957%0.56529%0.291SS*.THydrogen-bonded Turntrans-73.7-10.8176.4-72.8177.1-177.9175.90113.5E18 A19 V20 N24E18-K22 WeakPolarHBondContact O-CG 3.29Å; E18-K22 PolarHBondContact O-N 2.89Å; E18-K22 WeakPolarHBondContact OE1-CE 3.33Å; A19-K22 PolarHBondContact O-N 3.03Å; V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 3.43Å; K22-N24 PolarHBondContact O-N 2.86Å; K22-N24 VanDerWaalsContact O-N 3.16Å
23G69.6Low74.8Confident21 Ų2162.4 Ų62.422%0.21630%0.304CS..THydrogen-bonded Turntrans6711.8-179.400000114.3A19 V20 K21 T25A19-G23 PolarHBondContact O-N 3.43Å; V20-G23 PolarHBondContact O-N 3.36Å; V20-G23 VanDerWaalsContact O-N 3.08Å; K21-G23 PolarHBondContact O-N 3.41Å; G23-T25 PolarHBondContact O-N 2.77Å
24N74.1Confident74.8Confident70 Ų7067.4 Ų67.437%0.37433%0.331SS..  trans-84.489.5-173.8-168.33.5000110.9K22 K26 E27 L28K22-N24 PolarHBondContact O-N 2.86Å; K22-N24 VanDerWaalsContact O-N 3.16Å; N24-K26 PolarHBondContact O-N 3.36Å; N24-E27 HydrophobicContact CB-CB 4.02Å; N24-E27 PolarHBondContact ND2-OE2 3.02Å; N24-E27 PolarHBondContact O-N 3.34Å; N24-E27 VanDerWaalsContact O-N 3.12Å; N24-L28 PolarHBondContact O-N 3.39Å
25T72.5Confident74.5Confident54 Ų5460 Ų6033%0.33131%0.305SS..Hα-helixtrans-56.6-32.6-177.455.30000113.6G23 H29 N61 L64G23-T25 PolarHBondContact O-N 2.77Å; T25-H29 WeakPolarHBondContact O-CB 3.31Å; T25-H29 PolarHBondContact O-N 2.98Å; T25-N61 WeakPolarHBondContact CG2-ND2 3.36Å; T25-L64 HydrophobicContact CG2-CB 4.42Å; T25-L64 HydrophobicContact CG2-CD1 4.28Å
26K75.3Confident73.7Confident165 Ų16561.4 Ų61.472%0.71731%0.314SS*.Hα-helixtrans-68.9-43.3177.7-66-178-179.11770111.9N24 L28 H29 S30N24-K26 PolarHBondContact O-N 3.36Å; K26-L28 VanDerWaalsContact C-N 3.34Å; K26-H29 PolarHBondContact O-N 2.95Å; K26-S30 PolarHBondContact O-N 3.49Å; K26-S30 PolarHBondContact O-OG 3.47Å
27E74.9Confident72.8Confident69 Ų6968.5 Ų68.532%0.32235%0.352SS..Hα-helixtrans-66.2-40.1177.6-171.5176.2179.800110.7A19 N24 S30 L31A19-E27 HydrophobicContact CB-CG 4.19Å; N24-E27 HydrophobicContact CB-CB 4.02Å; N24-E27 PolarHBondContact ND2-OE2 3.02Å; N24-E27 PolarHBondContact O-N 3.34Å; N24-E27 VanDerWaalsContact O-N 3.12Å; E27-S30 PolarHBondContact O-N 3.32Å; E27-L31 HydrophobicContact CG-CD1 4.05Å; E27-L31 VanDerWaalsContact O-CB 3.32Å; E27-L31 WeakPolarHBondContact O-CB 3.34Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.31Å; E27-L31 PolarHBondContact O-N 3.35Å
28L75.8Confident71.9Confident2 Ų271.7 Ų71.71%0.0138%0.375CS..Hα-helixtrans-63.6-41.4173.5-75.3174.4000113.3F16 A19 V20 N24 K26 L31 L32 L64F16-L28 HydrophobicContact CD2-CD2 3.62Å; F16-L28 HydrophobicContact CE2-CD2 3.53Å; F16-L28 HydrophobicContact CG-CD2 4.5Å; F16-L28 HydrophobicContact CZ-CD2 4.38Å; A19-L28 HydrophobicContact CB-CD2 3.73Å; A19-L28 HydrophobicContact CB-CG 4.15Å; V20-L28 HydrophobicContact CB-CD2 4.48Å; V20-L28 HydrophobicContact CG2-CD1 4.01Å; V20-L28 HydrophobicContact CG2-CD2 3.52Å; V20-L28 HydrophobicContact CG2-CG 4.41Å; N24-L28 PolarHBondContact O-N 3.39Å; K26-L28 VanDerWaalsContact C-N 3.34Å; L28-L31 PolarHBondContact O-N 3.26Å; L28-L32 VanDerWaalsContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.31Å; L28-L32 WeakPolarHBondContact O-CG 3.16Å; L28-L32 PolarHBondContact O-N 3.37Å; L28-L64 HydrophobicContact CD1-CD1 3.31Å; L28-L64 HydrophobicContact CD1-CD2 3.79Å; L28-L64 HydrophobicContact CD1-CG 3.52Å
29H77.1Confident71Confident82 Ų8276.9 Ų76.938%0.3840%0.4SS..Hα-helixtrans-61.9-45.7176.6-167.7-80.2000111T25 K26 Q33 L67T25-H29 WeakPolarHBondContact O-CB 3.31Å; T25-H29 PolarHBondContact O-N 2.98Å; K26-H29 PolarHBondContact O-N 2.95Å; H29-Q33 PolarHBondContact CE1-NE2 2.98Å; H29-Q33 VanDerWaalsContact CE1-NE2 3.3Å; H29-Q33 PolarHBondContact ND1-OE1 2.95Å; H29-Q33 WeakPolarHBondContact O-CB 3.5Å; H29-Q33 WeakPolarHBondContact O-CG 3.3Å; H29-Q33 PolarHBondContact O-N 3.44Å; H29-L67 HydrophobicContact CB-CD1 4.15Å
30S79.8Confident70.4Confident75 Ų7578.8 Ų78.852%0.52441%0.408SS..Hα-helixtrans-64.3-42.8176.1-62.90000112.5K26 E27 Q33 N34K26-S30 PolarHBondContact O-N 3.49Å; K26-S30 PolarHBondContact O-OG 3.47Å; E27-S30 PolarHBondContact O-N 3.32Å; S30-Q33 PolarHBondContact O-N 2.79Å; S30-N34 WeakPolarHBondContact O-CB 3.37Å; S30-N34 PolarHBondContact O-N 3.38Å
31L75.7Confident70.3Confident29 Ų2982.6 Ų82.615%0.15243%0.428CS..Hα-helixtrans-62.5-48.3177.1-80.6166.6000111V15 A19 E27 L28 Q33 N34 M35V15-L31 HydrophobicContact CG1-CD1 4.12Å; V15-L31 HydrophobicContact CG1-CD2 3.83Å; A19-L31 HydrophobicContact CB-CD1 3.51Å; E27-L31 HydrophobicContact CG-CD1 4.05Å; E27-L31 VanDerWaalsContact O-CB 3.32Å; E27-L31 WeakPolarHBondContact O-CB 3.34Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.31Å; E27-L31 PolarHBondContact O-N 3.35Å; L28-L31 PolarHBondContact O-N 3.26Å; L31-Q33 VanDerWaalsContact C-N 3.35Å; L31-Q33 PolarHBondContact O-N 3.39Å; L31-N34 PolarHBondContact O-N 3.04Å; L31-M35 WeakPolarHBondContact O-CB 3.31Å; L31-M35 PolarHBondContact O-N 3.36Å
32L73Confident70.5Confident2 Ų278.6 Ų78.61%0.0141%0.411CS..Hα-helixtrans-67.3-34.9-179.6-73.4166.6000112.4F16 L28 T36 F40 V42 L67 F71F16-L32 HydrophobicContact CD2-CD2 4.31Å; F16-L32 HydrophobicContact CD2-CG 4.4Å; F16-L32 HydrophobicContact CE2-CD1 3.91Å; F16-L32 HydrophobicContact CE2-CD2 3.69Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.32Å; L28-L32 VanDerWaalsContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.31Å; L28-L32 WeakPolarHBondContact O-CG 3.16Å; L28-L32 PolarHBondContact O-N 3.37Å; L32-T36 WeakPolarHBondContact O-CG2 3.37Å; L32-F40 HydrophobicContact CD2-CD1 3.85Å; L32-F40 HydrophobicContact CD2-CE1 3.36Å; L32-F40 HydrophobicContact CD2-CZ 4.12Å; L32-V42 HydrophobicContact CD2-CG1 4.4Å; L32-L67 HydrophobicContact CD1-CD2 3Å; L32-L67 HydrophobicContact CD1-CG 4.5Å; L32-L67 HydrophobicContact CG-CD2 4.36Å; L32-F71 HydrophobicContact CB-CD1 4.45Å; L32-F71 HydrophobicContact CB-CD2 4.28Å; L32-F71 HydrophobicContact CB-CE1 4.01Å; L32-F71 HydrophobicContact CB-CE2 3.85Å; L32-F71 HydrophobicContact CB-CZ 3.7Å; L32-F71 HydrophobicContact CD1-CD2 3.94Å; L32-F71 HydrophobicContact CD1-CE2 4.11Å; L32-F71 HydrophobicContact CD1-CG 4.46Å; L32-F71 HydrophobicContact CD2-CD1 4.44Å; L32-F71 HydrophobicContact CD2-CG 4.33Å
33Q73.5Confident70.7Confident120 Ų12074 Ų7456%0.56139%0.393SS*.Hα-helixtrans-68.4-32172-79.2-171.1-38.700113.4H29 S30 L31 T36H29-Q33 PolarHBondContact CE1-NE2 2.98Å; H29-Q33 VanDerWaalsContact CE1-NE2 3.3Å; H29-Q33 PolarHBondContact ND1-OE1 2.95Å; H29-Q33 WeakPolarHBondContact O-CB 3.5Å; H29-Q33 WeakPolarHBondContact O-CG 3.3Å; H29-Q33 PolarHBondContact O-N 3.44Å; S30-Q33 PolarHBondContact O-N 2.79Å; L31-Q33 VanDerWaalsContact C-N 3.35Å; L31-Q33 PolarHBondContact O-N 3.39Å; Q33-T36 PolarHBondContact O-OG1 3.07Å
34N67.4Low71.2Confident130 Ų13073.7 Ų73.770%0.69539%0.387SS*.Hα-helixtrans-81.8-31.3178.2-165.228.8000112S30 L31 T36S30-N34 WeakPolarHBondContact O-CB 3.37Å; S30-N34 PolarHBondContact O-N 3.38Å; L31-N34 PolarHBondContact O-N 3.04Å; N34-T36 VanDerWaalsContact C-N 3.32Å; N34-T36 PolarHBondContact O-N 3.42Å
35M64Low71.5Confident23 Ų2375.3 Ų75.311%0.11339%0.391CS..Hα-helixtrans-79.5-7.3-176.6-129.197.182.100114.5P12 F16 L31 N37 C38 F40P12-M35 HydrophobicContact CB-CE 3.76Å; P12-M35 HydrophobicContact CB-CG 4.34Å; P12-M35 HydrophobicContact CB-SD 3.32Å; P12-M35 WeakPolarHBondContact CB-SD 3.29Å; P12-M35 WeakPolarHBondContact O-CE 3.35Å; F16-M35 HydrophobicContact CB-CE 4.19Å; L31-M35 WeakPolarHBondContact O-CB 3.31Å; L31-M35 PolarHBondContact O-N 3.36Å; M35-N37 PolarHBondContact O-N 2.96Å; M35-C38 PolarHBondContact O-N 2.72Å; M35-F40 HydrophobicContact CB-CB 4.08Å; M35-F40 HydrophobicContact CB-CD2 4.24Å; M35-F40 HydrophobicContact CB-CG 4.07Å; M35-F40 HydrophobicContact CE-CD2 3.65Å; M35-F40 HydrophobicContact CE-CE2 3.53Å; M35-F40 HydrophobicContact CE-CZ 4.37Å; M35-F40 HydrophobicContact CG-CB 3.87Å; M35-F40 HydrophobicContact CG-CD2 3.62Å; M35-F40 HydrophobicContact CG-CE2 4.45Å; M35-F40 HydrophobicContact CG-CG 3.87Å; M35-F40 HydrophobicContact SD-CD2 4.4Å
36T59.3Low71.6Confident106 Ų10673.4 Ų73.465%0.6538%0.382SS*.THydrogen-bonded Turntrans-60.6-8.8176.645.90000113.9L32 Q33 N34 F71L32-T36 WeakPolarHBondContact O-CG2 3.37Å; Q33-T36 PolarHBondContact O-OG1 3.07Å; N34-T36 VanDerWaalsContact C-N 3.32Å; N34-T36 PolarHBondContact O-N 3.42Å; T36-F71 HydrophobicContact CG2-CE1 4.18Å
37N58.4Low71.5Confident149 Ų14970 Ų7080%0.79738%0.377SS*.THydrogen-bonded Turntrans-91.2-3.9177.3-15374000114.2M35M35-N37 PolarHBondContact O-N 2.96Å
38C53.7Low71.3Confident87 Ų8773 Ų7359%0.58839%0.391SS*.SBendtrans-131.3154.5176-64.10000109.8M35 F40M35-C38 PolarHBondContact O-N 2.72Å; C38-F40 VanDerWaalsContact C-N 3.26Å; C38-F40 PolarHBondContact O-N 2.96Å
39E57.6Low71.5Confident205 Ų20572.9 Ų72.996%0.95839%0.39SS*.  trans-58.887.4170.8-92.5176.486.900110.6
40F68.2Low71.8Confident40 Ų4070.7 Ų70.718%0.17538%0.38CS..  trans-96112.7179.7179.3-100.5000109.8Q13 F16 L32 M35 C38 V42Q13-F40 HydrophobicContact CG-CE2 4.44Å; F16-F40 HydrophobicContact CB-CE2 3.9Å; F16-F40 HydrophobicContact CB-CZ 3.94Å; F16-F40 HydrophobicContact CD1-CE2 4.19Å; F16-F40 AromaticContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD2-CE1 4.33Å; F16-F40 HydrophobicContact CD2-CE2 4.3Å; F16-F40 AromaticContact CD2-CZ 3.57Å; F16-F40 HydrophobicContact CD2-CZ 3.57Å; F16-F40 HydrophobicContact CE1-CE1 4.34Å; F16-F40 AromaticContact CE1-CZ 3.7Å; F16-F40 HydrophobicContact CE1-CZ 3.7Å; F16-F40 HydrophobicContact CE2-CE1 4.16Å; F16-F40 AromaticContact CE2-CZ 3.8Å; F16-F40 HydrophobicContact CE2-CZ 3.8Å; F16-F40 HydrophobicContact CG-CE1 4.48Å; F16-F40 AromaticContact CG-CE2 3.9Å; F16-F40 HydrophobicContact CG-CE2 3.9Å; F16-F40 AromaticContact CG-CZ 3.4Å; F16-F40 HydrophobicContact CG-CZ 3.4Å; F16-F40 HydrophobicContact CZ-CE1 4.13Å; F16-F40 AromaticContact CZ-CZ 3.82Å; F16-F40 HydrophobicContact CZ-CZ 3.82Å; L32-F40 HydrophobicContact CD2-CD1 3.85Å; L32-F40 HydrophobicContact CD2-CE1 3.36Å; L32-F40 HydrophobicContact CD2-CZ 4.12Å; M35-F40 HydrophobicContact CB-CB 4.08Å; M35-F40 HydrophobicContact CB-CD2 4.24Å; M35-F40 HydrophobicContact CB-CG 4.07Å; M35-F40 HydrophobicContact CE-CD2 3.65Å; M35-F40 HydrophobicContact CE-CE2 3.53Å; M35-F40 HydrophobicContact CE-CZ 4.37Å; M35-F40 HydrophobicContact CG-CB 3.87Å; M35-F40 HydrophobicContact CG-CD2 3.62Å; M35-F40 HydrophobicContact CG-CE2 4.45Å; M35-F40 HydrophobicContact CG-CG 3.87Å; M35-F40 HydrophobicContact SD-CD2 4.4Å; C38-F40 VanDerWaalsContact C-N 3.26Å; C38-F40 PolarHBondContact O-N 2.96Å; F40-V42 HydrophobicContact CD1-CG1 3.89Å; F40-V42 HydrophobicContact CE1-CB 4.36Å; F40-V42 HydrophobicContact CE1-CG1 3.53Å; F40-V42 PolarHBondContact O-N 3.19Å
41N75.8Confident72.1Confident82 Ų8267.2 Ų67.244%0.43936%0.356SS..  trans-90.4101.9177.6-1738.7000111.2N43 S44N41-N43 PolarHBondContact O-N 3.46Å; N41-N43 WeakPolarHBondContact OD1-CB 3.33Å; N41-N43 PolarHBondContact OD1-N 2.97Å; N41-S44 PolarHBondContact O-N 2.99Å; N41-S44 PolarHBondContact O-OG 2.84Å
42V77.7Confident72.5Confident9 Ų965.8 Ų65.86%0.05535%0.348CS..THydrogen-bonded Turntrans-61.1-19.8173.7-71.80000113.9L32 F40 S44 F71 A73L32-V42 HydrophobicContact CD2-CG1 4.4Å; F40-V42 HydrophobicContact CD1-CG1 3.89Å; F40-V42 HydrophobicContact CE1-CB 4.36Å; F40-V42 HydrophobicContact CE1-CG1 3.53Å; F40-V42 PolarHBondContact O-N 3.19Å; V42-S44 VanDerWaalsContact C-N 3.35Å; V42-F71 HydrophobicContact CG1-CB 3.9Å; V42-A73 HydrophobicContact CB-CB 4.46Å; V42-A73 HydrophobicContact CG2-CB 4.27Å
43N81.3Confident73.2Confident34 Ų3465.9 Ų65.918%0.18235%0.349CS..THydrogen-bonded Turntrans-94.411.5-175.9-65.2-40.9000113.2N41 F45 G72 A73 D74 L77N41-N43 PolarHBondContact O-N 3.46Å; N41-N43 WeakPolarHBondContact OD1-CB 3.33Å; N41-N43 PolarHBondContact OD1-N 2.97Å; N43-F45 PolarHBondContact O-N 3.47Å; N43-G72 PolarHBondContact ND2-O 3.05Å; N43-A73 VanDerWaalsContact OD1-CA 3.32Å; N43-A73 WeakPolarHBondContact OD1-CA 3.06Å; N43-D74 PolarHBondContact OD1-N 3.5Å; N43-L77 HydrophobicContact CB-CD1 3.53Å
44S80.3Confident74Confident14 Ų1460.2 Ų60.210%0.09832%0.322CS..  trans-62.7135.3176.7600000111.4N41 V42N41-S44 PolarHBondContact O-N 2.99Å; N41-S44 PolarHBondContact O-OG 2.84Å; V42-S44 VanDerWaalsContact C-N 3.35Å
45F79.6Confident74.9Confident105 Ų10556 Ų5646%0.46130%0.298SS..BIsolated β-bridgetrans-79.8128.9171.8-66.3-83.8000110.2N43 G49 T51 L77 A78N43-F45 PolarHBondContact O-N 3.47Å; F45-G49 WeakPolarHBondContact CD1-O 3.32Å; F45-T51 HydrophobicContact CD1-CG2 3.75Å; F45-T51 HydrophobicContact CE1-CG2 3.72Å; F45-T51 HydrophobicContact CG-CG2 4.31Å; F45-T51 HydrophobicContact CZ-CG2 4.25Å; F45-L77 HydrophobicContact CZ-CD2 4.33Å; F45-A78 WeakPolarHBondContact CE1-O 3.45Å
46G76.1Confident76Confident13 Ų1355 Ų5513%0.13429%0.293CS..  trans-70.7177.6168.900000112.6E48 G49 Q50G46-E48 PolarHBondContact O-N 3.39Å; G46-G49 PolarHBondContact O-N 3.08Å; G46-Q50 PolarHBondContact N-O 3.39Å
47P71.9Confident77.4Confident93 Ų9349.9 Ų49.960%0.60426%0.262SS*.THydrogen-bonded Turntrans-58.8-31.4-178.823.1-33.4000113.3G49P47-G49 PolarHBondContact O-N 3.24Å
48E72.3Confident78.8Confident133 Ų13346.3 Ų46.362%0.62124%0.242SC*.THydrogen-bonded Turntrans-79.54.4176.7-55.3-54.5140.900113.3G46 Q50G46-E48 PolarHBondContact O-N 3.39Å; E48-Q50 HydrophobicContact CB-CG 4.41Å; E48-Q50 PolarHBondContact O-N 3Å
49G79.5Confident80.3Confident0 Ų046.1 Ų46.10%024%0.235CC..SBendtrans7020.6-176.100000114.2F45 G46 P47 N79 R80F45-G49 WeakPolarHBondContact CD1-O 3.32Å; G46-G49 PolarHBondContact O-N 3.08Å; P47-G49 PolarHBondContact O-N 3.24Å; G49-N79 WeakPolarHBondContact O-CA 3.49Å; G49-N79 WeakPolarHBondContact O-CB 3.45Å; G49-R80 PolarHBondContact O-N 3.09Å; G49-R80 VanDerWaalsContact O-N 3.1Å
50Q82Confident81.8Confident36 Ų3637.7 Ų37.717%0.16820%0.203CC..  trans-110.4140.2177.3-65.1-175.6-3.500109.6G46 E48 H54 I58 N79G46-Q50 PolarHBondContact N-O 3.39Å; E48-Q50 HydrophobicContact CB-CG 4.41Å; E48-Q50 PolarHBondContact O-N 3Å; Q50-H54 HydrophobicContact CB-CB 4.07Å; Q50-H54 HydrophobicContact CG-CB 4.49Å; Q50-I58 VanDerWaalsContact OE1-CD1 3.29Å; Q50-N79 HydrophobicContact CG-CB 4.41Å
51T86.4Confident82.7Confident1 Ų137.2 Ų37.21%0.00620%0.203CC..BIsolated β-bridgetrans-82.6166.3170.870.70000110.5F45 L53 H54 Q55 L77F45-T51 HydrophobicContact CD1-CG2 3.75Å; F45-T51 HydrophobicContact CE1-CG2 3.72Å; F45-T51 HydrophobicContact CG-CG2 4.31Å; F45-T51 HydrophobicContact CZ-CG2 4.25Å; T51-L53 PolarHBondContact O-N 3.41Å; T51-L53 PolarHBondContact OG1-N 3.34Å; T51-H54 PolarHBondContact N-ND1 3.21Å; T51-H54 WeakPolarHBondContact O-CB 3.38Å; T51-H54 PolarHBondContact O-N 3.22Å; T51-H54 PolarHBondContact OG1-CE1 3.46Å; T51-H54 PolarHBondContact OG1-N 3.38Å; T51-H54 PolarHBondContact OG1-ND1 3.33Å; T51-Q55 PolarHBondContact O-N 2.65Å; T51-Q55 VanDerWaalsContact O-N 3.17Å; T51-L77 HydrophobicContact CG2-CD1 4.41Å
52A84.8Confident83.3Confident0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-53.5-34.4171.900000113F16 V20 Q55 S56 L68F16-A52 HydrophobicContact CE1-CB 3.47Å; F16-A52 VanDerWaalsContact CE1-CB 3.47Å; F16-A52 HydrophobicContact CZ-CB 3.92Å; V20-A52 HydrophobicContact CG1-CB 4.22Å; V20-A52 HydrophobicContact CG2-CB 3.77Å; A52-Q55 PolarHBondContact O-N 3.08Å; A52-S56 WeakPolarHBondContact O-CB 3.38Å; A52-S56 PolarHBondContact O-N 3.26Å; A52-L68 VanDerWaalsContact C-CD1 3.43Å; A52-L68 HydrophobicContact CB-CD1 3.9Å; A52-L68 HydrophobicContact CB-CD2 4.04Å; A52-L68 WeakPolarHBondContact O-CD1 3.32Å
53L88.3Confident83.8Confident3 Ų340.2 Ų40.22%0.01622%0.215CC..Hα-helixtrans-64.8-44.7176.8-17071.9000111.2T51 Q55 S56 V57 V65 L68 V69 I75 A85T51-L53 PolarHBondContact O-N 3.41Å; T51-L53 PolarHBondContact OG1-N 3.34Å; L53-Q55 PolarHBondContact O-N 3.01Å; L53-S56 PolarHBondContact O-N 3.12Å; L53-S56 PolarHBondContact O-OG 3.08Å; L53-V57 VanDerWaalsContact O-CG2 3.25Å; L53-V57 WeakPolarHBondContact O-CG2 3.25Å; L53-V57 PolarHBondContact O-N 2.99Å; L53-V57 VanDerWaalsContact O-N 3.08Å; L53-V65 HydrophobicContact CD1-CG1 4.09Å; L53-L68 HydrophobicContact CB-CD1 4.29Å; L53-L68 HydrophobicContact CD1-CB 4.14Å; L53-L68 HydrophobicContact CD1-CD1 4.23Å; L53-V69 HydrophobicContact CD1-CG2 4.05Å; L53-I75 HydrophobicContact CD2-CB 4.24Å; L53-I75 HydrophobicContact CD2-CG2 3.91Å; L53-A85 HydrophobicContact CD2-CB 3.76Å; L53-A85 HydrophobicContact CG-CB 4.09Å
54H88.6Confident84Confident1 Ų138.8 Ų38.81%0.00521%0.207CC..Hα-helixtrans-59.4-47.2176.5-64.594.2000111.2Q50 T51 S56 V57 I58 L77 N79 W83 I88Q50-H54 HydrophobicContact CB-CB 4.07Å; Q50-H54 HydrophobicContact CG-CB 4.49Å; T51-H54 PolarHBondContact N-ND1 3.21Å; T51-H54 WeakPolarHBondContact O-CB 3.38Å; T51-H54 PolarHBondContact O-N 3.22Å; T51-H54 PolarHBondContact OG1-CE1 3.46Å; T51-H54 PolarHBondContact OG1-N 3.38Å; T51-H54 PolarHBondContact OG1-ND1 3.33Å; H54-S56 VanDerWaalsContact C-N 3.32Å; H54-S56 PolarHBondContact O-N 3.44Å; H54-V57 PolarHBondContact O-N 2.93Å; H54-V57 VanDerWaalsContact O-N 3.16Å; H54-I58 VanDerWaalsContact O-CG1 3.3Å; H54-I58 WeakPolarHBondContact O-CG1 3.38Å; H54-I58 PolarHBondContact O-N 3.42Å; H54-L77 PolarHBondContact CE1-O 2.94Å; H54-L77 PolarHBondContact NE2-O 3.31Å; H54-N79 PolarHBondContact NE2-N 3.12Å; H54-W83 PolarHBondContact NE2-O 2.78Å; H54-W83 VanDerWaalsContact NE2-O 3.12Å; H54-I88 HydrophobicContact CB-CD1 3.92Å
55Q86.6Confident84.4Confident42 Ų4238.1 Ų38.120%0.19620%0.203CC..Hα-helixtrans-60.2-42.1178.1-171.868.355.900112V20 T51 A52 L53 V57 I58 D59V20-Q55 HydrophobicContact CG1-CB 3.77Å; V20-Q55 HydrophobicContact CG1-CG 3.8Å; T51-Q55 PolarHBondContact O-N 2.65Å; T51-Q55 VanDerWaalsContact O-N 3.17Å; A52-Q55 PolarHBondContact O-N 3.08Å; L53-Q55 PolarHBondContact O-N 3.01Å; Q55-V57 VanDerWaalsContact C-N 3.25Å; Q55-V57 PolarHBondContact O-N 3.2Å; Q55-I58 PolarHBondContact O-N 3.4Å; Q55-D59 WeakPolarHBondContact O-CB 3.45Å; Q55-D59 PolarHBondContact O-N 3.18Å
56S87Confident84.8Confident1 Ų136.4 Ų36.41%0.00720%0.195CC..Hα-helixtrans-62.6-33.2178.175.90000113.4A52 L53 H54 G60 N61 V65A52-S56 WeakPolarHBondContact O-CB 3.38Å; A52-S56 PolarHBondContact O-N 3.26Å; L53-S56 PolarHBondContact O-N 3.12Å; L53-S56 PolarHBondContact O-OG 3.08Å; H54-S56 VanDerWaalsContact C-N 3.32Å; H54-S56 PolarHBondContact O-N 3.44Å; S56-G60 PolarHBondContact O-N 2.98Å; S56-N61 PolarHBondContact O-N 3.35Å; S56-V65 WeakPolarHBondContact OG-CG2 3.42Å
57V89.9Confident85.2Confident0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-76.4-40.2177175.80000110.8L53 H54 Q55 D59 G60 V65 A85 I88 A89 H94 I97 L101L53-V57 VanDerWaalsContact O-CG2 3.25Å; L53-V57 WeakPolarHBondContact O-CG2 3.25Å; L53-V57 PolarHBondContact O-N 2.99Å; L53-V57 VanDerWaalsContact O-N 3.08Å; H54-V57 PolarHBondContact O-N 2.93Å; H54-V57 VanDerWaalsContact O-N 3.16Å; Q55-V57 VanDerWaalsContact C-N 3.25Å; Q55-V57 PolarHBondContact O-N 3.2Å; V57-D59 VanDerWaalsContact C-N 3.25Å; V57-D59 PolarHBondContact O-N 3.26Å; V57-G60 PolarHBondContact O-N 3.31Å; V57-V65 HydrophobicContact CG2-CG2 3.93Å; V57-A85 HydrophobicContact CG2-CB 4.15Å; V57-I88 HydrophobicContact CB-CG2 4.35Å; V57-I88 HydrophobicContact CG1-CB 3.93Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; V57-A89 VanDerWaalsContact CG1-CA 3.42Å; V57-A89 HydrophobicContact CG1-CB 3.49Å; V57-A89 VanDerWaalsContact CG1-CB 3.49Å; V57-A89 VanDerWaalsContact CG1-N 3.29Å; V57-H94 PolarHBondContact O-CD2 3.29Å; V57-H94 PolarHBondContact O-NE2 3.47Å; V57-I97 HydrophobicContact CG1-CG2 4.26Å; V57-I97 HydrophobicContact CG2-CG2 3.95Å; V57-L101 HydrophobicContact CG2-CD1 4.45Å
58I87.8Confident85.8Confident73 Ų7332.9 Ų32.937%0.37417%0.168SC..Hα-helixtrans-59.6-40.1174.3-66.4164000110.6Q50 H54 Q55 G60 I88Q50-I58 VanDerWaalsContact OE1-CD1 3.29Å; H54-I58 VanDerWaalsContact O-CG1 3.3Å; H54-I58 WeakPolarHBondContact O-CG1 3.38Å; H54-I58 PolarHBondContact O-N 3.42Å; Q55-I58 PolarHBondContact O-N 3.4Å; I58-G60 PolarHBondContact O-N 3.18Å; I58-I88 HydrophobicContact CD1-CD1 4.37Å; I58-I88 HydrophobicContact CG1-CD1 4.27Å; I58-I88 HydrophobicContact CG1-CG2 3.55Å
59D85.8Confident86.5Confident83 Ų8327.7 Ų27.744%0.44415%0.145SC..THydrogen-bonded Turntrans-70.1-18.5177.5-158.1-79.5000112.3Q55 V57 N61Q55-D59 WeakPolarHBondContact O-CB 3.45Å; Q55-D59 PolarHBondContact O-N 3.18Å; V57-D59 VanDerWaalsContact C-N 3.25Å; V57-D59 PolarHBondContact O-N 3.26Å; D59-N61 HydrophobicContact CB-CB 4.27Å; D59-N61 PolarHBondContact O-N 3.48Å
60G87.7Confident86.8Confident28 Ų2836.2 Ų36.229%0.28918%0.182SC..THydrogen-bonded Turntrans72.918.4-17300000113.2S56 V57 I58 L62S56-G60 PolarHBondContact O-N 2.98Å; V57-G60 PolarHBondContact O-N 3.31Å; I58-G60 PolarHBondContact O-N 3.18Å; G60-L62 PolarHBondContact O-N 3.37Å
61N87.1Confident86.6Confident31 Ų3138 Ų3817%0.16619%0.189CC..  trans-90.189.2-173.6-165.4-28.1000112T25 S56 D59 E63 L64 V65T25-N61 WeakPolarHBondContact CG2-ND2 3.36Å; S56-N61 PolarHBondContact O-N 3.35Å; D59-N61 HydrophobicContact CB-CB 4.27Å; D59-N61 PolarHBondContact O-N 3.48Å; N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 3.21Å; N61-E63 PolarHBondContact OD1-N 3.37Å; N61-L64 HydrophobicContact CB-CB 3.98Å; N61-L64 WeakPolarHBondContact O-CB 3.31Å; N61-L64 PolarHBondContact O-N 3.04Å; N61-L64 PolarHBondContact OD1-N 3.36Å; N61-V65 WeakPolarHBondContact O-CG2 3.42Å; N61-V65 PolarHBondContact O-N 2.82Å; N61-V65 VanDerWaalsContact O-N 3.08Å
62L88.5Confident86.4Confident40 Ų4040.2 Ų40.221%0.20921%0.212CC..Hα-helixtrans-57.4-38.8-179.1178.765.6000113.6G60 L64 V65 K66 D96 I97 Y100G60-L62 PolarHBondContact O-N 3.37Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.47Å; L62-V65 WeakPolarHBondContact O-CB 3.18Å; L62-V65 PolarHBondContact O-N 2.86Å; L62-K66 HydrophobicContact CD1-CG 4.45Å; L62-K66 HydrophobicContact CG-CD 4.32Å; L62-K66 WeakPolarHBondContact O-CG 3.44Å; L62-K66 PolarHBondContact O-N 3.19Å; L62-D96 HydrophobicContact CD2-CB 4.06Å; L62-I97 HydrophobicContact CB-CG1 4.19Å; L62-I97 HydrophobicContact CD1-CG1 4Å; L62-Y100 HydrophobicContact CD1-CG 4.4Å
63E88.1Confident86.4Confident113 Ų11340.7 Ų40.753%0.52822%0.216SC..Hα-helixtrans-65.7-39.1-178.9-67.6-56.6117.400111N61 K66 L67N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 3.21Å; N61-E63 PolarHBondContact OD1-N 3.37Å; E63-K66 PolarHBondContact O-N 2.97Å; E63-K66 IonicContact OE1-NZ 2.77Å; E63-K66 PolarHBondContact OE1-NZ 2.87Å; E63-L67 VanDerWaalsContact O-CB 3.31Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 PolarHBondContact O-N 3.46Å
64L85.1Confident86.3Confident5 Ų543.7 Ų43.73%0.02623%0.232CC..Hα-helixtrans-66.3-42.8175.5-152.3157.1000111V20 T25 L28 N61 L62 K66 L67 L68V20-L64 HydrophobicContact CG1-CD2 4.32Å; T25-L64 HydrophobicContact CG2-CB 4.42Å; T25-L64 HydrophobicContact CG2-CD1 4.28Å; L28-L64 HydrophobicContact CD1-CD1 3.31Å; L28-L64 HydrophobicContact CD1-CD2 3.79Å; L28-L64 HydrophobicContact CD1-CG 3.52Å; N61-L64 HydrophobicContact CB-CB 3.98Å; N61-L64 WeakPolarHBondContact O-CB 3.31Å; N61-L64 PolarHBondContact O-N 3.04Å; N61-L64 PolarHBondContact OD1-N 3.36Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.47Å; L64-K66 PolarHBondContact O-N 3.37Å; L64-L67 PolarHBondContact O-N 3.16Å; L64-L68 HydrophobicContact CD2-CD1 3.49Å; L64-L68 VanDerWaalsContact CD2-CD1 3.49Å; L64-L68 HydrophobicContact CD2-CG 3.87Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.5Å; L64-L68 PolarHBondContact O-N 3.4Å
65V88.6Confident86.1Confident0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-56.9-50.7173.8172.50000111.2L53 S56 V57 N61 L62 L67 L68 V69 I97 Y100 L101L53-V65 HydrophobicContact CD1-CG1 4.09Å; S56-V65 WeakPolarHBondContact OG-CG2 3.42Å; V57-V65 HydrophobicContact CG2-CG2 3.93Å; N61-V65 WeakPolarHBondContact O-CG2 3.42Å; N61-V65 PolarHBondContact O-N 2.82Å; N61-V65 VanDerWaalsContact O-N 3.08Å; L62-V65 WeakPolarHBondContact O-CB 3.18Å; L62-V65 PolarHBondContact O-N 2.86Å; V65-L67 VanDerWaalsContact C-N 3.27Å; V65-L67 PolarHBondContact O-N 3.19Å; V65-L68 PolarHBondContact O-N 3.29Å; V65-V69 HydrophobicContact CG1-CG2 4.45Å; V65-V69 VanDerWaalsContact O-CG2 3.31Å; V65-V69 WeakPolarHBondContact O-CG2 3.37Å; V65-V69 PolarHBondContact O-N 2.91Å; V65-I97 HydrophobicContact CG1-CG2 4.37Å; V65-I97 HydrophobicContact CG2-CD1 4.26Å; V65-I97 HydrophobicContact CG2-CG2 4.08Å; V65-Y100 HydrophobicContact CG1-CD1 3.96Å; V65-Y100 HydrophobicContact CG1-CE1 4.26Å; V65-L101 HydrophobicContact CG1-CD2 4.2Å
66K88.1Confident86Confident69 Ų6953 Ų5330%0.327%0.268SS..Hα-helixtrans-58.4-42.4179.1-73.5171.5-176.9163.50111.5L62 E63 L64 K70 Y100L62-K66 HydrophobicContact CD1-CG 4.45Å; L62-K66 HydrophobicContact CG-CD 4.32Å; L62-K66 WeakPolarHBondContact O-CG 3.44Å; L62-K66 PolarHBondContact O-N 3.19Å; E63-K66 PolarHBondContact O-N 2.97Å; E63-K66 IonicContact OE1-NZ 2.77Å; E63-K66 PolarHBondContact OE1-NZ 2.87Å; L64-K66 PolarHBondContact O-N 3.37Å; K66-K70 WeakPolarHBondContact O-CB 3.4Å; K66-K70 PolarHBondContact O-N 3.44Å; K66-Y100 HydrophobicContact CB-CE1 4.5Å; K66-Y100 HydrophobicContact CG-CD1 4.42Å; K66-Y100 HydrophobicContact CG-CD2 4.16Å; K66-Y100 HydrophobicContact CG-CE1 4.02Å; K66-Y100 HydrophobicContact CG-CE2 3.72Å; K66-Y100 HydrophobicContact CG-CG 4.48Å
67L85.6Confident85.8Confident31 Ų3155.1 Ų55.116%0.16228%0.278CS..Hα-helixtrans-64.9-50.8-179.1-161.7158.2000110H29 L32 E63 L64 V65 V69 K70 F71H29-L67 HydrophobicContact CB-CD1 4.15Å; L32-L67 HydrophobicContact CD1-CD2 3Å; L32-L67 HydrophobicContact CD1-CG 4.5Å; L32-L67 HydrophobicContact CG-CD2 4.36Å; E63-L67 VanDerWaalsContact O-CB 3.31Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 PolarHBondContact O-N 3.46Å; L64-L67 PolarHBondContact O-N 3.16Å; V65-L67 VanDerWaalsContact C-N 3.27Å; V65-L67 PolarHBondContact O-N 3.19Å; L67-V69 PolarHBondContact O-N 3.38Å; L67-K70 WeakPolarHBondContact O-CB 3.32Å; L67-K70 PolarHBondContact O-N 3.01Å; L67-K70 VanDerWaalsContact O-N 3.11Å; L67-F71 HydrophobicContact CD2-CD2 3.69Å; L67-F71 HydrophobicContact CD2-CE2 3.7Å; L67-F71 HydrophobicContact CG-CD2 4.43Å; L67-F71 HydrophobicContact CG-CE2 4.28Å; L67-F71 VanDerWaalsContact O-CD2 3.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.31Å; L67-F71 PolarHBondContact O-N 3.37Å; L67-F71 VanDerWaalsContact O-N 3.11Å
68L85.2Confident85.7Confident1 Ų157.3 Ų57.31%0.00530%0.296CS..Hα-helixtrans-57.7-45.6176.9-68.2176.4000112.6F16 A52 L53 L64 V65 K70 F71 G72 A73F16-L68 HydrophobicContact CE1-CD2 4.48Å; F16-L68 HydrophobicContact CE2-CD2 4.33Å; F16-L68 HydrophobicContact CZ-CD2 3.56Å; A52-L68 VanDerWaalsContact C-CD1 3.43Å; A52-L68 HydrophobicContact CB-CD1 3.9Å; A52-L68 HydrophobicContact CB-CD2 4.04Å; A52-L68 WeakPolarHBondContact O-CD1 3.32Å; L53-L68 HydrophobicContact CB-CD1 4.29Å; L53-L68 HydrophobicContact CD1-CB 4.14Å; L53-L68 HydrophobicContact CD1-CD1 4.23Å; L64-L68 HydrophobicContact CD2-CD1 3.49Å; L64-L68 VanDerWaalsContact CD2-CD1 3.49Å; L64-L68 HydrophobicContact CD2-CG 3.87Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.5Å; L64-L68 PolarHBondContact O-N 3.4Å; V65-L68 PolarHBondContact O-N 3.29Å; L68-K70 VanDerWaalsContact C-N 3.3Å; L68-K70 PolarHBondContact O-N 3.2Å; L68-F71 CarbonylContact O-C 3.52Å; L68-F71 PolarHBondContact O-N 3.23Å; L68-F71 VanDerWaalsContact O-N 3.12Å; L68-G72 PolarHBondContact O-N 3.25Å; L68-A73 VanDerWaalsContact C-CB 3.46Å; L68-A73 HydrophobicContact CB-CB 3.86Å; L68-A73 WeakPolarHBondContact O-CB 3.24Å; L68-A73 PolarHBondContact O-N 3.43Å
69V86.8Confident85.5Confident23 Ų2354.3 Ų54.314%0.13928%0.281CS..Hα-helixtrans-63.5-36.5177.5173.10000111.5L53 V65 L67 F71 G72 I75 Y100 K104L53-V69 HydrophobicContact CD1-CG2 4.05Å; V65-V69 HydrophobicContact CG1-CG2 4.45Å; V65-V69 VanDerWaalsContact O-CG2 3.31Å; V65-V69 WeakPolarHBondContact O-CG2 3.37Å; V65-V69 PolarHBondContact O-N 2.91Å; L67-V69 PolarHBondContact O-N 3.38Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.19Å; V69-G72 PolarHBondContact O-N 2.94Å; V69-G72 VanDerWaalsContact O-N 3.11Å; V69-I75 HydrophobicContact CG2-CG2 3.69Å; V69-Y100 HydrophobicContact CB-CE1 4.15Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.14Å; V69-K104 HydrophobicContact CG1-CD 4.22Å; V69-K104 HydrophobicContact CG1-CG 4.15Å
70K84.3Confident85.4Confident179 Ų17959.9 Ų59.978%0.77830%0.296SS*.Hα-helixtrans-63.5-32.3174.8-174.7178.7178.3-178.30112.4K66 L67 L68 G72K66-K70 WeakPolarHBondContact O-CB 3.4Å; K66-K70 PolarHBondContact O-N 3.44Å; L67-K70 WeakPolarHBondContact O-CB 3.32Å; L67-K70 PolarHBondContact O-N 3.01Å; L67-K70 VanDerWaalsContact O-N 3.11Å; L68-K70 VanDerWaalsContact C-N 3.3Å; L68-K70 PolarHBondContact O-N 3.2Å; K70-G72 VanDerWaalsContact C-N 3.28Å
71F79.3Confident85.3Confident74 Ų7465.4 Ų65.433%0.32531%0.314SS..THydrogen-bonded Turntrans-87.211.7175.2-78.1-86000113.7L32 T36 V42 L67 L68 V69L32-F71 HydrophobicContact CB-CD1 4.45Å; L32-F71 HydrophobicContact CB-CD2 4.28Å; L32-F71 HydrophobicContact CB-CE1 4.01Å; L32-F71 HydrophobicContact CB-CE2 3.85Å; L32-F71 HydrophobicContact CB-CZ 3.7Å; L32-F71 HydrophobicContact CD1-CD2 3.94Å; L32-F71 HydrophobicContact CD1-CE2 4.11Å; L32-F71 HydrophobicContact CD1-CG 4.46Å; L32-F71 HydrophobicContact CD2-CD1 4.44Å; L32-F71 HydrophobicContact CD2-CG 4.33Å; T36-F71 HydrophobicContact CG2-CE1 4.18Å; V42-F71 HydrophobicContact CG1-CB 3.9Å; L67-F71 HydrophobicContact CD2-CD2 3.69Å; L67-F71 HydrophobicContact CD2-CE2 3.7Å; L67-F71 HydrophobicContact CG-CD2 4.43Å; L67-F71 HydrophobicContact CG-CE2 4.28Å; L67-F71 VanDerWaalsContact O-CD2 3.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.31Å; L67-F71 PolarHBondContact O-N 3.37Å; L67-F71 VanDerWaalsContact O-N 3.11Å; L68-F71 CarbonylContact O-C 3.52Å; L68-F71 PolarHBondContact O-N 3.23Å; L68-F71 VanDerWaalsContact O-N 3.12Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.19Å
72G81.4Confident85.2Confident47 Ų4766.1 Ų66.149%0.48533%0.329SS..THydrogen-bonded Turntrans90.121.317400000115N43 L68 V69 K70 D74N43-G72 PolarHBondContact ND2-O 3.05Å; L68-G72 PolarHBondContact O-N 3.25Å; V69-G72 PolarHBondContact O-N 2.94Å; V69-G72 VanDerWaalsContact O-N 3.11Å; K70-G72 VanDerWaalsContact C-N 3.28Å; G72-D74 PolarHBondContact O-N 3.01Å
73A85.2Confident85.2Confident10 Ų1069.1 Ų69.18%0.08334%0.338CS..  trans-63.5129.717300000110.5V42 N43 L68 I75V42-A73 HydrophobicContact CB-CB 4.46Å; V42-A73 HydrophobicContact CG2-CB 4.27Å; N43-A73 VanDerWaalsContact OD1-CA 3.32Å; N43-A73 WeakPolarHBondContact OD1-CA 3.06Å; L68-A73 VanDerWaalsContact C-CB 3.46Å; L68-A73 HydrophobicContact CB-CB 3.86Å; L68-A73 WeakPolarHBondContact O-CB 3.24Å; L68-A73 PolarHBondContact O-N 3.43Å; A73-I75 PolarHBondContact O-N 3.32Å
74D85.1Confident85.2Confident67 Ų6764.7 Ų64.736%0.35832%0.319SS..  trans-83.3111.9179.4-173.6-6.6000109.8N43 G72 R76 L77N43-D74 PolarHBondContact OD1-N 3.5Å; G72-D74 PolarHBondContact O-N 3.01Å; D74-R76 PolarHBondContact O-N 3.38Å; D74-R76 WeakPolarHBondContact OD1-CB 3.4Å; D74-R76 PolarHBondContact OD1-N 2.98Å; D74-L77 HydrophobicContact CB-CD1 3.72Å; D74-L77 HydrophobicContact CB-CG 3.85Å; D74-L77 PolarHBondContact O-N 3.16Å
75I86.1Confident85.4Confident28 Ų2864.4 Ų64.414%0.14432%0.318CS..THydrogen-bonded Turntrans-71.2-14.3-18064.5175.6000113.3L53 V69 A73 L101 K104 A105L53-I75 HydrophobicContact CD2-CB 4.24Å; L53-I75 HydrophobicContact CD2-CG2 3.91Å; V69-I75 HydrophobicContact CG2-CG2 3.69Å; A73-I75 PolarHBondContact O-N 3.32Å; I75-L101 HydrophobicContact CB-CD2 4.03Å; I75-L101 HydrophobicContact CG2-CD2 3.6Å; I75-K104 HydrophobicContact CD1-CB 4.12Å; I75-A105 HydrophobicContact CD1-CB 3.76Å
76R82.7Confident85.4Confident211 Ų21167.4 Ų67.480%0.79633%0.333SS*.THydrogen-bonded Turntrans-91.6-9.7-178.8-58.8-179.863.9-163.8-2112.8D74 A78D74-R76 PolarHBondContact O-N 3.38Å; D74-R76 WeakPolarHBondContact OD1-CB 3.4Å; D74-R76 PolarHBondContact OD1-N 2.98Å; R76-A78 PolarHBondContact O-N 2.83Å
77L84.4Confident85.5Confident44 Ų4469.1 Ų69.123%0.2334%0.342CS..  trans-61.8131.7176.9-75.3168.2000110N43 F45 T51 H54 D74N43-L77 HydrophobicContact CB-CD1 3.53Å; F45-L77 HydrophobicContact CZ-CD2 4.33Å; T51-L77 HydrophobicContact CG2-CD1 4.41Å; H54-L77 PolarHBondContact CE1-O 2.94Å; H54-L77 PolarHBondContact NE2-O 3.31Å; D74-L77 HydrophobicContact CB-CD1 3.72Å; D74-L77 HydrophobicContact CB-CG 3.85Å; D74-L77 PolarHBondContact O-N 3.16Å
78A86Confident85.7Confident46 Ų4668.5 Ų68.538%0.3834%0.339SS..BIsolated β-bridgetrans-92.8141.4170.300000109.6F45 R76 W83F45-A78 WeakPolarHBondContact CE1-O 3.45Å; R76-A78 PolarHBondContact O-N 2.83Å; A78-W83 CarbonylContact C-O 3.58Å; A78-W83 WeakPolarHBondContact CA-O 3.49Å
79N85Confident85.9Confident10 Ų1068.4 Ų68.45%0.05334%0.338CS..  trans-68.5178.5168.576.7-2.5000110.9G49 Q50 H54 E81 G82 W83G49-N79 WeakPolarHBondContact O-CA 3.49Å; G49-N79 WeakPolarHBondContact O-CB 3.45Å; Q50-N79 HydrophobicContact CG-CB 4.41Å; H54-N79 PolarHBondContact NE2-N 3.12Å; N79-E81 PolarHBondContact O-N 2.82Å; N79-E81 VanDerWaalsContact O-N 3.09Å; N79-E81 WeakPolarHBondContact OD1-CA 3.42Å; N79-E81 WeakPolarHBondContact OD1-CB 3.38Å; N79-E81 PolarHBondContact OD1-N 2.96Å; N79-G82 PolarHBondContact O-N 3.47Å; N79-G82 PolarHBondContact OD1-N 3.5Å; N79-G82 VanDerWaalsContact OD1-N 3.16Å; N79-W83 PolarHBondContact N-O 3.05Å; N79-W83 WeakPolarHBondContact OD1-CA 3.37Å; N79-W83 WeakPolarHBondContact OD1-CB 3.49Å; N79-W83 PolarHBondContact OD1-N 3.27Å; N79-W83 PolarHBondContact OD1-O 3.5Å
80R83.8Confident86.1Confident200 Ų20070.4 Ų70.476%0.75536%0.357SS*.THydrogen-bonded Turntrans-56.3-24.7177.5-84.7-175.6-172.6-168.71.7114.9G49 G82G49-R80 PolarHBondContact O-N 3.09Å; G49-R80 VanDerWaalsContact O-N 3.1Å; R80-G82 VanDerWaalsContact C-N 3.31Å
81E83.9Confident86.4Confident145 Ų14569.9 Ų69.968%0.67836%0.355SS*.THydrogen-bonded Turntrans-87.8-0.8179.1-59.3-17796.900112.5N79N79-E81 PolarHBondContact O-N 2.82Å; N79-E81 VanDerWaalsContact O-N 3.09Å; N79-E81 WeakPolarHBondContact OD1-CA 3.42Å; N79-E81 WeakPolarHBondContact OD1-CB 3.38Å; N79-E81 PolarHBondContact OD1-N 2.96Å
82G85.8Confident86.8Confident46 Ų4668.3 Ų68.347%0.47436%0.36SS..SBendtrans83.110.5-17600000113.9N79 R80N79-G82 PolarHBondContact O-N 3.47Å; N79-G82 PolarHBondContact OD1-N 3.5Å; N79-G82 VanDerWaalsContact OD1-N 3.16Å; R80-G82 VanDerWaalsContact C-N 3.31Å
83W88Confident87.2Confident103 Ų10368.6 Ų68.639%0.3936%0.363SS..  trans-91.3127.4-179-69.442.4000110.1H54 A78 N79 H87 I88 F91H54-W83 PolarHBondContact NE2-O 2.78Å; H54-W83 VanDerWaalsContact NE2-O 3.12Å; A78-W83 CarbonylContact C-O 3.58Å; A78-W83 WeakPolarHBondContact CA-O 3.49Å; N79-W83 PolarHBondContact N-O 3.05Å; N79-W83 WeakPolarHBondContact OD1-CA 3.37Å; N79-W83 WeakPolarHBondContact OD1-CB 3.49Å; N79-W83 PolarHBondContact OD1-N 3.27Å; N79-W83 PolarHBondContact OD1-O 3.5Å; W83-H87 HydrophobicContact CB-CB 4.26Å; W83-H87 HydrophobicContact CD2-CB 4.41Å; W83-H87 HydrophobicContact CE3-CB 4.14Å; W83-H87 HydrophobicContact CG-CB 4.49Å; W83-I88 HydrophobicContact CB-CG1 4.34Å; W83-I88 HydrophobicContact CE3-CG1 4.15Å; W83-F91 HydrophobicContact CH2-CD2 4.24Å; W83-F91 HydrophobicContact CH2-CG 4.42Å; W83-F91 HydrophobicContact CZ3-CB 4.05Å; W83-F91 HydrophobicContact CZ3-CD2 4.29Å; W83-F91 HydrophobicContact CZ3-CG 4.04Å
84S89Confident87.4Confident19 Ų1970.9 Ų70.913%0.13337%0.372CS..BIsolated β-bridgetrans-82.1164.717167.60000110.7L86 H87 I88S84-L86 PolarHBondContact O-N 3.43Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.34Å; S84-H87 PolarHBondContact N-ND1 3.38Å; S84-H87 WeakPolarHBondContact O-CB 3.46Å; S84-H87 PolarHBondContact O-N 2.8Å; S84-H87 PolarHBondContact OG-N 3.16Å; S84-H87 PolarHBondContact OG-ND1 3.38Å; S84-I88 PolarHBondContact O-N 3.08Å
85A88Confident87.7Confident0 Ų075.4 Ų75.40%039%0.391CS..Hα-helixtrans-49.8-35.8169.700000112.6L53 V57 A89 L101L53-A85 HydrophobicContact CD2-CB 3.76Å; L53-A85 HydrophobicContact CG-CB 4.09Å; V57-A85 HydrophobicContact CG2-CB 4.15Å; A85-A89 WeakPolarHBondContact O-CB 3.4Å; A85-A89 PolarHBondContact O-N 2.97Å; A85-L101 HydrophobicContact CB-CD1 3.98Å
86L89.6Confident88Confident63 Ų6379.6 Ų79.633%0.3341%0.413SS..Hα-helixtrans-69.6-39.3178.3-169.867.4000112.7S84 I88 A89 A90 V98 L101 I102S84-L86 PolarHBondContact O-N 3.43Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.34Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-A89 PolarHBondContact O-N 3.17Å; L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 3.07Å; L86-V98 HydrophobicContact CD1-CB 4.44Å; L86-V98 HydrophobicContact CD1-CG1 3.99Å; L86-L101 HydrophobicContact CD1-CB 4.14Å; L86-L101 HydrophobicContact CD1-CD1 4.45Å; L86-I102 HydrophobicContact CD1-CD1 4.32Å; L86-I102 HydrophobicContact CD1-CG1 3.86Å; L86-I102 HydrophobicContact CD2-CG1 4.37Å
87H89.9Confident88.4Confident105 Ų10569.6 Ų69.649%0.48638%0.376SS..Hα-helixtrans-61.5-45176.3-64.5147.7000111W83 S84 A90 F91W83-H87 HydrophobicContact CB-CB 4.26Å; W83-H87 HydrophobicContact CD2-CB 4.41Å; W83-H87 HydrophobicContact CE3-CB 4.14Å; W83-H87 HydrophobicContact CG-CB 4.49Å; S84-H87 PolarHBondContact N-ND1 3.38Å; S84-H87 WeakPolarHBondContact O-CB 3.46Å; S84-H87 PolarHBondContact O-N 2.8Å; S84-H87 PolarHBondContact OG-N 3.16Å; S84-H87 PolarHBondContact OG-ND1 3.38Å; H87-A90 PolarHBondContact O-N 3.36Å; H87-F91 WeakPolarHBondContact O-CB 3.4Å; H87-F91 PolarHBondContact O-N 3.12Å
88I89.7Confident88.7Confident17 Ų1769 Ų699%0.08737%0.374CS..Hα-helixtrans-64.5-45.2177.8-57.5-176.7000110.8H54 V57 I58 W83 S84 L86 A90 F91 G92H54-I88 HydrophobicContact CB-CD1 3.92Å; V57-I88 HydrophobicContact CB-CG2 4.35Å; V57-I88 HydrophobicContact CG1-CB 3.93Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; I58-I88 HydrophobicContact CD1-CD1 4.37Å; I58-I88 HydrophobicContact CG1-CD1 4.27Å; I58-I88 HydrophobicContact CG1-CG2 3.55Å; W83-I88 HydrophobicContact CB-CG1 4.34Å; W83-I88 HydrophobicContact CE3-CG1 4.15Å; S84-I88 PolarHBondContact O-N 3.08Å; L86-I88 VanDerWaalsContact C-N 3.34Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 2.93Å; I88-F91 PolarHBondContact O-N 3.16Å; I88-G92 PolarHBondContact O-N 3.45Å
89A90.8Very high88.9Confident0 Ų072.4 Ų72.40%039%0.385CS..Hα-helixtrans-61.4-40.1-179.600000111.8V57 A85 L86 G93 H94 I97 V98 L101V57-A89 VanDerWaalsContact CG1-CA 3.42Å; V57-A89 HydrophobicContact CG1-CB 3.49Å; V57-A89 VanDerWaalsContact CG1-CB 3.49Å; V57-A89 VanDerWaalsContact CG1-N 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.4Å; A85-A89 PolarHBondContact O-N 2.97Å; L86-A89 PolarHBondContact O-N 3.17Å; A89-G93 PolarHBondContact O-N 3.32Å; A89-H94 PolarHBondContact O-N 2.99Å; A89-I97 HydrophobicContact CB-CB 4.34Å; A89-I97 HydrophobicContact CB-CG2 3.92Å; A89-V98 HydrophobicContact CB-CG2 3.51Å; A89-L101 HydrophobicContact CB-CD1 4.26Å
90A90.2Very high89.2Confident65 Ų6574.4 Ų74.454%0.53739%0.392SS..Hα-helixtrans-67.2-41.6175.700000111.9L86 H87 I88 G93L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 3.07Å; H87-A90 PolarHBondContact O-N 3.36Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 2.93Å; A90-G93 PolarHBondContact O-N 3.07Å
91F91Very high89.4Confident167 Ų16765 Ų6573%0.73236%0.357SS*.Hα-helixtrans-64.9-41.8177.4-175.8-97.7000112.4W83 H87 I88 G93W83-F91 HydrophobicContact CH2-CD2 4.24Å; W83-F91 HydrophobicContact CH2-CG 4.42Å; W83-F91 HydrophobicContact CZ3-CB 4.05Å; W83-F91 HydrophobicContact CZ3-CD2 4.29Å; W83-F91 HydrophobicContact CZ3-CG 4.04Å; H87-F91 WeakPolarHBondContact O-CB 3.4Å; H87-F91 PolarHBondContact O-N 3.12Å; I88-F91 PolarHBondContact O-N 3.16Å; F91-G93 PolarHBondContact O-N 3.38Å
92G86.9Confident89.5Confident41 Ų4161.2 Ų61.242%0.42334%0.341SS..THydrogen-bonded Turntrans-75.6-6.217700000114.6I88 H94I88-G92 PolarHBondContact O-N 3.45Å; G92-H94 VanDerWaalsContact C-N 3.25Å; G92-H94 PolarHBondContact O-N 3.32Å
93G89.5Confident89.6Confident54 Ų5461.8 Ų61.856%0.55734%0.335SS*.THydrogen-bonded Turntrans70.417.6-177.900000114.4A89 A90 F91 Q95A89-G93 PolarHBondContact O-N 3.32Å; A90-G93 PolarHBondContact O-N 3.07Å; F91-G93 PolarHBondContact O-N 3.38Å; G93-Q95 VanDerWaalsContact C-N 3.3Å; G93-Q95 PolarHBondContact O-N 3.07Å
94H90.6Very high89.3Confident57 Ų5761.5 Ų61.526%0.26434%0.337SS..  trans-79.175-178.2-57.9-52.2000111.4V57 A89 G92 D96 I97 V98V57-H94 PolarHBondContact O-CD2 3.29Å; V57-H94 PolarHBondContact O-NE2 3.47Å; A89-H94 PolarHBondContact O-N 2.99Å; G92-H94 VanDerWaalsContact C-N 3.25Å; G92-H94 PolarHBondContact O-N 3.32Å; H94-D96 VanDerWaalsContact C-N 3.29Å; H94-D96 PolarHBondContact O-N 3.03Å; H94-I97 HydrophobicContact CB-CB 4.01Å; H94-I97 HydrophobicContact CB-CD1 3.81Å; H94-I97 HydrophobicContact CB-CG1 4.03Å; H94-I97 PolarHBondContact O-N 2.92Å; H94-I97 VanDerWaalsContact O-N 3.08Å; H94-V98 WeakPolarHBondContact O-CG2 3.48Å; H94-V98 PolarHBondContact O-N 2.91Å
95Q90.8Very high88.5Confident162 Ų16263 Ų6376%0.75735%0.35SS*.Hα-helixtrans-54.1-41.5-174.8-68.8-176.51.700113.3G93 I97 V98 L99G93-Q95 VanDerWaalsContact C-N 3.3Å; G93-Q95 PolarHBondContact O-N 3.07Å; Q95-I97 VanDerWaalsContact C-N 3.32Å; Q95-I97 PolarHBondContact O-N 3.21Å; Q95-V98 PolarHBondContact O-N 3.17Å; Q95-L99 WeakPolarHBondContact O-CB 3.4Å; Q95-L99 PolarHBondContact O-N 2.85Å
96D92.3Very high87.2Confident116 Ų11670.3 Ų70.362%0.6238%0.382SS*.Hα-helixtrans-63.3-38.8179.8-61.7-41.8000112.4L62 H94 Y100L62-D96 HydrophobicContact CD2-CB 4.06Å; H94-D96 VanDerWaalsContact C-N 3.29Å; H94-D96 PolarHBondContact O-N 3.03Å; D96-Y100 WeakPolarHBondContact O-CB 3.46Å; D96-Y100 PolarHBondContact O-N 3.06Å
97I91.5Very high85.4Confident2 Ų276.3 Ų76.31%0.0140%0.401CS..Hα-helixtrans-70.5-44.5178-60.9-179.4000110.1V57 L62 V65 A89 H94 Q95 L99 Y100 L101V57-I97 HydrophobicContact CG1-CG2 4.26Å; V57-I97 HydrophobicContact CG2-CG2 3.95Å; L62-I97 HydrophobicContact CB-CG1 4.19Å; L62-I97 HydrophobicContact CD1-CG1 4Å; V65-I97 HydrophobicContact CG1-CG2 4.37Å; V65-I97 HydrophobicContact CG2-CD1 4.26Å; V65-I97 HydrophobicContact CG2-CG2 4.08Å; A89-I97 HydrophobicContact CB-CB 4.34Å; A89-I97 HydrophobicContact CB-CG2 3.92Å; H94-I97 HydrophobicContact CB-CB 4.01Å; H94-I97 HydrophobicContact CB-CD1 3.81Å; H94-I97 HydrophobicContact CB-CG1 4.03Å; H94-I97 PolarHBondContact O-N 2.92Å; H94-I97 VanDerWaalsContact O-N 3.08Å; Q95-I97 VanDerWaalsContact C-N 3.32Å; Q95-I97 PolarHBondContact O-N 3.21Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3.41Å; I97-Y100 PolarHBondContact O-N 3.42Å; I97-L101 HydrophobicContact CG2-CD1 3.85Å; I97-L101 HydrophobicContact CG2-CG 4.2Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.04Å; I97-L101 PolarHBondContact O-N 3.22Å
98V91.1Very high83.5Confident32 Ų3276 Ų7619%0.19441%0.411CS..Hα-helixtrans-55.8-49174.9171.50000110.3L86 A89 H94 Q95 Y100 L101 I102L86-V98 HydrophobicContact CD1-CB 4.44Å; L86-V98 HydrophobicContact CD1-CG1 3.99Å; A89-V98 HydrophobicContact CB-CG2 3.51Å; H94-V98 WeakPolarHBondContact O-CG2 3.48Å; H94-V98 PolarHBondContact O-N 2.91Å; Q95-V98 PolarHBondContact O-N 3.17Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.49Å; V98-L101 PolarHBondContact O-N 3.35Å; V98-I102 HydrophobicContact CG1-CD1 3.64Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.3Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.47Å; V98-I102 PolarHBondContact O-N 3.42Å
99L90.6Very high81.5Confident116 Ų11679.7 Ų79.761%0.60744%0.438SS*.Hα-helixtrans-60.3-44.6179.2-176.364.2000111.4Q95 I97 T103Q95-L99 WeakPolarHBondContact O-CB 3.4Å; Q95-L99 PolarHBondContact O-N 2.85Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3.41Å; L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.3Å; L99-T103 PolarHBondContact O-N 3.16Å; L99-T103 PolarHBondContact O-OG1 3.1Å
100Y90.6Very high79.5Confident52 Ų5283.2 Ų83.220%0.20448%0.475CS..Hα-helixtrans-62.7-47.1178-175.5-99.1000112.5L62 V65 K66 V69 D96 I97 V98 T103 K104L62-Y100 HydrophobicContact CD1-CG 4.4Å; V65-Y100 HydrophobicContact CG1-CD1 3.96Å; V65-Y100 HydrophobicContact CG1-CE1 4.26Å; K66-Y100 HydrophobicContact CB-CE1 4.5Å; K66-Y100 HydrophobicContact CG-CD1 4.42Å; K66-Y100 HydrophobicContact CG-CD2 4.16Å; K66-Y100 HydrophobicContact CG-CE1 4.02Å; K66-Y100 HydrophobicContact CG-CE2 3.72Å; K66-Y100 HydrophobicContact CG-CG 4.48Å; V69-Y100 HydrophobicContact CB-CE1 4.15Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.14Å; D96-Y100 WeakPolarHBondContact O-CB 3.46Å; D96-Y100 PolarHBondContact O-N 3.06Å; I97-Y100 PolarHBondContact O-N 3.42Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.49Å; Y100-T103 WeakPolarHBondContact O-CB 3.49Å; Y100-T103 PolarHBondContact O-N 2.96Å; Y100-K104 HydrophobicContact CE1-CG 4.06Å; Y100-K104 HydrophobicContact CE2-CG 4.48Å; Y100-K104 PolarHBondContact O-N 3.3Å; Y100-K104 WeakPolarHBondContact OH-CE 3.4Å
101L87.1Confident77.3Confident4 Ų484.8 Ų84.82%0.02149%0.488CS..Hα-helixtrans-63-44.9179.6-70.3174.9000111.8V57 V65 I75 A85 L86 A89 I97 V98 T103 K104 A105V57-L101 HydrophobicContact CG2-CD1 4.45Å; V65-L101 HydrophobicContact CG1-CD2 4.2Å; I75-L101 HydrophobicContact CB-CD2 4.03Å; I75-L101 HydrophobicContact CG2-CD2 3.6Å; A85-L101 HydrophobicContact CB-CD1 3.98Å; L86-L101 HydrophobicContact CD1-CB 4.14Å; L86-L101 HydrophobicContact CD1-CD1 4.45Å; A89-L101 HydrophobicContact CB-CD1 4.26Å; I97-L101 HydrophobicContact CG2-CD1 3.85Å; I97-L101 HydrophobicContact CG2-CG 4.2Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.04Å; I97-L101 PolarHBondContact O-N 3.22Å; V98-L101 PolarHBondContact O-N 3.35Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.46Å; L101-K104 PolarHBondContact O-N 2.9Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.34Å
102I86.8Confident75Confident64 Ų6491.8 Ų91.833%0.32851%0.509SS..Hα-helixtrans-62.4-43.2176.4-68.5170.5000110.7L86 V98 K104 A105 K106L86-I102 HydrophobicContact CD1-CD1 4.32Å; L86-I102 HydrophobicContact CD1-CG1 3.86Å; L86-I102 HydrophobicContact CD2-CG1 4.37Å; V98-I102 HydrophobicContact CG1-CD1 3.64Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.3Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.47Å; V98-I102 PolarHBondContact O-N 3.42Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 2.69Å; I102-A105 PolarHBondContact O-N 3.41Å; I102-K106 HydrophobicContact CG2-CD 4.36Å; I102-K106 PolarHBondContact O-N 3.33Å; I102-K106 VanDerWaalsContact O-N 3.12Å
103T87.4Confident74.4Confident58 Ų5894.3 Ų94.336%0.35651%0.513SS..Hα-helixtrans-58.7-47.4178.3-60.90000109.9L99 Y100 L101 K106 Y107L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.3Å; L99-T103 PolarHBondContact O-N 3.16Å; L99-T103 PolarHBondContact O-OG1 3.1Å; Y100-T103 WeakPolarHBondContact O-CB 3.49Å; Y100-T103 PolarHBondContact O-N 2.96Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.46Å; T103-K106 PolarHBondContact O-N 2.99Å; T103-Y107 HydrophobicContact CG2-CD2 4.34Å; T103-Y107 HydrophobicContact CG2-CE2 3.69Å; T103-Y107 WeakPolarHBondContact O-CD2 3.48Å; T103-Y107 WeakPolarHBondContact O-CE2 3.48Å
104K83.3Confident73.6Confident98 Ų9896.4 Ų96.443%0.42651%0.511SS..Hα-helixtrans-67.9-36.6177.9-76-70.6-175.2179.80113.8V69 I75 Y100 L101 I102 K106 Y107V69-K104 HydrophobicContact CG1-CD 4.22Å; V69-K104 HydrophobicContact CG1-CG 4.15Å; I75-K104 HydrophobicContact CD1-CB 4.12Å; Y100-K104 HydrophobicContact CE1-CG 4.06Å; Y100-K104 HydrophobicContact CE2-CG 4.48Å; Y100-K104 PolarHBondContact O-N 3.3Å; Y100-K104 WeakPolarHBondContact OH-CE 3.4Å; L101-K104 PolarHBondContact O-N 2.9Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 2.69Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.4Å; K104-Y107 PolarHBondContact O-N 3.26Å
105A71.9Confident72.7Confident49 Ų4998.6 Ų98.641%0.40553%0.525SS..Hα-helixtrans-63.1-38.6177.300000112.9I75 L101 I102 Y107 S108I75-A105 HydrophobicContact CD1-CB 3.76Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.34Å; I102-A105 PolarHBondContact O-N 3.41Å; A105-Y107 VanDerWaalsContact C-N 3.35Å; A105-Y107 PolarHBondContact O-N 2.99Å; A105-S108 PolarHBondContact O-N 3.19Å
106K59.1Low71.6Confident154 Ų15494.9 Ų94.967%0.6751%0.511SS*.Hα-helixtrans-69.1-26.2-177.9-77.5-175172.3-179.30114.6I102 T103 K104 S109I102-K106 HydrophobicContact CG2-CD 4.36Å; I102-K106 PolarHBondContact O-N 3.33Å; I102-K106 VanDerWaalsContact O-N 3.12Å; T103-K106 PolarHBondContact O-N 2.99Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.4Å; K106-S109 PolarHBondContact O-OG 3.04Å; K106-S109 VanDerWaalsContact O-OG 3.12Å
107Y53.1Low70.3Confident190 Ų19093.6 Ų93.675%0.74550%0.504SS*.THydrogen-bonded Turntrans-83.7-9.7179.3-67.3-69.4000113.8T103 K104 A105T103-Y107 HydrophobicContact CG2-CD2 4.34Å; T103-Y107 HydrophobicContact CG2-CE2 3.69Å; T103-Y107 WeakPolarHBondContact O-CD2 3.48Å; T103-Y107 WeakPolarHBondContact O-CE2 3.48Å; K104-Y107 PolarHBondContact O-N 3.26Å; A105-Y107 VanDerWaalsContact C-N 3.35Å; A105-Y107 PolarHBondContact O-N 2.99Å
108S49.9Very low68.9Low98 Ų9899.7 Ų99.769%0.68554%0.537SS*.G310 helixtrans-86.4-15.9178.1-161.80000113.1A105 G110A105-S108 PolarHBondContact O-N 3.19Å; S108-G110 VanDerWaalsContact C-N 3.25Å; S108-G110 PolarHBondContact O-N 3.21Å
109S48.3Very low67.3Low95 Ų95104.5 Ų104.566%0.66456%0.562SS**G310 helixtrans-84.415.9179.956.40000114.9K106K106-S109 PolarHBondContact O-OG 3.04Å; K106-S109 VanDerWaalsContact O-OG 3.12Å
110G46.9Very low65.6Low74 Ų74103.6 Ų103.676%0.76356%0.558SS**G310 helixtrans-93.2-6.6178.900000115.8S108S108-G110 VanDerWaalsContact C-N 3.25Å; S108-G110 PolarHBondContact O-N 3.21Å
111A43.8Very low63.5Low98 Ų98107.9 Ų107.981%0.8159%0.588SS**  trans-100.691175.600000109.6
112R44.1Very low61.3Low313 Ų313117.4 Ų117.4100%1.18164%0.639SS**  trans-101.60161-82.6-176.1174.4172-1.6108.8

Retrieved 112 of 112 residues in 36.8 ms (Link to these results)

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