A0A096M6Q0_POEFO Loading...

Ribonuclease P/MRP protein subunit POP5

AlphaFold DB , UniProt , Accession A0A096M6Q0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 108 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
1M35.9Very low61.6Low240 Ų24088.9 Ų88.9100%1.18245%0.452SS*.  076.60-167.3172.9-173.600108.3S3M1-S3 PolarHBondContact O-N 3.45Å
2L35.1Very low64Low168 Ų16881.5 Ų81.588%0.8841%0.414SS*.  trans-78.7107175.8-84.5155.4000106.9V4L2-V4 VanDerWaalsContact C-N 3.34Å; L2-V4 PolarHBondContact O-N 2.91Å
3S35.8Very low66.1Low94 Ų9480.3 Ų80.366%0.65741%0.406SS*.  trans-57.9100.9167.6-81.40000108.5M1 Y5M1-S3 PolarHBondContact O-N 3.45Å; S3-Y5 PolarHBondContact O-N 3.04Å
4V48.2Very low67.9Low110 Ų11074.9 Ų74.967%0.66738%0.379SS*.  trans-62.686.4165.7-177.80000106.4L2 I6L2-V4 VanDerWaalsContact C-N 3.34Å; L2-V4 PolarHBondContact O-N 2.91Å; V4-I6 VanDerWaalsContact C-N 3.26Å; V4-I6 HydrophobicContact CG1-CG1 4.03Å; V4-I6 PolarHBondContact O-N 3.44Å
5Y51.9Low69.3Low126 Ų12676.3 Ų76.349%0.49439%0.388SS..  trans-72.488.2173.3-103-86000107.7S3 G7S3-Y5 PolarHBondContact O-N 3.04Å; Y5-G7 PolarHBondContact O-N 3.21Å
6I58.5Low70.5Confident53 Ų5372.6 Ų72.627%0.27237%0.37SS..  trans-57.998.9177.3-63.5161.2000108.4V4 K72 V108V4-I6 VanDerWaalsContact C-N 3.26Å; V4-I6 HydrophobicContact CG1-CG1 4.03Å; V4-I6 PolarHBondContact O-N 3.44Å; I6-K72 HydrophobicContact CG2-CD 3.95Å; I6-V108 WeakPolarHBondContact CD1-OXT 3.08Å
7G67.3Low71.4Confident7 Ų775.2 Ų75.27%0.07240%0.396CS..EExtended strand (participates in β ladder)trans-87.2143.6171.100000109.7Y5 F70Y5-G7 PolarHBondContact O-N 3.21Å; G7-F70 WeakPolarHBondContact CA-O 3.29Å
8R80.9Confident72.2Confident65 Ų6575.2 Ų75.225%0.24540%0.396CS..EExtended strand (participates in β ladder)trans-88.3136.1164.7-68-76.6-169.1-155.71.2108L10 F70 K72 Y75 G105R8-L10 HydrophobicContact CB-CD1 4.46Å; R8-F70 PolarHBondContact N-O 3.48Å; R8-F70 PolarHBondContact O-N 2.77Å; R8-K72 HydrophobicContact CG-CB 4.24Å; R8-K72 HydrophobicContact CG-CG 4.37Å; R8-Y75 HydrophobicContact CB-CG 4.47Å; R8-Y75 HydrophobicContact CG-CD1 4.15Å; R8-Y75 HydrophobicContact CG-CG 4.16Å; R8-G105 CarbonylContact C-O 3.03Å; R8-G105 WeakPolarHBondContact CA-O 3.38Å
9Y86Confident72.8Confident77 Ų7780.4 Ų80.430%0.30241%0.41SS..EExtended strand (participates in β ladder)trans-105.9123.2174-63.7-92.7000107.8L68 R69 V104 G105Y9-L68 CarbonylContact C-O 3.59Å; Y9-L68 WeakPolarHBondContact CA-O 3.39Å; Y9-R69 HydrophobicContact CD1-CB 4.41Å; Y9-R69 HydrophobicContact CE1-CB 4.35Å; Y9-R69 HydrophobicContact CE1-CG 4.21Å; Y9-V104 CarbonylContact O-C 3.54Å; Y9-V104 WeakPolarHBondContact O-CA 3.28Å; Y9-G105 PolarHBondContact N-O 3.48Å; Y9-G105 PolarHBondContact O-N 3.21Å
10L87.6Confident73.4Confident0 Ų085.8 Ų85.80%043%0.425CS..EExtended strand (participates in β ladder)trans-104.5120.3172.4-72.585.8000108.1R8 L68 F70 L78 W79 L82 H103 V104R8-L10 HydrophobicContact CB-CD1 4.46Å; L10-L68 HydrophobicContact CB-CB 4.37Å; L10-L68 PolarHBondContact N-O 3.44Å; L10-L68 PolarHBondContact O-N 3.4Å; L10-F70 HydrophobicContact CD1-CB 4.5Å; L10-L78 HydrophobicContact CD1-CD2 4.19Å; L10-L78 HydrophobicContact CD2-CD2 4.22Å; L10-W79 HydrophobicContact CD2-CB 4.3Å; L10-L82 HydrophobicContact CD2-CD1 3.89Å; L10-H103 WeakPolarHBondContact CA-O 3.48Å; L10-V104 HydrophobicContact CD1-CG1 4.47Å; L10-V104 HydrophobicContact CD2-CG2 4.13Å; L10-V104 HydrophobicContact CG-CG1 4.21Å; L10-V104 HydrophobicContact CG-CG2 4.07Å
11L90.4Very high73.9Confident38 Ų3883 Ų8320%0.19941%0.412CS..EExtended strand (participates in β ladder)trans-85114167.1-175.563000107.9I65 F67 L102 H103L11-I65 HydrophobicContact CD1-CG2 3.38Å; L11-I65 HydrophobicContact CG-CG2 4.46Å; L11-F67 HydrophobicContact CD1-CD1 4.45Å; L11-F67 HydrophobicContact CD1-CD2 3.67Å; L11-F67 HydrophobicContact CD1-CE1 4.14Å; L11-F67 HydrophobicContact CD1-CE2 3.3Å; L11-F67 HydrophobicContact CD1-CG 4.26Å; L11-F67 HydrophobicContact CD1-CZ 3.57Å; L11-L102 HydrophobicContact CD2-CB 4.25Å; L11-L102 HydrophobicContact CG-CB 4.28Å; L11-L102 PolarHBondContact O-N 3.23Å; L11-H103 HydrophobicContact CB-CB 3.93Å; L11-H103 HydrophobicContact CD2-CB 4.23Å; L11-H103 PolarHBondContact N-O 3.15Å; L11-H103 PolarHBondContact O-N 2.84Å
12C90.3Very high76.2Confident0 Ų072 Ų720%036%0.358CS..EExtended strand (participates in β ladder)trans-117.6148.8177.3-53.50000109.9I65 V66 N100 C101C12-I65 CarbonylContact O-C 3.58Å; C12-V66 PolarHBondContact N-O 2.85Å; C12-V66 PolarHBondContact O-N 2.77Å; C12-N100 CarbonylContact C-O 3.59Å; C12-N100 WeakPolarHBondContact CA-O 3.44Å; C12-C101 PolarHBondContact SG-SG 2.91Å
13E91.7Very high78.6Confident66 Ų6669.7 Ų69.731%0.30835%0.346SS..EExtended strand (participates in β ladder)trans-110.7130.2170.1-178.5-180-132.900108.7G64 I65 L99 N100 L102E13-G64 CarbonylContact C-O 3.54Å; E13-I65 HydrophobicContact CB-CD1 3.94Å; E13-I65 HydrophobicContact CG-CD1 4.06Å; E13-L99 CarbonylContact O-C 3.48Å; E13-L99 WeakPolarHBondContact O-CA 3.26Å; E13-N100 PolarHBondContact N-O 3.46Å; E13-N100 PolarHBondContact O-N 3.4Å; E13-L102 HydrophobicContact CB-CD1 3.91Å; E13-L102 HydrophobicContact CB-CG 4.16Å
14I90.8Very high80.9Confident4 Ų469.4 Ų69.42%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-90.1113.7172.5-56.3-179.6000107.6V16 L22 L25 V30 L59 G64 V66 I88 C97 F98 L99I14-V16 HydrophobicContact CG2-CG2 3.78Å; I14-L22 HydrophobicContact CB-CD2 4.14Å; I14-L22 HydrophobicContact CG2-CD2 4.06Å; I14-L25 HydrophobicContact CD1-CD1 3.91Å; I14-L25 HydrophobicContact CG2-CD1 4.03Å; I14-V30 HydrophobicContact CD1-CG1 4.36Å; I14-V30 HydrophobicContact CD1-CG2 3.94Å; I14-L59 HydrophobicContact CD1-CD1 4.08Å; I14-G64 WeakPolarHBondContact CB-O 3.5Å; I14-G64 WeakPolarHBondContact CG1-O 3.37Å; I14-G64 PolarHBondContact N-O 3.2Å; I14-V66 HydrophobicContact CD1-CG2 3.56Å; I14-V66 HydrophobicContact CG1-CG2 3.95Å; I14-I88 HydrophobicContact CD1-CD1 4.23Å; I14-C97 HydrophobicContact CG2-CB 3.77Å; I14-F98 CarbonylContact C-O 3.42Å; I14-F98 WeakPolarHBondContact CA-O 3.34Å; I14-L99 HydrophobicContact CG1-CD1 4.32Å; I14-L99 HydrophobicContact CG1-CG 4.1Å
15N89Confident82.6Confident97 Ų9764.8 Ų64.852%0.51930%0.304SS..EExtended strand (participates in β ladder)trans-95.7124.2172.8-163.1-62.6000109.3C97 F98N15-C97 CarbonylContact O-C 3.55Å; N15-C97 WeakPolarHBondContact O-CA 3.45Å; N15-C97 WeakPolarHBondContact O-CB 3.38Å; N15-F98 HydrophobicContact CB-CB 4.48Å; N15-F98 PolarHBondContact N-O 3.22Å; N15-F98 PolarHBondContact O-N 3.4Å
16V88.6Confident84.3Confident17 Ų1761.5 Ų61.510%0.10330%0.295CS..EExtended strand (participates in β ladder)trans-130.8145.2-177.1-149.10000108.2I14 D18 D21 L22 I95 P96 C97I14-V16 HydrophobicContact CG2-CG2 3.78Å; V16-D18 VanDerWaalsContact C-N 3.35Å; V16-D18 PolarHBondContact O-N 3.34Å; V16-D21 HydrophobicContact CG1-CB 3.97Å; V16-L22 HydrophobicContact CB-CG 4.4Å; V16-L22 HydrophobicContact CG2-CD1 4.39Å; V16-L22 HydrophobicContact CG2-CD2 3.26Å; V16-L22 HydrophobicContact CG2-CG 3.52Å; V16-I95 HydrophobicContact CG1-CG2 3.51Å; V16-P96 VanDerWaalsContact CG1-O 3.25Å; V16-P96 WeakPolarHBondContact CG1-O 3.26Å; V16-C97 HydrophobicContact CB-CB 4.49Å; V16-C97 HydrophobicContact CG1-CB 4.15Å; V16-C97 HydrophobicContact CG2-CB 4.1Å
17S85.2Confident85.7Confident117 Ų11762.5 Ų62.582%0.81830%0.301SS*.SBendtrans-62.7-40.4178.8-56.60000112.5
18D86.6Confident86.7Confident74 Ų7472.2 Ų72.240%0.39634%0.336SS..SBendtrans-113.8123.3173.9-168.1-17.6000110.3V16 R20 D21V16-D18 VanDerWaalsContact C-N 3.35Å; V16-D18 PolarHBondContact O-N 3.34Å; D18-R20 PolarHBondContact O-N 3.23Å; D18-R20 WeakPolarHBondContact OD1-CB 3.41Å; D18-R20 WeakPolarHBondContact OD1-CG 3.37Å; D18-R20 PolarHBondContact OD1-N 3.03Å; D18-D21 WeakPolarHBondContact O-CB 3.11Å; D18-D21 PolarHBondContact O-N 3.06Å
19R83.1Confident87Confident174 Ų17469.9 Ų69.966%0.65733%0.33SS*.Hα-helixtrans-63.9-22.1177.9-61.9-176.586.8101.22.1112.3D21 L22R19-D21 PolarHBondContact O-N 3.12Å; R19-L22 HydrophobicContact CB-CD1 4.49Å; R19-L22 WeakPolarHBondContact O-CB 3.15Å; R19-L22 PolarHBondContact O-N 3.45Å
20R84.9Confident87.2Confident188 Ų18866.2 Ų66.271%0.70932%0.315SS*.Hα-helixtrans-65-26.1175-64.7175.9179-168.41.1112.1D18 L22 L23D18-R20 PolarHBondContact O-N 3.23Å; D18-R20 WeakPolarHBondContact OD1-CB 3.41Å; D18-R20 WeakPolarHBondContact OD1-CG 3.37Å; D18-R20 PolarHBondContact OD1-N 3.03Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-L23 PolarHBondContact O-N 3.35Å
21D84.6Confident87.3Confident28 Ų2867.1 Ų67.115%0.1532%0.323CS..Hα-helixtrans-75.6-24.5177.9-66.9-31.3000112.3V16 D18 R19 L23 K24 L25 I95V16-D21 HydrophobicContact CG1-CB 3.97Å; D18-D21 WeakPolarHBondContact O-CB 3.11Å; D18-D21 PolarHBondContact O-N 3.06Å; R19-D21 PolarHBondContact O-N 3.12Å; D21-L23 VanDerWaalsContact C-N 3.25Å; D21-L23 PolarHBondContact O-N 3.05Å; D21-K24 WeakPolarHBondContact O-CB 3.38Å; D21-K24 PolarHBondContact O-N 3.03Å; D21-K24 WeakPolarHBondContact OD1-CE 3.42Å; D21-K24 IonicContact OD1-NZ 2.72Å; D21-K24 PolarHBondContact OD1-NZ 2.72Å; D21-L25 PolarHBondContact O-N 2.85Å; D21-I95 HydrophobicContact CB-CD1 4.33Å; D21-I95 HydrophobicContact CB-CG1 4.36Å; D21-I95 HydrophobicContact CB-CG2 3.63Å
22L83.8Confident87.2Confident8 Ų867 Ų674%0.04233%0.331CS..Hα-helixtrans-59.9-37.9172.4-71.8167.8000111.8I14 V16 R19 R20 K24 L25 A61I14-L22 HydrophobicContact CB-CD2 4.14Å; I14-L22 HydrophobicContact CG2-CD2 4.06Å; V16-L22 HydrophobicContact CB-CG 4.4Å; V16-L22 HydrophobicContact CG2-CD1 4.39Å; V16-L22 HydrophobicContact CG2-CD2 3.26Å; V16-L22 HydrophobicContact CG2-CG 3.52Å; R19-L22 HydrophobicContact CB-CD1 4.49Å; R19-L22 WeakPolarHBondContact O-CB 3.15Å; R19-L22 PolarHBondContact O-N 3.45Å; R20-L22 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.46Å; L22-L25 HydrophobicContact CD2-CD1 3.83Å; L22-L25 WeakPolarHBondContact O-CB 3.4Å; L22-L25 PolarHBondContact O-N 3.45Å; L22-L25 VanDerWaalsContact O-N 3.12Å; L22-A61 CarbonylContact C-O 3.57Å; L22-A61 WeakPolarHBondContact CB-O 3.26Å; L22-A61 WeakPolarHBondContact O-CB 3.49Å
23L84.7Confident87.2Confident121 Ų12167.6 Ų67.663%0.63434%0.335SS*.THydrogen-bonded Turntrans-66.3-18.4177.2-66.1165000113.1R20 D21R20-L23 PolarHBondContact O-N 3.35Å; D21-L23 VanDerWaalsContact C-N 3.25Å; D21-L23 PolarHBondContact O-N 3.05Å
24K84.1Confident87.1Confident88 Ų8864.5 Ų64.538%0.38332%0.321SS..THydrogen-bonded Turntrans-89-13.8177.5-56.2175.2-172.6164.10112.1D21 L22 C90 I95D21-K24 WeakPolarHBondContact O-CB 3.38Å; D21-K24 PolarHBondContact O-N 3.03Å; D21-K24 WeakPolarHBondContact OD1-CE 3.42Å; D21-K24 IonicContact OD1-NZ 2.72Å; D21-K24 PolarHBondContact OD1-NZ 2.72Å; L22-K24 PolarHBondContact O-N 3.46Å; K24-C90 PolarHBondContact O-SG 3.46Å; K24-I95 HydrophobicContact CB-CD1 4.03Å
25L84.6Confident87.1Confident13 Ų1368.1 Ų68.17%0.06834%0.336CS..  trans-72.2139.7-178.9-70.1169000111.1I14 D21 L22 L59 I88 I95I14-L25 HydrophobicContact CD1-CD1 3.91Å; I14-L25 HydrophobicContact CG2-CD1 4.03Å; D21-L25 PolarHBondContact O-N 2.85Å; L22-L25 HydrophobicContact CD2-CD1 3.83Å; L22-L25 WeakPolarHBondContact O-CB 3.4Å; L22-L25 PolarHBondContact O-N 3.45Å; L22-L25 VanDerWaalsContact O-N 3.12Å; L25-L59 HydrophobicContact CB-CD2 4.31Å; L25-I88 HydrophobicContact CD2-CB 3.93Å; L25-I88 HydrophobicContact CD2-CD1 3.89Å; L25-I88 HydrophobicContact CD2-CG2 3.46Å; L25-I88 VanDerWaalsContact CD2-CG2 3.46Å; L25-I95 HydrophobicContact CD2-CD1 4.1Å; L25-I95 HydrophobicContact CG-CD1 4.43Å
26D87.6Confident87.1Confident57 Ų5765.4 Ų65.431%0.30533%0.328SS..  trans-118.5146.4177.6-165.5-69.7000108.9R28 A29 V30D26-R28 PolarHBondContact O-N 2.83Å; D26-R28 VanDerWaalsContact O-N 3.12Å; D26-R28 PolarHBondContact OD1-N 2.76Å; D26-A29 HydrophobicContact CB-CB 4.2Å; D26-A29 WeakPolarHBondContact O-CB 3.39Å; D26-A29 PolarHBondContact O-N 3.47Å; D26-V30 WeakPolarHBondContact O-CG2 3.41Å; D26-V30 PolarHBondContact O-N 2.96Å
27D87.9Confident87.2Confident73 Ų7364.7 Ų64.739%0.3932%0.323SS..Hα-helixtrans-51.9-37.7176.9-64.6-80.6000111.8A31 V56 L59D27-A31 VanDerWaalsContact O-CB 3.25Å; D27-A31 WeakPolarHBondContact O-CB 3.43Å; D27-A31 PolarHBondContact O-N 2.73Å; D27-V56 HydrophobicContact CB-CG1 4.38Å; D27-L59 WeakPolarHBondContact OD1-CB 3.31Å
28R87.9Confident87.5Confident212 Ų21259.3 Ų59.380%0.829%0.286SS*.Hα-helixtrans-69-38.9178.4-65.4-178.3-179.5-169.71.2112.2D26 A31 G32D26-R28 PolarHBondContact O-N 2.83Å; D26-R28 VanDerWaalsContact O-N 3.12Å; D26-R28 PolarHBondContact OD1-N 2.76Å; R28-A31 PolarHBondContact O-N 2.81Å; R28-G32 PolarHBondContact O-N 2.8Å
29A88.9Confident87.7Confident15 Ų1557.4 Ų57.412%0.12428%0.28CS..Hα-helixtrans-66.7-43.917800000110.9D26 G32 S33 I88 E89 C90D26-A29 HydrophobicContact CB-CB 4.2Å; D26-A29 WeakPolarHBondContact O-CB 3.39Å; D26-A29 PolarHBondContact O-N 3.47Å; A29-G32 PolarHBondContact O-N 2.9Å; A29-S33 WeakPolarHBondContact O-CB 3.49Å; A29-S33 PolarHBondContact O-N 2.87Å; A29-S33 PolarHBondContact O-OG 2.98Å; A29-I88 HydrophobicContact CB-CG2 4.02Å; A29-E89 WeakPolarHBondContact CB-O 3.46Å; A29-C90 HydrophobicContact CB-CB 3.73Å; A29-C90 VanDerWaalsContact CB-SG 3.57Å
30V89.2Confident88Confident0 Ų057.2 Ų57.20%028%0.28CS..Hα-helixtrans-62.1-48.5174.5179.30000110.1I14 D26 G32 S33 V34 L59 V66 I88I14-V30 HydrophobicContact CD1-CG1 4.36Å; I14-V30 HydrophobicContact CD1-CG2 3.94Å; D26-V30 WeakPolarHBondContact O-CG2 3.41Å; D26-V30 PolarHBondContact O-N 2.96Å; V30-G32 PolarHBondContact O-N 2.83Å; V30-S33 PolarHBondContact O-N 3.47Å; V30-V34 HydrophobicContact CG1-CG2 4.4Å; V30-V34 WeakPolarHBondContact O-CB 3.45Å; V30-V34 VanDerWaalsContact O-CG2 3.27Å; V30-V34 WeakPolarHBondContact O-CG2 3.4Å; V30-V34 PolarHBondContact O-N 2.84Å; V30-L59 HydrophobicContact CG2-CD1 4.33Å; V30-L59 HydrophobicContact CG2-CD2 4.13Å; V30-V66 HydrophobicContact CG1-CG1 4.28Å; V30-V66 HydrophobicContact CG1-CG2 4.42Å; V30-I88 HydrophobicContact CG2-CD1 4.18Å
31A89.5Confident88.3Confident19 Ų1950.9 Ų50.916%0.15726%0.262CS..Hα-helixtrans-59.6-46178.200000112D27 R28 V34 K35 F54 V56D27-A31 VanDerWaalsContact O-CB 3.25Å; D27-A31 WeakPolarHBondContact O-CB 3.43Å; D27-A31 PolarHBondContact O-N 2.73Å; R28-A31 PolarHBondContact O-N 2.81Å; A31-V34 PolarHBondContact O-N 2.91Å; A31-K35 WeakPolarHBondContact O-CB 3.25Å; A31-K35 VanDerWaalsContact O-CG 3.26Å; A31-K35 WeakPolarHBondContact O-CG 3.49Å; A31-K35 PolarHBondContact O-N 3.12Å; A31-F54 HydrophobicContact CB-CE1 3.85Å; A31-F54 HydrophobicContact CB-CZ 4.38Å; A31-V56 HydrophobicContact CB-CG2 3.72Å
32G89.4Confident88.6Confident36 Ų3651.9 Ų51.937%0.37127%0.266SS..Hα-helixtrans-60.8-44.1177.900000112.1R28 A29 V30 K35 A36R28-G32 PolarHBondContact O-N 2.8Å; A29-G32 PolarHBondContact O-N 2.9Å; V30-G32 PolarHBondContact O-N 2.83Å; G32-K35 PolarHBondContact O-N 2.79Å; G32-A36 WeakPolarHBondContact O-CB 3.25Å; G32-A36 PolarHBondContact O-N 3.48Å
33S90.1Very high88.9Confident12 Ų1253.1 Ų53.18%0.08428%0.28CS..Hα-helixtrans-67.1-40.9179.9-57.60000112.4A29 V30 A36 A37 I88A29-S33 WeakPolarHBondContact O-CB 3.49Å; A29-S33 PolarHBondContact O-N 2.87Å; A29-S33 PolarHBondContact O-OG 2.98Å; V30-S33 PolarHBondContact O-N 3.47Å; S33-A36 PolarHBondContact O-N 2.86Å; S33-A37 WeakPolarHBondContact O-CB 3.46Å; S33-A37 PolarHBondContact O-N 2.76Å; S33-I88 WeakPolarHBondContact OG-CA 3.4Å; S33-I88 WeakPolarHBondContact OG-CG2 3.08Å
34V89.8Confident89.1Confident2 Ų254.4 Ų54.41%0.01229%0.287CS..Hα-helixtrans-61.8-45.5173.5171.20000110.5V30 A31 A36 A37 V38 F54 L78 I85 L99V30-V34 HydrophobicContact CG1-CG2 4.4Å; V30-V34 WeakPolarHBondContact O-CB 3.45Å; V30-V34 VanDerWaalsContact O-CG2 3.27Å; V30-V34 WeakPolarHBondContact O-CG2 3.4Å; V30-V34 PolarHBondContact O-N 2.84Å; A31-V34 PolarHBondContact O-N 2.91Å; V34-A36 PolarHBondContact O-N 3.15Å; V34-A37 PolarHBondContact O-N 2.74Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.42Å; V34-V38 PolarHBondContact O-N 3.36Å; V34-F54 HydrophobicContact CB-CE1 4.25Å; V34-F54 HydrophobicContact CB-CZ 3.91Å; V34-F54 HydrophobicContact CG1-CE1 4.15Å; V34-F54 HydrophobicContact CG1-CE2 4.21Å; V34-F54 HydrophobicContact CG1-CZ 3.67Å; V34-F54 HydrophobicContact CG2-CZ 4.45Å; V34-L78 HydrophobicContact CG1-CD1 3.43Å; V34-L78 VanDerWaalsContact CG1-CD1 3.43Å; V34-I85 HydrophobicContact CB-CD1 4.39Å; V34-I85 HydrophobicContact CG2-CD1 3.76Å; V34-L99 HydrophobicContact CG2-CD2 4.1Å
35K89.5Confident89.3Confident79 Ų7957 Ų5734%0.34330%0.296SS..Hα-helixtrans-60.4-44.9175.8-72.4179.5-179.9-172.90111.8A31 G32 V38 A39 C50 F54A31-K35 WeakPolarHBondContact O-CB 3.25Å; A31-K35 VanDerWaalsContact O-CG 3.26Å; A31-K35 WeakPolarHBondContact O-CG 3.49Å; A31-K35 PolarHBondContact O-N 3.12Å; G32-K35 PolarHBondContact O-N 2.79Å; K35-V38 PolarHBondContact O-N 2.81Å; K35-A39 WeakPolarHBondContact O-CB 3.4Å; K35-A39 PolarHBondContact O-N 3.21Å; K35-C50 WeakPolarHBondContact CE-O 3.4Å; K35-C50 HydrophobicContact CG-CB 3.94Å; K35-F54 HydrophobicContact CD-CD1 4.37Å; K35-F54 HydrophobicContact CG-CD1 3.89Å; K35-F54 HydrophobicContact CG-CE1 4.01Å
36A90Very high89.4Confident41 Ų4156.4 Ų56.434%0.33929%0.293SS..Hα-helixtrans-63.8-41178.300000111.8G32 S33 V34 A39 R40G32-A36 WeakPolarHBondContact O-CB 3.25Å; G32-A36 PolarHBondContact O-N 3.48Å; S33-A36 PolarHBondContact O-N 2.86Å; V34-A36 PolarHBondContact O-N 3.15Å; A36-A39 PolarHBondContact O-N 2.86Å; A36-R40 WeakPolarHBondContact O-CB 3.15Å; A36-R40 VanDerWaalsContact O-CG 3.28Å; A36-R40 WeakPolarHBondContact O-CG 3.42Å; A36-R40 PolarHBondContact O-N 2.8Å; A36-R40 PolarHBondContact O-NE 2.88Å
37A90.3Very high89.4Confident1 Ų155 Ų551%0.00829%0.289CS..Hα-helixtrans-64.8-45.8174.900000112.1S33 V34 A39 R40 T41 I85S33-A37 WeakPolarHBondContact O-CB 3.46Å; S33-A37 PolarHBondContact O-N 2.76Å; V34-A37 PolarHBondContact O-N 2.74Å; A37-A39 VanDerWaalsContact C-N 3.31Å; A37-A39 PolarHBondContact O-N 2.91Å; A37-R40 PolarHBondContact O-N 2.83Å; A37-R40 VanDerWaalsContact O-N 3.15Å; A37-T41 PolarHBondContact O-N 2.76Å; A37-T41 PolarHBondContact O-OG1 3.49Å; A37-T41 VanDerWaalsContact O-OG1 3.05Å; A37-I85 HydrophobicContact CB-CD1 4.14Å; A37-I85 HydrophobicContact CB-CG1 3.34Å
38V90.5Very high89.4Confident5 Ų554 Ų543%0.0329%0.291CS..Hα-helixtrans-60.1-41.9174.8172.10000111.2V34 K35 R40 T41 H42 G46 L78 A81V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.42Å; V34-V38 PolarHBondContact O-N 3.36Å; K35-V38 PolarHBondContact O-N 2.81Å; V38-R40 VanDerWaalsContact C-N 3.34Å; V38-T41 PolarHBondContact O-N 3.32Å; V38-H42 WeakPolarHBondContact O-CB 3.31Å; V38-H42 PolarHBondContact O-N 2.84Å; V38-G46 VanDerWaalsContact CG1-C 3.5Å; V38-G46 WeakPolarHBondContact CG1-O 3.33Å; V38-L78 HydrophobicContact CG2-CD1 3.61Å; V38-A81 HydrophobicContact CB-CB 4.41Å; V38-A81 HydrophobicContact CG2-CB 3.68Å
39A91.3Very high89.3Confident34 Ų3445.1 Ų45.128%0.28126%0.259SS..Hα-helixtrans-63.7-38.817600000112.1K35 A36 A37 G43 A47K35-A39 WeakPolarHBondContact O-CB 3.4Å; K35-A39 PolarHBondContact O-N 3.21Å; A36-A39 PolarHBondContact O-N 2.86Å; A37-A39 VanDerWaalsContact C-N 3.31Å; A37-A39 PolarHBondContact O-N 2.91Å; A39-G43 WeakPolarHBondContact O-CA 3.35Å; A39-G43 PolarHBondContact O-N 2.85Å; A39-A47 HydrophobicContact CB-CB 3.82Å
40R90.6Very high89Confident170 Ų17044.5 Ų44.564%0.64225%0.254SS*.Hα-helixtrans-68.7-39176.1-75-177.2-68.1-145.43.6112.8A36 A37 V38A36-R40 WeakPolarHBondContact O-CB 3.15Å; A36-R40 VanDerWaalsContact O-CG 3.28Å; A36-R40 WeakPolarHBondContact O-CG 3.42Å; A36-R40 PolarHBondContact O-N 2.8Å; A36-R40 PolarHBondContact O-NE 2.88Å; A37-R40 PolarHBondContact O-N 2.83Å; A37-R40 VanDerWaalsContact O-N 3.15Å; V38-R40 VanDerWaalsContact C-N 3.34Å
41T90.9Very high88.7Confident55 Ų5548.6 Ų48.634%0.33728%0.283SS..Hα-helixtrans-80.9-39-177.8-52.70000112.7A37 V38 F84A37-T41 PolarHBondContact O-N 2.76Å; A37-T41 PolarHBondContact O-OG1 3.49Å; A37-T41 VanDerWaalsContact O-OG1 3.05Å; V38-T41 PolarHBondContact O-N 3.32Å; T41-F84 HydrophobicContact CG2-CD2 4.24Å; T41-F84 HydrophobicContact CG2-CE2 4.25Å
42H89.4Confident88.2Confident49 Ų4953.5 Ų53.523%0.22731%0.305CS..Hα-helixtrans-118.34.1-169.8-60.6-73.4000113.9V38 L77 S80V38-H42 WeakPolarHBondContact O-CB 3.31Å; V38-H42 PolarHBondContact O-N 2.84Å; H42-L77 WeakPolarHBondContact CE1-CD2 3.14Å; H42-L77 WeakPolarHBondContact ND1-CD2 3.45Å; H42-L77 PolarHBondContact NE2-O 3.19Å; H42-S80 PolarHBondContact CE1-OG 3.09Å; H42-S80 PolarHBondContact NE2-OG 3.37Å
43G90.7Very high87.6Confident33 Ų3357.8 Ų57.834%0.3431%0.31SS..Hα-helixtrans66.3-158.4-178.400000113.8A39 Y45 G46 A47A39-G43 WeakPolarHBondContact O-CA 3.35Å; A39-G43 PolarHBondContact O-N 2.85Å; G43-Y45 PolarHBondContact O-N 2.85Å; G43-G46 PolarHBondContact O-N 3.28Å; G43-G46 VanDerWaalsContact O-N 3.15Å; G43-A47 PolarHBondContact O-N 2.95Å; G43-A47 VanDerWaalsContact O-N 3.12Å
44D89.6Confident87.4Confident148 Ų14858.3 Ų58.379%0.79131%0.311SS*.Hα-helixtrans-60.9-29.7-178-62.3-33.5000112.9A47 A48D44-A47 PolarHBondContact O-N 3.46Å; D44-A48 WeakPolarHBondContact O-CB 3.15Å; D44-A48 PolarHBondContact O-N 3.33Å
45Y87.6Confident87.3Confident142 Ų14260.9 Ų60.956%0.55733%0.328SS*.Hα-helixtrans-61.3-49.5175.5-178.5-105.1000111.6G43 A47 A48 L49 F74 L77G43-Y45 PolarHBondContact O-N 2.85Å; Y45-A47 VanDerWaalsContact C-N 3.35Å; Y45-A47 PolarHBondContact O-N 3.3Å; Y45-A48 PolarHBondContact O-N 2.97Å; Y45-L49 HydrophobicContact CD1-CD1 3.95Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE1-CG 4.48Å; Y45-L49 HydrophobicContact CE2-CD1 4.46Å; Y45-L49 WeakPolarHBondContact O-CG 3.5Å; Y45-L49 PolarHBondContact O-N 2.92Å; Y45-F74 VanDerWaalsContact OH-CE1 3.28Å; Y45-F74 WeakPolarHBondContact OH-CE1 3.17Å; Y45-L77 HydrophobicContact CE1-CD1 4.06Å
46G86.9Confident87.3Confident1 Ų158.1 Ų58.11%0.0132%0.318CS..Hα-helixtrans-63.3-41.7175.700000112.2V38 G43 A48 L49 C50V38-G46 VanDerWaalsContact CG1-C 3.5Å; V38-G46 WeakPolarHBondContact CG1-O 3.33Å; G43-G46 PolarHBondContact O-N 3.28Å; G43-G46 VanDerWaalsContact O-N 3.15Å; G46-A48 PolarHBondContact O-N 2.87Å; G46-L49 PolarHBondContact O-N 3.43Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 2.97Å
47A87.3Confident87.2Confident28 Ų2861.9 Ų61.923%0.23133%0.327CS..Hα-helixtrans-61-42.3178.900000112.6A39 G43 D44 Y45 C50 S51A39-A47 HydrophobicContact CB-CB 3.82Å; G43-A47 PolarHBondContact O-N 2.95Å; G43-A47 VanDerWaalsContact O-N 3.12Å; D44-A47 PolarHBondContact O-N 3.46Å; Y45-A47 VanDerWaalsContact C-N 3.35Å; Y45-A47 PolarHBondContact O-N 3.3Å; A47-C50 WeakPolarHBondContact O-CB 3.33Å; A47-C50 PolarHBondContact O-N 2.8Å; A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 VanDerWaalsContact O-N 3.15Å; A47-S51 PolarHBondContact O-OG 3.43Å; A47-S51 VanDerWaalsContact O-OG 3.09Å
48A88.4Confident87.1Confident51 Ų5167.4 Ų67.442%0.42135%0.348SS..Hα-helixtrans-63.8-45.6177.200000111.5D44 Y45 G46 C50 S51 I52D44-A48 WeakPolarHBondContact O-CB 3.15Å; D44-A48 PolarHBondContact O-N 3.33Å; Y45-A48 PolarHBondContact O-N 2.97Å; G46-A48 PolarHBondContact O-N 2.87Å; A48-C50 VanDerWaalsContact C-N 3.31Å; A48-C50 PolarHBondContact O-N 2.88Å; A48-S51 WeakPolarHBondContact O-CB 3.27Å; A48-S51 PolarHBondContact O-N 2.91Å; A48-I52 WeakPolarHBondContact O-CG1 3.23Å; A48-I52 PolarHBondContact O-N 3.13Å
49L85Confident87Confident27 Ų2768.4 Ų68.414%0.14135%0.353CS..Hα-helixtrans-60.7-41.3176.7-68.8173.6000112.4Y45 G46 S51 I52 F74 L77Y45-L49 HydrophobicContact CD1-CD1 3.95Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE1-CG 4.48Å; Y45-L49 HydrophobicContact CE2-CD1 4.46Å; Y45-L49 WeakPolarHBondContact O-CG 3.5Å; Y45-L49 PolarHBondContact O-N 2.92Å; G46-L49 PolarHBondContact O-N 3.43Å; L49-S51 PolarHBondContact O-N 3.21Å; L49-I52 PolarHBondContact O-N 2.92Å; L49-F74 HydrophobicContact CD1-CB 4.16Å; L49-F74 HydrophobicContact CD1-CD1 3.42Å; L49-F74 VanDerWaalsContact CD1-CD1 3.42Å; L49-F74 HydrophobicContact CD1-CD2 4.33Å; L49-F74 HydrophobicContact CD1-CE1 3.83Å; L49-F74 HydrophobicContact CD1-CG 3.7Å; L49-F74 HydrophobicContact CD1-CZ 4.44Å; L49-F74 HydrophobicContact CD2-CD1 4.12Å; L49-F74 HydrophobicContact CD2-CD2 3.71Å; L49-F74 HydrophobicContact CD2-CE1 4.03Å; L49-F74 HydrophobicContact CD2-CE2 3.62Å; L49-F74 HydrophobicContact CD2-CG 3.96Å; L49-F74 HydrophobicContact CD2-CZ 3.78Å; L49-F74 HydrophobicContact CG-CD1 4.4Å; L49-F74 HydrophobicContact CG-CG 4.37Å; L49-L77 HydrophobicContact CD1-CD1 3.76Å
50C84.1Confident86.9Confident1 Ų168.7 Ų68.71%0.00735%0.35CS..Hα-helixtrans-61.5-21.3172.6-113.70000113.1K35 G46 A47 A48 F54 F70K35-C50 WeakPolarHBondContact CE-O 3.4Å; K35-C50 HydrophobicContact CG-CB 3.94Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 2.97Å; A47-C50 WeakPolarHBondContact O-CB 3.33Å; A47-C50 PolarHBondContact O-N 2.8Å; A48-C50 VanDerWaalsContact C-N 3.31Å; A48-C50 PolarHBondContact O-N 2.88Å; C50-F54 WeakPolarHBondContact O-CB 3.49Å; C50-F70 VanDerWaalsContact SG-CZ 3.59Å
51S81.4Confident86.7Confident87 Ų8762 Ų6261%0.60833%0.331SS*.Hα-helixtrans-90.4-22.1179.7-63.40000113.2A47 A48 L49A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 VanDerWaalsContact O-N 3.15Å; A47-S51 PolarHBondContact O-OG 3.43Å; A47-S51 VanDerWaalsContact O-OG 3.09Å; A48-S51 WeakPolarHBondContact O-CB 3.27Å; A48-S51 PolarHBondContact O-N 2.91Å; L49-S51 PolarHBondContact O-N 3.21Å
52I80.1Confident86.4Confident121 Ų12166.1 Ų66.162%0.62135%0.346SS*.Hα-helixtrans-78.9-48.3-172.8-67.1161.5000112.7A48 L49A48-I52 WeakPolarHBondContact O-CG1 3.23Å; A48-I52 PolarHBondContact O-N 3.13Å; L49-I52 PolarHBondContact O-N 2.92Å
53R77.4Confident86.2Confident127 Ų12766.4 Ų66.448%0.47935%0.352SS..SBendtrans-144.615.2-170-73.4-82-179.6155.11.9114.7
54F85.9Confident86.1Confident22 Ų2264.9 Ų64.910%0.09634%0.335CS..  trans-82.1133.7175.4173.3-128.7000111.3A31 V34 K35 C50 V56 L68 F70A31-F54 HydrophobicContact CB-CE1 3.85Å; A31-F54 HydrophobicContact CB-CZ 4.38Å; V34-F54 HydrophobicContact CB-CE1 4.25Å; V34-F54 HydrophobicContact CB-CZ 3.91Å; V34-F54 HydrophobicContact CG1-CE1 4.15Å; V34-F54 HydrophobicContact CG1-CE2 4.21Å; V34-F54 HydrophobicContact CG1-CZ 3.67Å; V34-F54 HydrophobicContact CG2-CZ 4.45Å; K35-F54 HydrophobicContact CD-CD1 4.37Å; K35-F54 HydrophobicContact CG-CD1 3.89Å; K35-F54 HydrophobicContact CG-CE1 4.01Å; C50-F54 WeakPolarHBondContact O-CB 3.49Å; F54-V56 HydrophobicContact CZ-CG2 4.05Å; F54-L68 HydrophobicContact CE2-CB 4.15Å; F54-L68 HydrophobicContact CE2-CD2 3.83Å; F54-L68 HydrophobicContact CE2-CG 4.38Å; F54-L68 HydrophobicContact CZ-CD2 4.02Å; F54-F70 HydrophobicContact CB-CD2 4.26Å; F54-F70 HydrophobicContact CB-CE2 3.73Å; F54-F70 HydrophobicContact CB-CZ 3.93Å; F54-F70 HydrophobicContact CD1-CE2 4.45Å; F54-F70 AromaticContact CD2-CD2 3.31Å; F54-F70 HydrophobicContact CD2-CD2 3.31Å; F54-F70 AromaticContact CD2-CE2 2.97Å; F54-F70 HydrophobicContact CD2-CE2 2.97Å; F54-F70 AromaticContact CD2-CZ 3.99Å; F54-F70 HydrophobicContact CD2-CZ 3.99Å; F54-F70 AromaticContact CE2-CD2 3.95Å; F54-F70 HydrophobicContact CE2-CD2 3.95Å; F54-F70 AromaticContact CE2-CE2 3.57Å; F54-F70 HydrophobicContact CE2-CE2 3.57Å; F54-F70 HydrophobicContact CG-CD2 4.12Å; F54-F70 AromaticContact CG-CE2 3.48Å; F54-F70 HydrophobicContact CG-CE2 3.48Å; F54-F70 VanDerWaalsContact CG-CE2 3.48Å; F54-F70 HydrophobicContact CG-CZ 4.06Å
55C86.1Confident86.1Confident57 Ų5759.3 Ų59.339%0.38531%0.305SS..EExtended strand (participates in β ladder)trans-150.4135174.5173.90000109.9R69C55-R69 PolarHBondContact N-O 3.3Å; C55-R69 PolarHBondContact O-N 3.14Å
56V89.8Confident86.3Confident21 Ų2152.6 Ų52.613%0.12728%0.279CS..EExtended strand (participates in β ladder)trans-78.7121.7166-179.50000107D27 A31 F54 V66 L68D27-V56 HydrophobicContact CB-CG1 4.38Å; A31-V56 HydrophobicContact CB-CG2 3.72Å; F54-V56 HydrophobicContact CZ-CG2 4.05Å; V56-V66 HydrophobicContact CG1-CG1 4.11Å; V56-L68 HydrophobicContact CB-CD2 4.49Å; V56-L68 HydrophobicContact CG2-CD2 3.75Å
57K88.4Confident86.4Confident119 Ų11956.1 Ų56.152%0.51729%0.294SS..EExtended strand (participates in β ladder)trans-93-31.9-178-80.4-65.3-171.4-179.20113F67 R69K57-F67 HydrophobicContact CB-CB 4.21Å; K57-F67 PolarHBondContact N-O 3.37Å; K57-R69 HydrophobicContact CG-CB 4.09Å
58Y88.6Confident86.5Confident117 Ų11754.8 Ų54.846%0.45928%0.283SS..EExtended strand (participates in β ladder)trans-157.7135.5-176.6178.3-102.7000108.8N60 V66 F67Y58-N60 HydrophobicContact CE1-CB 3.66Å; Y58-N60 PolarHBondContact OH-ND2 3.33Å; Y58-V66 CarbonylContact O-C 3.52Å; Y58-V66 VanDerWaalsContact O-CA 3.31Å; Y58-V66 WeakPolarHBondContact O-CA 3.47Å; Y58-F67 HydrophobicContact CD1-CD2 4.06Å; Y58-F67 PolarHBondContact O-N 3.28Å
59L88.1Confident86.4Confident27 Ų2755.9 Ų55.914%0.14128%0.276CS..EExtended strand (participates in β ladder)trans-128.2124.6168.5166.765.9000106.8I14 L25 D27 V30 V66I14-L59 HydrophobicContact CD1-CD1 4.08Å; L25-L59 HydrophobicContact CB-CD2 4.31Å; D27-L59 WeakPolarHBondContact OD1-CB 3.31Å; V30-L59 HydrophobicContact CG2-CD1 4.33Å; V30-L59 HydrophobicContact CG2-CD2 4.13Å; L59-V66 HydrophobicContact CB-CG2 4.33Å; L59-V66 HydrophobicContact CD1-CG2 3.27Å; L59-V66 HydrophobicContact CG-CG2 4.37Å
60N89.3Confident86.2Confident40 Ų4055 Ų5521%0.21427%0.272CS..EExtended strand (participates in β ladder)trans-101102.6168.1-169.4-17.3000109.1Y58 H62 T63 G64 I65Y58-N60 HydrophobicContact CE1-CB 3.66Å; Y58-N60 PolarHBondContact OH-ND2 3.33Å; N60-H62 PolarHBondContact O-N 3.29Å; N60-H62 VanDerWaalsContact OD1-CB 3.29Å; N60-H62 WeakPolarHBondContact OD1-CB 3.36Å; N60-H62 PolarHBondContact OD1-N 3.3Å; N60-T63 WeakPolarHBondContact CB-OG1 3.42Å; N60-T63 PolarHBondContact ND2-OG1 3.24Å; N60-T63 PolarHBondContact O-N 3.26Å; N60-T63 PolarHBondContact OD1-N 2.94Å; N60-G64 VanDerWaalsContact O-CA 3.26Å; N60-G64 WeakPolarHBondContact O-CA 3.45Å; N60-G64 PolarHBondContact O-N 3.34Å; N60-I65 HydrophobicContact CB-CB 4.4Å; N60-I65 PolarHBondContact N-O 3.48Å; N60-I65 PolarHBondContact O-N 2.85Å
61A85.1Confident86.2Confident29 Ų2958.4 Ų58.424%0.2429%0.287CS..THydrogen-bonded Turntrans-67.2-11.9176.600000113.7L22L22-A61 CarbonylContact C-O 3.57Å; L22-A61 WeakPolarHBondContact CB-O 3.26Å; L22-A61 WeakPolarHBondContact O-CB 3.49Å
62H85.4Confident86Confident142 Ų14259.1 Ų59.166%0.65728%0.279SS*.THydrogen-bonded Turntrans-89.5-37.4177.9-165.7-85.8000112.6N60N60-H62 PolarHBondContact O-N 3.29Å; N60-H62 VanDerWaalsContact OD1-CB 3.29Å; N60-H62 WeakPolarHBondContact OD1-CB 3.36Å; N60-H62 PolarHBondContact OD1-N 3.3Å
63T85.8Confident85.8Confident55 Ų5555.9 Ų55.934%0.33728%0.276SS..THydrogen-bonded Turntrans-103-13179.961.90000113.5N60 I65N60-T63 WeakPolarHBondContact CB-OG1 3.42Å; N60-T63 PolarHBondContact ND2-OG1 3.24Å; N60-T63 PolarHBondContact O-N 3.26Å; N60-T63 PolarHBondContact OD1-N 2.94Å; T63-I65 PolarHBondContact O-N 3.15Å; T63-I65 VanDerWaalsContact OG1-CG1 3.26Å; T63-I65 WeakPolarHBondContact OG1-CG1 3.46Å; T63-I65 PolarHBondContact OG1-N 2.86Å
64G87Confident85.9Confident0 Ų052.8 Ų52.80%027%0.266CS..THydrogen-bonded Turntrans759.6-172.500000113.8E13 I14 N60E13-G64 CarbonylContact C-O 3.54Å; I14-G64 WeakPolarHBondContact CB-O 3.5Å; I14-G64 WeakPolarHBondContact CG1-O 3.37Å; I14-G64 PolarHBondContact N-O 3.2Å; N60-G64 VanDerWaalsContact O-CA 3.26Å; N60-G64 WeakPolarHBondContact O-CA 3.45Å; N60-G64 PolarHBondContact O-N 3.34Å
65I90.4Very high85.8Confident32 Ų3254.2 Ų54.216%0.16427%0.271CS..EExtended strand (participates in β ladder)trans-81131.5-177.3-62.2-66.1000110.6L11 C12 E13 N60 T63 L102L11-I65 HydrophobicContact CD1-CG2 3.38Å; L11-I65 HydrophobicContact CG-CG2 4.46Å; C12-I65 CarbonylContact O-C 3.58Å; E13-I65 HydrophobicContact CB-CD1 3.94Å; E13-I65 HydrophobicContact CG-CD1 4.06Å; N60-I65 HydrophobicContact CB-CB 4.4Å; N60-I65 PolarHBondContact N-O 3.48Å; N60-I65 PolarHBondContact O-N 2.85Å; T63-I65 PolarHBondContact O-N 3.15Å; T63-I65 VanDerWaalsContact OG1-CG1 3.26Å; T63-I65 WeakPolarHBondContact OG1-CG1 3.46Å; T63-I65 PolarHBondContact OG1-N 2.86Å; I65-L102 HydrophobicContact CD1-CD1 3.91Å
66V91.3Very high85.8Confident0 Ų058.2 Ų58.20%028%0.282CS..EExtended strand (participates in β ladder)trans-126.6134.9179.4175.60000111.2C12 I14 V30 V56 Y58 L59 L68C12-V66 PolarHBondContact N-O 2.85Å; C12-V66 PolarHBondContact O-N 2.77Å; I14-V66 HydrophobicContact CD1-CG2 3.56Å; I14-V66 HydrophobicContact CG1-CG2 3.95Å; V30-V66 HydrophobicContact CG1-CG1 4.28Å; V30-V66 HydrophobicContact CG1-CG2 4.42Å; V56-V66 HydrophobicContact CG1-CG1 4.11Å; Y58-V66 CarbonylContact O-C 3.52Å; Y58-V66 VanDerWaalsContact O-CA 3.31Å; Y58-V66 WeakPolarHBondContact O-CA 3.47Å; L59-V66 HydrophobicContact CB-CG2 4.33Å; L59-V66 HydrophobicContact CD1-CG2 3.27Å; L59-V66 HydrophobicContact CG-CG2 4.37Å; V66-L68 HydrophobicContact CG1-CD2 3.37Å; V66-L68 HydrophobicContact CG1-CG 3.86Å
67F90.3Very high85.6Confident76 Ų7659.5 Ų59.533%0.33329%0.288SS..EExtended strand (participates in β ladder)trans-103.9117.4167.2-87.2-94000111L11 K57 Y58L11-F67 HydrophobicContact CD1-CD1 4.45Å; L11-F67 HydrophobicContact CD1-CD2 3.67Å; L11-F67 HydrophobicContact CD1-CE1 4.14Å; L11-F67 HydrophobicContact CD1-CE2 3.3Å; L11-F67 HydrophobicContact CD1-CG 4.26Å; L11-F67 HydrophobicContact CD1-CZ 3.57Å; K57-F67 HydrophobicContact CB-CB 4.21Å; K57-F67 PolarHBondContact N-O 3.37Å; Y58-F67 HydrophobicContact CD1-CD2 4.06Å; Y58-F67 PolarHBondContact O-N 3.28Å
68L88.4Confident85.4Confident0 Ų053.9 Ų53.90%026%0.264CS..EExtended strand (participates in β ladder)trans-104.4128.7175.6-54.8178.8000109.4Y9 L10 F54 V56 V66 L78 L82Y9-L68 CarbonylContact C-O 3.59Å; Y9-L68 WeakPolarHBondContact CA-O 3.39Å; L10-L68 HydrophobicContact CB-CB 4.37Å; L10-L68 PolarHBondContact N-O 3.44Å; L10-L68 PolarHBondContact O-N 3.4Å; F54-L68 HydrophobicContact CE2-CB 4.15Å; F54-L68 HydrophobicContact CE2-CD2 3.83Å; F54-L68 HydrophobicContact CE2-CG 4.38Å; F54-L68 HydrophobicContact CZ-CD2 4.02Å; V56-L68 HydrophobicContact CB-CD2 4.49Å; V56-L68 HydrophobicContact CG2-CD2 3.75Å; V66-L68 HydrophobicContact CG1-CD2 3.37Å; V66-L68 HydrophobicContact CG1-CG 3.86Å; L68-L78 HydrophobicContact CD1-CD2 4.26Å; L68-L82 HydrophobicContact CD1-CD2 3.96Å
69R86.1Confident85.2Confident73 Ų7355 Ų5528%0.27527%0.267SS..EExtended strand (participates in β ladder)trans-97.7132.3169.8-175-178.8-179.2179.15.9110Y9 C55 K57Y9-R69 HydrophobicContact CD1-CB 4.41Å; Y9-R69 HydrophobicContact CE1-CB 4.35Å; Y9-R69 HydrophobicContact CE1-CG 4.21Å; C55-R69 PolarHBondContact N-O 3.3Å; C55-R69 PolarHBondContact O-N 3.14Å; K57-R69 HydrophobicContact CG-CB 4.09Å
70F82.1Confident85.3Confident10 Ų1056.2 Ų56.24%0.04428%0.278CS..EExtended strand (participates in β ladder)trans-139.4163.7178.5-115.1-92.6000113.6G7 R8 L10 C50 F54 L78G7-F70 WeakPolarHBondContact CA-O 3.29Å; R8-F70 PolarHBondContact N-O 3.48Å; R8-F70 PolarHBondContact O-N 2.77Å; L10-F70 HydrophobicContact CD1-CB 4.5Å; C50-F70 VanDerWaalsContact SG-CZ 3.59Å; F54-F70 HydrophobicContact CB-CD2 4.26Å; F54-F70 HydrophobicContact CB-CE2 3.73Å; F54-F70 HydrophobicContact CB-CZ 3.93Å; F54-F70 HydrophobicContact CD1-CE2 4.45Å; F54-F70 AromaticContact CD2-CD2 3.31Å; F54-F70 HydrophobicContact CD2-CD2 3.31Å; F54-F70 AromaticContact CD2-CE2 2.97Å; F54-F70 HydrophobicContact CD2-CE2 2.97Å; F54-F70 AromaticContact CD2-CZ 3.99Å; F54-F70 HydrophobicContact CD2-CZ 3.99Å; F54-F70 AromaticContact CE2-CD2 3.95Å; F54-F70 HydrophobicContact CE2-CD2 3.95Å; F54-F70 AromaticContact CE2-CE2 3.57Å; F54-F70 HydrophobicContact CE2-CE2 3.57Å; F54-F70 HydrophobicContact CG-CD2 4.12Å; F54-F70 AromaticContact CG-CE2 3.48Å; F54-F70 HydrophobicContact CG-CE2 3.48Å; F54-F70 VanDerWaalsContact CG-CE2 3.48Å; F54-F70 HydrophobicContact CG-CZ 4.06Å; F70-L78 HydrophobicContact CB-CD2 4.44Å; F70-L78 HydrophobicContact CD2-CB 4.48Å; F70-L78 HydrophobicContact CD2-CD1 4.2Å; F70-L78 HydrophobicContact CD2-CD2 3.23Å; F70-L78 HydrophobicContact CD2-CG 4.14Å; F70-L78 HydrophobicContact CE1-CB 4.39Å; F70-L78 HydrophobicContact CE2-CB 4.24Å; F70-L78 HydrophobicContact CE2-CD1 3.39Å; F70-L78 HydrophobicContact CE2-CD2 3.37Å; F70-L78 HydrophobicContact CE2-CG 3.81Å; F70-L78 HydrophobicContact CG-CD2 3.86Å; F70-L78 HydrophobicContact CZ-CB 4.21Å; F70-L78 HydrophobicContact CZ-CD1 3.65Å; F70-L78 HydrophobicContact CZ-CD2 4.16Å; F70-L78 HydrophobicContact CZ-CG 4.2Å
71H82.2Confident85.2Confident71 Ų7154.3 Ų54.333%0.32927%0.268SS..EExtended strand (participates in β ladder)trans-73136.4174.5-167.774.5000111.4G73 F74 Y75H71-G73 PolarHBondContact CD2-N 3.31Å; H71-G73 PolarHBondContact O-N 3.07Å; H71-G73 VanDerWaalsContact O-N 3.14Å; H71-F74 HydrophobicContact CB-CD2 4.33Å; H71-F74 AromaticContact CD2-CD2 3.68Å; H71-F74 AromaticContact CD2-CE2 3.9Å; H71-F74 PolarHBondContact O-N 2.89Å; H71-Y75 PolarHBondContact O-N 3.37Å
72K77.9Confident85.3Confident102 Ų10253 Ų5344%0.44326%0.257SS..THydrogen-bonded Turntrans-57.1-29.1-177.4-178.8179.8177.1-179.20114I6 R8 F74 Y75I6-K72 HydrophobicContact CG2-CD 3.95Å; R8-K72 HydrophobicContact CG-CB 4.24Å; R8-K72 HydrophobicContact CG-CG 4.37Å; K72-F74 VanDerWaalsContact C-N 3.35Å; K72-Y75 VanDerWaalsContact O-CD1 3.23Å; K72-Y75 WeakPolarHBondContact O-CD1 3.41Å
73G76.6Confident85.4Confident54 Ų5450 Ų5056%0.55725%0.25SC*.THydrogen-bonded Turntrans-71.3-25178.100000114.7H71H71-G73 PolarHBondContact CD2-N 3.31Å; H71-G73 PolarHBondContact O-N 3.07Å; H71-G73 VanDerWaalsContact O-N 3.14Å
74F78.8Confident85.4Confident61 Ų6153.6 Ų53.627%0.26826%0.261SS..THydrogen-bonded Turntrans-126.96-164.1-57.1-70.2000114.4Y45 L49 H71 K72 K76 L77 L78Y45-F74 VanDerWaalsContact OH-CE1 3.28Å; Y45-F74 WeakPolarHBondContact OH-CE1 3.17Å; L49-F74 HydrophobicContact CD1-CB 4.16Å; L49-F74 HydrophobicContact CD1-CD1 3.42Å; L49-F74 VanDerWaalsContact CD1-CD1 3.42Å; L49-F74 HydrophobicContact CD1-CD2 4.33Å; L49-F74 HydrophobicContact CD1-CE1 3.83Å; L49-F74 HydrophobicContact CD1-CG 3.7Å; L49-F74 HydrophobicContact CD1-CZ 4.44Å; L49-F74 HydrophobicContact CD2-CD1 4.12Å; L49-F74 HydrophobicContact CD2-CD2 3.71Å; L49-F74 HydrophobicContact CD2-CE1 4.03Å; L49-F74 HydrophobicContact CD2-CE2 3.62Å; L49-F74 HydrophobicContact CD2-CG 3.96Å; L49-F74 HydrophobicContact CD2-CZ 3.78Å; L49-F74 HydrophobicContact CG-CD1 4.4Å; L49-F74 HydrophobicContact CG-CG 4.37Å; H71-F74 HydrophobicContact CB-CD2 4.33Å; H71-F74 AromaticContact CD2-CD2 3.68Å; H71-F74 AromaticContact CD2-CE2 3.9Å; H71-F74 PolarHBondContact O-N 2.89Å; K72-F74 VanDerWaalsContact C-N 3.35Å; F74-K76 PolarHBondContact O-N 3.49Å; F74-L77 HydrophobicContact CB-CD1 4.35Å; F74-L77 HydrophobicContact CD1-CD1 3.91Å; F74-L77 PolarHBondContact O-N 2.96Å; F74-L77 VanDerWaalsContact O-N 3.16Å; F74-L78 PolarHBondContact O-N 2.97Å
75Y84.1Confident85.5Confident53 Ų5353.7 Ų53.721%0.20826%0.261CS..Hα-helixtrans-60-28.3179.581.2-80.9000113.4R8 H71 K72 L78 W79 V104R8-Y75 HydrophobicContact CB-CG 4.47Å; R8-Y75 HydrophobicContact CG-CD1 4.15Å; R8-Y75 HydrophobicContact CG-CG 4.16Å; H71-Y75 PolarHBondContact O-N 3.37Å; K72-Y75 VanDerWaalsContact O-CD1 3.23Å; K72-Y75 WeakPolarHBondContact O-CD1 3.41Å; Y75-L78 PolarHBondContact O-N 3.11Å; Y75-W79 WeakPolarHBondContact O-CB 3.3Å; Y75-W79 PolarHBondContact O-N 3.36Å; Y75-V104 HydrophobicContact CD2-CG1 3.94Å; Y75-V104 HydrophobicContact CE2-CG1 4.15Å
76K85.4Confident85.4Confident141 Ų14155.9 Ų55.961%0.61328%0.276SS*.Hα-helixtrans-65-38.1177.6-67.5-175.4179-178.90112.5F74 L78 W79 S80F74-K76 PolarHBondContact O-N 3.49Å; K76-L78 VanDerWaalsContact C-N 3.35Å; K76-W79 PolarHBondContact O-N 3.01Å; K76-S80 PolarHBondContact O-N 3.16Å; K76-S80 PolarHBondContact O-OG 3.49Å
77L85.7Confident85.3Confident47 Ų4757.7 Ų57.725%0.24629%0.289CS..Hα-helixtrans-65.1-42.8177-64170.3000110.6H42 Y45 L49 F74 S80 A81H42-L77 WeakPolarHBondContact CE1-CD2 3.14Å; H42-L77 WeakPolarHBondContact ND1-CD2 3.45Å; H42-L77 PolarHBondContact NE2-O 3.19Å; Y45-L77 HydrophobicContact CE1-CD1 4.06Å; L49-L77 HydrophobicContact CD1-CD1 3.76Å; F74-L77 HydrophobicContact CB-CD1 4.35Å; F74-L77 HydrophobicContact CD1-CD1 3.91Å; F74-L77 PolarHBondContact O-N 2.96Å; F74-L77 VanDerWaalsContact O-N 3.16Å; L77-S80 PolarHBondContact O-OG 3.49Å; L77-A81 WeakPolarHBondContact O-CB 3.35Å; L77-A81 PolarHBondContact O-N 3.15Å; L77-A81 VanDerWaalsContact O-N 3.11Å
78L83.9Confident85.3Confident2 Ų254.1 Ų54.11%0.0127%0.273CS..Hα-helixtrans-62.3-47.2174.2-174.373.5000110.9L10 V34 V38 L68 F70 F74 Y75 K76 S80 A81 L82L10-L78 HydrophobicContact CD1-CD2 4.19Å; L10-L78 HydrophobicContact CD2-CD2 4.22Å; V34-L78 HydrophobicContact CG1-CD1 3.43Å; V34-L78 VanDerWaalsContact CG1-CD1 3.43Å; V38-L78 HydrophobicContact CG2-CD1 3.61Å; L68-L78 HydrophobicContact CD1-CD2 4.26Å; F70-L78 HydrophobicContact CB-CD2 4.44Å; F70-L78 HydrophobicContact CD2-CB 4.48Å; F70-L78 HydrophobicContact CD2-CD1 4.2Å; F70-L78 HydrophobicContact CD2-CD2 3.23Å; F70-L78 HydrophobicContact CD2-CG 4.14Å; F70-L78 HydrophobicContact CE1-CB 4.39Å; F70-L78 HydrophobicContact CE2-CB 4.24Å; F70-L78 HydrophobicContact CE2-CD1 3.39Å; F70-L78 HydrophobicContact CE2-CD2 3.37Å; F70-L78 HydrophobicContact CE2-CG 3.81Å; F70-L78 HydrophobicContact CG-CD2 3.86Å; F70-L78 HydrophobicContact CZ-CB 4.21Å; F70-L78 HydrophobicContact CZ-CD1 3.65Å; F70-L78 HydrophobicContact CZ-CD2 4.16Å; F70-L78 HydrophobicContact CZ-CG 4.2Å; F74-L78 PolarHBondContact O-N 2.97Å; Y75-L78 PolarHBondContact O-N 3.11Å; K76-L78 VanDerWaalsContact C-N 3.35Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.8Å; L78-A81 WeakPolarHBondContact O-CA 3.38Å; L78-A81 PolarHBondContact O-N 3.4Å; L78-L82 HydrophobicContact CD2-CD1 4.33Å; L78-L82 HydrophobicContact CG-CD1 4.08Å; L78-L82 HydrophobicContact CG-CG 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.05Å
79W86.4Confident85.2Confident140 Ų14060.2 Ų60.253%0.5330%0.302SS..Hα-helixtrans-61.6-38.8-176.8-17230.8000112.3L10 Y75 K76 A81 P83L10-W79 HydrophobicContact CD2-CB 4.3Å; Y75-W79 WeakPolarHBondContact O-CB 3.3Å; Y75-W79 PolarHBondContact O-N 3.36Å; K76-W79 PolarHBondContact O-N 3.01Å; W79-A81 VanDerWaalsContact C-N 3.31Å; W79-A81 PolarHBondContact O-N 2.89Å; W79-P83 VanDerWaalsContact O-CD 3.24Å; W79-P83 WeakPolarHBondContact O-CD 3.42Å
80S88.6Confident85.2Confident52 Ų5257.1 Ų57.136%0.36429%0.292SS..Hα-helixtrans-70-27.2173.372.80000112.9H42 K76 L77 L78 P83 F84H42-S80 PolarHBondContact CE1-OG 3.09Å; H42-S80 PolarHBondContact NE2-OG 3.37Å; K76-S80 PolarHBondContact O-N 3.16Å; K76-S80 PolarHBondContact O-OG 3.49Å; L77-S80 PolarHBondContact O-OG 3.49Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.8Å; S80-P83 WeakPolarHBondContact O-CD 3.23Å; S80-F84 WeakPolarHBondContact O-CD2 3.4Å; S80-F84 WeakPolarHBondContact O-CE2 3.48Å
81A88.6Confident85.2Confident1 Ų167.1 Ų67.11%0.00833%0.329CS..Hα-helixtrans-81.8-29.2179.300000114V38 L77 L78 W79 F84V38-A81 HydrophobicContact CB-CB 4.41Å; V38-A81 HydrophobicContact CG2-CB 3.68Å; L77-A81 WeakPolarHBondContact O-CB 3.35Å; L77-A81 PolarHBondContact O-N 3.15Å; L77-A81 VanDerWaalsContact O-N 3.11Å; L78-A81 WeakPolarHBondContact O-CA 3.38Å; L78-A81 PolarHBondContact O-N 3.4Å; W79-A81 VanDerWaalsContact C-N 3.31Å; W79-A81 PolarHBondContact O-N 2.89Å; A81-F84 WeakPolarHBondContact O-CB 3.38Å; A81-F84 PolarHBondContact O-N 2.99Å; A81-F84 VanDerWaalsContact O-N 3.09Å
82L86.9Confident85.1Confident1 Ų166.8 Ų66.81%0.00535%0.345CS..G310 helixtrans-52.5-47.8-178.9-79.3157.6000115L10 L68 L78 F84 I85 L99 C101L10-L82 HydrophobicContact CD2-CD1 3.89Å; L68-L82 HydrophobicContact CD1-CD2 3.96Å; L78-L82 HydrophobicContact CD2-CD1 4.33Å; L78-L82 HydrophobicContact CG-CD1 4.08Å; L78-L82 HydrophobicContact CG-CG 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.05Å; L82-F84 PolarHBondContact O-N 3.39Å; L82-I85 HydrophobicContact CD2-CD1 4.04Å; L82-I85 WeakPolarHBondContact O-CB 3.32Å; L82-I85 PolarHBondContact O-N 3.39Å; L82-I85 VanDerWaalsContact O-N 3.13Å; L82-L99 HydrophobicContact CD2-CB 4Å; L82-L99 HydrophobicContact CD2-CD2 3.63Å; L82-L99 HydrophobicContact CD2-CG 4.47Å; L82-C101 WeakPolarHBondContact CD1-SG 3.39Å
83P86.4Confident85.4Confident79 Ų7966.9 Ų66.951%0.51335%0.347SS..G310 helixtrans-67.4-17179.726.8-35.9000113.7W79 S80 I85W79-P83 VanDerWaalsContact O-CD 3.24Å; W79-P83 WeakPolarHBondContact O-CD 3.42Å; S80-P83 WeakPolarHBondContact O-CD 3.23Å; P83-I85 VanDerWaalsContact C-N 3.27Å
84F86.9Confident85.9Confident131 Ų13170.1 Ų70.158%0.57535%0.35SS*.G310 helixtrans-82.3-4.5176.4-63.2-71.7000113.2T41 S80 A81 L82 T86T41-F84 HydrophobicContact CG2-CD2 4.24Å; T41-F84 HydrophobicContact CG2-CE2 4.25Å; S80-F84 WeakPolarHBondContact O-CD2 3.4Å; S80-F84 WeakPolarHBondContact O-CE2 3.48Å; A81-F84 WeakPolarHBondContact O-CB 3.38Å; A81-F84 PolarHBondContact O-N 2.99Å; A81-F84 VanDerWaalsContact O-N 3.09Å; L82-F84 PolarHBondContact O-N 3.39Å; F84-T86 PolarHBondContact O-N 3.21Å
85I88.8Confident86.3Confident1 Ų167.4 Ų67.41%0.00534%0.338CS..  trans-77.2108.5171.8-57.3162.6000107.6V34 A37 L82 P83 I88 L99V34-I85 HydrophobicContact CB-CD1 4.39Å; V34-I85 HydrophobicContact CG2-CD1 3.76Å; A37-I85 HydrophobicContact CB-CD1 4.14Å; A37-I85 HydrophobicContact CB-CG1 3.34Å; L82-I85 HydrophobicContact CD2-CD1 4.04Å; L82-I85 WeakPolarHBondContact O-CB 3.32Å; L82-I85 PolarHBondContact O-N 3.39Å; L82-I85 VanDerWaalsContact O-N 3.13Å; P83-I85 VanDerWaalsContact C-N 3.27Å; I85-I88 HydrophobicContact CG2-CG1 4.33Å; I85-L99 HydrophobicContact CB-CD1 4.03Å; I85-L99 HydrophobicContact CD1-CB 4.43Å; I85-L99 HydrophobicContact CD1-CD1 4.11Å; I85-L99 HydrophobicContact CD1-CD2 3.91Å; I85-L99 HydrophobicContact CD1-CG 4.37Å; I85-L99 HydrophobicContact CG2-CD1 3.68Å
86T88.3Confident86.6Confident78 Ų7868.1 Ų68.148%0.47935%0.35SS..  trans-105.8-15.9177.954.70000112.8F84 P96 C97 F98F84-T86 PolarHBondContact O-N 3.21Å; T86-P96 WeakPolarHBondContact O-CA 3.24Å; T86-C97 CarbonylContact C-O 3.58Å; T86-C97 VanDerWaalsContact CA-O 3.31Å; T86-C97 WeakPolarHBondContact CA-O 3.28Å; T86-C97 PolarHBondContact O-N 3.35Å; T86-C97 VanDerWaalsContact O-O 3.09Å; T86-F98 HydrophobicContact CG2-CE1 4Å
87S88.9Confident86.7Confident38 Ų3861.4 Ų61.427%0.26632%0.32SS..EExtended strand (participates in β ladder)trans-154.1149.6176.661.80000112.2I95S87-I95 CarbonylContact C-O 3.54Å; S87-I95 VanDerWaalsContact CA-O 3.23Å; S87-I95 WeakPolarHBondContact CA-O 3.4Å; S87-I95 WeakPolarHBondContact CB-O 3.38Å
88I89.9Confident86.9Confident1 Ų164.8 Ų64.81%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-115.6128.8172.4-70.6169.1000108.3I14 L25 A29 V30 S33 I85 I95 C97 L99I14-I88 HydrophobicContact CD1-CD1 4.23Å; L25-I88 HydrophobicContact CD2-CB 3.93Å; L25-I88 HydrophobicContact CD2-CD1 3.89Å; L25-I88 HydrophobicContact CD2-CG2 3.46Å; L25-I88 VanDerWaalsContact CD2-CG2 3.46Å; A29-I88 HydrophobicContact CB-CG2 4.02Å; V30-I88 HydrophobicContact CG2-CD1 4.18Å; S33-I88 WeakPolarHBondContact OG-CA 3.4Å; S33-I88 WeakPolarHBondContact OG-CG2 3.08Å; I85-I88 HydrophobicContact CG2-CG1 4.33Å; I88-I95 PolarHBondContact N-O 3.12Å; I88-I95 PolarHBondContact O-N 3.5Å; I88-C97 WeakPolarHBondContact CD1-SG 3.48Å; I88-C97 WeakPolarHBondContact CG1-SG 3.07Å; I88-L99 HydrophobicContact CD1-CD1 4.18Å
89E86.8Confident87.2Confident129 Ų12965 Ų6560%0.60334%0.335SS*.EExtended strand (participates in β ladder)trans-88.1118.8171.3-167.9-174.1145.500109.5A29 Q93A29-E89 WeakPolarHBondContact CB-O 3.46Å; E89-Q93 WeakPolarHBondContact CA-O 3.37Å
90C86.1Confident87.3Confident8 Ų862.5 Ų62.55%0.05433%0.331CS..EExtended strand (participates in β ladder)trans-132.8124.9176.1-165.40000110.5K24 A29 G92 Q93 I95K24-C90 PolarHBondContact O-SG 3.46Å; A29-C90 HydrophobicContact CB-CB 3.73Å; A29-C90 VanDerWaalsContact CB-SG 3.57Å; C90-G92 PolarHBondContact O-N 2.91Å; C90-G92 VanDerWaalsContact O-N 3.15Å; C90-Q93 PolarHBondContact N-O 3.34Å; C90-Q93 PolarHBondContact O-N 3.09Å; C90-I95 HydrophobicContact CB-CD1 4.2Å
91R82.3Confident87.3Confident219 Ų21961.3 Ų61.383%0.82632%0.323SS*.THydrogen-bonded Turntrans51.736.6177.8-57.3179.4-178.9-160.50.3113.6Q93R91-Q93 VanDerWaalsContact C-N 3.3Å; R91-Q93 PolarHBondContact O-N 3.45Å
92G80.3Confident87.2Confident64 Ų6465.4 Ų65.466%0.6634%0.344SS*.THydrogen-bonded Turntrans77.67.7-178.500000115.1C90C90-G92 PolarHBondContact O-N 2.91Å; C90-G92 VanDerWaalsContact O-N 3.15Å
93Q83.9Confident87Confident105 Ų10570.9 Ų70.949%0.49137%0.369SS..EExtended strand (participates in β ladder)trans-106.9135.6171.2-64.3-175.42.200110.1E89 C90 R91E89-Q93 WeakPolarHBondContact CA-O 3.37Å; C90-Q93 PolarHBondContact N-O 3.34Å; C90-Q93 PolarHBondContact O-N 3.09Å; R91-Q93 VanDerWaalsContact C-N 3.3Å; R91-Q93 PolarHBondContact O-N 3.45Å
94I87.1Confident86.8Confident121 Ų12169.4 Ų69.462%0.62136%0.359SS*.EExtended strand (participates in β ladder)trans-92.2110.4173.6-56.4177.2000107.6
95I88.5Confident86.2Confident4 Ų463.9 Ų63.92%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-96.9115178.5-61.8167.4000107.6V16 D21 K24 L25 S87 I88 C90 C97V16-I95 HydrophobicContact CG1-CG2 3.51Å; D21-I95 HydrophobicContact CB-CD1 4.33Å; D21-I95 HydrophobicContact CB-CG1 4.36Å; D21-I95 HydrophobicContact CB-CG2 3.63Å; K24-I95 HydrophobicContact CB-CD1 4.03Å; L25-I95 HydrophobicContact CD2-CD1 4.1Å; L25-I95 HydrophobicContact CG-CD1 4.43Å; S87-I95 CarbonylContact C-O 3.54Å; S87-I95 VanDerWaalsContact CA-O 3.23Å; S87-I95 WeakPolarHBondContact CA-O 3.4Å; S87-I95 WeakPolarHBondContact CB-O 3.38Å; I88-I95 PolarHBondContact N-O 3.12Å; I88-I95 PolarHBondContact O-N 3.5Å; C90-I95 HydrophobicContact CB-CD1 4.2Å; I95-C97 PolarHBondContact O-N 2.9Å
96P88.5Confident85Confident69 Ų6965 Ų6545%0.44835%0.35SS..EExtended strand (participates in β ladder)trans-70.6119.9176.128.7-32.2000109.6V16 T86V16-P96 VanDerWaalsContact CG1-O 3.25Å; V16-P96 WeakPolarHBondContact CG1-O 3.26Å; T86-P96 WeakPolarHBondContact O-CA 3.24Å
97C88.8Confident83.1Confident0 Ų069.2 Ų69.20%037%0.365CS..EExtended strand (participates in β ladder)trans-154.5153.2-177.662.60000112I14 N15 V16 T86 I88 I95I14-C97 HydrophobicContact CG2-CB 3.77Å; N15-C97 CarbonylContact O-C 3.55Å; N15-C97 WeakPolarHBondContact O-CA 3.45Å; N15-C97 WeakPolarHBondContact O-CB 3.38Å; V16-C97 HydrophobicContact CB-CB 4.49Å; V16-C97 HydrophobicContact CG1-CB 4.15Å; V16-C97 HydrophobicContact CG2-CB 4.1Å; T86-C97 CarbonylContact C-O 3.58Å; T86-C97 VanDerWaalsContact CA-O 3.31Å; T86-C97 WeakPolarHBondContact CA-O 3.28Å; T86-C97 PolarHBondContact O-N 3.35Å; T86-C97 VanDerWaalsContact O-O 3.09Å; I88-C97 WeakPolarHBondContact CD1-SG 3.48Å; I88-C97 WeakPolarHBondContact CG1-SG 3.07Å; I95-C97 PolarHBondContact O-N 2.9Å
98F90.3Very high80.9Confident118 Ų11875.4 Ų75.452%0.51840%0.401SS..EExtended strand (participates in β ladder)trans-114.7140.1175.6-66.9-83.7000110.5I14 N15 T86I14-F98 CarbonylContact C-O 3.42Å; I14-F98 WeakPolarHBondContact CA-O 3.34Å; N15-F98 HydrophobicContact CB-CB 4.48Å; N15-F98 PolarHBondContact N-O 3.22Å; N15-F98 PolarHBondContact O-N 3.4Å; T86-F98 HydrophobicContact CG2-CE1 4Å
99L89.4Confident80.5Confident7 Ų779.2 Ų79.24%0.03742%0.42CS..EExtended strand (participates in β ladder)trans-101.1112.5172.3-83.377.2000109.9E13 I14 V34 L82 I85 I88E13-L99 CarbonylContact O-C 3.48Å; E13-L99 WeakPolarHBondContact O-CA 3.26Å; I14-L99 HydrophobicContact CG1-CD1 4.32Å; I14-L99 HydrophobicContact CG1-CG 4.1Å; V34-L99 HydrophobicContact CG2-CD2 4.1Å; L82-L99 HydrophobicContact CD2-CB 4Å; L82-L99 HydrophobicContact CD2-CD2 3.63Å; L82-L99 HydrophobicContact CD2-CG 4.47Å; I85-L99 HydrophobicContact CB-CD1 4.03Å; I85-L99 HydrophobicContact CD1-CB 4.43Å; I85-L99 HydrophobicContact CD1-CD1 4.11Å; I85-L99 HydrophobicContact CD1-CD2 3.91Å; I85-L99 HydrophobicContact CD1-CG 4.37Å; I85-L99 HydrophobicContact CG2-CD1 3.68Å; I88-L99 HydrophobicContact CD1-CD1 4.18Å
100N88.6Confident80.2Confident87 Ų8776.5 Ų76.547%0.46541%0.411SS..EExtended strand (participates in β ladder)trans-95.2129.6172.3-170.427.3000110.4C12 E13 L102C12-N100 CarbonylContact C-O 3.59Å; C12-N100 WeakPolarHBondContact CA-O 3.44Å; E13-N100 PolarHBondContact N-O 3.46Å; E13-N100 PolarHBondContact O-N 3.4Å; N100-L102 PolarHBondContact O-N 3.37Å
101C87.4Confident79.8Confident26 Ų2680.3 Ų80.318%0.17643%0.43CS..EExtended strand (participates in β ladder)trans-83.5115.3172.9-90.30000110.5C12 L82C12-C101 PolarHBondContact SG-SG 2.91Å; L82-C101 WeakPolarHBondContact CD1-SG 3.39Å
102L86.9Confident79.7Confident88 Ų8872.2 Ų72.246%0.46141%0.407SS..EExtended strand (participates in β ladder)trans-88.2-41.9177-64.8179.2000111.9L11 E13 I65 N100L11-L102 HydrophobicContact CD2-CB 4.25Å; L11-L102 HydrophobicContact CG-CB 4.28Å; L11-L102 PolarHBondContact O-N 3.23Å; E13-L102 HydrophobicContact CB-CD1 3.91Å; E13-L102 HydrophobicContact CB-CG 4.16Å; I65-L102 HydrophobicContact CD1-CD1 3.91Å; N100-L102 PolarHBondContact O-N 3.37Å
103H83.9Confident79.7Confident116 Ų11672.7 Ų72.754%0.53739%0.391SS..EExtended strand (participates in β ladder)trans-151.2143.3-174.2-175.379000112.1L10 L11 G105L10-H103 WeakPolarHBondContact CA-O 3.48Å; L11-H103 HydrophobicContact CB-CB 3.93Å; L11-H103 HydrophobicContact CD2-CB 4.23Å; L11-H103 PolarHBondContact N-O 3.15Å; L11-H103 PolarHBondContact O-N 2.84Å; H103-G105 PolarHBondContact CD2-N 2.89Å
104V81Confident79.4Confident47 Ų4770.5 Ų70.529%0.28539%0.385SS..EExtended strand (participates in β ladder)trans-116.499.3171.7-1750000108Y9 L10 Y75Y9-V104 CarbonylContact O-C 3.54Å; Y9-V104 WeakPolarHBondContact O-CA 3.28Å; L10-V104 HydrophobicContact CD1-CG1 4.47Å; L10-V104 HydrophobicContact CD2-CG2 4.13Å; L10-V104 HydrophobicContact CG-CG1 4.21Å; L10-V104 HydrophobicContact CG-CG2 4.07Å; Y75-V104 HydrophobicContact CD2-CG1 3.94Å; Y75-V104 HydrophobicContact CE2-CG1 4.15Å
105G74.2Confident78.8Confident15 Ų1566.9 Ų66.916%0.15537%0.368CS..EExtended strand (participates in β ladder)trans-92.6158.4175.700000112R8 Y9 H103R8-G105 CarbonylContact C-O 3.03Å; R8-G105 WeakPolarHBondContact CA-O 3.38Å; Y9-G105 PolarHBondContact N-O 3.48Å; Y9-G105 PolarHBondContact O-N 3.21Å; H103-G105 PolarHBondContact CD2-N 2.89Å
106G63.4Low78.1Confident24 Ų2471.8 Ų71.825%0.24740%0.395CS..  trans-167.3110.5166.900000107.6
107E48.6Very low77.2Confident168 Ų16872 Ų7279%0.78539%0.39SS*.  trans-67.9135.2172.2-80.8-173.714300109.4
108V44.2Very low76.2Confident168 Ų16878.5 Ų78.5100%1.01843%0.426SS*.  trans-75.50-176.5-171.80000109.8I6I6-V108 WeakPolarHBondContact CD1-OXT 3.08Å

Retrieved 108 of 108 residues in 67.3 ms (Link to these results)

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