A0A096NF95_PAPAN Loading...

Eukaryotic translation initiation factor 2D

Translation initiation factor that is able to deliver tRNA to the P-site of the eukaryotic ribosome in a GTP-independent manner. The binding of Met-tRNA(I) occurs after the AUG codon finds its position in the P-site of 40S ribosomes, the situation that takes place during initiation complex formation on some specific RNAs. Its activity in tRNA binding with 40S subunits does not require the presence of the aminoacyl moiety. Possesses the unique ability to deliver non-Met (elongator) tRNAs into the P-site of the 40S subunit. In addition to its role in initiation, can promote release of deacylated tRNA and mRNA from recycled 40S subunits following ABCE1-mediated dissociation of post-termination ribosomal complexes into subunits.

AlphaFold DB , UniProt , Accession A0A096NF95, Species PAPAN (Papio anubis, Olive baboon), Gene EIF2D, Length 584 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
1M79.3Confident83.2Confident60 Ų6080.5 Ų80.530%0.29641%0.413SS..  0-64.50-161.9-176.1-16900112.8A3 D59 V61 F73 L75 V168 L169M1-A3 VanDerWaalsContact C-N 3.25Å; M1-A3 PolarHBondContact O-N 3.42Å; M1-A3 VanDerWaalsContact O-N 3.12Å; M1-D59 HydrophobicContact CE-CB 4.41Å; M1-V61 HydrophobicContact CE-CG1 4.4Å; M1-V61 HydrophobicContact CE-CG2 3.38Å; M1-V61 HydrophobicContact SD-CG2 4.48Å; M1-F73 HydrophobicContact SD-CE2 4.5Å; M1-L75 HydrophobicContact CE-CD1 3.78Å; M1-L75 HydrophobicContact CE-CD2 3.7Å; M1-L75 HydrophobicContact CE-CG 4.23Å; M1-L75 HydrophobicContact SD-CD2 4.09Å; M1-V168 PolarHBondContact N-O 3.18Å; M1-L169 VanDerWaalsContact CA-O 3.23Å; M1-L169 WeakPolarHBondContact CA-O 3.44Å; M1-L169 WeakPolarHBondContact CB-O 3.32Å; M1-L169 PolarHBondContact N-O 3.33Å
2F83.2Confident83.5Confident3 Ų380.6 Ų80.61%0.01342%0.42CS..  trans-84.326.8-171.1-48.8-85.5000115.5K4 F6 L53 V61 F73 H170 D174 H175 L176F2-K4 PolarHBondContact O-N 3.3Å; F2-F6 HydrophobicContact CB-CD1 4.43Å; F2-F6 HydrophobicContact CB-CE1 4.41Å; F2-F6 AromaticContact CD1-CD1 3.8Å; F2-F6 HydrophobicContact CD1-CD1 3.8Å; F2-F6 AromaticContact CD1-CE1 3.93Å; F2-F6 HydrophobicContact CD1-CE1 3.93Å; F2-L53 HydrophobicContact CE1-CD1 4.37Å; F2-V61 HydrophobicContact CE1-CG1 4.23Å; F2-V61 HydrophobicContact CE1-CG2 4.48Å; F2-V61 HydrophobicContact CZ-CG1 4.03Å; F2-F73 HydrophobicContact CE2-CD1 4.37Å; F2-F73 HydrophobicContact CE2-CD2 4.06Å; F2-F73 HydrophobicContact CE2-CE1 4.29Å; F2-F73 AromaticContact CE2-CE2 3.98Å; F2-F73 HydrophobicContact CE2-CE2 3.98Å; F2-F73 HydrophobicContact CE2-CG 4.25Å; F2-F73 HydrophobicContact CE2-CZ 4.1Å; F2-F73 AromaticContact CZ-CD2 3.91Å; F2-F73 HydrophobicContact CZ-CD2 3.91Å; F2-F73 HydrophobicContact CZ-CE2 4.25Å; F2-F73 HydrophobicContact CZ-CG 4.13Å; F2-H170 HydrophobicContact CD2-CB 4.24Å; F2-H170 HydrophobicContact CE2-CB 4.37Å; F2-D174 HydrophobicContact CB-CB 4.38Å; F2-H175 WeakPolarHBondContact O-CB 3.22Å; F2-H175 PolarHBondContact O-CD2 3.33Å; F2-H175 PolarHBondContact O-N 3.1Å; F2-L176 HydrophobicContact CB-CB 3.97Å; F2-L176 HydrophobicContact CD1-CB 4.13Å; F2-L176 HydrophobicContact CD2-CB 3.87Å; F2-L176 HydrophobicContact CD2-CD2 3.83Å; F2-L176 HydrophobicContact CD2-CG 4.49Å; F2-L176 HydrophobicContact CE1-CD2 4.35Å; F2-L176 HydrophobicContact CE2-CB 4.41Å; F2-L176 HydrophobicContact CE2-CD2 3.55Å; F2-L176 HydrophobicContact CG-CB 3.72Å; F2-L176 HydrophobicContact CG-CD2 4.37Å; F2-L176 HydrophobicContact CZ-CD2 3.82Å
3A80.4Confident83.9Confident42 Ų4279.1 Ų79.135%0.34743%0.426SS..SBendtrans-70.5-7.9-179.400000114.2M1M1-A3 VanDerWaalsContact C-N 3.25Å; M1-A3 PolarHBondContact O-N 3.42Å; M1-A3 VanDerWaalsContact O-N 3.12Å
4K81.6Confident84.1Confident110 Ų11075.3 Ų75.348%0.47841%0.405SS..SBendtrans-126.5153173.8-67.3-175.8178.6-178.50110.1F2 F6 Y56F2-K4 PolarHBondContact O-N 3.3Å; K4-F6 PolarHBondContact O-N 2.87Å; K4-Y56 HydrophobicContact CB-CD2 4.46Å; K4-Y56 HydrophobicContact CB-CG 4.25Å; K4-Y56 HydrophobicContact CD-CD1 3.63Å; K4-Y56 HydrophobicContact CD-CD2 3.9Å; K4-Y56 HydrophobicContact CD-CE1 3.98Å; K4-Y56 HydrophobicContact CD-CE2 4.23Å; K4-Y56 HydrophobicContact CD-CG 3.59Å; K4-Y56 VanDerWaalsContact NZ-CE1 3.34Å
5A79Confident84.3Confident64 Ų6480.3 Ų80.353%0.52942%0.422SS..  trans-54.5123.1175.200000111.3H175A5-H175 PolarHBondContact N-CD2 3.24Å; A5-H175 VanDerWaalsContact N-CD2 3.34Å; A5-H175 PolarHBondContact N-NE2 2.85Å
6F83.9Confident84.2Confident40 Ų4078.6 Ų78.618%0.17543%0.43CS..  trans-96.4164.7173.752.1-106.2000110.8F2 K4 L53 Y54 H175 L176F2-F6 HydrophobicContact CB-CD1 4.43Å; F2-F6 HydrophobicContact CB-CE1 4.41Å; F2-F6 AromaticContact CD1-CD1 3.8Å; F2-F6 HydrophobicContact CD1-CD1 3.8Å; F2-F6 AromaticContact CD1-CE1 3.93Å; F2-F6 HydrophobicContact CD1-CE1 3.93Å; K4-F6 PolarHBondContact O-N 2.87Å; F6-L53 HydrophobicContact CD1-CD1 4.39Å; F6-L53 HydrophobicContact CD2-CB 4.38Å; F6-L53 HydrophobicContact CD2-CD1 3.71Å; F6-L53 HydrophobicContact CD2-CD2 3.69Å; F6-L53 HydrophobicContact CD2-CG 4.14Å; F6-L53 HydrophobicContact CE1-CD1 4.25Å; F6-L53 HydrophobicContact CE2-CD1 3.57Å; F6-L53 HydrophobicContact CE2-CD2 3.68Å; F6-L53 HydrophobicContact CE2-CG 4.23Å; F6-L53 HydrophobicContact CG-CD1 4.11Å; F6-L53 HydrophobicContact CZ-CD1 3.85Å; F6-Y54 WeakPolarHBondContact CB-O 3.48Å; F6-H175 HydrophobicContact CD1-CB 3.9Å; F6-H175 VanDerWaalsContact CE1-C 3.49Å; F6-H175 HydrophobicContact CE1-CB 3.64Å; F6-L176 HydrophobicContact CE1-CB 4.26Å
7R81.6Confident84.2Confident209 Ų20977.9 Ų77.979%0.78943%0.432SS*.EExtended strand (participates in β ladder)trans-107.2130.9174.8-69.3-177.9175.6179.4-2.1110.4L53 Y54R7-L53 WeakPolarHBondContact O-CA 3.37Å; R7-Y54 PolarHBondContact N-O 3.06Å; R7-Y54 PolarHBondContact O-N 3.47Å
8V85.6Confident84.3Confident89 Ų8977 Ų7754%0.53943%0.427SS..EExtended strand (participates in β ladder)trans-75.3122.2169.4-176.50000108.5V51 L53V8-V51 HydrophobicContact CG1-CG1 3.67Å; V8-V51 HydrophobicContact CG2-CG1 4.33Å; V8-L53 HydrophobicContact CB-CD2 4.21Å; V8-L53 HydrophobicContact CG1-CD2 4.43Å; V8-L53 HydrophobicContact CG2-CD2 3.7Å
9K85.9Confident84.3Confident133 Ų13374.9 Ų74.958%0.57841%0.412SS*.EExtended strand (participates in β ladder)trans-85.8-45.2175.5-169.6-166.7-165.8164.30111.5K52 Y54K9-K52 HydrophobicContact CB-CB 4.46Å; K9-K52 WeakPolarHBondContact CB-O 3.32Å; K9-K52 PolarHBondContact N-O 3.14Å; K9-Y54 HydrophobicContact CB-CD2 4.16Å; K9-Y54 HydrophobicContact CB-CE2 4.19Å; K9-Y54 HydrophobicContact CD-CD2 4.29Å; K9-Y54 HydrophobicContact CD-CE2 3.48Å; K9-Y54 VanDerWaalsContact CD-CE2 3.48Å; K9-Y54 HydrophobicContact CG-CD2 4.34Å; K9-Y54 HydrophobicContact CG-CE2 3.93Å; K9-Y54 PolarHBondContact NZ-OH 2.86Å
10S86.8Confident84.4Confident41 Ų4181.3 Ų81.329%0.28743%0.429SS..EExtended strand (participates in β ladder)trans-159.1142.4-177.758.90000110.2K52S10-K52 PolarHBondContact N-O 3.27Å; S10-K52 PolarHBondContact O-N 2.87Å
11N88.1Confident84.5Confident95 Ų9583.5 Ų83.551%0.50844%0.435SS..EExtended strand (participates in β ladder)trans-106.9139162.3-171.34.7000108.1N49N11-N49 WeakPolarHBondContact OD1-CB 3.43Å
12T87.3Confident84.9Confident81 Ų8180.8 Ų80.850%0.49742%0.422SS..EExtended strand (participates in β ladder)trans-150.7121.5-176.4-540000110.5I14 I50T12-I14 PolarHBondContact O-N 3.04Å; T12-I50 PolarHBondContact N-O 3.19Å; T12-I50 PolarHBondContact O-N 2.9Å
13A88.1Confident85Confident61 Ų6184.2 Ų84.250%0.50444%0.435SS..EExtended strand (participates in β ladder)trans-58.7135.7174.200000111.2N49A13-N49 WeakPolarHBondContact CA-OD1 3.31Å; A13-N49 PolarHBondContact N-OD1 2.93Å
14I87.3Confident85.4Confident26 Ų2684.7 Ų84.713%0.13344%0.439CS..PPolyproline II helixtrans-72.9139.1-176.8-159.7166.1000111T12 D18 R19 L22 L48 I50 Y64T12-I14 PolarHBondContact O-N 3.04Å; I14-D18 HydrophobicContact CD1-CB 4.38Å; I14-D18 HydrophobicContact CG1-CB 3.96Å; I14-R19 HydrophobicContact CD1-CB 3.93Å; I14-R19 HydrophobicContact CD1-CG 4.49Å; I14-R19 HydrophobicContact CG1-CB 4.09Å; I14-R19 HydrophobicContact CG2-CB 3.9Å; I14-R19 HydrophobicContact CG2-CG 4.16Å; I14-L22 HydrophobicContact CD1-CD2 4.1Å; I14-L48 HydrophobicContact CB-CB 4.32Å; I14-L48 HydrophobicContact CG2-CB 3.41Å; I14-L48 VanDerWaalsContact CG2-CB 3.41Å; I14-L48 WeakPolarHBondContact CG2-O 3.4Å; I14-L48 PolarHBondContact N-O 2.95Å; I14-I50 HydrophobicContact CB-CD1 4.35Å; I14-I50 HydrophobicContact CB-CG1 4.29Å; I14-I50 HydrophobicContact CD1-CD1 3.87Å; I14-I50 HydrophobicContact CD1-CG1 4.21Å; I14-I50 HydrophobicContact CG1-CD1 3.85Å; I14-I50 HydrophobicContact CG1-CG1 4.27Å; I14-Y64 HydrophobicContact CD1-CE1 4.5Å
15K86.1Confident85.6Confident150 Ų15083.5 Ų83.565%0.65244%0.438SS*.PPolyproline II helixtrans-80.3151.1171.9-66.2-178.8179.4-179.90110.4S17 D18 R19K15-S17 PolarHBondContact O-N 3.33Å; K15-S17 VanDerWaalsContact O-N 3.11Å; K15-D18 PolarHBondContact O-N 2.96Å; K15-R19 WeakPolarHBondContact O-CB 3.34Å; K15-R19 PolarHBondContact O-N 2.9Å
16G83.6Confident86Confident54 Ų5480.4 Ų80.456%0.55741%0.412SS*.Hα-helixtrans-56.2-29.5-179.900000114.6R20G16-R20 WeakPolarHBondContact O-CG 3.35Å; G16-R20 PolarHBondContact O-N 3.42Å
17S84.4Confident86.1Confident67 Ų6781.9 Ų81.947%0.46942%0.424SS..Hα-helixtrans-65.2-48.8172.753.30000112.5K15 R19 R20 K21K15-S17 PolarHBondContact O-N 3.33Å; K15-S17 VanDerWaalsContact O-N 3.11Å; S17-R19 VanDerWaalsContact C-N 3.31Å; S17-R20 PolarHBondContact O-N 2.91Å; S17-K21 PolarHBondContact O-N 2.98Å
18D85Confident86.2Confident61 Ų6177.5 Ų77.533%0.32642%0.421SS..Hα-helixtrans-76.3-28.7-172.9-52.4-30.2000110.2I14 K15 K21 L22I14-D18 HydrophobicContact CD1-CB 4.38Å; I14-D18 HydrophobicContact CG1-CB 3.96Å; K15-D18 PolarHBondContact O-N 2.96Å; D18-K21 WeakPolarHBondContact O-CB 3.45Å; D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 IonicContact OD1-NZ 3.97Å; D18-L22 WeakPolarHBondContact O-CB 3.23Å; D18-L22 PolarHBondContact O-N 3.17Å
19R85.2Confident86Confident38 Ų3875.7 Ų75.714%0.14342%0.415CS..Hα-helixtrans-69.1-32.7171.3-170168.6160.7-130.3-33.4113.6I14 K15 S17 R23 V42 P43 G44I14-R19 HydrophobicContact CD1-CB 3.93Å; I14-R19 HydrophobicContact CD1-CG 4.49Å; I14-R19 HydrophobicContact CG1-CB 4.09Å; I14-R19 HydrophobicContact CG2-CB 3.9Å; I14-R19 HydrophobicContact CG2-CG 4.16Å; K15-R19 WeakPolarHBondContact O-CB 3.34Å; K15-R19 PolarHBondContact O-N 2.9Å; S17-R19 VanDerWaalsContact C-N 3.31Å; R19-R23 WeakPolarHBondContact O-CG 3.49Å; R19-R23 PolarHBondContact O-N 3.31Å; R19-V42 HydrophobicContact CG-CG1 3.81Å; R19-V42 PolarHBondContact NH2-O 2.95Å; R19-P43 PolarHBondContact NH1-O 3.11Å; R19-P43 PolarHBondContact NH2-O 3.4Å; R19-G44 PolarHBondContact NH1-O 3.3Å; R19-G44 PolarHBondContact NH2-O 2.78Å
20R86.1Confident85.9Confident202 Ų20269.9 Ų69.976%0.76239%0.39SS*.Hα-helixtrans-68.6-39.7170.7-74.7175.4-175.6-1711111.4G16 S17 R23 A24G16-R20 WeakPolarHBondContact O-CG 3.35Å; G16-R20 PolarHBondContact O-N 3.42Å; S17-R20 PolarHBondContact O-N 2.91Å; R20-R23 PolarHBondContact O-N 2.95Å; R20-A24 PolarHBondContact O-N 3.26Å
21K86.9Confident85.3Confident127 Ų12773.2 Ų73.255%0.55241%0.411SS*.Hα-helixtrans-60.8-53.4172.8-66.2174.7-178.1170.60111.2S17 D18 R23 A24 D25S17-K21 PolarHBondContact O-N 2.98Å; D18-K21 WeakPolarHBondContact O-CB 3.45Å; D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 IonicContact OD1-NZ 3.97Å; K21-R23 PolarHBondContact O-N 3.03Å; K21-R23 VanDerWaalsContact O-N 3.14Å; K21-A24 CarbonylContact O-C 3.57Å; K21-A24 WeakPolarHBondContact O-CA 3.22Å; K21-A24 WeakPolarHBondContact O-CB 3.25Å; K21-A24 PolarHBondContact O-N 2.78Å; K21-D25 VanDerWaalsContact C-OD2 3.31Å; K21-D25 PolarHBondContact O-N 3.04Å; K21-D25 VanDerWaalsContact O-OD2 3.13Å
22L86.4Confident84.5Confident4 Ų473.2 Ų73.22%0.02142%0.415CS..Hα-helixtrans-52.4-41.3178.5-179.163.9000112.8I14 D18 D25 V26 L48 Y64 L79I14-L22 HydrophobicContact CD1-CD2 4.1Å; D18-L22 WeakPolarHBondContact O-CB 3.23Å; D18-L22 PolarHBondContact O-N 3.17Å; L22-D25 PolarHBondContact O-N 2.97Å; L22-V26 HydrophobicContact CD1-CG2 4.3Å; L22-V26 HydrophobicContact CG-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CB 3.42Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 2.91Å; L22-L48 HydrophobicContact CD2-CD2 3.94Å; L22-Y64 HydrophobicContact CD1-CD1 4.14Å; L22-Y64 HydrophobicContact CD1-CD2 4.2Å; L22-Y64 HydrophobicContact CD1-CE1 3.78Å; L22-Y64 HydrophobicContact CD1-CE2 3.86Å; L22-Y64 HydrophobicContact CD1-CG 4.33Å; L22-Y64 HydrophobicContact CD2-CD1 3.45Å; L22-Y64 VanDerWaalsContact CD2-CD1 3.45Å; L22-Y64 HydrophobicContact CD2-CE1 3.71Å; L22-Y64 HydrophobicContact CD2-CG 3.95Å; L22-Y64 HydrophobicContact CG-CD1 4.42Å; L22-Y64 HydrophobicContact CG-CE1 4.29Å; L22-L79 HydrophobicContact CD1-CD1 4.24Å; L22-L79 HydrophobicContact CD1-CD2 4.1Å
23R86.6Confident83.8Confident74 Ų7470 Ų7028%0.27939%0.394SS..Hα-helixtrans-62.8-44.7174.5-75.5177.4166.2-170.1-7.7112.4R19 R20 K21 V26 T27 V38 V42R19-R23 WeakPolarHBondContact O-CG 3.49Å; R19-R23 PolarHBondContact O-N 3.31Å; R20-R23 PolarHBondContact O-N 2.95Å; K21-R23 PolarHBondContact O-N 3.03Å; K21-R23 VanDerWaalsContact O-N 3.14Å; R23-V26 PolarHBondContact O-N 3.29Å; R23-T27 PolarHBondContact O-N 2.71Å; R23-T27 PolarHBondContact O-OG1 3.33Å; R23-T27 VanDerWaalsContact O-OG1 3.09Å; R23-V38 HydrophobicContact CB-CG1 4.13Å; R23-V38 HydrophobicContact CG-CG1 3.97Å; R23-V42 HydrophobicContact CG-CB 4.17Å; R23-V42 HydrophobicContact CG-CG1 3.97Å; R23-V42 PolarHBondContact NE-O 3.37Å; R23-V42 PolarHBondContact NH2-O 2.91Å
24A87.2Confident83Confident53 Ų5369 Ų6944%0.43839%0.389SS..Hα-helixtrans-64.8-40.4176.400000112.2R20 K21 T27 T28R20-A24 PolarHBondContact O-N 3.26Å; K21-A24 CarbonylContact O-C 3.57Å; K21-A24 WeakPolarHBondContact O-CA 3.22Å; K21-A24 WeakPolarHBondContact O-CB 3.25Å; K21-A24 PolarHBondContact O-N 2.78Å; A24-T27 PolarHBondContact O-N 2.83Å; A24-T28 WeakPolarHBondContact O-CB 3.35Å; A24-T28 PolarHBondContact O-N 3.38Å; A24-T28 PolarHBondContact O-OG1 3.15Å
25D87.1Confident82.2Confident84 Ų8473.3 Ų73.345%0.44942%0.418SS..Hα-helixtrans-64.5-41.4176.6-56.8-35.8000110.7K21 L22 T28 A29 L79K21-D25 VanDerWaalsContact C-OD2 3.31Å; K21-D25 PolarHBondContact O-N 3.04Å; K21-D25 VanDerWaalsContact O-OD2 3.13Å; L22-D25 PolarHBondContact O-N 2.97Å; D25-T28 PolarHBondContact O-N 2.92Å; D25-A29 WeakPolarHBondContact O-CB 3.3Å; D25-A29 PolarHBondContact O-N 2.83Å; D25-L79 HydrophobicContact CB-CD1 3.64Å
26V86.2Confident81.6Confident0 Ų072.2 Ų72.20%042%0.419CS..Hα-helixtrans-63.9-46.3173.9165.10000111.8L22 R23 T28 A29 F30 L33 V38 L72 L79L22-V26 HydrophobicContact CD1-CG2 4.3Å; L22-V26 HydrophobicContact CG-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CB 3.42Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 2.91Å; R23-V26 PolarHBondContact O-N 3.29Å; V26-T28 VanDerWaalsContact C-N 3.26Å; V26-T28 PolarHBondContact O-N 3.41Å; V26-A29 PolarHBondContact O-N 3.45Å; V26-F30 HydrophobicContact CG1-CD2 4.27Å; V26-F30 PolarHBondContact O-N 3.14Å; V26-L33 HydrophobicContact CG1-CD1 3.8Å; V26-V38 HydrophobicContact CG1-CG1 4.37Å; V26-V38 HydrophobicContact CG1-CG2 4.25Å; V26-L72 HydrophobicContact CG2-CD1 3.55Å; V26-L72 HydrophobicContact CG2-CD2 4.46Å; V26-L79 HydrophobicContact CG2-CD1 4.04Å
27T85.8Confident81.3Confident70 Ų7073.2 Ų73.243%0.42941%0.409SS..Hα-helixtrans-63.6-32.2175.7-59.60000112.1R23 A24R23-T27 PolarHBondContact O-N 2.71Å; R23-T27 PolarHBondContact O-OG1 3.33Å; R23-T27 VanDerWaalsContact O-OG1 3.09Å; A24-T27 PolarHBondContact O-N 2.83Å
28T85.7Confident81.1Confident117 Ų11770.3 Ų70.372%0.71839%0.389SS*.Hα-helixtrans-73.3-38.8176.3-53.90000111.8A24 D25 V26A24-T28 WeakPolarHBondContact O-CB 3.35Å; A24-T28 PolarHBondContact O-N 3.38Å; A24-T28 PolarHBondContact O-OG1 3.15Å; D25-T28 PolarHBondContact O-N 2.92Å; V26-T28 VanDerWaalsContact C-N 3.26Å; V26-T28 PolarHBondContact O-N 3.41Å
29A81.1Confident80.8Confident51 Ų5170.1 Ų70.142%0.42139%0.392SS..Hα-helixtrans-78.3-33.1-179.900000113.6D25 V26D25-A29 WeakPolarHBondContact O-CB 3.3Å; D25-A29 PolarHBondContact O-N 2.83Å; V26-A29 PolarHBondContact O-N 3.45Å
30F82.6Confident80.7Confident11 Ų1174.6 Ų74.65%0.04841%0.414CS..  trans-128.376.1-174.7-52.1-63.3000110.8V26 T32 L33 L72 P81 L92 L93 L132V26-F30 HydrophobicContact CG1-CD2 4.27Å; V26-F30 PolarHBondContact O-N 3.14Å; F30-T32 PolarHBondContact O-N 3.21Å; F30-T32 VanDerWaalsContact O-N 3.14Å; F30-L33 HydrophobicContact CB-CD1 4.06Å; F30-L33 HydrophobicContact CB-CG 4.13Å; F30-L33 PolarHBondContact O-N 2.88Å; F30-L72 HydrophobicContact CE2-CD2 3.95Å; F30-P81 HydrophobicContact CZ-CG 4.42Å; F30-L92 HydrophobicContact CB-CD2 3.78Å; F30-L92 HydrophobicContact CD1-CD2 4.22Å; F30-L92 HydrophobicContact CG-CD2 3.97Å; F30-L93 HydrophobicContact CD1-CD2 4.41Å; F30-L93 HydrophobicContact CE1-CD2 4.05Å; F30-L132 HydrophobicContact CE1-CD2 4.26Å; F30-L132 HydrophobicContact CZ-CD2 4.42Å
31P75.4Confident80.2Confident112 Ų11265.8 Ų65.873%0.72738%0.382SS*.THydrogen-bonded Turntrans-67-13.1-176.928.7-36.6000113.8L33P31-L33 VanDerWaalsContact C-N 3.29Å
32T70.6Confident79.9Confident95 Ų9559.8 Ų59.858%0.58336%0.356SS*.THydrogen-bonded Turntrans-73.5-15.2171.934.90000113.7F30 G34F30-T32 PolarHBondContact O-N 3.21Å; F30-T32 VanDerWaalsContact O-N 3.14Å; T32-G34 PolarHBondContact O-N 3.48Å
33L72.2Confident79.5Confident13 Ų1360.7 Ų60.77%0.06836%0.362CS..SBendtrans-79120.4173.4-69.9179.8000111.3V26 F30 P31 Q37 V38 L41 L92V26-L33 HydrophobicContact CG1-CD1 3.8Å; F30-L33 HydrophobicContact CB-CD1 4.06Å; F30-L33 HydrophobicContact CB-CG 4.13Å; F30-L33 PolarHBondContact O-N 2.88Å; P31-L33 VanDerWaalsContact C-N 3.29Å; L33-Q37 HydrophobicContact CD2-CB 4.11Å; L33-Q37 VanDerWaalsContact CD2-OE1 3.27Å; L33-V38 HydrophobicContact CB-CG2 3.76Å; L33-V38 HydrophobicContact CD1-CG2 3.96Å; L33-L41 HydrophobicContact CD1-CD2 4.45Å; L33-L92 HydrophobicContact CD1-CD2 3.89Å; L33-L92 HydrophobicContact CD2-CD2 3.55Å; L33-L92 HydrophobicContact CD2-CG 4.12Å; L33-L92 HydrophobicContact CG-CD2 3.49Å; L33-L92 VanDerWaalsContact CG-CD2 3.49Å
34G70.8Confident78.8Confident39 Ų3959.7 Ų59.740%0.40238%0.375SS..  trans-63151.7164.200000111.9T32 D36 Q37 V38T32-G34 PolarHBondContact O-N 3.48Å; G34-D36 PolarHBondContact O-N 3.42Å; G34-D36 VanDerWaalsContact O-N 3.1Å; G34-Q37 PolarHBondContact O-N 2.61Å; G34-V38 PolarHBondContact O-N 3.42Å; G34-V38 VanDerWaalsContact O-N 3.1Å
35T70.8Confident78.1Confident118 Ų11867.3 Ų67.372%0.72440%0.398SS*.Hα-helixtrans-52-35.6178.6-47.40000112.4V38 S39T35-V38 PolarHBondContact O-N 2.88Å; T35-S39 WeakPolarHBondContact O-CB 3.45Å; T35-S39 PolarHBondContact O-N 3.4Å
36D73.9Confident77.7Confident126 Ų12668.1 Ų68.167%0.67440%0.4SS*.Hα-helixtrans-67.7-43.1179.6-55.7-35.7000111.8G34 V38 S39 E40G34-D36 PolarHBondContact O-N 3.42Å; G34-D36 VanDerWaalsContact O-N 3.1Å; D36-V38 PolarHBondContact O-N 3.01Å; D36-S39 CarbonylContact O-C 3.34Å; D36-S39 WeakPolarHBondContact O-CA 3.42Å; D36-S39 VanDerWaalsContact O-CB 3.28Å; D36-S39 WeakPolarHBondContact O-CB 3.18Å; D36-S39 PolarHBondContact O-N 3.14Å; D36-S39 PolarHBondContact O-OG 2.89Å; D36-E40 PolarHBondContact O-N 3.2Å
37Q78.1Confident77.3Confident75 Ų7575.5 Ų75.535%0.3543%0.434SS..Hα-helixtrans-66.3-36.3175.1-65.3-173.1-8.600111.8L33 G34 S39 E40 L41 Y89L33-Q37 HydrophobicContact CD2-CB 4.11Å; L33-Q37 VanDerWaalsContact CD2-OE1 3.27Å; G34-Q37 PolarHBondContact O-N 2.61Å; Q37-S39 PolarHBondContact O-N 3.06Å; Q37-E40 PolarHBondContact O-N 3.35Å; Q37-L41 WeakPolarHBondContact O-CB 3.28Å; Q37-L41 PolarHBondContact O-N 3.27Å; Q37-Y89 HydrophobicContact CB-CE1 3.95Å; Q37-Y89 VanDerWaalsContact CD-CE1 3.44Å; Q37-Y89 HydrophobicContact CG-CD1 4.34Å; Q37-Y89 HydrophobicContact CG-CE1 3.68Å
38V79Confident77.3Confident7 Ų772.4 Ų72.44%0.04242%0.415CS..Hα-helixtrans-66-31.3170.9-178.80000111.1R23 V26 L33 G34 T35 D36 V42R23-V38 HydrophobicContact CB-CG1 4.13Å; R23-V38 HydrophobicContact CG-CG1 3.97Å; V26-V38 HydrophobicContact CG1-CG1 4.37Å; V26-V38 HydrophobicContact CG1-CG2 4.25Å; L33-V38 HydrophobicContact CB-CG2 3.76Å; L33-V38 HydrophobicContact CD1-CG2 3.96Å; G34-V38 PolarHBondContact O-N 3.42Å; G34-V38 VanDerWaalsContact O-N 3.1Å; T35-V38 PolarHBondContact O-N 2.88Å; D36-V38 PolarHBondContact O-N 3.01Å; V38-V42 PolarHBondContact O-N 2.72Å; V38-V42 VanDerWaalsContact O-N 3.09Å
39S79.4Confident77.4Confident56 Ų5668.6 Ų68.639%0.39239%0.39SS..Hα-helixtrans-70.8-36175.895.30000112.4T35 D36 Q37 V42 P43T35-S39 WeakPolarHBondContact O-CB 3.45Å; T35-S39 PolarHBondContact O-N 3.4Å; D36-S39 CarbonylContact O-C 3.34Å; D36-S39 WeakPolarHBondContact O-CA 3.42Å; D36-S39 VanDerWaalsContact O-CB 3.28Å; D36-S39 WeakPolarHBondContact O-CB 3.18Å; D36-S39 PolarHBondContact O-N 3.14Å; D36-S39 PolarHBondContact O-OG 2.89Å; Q37-S39 PolarHBondContact O-N 3.06Å; S39-V42 CarbonylContact O-C 3.57Å; S39-P43 VanDerWaalsContact O-CA 3.23Å; S39-P43 WeakPolarHBondContact O-CA 3.28Å
40E81.9Confident77.8Confident133 Ų13367.6 Ų67.662%0.62138%0.377SS*.Hα-helixtrans-75.6-40.8175-170.9-176.8148.300112.1D36 Q37 V42 P43 Y89D36-E40 PolarHBondContact O-N 3.2Å; Q37-E40 PolarHBondContact O-N 3.35Å; E40-V42 VanDerWaalsContact C-N 3.28Å; E40-V42 PolarHBondContact O-N 3.4Å; E40-P43 WeakPolarHBondContact O-CD 3.39Å; E40-P43 VanDerWaalsContact O-CG 3.22Å; E40-P43 WeakPolarHBondContact O-CG 3.35Å; E40-Y89 PolarHBondContact OE1-OH 3.22Å; E40-Y89 PolarHBondContact OE2-OH 3.43Å
41L77.1Confident78.2Confident17 Ų1768 Ų689%0.08938%0.381CS..Hα-helixtrans-68.9-27.5177.3-164.272.4000112.2L33 Q37 I71 L72 T85 Y89L33-L41 HydrophobicContact CD1-CD2 4.45Å; Q37-L41 WeakPolarHBondContact O-CB 3.28Å; Q37-L41 PolarHBondContact O-N 3.27Å; L41-I71 HydrophobicContact CD1-CG2 3.6Å; L41-I71 HydrophobicContact CD2-CG2 3.93Å; L41-I71 HydrophobicContact CG-CG2 3.56Å; L41-I71 WeakPolarHBondContact O-CD1 3.41Å; L41-L72 HydrophobicContact CD2-CD1 4.49Å; L41-T85 HydrophobicContact CD1-CG2 3.71Å; L41-T85 HydrophobicContact CD2-CG2 4.14Å; L41-Y89 HydrophobicContact CD1-CD2 4.31Å; L41-Y89 HydrophobicContact CD1-CE2 4Å
42V79.9Confident78.8Confident1 Ų167.8 Ų67.81%0.00637%0.368CS..SBendtrans-128.769179.3-178.60000110.1R19 R23 V38 S39 E40 L48R19-V42 HydrophobicContact CG-CG1 3.81Å; R19-V42 PolarHBondContact NH2-O 2.95Å; R23-V42 HydrophobicContact CG-CB 4.17Å; R23-V42 HydrophobicContact CG-CG1 3.97Å; R23-V42 PolarHBondContact NE-O 3.37Å; R23-V42 PolarHBondContact NH2-O 2.91Å; V38-V42 PolarHBondContact O-N 2.72Å; V38-V42 VanDerWaalsContact O-N 3.09Å; S39-V42 CarbonylContact O-C 3.57Å; E40-V42 VanDerWaalsContact C-N 3.28Å; E40-V42 PolarHBondContact O-N 3.4Å; V42-L48 HydrophobicContact CG1-CD1 4.12Å; V42-L48 HydrophobicContact CG1-CD2 3.71Å; V42-L48 HydrophobicContact CG2-CD2 4.42Å
43P77.9Confident79.7Confident23 Ų2363.6 Ų63.615%0.14934%0.342CS..  trans-58.9132.5-162.6-27.535.8000115.5R19 S39 E40 K45 E46R19-P43 PolarHBondContact NH1-O 3.11Å; R19-P43 PolarHBondContact NH2-O 3.4Å; S39-P43 VanDerWaalsContact O-CA 3.23Å; S39-P43 WeakPolarHBondContact O-CA 3.28Å; E40-P43 WeakPolarHBondContact O-CD 3.39Å; E40-P43 VanDerWaalsContact O-CG 3.22Å; E40-P43 WeakPolarHBondContact O-CG 3.35Å; P43-K45 PolarHBondContact O-N 2.82Å; P43-E46 HydrophobicContact CB-CB 3.92Å; P43-E46 HydrophobicContact CB-CG 3.72Å; P43-E46 HydrophobicContact CG-CB 4.36Å; P43-E46 HydrophobicContact CG-CG 4.2Å; P43-E46 PolarHBondContact O-N 2.89Å
44G72.6Confident80.4Confident53 Ų5367.4 Ų67.455%0.54636%0.357SS..THydrogen-bonded Turntrans-38.5-45.7-178.800000114.9R19R19-G44 PolarHBondContact NH1-O 3.3Å; R19-G44 PolarHBondContact NH2-O 2.78Å
45K72.8Confident80.9Confident213 Ų21366.2 Ų66.293%0.92634%0.342SS*.THydrogen-bonded Turntrans-111.4-3.8-166.1-59.4174.1-178.7174.50114.6P43P43-K45 PolarHBondContact O-N 2.82Å
46E77.6Confident81.2Confident101 Ų10168.4 Ų68.447%0.47234%0.339SS..SBendtrans-92157.3-175.6-66.8-178.2-163.800113.7P43 L48 S66P43-E46 HydrophobicContact CB-CB 3.92Å; P43-E46 HydrophobicContact CB-CG 3.72Å; P43-E46 HydrophobicContact CG-CB 4.36Å; P43-E46 HydrophobicContact CG-CG 4.2Å; P43-E46 PolarHBondContact O-N 2.89Å; E46-L48 PolarHBondContact O-N 2.87Å; E46-S66 PolarHBondContact OE2-OG 2.81Å; E46-S66 VanDerWaalsContact OE2-OG 3.05Å
47E78.3Confident81.2Confident154 Ų15471 Ų7172%0.7234%0.344SS*.  trans-76.795.3174.6-64.6-169.9175.200111.4
48L85.3Confident81.2Confident5 Ų569.8 Ų69.83%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-77.4133.5163.9-106.881.6000110.9I14 L22 V42 E46 V65 S66I14-L48 HydrophobicContact CB-CB 4.32Å; I14-L48 HydrophobicContact CG2-CB 3.41Å; I14-L48 VanDerWaalsContact CG2-CB 3.41Å; I14-L48 WeakPolarHBondContact CG2-O 3.4Å; I14-L48 PolarHBondContact N-O 2.95Å; L22-L48 HydrophobicContact CD2-CD2 3.94Å; V42-L48 HydrophobicContact CG1-CD1 4.12Å; V42-L48 HydrophobicContact CG1-CD2 3.71Å; V42-L48 HydrophobicContact CG2-CD2 4.42Å; E46-L48 PolarHBondContact O-N 2.87Å; L48-V65 WeakPolarHBondContact CA-O 3.46Å; L48-S66 WeakPolarHBondContact CD1-OG 3.41Å
49N88.2Confident81.4Confident37 Ų3772.5 Ų72.520%0.19837%0.366CS..EExtended strand (participates in β ladder)trans-119.3134.7-179.3-79.6-65.5000111N11 A13 V65N11-N49 WeakPolarHBondContact OD1-CB 3.43Å; A13-N49 WeakPolarHBondContact CA-OD1 3.31Å; A13-N49 PolarHBondContact N-OD1 2.93Å; N49-V65 HydrophobicContact CB-CB 4.38Å; N49-V65 PolarHBondContact N-O 2.89Å; N49-V65 PolarHBondContact O-N 2.92Å
50I90.1Very high81.7Confident30 Ų3073 Ų7315%0.15437%0.373CS..EExtended strand (participates in β ladder)trans-99.4112.5171.7-57.6-178.6000108.3T12 I14 K52 T62 Y64T12-I50 PolarHBondContact N-O 3.19Å; T12-I50 PolarHBondContact O-N 2.9Å; I14-I50 HydrophobicContact CB-CD1 4.35Å; I14-I50 HydrophobicContact CB-CG1 4.29Å; I14-I50 HydrophobicContact CD1-CD1 3.87Å; I14-I50 HydrophobicContact CD1-CG1 4.21Å; I14-I50 HydrophobicContact CG1-CD1 3.85Å; I14-I50 HydrophobicContact CG1-CG1 4.27Å; I50-K52 HydrophobicContact CG2-CG 4.48Å; I50-T62 HydrophobicContact CG2-CG2 3.75Å; I50-Y64 HydrophobicContact CD1-CD1 4.34Å; I50-Y64 HydrophobicContact CD1-CE1 3.86Å; I50-Y64 HydrophobicContact CG1-CD1 3.86Å; I50-Y64 HydrophobicContact CG1-CE1 3.87Å
51V89.6Confident82.1Confident21 Ų2166.8 Ų66.813%0.12735%0.345CS..EExtended strand (participates in β ladder)trans-100.6111.3177.5-1700000108.7V8 L53 V63 V65V8-V51 HydrophobicContact CG1-CG1 3.67Å; V8-V51 HydrophobicContact CG2-CG1 4.33Å; V51-L53 HydrophobicContact CG1-CD2 3.62Å; V51-L53 HydrophobicContact CG1-CG 4.42Å; V51-V63 HydrophobicContact CB-CB 4.43Å; V51-V63 PolarHBondContact N-O 2.76Å; V51-V63 PolarHBondContact O-N 3.17Å; V51-V65 HydrophobicContact CG2-CB 4.49Å; V51-V65 HydrophobicContact CG2-CG2 3.71Å
52K89.3Confident82.8Confident106 Ų10667.2 Ų67.246%0.46135%0.348SS..EExtended strand (participates in β ladder)trans-86.2119.3174.7-64.4-172.4175-178.50109.4K9 S10 I50 V61 T62K9-K52 HydrophobicContact CB-CB 4.46Å; K9-K52 WeakPolarHBondContact CB-O 3.32Å; K9-K52 PolarHBondContact N-O 3.14Å; S10-K52 PolarHBondContact N-O 3.27Å; S10-K52 PolarHBondContact O-N 2.87Å; I50-K52 HydrophobicContact CG2-CG 4.48Å; K52-V61 WeakPolarHBondContact CA-O 3.26Å; K52-T62 HydrophobicContact CD-CG2 4.46Å; K52-T62 HydrophobicContact CG-CG2 3.85Å
53L89.6Confident83.3Confident8 Ų867.3 Ų67.34%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-108.6150.9-179.7-52.8-178.3000110.6F2 F6 R7 V8 V51 V61 V63F2-L53 HydrophobicContact CE1-CD1 4.37Å; F6-L53 HydrophobicContact CD1-CD1 4.39Å; F6-L53 HydrophobicContact CD2-CB 4.38Å; F6-L53 HydrophobicContact CD2-CD1 3.71Å; F6-L53 HydrophobicContact CD2-CD2 3.69Å; F6-L53 HydrophobicContact CD2-CG 4.14Å; F6-L53 HydrophobicContact CE1-CD1 4.25Å; F6-L53 HydrophobicContact CE2-CD1 3.57Å; F6-L53 HydrophobicContact CE2-CD2 3.68Å; F6-L53 HydrophobicContact CE2-CG 4.23Å; F6-L53 HydrophobicContact CG-CD1 4.11Å; F6-L53 HydrophobicContact CZ-CD1 3.85Å; R7-L53 WeakPolarHBondContact O-CA 3.37Å; V8-L53 HydrophobicContact CB-CD2 4.21Å; V8-L53 HydrophobicContact CG1-CD2 4.43Å; V8-L53 HydrophobicContact CG2-CD2 3.7Å; V51-L53 HydrophobicContact CG1-CD2 3.62Å; V51-L53 HydrophobicContact CG1-CG 4.42Å; L53-V61 HydrophobicContact CB-CB 4.3Å; L53-V61 PolarHBondContact N-O 3.07Å; L53-V61 PolarHBondContact O-N 3.09Å; L53-V63 HydrophobicContact CD1-CB 4.49Å; L53-V63 HydrophobicContact CD1-CG2 3.49Å; L53-V63 VanDerWaalsContact CD1-CG2 3.49Å; L53-V63 HydrophobicContact CG-CG2 4.09Å
54Y85.9Confident83.9Confident93 Ų9367.2 Ų67.237%0.36535%0.345SS..EExtended strand (participates in β ladder)trans-108119156.7-76.9-64000109.2F6 R7 K9 G58 D59 A60F6-Y54 WeakPolarHBondContact CB-O 3.48Å; R7-Y54 PolarHBondContact N-O 3.06Å; R7-Y54 PolarHBondContact O-N 3.47Å; K9-Y54 HydrophobicContact CB-CD2 4.16Å; K9-Y54 HydrophobicContact CB-CE2 4.19Å; K9-Y54 HydrophobicContact CD-CD2 4.29Å; K9-Y54 HydrophobicContact CD-CE2 3.48Å; K9-Y54 VanDerWaalsContact CD-CE2 3.48Å; K9-Y54 HydrophobicContact CG-CD2 4.34Å; K9-Y54 HydrophobicContact CG-CE2 3.93Å; K9-Y54 PolarHBondContact NZ-OH 2.86Å; Y54-G58 VanDerWaalsContact CD1-O 3.31Å; Y54-G58 WeakPolarHBondContact CD1-O 3.4Å; Y54-D59 WeakPolarHBondContact CA-O 3.14Å; Y54-A60 HydrophobicContact CD1-CB 4.27Å; Y54-A60 HydrophobicContact CE1-CB 3.88Å
55A81Confident84.7Confident13 Ų1365.8 Ų65.811%0.10733%0.326CS..  trans-64162.8170.500000110.6K57 G58 D59 V61A55-K57 PolarHBondContact O-N 2.84Å; A55-G58 PolarHBondContact O-N 2.93Å; A55-D59 HydrophobicContact CB-CB 4.03Å; A55-D59 PolarHBondContact N-O 2.89Å; A55-V61 HydrophobicContact CB-CG2 4.38Å
56Y76.8Confident85.2Confident164 Ų16456.2 Ų56.264%0.64329%0.286SS*.THydrogen-bonded Turntrans-56.5-27.2179.8179.1-92.7000113.9K4 G58K4-Y56 HydrophobicContact CB-CD2 4.46Å; K4-Y56 HydrophobicContact CB-CG 4.25Å; K4-Y56 HydrophobicContact CD-CD1 3.63Å; K4-Y56 HydrophobicContact CD-CD2 3.9Å; K4-Y56 HydrophobicContact CD-CE1 3.98Å; K4-Y56 HydrophobicContact CD-CE2 4.23Å; K4-Y56 HydrophobicContact CD-CG 3.59Å; K4-Y56 VanDerWaalsContact NZ-CE1 3.34Å; Y56-G58 VanDerWaalsContact C-N 3.34Å
57K75.6Confident85.1Confident181 Ų18154.5 Ų54.579%0.78730%0.295SS*.THydrogen-bonded Turntrans-81.8-7.7177.2-68.1-177177-178.50114.3A55 D59A55-K57 PolarHBondContact O-N 2.84Å; K57-D59 WeakPolarHBondContact CB-OD2 3.47Å
58G76.7Confident85Confident49 Ų4949.3 Ų49.351%0.50528%0.283SS..SBendtrans98.2-7.3-173.400000114.3Y54 A55 Y56 A60Y54-G58 VanDerWaalsContact CD1-O 3.31Å; Y54-G58 WeakPolarHBondContact CD1-O 3.4Å; A55-G58 PolarHBondContact O-N 2.93Å; Y56-G58 VanDerWaalsContact C-N 3.34Å; G58-A60 PolarHBondContact O-N 3.4Å
59D83.4Confident84.8Confident64 Ų6451.2 Ų51.234%0.34229%0.293SS..  trans-60130.2179.9-37.1-35.3000110.7M1 Y54 A55 K57M1-D59 HydrophobicContact CE-CB 4.41Å; Y54-D59 WeakPolarHBondContact CA-O 3.14Å; A55-D59 HydrophobicContact CB-CB 4.03Å; A55-D59 PolarHBondContact N-O 2.89Å; K57-D59 WeakPolarHBondContact CB-OD2 3.47Å
60A86.5Confident84.8Confident67 Ų6749.6 Ų49.655%0.55428%0.284SS*.EExtended strand (participates in β ladder)trans-84.4125.8175.900000109.8Y54 G58Y54-A60 HydrophobicContact CD1-CB 4.27Å; Y54-A60 HydrophobicContact CE1-CB 3.88Å; G58-A60 PolarHBondContact O-N 3.4Å
61V90.4Very high84.7Confident3 Ų348.8 Ų48.82%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-126.8137.9-177.5-1610000109.5M1 F2 K52 L53 A55 V63 F73 E74M1-V61 HydrophobicContact CE-CG1 4.4Å; M1-V61 HydrophobicContact CE-CG2 3.38Å; M1-V61 HydrophobicContact SD-CG2 4.48Å; F2-V61 HydrophobicContact CE1-CG1 4.23Å; F2-V61 HydrophobicContact CE1-CG2 4.48Å; F2-V61 HydrophobicContact CZ-CG1 4.03Å; K52-V61 WeakPolarHBondContact CA-O 3.26Å; L53-V61 HydrophobicContact CB-CB 4.3Å; L53-V61 PolarHBondContact N-O 3.07Å; L53-V61 PolarHBondContact O-N 3.09Å; A55-V61 HydrophobicContact CB-CG2 4.38Å; V61-V63 HydrophobicContact CG1-CG2 4.49Å; V61-F73 HydrophobicContact CG1-CB 4.32Å; V61-F73 HydrophobicContact CG1-CD2 4.32Å; V61-E74 WeakPolarHBondContact CG1-O 3.23Å
62T90.5Very high84.8Confident25 Ų2547.9 Ų47.915%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-107.9113.41775.90000108.9I50 K52 F73 E74I50-T62 HydrophobicContact CG2-CG2 3.75Å; K52-T62 HydrophobicContact CD-CG2 4.46Å; K52-T62 HydrophobicContact CG-CG2 3.85Å; T62-F73 CarbonylContact O-C 3.58Å; T62-F73 VanDerWaalsContact O-CA 3.31Å; T62-F73 WeakPolarHBondContact O-CA 3.34Å; T62-E74 WeakPolarHBondContact CB-OE2 3.46Å; T62-E74 PolarHBondContact N-O 3.29Å; T62-E74 VanDerWaalsContact N-O 3.17Å; T62-E74 PolarHBondContact O-N 3.23Å; T62-E74 WeakPolarHBondContact OG1-CB 3.21Å; T62-E74 PolarHBondContact OG1-OE2 3.17Å
63V91.5Very high85Confident3 Ų342.8 Ų42.82%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-105.9130.4178.5-1790000109.7V51 L53 V61 V65 P70 F73 L176V51-V63 HydrophobicContact CB-CB 4.43Å; V51-V63 PolarHBondContact N-O 2.76Å; V51-V63 PolarHBondContact O-N 3.17Å; L53-V63 HydrophobicContact CD1-CB 4.49Å; L53-V63 HydrophobicContact CD1-CG2 3.49Å; L53-V63 VanDerWaalsContact CD1-CG2 3.49Å; L53-V63 HydrophobicContact CG-CG2 4.09Å; V61-V63 HydrophobicContact CG1-CG2 4.49Å; V63-V65 HydrophobicContact CG1-CG2 4.04Å; V63-P70 HydrophobicContact CG1-CB 3.71Å; V63-F73 HydrophobicContact CG2-CB 3.95Å; V63-L176 HydrophobicContact CG1-CD1 3.98Å; V63-L176 HydrophobicContact CG2-CD1 4.05Å
64Y90.3Very high85Confident22 Ų2244.7 Ų44.79%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-95.9126.9175.3-56.9-86.4000109.6I14 L22 I50 I71 L72 E74 L79I14-Y64 HydrophobicContact CD1-CE1 4.5Å; L22-Y64 HydrophobicContact CD1-CD1 4.14Å; L22-Y64 HydrophobicContact CD1-CD2 4.2Å; L22-Y64 HydrophobicContact CD1-CE1 3.78Å; L22-Y64 HydrophobicContact CD1-CE2 3.86Å; L22-Y64 HydrophobicContact CD1-CG 4.33Å; L22-Y64 HydrophobicContact CD2-CD1 3.45Å; L22-Y64 VanDerWaalsContact CD2-CD1 3.45Å; L22-Y64 HydrophobicContact CD2-CE1 3.71Å; L22-Y64 HydrophobicContact CD2-CG 3.95Å; L22-Y64 HydrophobicContact CG-CD1 4.42Å; L22-Y64 HydrophobicContact CG-CE1 4.29Å; I50-Y64 HydrophobicContact CD1-CD1 4.34Å; I50-Y64 HydrophobicContact CD1-CE1 3.86Å; I50-Y64 HydrophobicContact CG1-CD1 3.86Å; I50-Y64 HydrophobicContact CG1-CE1 3.87Å; Y64-I71 PolarHBondContact O-N 3.2Å; Y64-L72 HydrophobicContact CD2-CB 3.87Å; Y64-L72 PolarHBondContact N-O 3.14Å; Y64-E74 HydrophobicContact CE2-CB 4.1Å; Y64-E74 PolarHBondContact OH-OE2 2.84Å; Y64-L79 HydrophobicContact CD2-CD2 4.38Å; Y64-L79 HydrophobicContact CE2-CD2 3.7Å
65V88.5Confident85Confident22 Ų2241.7 Ų41.713%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-125.8129.7-174.2-179.10000109.1L48 N49 V51 V63 N69 P70L48-V65 WeakPolarHBondContact CA-O 3.46Å; N49-V65 HydrophobicContact CB-CB 4.38Å; N49-V65 PolarHBondContact N-O 2.89Å; N49-V65 PolarHBondContact O-N 2.92Å; V51-V65 HydrophobicContact CG2-CB 4.49Å; V51-V65 HydrophobicContact CG2-CG2 3.71Å; V63-V65 HydrophobicContact CG1-CG2 4.04Å; V65-N69 VanDerWaalsContact CA-O 3.28Å; V65-N69 WeakPolarHBondContact CA-O 3.38Å; V65-N69 WeakPolarHBondContact CG1-O 3.4Å; V65-P70 HydrophobicContact CG2-CB 4.33Å
66S85.1Confident84.9Confident12 Ų1249.3 Ų49.38%0.08429%0.285CS..EExtended strand (participates in β ladder)trans-123.8141.6166.2-158.70000109.4E46 L48 G68 N69 I71E46-S66 PolarHBondContact OE2-OG 2.81Å; E46-S66 VanDerWaalsContact OE2-OG 3.05Å; L48-S66 WeakPolarHBondContact CD1-OG 3.41Å; S66-G68 PolarHBondContact O-N 2.94Å; S66-N69 PolarHBondContact N-O 3.23Å; S66-N69 VanDerWaalsContact N-O 3.07Å; S66-N69 PolarHBondContact O-N 2.96Å; S66-I71 VanDerWaalsContact CB-CD1 3.44Å
67G75.7Confident85Confident65 Ų6550 Ų5067%0.6729%0.291SS*.THydrogen-bonded Turntrans55.323.117900000115.1
68G75.3Confident85.5Confident45 Ų4545.9 Ų45.946%0.46428%0.278SS..THydrogen-bonded Turntrans87.2-12-174.100000115.8S66S66-G68 PolarHBondContact O-N 2.94Å
69N81.8Confident86Confident46 Ų4644.7 Ų44.725%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-94.2134.1178.8-73.4-51.8000112.4V65 S66 N181V65-N69 VanDerWaalsContact CA-O 3.28Å; V65-N69 WeakPolarHBondContact CA-O 3.38Å; V65-N69 WeakPolarHBondContact CG1-O 3.4Å; S66-N69 PolarHBondContact N-O 3.23Å; S66-N69 VanDerWaalsContact N-O 3.07Å; S66-N69 PolarHBondContact O-N 2.96Å; N69-N181 PolarHBondContact ND2-ND2 3.11Å; N69-N181 WeakPolarHBondContact OD1-CB 3.5Å; N69-N181 PolarHBondContact OD1-N 3.06Å; N69-N181 VanDerWaalsContact OD1-N 3.09Å; N69-N181 PolarHBondContact OD1-ND2 3.41Å; N69-N181 PolarHBondContact OD1-OD1 2.97Å
70P87.6Confident86.4Confident2 Ų243 Ų431%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-75.9126.117432.9-33.8000109.8V63 V65 T82 Y84 L176V63-P70 HydrophobicContact CG1-CB 3.71Å; V65-P70 HydrophobicContact CG2-CB 4.33Å; P70-T82 HydrophobicContact CB-CG2 4.03Å; P70-T82 HydrophobicContact CG-CG2 4.37Å; P70-T82 WeakPolarHBondContact O-CB 3.34Å; P70-T82 VanDerWaalsContact O-CG2 3.26Å; P70-T82 WeakPolarHBondContact O-CG2 3.46Å; P70-T82 PolarHBondContact O-OG1 3.5Å; P70-Y84 HydrophobicContact CG-CD2 4.07Å; P70-Y84 HydrophobicContact CG-CE2 4.2Å; P70-L176 HydrophobicContact CB-CD1 4.1Å; P70-L176 HydrophobicContact CG-CD1 4.33Å
71I88.6Confident86.7Confident13 Ų1339.8 Ų39.87%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-100.3-53.9-173.1-57.9169.5000110.8L41 Y64 S66 T82 T85L41-I71 HydrophobicContact CD1-CG2 3.6Å; L41-I71 HydrophobicContact CD2-CG2 3.93Å; L41-I71 HydrophobicContact CG-CG2 3.56Å; L41-I71 WeakPolarHBondContact O-CD1 3.41Å; Y64-I71 PolarHBondContact O-N 3.2Å; S66-I71 VanDerWaalsContact CB-CD1 3.44Å; I71-T82 PolarHBondContact O-N 3.35Å; I71-T82 PolarHBondContact O-OG1 3.2Å; I71-T85 WeakPolarHBondContact CA-OG1 3.46Å; I71-T85 VanDerWaalsContact CG2-OG1 3.28Å; I71-T85 WeakPolarHBondContact CG2-OG1 3.43Å; I71-T85 PolarHBondContact O-OG1 2.94Å
72L91.1Very high86.7Confident2 Ų239.7 Ų39.71%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-134.2150.7-175.2-72.3145.5000108.3V26 F30 L41 Y64 Y80 P81V26-L72 HydrophobicContact CG2-CD1 3.55Å; V26-L72 HydrophobicContact CG2-CD2 4.46Å; F30-L72 HydrophobicContact CE2-CD2 3.95Å; L41-L72 HydrophobicContact CD2-CD1 4.49Å; Y64-L72 HydrophobicContact CD2-CB 3.87Å; Y64-L72 PolarHBondContact N-O 3.14Å; L72-Y80 CarbonylContact C-O 3.58Å; L72-Y80 VanDerWaalsContact CA-O 3.29Å; L72-Y80 WeakPolarHBondContact CA-O 3.2Å; L72-P81 HydrophobicContact CD2-CB 4.43Å
73F92.4Very high86.7Confident0 Ų038.5 Ų38.50%021%0.214CC..EExtended strand (participates in β ladder)trans-127.3141.7164.667.3-85.8000110.2M1 F2 V61 T62 V63 Y80 P81 T82 L169 H170 L176M1-F73 HydrophobicContact SD-CE2 4.5Å; F2-F73 HydrophobicContact CE2-CD1 4.37Å; F2-F73 HydrophobicContact CE2-CD2 4.06Å; F2-F73 HydrophobicContact CE2-CE1 4.29Å; F2-F73 AromaticContact CE2-CE2 3.98Å; F2-F73 HydrophobicContact CE2-CE2 3.98Å; F2-F73 HydrophobicContact CE2-CG 4.25Å; F2-F73 HydrophobicContact CE2-CZ 4.1Å; F2-F73 AromaticContact CZ-CD2 3.91Å; F2-F73 HydrophobicContact CZ-CD2 3.91Å; F2-F73 HydrophobicContact CZ-CE2 4.25Å; F2-F73 HydrophobicContact CZ-CG 4.13Å; V61-F73 HydrophobicContact CG1-CB 4.32Å; V61-F73 HydrophobicContact CG1-CD2 4.32Å; T62-F73 CarbonylContact O-C 3.58Å; T62-F73 VanDerWaalsContact O-CA 3.31Å; T62-F73 WeakPolarHBondContact O-CA 3.34Å; V63-F73 HydrophobicContact CG2-CB 3.95Å; F73-Y80 HydrophobicContact CD2-CD2 4.01Å; F73-Y80 HydrophobicContact CD2-CG 4.35Å; F73-Y80 AromaticContact CE2-CD2 3.71Å; F73-Y80 HydrophobicContact CE2-CD2 3.71Å; F73-Y80 AromaticContact CE2-CG 3.78Å; F73-Y80 HydrophobicContact CE2-CG 3.78Å; F73-Y80 HydrophobicContact CZ-CD2 4.33Å; F73-Y80 AromaticContact CZ-CG 3.92Å; F73-Y80 HydrophobicContact CZ-CG 3.92Å; F73-Y80 PolarHBondContact N-O 3.45Å; F73-Y80 PolarHBondContact O-N 3.05Å; F73-P81 WeakPolarHBondContact CE1-O 3.49Å; F73-T82 HydrophobicContact CD1-CG2 4.35Å; F73-L169 HydrophobicContact CZ-CB 4.08Å; F73-H170 HydrophobicContact CE1-CB 3.88Å; F73-H170 HydrophobicContact CZ-CB 4.03Å; F73-L176 HydrophobicContact CD1-CD2 3.94Å; F73-L176 HydrophobicContact CE1-CD2 4.48Å; F73-L176 HydrophobicContact CG-CD2 4.39Å
74E90.3Very high86.5Confident48 Ų4839.3 Ų39.322%0.22422%0.217CC..EExtended strand (participates in β ladder)trans-106.2131.1177.1177.3-160.7-175.600108.8V61 T62 Y64 K77 N78 L79V61-E74 WeakPolarHBondContact CG1-O 3.23Å; T62-E74 WeakPolarHBondContact CB-OE2 3.46Å; T62-E74 PolarHBondContact N-O 3.29Å; T62-E74 VanDerWaalsContact N-O 3.17Å; T62-E74 PolarHBondContact O-N 3.23Å; T62-E74 WeakPolarHBondContact OG1-CB 3.21Å; T62-E74 PolarHBondContact OG1-OE2 3.17Å; Y64-E74 HydrophobicContact CE2-CB 4.1Å; Y64-E74 PolarHBondContact OH-OE2 2.84Å; E74-K77 WeakPolarHBondContact OE1-CA 3.33Å; E74-N78 VanDerWaalsContact CA-O 3.28Å; E74-N78 WeakPolarHBondContact CA-O 3.4Å; E74-L79 HydrophobicContact CB-CD2 4.08Å
75L85.2Confident86.4Confident30 Ų3038.7 Ų38.716%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-134.1126.8170.8173.765000108.2M1 K77 N78 Y80M1-L75 HydrophobicContact CE-CD1 3.78Å; M1-L75 HydrophobicContact CE-CD2 3.7Å; M1-L75 HydrophobicContact CE-CG 4.23Å; M1-L75 HydrophobicContact SD-CD2 4.09Å; L75-K77 PolarHBondContact O-N 3.31Å; L75-K77 VanDerWaalsContact O-N 3.15Å; L75-N78 PolarHBondContact N-O 2.83Å; L75-N78 PolarHBondContact O-N 2.83Å; L75-Y80 HydrophobicContact CB-CD2 4.38Å; L75-Y80 HydrophobicContact CB-CE2 3.88Å
76E80.6Confident86.3Confident173 Ų17337.7 Ų37.781%0.80821%0.209SC*.THydrogen-bonded Turntrans54.132.3178.9-61.7-178.7173.900114.3N78E76-N78 VanDerWaalsContact C-N 3.32Å
77K78.3Confident86.5Confident179 Ų17938.1 Ų38.178%0.77821%0.209SC*.THydrogen-bonded Turntrans75.51-174.7-50.1177.8-179176.70116.6E74 L75E74-K77 WeakPolarHBondContact OE1-CA 3.33Å; L75-K77 PolarHBondContact O-N 3.31Å; L75-K77 VanDerWaalsContact O-N 3.15Å
78N85.2Confident86.8Confident94 Ų9439.1 Ų39.150%0.50321%0.206SC..EExtended strand (participates in β ladder)trans-91.6135.8172.9-65.8-12.8000109.9E74 L75 E76 Y80E74-N78 VanDerWaalsContact CA-O 3.28Å; E74-N78 WeakPolarHBondContact CA-O 3.4Å; L75-N78 PolarHBondContact N-O 2.83Å; L75-N78 PolarHBondContact O-N 2.83Å; E76-N78 VanDerWaalsContact C-N 3.32Å; N78-Y80 HydrophobicContact CB-CE2 3.68Å; N78-Y80 WeakPolarHBondContact CB-OH 3.34Å; N78-Y80 VanDerWaalsContact O-CD2 3.28Å; N78-Y80 WeakPolarHBondContact O-CD2 3.47Å; N78-Y80 WeakPolarHBondContact O-CE2 3.05Å
79L88.9Confident87.3Confident23 Ų2338.2 Ų38.212%0.1219%0.189CC..EExtended strand (participates in β ladder)trans-90.8135.6176.9-73169.6000111.1L22 D25 V26 Y64 E74L22-L79 HydrophobicContact CD1-CD1 4.24Å; L22-L79 HydrophobicContact CD1-CD2 4.1Å; D25-L79 HydrophobicContact CB-CD1 3.64Å; V26-L79 HydrophobicContact CG2-CD1 4.04Å; Y64-L79 HydrophobicContact CD2-CD2 4.38Å; Y64-L79 HydrophobicContact CE2-CD2 3.7Å; E74-L79 HydrophobicContact CB-CD2 4.08Å
80Y91.3Very high87.3Confident28 Ų2836.7 Ų36.711%0.1118%0.181CC..EExtended strand (participates in β ladder)trans-129.8132.6178.7-55.3-84.6000108.8L72 F73 L75 N78 L132 V148 L169L72-Y80 CarbonylContact C-O 3.58Å; L72-Y80 VanDerWaalsContact CA-O 3.29Å; L72-Y80 WeakPolarHBondContact CA-O 3.2Å; F73-Y80 HydrophobicContact CD2-CD2 4.01Å; F73-Y80 HydrophobicContact CD2-CG 4.35Å; F73-Y80 AromaticContact CE2-CD2 3.71Å; F73-Y80 HydrophobicContact CE2-CD2 3.71Å; F73-Y80 AromaticContact CE2-CG 3.78Å; F73-Y80 HydrophobicContact CE2-CG 3.78Å; F73-Y80 HydrophobicContact CZ-CD2 4.33Å; F73-Y80 AromaticContact CZ-CG 3.92Å; F73-Y80 HydrophobicContact CZ-CG 3.92Å; F73-Y80 PolarHBondContact N-O 3.45Å; F73-Y80 PolarHBondContact O-N 3.05Å; L75-Y80 HydrophobicContact CB-CD2 4.38Å; L75-Y80 HydrophobicContact CB-CE2 3.88Å; N78-Y80 HydrophobicContact CB-CE2 3.68Å; N78-Y80 WeakPolarHBondContact CB-OH 3.34Å; N78-Y80 VanDerWaalsContact O-CD2 3.28Å; N78-Y80 WeakPolarHBondContact O-CD2 3.47Å; N78-Y80 WeakPolarHBondContact O-CE2 3.05Å; Y80-L132 HydrophobicContact CD1-CD1 3.56Å; Y80-L132 HydrophobicContact CD1-CD2 3.7Å; Y80-L132 HydrophobicContact CD1-CG 4.27Å; Y80-L132 HydrophobicContact CE1-CD1 4Å; Y80-L132 HydrophobicContact CE1-CD2 4.45Å; Y80-V148 HydrophobicContact CE1-CG2 4.12Å; Y80-L169 HydrophobicContact CD1-CD1 3.53Å; Y80-L169 HydrophobicContact CE1-CD1 3.45Å; Y80-L169 VanDerWaalsContact CE1-CD1 3.45Å; Y80-L169 HydrophobicContact CG-CD1 4.12Å
81P91.4Very high87Confident1 Ų141.5 Ų41.51%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-71.7160.3174.629-25.4000110F30 L72 F73 T85 L93 I146F30-P81 HydrophobicContact CZ-CG 4.42Å; L72-P81 HydrophobicContact CD2-CB 4.43Å; F73-P81 WeakPolarHBondContact CE1-O 3.49Å; P81-T85 HydrophobicContact CB-CG2 4.02Å; P81-L93 HydrophobicContact CG-CD1 3.83Å; P81-I146 HydrophobicContact CG-CD1 4.22Å; P81-I146 WeakPolarHBondContact O-CD1 3.37Å
82T91.4Very high86.7Confident0 Ų041.5 Ų41.50%021%0.207CC..  trans-85.2165.1166.264.90000111.2P70 I71 F73 Y84 T85 L86 L176P70-T82 HydrophobicContact CB-CG2 4.03Å; P70-T82 HydrophobicContact CG-CG2 4.37Å; P70-T82 WeakPolarHBondContact O-CB 3.34Å; P70-T82 VanDerWaalsContact O-CG2 3.26Å; P70-T82 WeakPolarHBondContact O-CG2 3.46Å; P70-T82 PolarHBondContact O-OG1 3.5Å; I71-T82 PolarHBondContact O-N 3.35Å; I71-T82 PolarHBondContact O-OG1 3.2Å; F73-T82 HydrophobicContact CD1-CG2 4.35Å; T82-Y84 PolarHBondContact O-N 3.14Å; T82-Y84 PolarHBondContact OG1-N 2.81Å; T82-T85 PolarHBondContact O-N 3.28Å; T82-T85 PolarHBondContact OG1-N 3.05Å; T82-L86 WeakPolarHBondContact O-CB 3.5Å; T82-L86 PolarHBondContact O-N 2.68Å; T82-L176 HydrophobicContact CG2-CD2 4.1Å
83V89.9Confident86.5Confident0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-58-33.2172166.50000111.1L86 W87 I146 H170V83-L86 PolarHBondContact O-N 3.05Å; V83-W87 HydrophobicContact CG1-CD2 4.09Å; V83-W87 HydrophobicContact CG1-CH2 4.14Å; V83-W87 HydrophobicContact CG1-CZ2 3.32Å; V83-W87 VanDerWaalsContact O-CD1 3.27Å; V83-W87 PolarHBondContact O-N 2.92Å; V83-I146 HydrophobicContact CG2-CD1 4.23Å; V83-I146 HydrophobicContact CG2-CG1 4.24Å; V83-H170 PolarHBondContact N-CD2 3.18Å; V83-H170 VanDerWaalsContact N-CD2 3.29Å; V83-H170 PolarHBondContact N-NE2 3.4Å; V83-H170 VanDerWaalsContact N-NE2 3.13Å
84Y87.4Confident86.3Confident21 Ų2144.5 Ų44.58%0.08223%0.226CC..Hα-helixtrans-64.6-49.7175-66.7-69.8000112.9P70 T82 L86 W87 S88 W177 K182P70-Y84 HydrophobicContact CG-CD2 4.07Å; P70-Y84 HydrophobicContact CG-CE2 4.2Å; T82-Y84 PolarHBondContact O-N 3.14Å; T82-Y84 PolarHBondContact OG1-N 2.81Å; Y84-L86 PolarHBondContact O-N 3.12Å; Y84-W87 AromaticContact CD1-CE3 3.93Å; Y84-W87 HydrophobicContact CD1-CE3 3.93Å; Y84-W87 AromaticContact CD1-CZ3 3.78Å; Y84-W87 HydrophobicContact CD1-CZ3 3.78Å; Y84-W87 HydrophobicContact CE1-CE3 4.48Å; Y84-W87 AromaticContact CE1-CZ3 3.88Å; Y84-W87 HydrophobicContact CE1-CZ3 3.88Å; Y84-W87 WeakPolarHBondContact O-CB 3.48Å; Y84-W87 PolarHBondContact O-N 2.84Å; Y84-W87 VanDerWaalsContact O-N 3.13Å; Y84-S88 PolarHBondContact O-N 3.04Å; Y84-W177 AromaticContact CE1-CD1 3.77Å; Y84-W177 AromaticContact CE1-NE1 3.65Å; Y84-W177 HydrophobicContact CE2-CB 4.47Å; Y84-W177 AromaticContact CE2-CD1 3.7Å; Y84-W177 HydrophobicContact CE2-CG 4.22Å; Y84-W177 WeakPolarHBondContact CE2-O 3.49Å; Y84-W177 AromaticContact CZ-CD1 3.32Å; Y84-W177 AromaticContact CZ-NE1 3.51Å; Y84-W177 VanDerWaalsContact OH-CD1 3.32Å; Y84-W177 PolarHBondContact OH-NE1 3.09Å; Y84-W177 PolarHBondContact OH-O 3.19Å; Y84-K182 WeakPolarHBondContact OH-CA 3.31Å; Y84-K182 PolarHBondContact OH-N 3.1Å
85T87.5Confident86.2Confident9 Ų944.5 Ų44.56%0.05523%0.229CC..Hα-helixtrans-60.6-38.3176.9-72.80000111.7L41 I71 P81 T82 W87 S88 Y89 L92L41-T85 HydrophobicContact CD1-CG2 3.71Å; L41-T85 HydrophobicContact CD2-CG2 4.14Å; I71-T85 WeakPolarHBondContact CA-OG1 3.46Å; I71-T85 VanDerWaalsContact CG2-OG1 3.28Å; I71-T85 WeakPolarHBondContact CG2-OG1 3.43Å; I71-T85 PolarHBondContact O-OG1 2.94Å; P81-T85 HydrophobicContact CB-CG2 4.02Å; T82-T85 PolarHBondContact O-N 3.28Å; T82-T85 PolarHBondContact OG1-N 3.05Å; T85-W87 VanDerWaalsContact C-N 3.28Å; T85-W87 PolarHBondContact O-N 2.81Å; T85-S88 PolarHBondContact O-N 3.03Å; T85-Y89 PolarHBondContact O-N 3.1Å; T85-L92 HydrophobicContact CG2-CD1 3.94Å
86L88.1Confident86.3Confident0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-75.3-14.5179.6-164.765000113.4T82 V83 Y84 Y89 P90 L92 L93 A134 P143 I146T82-L86 WeakPolarHBondContact O-CB 3.5Å; T82-L86 PolarHBondContact O-N 2.68Å; V83-L86 PolarHBondContact O-N 3.05Å; Y84-L86 PolarHBondContact O-N 3.12Å; L86-Y89 CarbonylContact O-C 3.51Å; L86-P90 VanDerWaalsContact O-CA 3.24Å; L86-P90 WeakPolarHBondContact O-CA 3.4Å; L86-L92 HydrophobicContact CD1-CB 3.83Å; L86-L92 HydrophobicContact CD1-CD1 4.37Å; L86-L93 HydrophobicContact CD1-CB 4.3Å; L86-L93 HydrophobicContact CD1-CD1 4.06Å; L86-L93 HydrophobicContact CD1-CG 4.19Å; L86-L93 HydrophobicContact CD2-CD1 4.23Å; L86-A134 HydrophobicContact CD2-CB 3.77Å; L86-P143 HydrophobicContact CD2-CB 3.54Å; L86-P143 HydrophobicContact CD2-CG 3.81Å; L86-P143 HydrophobicContact CG-CB 4.02Å; L86-P143 HydrophobicContact CG-CG 3.82Å; L86-I146 HydrophobicContact CB-CD1 4.37Å; L86-I146 HydrophobicContact CD2-CD1 3.67Å; L86-I146 HydrophobicContact CD2-CG1 3.6Å
87W88.1Confident86.8Confident22 Ų2237 Ų378%0.08320%0.196CC..Hα-helixtrans-79-35.4167.7-69.7-13.6000112.7V83 Y84 T85 P143 Y172 W177 S183 S184 P185 P186V83-W87 HydrophobicContact CG1-CD2 4.09Å; V83-W87 HydrophobicContact CG1-CH2 4.14Å; V83-W87 HydrophobicContact CG1-CZ2 3.32Å; V83-W87 VanDerWaalsContact O-CD1 3.27Å; V83-W87 PolarHBondContact O-N 2.92Å; Y84-W87 AromaticContact CD1-CE3 3.93Å; Y84-W87 HydrophobicContact CD1-CE3 3.93Å; Y84-W87 AromaticContact CD1-CZ3 3.78Å; Y84-W87 HydrophobicContact CD1-CZ3 3.78Å; Y84-W87 HydrophobicContact CE1-CE3 4.48Å; Y84-W87 AromaticContact CE1-CZ3 3.88Å; Y84-W87 HydrophobicContact CE1-CZ3 3.88Å; Y84-W87 WeakPolarHBondContact O-CB 3.48Å; Y84-W87 PolarHBondContact O-N 2.84Å; Y84-W87 VanDerWaalsContact O-N 3.13Å; T85-W87 VanDerWaalsContact C-N 3.28Å; T85-W87 PolarHBondContact O-N 2.81Å; W87-P143 PolarHBondContact NE1-O 3.13Å; W87-Y172 AromaticContact CH2-CD2 3.81Å; W87-Y172 HydrophobicContact CH2-CD2 3.81Å; W87-Y172 AromaticContact CH2-CE2 4Å; W87-Y172 HydrophobicContact CH2-CE2 4Å; W87-Y172 AromaticContact CZ2-CD2 3.87Å; W87-Y172 HydrophobicContact CZ2-CD2 3.87Å; W87-Y172 HydrophobicContact CZ2-CE2 4.38Å; W87-W177 AromaticContact CH2-NE1 3.48Å; W87-W177 AromaticContact CZ3-NE1 3.96Å; W87-S183 VanDerWaalsContact CH2-O 3.24Å; W87-S183 WeakPolarHBondContact CH2-O 3.37Å; W87-S183 WeakPolarHBondContact CZ3-O 3.47Å; W87-S184 WeakPolarHBondContact CZ3-O 3.25Å; W87-P185 HydrophobicContact CH2-CB 4.15Å; W87-P185 VanDerWaalsContact CZ2-CA 3.44Å; W87-P185 HydrophobicContact CZ2-CB 3.55Å; W87-P185 HydrophobicContact CZ2-CG 4.41Å; W87-P186 HydrophobicContact CB-CG 3.93Å; W87-P186 HydrophobicContact CD2-CG 4.46Å; W87-P186 HydrophobicContact CG-CG 4.07Å
88S83.3Confident87.3Confident85 Ų8528.4 Ų28.459%0.59416%0.159SC*.Hα-helixtrans-71.4-38.2171.5-60.80000111.8Y84 T85Y84-S88 PolarHBondContact O-N 3.04Å; T85-S88 PolarHBondContact O-N 3.03Å
89Y84.3Confident87.4Confident27 Ų2730.6 Ų30.611%0.10616%0.16CC..  trans-129.572.3-173.3-56.8-77.9000111Q37 E40 L41 T85 L86 D91 L92Q37-Y89 HydrophobicContact CB-CE1 3.95Å; Q37-Y89 VanDerWaalsContact CD-CE1 3.44Å; Q37-Y89 HydrophobicContact CG-CD1 4.34Å; Q37-Y89 HydrophobicContact CG-CE1 3.68Å; E40-Y89 PolarHBondContact OE1-OH 3.22Å; E40-Y89 PolarHBondContact OE2-OH 3.43Å; L41-Y89 HydrophobicContact CD1-CD2 4.31Å; L41-Y89 HydrophobicContact CD1-CE2 4Å; T85-Y89 PolarHBondContact O-N 3.1Å; L86-Y89 CarbonylContact O-C 3.51Å; Y89-D91 VanDerWaalsContact C-N 3.26Å; Y89-D91 PolarHBondContact O-N 3.01Å; Y89-L92 WeakPolarHBondContact O-CB 3.38Å; Y89-L92 WeakPolarHBondContact O-CD1 3.29Å; Y89-L92 WeakPolarHBondContact O-CG 3.38Å; Y89-L92 PolarHBondContact O-N 2.94Å
90P81.4Confident87.2Confident14 Ų1432.8 Ų32.89%0.09118%0.176CC..G310 helixtrans-67.7-24-174.827.9-35.7000113.7L86 L92 I188L86-P90 VanDerWaalsContact O-CA 3.24Å; L86-P90 WeakPolarHBondContact O-CA 3.4Å; P90-L92 PolarHBondContact O-N 3.49Å; P90-I188 HydrophobicContact CG-CD1 4.42Å
91D82.3Confident86.8Confident103 Ų10337.6 Ų37.655%0.55120%0.202SC*.G310 helixtrans-78.72.6-179-54.9-65.2000113.6Y89 L93 R141Y89-D91 VanDerWaalsContact C-N 3.26Å; Y89-D91 PolarHBondContact O-N 3.01Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.41Å; D91-R141 IonicContact OD1-CZ 3.35Å; D91-R141 IonicContact OD1-NH1 3.15Å; D91-R141 PolarHBondContact OD1-NH1 3.02Å; D91-R141 VanDerWaalsContact OD1-NH1 3.15Å; D91-R141 IonicContact OD1-NH2 2.66Å; D91-R141 PolarHBondContact OD1-NH2 3.45Å; D91-R141 IonicContact OD2-NH1 3.64Å
92L83.3Confident86.5Confident13 Ų1339 Ų397%0.06821%0.211CC..G310 helixtrans-61.5-34.8175.5-91.5172.6000114.3F30 L33 T85 L86 Y89 P90F30-L92 HydrophobicContact CB-CD2 3.78Å; F30-L92 HydrophobicContact CD1-CD2 4.22Å; F30-L92 HydrophobicContact CG-CD2 3.97Å; L33-L92 HydrophobicContact CD1-CD2 3.89Å; L33-L92 HydrophobicContact CD2-CD2 3.55Å; L33-L92 HydrophobicContact CD2-CG 4.12Å; L33-L92 HydrophobicContact CG-CD2 3.49Å; L33-L92 VanDerWaalsContact CG-CD2 3.49Å; T85-L92 HydrophobicContact CG2-CD1 3.94Å; L86-L92 HydrophobicContact CD1-CB 3.83Å; L86-L92 HydrophobicContact CD1-CD1 4.37Å; Y89-L92 WeakPolarHBondContact O-CB 3.38Å; Y89-L92 WeakPolarHBondContact O-CD1 3.29Å; Y89-L92 WeakPolarHBondContact O-CG 3.38Å; Y89-L92 PolarHBondContact O-N 2.94Å; P90-L92 PolarHBondContact O-N 3.49Å
93L86Confident86.2Confident16 Ų1640.9 Ų40.98%0.08422%0.221CC..SBendtrans-137.6148.9-167.9-66.6177.8000111.7F30 P81 L86 D91 T95 L132 A134F30-L93 HydrophobicContact CD1-CD2 4.41Å; F30-L93 HydrophobicContact CE1-CD2 4.05Å; P81-L93 HydrophobicContact CG-CD1 3.83Å; L86-L93 HydrophobicContact CD1-CB 4.3Å; L86-L93 HydrophobicContact CD1-CD1 4.06Å; L86-L93 HydrophobicContact CD1-CG 4.19Å; L86-L93 HydrophobicContact CD2-CD1 4.23Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.41Å; L93-T95 PolarHBondContact O-N 3.33Å; L93-L132 HydrophobicContact CD1-CD2 4.13Å; L93-L132 HydrophobicContact CD1-CG 3.9Å; L93-L132 HydrophobicContact CD2-CB 4.07Å; L93-L132 HydrophobicContact CD2-CD2 4.01Å; L93-L132 HydrophobicContact CD2-CG 3.92Å; L93-A134 HydrophobicContact CB-CB 4.06Å
94P88.3Confident85.8Confident49 Ų4946.7 Ų46.732%0.31825%0.248SC..  trans-54.2128.8168-24.133.9000111.2F96 P125 V127 C133 A134P94-F96 HydrophobicContact CB-CE2 4.41Å; P94-P125 HydrophobicContact CB-CB 4.45Å; P94-P125 HydrophobicContact CB-CG 4.43Å; P94-V127 HydrophobicContact CB-CG2 3.67Å; P94-V127 HydrophobicContact CG-CG2 3.95Å; P94-C133 WeakPolarHBondContact O-CA 3.49Å; P94-A134 PolarHBondContact O-N 2.8Å
95T87.6Confident85.8Confident47 Ų4751.2 Ų51.229%0.28827%0.268SS..EExtended strand (participates in β ladder)trans-101.5132-175.741.80000112L93 A134L93-T95 PolarHBondContact O-N 3.33Å; T95-A134 CarbonylContact C-O 3.54Å; T95-A134 WeakPolarHBondContact CA-O 3.41Å; T95-A134 HydrophobicContact CG2-CB 3.65Å
96F88.8Confident85.7Confident2 Ų250.8 Ų50.81%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-118.5126.7175.7-70.3-87.4000110.9P94 L117 L124 P125 V127 C133 A134 I135 S136 M156 F166P94-F96 HydrophobicContact CB-CE2 4.41Å; F96-L117 HydrophobicContact CB-CD2 3.95Å; F96-L117 HydrophobicContact CD1-CD2 4.23Å; F96-L117 HydrophobicContact CG-CD2 4.47Å; F96-L124 HydrophobicContact CD1-CD2 4.14Å; F96-L124 HydrophobicContact CE1-CB 4.3Å; F96-L124 HydrophobicContact CE1-CD2 4.41Å; F96-P125 HydrophobicContact CD1-CG 4.17Å; F96-P125 HydrophobicContact CD2-CG 4.48Å; F96-P125 HydrophobicContact CE1-CG 3.71Å; F96-P125 HydrophobicContact CE2-CG 4.05Å; F96-P125 HydrophobicContact CZ-CG 3.65Å; F96-V127 HydrophobicContact CE2-CB 4.46Å; F96-V127 HydrophobicContact CE2-CG2 3.88Å; F96-V127 HydrophobicContact CZ-CB 4.08Å; F96-V127 HydrophobicContact CZ-CG2 3.67Å; F96-C133 HydrophobicContact CD2-CB 3.7Å; F96-C133 HydrophobicContact CE2-CB 3.66Å; F96-A134 PolarHBondContact N-O 2.82Å; F96-I135 CarbonylContact O-C 3.46Å; F96-I135 WeakPolarHBondContact O-CA 3.47Å; F96-S136 PolarHBondContact O-N 2.82Å; F96-M156 HydrophobicContact CE1-CE 4.41Å; F96-F166 HydrophobicContact CD1-CE2 4.12Å; F96-F166 AromaticContact CD1-CZ 3.68Å; F96-F166 HydrophobicContact CD1-CZ 3.68Å; F96-F166 AromaticContact CD2-CE1 3.89Å; F96-F166 HydrophobicContact CD2-CE1 3.89Å; F96-F166 HydrophobicContact CD2-CE2 4.41Å; F96-F166 AromaticContact CD2-CZ 3.67Å; F96-F166 HydrophobicContact CD2-CZ 3.67Å; F96-F166 HydrophobicContact CE1-CE1 4.4Å; F96-F166 HydrophobicContact CE1-CE2 4.4Å; F96-F166 AromaticContact CE1-CZ 3.58Å; F96-F166 HydrophobicContact CE1-CZ 3.58Å; F96-F166 AromaticContact CE2-CE1 3.61Å; F96-F166 HydrophobicContact CE2-CE1 3.61Å; F96-F166 AromaticContact CE2-CZ 3.57Å; F96-F166 HydrophobicContact CE2-CZ 3.57Å; F96-F166 HydrophobicContact CG-CE1 4.39Å; F96-F166 HydrophobicContact CG-CE2 4.12Å; F96-F166 AromaticContact CG-CZ 3.72Å; F96-F166 HydrophobicContact CG-CZ 3.72Å; F96-F166 AromaticContact CZ-CE1 3.89Å; F96-F166 HydrophobicContact CZ-CE1 3.89Å; F96-F166 AromaticContact CZ-CZ 3.52Å; F96-F166 HydrophobicContact CZ-CZ 3.52Å
97T89.1Confident85.5Confident43 Ų4352.3 Ų52.326%0.26428%0.275SS..EExtended strand (participates in β ladder)trans-89137.5-176.6-54.10000111.6V118 V138T97-V118 HydrophobicContact CG2-CB 4.18Å; T97-V118 HydrophobicContact CG2-CG2 4.46Å; T97-V118 PolarHBondContact O-N 3.01Å; T97-V138 HydrophobicContact CG2-CG2 3.8Å
98T89.6Confident85.2Confident0 Ų054.3 Ų54.30%030%0.302CS..EExtended strand (participates in β ladder)trans-133.6159.8-179.658.20000112.4L112 L117 I135 S136 L137 V138T98-L112 HydrophobicContact CG2-CD1 3.65Å; T98-L112 HydrophobicContact CG2-CD2 3.51Å; T98-L112 HydrophobicContact CG2-CG 4.24Å; T98-L117 HydrophobicContact CG2-CD2 4.17Å; T98-I135 HydrophobicContact CG2-CG2 3.75Å; T98-S136 PolarHBondContact N-O 3.43Å; T98-S136 PolarHBondContact OG1-O 3.31Å; T98-L137 WeakPolarHBondContact O-CA 3.49Å; T98-V138 PolarHBondContact O-N 2.83Å; T98-V138 VanDerWaalsContact O-N 3.08Å
99W87.2Confident85Confident139 Ų13952.1 Ų52.153%0.52729%0.293SS..  trans-73.4143.6176.9-66.7100.7000112.3L101 V102 V118 V138W99-L101 PolarHBondContact O-N 2.93Å; W99-L101 VanDerWaalsContact O-N 3.12Å; W99-V102 HydrophobicContact CB-CG2 4.2Å; W99-V102 VanDerWaalsContact O-CB 3.31Å; W99-V102 WeakPolarHBondContact O-CB 3.44Å; W99-V102 PolarHBondContact O-N 2.73Å; W99-V118 HydrophobicContact CD2-CG2 3.93Å; W99-V118 HydrophobicContact CG-CG2 4.01Å; W99-V118 HydrophobicContact CZ2-CG2 4.17Å; W99-V138 HydrophobicContact CE3-CG2 4.37Å
100P84.1Confident85.2Confident70 Ų7052.8 Ų52.846%0.45530%0.304SS..Hα-helixtrans-53.5-33176.7-29.636.4000115.1V102 L103P100-V102 PolarHBondContact O-N 3.09Å; P100-L103 WeakPolarHBondContact O-CB 3.21Å; P100-L103 PolarHBondContact O-N 3.43Å
101L83.4Confident85.7Confident128 Ų12854.8 Ų54.867%0.6731%0.314SS*.Hα-helixtrans-62.1-24.4176.2-174.363.1000113.3W99W99-L101 PolarHBondContact O-N 2.93Å; W99-L101 VanDerWaalsContact O-N 3.12Å
102V85.6Confident86.1Confident31 Ų3150 Ų5019%0.18829%0.288CS..Hα-helixtrans-77.3-29.3177.1-173.30000110.6W99 P100 E104 K105 L106 L112W99-V102 HydrophobicContact CB-CG2 4.2Å; W99-V102 VanDerWaalsContact O-CB 3.31Å; W99-V102 WeakPolarHBondContact O-CB 3.44Å; W99-V102 PolarHBondContact O-N 2.73Å; P100-V102 PolarHBondContact O-N 3.09Å; V102-E104 VanDerWaalsContact C-N 3.35Å; V102-E104 PolarHBondContact O-N 3.39Å; V102-K105 WeakPolarHBondContact O-CA 3.46Å; V102-K105 WeakPolarHBondContact O-CB 3.39Å; V102-K105 PolarHBondContact O-N 3.07Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CD2 4.4Å; V102-L106 HydrophobicContact CG1-CG 4.02Å; V102-L106 WeakPolarHBondContact O-CG 3.05Å; V102-L106 PolarHBondContact O-N 2.86Å; V102-L112 HydrophobicContact CG1-CD1 3.79Å
103L84.1Confident86.5Confident39 Ų3953.9 Ų53.920%0.20431%0.307CS..Hα-helixtrans-52.4-49.6178.9-177.569.8000111.9P100 K105 L106 V107 L137 V144P100-L103 WeakPolarHBondContact O-CB 3.21Å; P100-L103 PolarHBondContact O-N 3.43Å; L103-K105 PolarHBondContact O-N 2.79Å; L103-K105 VanDerWaalsContact O-N 3.08Å; L103-L106 PolarHBondContact O-N 2.86Å; L103-L106 VanDerWaalsContact O-N 3.07Å; L103-V107 HydrophobicContact CD1-CG2 4.11Å; L103-V107 HydrophobicContact CG-CG2 4.11Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 2.88Å; L103-L137 HydrophobicContact CB-CD2 4.27Å; L103-L137 HydrophobicContact CD1-CD1 4.39Å; L103-L137 HydrophobicContact CD2-CD1 4.03Å; L103-V144 HydrophobicContact CD1-CB 3.74Å; L103-V144 HydrophobicContact CD1-CG1 4.2Å; L103-V144 HydrophobicContact CD1-CG2 3.83Å
104E83.3Confident86.5Confident122 Ų12253.1 Ų53.157%0.5730%0.303SS*.Hα-helixtrans-53.9-33.4178.9-64.9-176.7172.100112.8V102 G108V102-E104 VanDerWaalsContact C-N 3.35Å; V102-E104 PolarHBondContact O-N 3.39Å; E104-G108 PolarHBondContact O-N 2.69Å
105K87.4Confident86.4Confident116 Ų11655.1 Ų55.150%0.50432%0.316SS..Hα-helixtrans-82.5-37.8-178.7-46.2-48.9176.1-138.30110.7V102 L103 G108 G109 A110V102-K105 WeakPolarHBondContact O-CA 3.46Å; V102-K105 WeakPolarHBondContact O-CB 3.39Å; V102-K105 PolarHBondContact O-N 3.07Å; L103-K105 PolarHBondContact O-N 2.79Å; L103-K105 VanDerWaalsContact O-N 3.08Å; K105-G108 CarbonylContact O-C 3.58Å; K105-G108 WeakPolarHBondContact O-CA 2.94Å; K105-G108 PolarHBondContact O-N 3.39Å; K105-G109 PolarHBondContact O-N 2.87Å; K105-A110 HydrophobicContact CB-CB 4.31Å; K105-A110 WeakPolarHBondContact O-CB 3.49Å; K105-A110 PolarHBondContact O-N 2.85Å
106L85.4Confident86.3Confident1 Ų153.4 Ų53.41%0.00531%0.308CS..Hα-helixtrans-61.8-46.3172.9-61.8171.4000111.3V102 L103 G108 G109 L112 I135 V168V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CD2 4.4Å; V102-L106 HydrophobicContact CG1-CG 4.02Å; V102-L106 WeakPolarHBondContact O-CG 3.05Å; V102-L106 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 2.86Å; L103-L106 VanDerWaalsContact O-N 3.07Å; L106-G108 PolarHBondContact O-N 3.27Å; L106-G109 WeakPolarHBondContact O-CA 3.23Å; L106-G109 PolarHBondContact O-N 2.79Å; L106-L112 HydrophobicContact CD2-CB 4.06Å; L106-I135 HydrophobicContact CD1-CG2 4.22Å; L106-V168 HydrophobicContact CD2-CG2 3.71Å
107V82.3Confident86.1Confident31 Ų3153.7 Ų53.719%0.18831%0.31CS..Hα-helixtrans-60.7-34174.7176.60000111.3L103 G109 Q173L103-V107 HydrophobicContact CD1-CG2 4.11Å; L103-V107 HydrophobicContact CG-CG2 4.11Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 2.88Å; V107-G109 PolarHBondContact O-N 3.47Å; V107-Q173 HydrophobicContact CG1-CB 3.96Å
108G81.6Confident85.7Confident64 Ų6453.2 Ų53.266%0.6631%0.307SS*.THydrogen-bonded Turntrans-67.6-4.717000000115.1E104 K105 L106E104-G108 PolarHBondContact O-N 2.69Å; K105-G108 CarbonylContact O-C 3.58Å; K105-G108 WeakPolarHBondContact O-CA 2.94Å; K105-G108 PolarHBondContact O-N 3.39Å; L106-G108 PolarHBondContact O-N 3.27Å
109G80.9Confident85Confident39 Ų3958.2 Ų58.240%0.40233%0.331SS..THydrogen-bonded Turntrans83.722.2-178.900000114.8K105 L106 V107K105-G109 PolarHBondContact O-N 2.87Å; L106-G109 WeakPolarHBondContact O-CA 3.23Å; L106-G109 PolarHBondContact O-N 2.79Å; V107-G109 PolarHBondContact O-N 3.47Å
110A88.6Confident84.4Confident42 Ų4253.7 Ų53.735%0.34732%0.32SS..  trans-79.6152.6172.200000112.2K105 V168K105-A110 HydrophobicContact CB-CB 4.31Å; K105-A110 WeakPolarHBondContact O-CB 3.49Å; K105-A110 PolarHBondContact O-N 2.85Å; A110-V168 WeakPolarHBondContact O-CG2 3.18Å
111D91.4Very high83.2Confident56 Ų5657.4 Ų57.430%0.29934%0.344SS..  trans-72.1153.2170.1-69.9-26.7000111.3M113 R164 S167 V168D111-M113 PolarHBondContact O-N 3.49Å; D111-R164 IonicContact OD2-NH1 3.68Å; D111-S167 WeakPolarHBondContact OD1-CA 3.23Å; D111-V168 PolarHBondContact OD1-N 2.98Å
112L90Very high82.2Confident1 Ų155.5 Ų55.51%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-79.8109.9175.8178.454.6000110.2T98 V102 L106 L117 I135 G165 F166 V168T98-L112 HydrophobicContact CG2-CD1 3.65Å; T98-L112 HydrophobicContact CG2-CD2 3.51Å; T98-L112 HydrophobicContact CG2-CG 4.24Å; V102-L112 HydrophobicContact CG1-CD1 3.79Å; L106-L112 HydrophobicContact CD2-CB 4.06Å; L112-L117 HydrophobicContact CD2-CD2 3.95Å; L112-I135 HydrophobicContact CB-CD1 4.34Å; L112-I135 HydrophobicContact CD2-CD1 3.79Å; L112-I135 HydrophobicContact CD2-CG1 3.99Å; L112-I135 HydrophobicContact CD2-CG2 4.05Å; L112-G165 PolarHBondContact O-N 2.82Å; L112-F166 HydrophobicContact CB-CB 4.15Å; L112-F166 HydrophobicContact CB-CD2 4.33Å; L112-F166 HydrophobicContact CD2-CD2 3.7Å; L112-F166 HydrophobicContact CD2-CE2 4.35Å; L112-F166 HydrophobicContact CD2-CG 4.49Å; L112-F166 HydrophobicContact CG-CD2 4.09Å; L112-F166 PolarHBondContact N-O 3.28Å; L112-F166 PolarHBondContact O-N 2.81Å; L112-F166 VanDerWaalsContact O-N 3.17Å; L112-V168 HydrophobicContact CB-CG2 4.39Å
113M90.9Very high81.4Confident95 Ų9555.7 Ų55.747%0.46836%0.355SS..EExtended strand (participates in β ladder)trans-76.9140.9174-59-59.5-72.900110.7D111 P115 G116 G163 R164D111-M113 PolarHBondContact O-N 3.49Å; M113-P115 VanDerWaalsContact C-CD 3.42Å; M113-G116 PolarHBondContact O-N 2.88Å; M113-G163 WeakPolarHBondContact CA-O 3.44Å; M113-G163 WeakPolarHBondContact CE-O 3.28Å; M113-R164 HydrophobicContact CE-CG 4.22Å; M113-R164 HydrophobicContact SD-CB 4.31Å; M113-R164 HydrophobicContact SD-CG 3.5Å; M113-R164 WeakPolarHBondContact SD-CG 3.39Å
114L86.9Confident81.1Confident0 Ų055 Ų550%035%0.351CS..G310 helixtrans-55.5-36.3-177.4-67.4179.9000115.5G116 L117 M151 M156 L161 G163L114-G116 PolarHBondContact O-N 3.04Å; L114-G116 VanDerWaalsContact O-N 3.14Å; L114-L117 HydrophobicContact CD2-CD1 3.64Å; L114-L117 WeakPolarHBondContact O-CB 3.29Å; L114-L117 PolarHBondContact O-N 2.88Å; L114-M151 HydrophobicContact CD1-SD 4.11Å; L114-M156 HydrophobicContact CD1-CB 4.18Å; L114-M156 HydrophobicContact CD1-CG 4.18Å; L114-M156 HydrophobicContact CD2-CB 3.95Å; L114-M156 HydrophobicContact CD2-CE 3.41Å; L114-M156 VanDerWaalsContact CD2-CE 3.41Å; L114-M156 HydrophobicContact CD2-CG 3.65Å; L114-M156 HydrophobicContact CD2-SD 4.17Å; L114-L161 CarbonylContact C-O 3.55Å; L114-L161 HydrophobicContact CB-CB 4.04Å; L114-L161 HydrophobicContact CB-CD2 4.41Å; L114-L161 VanDerWaalsContact CB-O 3.23Å; L114-L161 WeakPolarHBondContact CB-O 3.28Å; L114-G163 PolarHBondContact N-O 3.07Å
115P86.8Confident81.1Confident91 Ų9151.4 Ų51.459%0.59134%0.339SS*.G310 helixtrans-65.3-13174.5-21.132.9000114.8M113 L161M113-P115 VanDerWaalsContact C-CD 3.42Å; P115-L161 WeakPolarHBondContact CD-O 3.38Å; P115-L161 VanDerWaalsContact CG-O 3.26Å; P115-L161 WeakPolarHBondContact CG-O 3.37Å
116G84.4Confident81Confident11 Ų1154.3 Ų54.311%0.11335%0.354CS..G310 helixtrans-85.9-7.9178.100000114.4M113 L114M113-G116 PolarHBondContact O-N 2.88Å; L114-G116 PolarHBondContact O-N 3.04Å; L114-G116 VanDerWaalsContact O-N 3.14Å
117L85.6Confident81.2Confident9 Ų954.5 Ų54.55%0.04736%0.355CS..BIsolated β-bridgetrans-76.5141.9176.1-70.4160.7000111F96 T98 L112 L114 M156 F166F96-L117 HydrophobicContact CB-CD2 3.95Å; F96-L117 HydrophobicContact CD1-CD2 4.23Å; F96-L117 HydrophobicContact CG-CD2 4.47Å; T98-L117 HydrophobicContact CG2-CD2 4.17Å; L112-L117 HydrophobicContact CD2-CD2 3.95Å; L114-L117 HydrophobicContact CD2-CD1 3.64Å; L114-L117 WeakPolarHBondContact O-CB 3.29Å; L114-L117 PolarHBondContact O-N 2.88Å; L117-M156 HydrophobicContact CD1-CE 3.49Å; L117-M156 VanDerWaalsContact CD1-CE 3.49Å; L117-F166 HydrophobicContact CD1-CE2 3.98Å; L117-F166 HydrophobicContact CD2-CE2 4Å
118V80.4Confident81.5Confident32 Ų3258.1 Ų58.119%0.19437%0.37CS..PPolyproline II helixtrans-94.1122.4165.8-176.40000107.3T97 W99 P120 V138T97-V118 HydrophobicContact CG2-CB 4.18Å; T97-V118 HydrophobicContact CG2-CG2 4.46Å; T97-V118 PolarHBondContact O-N 3.01Å; W99-V118 HydrophobicContact CD2-CG2 3.93Å; W99-V118 HydrophobicContact CG-CG2 4.01Å; W99-V118 HydrophobicContact CZ2-CG2 4.17Å; V118-P120 VanDerWaalsContact O-CD 3.29Å; V118-P120 WeakPolarHBondContact O-CD 3.22Å; V118-V138 HydrophobicContact CB-CG2 4.35Å; V118-V138 HydrophobicContact CG1-CG2 4.44Å; V118-V138 HydrophobicContact CG2-CG2 3.59Å
119M74.7Confident82Confident105 Ų10561.8 Ų61.852%0.51737%0.368SS..PPolyproline II helixtrans-76.8119170.8-62.7-136.2-54.900109.2L157 L161M119-L157 HydrophobicContact SD-CD2 3.95Å; M119-L161 HydrophobicContact CG-CD1 4.07Å; M119-L161 HydrophobicContact SD-CD1 4.08Å
120P73.8Confident82.3Confident45 Ų4562.3 Ų62.329%0.29237%0.373SS..PPolyproline II helixtrans-67.3157.2170.2-14.930.5000110.5V118 A122 G123V118-P120 VanDerWaalsContact O-CD 3.29Å; V118-P120 WeakPolarHBondContact O-CD 3.22Å; P120-A122 PolarHBondContact O-N 2.86Å; P120-G123 WeakPolarHBondContact CD-O 3.36Å; P120-G123 WeakPolarHBondContact CG-O 3.48Å; P120-G123 PolarHBondContact O-N 2.8Å
121P60.9Low82.4Confident148 Ų14863.7 Ų63.796%0.96138%0.375SS*.THydrogen-bonded Turntrans-56.6-31.2171-24.834.8000113.3G123P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 2.89Å
122A61.4Low82.3Confident88 Ų8862.3 Ų62.373%0.72737%0.367SS*.THydrogen-bonded Turntrans-78.9-0.2176.500000114.5P120P120-A122 PolarHBondContact O-N 2.86Å
123G68.9Low82.3Confident35 Ų3562.3 Ų62.336%0.36137%0.367SS..  trans83.7177.9-173.600000114.2P120 P121P120-G123 WeakPolarHBondContact CD-O 3.36Å; P120-G123 WeakPolarHBondContact CG-O 3.48Å; P120-G123 PolarHBondContact O-N 2.8Å; P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 2.89Å
124L78.5Confident82.4Confident23 Ų2357.8 Ų57.812%0.1235%0.345CS..  trans-84.6143176.2-65.2174.8000110.2F96 T153 M156 L161F96-L124 HydrophobicContact CD1-CD2 4.14Å; F96-L124 HydrophobicContact CE1-CB 4.3Å; F96-L124 HydrophobicContact CE1-CD2 4.41Å; L124-T153 HydrophobicContact CB-CG2 3.67Å; L124-T153 HydrophobicContact CD1-CG2 4.47Å; L124-M156 HydrophobicContact CD1-CE 4.28Å; L124-L161 HydrophobicContact CD1-CD2 4.46Å
125P82.8Confident82.6Confident48 Ų4857.8 Ų57.831%0.31235%0.345SS..  trans-61.9144.8176.326.5-33.9000111.1P94 F96 V127 T153P94-P125 HydrophobicContact CB-CB 4.45Å; P94-P125 HydrophobicContact CB-CG 4.43Å; F96-P125 HydrophobicContact CD1-CG 4.17Å; F96-P125 HydrophobicContact CD2-CG 4.48Å; F96-P125 HydrophobicContact CE1-CG 3.71Å; F96-P125 HydrophobicContact CE2-CG 4.05Å; F96-P125 HydrophobicContact CZ-CG 3.65Å; P125-V127 HydrophobicContact CB-CG2 4.47Å; P125-V127 PolarHBondContact O-N 2.66Å; P125-T153 WeakPolarHBondContact O-CG2 3.31Å; P125-T153 PolarHBondContact O-OG1 3.45Å
126Q85.4Confident82.7Confident177 Ų17753.6 Ų53.683%0.82732%0.318SS*.  trans-78.1114.9-178.4-171.7175.49.200110.3
127V88.7Confident82.9Confident4 Ų454.4 Ų54.42%0.02432%0.32CS..  trans-140139.8-172.1178.80000109P94 F96 P125 D131 A149 S152 T153P94-V127 HydrophobicContact CB-CG2 3.67Å; P94-V127 HydrophobicContact CG-CG2 3.95Å; F96-V127 HydrophobicContact CE2-CB 4.46Å; F96-V127 HydrophobicContact CE2-CG2 3.88Å; F96-V127 HydrophobicContact CZ-CB 4.08Å; F96-V127 HydrophobicContact CZ-CG2 3.67Å; P125-V127 HydrophobicContact CB-CG2 4.47Å; P125-V127 PolarHBondContact O-N 2.66Å; V127-D131 HydrophobicContact CG1-CB 3.48Å; V127-D131 VanDerWaalsContact CG1-CB 3.48Å; V127-A149 HydrophobicContact CG1-CB 3.98Å; V127-S152 WeakPolarHBondContact O-CA 3.47Å; V127-T153 PolarHBondContact N-OG1 3.29Å; V127-T153 PolarHBondContact O-N 3.13Å; V127-T153 PolarHBondContact O-OG1 2.65Å
128Q89.9Confident82.8Confident107 Ų10757.2 Ų57.250%0.534%0.337SS..  trans-89.8160.4178-60.2-61.6-19.200111.8G130 D131 A149Q128-G130 PolarHBondContact O-N 3.15Å; Q128-D131 WeakPolarHBondContact CA-OD2 3.31Å; Q128-D131 WeakPolarHBondContact CB-OD2 3.42Å; Q128-D131 PolarHBondContact N-OD2 3.07Å; Q128-D131 WeakPolarHBondContact O-CB 3.49Å; Q128-D131 PolarHBondContact O-N 2.99Å; Q128-A149 VanDerWaalsContact O-CB 3.3Å; Q128-A149 WeakPolarHBondContact O-CB 3.44Å
129K90.8Very high82.6Confident141 Ų14158.7 Ų58.761%0.61336%0.359SS*.THydrogen-bonded Turntrans-66.4123.4173.5176.9176.6178.7177.90110.2A150K129-A150 WeakPolarHBondContact CD-O 3.42Å; K129-A150 VanDerWaalsContact CE-O 3.23Å; K129-A150 WeakPolarHBondContact CE-O 3.26Å; K129-A150 WeakPolarHBondContact CG-O 3.44Å
130G87.8Confident82.8Confident50 Ų5055.3 Ų55.352%0.51534%0.343SS..THydrogen-bonded Turntrans102.5-13.6-175.300000114Q128 V148 A149Q128-G130 PolarHBondContact O-N 3.15Å; G130-V148 WeakPolarHBondContact O-CG1 3.44Å; G130-A149 PolarHBondContact N-O 2.92Å
131D89.6Confident82.8Confident71 Ų7155.6 Ų55.638%0.3834%0.338SS..  trans-70.1152.1177.5-67.8-7.8000111.7V127 Q128 V148 A149V127-D131 HydrophobicContact CG1-CB 3.48Å; V127-D131 VanDerWaalsContact CG1-CB 3.48Å; Q128-D131 WeakPolarHBondContact CA-OD2 3.31Å; Q128-D131 WeakPolarHBondContact CB-OD2 3.42Å; Q128-D131 PolarHBondContact N-OD2 3.07Å; Q128-D131 WeakPolarHBondContact O-CB 3.49Å; Q128-D131 PolarHBondContact O-N 2.99Å; D131-V148 WeakPolarHBondContact O-CA 3.41Å; D131-A149 PolarHBondContact O-N 3.17Å
132L89.9Confident83.9Confident28 Ų2848.6 Ų48.615%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-88.6134.7179.2-170.958.5000110.9F30 Y80 L93 I146 G147 V148F30-L132 HydrophobicContact CE1-CD2 4.26Å; F30-L132 HydrophobicContact CZ-CD2 4.42Å; Y80-L132 HydrophobicContact CD1-CD1 3.56Å; Y80-L132 HydrophobicContact CD1-CD2 3.7Å; Y80-L132 HydrophobicContact CD1-CG 4.27Å; Y80-L132 HydrophobicContact CE1-CD1 4Å; Y80-L132 HydrophobicContact CE1-CD2 4.45Å; L93-L132 HydrophobicContact CD1-CD2 4.13Å; L93-L132 HydrophobicContact CD1-CG 3.9Å; L93-L132 HydrophobicContact CD2-CB 4.07Å; L93-L132 HydrophobicContact CD2-CD2 4.01Å; L93-L132 HydrophobicContact CD2-CG 3.92Å; L132-I146 HydrophobicContact CD1-CG2 3.68Å; L132-I146 HydrophobicContact CG-CG2 4.36Å; L132-G147 WeakPolarHBondContact CD1-O 3.47Å; L132-V148 HydrophobicContact CD1-CG2 3.96Å
133C90.8Very high85.2Confident0 Ų044.4 Ų44.40%026%0.258CS..EExtended strand (participates in β ladder)trans-136.9152.2-178.671.10000113.5P94 F96 G147 F166P94-C133 WeakPolarHBondContact O-CA 3.49Å; F96-C133 HydrophobicContact CD2-CB 3.7Å; F96-C133 HydrophobicContact CE2-CB 3.66Å; C133-G147 PolarHBondContact N-O 2.95Å; C133-G147 PolarHBondContact O-N 2.95Å; C133-G147 PolarHBondContact SG-O 2.76Å; C133-F166 HydrophobicContact CB-CE1 4.38Å; C133-F166 WeakPolarHBondContact SG-CD1 3.22Å; C133-F166 VanDerWaalsContact SG-CE1 3.55Å
134A91.7Very high86.1Confident0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-88.2139.2169.600000110.4L86 L93 P94 T95 F96 P143L86-A134 HydrophobicContact CD2-CB 3.77Å; L93-A134 HydrophobicContact CB-CB 4.06Å; P94-A134 PolarHBondContact O-N 2.8Å; T95-A134 CarbonylContact C-O 3.54Å; T95-A134 WeakPolarHBondContact CA-O 3.41Å; T95-A134 HydrophobicContact CG2-CB 3.65Å; F96-A134 PolarHBondContact N-O 2.82Å; A134-P143 HydrophobicContact CB-CB 4.04Å; A134-P143 HydrophobicContact CB-CG 3.89Å
135I91.1Very high86.7Confident0 Ų041.9 Ų41.90%024%0.236CC..EExtended strand (participates in β ladder)trans-114.1119.9173.8-60.5164.9000107.7F96 T98 L106 L112 P143 V144 A145 V168F96-I135 CarbonylContact O-C 3.46Å; F96-I135 WeakPolarHBondContact O-CA 3.47Å; T98-I135 HydrophobicContact CG2-CG2 3.75Å; L106-I135 HydrophobicContact CD1-CG2 4.22Å; L112-I135 HydrophobicContact CB-CD1 4.34Å; L112-I135 HydrophobicContact CD2-CD1 3.79Å; L112-I135 HydrophobicContact CD2-CG1 3.99Å; L112-I135 HydrophobicContact CD2-CG2 4.05Å; I135-P143 CarbonylContact O-C 3.5Å; I135-P143 WeakPolarHBondContact O-CA 3.4Å; I135-V144 WeakPolarHBondContact O-CG2 3.24Å; I135-V144 PolarHBondContact O-N 3.19Å; I135-A145 HydrophobicContact CB-CB 4.11Å; I135-A145 HydrophobicContact CD1-CB 4.11Å; I135-A145 PolarHBondContact N-O 3.32Å; I135-A145 PolarHBondContact O-N 2.75Å; I135-V168 HydrophobicContact CD1-CG2 4.23Å
136S90.2Very high87.2Confident4 Ų439.6 Ų39.63%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-115.7172.7179.3-59.60000111.1F96 T98 R141F96-S136 PolarHBondContact O-N 2.82Å; T98-S136 PolarHBondContact N-O 3.43Å; T98-S136 PolarHBondContact OG1-O 3.31Å; S136-R141 PolarHBondContact OG-O 3.2Å
137L87.3Confident87.5Confident28 Ų2831.1 Ų31.115%0.14718%0.182CC..EExtended strand (participates in β ladder)trans-108.3154.1-179.4-64.4178.8000111.9T98 L103 G139 N140 V144T98-L137 WeakPolarHBondContact O-CA 3.49Å; L103-L137 HydrophobicContact CB-CD2 4.27Å; L103-L137 HydrophobicContact CD1-CD1 4.39Å; L103-L137 HydrophobicContact CD2-CD1 4.03Å; L137-G139 PolarHBondContact O-N 3.21Å; L137-N140 PolarHBondContact O-N 3.39Å; L137-V144 HydrophobicContact CD1-CG1 3.78Å; L137-V144 HydrophobicContact CD1-CG2 4.43Å; L137-V144 HydrophobicContact CD2-CG2 3.98Å; L137-V144 HydrophobicContact CG-CB 4.47Å; L137-V144 HydrophobicContact CG-CG1 3.85Å; L137-V144 HydrophobicContact CG-CG2 3.83Å
138V84.9Confident87.6Confident67 Ų6732.3 Ų32.341%0.40619%0.189SC..THydrogen-bonded Turntrans-56.6123.2164.2-1780000109T97 T98 W99 V118T97-V138 HydrophobicContact CG2-CG2 3.8Å; T98-V138 PolarHBondContact O-N 2.83Å; T98-V138 VanDerWaalsContact O-N 3.08Å; W99-V138 HydrophobicContact CE3-CG2 4.37Å; V118-V138 HydrophobicContact CB-CG2 4.35Å; V118-V138 HydrophobicContact CG1-CG2 4.44Å; V118-V138 HydrophobicContact CG2-CG2 3.59Å
139G76.1Confident87.8Confident64 Ų6427.4 Ų27.466%0.6617%0.167SC*.THydrogen-bonded Turntrans93-6.8178.400000116.1L137L137-G139 PolarHBondContact O-N 3.21Å
140N78.3Confident87.8Confident33 Ų3322.4 Ų22.418%0.17615%0.152CC..EExtended strand (participates in β ladder)trans-145.1123.8169.9-170.5-4.1000111.4L137 A142 P186 I188L137-N140 PolarHBondContact O-N 3.39Å; N140-A142 VanDerWaalsContact C-N 3.26Å; N140-A142 PolarHBondContact O-N 3.28Å; N140-A142 WeakPolarHBondContact OD1-CB 3.42Å; N140-A142 PolarHBondContact OD1-N 3.43Å; N140-P186 PolarHBondContact ND2-O 3.33Å; N140-P186 PolarHBondContact OD1-O 3.08Å; N140-I188 PolarHBondContact OD1-N 2.82Å; N140-I188 PolarHBondContact OD1-O 3.37Å
141R73.9Confident87.8Confident52 Ų5222.2 Ų22.220%0.19614%0.138CC..EExtended strand (participates in β ladder)trans-67.9-26.2178.1-170.3-177.6-166.8-130.9-5.9112.1D91 S136 P143 I188D91-R141 IonicContact OD1-CZ 3.35Å; D91-R141 IonicContact OD1-NH1 3.15Å; D91-R141 PolarHBondContact OD1-NH1 3.02Å; D91-R141 VanDerWaalsContact OD1-NH1 3.15Å; D91-R141 IonicContact OD1-NH2 2.66Å; D91-R141 PolarHBondContact OD1-NH2 3.45Å; D91-R141 IonicContact OD2-NH1 3.64Å; S136-R141 PolarHBondContact OG-O 3.2Å; R141-P143 VanDerWaalsContact O-CD 3.24Å; R141-P143 WeakPolarHBondContact O-CD 3.37Å; R141-I188 HydrophobicContact CB-CB 3.93Å; R141-I188 HydrophobicContact CB-CG2 3.8Å; R141-I188 VanDerWaalsContact CB-O 3.32Å; R141-I188 WeakPolarHBondContact CB-O 3.49Å; R141-I188 HydrophobicContact CG-CG2 4.22Å; R141-I188 PolarHBondContact N-O 2.93Å
142A83.9Confident87.9Confident0 Ų019.6 Ų19.60%013%0.125CC..EExtended strand (participates in β ladder)trans-56.2119.1-179.400000112N140 V144 P185 P186 I188N140-A142 VanDerWaalsContact C-N 3.26Å; N140-A142 PolarHBondContact O-N 3.28Å; N140-A142 WeakPolarHBondContact OD1-CB 3.42Å; N140-A142 PolarHBondContact OD1-N 3.43Å; A142-V144 PolarHBondContact O-N 3.35Å; A142-P185 HydrophobicContact CB-CB 4.21Å; A142-P186 HydrophobicContact CB-CG 4.19Å; A142-P186 VanDerWaalsContact CB-O 3.23Å; A142-P186 WeakPolarHBondContact CB-O 3.33Å; A142-I188 HydrophobicContact CB-CD1 4.07Å; A142-I188 HydrophobicContact CB-CG1 4.22Å
143P88.4Confident87.8Confident0 Ų018.7 Ų18.70%012%0.121CC..EExtended strand (participates in β ladder)trans-64.8133.2-177.5-31.342.8000113L86 W87 A134 I135 R141L86-P143 HydrophobicContact CD2-CB 3.54Å; L86-P143 HydrophobicContact CD2-CG 3.81Å; L86-P143 HydrophobicContact CG-CB 4.02Å; L86-P143 HydrophobicContact CG-CG 3.82Å; W87-P143 PolarHBondContact NE1-O 3.13Å; A134-P143 HydrophobicContact CB-CB 4.04Å; A134-P143 HydrophobicContact CB-CG 3.89Å; I135-P143 CarbonylContact O-C 3.5Å; I135-P143 WeakPolarHBondContact O-CA 3.4Å; R141-P143 VanDerWaalsContact O-CD 3.24Å; R141-P143 WeakPolarHBondContact O-CD 3.37Å
144V89Confident87.5Confident5 Ų521.7 Ų21.73%0.0315%0.146CC..EExtended strand (participates in β ladder)trans-100.3-16.7179.6-65.70000112.9L103 I135 L137 A142 T171 Y172L103-V144 HydrophobicContact CD1-CB 3.74Å; L103-V144 HydrophobicContact CD1-CG1 4.2Å; L103-V144 HydrophobicContact CD1-CG2 3.83Å; I135-V144 WeakPolarHBondContact O-CG2 3.24Å; I135-V144 PolarHBondContact O-N 3.19Å; L137-V144 HydrophobicContact CD1-CG1 3.78Å; L137-V144 HydrophobicContact CD1-CG2 4.43Å; L137-V144 HydrophobicContact CD2-CG2 3.98Å; L137-V144 HydrophobicContact CG-CB 4.47Å; L137-V144 HydrophobicContact CG-CG1 3.85Å; L137-V144 HydrophobicContact CG-CG2 3.83Å; A142-V144 PolarHBondContact O-N 3.35Å; V144-T171 CarbonylContact O-C 3.4Å; V144-T171 WeakPolarHBondContact O-CA 3.24Å; V144-T171 PolarHBondContact O-OG1 2.9Å; V144-T171 VanDerWaalsContact O-OG1 3.08Å; V144-Y172 WeakPolarHBondContact O-CB 3.24Å; V144-Y172 PolarHBondContact O-N 3.12Å
145A90.8Very high87.3Confident0 Ų026 Ų260%017%0.166CC..EExtended strand (participates in β ladder)trans-150.8161.7173.100000112I135 V168 H170I135-A145 HydrophobicContact CB-CB 4.11Å; I135-A145 HydrophobicContact CD1-CB 4.11Å; I135-A145 PolarHBondContact N-O 3.32Å; I135-A145 PolarHBondContact O-N 2.75Å; A145-V168 HydrophobicContact CB-CG1 4.2Å; A145-H170 CarbonylContact C-O 3.56Å; A145-H170 VanDerWaalsContact CA-O 3.26Å; A145-H170 WeakPolarHBondContact CA-O 3.34Å; A145-H170 WeakPolarHBondContact CB-O 3.23Å
146I92.3Very high87.1Confident0 Ų026 Ų260%017%0.166CC..EExtended strand (participates in β ladder)trans-125.1126.8176.8-63.2176.4000106.8P81 V83 L86 L132 L169 H170P81-I146 HydrophobicContact CG-CD1 4.22Å; P81-I146 WeakPolarHBondContact O-CD1 3.37Å; V83-I146 HydrophobicContact CG2-CD1 4.23Å; V83-I146 HydrophobicContact CG2-CG1 4.24Å; L86-I146 HydrophobicContact CB-CD1 4.37Å; L86-I146 HydrophobicContact CD2-CD1 3.67Å; L86-I146 HydrophobicContact CD2-CG1 3.6Å; L132-I146 HydrophobicContact CD1-CG2 3.68Å; L132-I146 HydrophobicContact CG-CG2 4.36Å; I146-L169 PolarHBondContact O-N 3.02Å; I146-H170 HydrophobicContact CB-CB 4.49Å; I146-H170 PolarHBondContact N-O 3.05Å; I146-H170 PolarHBondContact O-N 3.28Å; I146-H170 VanDerWaalsContact O-N 3.14Å
147G91.8Very high86.8Confident0 Ų030.1 Ų30.10%019%0.187CC..EExtended strand (participates in β ladder)trans-144.5165.8-175.400000112.5L132 C133 S167L132-G147 WeakPolarHBondContact CD1-O 3.47Å; C133-G147 PolarHBondContact N-O 2.95Å; C133-G147 PolarHBondContact O-N 2.95Å; C133-G147 PolarHBondContact SG-O 2.76Å; G147-S167 CarbonylContact C-O 3.6Å; G147-S167 WeakPolarHBondContact CA-O 3.44Å
148V92.3Very high86.8Confident29 Ų2934.8 Ų34.818%0.17622%0.217CC..EExtended strand (participates in β ladder)trans-109134.11781710000109.3Y80 G130 D131 L132 A150 F166 S167 L169Y80-V148 HydrophobicContact CE1-CG2 4.12Å; G130-V148 WeakPolarHBondContact O-CG1 3.44Å; D131-V148 WeakPolarHBondContact O-CA 3.41Å; L132-V148 HydrophobicContact CD1-CG2 3.96Å; V148-A150 PolarHBondContact O-N 2.84Å; V148-F166 CarbonylContact O-C 3.58Å; V148-F166 WeakPolarHBondContact O-CA 3.4Å; V148-S167 PolarHBondContact N-O 3.33Å; V148-S167 PolarHBondContact O-N 2.97Å; V148-L169 HydrophobicContact CG2-CD1 3.74Å; V148-L169 HydrophobicContact CG2-CG 4.33Å
149A92.2Very high86.7Confident3 Ų333.6 Ų33.63%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-63117.3178.300000111.4V127 Q128 G130 D131 F166V127-A149 HydrophobicContact CG1-CB 3.98Å; Q128-A149 VanDerWaalsContact O-CB 3.3Å; Q128-A149 WeakPolarHBondContact O-CB 3.44Å; G130-A149 PolarHBondContact N-O 2.92Å; D131-A149 PolarHBondContact O-N 3.17Å; A149-F166 HydrophobicContact CB-CD1 4Å; A149-F166 HydrophobicContact CB-CE1 3.89Å
150A91.5Very high87Confident37 Ų3733.1 Ų33.131%0.30621%0.206SC..SBendtrans-85.2-19.2177.500000112.8K129 V148 G165K129-A150 WeakPolarHBondContact CD-O 3.42Å; K129-A150 VanDerWaalsContact CE-O 3.23Å; K129-A150 WeakPolarHBondContact CE-O 3.26Å; K129-A150 WeakPolarHBondContact CG-O 3.44Å; V148-A150 PolarHBondContact O-N 2.84Å; A150-G165 WeakPolarHBondContact CB-O 3.33Å; A150-G165 PolarHBondContact N-O 3.05Å
151M87.5Confident87.2Confident46 Ų4633.2 Ų33.223%0.22721%0.207CC..SBendtrans-138.1152.2177.6-62.2178.866.300108L114 E155 M156L114-M151 HydrophobicContact CD1-SD 4.11Å; M151-E155 WeakPolarHBondContact CA-OE2 3.41Å; M151-E155 HydrophobicContact CB-CB 4.24Å; M151-E155 HydrophobicContact CE-CB 3.82Å; M151-M156 HydrophobicContact CB-CG 3.91Å
152S91.6Very high87.7Confident16 Ų1638.4 Ų38.411%0.11223%0.231CC..  trans-74.9155.8173.1650000111.4V127 A154 E155 M156V127-S152 WeakPolarHBondContact O-CA 3.47Å; S152-A154 PolarHBondContact O-N 3.32Å; S152-A154 VanDerWaalsContact O-N 3.1Å; S152-E155 PolarHBondContact N-OE2 3.16Å; S152-E155 PolarHBondContact O-N 3.34Å; S152-E155 WeakPolarHBondContact OG-CG 3.39Å; S152-E155 PolarHBondContact OG-N 3.14Å; S152-E155 PolarHBondContact OG-OE2 3.29Å; S152-M156 VanDerWaalsContact O-CG 3.25Å; S152-M156 WeakPolarHBondContact O-CG 3.35Å; S152-M156 PolarHBondContact O-N 2.7Å
153T87.5Confident87.8Confident9 Ų939.9 Ų39.96%0.05525%0.246CC..Hα-helixtrans-53.9-35.7179.3-50.60000112.6L124 P125 V127 M156 L157L124-T153 HydrophobicContact CB-CG2 3.67Å; L124-T153 HydrophobicContact CD1-CG2 4.47Å; P125-T153 WeakPolarHBondContact O-CG2 3.31Å; P125-T153 PolarHBondContact O-OG1 3.45Å; V127-T153 PolarHBondContact N-OG1 3.29Å; V127-T153 PolarHBondContact O-N 3.13Å; V127-T153 PolarHBondContact O-OG1 2.65Å; T153-M156 PolarHBondContact O-N 2.92Å; T153-L157 HydrophobicContact CG2-CD1 4.16Å; T153-L157 WeakPolarHBondContact O-CD1 3.39Å; T153-L157 WeakPolarHBondContact O-CG 3.26Å; T153-L157 PolarHBondContact O-N 3.34Å; T153-L157 VanDerWaalsContact O-N 3.11Å
154A86Confident87.8Confident63 Ų6347.3 Ų47.352%0.52127%0.274SS..Hα-helixtrans-63.7-48.6175.100000112.1S152 M156 L157 T158S152-A154 PolarHBondContact O-N 3.32Å; S152-A154 VanDerWaalsContact O-N 3.1Å; A154-M156 VanDerWaalsContact C-N 3.3Å; A154-M156 PolarHBondContact O-N 3.27Å; A154-L157 PolarHBondContact O-N 3.19Å; A154-T158 WeakPolarHBondContact O-CB 3.36Å; A154-T158 PolarHBondContact O-N 3.42Å; A154-T158 PolarHBondContact O-OG1 3.03Å
155E87.1Confident87.7Confident90 Ų9047 Ų4742%0.42127%0.272SS..Hα-helixtrans-63.2-35.6176.2-67.5169.4149.100112.2M151 S152 S159M151-E155 WeakPolarHBondContact CA-OE2 3.41Å; M151-E155 HydrophobicContact CB-CB 4.24Å; M151-E155 HydrophobicContact CE-CB 3.82Å; S152-E155 PolarHBondContact N-OE2 3.16Å; S152-E155 PolarHBondContact O-N 3.34Å; S152-E155 WeakPolarHBondContact OG-CG 3.39Å; S152-E155 PolarHBondContact OG-N 3.14Å; S152-E155 PolarHBondContact OG-OE2 3.29Å; E155-S159 VanDerWaalsContact O-CB 3.22Å; E155-S159 WeakPolarHBondContact O-CB 3.28Å; E155-S159 PolarHBondContact O-N 3.23Å; E155-S159 PolarHBondContact O-OG 3.11Å
156M86.4Confident87.8Confident1 Ų147 Ų471%0.00527%0.272CS..Hα-helixtrans-63.2-42.5177.1-63.5166.757.400111.7F96 L114 L117 L124 M151 S152 T153 A154 S159 L161 F166F96-M156 HydrophobicContact CE1-CE 4.41Å; L114-M156 HydrophobicContact CD1-CB 4.18Å; L114-M156 HydrophobicContact CD1-CG 4.18Å; L114-M156 HydrophobicContact CD2-CB 3.95Å; L114-M156 HydrophobicContact CD2-CE 3.41Å; L114-M156 VanDerWaalsContact CD2-CE 3.41Å; L114-M156 HydrophobicContact CD2-CG 3.65Å; L114-M156 HydrophobicContact CD2-SD 4.17Å; L117-M156 HydrophobicContact CD1-CE 3.49Å; L117-M156 VanDerWaalsContact CD1-CE 3.49Å; L124-M156 HydrophobicContact CD1-CE 4.28Å; M151-M156 HydrophobicContact CB-CG 3.91Å; S152-M156 VanDerWaalsContact O-CG 3.25Å; S152-M156 WeakPolarHBondContact O-CG 3.35Å; S152-M156 PolarHBondContact O-N 2.7Å; T153-M156 PolarHBondContact O-N 2.92Å; A154-M156 VanDerWaalsContact C-N 3.3Å; A154-M156 PolarHBondContact O-N 3.27Å; M156-S159 PolarHBondContact O-OG 3.21Å; M156-S159 VanDerWaalsContact O-OG 3.06Å; M156-L161 PolarHBondContact O-N 3.4Å; M156-L161 VanDerWaalsContact O-N 3.14Å; M156-F166 HydrophobicContact CE-CE2 3.5Å; M156-F166 VanDerWaalsContact CE-CE2 3.5Å; M156-F166 HydrophobicContact CE-CZ 3.49Å; M156-F166 VanDerWaalsContact CE-CZ 3.49Å; M156-F166 HydrophobicContact SD-CE2 4.41Å; M156-F166 HydrophobicContact SD-CZ 3.98Å
157L84.8Confident87.8Confident89 Ų8949.4 Ų49.447%0.46629%0.289SS..Hα-helixtrans-69.5-49.6175.2-71.5161.3000111.2M119 T153 A154 S159 G160M119-L157 HydrophobicContact SD-CD2 3.95Å; T153-L157 HydrophobicContact CG2-CD1 4.16Å; T153-L157 WeakPolarHBondContact O-CD1 3.39Å; T153-L157 WeakPolarHBondContact O-CG 3.26Å; T153-L157 PolarHBondContact O-N 3.34Å; T153-L157 VanDerWaalsContact O-N 3.11Å; A154-L157 PolarHBondContact O-N 3.19Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.36Å; L157-G160 PolarHBondContact O-N 3.43Å
158T86.6Confident87.8Confident126 Ų12650 Ų5077%0.77329%0.292SS*.Hα-helixtrans-63.3-32.5-178.6-55.60000113.2A154 G160A154-T158 WeakPolarHBondContact O-CB 3.36Å; A154-T158 PolarHBondContact O-N 3.42Å; A154-T158 PolarHBondContact O-OG1 3.03Å; T158-G160 PolarHBondContact O-N 2.69Å
159S83.6Confident87.7Confident43 Ų4349.6 Ų49.630%0.30129%0.289SS..THydrogen-bonded Turntrans-73.7-0.7175.359.70000114.4E155 M156 L157 L161E155-S159 VanDerWaalsContact O-CB 3.22Å; E155-S159 WeakPolarHBondContact O-CB 3.28Å; E155-S159 PolarHBondContact O-N 3.23Å; E155-S159 PolarHBondContact O-OG 3.11Å; M156-S159 PolarHBondContact O-OG 3.21Å; M156-S159 VanDerWaalsContact O-OG 3.06Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.36Å; S159-L161 VanDerWaalsContact C-N 3.32Å
160G81.7Confident87.6Confident53 Ų5349.5 Ų49.555%0.54629%0.288SS..THydrogen-bonded Turntrans64.238.1-175.700000112.1L157 T158 K162L157-G160 PolarHBondContact O-N 3.43Å; T158-G160 PolarHBondContact O-N 2.69Å; G160-K162 PolarHBondContact O-N 3.31Å
161L82.1Confident87.6Confident36 Ų3647.9 Ų47.919%0.18828%0.275CS..SBendtrans54.343.9-177.1-60.1174.1000113.7L114 P115 M119 L124 M156 S159L114-L161 CarbonylContact C-O 3.55Å; L114-L161 HydrophobicContact CB-CB 4.04Å; L114-L161 HydrophobicContact CB-CD2 4.41Å; L114-L161 VanDerWaalsContact CB-O 3.23Å; L114-L161 WeakPolarHBondContact CB-O 3.28Å; P115-L161 WeakPolarHBondContact CD-O 3.38Å; P115-L161 VanDerWaalsContact CG-O 3.26Å; P115-L161 WeakPolarHBondContact CG-O 3.37Å; M119-L161 HydrophobicContact CG-CD1 4.07Å; M119-L161 HydrophobicContact SD-CD1 4.08Å; L124-L161 HydrophobicContact CD1-CD2 4.46Å; M156-L161 PolarHBondContact O-N 3.4Å; M156-L161 VanDerWaalsContact O-N 3.14Å; S159-L161 VanDerWaalsContact C-N 3.32Å
162K83.9Confident87.6Confident161 Ų16147.4 Ų47.470%0.727%0.27SS*.  trans-115.5122.4176.9-72.2179.7-178.9174.20112.5G160G160-K162 PolarHBondContact O-N 3.31Å
163G87.1Confident87.2Confident30 Ų3050.5 Ų50.531%0.30928%0.283SS..SBendtrans126.2-165.9176.100000113.2M113 L114M113-G163 WeakPolarHBondContact CA-O 3.44Å; M113-G163 WeakPolarHBondContact CE-O 3.28Å; L114-G163 PolarHBondContact N-O 3.07Å
164R88.5Confident87.2Confident156 Ų15650.3 Ų50.359%0.58928%0.282SS*.EExtended strand (participates in β ladder)trans-84.9118172.9-71.8-177.2-65.31640.2108.8D111 M113D111-R164 IonicContact OD2-NH1 3.68Å; M113-R164 HydrophobicContact CE-CG 4.22Å; M113-R164 HydrophobicContact SD-CB 4.31Å; M113-R164 HydrophobicContact SD-CG 3.5Å; M113-R164 WeakPolarHBondContact SD-CG 3.39Å
165G87.3Confident87.1Confident0 Ų050 Ų500%027%0.269CS..EExtended strand (participates in β ladder)trans-85.4-50.4176.700000112.2L112 A150L112-G165 PolarHBondContact O-N 2.82Å; A150-G165 WeakPolarHBondContact CB-O 3.33Å; A150-G165 PolarHBondContact N-O 3.05Å
166F91.3Very high87Confident0 Ų045.8 Ų45.80%025%0.25CC..EExtended strand (participates in β ladder)trans-135133.6-173.6-51.6-90000112.1F96 L112 L117 C133 V148 A149 M156F96-F166 HydrophobicContact CD1-CE2 4.12Å; F96-F166 AromaticContact CD1-CZ 3.68Å; F96-F166 HydrophobicContact CD1-CZ 3.68Å; F96-F166 AromaticContact CD2-CE1 3.89Å; F96-F166 HydrophobicContact CD2-CE1 3.89Å; F96-F166 HydrophobicContact CD2-CE2 4.41Å; F96-F166 AromaticContact CD2-CZ 3.67Å; F96-F166 HydrophobicContact CD2-CZ 3.67Å; F96-F166 HydrophobicContact CE1-CE1 4.4Å; F96-F166 HydrophobicContact CE1-CE2 4.4Å; F96-F166 AromaticContact CE1-CZ 3.58Å; F96-F166 HydrophobicContact CE1-CZ 3.58Å; F96-F166 AromaticContact CE2-CE1 3.61Å; F96-F166 HydrophobicContact CE2-CE1 3.61Å; F96-F166 AromaticContact CE2-CZ 3.57Å; F96-F166 HydrophobicContact CE2-CZ 3.57Å; F96-F166 HydrophobicContact CG-CE1 4.39Å; F96-F166 HydrophobicContact CG-CE2 4.12Å; F96-F166 AromaticContact CG-CZ 3.72Å; F96-F166 HydrophobicContact CG-CZ 3.72Å; F96-F166 AromaticContact CZ-CE1 3.89Å; F96-F166 HydrophobicContact CZ-CE1 3.89Å; F96-F166 AromaticContact CZ-CZ 3.52Å; F96-F166 HydrophobicContact CZ-CZ 3.52Å; L112-F166 HydrophobicContact CB-CB 4.15Å; L112-F166 HydrophobicContact CB-CD2 4.33Å; L112-F166 HydrophobicContact CD2-CD2 3.7Å; L112-F166 HydrophobicContact CD2-CE2 4.35Å; L112-F166 HydrophobicContact CD2-CG 4.49Å; L112-F166 HydrophobicContact CG-CD2 4.09Å; L112-F166 PolarHBondContact N-O 3.28Å; L112-F166 PolarHBondContact O-N 2.81Å; L112-F166 VanDerWaalsContact O-N 3.17Å; L117-F166 HydrophobicContact CD1-CE2 3.98Å; L117-F166 HydrophobicContact CD2-CE2 4Å; C133-F166 HydrophobicContact CB-CE1 4.38Å; C133-F166 WeakPolarHBondContact SG-CD1 3.22Å; C133-F166 VanDerWaalsContact SG-CE1 3.55Å; V148-F166 CarbonylContact O-C 3.58Å; V148-F166 WeakPolarHBondContact O-CA 3.4Å; A149-F166 HydrophobicContact CB-CD1 4Å; A149-F166 HydrophobicContact CB-CE1 3.89Å; M156-F166 HydrophobicContact CE-CE2 3.5Å; M156-F166 VanDerWaalsContact CE-CE2 3.5Å; M156-F166 HydrophobicContact CE-CZ 3.49Å; M156-F166 VanDerWaalsContact CE-CZ 3.49Å; M156-F166 HydrophobicContact SD-CE2 4.41Å; M156-F166 HydrophobicContact SD-CZ 3.98Å
167S92.5Very high87Confident50 Ų5046.8 Ų46.835%0.3525%0.253SS..EExtended strand (participates in β ladder)trans-81.7119.9172.7176.90000109.4D111 G147 V148 L169D111-S167 WeakPolarHBondContact OD1-CA 3.23Å; G147-S167 CarbonylContact C-O 3.6Å; G147-S167 WeakPolarHBondContact CA-O 3.44Å; V148-S167 PolarHBondContact N-O 3.33Å; V148-S167 PolarHBondContact O-N 2.97Å; S167-L169 PolarHBondContact O-N 3.48Å
168V92.1Very high86.9Confident11 Ų1148.4 Ų48.47%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-90.2112-169.3179.30000111.6M1 L106 A110 D111 L112 I135 A145M1-V168 PolarHBondContact N-O 3.18Å; L106-V168 HydrophobicContact CD2-CG2 3.71Å; A110-V168 WeakPolarHBondContact O-CG2 3.18Å; D111-V168 PolarHBondContact OD1-N 2.98Å; L112-V168 HydrophobicContact CB-CG2 4.39Å; I135-V168 HydrophobicContact CD1-CG2 4.23Å; A145-V168 HydrophobicContact CB-CG1 4.2Å
169L89.7Confident86.4Confident21 Ų2145.6 Ų45.611%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-84.4-55.4-178.9-60.4-174.8000111.2M1 F73 Y80 I146 V148 S167M1-L169 VanDerWaalsContact CA-O 3.23Å; M1-L169 WeakPolarHBondContact CA-O 3.44Å; M1-L169 WeakPolarHBondContact CB-O 3.32Å; M1-L169 PolarHBondContact N-O 3.33Å; F73-L169 HydrophobicContact CZ-CB 4.08Å; Y80-L169 HydrophobicContact CD1-CD1 3.53Å; Y80-L169 HydrophobicContact CE1-CD1 3.45Å; Y80-L169 VanDerWaalsContact CE1-CD1 3.45Å; Y80-L169 HydrophobicContact CG-CD1 4.12Å; I146-L169 PolarHBondContact O-N 3.02Å; V148-L169 HydrophobicContact CG2-CD1 3.74Å; V148-L169 HydrophobicContact CG2-CG 4.33Å; S167-L169 PolarHBondContact O-N 3.48Å
170H91.1Very high86.1Confident1 Ų144 Ų441%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-136.2145-173.2174.940.9000109.8F2 F73 V83 A145 I146 D174F2-H170 HydrophobicContact CD2-CB 4.24Å; F2-H170 HydrophobicContact CE2-CB 4.37Å; F73-H170 HydrophobicContact CE1-CB 3.88Å; F73-H170 HydrophobicContact CZ-CB 4.03Å; V83-H170 PolarHBondContact N-CD2 3.18Å; V83-H170 VanDerWaalsContact N-CD2 3.29Å; V83-H170 PolarHBondContact N-NE2 3.4Å; V83-H170 VanDerWaalsContact N-NE2 3.13Å; A145-H170 CarbonylContact C-O 3.56Å; A145-H170 VanDerWaalsContact CA-O 3.26Å; A145-H170 WeakPolarHBondContact CA-O 3.34Å; A145-H170 WeakPolarHBondContact CB-O 3.23Å; I146-H170 HydrophobicContact CB-CB 4.49Å; I146-H170 PolarHBondContact N-O 3.05Å; I146-H170 PolarHBondContact O-N 3.28Å; I146-H170 VanDerWaalsContact O-N 3.14Å; H170-D174 WeakPolarHBondContact CA-OD2 3.32Å; H170-D174 IonicContact CE1-OD1 2.68Å; H170-D174 PolarHBondContact CE1-OD1 3.22Å; H170-D174 IonicContact CE1-OD2 3.76Å; H170-D174 IonicContact CG-OD2 3.93Å; H170-D174 VanDerWaalsContact ND1-CG 3.29Å; H170-D174 IonicContact ND1-OD1 2.65Å; H170-D174 PolarHBondContact ND1-OD1 3.41Å; H170-D174 VanDerWaalsContact ND1-OD1 3.17Å; H170-D174 IonicContact ND1-OD2 2.64Å; H170-D174 PolarHBondContact ND1-OD2 2.99Å
171T91.1Very high85.6Confident4 Ų446.4 Ų46.43%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-145.6152.6-178-174.30000111.9V144 D174V144-T171 CarbonylContact O-C 3.4Å; V144-T171 WeakPolarHBondContact O-CA 3.24Å; V144-T171 PolarHBondContact O-OG1 2.9Å; V144-T171 VanDerWaalsContact O-OG1 3.08Å; T171-D174 HydrophobicContact CG2-CB 3.78Å; T171-D174 PolarHBondContact N-OD2 3.13Å; T171-D174 VanDerWaalsContact O-CB 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.46Å; T171-D174 PolarHBondContact O-N 3.2Å; T171-D174 VanDerWaalsContact O-N 3.14Å
172Y87.1Confident85.2Confident35 Ų3551.3 Ų51.314%0.13725%0.249CC..THydrogen-bonded Turntrans-47.9144.7166.3178.5-120000110.7W87 V144 D174 W177W87-Y172 AromaticContact CH2-CD2 3.81Å; W87-Y172 HydrophobicContact CH2-CD2 3.81Å; W87-Y172 AromaticContact CH2-CE2 4Å; W87-Y172 HydrophobicContact CH2-CE2 4Å; W87-Y172 AromaticContact CZ2-CD2 3.87Å; W87-Y172 HydrophobicContact CZ2-CD2 3.87Å; W87-Y172 HydrophobicContact CZ2-CE2 4.38Å; V144-Y172 WeakPolarHBondContact O-CB 3.24Å; V144-Y172 PolarHBondContact O-N 3.12Å; Y172-D174 PolarHBondContact O-N 3.04Å; Y172-D174 VanDerWaalsContact O-N 3.1Å; Y172-W177 HydrophobicContact CD2-CD2 4.14Å; Y172-W177 AromaticContact CD2-CE2 3.7Å; Y172-W177 HydrophobicContact CD2-CG 4.34Å; Y172-W177 HydrophobicContact CD2-CZ2 4.09Å; Y172-W177 AromaticContact CD2-NE1 3.62Å; Y172-W177 HydrophobicContact CE2-CD2 4.26Å; Y172-W177 AromaticContact CE2-CE2 3.48Å; Y172-W177 VanDerWaalsContact CE2-CE2 3.48Å; Y172-W177 HydrophobicContact CE2-CH2 4.09Å; Y172-W177 AromaticContact CE2-CZ2 3.39Å; Y172-W177 HydrophobicContact CE2-CZ2 3.39Å; Y172-W177 AromaticContact CE2-NE1 3.69Å
173Q83.6Confident84.4Confident82 Ų8246.4 Ų46.438%0.38324%0.235SC..THydrogen-bonded Turntrans61.73.9-174-63.7179.9-2.300117.2V107 W177 R178V107-Q173 HydrophobicContact CG1-CB 3.96Å; Q173-W177 VanDerWaalsContact CA-CE3 3.41Å; Q173-W177 HydrophobicContact CB-CE3 4.5Å; Q173-W177 HydrophobicContact CG-CH2 4.49Å; Q173-W177 HydrophobicContact CG-CZ3 4.18Å; Q173-R178 VanDerWaalsContact O-CZ 3.22Å; Q173-R178 PolarHBondContact O-NE 3.08Å; Q173-R178 PolarHBondContact O-NH2 2.91Å
174D87.3Confident83.4Confident4 Ų449.1 Ų49.12%0.02125%0.249CC..SBendtrans-74.8175.117282.315.3000113.4F2 H170 T171 Y172 L176 W177 R178F2-D174 HydrophobicContact CB-CB 4.38Å; H170-D174 WeakPolarHBondContact CA-OD2 3.32Å; H170-D174 IonicContact CE1-OD1 2.68Å; H170-D174 PolarHBondContact CE1-OD1 3.22Å; H170-D174 IonicContact CE1-OD2 3.76Å; H170-D174 IonicContact CG-OD2 3.93Å; H170-D174 VanDerWaalsContact ND1-CG 3.29Å; H170-D174 IonicContact ND1-OD1 2.65Å; H170-D174 PolarHBondContact ND1-OD1 3.41Å; H170-D174 VanDerWaalsContact ND1-OD1 3.17Å; H170-D174 IonicContact ND1-OD2 2.64Å; H170-D174 PolarHBondContact ND1-OD2 2.99Å; T171-D174 HydrophobicContact CG2-CB 3.78Å; T171-D174 PolarHBondContact N-OD2 3.13Å; T171-D174 VanDerWaalsContact O-CB 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.46Å; T171-D174 PolarHBondContact O-N 3.2Å; T171-D174 VanDerWaalsContact O-N 3.14Å; Y172-D174 PolarHBondContact O-N 3.04Å; Y172-D174 VanDerWaalsContact O-N 3.1Å; D174-L176 VanDerWaalsContact C-N 3.25Å; D174-L176 PolarHBondContact O-N 2.77Å; D174-L176 WeakPolarHBondContact OD1-CA 3.24Å; D174-L176 WeakPolarHBondContact OD1-CB 3.45Å; D174-L176 PolarHBondContact OD1-N 3.08Å; D174-W177 PolarHBondContact O-N 3.11Å; D174-W177 PolarHBondContact OD1-N 2.86Å; D174-R178 WeakPolarHBondContact O-CB 3.21Å; D174-R178 VanDerWaalsContact O-CG 3.24Å; D174-R178 WeakPolarHBondContact O-CG 3.25Å; D174-R178 PolarHBondContact O-N 3.01Å
175H84.3Confident82.7Confident57 Ų5743.3 Ų43.326%0.26423%0.232SC..THydrogen-bonded Turntrans-67.1-22.8-177.1-75.1-92.7000114.1F2 A5 F6 S179F2-H175 WeakPolarHBondContact O-CB 3.22Å; F2-H175 PolarHBondContact O-CD2 3.33Å; F2-H175 PolarHBondContact O-N 3.1Å; A5-H175 PolarHBondContact N-CD2 3.24Å; A5-H175 VanDerWaalsContact N-CD2 3.34Å; A5-H175 PolarHBondContact N-NE2 2.85Å; F6-H175 HydrophobicContact CD1-CB 3.9Å; F6-H175 VanDerWaalsContact CE1-C 3.49Å; F6-H175 HydrophobicContact CE1-CB 3.64Å; H175-S179 PolarHBondContact O-N 2.79Å
176L85.4Confident82.1Confident1 Ų145.7 Ų45.71%0.00525%0.248CC..THydrogen-bonded Turntrans-78.1-43.9176.2-178.662.8000109.8F2 F6 V63 P70 F73 T82 D174 R178 S179F2-L176 HydrophobicContact CB-CB 3.97Å; F2-L176 HydrophobicContact CD1-CB 4.13Å; F2-L176 HydrophobicContact CD2-CB 3.87Å; F2-L176 HydrophobicContact CD2-CD2 3.83Å; F2-L176 HydrophobicContact CD2-CG 4.49Å; F2-L176 HydrophobicContact CE1-CD2 4.35Å; F2-L176 HydrophobicContact CE2-CB 4.41Å; F2-L176 HydrophobicContact CE2-CD2 3.55Å; F2-L176 HydrophobicContact CG-CB 3.72Å; F2-L176 HydrophobicContact CG-CD2 4.37Å; F2-L176 HydrophobicContact CZ-CD2 3.82Å; F6-L176 HydrophobicContact CE1-CB 4.26Å; V63-L176 HydrophobicContact CG1-CD1 3.98Å; V63-L176 HydrophobicContact CG2-CD1 4.05Å; P70-L176 HydrophobicContact CB-CD1 4.1Å; P70-L176 HydrophobicContact CG-CD1 4.33Å; F73-L176 HydrophobicContact CD1-CD2 3.94Å; F73-L176 HydrophobicContact CE1-CD2 4.48Å; F73-L176 HydrophobicContact CG-CD2 4.39Å; T82-L176 HydrophobicContact CG2-CD2 4.1Å; D174-L176 VanDerWaalsContact C-N 3.25Å; D174-L176 PolarHBondContact O-N 2.77Å; D174-L176 WeakPolarHBondContact OD1-CA 3.24Å; D174-L176 WeakPolarHBondContact OD1-CB 3.45Å; D174-L176 PolarHBondContact OD1-N 3.08Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.12Å; L176-S179 PolarHBondContact O-N 3.26Å; L176-S179 VanDerWaalsContact O-N 3.11Å; L176-S179 PolarHBondContact O-OG 2.93Å
177W85.5Confident80.8Confident22 Ų2251.1 Ų51.18%0.08329%0.285CS..G310 helixtrans-59.7-43.4172.4173.288.2000111.2Y84 W87 Y172 Q173 D174 S179 G180 K182 S183Y84-W177 AromaticContact CE1-CD1 3.77Å; Y84-W177 AromaticContact CE1-NE1 3.65Å; Y84-W177 HydrophobicContact CE2-CB 4.47Å; Y84-W177 AromaticContact CE2-CD1 3.7Å; Y84-W177 HydrophobicContact CE2-CG 4.22Å; Y84-W177 WeakPolarHBondContact CE2-O 3.49Å; Y84-W177 AromaticContact CZ-CD1 3.32Å; Y84-W177 AromaticContact CZ-NE1 3.51Å; Y84-W177 VanDerWaalsContact OH-CD1 3.32Å; Y84-W177 PolarHBondContact OH-NE1 3.09Å; Y84-W177 PolarHBondContact OH-O 3.19Å; W87-W177 AromaticContact CH2-NE1 3.48Å; W87-W177 AromaticContact CZ3-NE1 3.96Å; Y172-W177 HydrophobicContact CD2-CD2 4.14Å; Y172-W177 AromaticContact CD2-CE2 3.7Å; Y172-W177 HydrophobicContact CD2-CG 4.34Å; Y172-W177 HydrophobicContact CD2-CZ2 4.09Å; Y172-W177 AromaticContact CD2-NE1 3.62Å; Y172-W177 HydrophobicContact CE2-CD2 4.26Å; Y172-W177 AromaticContact CE2-CE2 3.48Å; Y172-W177 VanDerWaalsContact CE2-CE2 3.48Å; Y172-W177 HydrophobicContact CE2-CH2 4.09Å; Y172-W177 AromaticContact CE2-CZ2 3.39Å; Y172-W177 HydrophobicContact CE2-CZ2 3.39Å; Y172-W177 AromaticContact CE2-NE1 3.69Å; Q173-W177 VanDerWaalsContact CA-CE3 3.41Å; Q173-W177 HydrophobicContact CB-CE3 4.5Å; Q173-W177 HydrophobicContact CG-CH2 4.49Å; Q173-W177 HydrophobicContact CG-CZ3 4.18Å; D174-W177 PolarHBondContact O-N 3.11Å; D174-W177 PolarHBondContact OD1-N 2.86Å; W177-S179 PolarHBondContact O-N 3.45Å; W177-S179 VanDerWaalsContact O-N 3.11Å; W177-G180 PolarHBondContact O-N 2.69Å; W177-K182 HydrophobicContact CH2-CB 3.96Å; W177-K182 HydrophobicContact CZ2-CB 4.18Å; W177-K182 VanDerWaalsContact CZ2-O 3.25Å; W177-K182 WeakPolarHBondContact CZ2-O 3.32Å; W177-K182 HydrophobicContact CZ3-CB 4.44Å; W177-S183 VanDerWaalsContact CZ2-O 3.25Å; W177-S183 WeakPolarHBondContact CZ2-O 3.39Å; W177-S183 PolarHBondContact NE1-O 3.03Å; W177-S183 VanDerWaalsContact NE1-O 3.12Å
178R82.4Confident79.6Confident124 Ų12450.6 Ų50.647%0.46828%0.278SS..G310 helixtrans-62.7-16176.8-71.6174.8-156.7-161.71.7114.5Q173 D174 L176 K182Q173-R178 VanDerWaalsContact O-CZ 3.22Å; Q173-R178 PolarHBondContact O-NE 3.08Å; Q173-R178 PolarHBondContact O-NH2 2.91Å; D174-R178 WeakPolarHBondContact O-CB 3.21Å; D174-R178 VanDerWaalsContact O-CG 3.24Å; D174-R178 WeakPolarHBondContact O-CG 3.25Å; D174-R178 PolarHBondContact O-N 3.01Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.12Å; R178-K182 WeakPolarHBondContact O-CE 3.48Å
179S77.4Confident77.6Confident67 Ų6753.5 Ų53.547%0.46930%0.303SS..G310 helixtrans-88.2-15.9179.873.50000114H175 L176 W177H175-S179 PolarHBondContact O-N 2.79Å; L176-S179 PolarHBondContact O-N 3.26Å; L176-S179 VanDerWaalsContact O-N 3.11Å; L176-S179 PolarHBondContact O-OG 2.93Å; W177-S179 PolarHBondContact O-N 3.45Å; W177-S179 VanDerWaalsContact O-N 3.11Å
180G76.9Confident75.9Confident9 Ų956.9 Ų56.99%0.09333%0.326CS..THydrogen-bonded Turntrans-90.7-158.6167.900000112.8W177 K182W177-G180 PolarHBondContact O-N 2.69Å; G180-K182 PolarHBondContact O-N 3.34Å
181N71.9Confident73.9Confident103 Ų10362.7 Ų62.755%0.55136%0.357SS*.THydrogen-bonded Turntrans-68-1.5-173.3-71.5-2.5000116.6N69 S183N69-N181 PolarHBondContact ND2-ND2 3.11Å; N69-N181 WeakPolarHBondContact OD1-CB 3.5Å; N69-N181 PolarHBondContact OD1-N 3.06Å; N69-N181 VanDerWaalsContact OD1-N 3.09Å; N69-N181 PolarHBondContact OD1-ND2 3.41Å; N69-N181 PolarHBondContact OD1-OD1 2.97Å; N181-S183 PolarHBondContact O-N 2.9Å
182K72.4Confident71.3Confident139 Ų13966.8 Ų66.860%0.60439%0.392SS*.  trans58.225.5179.8-56.2171-170.5163.40114.6Y84 W177 R178 G180Y84-K182 WeakPolarHBondContact OH-CA 3.31Å; Y84-K182 PolarHBondContact OH-N 3.1Å; W177-K182 HydrophobicContact CH2-CB 3.96Å; W177-K182 HydrophobicContact CZ2-CB 4.18Å; W177-K182 VanDerWaalsContact CZ2-O 3.25Å; W177-K182 WeakPolarHBondContact CZ2-O 3.32Å; W177-K182 HydrophobicContact CZ3-CB 4.44Å; R178-K182 WeakPolarHBondContact O-CE 3.48Å; G180-K182 PolarHBondContact O-N 3.34Å
183S68.6Low69Low58 Ų5872.2 Ų72.241%0.40642%0.422SS..PPolyproline II helixtrans-61.2140176.2-45.90000111.5W87 W177 N181W87-S183 VanDerWaalsContact CH2-O 3.24Å; W87-S183 WeakPolarHBondContact CH2-O 3.37Å; W87-S183 WeakPolarHBondContact CZ3-O 3.47Å; W177-S183 VanDerWaalsContact CZ2-O 3.25Å; W177-S183 WeakPolarHBondContact CZ2-O 3.39Å; W177-S183 PolarHBondContact NE1-O 3.03Å; W177-S183 VanDerWaalsContact NE1-O 3.12Å; N181-S183 PolarHBondContact O-N 2.9Å
184S66.2Low66.4Low87 Ų8775.9 Ų75.961%0.60844%0.444SS*.PPolyproline II helixtrans-64.8155168.645.70000111.2W87W87-S184 WeakPolarHBondContact CZ3-O 3.25Å
185P72.1Confident63.5Low34 Ų3481.6 Ų81.622%0.22149%0.485CS..PPolyproline II helixtrans-59.4132.9173.424.5-33.9000109.9W87 A142W87-P185 HydrophobicContact CH2-CB 4.15Å; W87-P185 VanDerWaalsContact CZ2-CA 3.44Å; W87-P185 HydrophobicContact CZ2-CB 3.55Å; W87-P185 HydrophobicContact CZ2-CG 4.41Å; A142-P185 HydrophobicContact CB-CB 4.21Å
186P74.6Confident60.9Low51 Ų5182.8 Ų82.833%0.33150%0.504SS..PPolyproline II helixtrans-62.2151.7173.426.5-33.1000110.1W87 N140 A142 I188W87-P186 HydrophobicContact CB-CG 3.93Å; W87-P186 HydrophobicContact CD2-CG 4.46Å; W87-P186 HydrophobicContact CG-CG 4.07Å; N140-P186 PolarHBondContact ND2-O 3.33Å; N140-P186 PolarHBondContact OD1-O 3.08Å; A142-P186 HydrophobicContact CB-CG 4.19Å; A142-P186 VanDerWaalsContact CB-O 3.23Å; A142-P186 WeakPolarHBondContact CB-O 3.33Å; P186-I188 HydrophobicContact CB-CG1 4.2Å; P186-I188 HydrophobicContact CG-CD1 4.01Å; P186-I188 HydrophobicContact CG-CG1 3.98Å; P186-I188 PolarHBondContact O-N 2.99Å
187S64.9Low58.1Low113 Ų11389.7 Ų89.779%0.7954%0.541SS*.  trans-81.395.3169.2-1700000108.3
188I66.8Low55.3Low39 Ų3997.4 Ų97.420%0.258%0.583CS.*  trans-97.2115175.3-55.4177000107P90 N140 R141 A142 P186P90-I188 HydrophobicContact CG-CD1 4.42Å; N140-I188 PolarHBondContact OD1-N 2.82Å; N140-I188 PolarHBondContact OD1-O 3.37Å; R141-I188 HydrophobicContact CB-CB 3.93Å; R141-I188 HydrophobicContact CB-CG2 3.8Å; R141-I188 VanDerWaalsContact CB-O 3.32Å; R141-I188 WeakPolarHBondContact CB-O 3.49Å; R141-I188 HydrophobicContact CG-CG2 4.22Å; R141-I188 PolarHBondContact N-O 2.93Å; A142-I188 HydrophobicContact CB-CD1 4.07Å; A142-I188 HydrophobicContact CB-CG1 4.22Å; P186-I188 HydrophobicContact CB-CG1 4.2Å; P186-I188 HydrophobicContact CG-CD1 4.01Å; P186-I188 HydrophobicContact CG-CG1 3.98Å; P186-I188 PolarHBondContact O-N 2.99Å
189A50.9Low52.6Low72 Ų7296.7 Ų96.760%0.59560%0.597SS**PPolyproline II helixtrans-57140.9178.600000110.7L191A189-L191 PolarHBondContact O-N 3.2Å
190P54.2Low50.3Low92 Ų92103 Ų10360%0.59762%0.619SS**PPolyproline II helixtrans-57.4134.3166.2-19.732.2000109.1A192P190-A192 PolarHBondContact O-N 3.06Å; P190-A192 VanDerWaalsContact O-N 3.13Å
191L48.6Very low47.7Very low123 Ų123111.4 Ų111.464%0.64466%0.656SS**PPolyproline II helixtrans-60.4118.5170.1-72.4171.4000108.1A189 L193A189-L191 PolarHBondContact O-N 3.2Å; L191-L193 PolarHBondContact O-N 2.87Å
192A37.3Very low45.5Very low91 Ų91116.2 Ų116.275%0.75267%0.672SS**PPolyproline II helixtrans-65122.7164.800000107.3P190P190-A192 PolarHBondContact O-N 3.06Å; P190-A192 VanDerWaalsContact O-N 3.13Å
193L37.5Very low43.1Very low148 Ų148113.1 Ų113.178%0.77568%0.68SS**PPolyproline II helixtrans-76.3122.1165-82160.3000107L191 S195L191-L193 PolarHBondContact O-N 2.87Å; L193-S195 PolarHBondContact O-N 3.22Å
194D29.3Very low40.9Very low160 Ų160115.9 Ų115.986%0.85670%0.699SS**  trans-58.1109170.9-74.6-45000109.2A196D194-A196 VanDerWaalsContact C-N 3.29Å; D194-A196 PolarHBondContact O-N 3.21Å
195S26.9Very low38.8Very low124 Ų124117.7 Ų117.787%0.86771%0.706SS**  trans-81.977.5175.459.70000109.7L193L193-S195 PolarHBondContact O-N 3.22Å
196A28.9Very low36.4Very low81 Ų81124 Ų12467%0.66973%0.732SS**  trans-83.3136.3161.800000110.1D194D194-A196 VanDerWaalsContact C-N 3.29Å; D194-A196 PolarHBondContact O-N 3.21Å
197D26.4Very low34.1Very low146 Ų146127 Ų12778%0.78175%0.75SS**  trans60.381.1163.8-56.9-19.8000119.3
198L27.2Very low32Very low185 Ų185128.7 Ų128.797%0.96975%0.75SS**  -145111.8118.6-83.3-170.2000109.9
199S26.1Very low29.9Very low109 Ų109130.6 Ų130.676%0.76277%0.767SS**  trans-102.9133.3175.345.70000111.4
200E28.1Very low28.6Very low200 Ų200133 Ų13394%0.93577%0.774SS**  trans-138.6148.9147-80.4-156.8160.400109.3
201E24Very low27.2Very low184 Ų184135.1 Ų135.186%0.8678%0.78SS**  trans-84.7158.7-156-51179.5112.900115.5
202K24.6Very low26Very low205 Ų205137.9 Ų137.989%0.89179%0.789SS**  -159.1138.1108-103.3164.9-168-178.60112.6
203G21.6Very low25.4Very low74 Ų74136.6 Ų136.676%0.76379%0.785SS**  trans-53.2173.3-171.300000117.5
204S22.1Very low24.7Very low116 Ų116136.8 Ų136.881%0.81179%0.787SS**  cis-168.6161.930.962.70000111
205V22.8Very low24.4Very low125 Ų125135.8 Ų135.876%0.75878%0.779SS**  cis-156.1-174.18.997.50000112.4
206Q22.4Very low24.2Very low166 Ų166139.6 Ų139.678%0.77677%0.774SS**  trans-41167.1172.1-58166.2-36.500117.1
207V24.6Very low23.8Very low114 Ų114142.8 Ų142.869%0.69178%0.775SS**  cis-156.5136.442.9173.40000113.2
208D22.3Very low23.5Very low148 Ų148142.5 Ų142.579%0.79177%0.771SS**  trans42.9159.2151.5-64-12000125.5
209S22.2Very low23.2Very low80 Ų80139.7 Ų139.756%0.55976%0.755SS**  cis-179.8137.8-34.665.30000111.2
210T22.6Very low22.9Very low123 Ų123140.4 Ų140.476%0.75575%0.75SS**  trans64.1159.6153.1730000118.4
211L25.9Very low22.6Very low135 Ų135139.7 Ų139.771%0.70775%0.746SS**  cis-140.9142.412.2-82.9175.7000109.2
212Q23.1Very low22.4Very low181 Ų181134 Ų13485%0.84674%0.738SS**  65.6135.398.9-153.4177.930.100115.4
213G24.8Very low22.3Very low65 Ų65133.7 Ų133.767%0.6774%0.739SS**  cis-161.2154.8-3.300000108.8
214D22Very low22.2Very low152 Ų152138.8 Ų138.881%0.81374%0.744SS**  89.1149.985.2-159.913.9000114.9
215M24Very low22.2Very low139 Ų139141.8 Ų141.869%0.68575%0.745SS**  trans8289.8171.9-75.4-163.45100123.8
216R22.7Very low22.1Very low203 Ų203143.2 Ų143.277%0.76675%0.748SS**  64.1130.7107.1-67.9175.3-166.2-169.92.7123.6
217H20.8Very low22.1Very low148 Ų148138.6 Ų138.669%0.68575%0.745SS**  98123.1126.2-103.7-133.6000123.8
218M19.9Very low21.9Very low140 Ų140142.3 Ų142.369%0.6976%0.755SS**  60.8156130-73.2-157.1-30.900122.4
219I20.5Very low21.8Very low126 Ų126139.2 Ų139.265%0.64675%0.749SS**  cis-176.6171.7-24.5-146.6165.6000108.4
220L20.7Very low21.8Very low125 Ų125143.2 Ų143.265%0.65476%0.759SS**  trans76.8123.2168.7-60154.3000118
221E20.6Very low21.6Very low184 Ų184145.5 Ų145.586%0.8676%0.761SS**  77.4146.196.3-67.8176.3179.200114.7
222G20.7Very low21.4Very low66 Ų66143.8 Ų143.868%0.6877%0.766SS**  cis176.2-168.50.800000111.3
223E21.4Very low21.2Very low197 Ų197141 Ų14192%0.92177%0.766SS**  trans70.5162.9170.5-55.8178.4177.800118.5
224E20.8Very low20.9Very low182 Ų182147.3 Ų147.385%0.8578%0.777SS**  -170.9177.4-73.8-108-160.2-172.400107.8
225E21.8Very low20.8Very low179 Ų179146 Ų14684%0.83677%0.767SS**  trans70.3149.2174-62.7-153.8134.400119.7
226N20.2Very low20.7Very low155 Ų155148.1 Ų148.183%0.82977%0.772SS**  cis-169.3162.4-31.2-163.9-4000107.5
227G22.1Very low20.5Very low68 Ų68143.6 Ų143.670%0.70177%0.772SS**  trans126.498.5158.500000119.8
228E20Very low20.6Very low193 Ų193145.2 Ų145.290%0.90278%0.784SS**  trans-38.4161.1154.8-66.2174.815200116.4
229A20.6Very low20.5Very low82 Ų82143.7 Ų143.768%0.67879%0.787SS**  cis-168.6-174.9-4.100000111.2
230H21.6Very low20.6Very low165 Ų165144.1 Ų144.176%0.76479%0.787SS**  trans89.595.4166.1-68-86.1000121.4
231Q20.4Very low20.7Very low171 Ų171142.7 Ų142.780%0.79979%0.793SS**  72.2123.2105.8-160.5166.911.300121.7
232A19.9Very low21.3Very low99 Ų99139.5 Ų139.582%0.81879%0.788SS**  trans97.9156.115400000120.3
233C19Very low21.3Very low123 Ų123145.6 Ų145.683%0.83180%0.799SS**  trans-68.4169.8-159.6-56.20000119.1
234E20.2Very low21.4Very low196 Ų196143.5 Ų143.592%0.91679%0.794SS**  trans120.2153.2145.5-66.3-155.9141.300119.5
235E19.7Very low21.3Very low126 Ų126141.7 Ų141.759%0.58980%0.796SS**  trans-74145.6-172.1-48.8176.5129.600113.5K310E235-K310 IonicContact OE1-NZ 2.8Å; E235-K310 PolarHBondContact OE1-NZ 3.18Å; E235-K310 IonicContact OE2-NZ 2.65Å; E235-K310 PolarHBondContact OE2-NZ 3.08Å
236K21Very low21.4Very low182 Ų182138 Ų13879%0.79179%0.789SS**  169.2133.7112.8-91.8153.1-168.1156.20117.5
237S19.7Very low21.6Very low109 Ų109136.8 Ų136.876%0.76279%0.788SS**  trans7.313714557.90000123.3
238L21.6Very low21.7Very low181 Ų181137.5 Ų137.595%0.94880%0.795SS**  trans-90.4175.2157-78.1160.5000113
239S18.7Very low21.9Very low108 Ų108131.8 Ų131.876%0.75579%0.788SS**  trans-135.7160.4179.251.90000113.5
240E21.2Very low22.3Very low136 Ų136136 Ų13664%0.63680%0.799SS**  trans-74.7-177.3-171.1-56.8117.3147.600114.8Q261E240-Q261 PolarHBondContact OE1-NE2 2.81Å
241A23Very low22.5Very low95 Ų95136.5 Ų136.579%0.78581%0.806SS**  cis-167.7-174.535.700000114.4
242P32.9Very low23.3Very low117 Ų117137 Ų13776%0.7681%0.809SS**  trans-127.2-166.4-148.547.7-37.1000117.6
243E21.4Very low23.8Very low193 Ų193139.5 Ų139.590%0.90281%0.809SS**  trans-173161.4130.1-106.2-177.9-158.500115
244D22.8Very low24.5Very low153 Ų153138.9 Ų138.982%0.81881%0.806SS**  trans-131.8163.5-162.7-89.9-50.1000115.4
245T20.6Very low25Very low145 Ų145136.5 Ų136.589%0.8980%0.804SS**  trans-157148.3146.5-34.90000113.5
246S23.8Very low26.2Very low100 Ų100137.8 Ų137.870%0.69982%0.816SS**  trans-99-172.5-167.559.90000114.7
247T24.3Very low27.1Very low130 Ų130134.4 Ų134.480%0.79882%0.815SS**  cis-169.2141.630.2-28.20000114.8
248G23Very low28.6Very low83 Ų83133.6 Ų133.686%0.85680%0.798SS**  trans63140.9143.900000122.5
249G23.7Very low30.5Very low73 Ų73129.4 Ų129.475%0.75378%0.779SS**  cis162.2131.9-9.300000113.8
250L29Very low32.7Very low172 Ų172130.9 Ų130.990%0.90178%0.778SS**  trans165.186.8157-95.9164.2000108.6
251N27.4Very low34.8Very low174 Ų174127.3 Ų127.393%0.9376%0.762SS**  trans-158.4167.4178.8-97.9-27.5000112.3
252Q36.1Very low37.2Very low181 Ų181127.4 Ų127.485%0.84675%0.746SS**  trans-69.4166.4170.1-97.7159-27.500113.1
253D30.8Very low39.1Very low153 Ų153123.8 Ų123.882%0.81872%0.719SS**  trans73.6158.2170.5-65.3-30.8000120.9
254S34.2Very low41.5Very low110 Ų110116.1 Ų116.177%0.76968%0.683SS**  trans76.4126.2167.374.80000119.6
255T31.1Very low44.2Very low145 Ų145109.6 Ų109.689%0.8965%0.649SS**  trans-145.933.3155.9-16.40000111.4S257T255-S257 PolarHBondContact O-N 2.85Å
256D44.6Very low46.9Very low154 Ų154107.2 Ų107.282%0.82463%0.627SS**  trans-92.587.4169.2-104.3-39.3000109.6
257S39.7Very low49.3Very low111 Ų111103.2 Ų103.278%0.77660%0.598SS**  trans-154.929.8171.1770000114.1T255T255-S257 PolarHBondContact O-N 2.85Å
258K50.5Low51.8Low92 Ų9297 Ų9740%0.456%0.56SS.*SBendtrans-95.5128.7165.8-71.2-169.4-176.1-172.70109.5Q263 E266K258-Q263 HydrophobicContact CB-CG 3.69Å; K258-Q263 PolarHBondContact O-NE2 3.37Å; K258-E266 IonicContact NZ-OE1 3.86Å; K258-E266 PolarHBondContact NZ-OE1 3.17Å; K258-E266 IonicContact NZ-OE2 3.33Å; K258-E266 PolarHBondContact NZ-OE2 3.24Å
259T61.4Low54.3Low92 Ų9295.6 Ų95.656%0.56453%0.531SS*.  trans-61148.7178.663.10000111Q261 E262 Q263T259-Q261 PolarHBondContact O-N 3.17Å; T259-Q261 VanDerWaalsContact O-N 3.07Å; T259-E262 WeakPolarHBondContact O-CB 3.44Å; T259-E262 PolarHBondContact O-N 3.49Å; T259-E262 VanDerWaalsContact OG1-CB 3.29Å; T259-E262 WeakPolarHBondContact OG1-CB 3.4Å; T259-E262 PolarHBondContact OG1-N 3.1Å; T259-Q263 PolarHBondContact O-N 2.81Å
260L64.5Low56.7Low140 Ų14095.4 Ų95.473%0.73351%0.51SS*.Hα-helixtrans-55.5-31.3-178-75.3170.5000113.2M264L260-M264 VanDerWaalsContact O-CG 3.28Å; L260-M264 WeakPolarHBondContact O-CG 3.22Å; L260-M264 PolarHBondContact O-N 3.01Å
261Q67.1Low58.7Low61 Ų6187.3 Ų87.329%0.28547%0.468SS..Hα-helixtrans-72.1-45177.5-60.8-178.141.900111.6E240 T259 Q263 M264 D265E240-Q261 PolarHBondContact OE1-NE2 2.81Å; T259-Q261 PolarHBondContact O-N 3.17Å; T259-Q261 VanDerWaalsContact O-N 3.07Å; Q261-Q263 VanDerWaalsContact C-N 3.35Å; Q261-Q263 PolarHBondContact O-N 3.34Å; Q261-M264 PolarHBondContact O-N 3.33Å; Q261-M264 VanDerWaalsContact O-N 3.1Å; Q261-D265 PolarHBondContact O-N 2.98Å
262E73.5Confident61.1Low97 Ų9779 Ų7945%0.45342%0.424SS..Hα-helixtrans-62.4-40.1177.5-175.3178.7-161.700111.8T259 M264 D265 E266T259-E262 WeakPolarHBondContact O-CB 3.44Å; T259-E262 PolarHBondContact O-N 3.49Å; T259-E262 VanDerWaalsContact OG1-CB 3.29Å; T259-E262 WeakPolarHBondContact OG1-CB 3.4Å; T259-E262 PolarHBondContact OG1-N 3.1Å; E262-M264 VanDerWaalsContact C-N 3.33Å; E262-M264 PolarHBondContact O-N 2.94Å; E262-D265 PolarHBondContact O-N 3.4Å; E262-E266 WeakPolarHBondContact O-CB 3.49Å; E262-E266 PolarHBondContact O-N 3.36Å
263Q71.8Confident62.8Low40 Ų4071.4 Ų71.419%0.18739%0.389CS..Hα-helixtrans-61.7-38.6172.1-63.8-171.128.400112.6K258 T259 Q261 L267K258-Q263 HydrophobicContact CB-CG 3.69Å; K258-Q263 PolarHBondContact O-NE2 3.37Å; T259-Q263 PolarHBondContact O-N 2.81Å; Q261-Q263 VanDerWaalsContact C-N 3.35Å; Q261-Q263 PolarHBondContact O-N 3.34Å; Q263-L267 WeakPolarHBondContact O-CB 3.4Å; Q263-L267 WeakPolarHBondContact O-CD1 3.45Å; Q263-L267 VanDerWaalsContact O-CG 3.25Å; Q263-L267 WeakPolarHBondContact O-CG 3.35Å; Q263-L267 PolarHBondContact O-N 2.87Å; Q263-L267 VanDerWaalsContact O-N 3.16Å
264M72.8Confident64.8Low32 Ų3266.2 Ų66.216%0.15836%0.36CS..Hα-helixtrans-73.9-33177.1-68.1-59.8110.300112.3L260 Q261 E262 L267 L268 K311L260-M264 VanDerWaalsContact O-CG 3.28Å; L260-M264 WeakPolarHBondContact O-CG 3.22Å; L260-M264 PolarHBondContact O-N 3.01Å; Q261-M264 PolarHBondContact O-N 3.33Å; Q261-M264 VanDerWaalsContact O-N 3.1Å; E262-M264 VanDerWaalsContact C-N 3.33Å; E262-M264 PolarHBondContact O-N 2.94Å; M264-L267 HydrophobicContact CE-CD1 3.72Å; M264-L267 HydrophobicContact SD-CD1 4.41Å; M264-L268 VanDerWaalsContact O-CB 3.25Å; M264-L268 WeakPolarHBondContact O-CB 3.48Å; M264-L268 PolarHBondContact O-N 2.97Å; M264-K311 HydrophobicContact CG-CB 4.19Å
265D77.9Confident66.7Low17 Ų1761 Ų619%0.09132%0.323CS..Hα-helixtrans-72-40176.4-71.1-15.4000111.9Q261 E262 L268 Q269 S312 S313 Y314Q261-D265 PolarHBondContact O-N 2.98Å; E262-D265 PolarHBondContact O-N 3.4Å; D265-L268 PolarHBondContact O-N 2.94Å; D265-Q269 WeakPolarHBondContact O-CB 3.34Å; D265-Q269 VanDerWaalsContact O-CG 3.31Å; D265-Q269 WeakPolarHBondContact O-CG 3.39Å; D265-Q269 PolarHBondContact O-N 2.83Å; D265-S312 WeakPolarHBondContact OD1-CA 3.46Å; D265-S312 WeakPolarHBondContact OD1-CB 3.33Å; D265-S312 PolarHBondContact OD1-OG 3.2Å; D265-S313 PolarHBondContact OD1-N 2.8Å; D265-S313 WeakPolarHBondContact OD2-CB 3.38Å; D265-S313 PolarHBondContact OD2-N 3.11Å; D265-S313 PolarHBondContact OD2-OG 2.81Å; D265-Y314 HydrophobicContact CB-CE2 4.25Å
266E78Confident68.6Low94 Ų9454.2 Ų54.244%0.43928%0.281SS..Hα-helixtrans-61.3-45.8172.8-173.4172.9-143.700110.9K258 E262 Q269 Q270K258-E266 IonicContact NZ-OE1 3.86Å; K258-E266 PolarHBondContact NZ-OE1 3.17Å; K258-E266 IonicContact NZ-OE2 3.33Å; K258-E266 PolarHBondContact NZ-OE2 3.24Å; E262-E266 WeakPolarHBondContact O-CB 3.49Å; E262-E266 PolarHBondContact O-N 3.36Å; E266-Q269 PolarHBondContact O-N 3.07Å; E266-Q270 VanDerWaalsContact O-CB 3.24Å; E266-Q270 WeakPolarHBondContact O-CB 3.47Å; E266-Q270 PolarHBondContact O-N 3.31Å
267L73.3Confident69.7Low17 Ų1750.2 Ų50.29%0.08926%0.257CS..Hα-helixtrans-63.2-40.7173.5-73.9168.1000112.7Q263 M264 Q270 C271 P302 R305 L307Q263-L267 WeakPolarHBondContact O-CB 3.4Å; Q263-L267 WeakPolarHBondContact O-CD1 3.45Å; Q263-L267 VanDerWaalsContact O-CG 3.25Å; Q263-L267 WeakPolarHBondContact O-CG 3.35Å; Q263-L267 PolarHBondContact O-N 2.87Å; Q263-L267 VanDerWaalsContact O-N 3.16Å; M264-L267 HydrophobicContact CE-CD1 3.72Å; M264-L267 HydrophobicContact SD-CD1 4.41Å; L267-Q270 PolarHBondContact O-N 3.05Å; L267-C271 WeakPolarHBondContact O-CB 3.45Å; L267-C271 PolarHBondContact O-N 3.11Å; L267-C271 PolarHBondContact O-SG 3.17Å; L267-P302 HydrophobicContact CD2-CG 4.32Å; L267-R305 VanDerWaalsContact CD1-CD 3.45Å; L267-L307 HydrophobicContact CB-CD2 4.12Å
268L78.2Confident70.8Confident0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-63.2-44.7177.8-175.468000110.9M264 D265 F272 M297 L307 I309 Y314 F320M264-L268 VanDerWaalsContact O-CB 3.25Å; M264-L268 WeakPolarHBondContact O-CB 3.48Å; M264-L268 PolarHBondContact O-N 2.97Å; D265-L268 PolarHBondContact O-N 2.94Å; L268-F272 WeakPolarHBondContact O-CB 3.43Å; L268-F272 PolarHBondContact O-N 3.21Å; L268-M297 HydrophobicContact CD1-CE 3.55Å; L268-M297 HydrophobicContact CG-CE 4.39Å; L268-L307 HydrophobicContact CB-CD2 4.38Å; L268-L307 HydrophobicContact CD1-CD2 4.36Å; L268-I309 HydrophobicContact CD1-CG1 4.13Å; L268-Y314 HydrophobicContact CD2-CD2 4.17Å; L268-F320 HydrophobicContact CD2-CB 4.49Å; L268-F320 HydrophobicContact CD2-CD1 4.19Å; L268-F320 HydrophobicContact CD2-CD2 3.72Å; L268-F320 HydrophobicContact CD2-CE1 4.34Å; L268-F320 HydrophobicContact CD2-CE2 3.89Å; L268-F320 HydrophobicContact CD2-CG 3.87Å; L268-F320 HydrophobicContact CD2-CZ 4.19Å; L268-F320 HydrophobicContact CG-CD2 4.42Å; L268-F320 HydrophobicContact CG-CE1 4.25Å; L268-F320 HydrophobicContact CG-CE2 4.11Å; L268-F320 HydrophobicContact CG-CZ 4.01Å
269Q74.5Confident71.3Confident52 Ų5249.6 Ų49.624%0.24324%0.244CC..Hα-helixtrans-66.7-41.8175.9-70.71782600112D265 E266 F272 L273 Y314 F320D265-Q269 WeakPolarHBondContact O-CB 3.34Å; D265-Q269 VanDerWaalsContact O-CG 3.31Å; D265-Q269 WeakPolarHBondContact O-CG 3.39Å; D265-Q269 PolarHBondContact O-N 2.83Å; E266-Q269 PolarHBondContact O-N 3.07Å; Q269-F272 PolarHBondContact O-N 2.99Å; Q269-L273 WeakPolarHBondContact O-CB 3.28Å; Q269-L273 VanDerWaalsContact O-CG 3.31Å; Q269-L273 WeakPolarHBondContact O-CG 3.21Å; Q269-L273 PolarHBondContact O-N 2.84Å; Q269-Y314 PolarHBondContact NE2-OH 2.84Å; Q269-F320 HydrophobicContact CG-CE2 3.92Å; Q269-F320 HydrophobicContact CG-CZ 4.35Å
270Q75.1Confident71.4Confident69 Ų6945.8 Ų45.832%0.32222%0.22SC..Hα-helixtrans-60.7-49.3176.5-177.6178.60.900111.6E266 L267 L273 H274 F355E266-Q270 VanDerWaalsContact O-CB 3.24Å; E266-Q270 WeakPolarHBondContact O-CB 3.47Å; E266-Q270 PolarHBondContact O-N 3.31Å; L267-Q270 PolarHBondContact O-N 3.05Å; Q270-L273 PolarHBondContact O-N 3.39Å; Q270-H274 VanDerWaalsContact O-CB 3.29Å; Q270-H274 WeakPolarHBondContact O-CB 3.37Å; Q270-H274 PolarHBondContact O-N 3.32Å; Q270-F355 HydrophobicContact CB-CE2 4.46Å; Q270-F355 HydrophobicContact CG-CE2 3.9Å; Q270-F355 HydrophobicContact CG-CZ 3.79Å
271C71.2Confident71.5Confident2 Ų246.3 Ų46.31%0.01422%0.217CC..Hα-helixtrans-68.9-35.1179.1-61.50000111.8L267 A275 L307L267-C271 WeakPolarHBondContact O-CB 3.45Å; L267-C271 PolarHBondContact O-N 3.11Å; L267-C271 PolarHBondContact O-SG 3.17Å; C271-A275 VanDerWaalsContact O-CB 3.23Å; C271-A275 WeakPolarHBondContact O-CB 3.34Å; C271-A275 PolarHBondContact O-N 3.17Å; C271-L307 HydrophobicContact CB-CD1 3.71Å
272F77.1Confident71.2Confident1 Ų151 Ų510%0.00424%0.236CC..Hα-helixtrans-60.4-52.4172.9179.9-95.7000111.5L268 Q269 H274 A275 L276 F292 M297 F320 L321 M324 I329 I330L268-F272 WeakPolarHBondContact O-CB 3.43Å; L268-F272 PolarHBondContact O-N 3.21Å; Q269-F272 PolarHBondContact O-N 2.99Å; F272-H274 PolarHBondContact O-N 2.94Å; F272-A275 PolarHBondContact O-N 3.42Å; F272-L276 HydrophobicContact CE1-CD2 3.96Å; F272-L276 HydrophobicContact CZ-CD2 4.39Å; F272-L276 VanDerWaalsContact O-CB 3.22Å; F272-L276 WeakPolarHBondContact O-CB 3.32Å; F272-L276 PolarHBondContact O-N 2.8Å; F272-F292 AromaticContact CD2-CE1 3.57Å; F272-F292 HydrophobicContact CD2-CE1 3.57Å; F272-F292 HydrophobicContact CD2-CZ 4.02Å; F272-F292 AromaticContact CE2-CE1 3.58Å; F272-F292 HydrophobicContact CE2-CE1 3.58Å; F272-F292 HydrophobicContact CE2-CZ 4.07Å; F272-M297 HydrophobicContact CB-CE 3.93Å; F272-M297 HydrophobicContact CD2-CE 4.27Å; F272-M297 HydrophobicContact CD2-SD 4.17Å; F272-F320 HydrophobicContact CB-CE1 4.27Å; F272-F320 HydrophobicContact CB-CZ 4.08Å; F272-F320 HydrophobicContact CD1-CZ 4.46Å; F272-F320 AromaticContact CD2-CE1 3.64Å; F272-F320 HydrophobicContact CD2-CE1 3.64Å; F272-F320 HydrophobicContact CD2-CZ 4.17Å; F272-F320 HydrophobicContact CE2-CE1 4.11Å; F272-F320 AromaticContact CG-CE1 3.95Å; F272-F320 HydrophobicContact CG-CE1 3.95Å; F272-F320 AromaticContact CG-CZ 3.99Å; F272-F320 HydrophobicContact CG-CZ 3.99Å; F272-L321 HydrophobicContact CE2-CD2 4.15Å; F272-M324 HydrophobicContact CD1-SD 4.28Å; F272-M324 HydrophobicContact CE1-CG 4.15Å; F272-M324 HydrophobicContact CE1-SD 4.13Å; F272-M324 HydrophobicContact CZ-CB 4.41Å; F272-M324 HydrophobicContact CZ-CG 4.25Å; F272-I329 HydrophobicContact CE1-CG2 4.27Å; F272-I330 HydrophobicContact CE1-CG2 4.43Å; F272-I330 HydrophobicContact CZ-CD1 4.14Å; F272-I330 HydrophobicContact CZ-CG2 3.81Å
273L72.5Confident70.5Confident20 Ų2050.8 Ų50.811%0.10525%0.251CS..Hα-helixtrans-64.1-39.2178.6-71.3165.9000112.1Q269 Q270 L276 K277 I352 F355Q269-L273 WeakPolarHBondContact O-CB 3.28Å; Q269-L273 VanDerWaalsContact O-CG 3.31Å; Q269-L273 WeakPolarHBondContact O-CG 3.21Å; Q269-L273 PolarHBondContact O-N 2.84Å; Q270-L273 PolarHBondContact O-N 3.39Å; L273-L276 PolarHBondContact O-N 3.47Å; L273-K277 PolarHBondContact O-N 3.18Å; L273-I352 HydrophobicContact CD2-CG1 3.74Å; L273-F355 HydrophobicContact CB-CD1 4.39Å; L273-F355 HydrophobicContact CB-CD2 4.23Å; L273-F355 HydrophobicContact CB-CE2 4.4Å; L273-F355 HydrophobicContact CB-CG 4.23Å; L273-F355 HydrophobicContact CD1-CD2 4.1Å
274H72Confident70.1Confident45 Ų4552.1 Ų52.121%0.20826%0.26CS..Hα-helixtrans-65.4-46.3177-174.150.8000112.2Q270 F272 L276 K277 C278 C300 F355Q270-H274 VanDerWaalsContact O-CB 3.29Å; Q270-H274 WeakPolarHBondContact O-CB 3.37Å; Q270-H274 PolarHBondContact O-N 3.32Å; F272-H274 PolarHBondContact O-N 2.94Å; H274-L276 PolarHBondContact O-N 3.03Å; H274-K277 PolarHBondContact O-N 3.08Å; H274-C278 PolarHBondContact CE1-SG 3.47Å; H274-C278 PolarHBondContact ND1-SG 3.43Å; H274-C278 VanDerWaalsContact ND1-SG 3.42Å; H274-C278 WeakPolarHBondContact O-CB 3.44Å; H274-C278 PolarHBondContact O-N 3.05Å; H274-C278 PolarHBondContact O-SG 3.3Å; H274-C300 VanDerWaalsContact CD2-SG 3.55Å; H274-F355 HydrophobicContact CB-CE1 4.05Å; H274-F355 HydrophobicContact CB-CZ 4.32Å
275A73.8Confident70Confident0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-60.7-42.9175.500000112.3C271 F272 K277 C278 R279 V280 F292 H296 M297 C300C271-A275 VanDerWaalsContact O-CB 3.23Å; C271-A275 WeakPolarHBondContact O-CB 3.34Å; C271-A275 PolarHBondContact O-N 3.17Å; F272-A275 PolarHBondContact O-N 3.42Å; A275-K277 VanDerWaalsContact C-N 3.35Å; A275-K277 PolarHBondContact O-N 3.18Å; A275-C278 PolarHBondContact O-N 3.08Å; A275-R279 PolarHBondContact O-N 3.4Å; A275-V280 PolarHBondContact O-N 3.13Å; A275-F292 HydrophobicContact CB-CE2 4.17Å; A275-F292 HydrophobicContact CB-CZ 4.12Å; A275-H296 HydrophobicContact CB-CB 4.09Å; A275-M297 HydrophobicContact CB-CG 4.3Å; A275-C300 HydrophobicContact CB-CB 4.44Å
276L71.1Confident69.3Low3 Ų355.1 Ų55.12%0.01628%0.28CS..Hα-helixtrans-66.2-33.6-179.3-163.463000113F272 L273 H274 V280 I329 V345 I352F272-L276 HydrophobicContact CE1-CD2 3.96Å; F272-L276 HydrophobicContact CZ-CD2 4.39Å; F272-L276 VanDerWaalsContact O-CB 3.22Å; F272-L276 WeakPolarHBondContact O-CB 3.32Å; F272-L276 PolarHBondContact O-N 2.8Å; L273-L276 PolarHBondContact O-N 3.47Å; H274-L276 PolarHBondContact O-N 3.03Å; L276-V280 HydrophobicContact CD1-CB 4.46Å; L276-V280 HydrophobicContact CD1-CG2 4.37Å; L276-I329 HydrophobicContact CD2-CG2 4.12Å; L276-V345 HydrophobicContact CD1-CB 4.44Å; L276-V345 HydrophobicContact CD1-CG1 3.78Å; L276-V345 HydrophobicContact CD1-CG2 3.81Å; L276-V345 HydrophobicContact CD2-CG1 3.76Å; L276-V345 HydrophobicContact CG-CG1 3.91Å; L276-I352 HydrophobicContact CD2-CD1 3.73Å; L276-I352 HydrophobicContact CD2-CG1 4.47Å
277K68.6Low69.1Low70 Ų7051.7 Ų51.730%0.30427%0.265SS..Hα-helixtrans-75.2-47.4172.7-82.5-163.4174.7-170.70113.7L273 H274 A275 I352 F355 I357L273-K277 PolarHBondContact O-N 3.18Å; H274-K277 PolarHBondContact O-N 3.08Å; A275-K277 VanDerWaalsContact C-N 3.35Å; A275-K277 PolarHBondContact O-N 3.18Å; K277-I352 WeakPolarHBondContact CE-O 3.22Å; K277-I352 HydrophobicContact CG-CG2 4Å; K277-I352 PolarHBondContact NZ-O 3.1Å; K277-F355 HydrophobicContact CD-CD1 4.32Å; K277-F355 PolarHBondContact NZ-O 3.4Å; K277-I357 HydrophobicContact CD-CD1 4.3Å; K277-I357 HydrophobicContact CD-CG1 4.25Å
278C62.9Low69.1Low65 Ų6554 Ų5444%0.43928%0.277SS..Hα-helixtrans-94.7-27.1-162.1-550000113.6H274 A275H274-C278 PolarHBondContact CE1-SG 3.47Å; H274-C278 PolarHBondContact ND1-SG 3.43Å; H274-C278 VanDerWaalsContact ND1-SG 3.42Å; H274-C278 WeakPolarHBondContact O-CB 3.44Å; H274-C278 PolarHBondContact O-N 3.05Å; H274-C278 PolarHBondContact O-SG 3.3Å; A275-C278 PolarHBondContact O-N 3.08Å
279R60.2Low68.6Low125 Ų12554.7 Ų54.747%0.47228%0.281SS..THydrogen-bonded Turntrans-124.7-15.8-170-68.3-167.8165.6-154.1-2.5116.3A275 C295 H296A275-R279 PolarHBondContact O-N 3.4Å; R279-C295 PolarHBondContact NH1-O 2.94Å; R279-H296 WeakPolarHBondContact CB-ND1 3.4Å
280V64Low68.3Low11 Ų1155.6 Ų55.67%0.06729%0.293CS..  trans-95.5120.1179.3-178.70000111.1A275 L276 L285 L287 F292A275-V280 PolarHBondContact O-N 3.13Å; L276-V280 HydrophobicContact CD1-CB 4.46Å; L276-V280 HydrophobicContact CD1-CG2 4.37Å; V280-L285 HydrophobicContact CG1-CD2 4.3Å; V280-L287 HydrophobicContact CG1-CD1 3.85Å; V280-L287 HydrophobicContact CG2-CD1 4.05Å; V280-F292 HydrophobicContact CG2-CD2 3.99Å; V280-F292 HydrophobicContact CG2-CE2 3.59Å
281K65.9Low67.9Low152 Ų15255.2 Ų55.266%0.66130%0.296SS*.  trans-101.9155.8172.1-59.1173.8-176171.50110.2A283 D284K281-A283 PolarHBondContact O-N 2.95Å; K281-D284 WeakPolarHBondContact CA-OD2 3.27Å; K281-D284 WeakPolarHBondContact CB-OD2 3.37Å; K281-D284 PolarHBondContact N-OD2 2.92Å; K281-D284 PolarHBondContact O-N 3.42Å
282K60.5Low67.9Low159 Ų15955.4 Ų55.469%0.69130%0.296SS*.THydrogen-bonded Turntrans-58.1-22.5176.5-70.4-166.4173.9-169.70114.3D284 W347K282-D284 VanDerWaalsContact C-N 3.35Å; K282-W347 HydrophobicContact CB-CH2 4.5Å; K282-W347 HydrophobicContact CD-CH2 4.45Å; K282-W347 HydrophobicContact CD-CZ3 4.24Å; K282-W347 HydrophobicContact CG-CE3 4.44Å; K282-W347 HydrophobicContact CG-CH2 3.6Å; K282-W347 HydrophobicContact CG-CZ2 3.95Å; K282-W347 HydrophobicContact CG-CZ3 3.88Å
283A60.2Low67.4Low92 Ų9256.7 Ų56.776%0.7630%0.303SS*.THydrogen-bonded Turntrans-79.6-15178.600000113.8K281K281-A283 PolarHBondContact O-N 2.95Å
284D62.9Low66.9Low69 Ų6957.5 Ų57.537%0.36932%0.316SS..SBendtrans-88.6-12.4-174.5-50.6-36000112.1K281 K282 L287K281-D284 WeakPolarHBondContact CA-OD2 3.27Å; K281-D284 WeakPolarHBondContact CB-OD2 3.37Å; K281-D284 PolarHBondContact N-OD2 2.92Å; K281-D284 PolarHBondContact O-N 3.42Å; K282-D284 VanDerWaalsContact C-N 3.35Å; D284-L287 HydrophobicContact CB-CD1 4.23Å; D284-L287 HydrophobicContact CB-CD2 4.11Å; D284-L287 HydrophobicContact CB-CG 4.18Å; D284-L287 WeakPolarHBondContact O-CD2 3.44Å; D284-L287 VanDerWaalsContact O-CG 3.3Å; D284-L287 WeakPolarHBondContact O-CG 3.41Å
285L70.2Confident66.4Low36 Ų3658.6 Ų58.619%0.18833%0.328CS..PPolyproline II helixtrans-81.5141-179.2-59.7-179.5000111.6V280 L287 I342 V345 W347V280-L285 HydrophobicContact CG1-CD2 4.3Å; L285-L287 HydrophobicContact CD2-CB 4.09Å; L285-L287 HydrophobicContact CD2-CD1 4.17Å; L285-L287 HydrophobicContact CD2-CG 4.03Å; L285-I342 HydrophobicContact CD2-CG2 4.45Å; L285-V345 HydrophobicContact CD1-CG2 4.23Å; L285-W347 HydrophobicContact CD1-CH2 3.71Å; L285-W347 HydrophobicContact CD1-CZ2 4.48Å
286P63.1Low65.8Low75 Ų7560.2 Ų60.249%0.48734%0.335SS..SBendcis-83.6126.78.732.6-35.3000113.9L335 I342 V343P286-L335 HydrophobicContact CB-CD1 3.72Å; P286-L335 HydrophobicContact CG-CD1 3.71Å; P286-I342 CarbonylContact C-O 3.38Å; P286-I342 VanDerWaalsContact CA-O 3.26Å; P286-I342 WeakPolarHBondContact CA-O 3.43Å; P286-V343 HydrophobicContact CB-CG2 4.16Å
287L72.9Confident65.5Low22 Ų2260.1 Ų60.112%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-93.7129.9-177.3-83.7179000112.6V280 D284 L285 T289 F292 S341 I342V280-L287 HydrophobicContact CG1-CD1 3.85Å; V280-L287 HydrophobicContact CG2-CD1 4.05Å; D284-L287 HydrophobicContact CB-CD1 4.23Å; D284-L287 HydrophobicContact CB-CD2 4.11Å; D284-L287 HydrophobicContact CB-CG 4.18Å; D284-L287 WeakPolarHBondContact O-CD2 3.44Å; D284-L287 VanDerWaalsContact O-CG 3.3Å; D284-L287 WeakPolarHBondContact O-CG 3.41Å; L285-L287 HydrophobicContact CD2-CB 4.09Å; L285-L287 HydrophobicContact CD2-CD1 4.17Å; L285-L287 HydrophobicContact CD2-CG 4.03Å; L287-T289 PolarHBondContact O-N 2.85Å; L287-F292 HydrophobicContact CD1-CD2 4.48Å; L287-S341 VanDerWaalsContact C-OG 3.29Å; L287-S341 WeakPolarHBondContact O-CA 3.31Å; L287-S341 PolarHBondContact O-OG 3Å; L287-I342 PolarHBondContact N-O 2.79Å; L287-I342 PolarHBondContact O-N 3.33Å
288L74.7Confident65.4Low67 Ų6761.3 Ų61.335%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-67.2130.2175.8-156.868.8000111.3S290 T291 F292 V339L288-S290 VanDerWaalsContact C-N 3.28Å; L288-S290 WeakPolarHBondContact CD2-OG 3.33Å; L288-S290 PolarHBondContact O-N 3Å; L288-T291 PolarHBondContact O-N 3.47Å; L288-T291 VanDerWaalsContact O-N 3.08Å; L288-F292 PolarHBondContact O-N 3.26Å; L288-V339 HydrophobicContact CD1-CB 4.26Å; L288-V339 HydrophobicContact CD1-CG1 3.49Å; L288-V339 VanDerWaalsContact CD1-CG1 3.49Å; L288-V339 HydrophobicContact CD2-CG1 4.42Å; L288-V339 HydrophobicContact CG-CG1 4.03Å
289T67.3Low65.3Low14 Ų1461.6 Ų61.69%0.08634%0.343CS..Hα-helixtrans-54.9-39.3-176.4-67.40000113.8L287 F292 L293 L317 L321 E340L287-T289 PolarHBondContact O-N 2.85Å; T289-F292 PolarHBondContact O-N 2.79Å; T289-L293 PolarHBondContact O-N 2.89Å; T289-L317 HydrophobicContact CG2-CD2 3.32Å; T289-L317 HydrophobicContact CG2-CG 3.71Å; T289-L321 HydrophobicContact CG2-CD1 3.5Å; T289-L321 VanDerWaalsContact CG2-CD1 3.5Å; T289-L321 WeakPolarHBondContact OG1-CD1 3.48Å; T289-E340 VanDerWaalsContact CB-O 3.23Å; T289-E340 WeakPolarHBondContact CB-O 3.15Å; T289-E340 PolarHBondContact N-O 2.76Å; T289-E340 PolarHBondContact OG1-O 3.26Å
290S67.8Low65.2Low70 Ų7056.4 Ų56.449%0.4933%0.326SS..Hα-helixtrans-68.3-40.217850.50000112.8L288 G294L288-S290 VanDerWaalsContact C-N 3.28Å; L288-S290 WeakPolarHBondContact CD2-OG 3.33Å; L288-S290 PolarHBondContact O-N 3Å; S290-G294 PolarHBondContact O-N 2.84Å
291T67.9Low65Low62 Ų6257.5 Ų57.538%0.3833%0.334SS..Hα-helixtrans-67.8-39.3175.6-51.70000111.3L288 G294 C295L288-T291 PolarHBondContact O-N 3.47Å; L288-T291 VanDerWaalsContact O-N 3.08Å; T291-G294 PolarHBondContact O-N 2.93Å; T291-C295 WeakPolarHBondContact O-CB 3.41Å; T291-C295 PolarHBondContact O-N 3.3Å
292F69.4Low64.6Low5 Ų553.3 Ų53.32%0.02232%0.322CS..Hα-helixtrans-63.3-46.9176.2178.8-106.6000111.8F272 A275 V280 L287 L288 T289 H296 M297 I342F272-F292 AromaticContact CD2-CE1 3.57Å; F272-F292 HydrophobicContact CD2-CE1 3.57Å; F272-F292 HydrophobicContact CD2-CZ 4.02Å; F272-F292 AromaticContact CE2-CE1 3.58Å; F272-F292 HydrophobicContact CE2-CE1 3.58Å; F272-F292 HydrophobicContact CE2-CZ 4.07Å; A275-F292 HydrophobicContact CB-CE2 4.17Å; A275-F292 HydrophobicContact CB-CZ 4.12Å; V280-F292 HydrophobicContact CG2-CD2 3.99Å; V280-F292 HydrophobicContact CG2-CE2 3.59Å; L287-F292 HydrophobicContact CD1-CD2 4.48Å; L288-F292 PolarHBondContact O-N 3.26Å; T289-F292 PolarHBondContact O-N 2.79Å; F292-H296 HydrophobicContact CD2-CB 4Å; F292-H296 HydrophobicContact CE2-CB 4.14Å; F292-H296 WeakPolarHBondContact O-CA 3.34Å; F292-H296 VanDerWaalsContact O-CB 3.31Å; F292-H296 WeakPolarHBondContact O-CB 3.49Å; F292-H296 PolarHBondContact O-N 3.46Å; F292-H296 VanDerWaalsContact O-N 3.12Å; F292-M297 HydrophobicContact CD1-CG 4.13Å; F292-M297 HydrophobicContact CD1-SD 3.84Å; F292-M297 HydrophobicContact CE1-CG 3.72Å; F292-M297 HydrophobicContact CE1-SD 3.5Å; F292-M297 WeakPolarHBondContact CE1-SD 3.34Å; F292-M297 HydrophobicContact CZ-CG 4.07Å; F292-M297 HydrophobicContact CZ-SD 4.37Å; F292-M297 PolarHBondContact O-N 3.02Å; F292-I342 HydrophobicContact CD1-CD1 3.88Å; F292-I342 HydrophobicContact CE1-CD1 4.29Å; F292-I342 HydrophobicContact CG-CD1 4.13Å
293L67Low63.7Low28 Ų2853.1 Ų53.115%0.14732%0.324CS..Iπ-helixtrans-60.2-54173.2-178.171.2000111.4T289 M297 F298 I309 L317T289-L293 PolarHBondContact O-N 2.89Å; L293-M297 HydrophobicContact CD1-CB 4.05Å; L293-M297 HydrophobicContact CD1-CE 4.22Å; L293-M297 HydrophobicContact CD1-CG 4.47Å; L293-M297 HydrophobicContact CD1-SD 3.77Å; L293-M297 PolarHBondContact O-N 3.21Å; L293-F298 HydrophobicContact CD1-CE2 4.32Å; L293-F298 HydrophobicContact CD2-CE2 4.05Å; L293-F298 HydrophobicContact CG-CD2 4.2Å; L293-F298 HydrophobicContact CG-CE2 3.81Å; L293-F298 VanDerWaalsContact O-CD2 3.32Å; L293-F298 WeakPolarHBondContact O-CD2 3.31Å; L293-F298 PolarHBondContact O-N 3.24Å; L293-F298 VanDerWaalsContact O-N 3.14Å; L293-I309 HydrophobicContact CD1-CD1 3.63Å; L293-I309 HydrophobicContact CD2-CD1 3.48Å; L293-I309 VanDerWaalsContact CD2-CD1 3.48Å; L293-I309 HydrophobicContact CG-CD1 4.2Å; L293-L317 HydrophobicContact CB-CD2 4.12Å; L293-L317 HydrophobicContact CD2-CD2 4.1Å; L293-L317 HydrophobicContact CG-CD2 4.49Å
294G62.2Low63.4Low37 Ų3753 Ų5338%0.38133%0.331SS..Iπ-helixtrans-61.1-49-173.300000114.4S290 T291S290-G294 PolarHBondContact O-N 2.84Å; T291-G294 PolarHBondContact O-N 2.93Å
295C61.9Low63.2Low69 Ų6955.8 Ų55.847%0.46634%0.336SS..Iπ-helixtrans-102.4-15.4-168.9-58.20000114.3R279 T291 S299R279-C295 PolarHBondContact NH1-O 2.94Å; T291-C295 WeakPolarHBondContact O-CB 3.41Å; T291-C295 PolarHBondContact O-N 3.3Å; C295-S299 PolarHBondContact O-OG 3.12Å
296H61.1Low62.6Low33 Ų3360.8 Ų60.815%0.15336%0.359CS..Iπ-helixtrans-119.9-45-175.2-56.2-103.6000112.6A275 R279 F292 C300A275-H296 HydrophobicContact CB-CB 4.09Å; R279-H296 WeakPolarHBondContact CB-ND1 3.4Å; F292-H296 HydrophobicContact CD2-CB 4Å; F292-H296 HydrophobicContact CE2-CB 4.14Å; F292-H296 WeakPolarHBondContact O-CA 3.34Å; F292-H296 VanDerWaalsContact O-CB 3.31Å; F292-H296 WeakPolarHBondContact O-CB 3.49Å; F292-H296 PolarHBondContact O-N 3.46Å; F292-H296 VanDerWaalsContact O-N 3.12Å; H296-C300 VanDerWaalsContact O-CB 3.31Å; H296-C300 WeakPolarHBondContact O-CB 3.43Å; H296-C300 PolarHBondContact O-SG 3.27Å
297M64Low62.8Low2 Ų257.7 Ų57.71%0.0134%0.338CS..Iπ-helixtrans-76.3-46.8179.8-62.8-179.565.500112.8L268 F272 A275 F292 L293 S299 C300 C301L268-M297 HydrophobicContact CD1-CE 3.55Å; L268-M297 HydrophobicContact CG-CE 4.39Å; F272-M297 HydrophobicContact CB-CE 3.93Å; F272-M297 HydrophobicContact CD2-CE 4.27Å; F272-M297 HydrophobicContact CD2-SD 4.17Å; A275-M297 HydrophobicContact CB-CG 4.3Å; F292-M297 HydrophobicContact CD1-CG 4.13Å; F292-M297 HydrophobicContact CD1-SD 3.84Å; F292-M297 HydrophobicContact CE1-CG 3.72Å; F292-M297 HydrophobicContact CE1-SD 3.5Å; F292-M297 WeakPolarHBondContact CE1-SD 3.34Å; F292-M297 HydrophobicContact CZ-CG 4.07Å; F292-M297 HydrophobicContact CZ-SD 4.37Å; F292-M297 PolarHBondContact O-N 3.02Å; L293-M297 HydrophobicContact CD1-CB 4.05Å; L293-M297 HydrophobicContact CD1-CE 4.22Å; L293-M297 HydrophobicContact CD1-CG 4.47Å; L293-M297 HydrophobicContact CD1-SD 3.77Å; L293-M297 PolarHBondContact O-N 3.21Å; M297-S299 VanDerWaalsContact C-N 3.32Å; M297-S299 PolarHBondContact O-N 3.43Å; M297-C300 WeakPolarHBondContact O-CA 3.31Å; M297-C300 WeakPolarHBondContact O-CB 3.44Å; M297-C300 PolarHBondContact O-N 3.08Å; M297-C301 PolarHBondContact O-N 3.31Å
298F66.5Low62.5Low95 Ų9558.6 Ų58.642%0.41734%0.343SS..G310 helixtrans-63.5-34.5178.5-80.6-67.8000113.5L293 C300 L307L293-F298 HydrophobicContact CD1-CE2 4.32Å; L293-F298 HydrophobicContact CD2-CE2 4.05Å; L293-F298 HydrophobicContact CG-CD2 4.2Å; L293-F298 HydrophobicContact CG-CE2 3.81Å; L293-F298 VanDerWaalsContact O-CD2 3.32Å; L293-F298 WeakPolarHBondContact O-CD2 3.31Å; L293-F298 PolarHBondContact O-N 3.24Å; L293-F298 VanDerWaalsContact O-N 3.14Å; F298-C300 PolarHBondContact O-N 2.62Å; F298-L307 HydrophobicContact CE1-CB 4.11Å; F298-L307 WeakPolarHBondContact CE1-O 3.42Å
299S61Low62.3Low71 Ų7156.6 Ų56.650%0.49733%0.333SS..G310 helixtrans-742.3174.1-54.10000114.1C295 M297C295-S299 PolarHBondContact O-OG 3.12Å; M297-S299 VanDerWaalsContact C-N 3.32Å; M297-S299 PolarHBondContact O-N 3.43Å
300C59.3Low62.3Low16 Ų1662.9 Ų62.911%0.10836%0.358CS..G310 helixtrans-1228.1-177.1-80.80000112.3H274 A275 H296 M297 F298H274-C300 VanDerWaalsContact CD2-SG 3.55Å; A275-C300 HydrophobicContact CB-CB 4.44Å; H296-C300 VanDerWaalsContact O-CB 3.31Å; H296-C300 WeakPolarHBondContact O-CB 3.43Å; H296-C300 PolarHBondContact O-SG 3.27Å; M297-C300 WeakPolarHBondContact O-CA 3.31Å; M297-C300 WeakPolarHBondContact O-CB 3.44Å; M297-C300 PolarHBondContact O-N 3.08Å; F298-C300 PolarHBondContact O-N 2.62Å
301C59.2Low62.3Low34 Ų3465.5 Ų65.523%0.2336%0.361CS..SBendtrans-74.1143.8171.6-60.60000111.5M297 L307M297-C301 PolarHBondContact O-N 3.31Å; C301-L307 WeakPolarHBondContact SG-CD1 3.3Å; C301-L307 VanDerWaalsContact SG-CG 3.55Å
302P58.3Low62.5Low63 Ų6362.7 Ų62.741%0.40934%0.344SS..PPolyproline II helixtrans-67.7147.8167.629.9-34000111.2L267 G304 R305L267-P302 HydrophobicContact CD2-CG 4.32Å; P302-G304 PolarHBondContact O-N 2.85Å; P302-R305 PolarHBondContact O-N 3.11Å
303E40.4Very low62.6Low156 Ų15664.9 Ų64.973%0.72936%0.36SS*.THydrogen-bonded Turntrans-56.9135.9179.8-68179.9-175.200111.6S364E303-S364 WeakPolarHBondContact OE1-CB 3.17Å; E303-S364 PolarHBondContact OE1-OG 3.05Å
304G53.1Low62.8Low89 Ų8965.4 Ų65.492%0.91836%0.36SS*.THydrogen-bonded Turntrans86.1-4.4-179.400000116.5P302P302-G304 PolarHBondContact O-N 2.85Å
305R60.5Low63.2Low127 Ų12770.1 Ų70.148%0.47937%0.37SS..  trans-118.4126.4172.9-64.5-158.6-177.1-146.42.4113.2L267 P302L267-R305 VanDerWaalsContact CD1-CD 3.45Å; P302-R305 PolarHBondContact O-N 3.11Å
306Q57.7Low63.8Low142 Ų14273.8 Ų73.866%0.66438%0.378SS*.  trans-93.7125.7174.8-180177.5-39.200110.8D308Q306-D308 PolarHBondContact NE2-OD1 3.3Å; Q306-D308 PolarHBondContact O-N 2.97Å
307L67.2Low64.3Low10 Ų1073.6 Ų73.65%0.05238%0.378CS..  trans-75.7100.7173.2-81.9179.6000111.5L267 L268 C271 F298 C301L267-L307 HydrophobicContact CB-CD2 4.12Å; L268-L307 HydrophobicContact CB-CD2 4.38Å; L268-L307 HydrophobicContact CD1-CD2 4.36Å; C271-L307 HydrophobicContact CB-CD1 3.71Å; F298-L307 HydrophobicContact CE1-CB 4.11Å; F298-L307 WeakPolarHBondContact CE1-O 3.42Å; C301-L307 WeakPolarHBondContact SG-CD1 3.3Å; C301-L307 VanDerWaalsContact SG-CG 3.55Å
308D66.9Low64.7Low40 Ų4075.6 Ų75.621%0.21439%0.393CS..  trans-102.396.9172.2-72.8-26.3000111.1Q306 K310 K311Q306-D308 PolarHBondContact NE2-OD1 3.3Å; Q306-D308 PolarHBondContact O-N 2.97Å; D308-K310 PolarHBondContact O-N 2.86Å; D308-K311 HydrophobicContact CB-CB 4.23Å; D308-K311 HydrophobicContact CB-CD 3.86Å; D308-K311 HydrophobicContact CB-CG 3.94Å; D308-K311 WeakPolarHBondContact O-CB 3.43Å; D308-K311 PolarHBondContact O-N 3.5Å; D308-K311 VanDerWaalsContact OD2-CE 3.28Å; D308-K311 WeakPolarHBondContact OD2-CE 3.49Å; D308-K311 IonicContact OD2-NZ 2.69Å; D308-K311 PolarHBondContact OD2-NZ 3.41Å
309I69.6Low65.3Low26 Ų2677.2 Ų77.213%0.13340%0.399CS..THydrogen-bonded Turntrans-58-22.2176.7-60.9159.5000112.5L268 L293 K311 L317L268-I309 HydrophobicContact CD1-CG1 4.13Å; L293-I309 HydrophobicContact CD1-CD1 3.63Å; L293-I309 HydrophobicContact CD2-CD1 3.48Å; L293-I309 VanDerWaalsContact CD2-CD1 3.48Å; L293-I309 HydrophobicContact CG-CD1 4.2Å; I309-K311 PolarHBondContact O-N 3.16Å; I309-L317 HydrophobicContact CD1-CB 4.33Å; I309-L317 HydrophobicContact CD1-CD1 4.16Å; I309-L317 HydrophobicContact CD1-CD2 4.21Å; I309-L317 HydrophobicContact CD1-CG 4.49Å
310K67.1Low66.1Low145 Ų14573.9 Ų73.963%0.6338%0.376SS*.THydrogen-bonded Turntrans-64-26.1172-74.4-169.3-180-172.20113.1E235 D308E235-K310 IonicContact OE1-NZ 2.8Å; E235-K310 PolarHBondContact OE1-NZ 3.18Å; E235-K310 IonicContact OE2-NZ 2.65Å; E235-K310 PolarHBondContact OE2-NZ 3.08Å; D308-K310 PolarHBondContact O-N 2.86Å
311K67.7Low66.9Low126 Ų12673.2 Ų73.255%0.54837%0.371SS..THydrogen-bonded Turntrans-95-16.2-178.2-63.8178.9-177.6153.80113.3M264 D308 I309M264-K311 HydrophobicContact CG-CB 4.19Å; D308-K311 HydrophobicContact CB-CB 4.23Å; D308-K311 HydrophobicContact CB-CD 3.86Å; D308-K311 HydrophobicContact CB-CG 3.94Å; D308-K311 WeakPolarHBondContact O-CB 3.43Å; D308-K311 PolarHBondContact O-N 3.5Å; D308-K311 VanDerWaalsContact OD2-CE 3.28Å; D308-K311 WeakPolarHBondContact OD2-CE 3.49Å; D308-K311 IonicContact OD2-NZ 2.69Å; D308-K311 PolarHBondContact OD2-NZ 3.41Å; I309-K311 PolarHBondContact O-N 3.16Å
312S73.3Confident67.8Low2 Ų276.6 Ų76.61%0.01438%0.384CS..SBendtrans-67.4152.7168.1-69.50000112.5D265 Y314 K315D265-S312 WeakPolarHBondContact OD1-CA 3.46Å; D265-S312 WeakPolarHBondContact OD1-CB 3.33Å; D265-S312 PolarHBondContact OD1-OG 3.2Å; S312-Y314 PolarHBondContact O-N 3.01Å; S312-Y314 VanDerWaalsContact O-N 3.13Å; S312-K315 PolarHBondContact O-N 3.42Å; S312-K315 VanDerWaalsContact O-N 3.13Å
313S71.3Confident68.8Low52 Ų5277.3 Ų77.336%0.36438%0.382SS..THydrogen-bonded Turntrans-57.8-31.9179.7640000112.8D265 K315D265-S313 PolarHBondContact OD1-N 2.8Å; D265-S313 WeakPolarHBondContact OD2-CB 3.38Å; D265-S313 PolarHBondContact OD2-N 3.11Å; D265-S313 PolarHBondContact OD2-OG 2.81Å; S313-K315 VanDerWaalsContact C-N 3.33Å; S313-K315 PolarHBondContact O-N 2.91Å
314Y71.2Confident70.5Confident39 Ų3970 Ų7015%0.15335%0.348CS..THydrogen-bonded Turntrans-67.3-28.3-178.5-50.9-73.6000113.7D265 L268 Q269 S312 K316 K319 F320 Q323D265-Y314 HydrophobicContact CB-CE2 4.25Å; L268-Y314 HydrophobicContact CD2-CD2 4.17Å; Q269-Y314 PolarHBondContact NE2-OH 2.84Å; S312-Y314 PolarHBondContact O-N 3.01Å; S312-Y314 VanDerWaalsContact O-N 3.13Å; Y314-K316 PolarHBondContact O-N 3.46Å; Y314-K319 WeakPolarHBondContact O-CD 3.44Å; Y314-F320 HydrophobicContact CD1-CB 4.28Å; Y314-F320 HydrophobicContact CD2-CB 4.04Å; Y314-F320 AromaticContact CD2-CD2 3.7Å; Y314-F320 HydrophobicContact CD2-CD2 3.7Å; Y314-F320 HydrophobicContact CD2-CG 4.29Å; Y314-F320 HydrophobicContact CE1-CD2 4.44Å; Y314-F320 AromaticContact CE2-CD2 3.57Å; Y314-F320 HydrophobicContact CE2-CD2 3.57Å; Y314-F320 HydrophobicContact CE2-CE2 4.22Å; Y314-F320 HydrophobicContact CG-CB 3.82Å; Y314-F320 HydrophobicContact CG-CD2 4.22Å; Y314-F320 AromaticContact CZ-CD2 3.98Å; Y314-Q323 HydrophobicContact CE1-CB 4.13Å; Y314-Q323 HydrophobicContact CE1-CG 4.15Å
315K69.7Low71.8Confident136 Ų13669.4 Ų69.459%0.59132%0.321SS*.SBendtrans55-13-178.9-58.6176.1-173.5179.40116.9S312 S313S312-K315 PolarHBondContact O-N 3.42Å; S312-K315 VanDerWaalsContact O-N 3.13Å; S313-K315 VanDerWaalsContact C-N 3.33Å; S313-K315 PolarHBondContact O-N 2.91Å
316K74.9Confident72.7Confident146 Ų14670.4 Ų70.464%0.63533%0.331SS*.SBendtrans-145137.4176.7-70.3-172.9177.5-174.10109.2Y314 S318 K319 F320Y314-K316 PolarHBondContact O-N 3.46Å; K316-S318 VanDerWaalsContact C-N 3.28Å; K316-S318 PolarHBondContact O-N 2.85Å; K316-K319 PolarHBondContact O-N 3.11Å; K316-K319 VanDerWaalsContact O-N 3.14Å; K316-F320 PolarHBondContact O-N 2.81Å
317L70.8Confident73.5Confident29 Ų2965.7 Ų65.715%0.15231%0.309CS..Hα-helixtrans-60.4-35.2-178.8-171.750.7000113T289 L293 I309 K319 F320 L321T289-L317 HydrophobicContact CG2-CD2 3.32Å; T289-L317 HydrophobicContact CG2-CG 3.71Å; L293-L317 HydrophobicContact CB-CD2 4.12Å; L293-L317 HydrophobicContact CD2-CD2 4.1Å; L293-L317 HydrophobicContact CG-CD2 4.49Å; I309-L317 HydrophobicContact CD1-CB 4.33Å; I309-L317 HydrophobicContact CD1-CD1 4.16Å; I309-L317 HydrophobicContact CD1-CD2 4.21Å; I309-L317 HydrophobicContact CD1-CG 4.49Å; L317-K319 VanDerWaalsContact C-N 3.31Å; L317-K319 PolarHBondContact O-N 2.94Å; L317-F320 HydrophobicContact CD1-CB 4.49Å; L317-F320 HydrophobicContact CD1-CD1 3.9Å; L317-F320 WeakPolarHBondContact O-CB 3.29Å; L317-F320 PolarHBondContact O-N 2.79Å; L317-F320 VanDerWaalsContact O-N 3.13Å; L317-L321 HydrophobicContact CD1-CG 4.34Å; L317-L321 HydrophobicContact CG-CD1 4.3Å; L317-L321 HydrophobicContact CG-CG 4.38Å; L317-L321 WeakPolarHBondContact O-CG 3.31Å; L317-L321 PolarHBondContact O-N 3.14Å
318S73.6Confident73.7Confident44 Ų4471.3 Ų71.331%0.30834%0.335SS..Hα-helixtrans-56.6-40175.3-51.40000113.7K316 L321 Q322 E340K316-S318 VanDerWaalsContact C-N 3.28Å; K316-S318 PolarHBondContact O-N 2.85Å; S318-L321 PolarHBondContact O-N 3.07Å; S318-Q322 WeakPolarHBondContact O-CB 3.3Å; S318-Q322 WeakPolarHBondContact O-CG 3.39Å; S318-Q322 PolarHBondContact O-N 2.8Å; S318-E340 VanDerWaalsContact CA-OE2 3.24Å; S318-E340 WeakPolarHBondContact CA-OE2 3.48Å; S318-E340 WeakPolarHBondContact CB-OE1 3.37Å; S318-E340 WeakPolarHBondContact CB-OE2 3.48Å; S318-E340 PolarHBondContact OG-OE2 3.15Å
319K78Confident74Confident129 Ų12969.5 Ų69.556%0.56133%0.325SS*.Hα-helixtrans-68.6-38.4177.4-74.1-171169.9-168.60111.8Y314 K316 L317 Q322 Q323Y314-K319 WeakPolarHBondContact O-CD 3.44Å; K316-K319 PolarHBondContact O-N 3.11Å; K316-K319 VanDerWaalsContact O-N 3.14Å; L317-K319 VanDerWaalsContact C-N 3.31Å; L317-K319 PolarHBondContact O-N 2.94Å; K319-Q322 PolarHBondContact O-N 2.85Å; K319-Q323 PolarHBondContact O-N 2.87Å
320F78.4Confident74.6Confident0 Ų068.4 Ų68.40%032%0.32CS..Hα-helixtrans-64.5-44.9174.2174.9-107.6000111.6L268 Q269 F272 Y314 K316 L317 Q322 Q323 M324L268-F320 HydrophobicContact CD2-CB 4.49Å; L268-F320 HydrophobicContact CD2-CD1 4.19Å; L268-F320 HydrophobicContact CD2-CD2 3.72Å; L268-F320 HydrophobicContact CD2-CE1 4.34Å; L268-F320 HydrophobicContact CD2-CE2 3.89Å; L268-F320 HydrophobicContact CD2-CG 3.87Å; L268-F320 HydrophobicContact CD2-CZ 4.19Å; L268-F320 HydrophobicContact CG-CD2 4.42Å; L268-F320 HydrophobicContact CG-CE1 4.25Å; L268-F320 HydrophobicContact CG-CE2 4.11Å; L268-F320 HydrophobicContact CG-CZ 4.01Å; Q269-F320 HydrophobicContact CG-CE2 3.92Å; Q269-F320 HydrophobicContact CG-CZ 4.35Å; F272-F320 HydrophobicContact CB-CE1 4.27Å; F272-F320 HydrophobicContact CB-CZ 4.08Å; F272-F320 HydrophobicContact CD1-CZ 4.46Å; F272-F320 AromaticContact CD2-CE1 3.64Å; F272-F320 HydrophobicContact CD2-CE1 3.64Å; F272-F320 HydrophobicContact CD2-CZ 4.17Å; F272-F320 HydrophobicContact CE2-CE1 4.11Å; F272-F320 AromaticContact CG-CE1 3.95Å; F272-F320 HydrophobicContact CG-CE1 3.95Å; F272-F320 AromaticContact CG-CZ 3.99Å; F272-F320 HydrophobicContact CG-CZ 3.99Å; Y314-F320 HydrophobicContact CD1-CB 4.28Å; Y314-F320 HydrophobicContact CD2-CB 4.04Å; Y314-F320 AromaticContact CD2-CD2 3.7Å; Y314-F320 HydrophobicContact CD2-CD2 3.7Å; Y314-F320 HydrophobicContact CD2-CG 4.29Å; Y314-F320 HydrophobicContact CE1-CD2 4.44Å; Y314-F320 AromaticContact CE2-CD2 3.57Å; Y314-F320 HydrophobicContact CE2-CD2 3.57Å; Y314-F320 HydrophobicContact CE2-CE2 4.22Å; Y314-F320 HydrophobicContact CG-CB 3.82Å; Y314-F320 HydrophobicContact CG-CD2 4.22Å; Y314-F320 AromaticContact CZ-CD2 3.98Å; K316-F320 PolarHBondContact O-N 2.81Å; L317-F320 HydrophobicContact CD1-CB 4.49Å; L317-F320 HydrophobicContact CD1-CD1 3.9Å; L317-F320 WeakPolarHBondContact O-CB 3.29Å; L317-F320 PolarHBondContact O-N 2.79Å; L317-F320 VanDerWaalsContact O-N 3.13Å; F320-Q322 VanDerWaalsContact C-N 3.35Å; F320-Q322 PolarHBondContact O-N 3.18Å; F320-Q323 WeakPolarHBondContact O-CB 3.44Å; F320-Q323 PolarHBondContact O-N 3.5Å; F320-M324 HydrophobicContact CD1-CG 4.35Å; F320-M324 HydrophobicContact CD2-CG 4.38Å; F320-M324 HydrophobicContact CE1-CG 3.95Å; F320-M324 HydrophobicContact CE2-CE 4.15Å; F320-M324 HydrophobicContact CE2-CG 3.98Å; F320-M324 HydrophobicContact CE2-SD 4.08Å; F320-M324 HydrophobicContact CZ-CG 3.76Å; F320-M324 HydrophobicContact CZ-SD 3.96Å; F320-M324 WeakPolarHBondContact O-CG 3.41Å; F320-M324 PolarHBondContact O-N 2.93Å
321L76.7Confident75Confident2 Ų266.4 Ų66.41%0.0131%0.313CS..Hα-helixtrans-66.9-34.5177.5-64.9178.4000112.9F272 T289 L317 S318 M324 Q325 I330 V332 I342F272-L321 HydrophobicContact CE2-CD2 4.15Å; T289-L321 HydrophobicContact CG2-CD1 3.5Å; T289-L321 VanDerWaalsContact CG2-CD1 3.5Å; T289-L321 WeakPolarHBondContact OG1-CD1 3.48Å; L317-L321 HydrophobicContact CD1-CG 4.34Å; L317-L321 HydrophobicContact CG-CD1 4.3Å; L317-L321 HydrophobicContact CG-CG 4.38Å; L317-L321 WeakPolarHBondContact O-CG 3.31Å; L317-L321 PolarHBondContact O-N 3.14Å; S318-L321 PolarHBondContact O-N 3.07Å; L321-M324 PolarHBondContact O-N 3.19Å; L321-Q325 WeakPolarHBondContact O-CB 3.44Å; L321-Q325 PolarHBondContact O-N 3.17Å; L321-I330 HydrophobicContact CB-CD1 4.23Å; L321-I330 HydrophobicContact CD2-CD1 3.56Å; L321-I330 HydrophobicContact CG-CD1 4.46Å; L321-V332 HydrophobicContact CB-CG1 4.13Å; L321-V332 HydrophobicContact CD1-CG1 4.26Å; L321-I342 HydrophobicContact CD2-CD1 4.39Å
322Q77.1Confident75.5Confident106 Ų10661.5 Ų61.550%0.49529%0.293SS..Hα-helixtrans-63.4-40.5171.2-73.6165.214.200111.6S318 K319 F320 Q325 Q326S318-Q322 WeakPolarHBondContact O-CB 3.3Å; S318-Q322 WeakPolarHBondContact O-CG 3.39Å; S318-Q322 PolarHBondContact O-N 2.8Å; K319-Q322 PolarHBondContact O-N 2.85Å; F320-Q322 VanDerWaalsContact C-N 3.35Å; F320-Q322 PolarHBondContact O-N 3.18Å; Q322-Q325 PolarHBondContact O-N 2.93Å; Q322-Q326 WeakPolarHBondContact O-CB 3.22Å; Q322-Q326 PolarHBondContact O-N 3.38Å
323Q79.9Confident75.6Confident78 Ų7867 Ų6736%0.36432%0.317SS..Hα-helixtrans-63.1-47.2172.4-177.664.22400111.7Y314 K319 F320 Q325 Q326 E327Y314-Q323 HydrophobicContact CE1-CB 4.13Å; Y314-Q323 HydrophobicContact CE1-CG 4.15Å; K319-Q323 PolarHBondContact O-N 2.87Å; F320-Q323 WeakPolarHBondContact O-CB 3.44Å; F320-Q323 PolarHBondContact O-N 3.5Å; Q323-Q325 PolarHBondContact O-N 3.07Å; Q323-Q326 WeakPolarHBondContact O-CB 3.33Å; Q323-Q326 PolarHBondContact O-N 3.34Å; Q323-Q326 VanDerWaalsContact O-N 3.1Å; Q323-E327 PolarHBondContact NE2-OE1 3.07Å; Q323-E327 WeakPolarHBondContact O-CG 3.2Å; Q323-E327 PolarHBondContact O-N 3.49Å
324M76.4Confident75.9Confident3 Ų370.6 Ų70.62%0.01533%0.328CS..Hα-helixtrans-65.8-25.4177.5-63.4-65.995.900113.1F272 F320 L321 E327 I329 I330F272-M324 HydrophobicContact CD1-SD 4.28Å; F272-M324 HydrophobicContact CE1-CG 4.15Å; F272-M324 HydrophobicContact CE1-SD 4.13Å; F272-M324 HydrophobicContact CZ-CB 4.41Å; F272-M324 HydrophobicContact CZ-CG 4.25Å; F320-M324 HydrophobicContact CD1-CG 4.35Å; F320-M324 HydrophobicContact CD2-CG 4.38Å; F320-M324 HydrophobicContact CE1-CG 3.95Å; F320-M324 HydrophobicContact CE2-CE 4.15Å; F320-M324 HydrophobicContact CE2-CG 3.98Å; F320-M324 HydrophobicContact CE2-SD 4.08Å; F320-M324 HydrophobicContact CZ-CG 3.76Å; F320-M324 HydrophobicContact CZ-SD 3.96Å; F320-M324 WeakPolarHBondContact O-CG 3.41Å; F320-M324 PolarHBondContact O-N 2.93Å; L321-M324 PolarHBondContact O-N 3.19Å; M324-E327 WeakPolarHBondContact CE-OE2 3.5Å; M324-I329 PolarHBondContact O-N 3.26Å; M324-I329 HydrophobicContact SD-CD1 4.11Å; M324-I330 HydrophobicContact CB-CD1 3.9Å; M324-I330 HydrophobicContact CB-CG1 3.88Å; M324-I330 PolarHBondContact O-N 2.95Å
325Q80.4Confident75.6Confident75 Ų7573.8 Ų73.835%0.3535%0.347SS..Hα-helixtrans-75.7-40.2169178.6174.6-6300112.2L321 Q322 Q323 E327 Q328 I330 V332L321-Q325 WeakPolarHBondContact O-CB 3.44Å; L321-Q325 PolarHBondContact O-N 3.17Å; Q322-Q325 PolarHBondContact O-N 2.93Å; Q323-Q325 PolarHBondContact O-N 3.07Å; Q325-E327 PolarHBondContact O-N 3.26Å; Q325-Q328 WeakPolarHBondContact O-CA 3.35Å; Q325-Q328 PolarHBondContact O-N 3.26Å; Q325-Q328 PolarHBondContact O-NE2 3.41Å; Q325-Q328 VanDerWaalsContact O-NE2 3.11Å; Q325-I330 WeakPolarHBondContact CA-O 3.46Å; Q325-V332 PolarHBondContact OE1-O 3.37Å
326Q78.4Confident75.3Confident149 Ų14970.4 Ų70.470%0.69634%0.34SS*.Hα-helixtrans-61.5-37.8175.5-169.861.531.200111Q322 Q323 Q328Q322-Q326 WeakPolarHBondContact O-CB 3.22Å; Q322-Q326 PolarHBondContact O-N 3.38Å; Q323-Q326 WeakPolarHBondContact O-CB 3.33Å; Q323-Q326 PolarHBondContact O-N 3.34Å; Q323-Q326 VanDerWaalsContact O-N 3.1Å; Q326-Q328 PolarHBondContact O-N 3.05Å
327E74.4Confident74.1Confident43 Ų4373.4 Ų73.420%0.20135%0.353CS..THydrogen-bonded Turntrans-73.95.4171.7-65.9-176.5179.400114.7Q323 M324 Q325 I329 H349 R351Q323-E327 PolarHBondContact NE2-OE1 3.07Å; Q323-E327 WeakPolarHBondContact O-CG 3.2Å; Q323-E327 PolarHBondContact O-N 3.49Å; M324-E327 WeakPolarHBondContact CE-OE2 3.5Å; Q325-E327 PolarHBondContact O-N 3.26Å; E327-I329 HydrophobicContact CB-CD1 4.23Å; E327-I329 HydrophobicContact CB-CG1 4.05Å; E327-I329 PolarHBondContact O-N 3.34Å; E327-I329 VanDerWaalsContact O-N 3.16Å; E327-H349 PolarHBondContact O-NE2 3.31Å; E327-R351 IonicContact OE1-NH1 2.62Å; E327-R351 PolarHBondContact OE1-NH1 2.83Å; E327-R351 IonicContact OE2-CZ 3.21Å; E327-R351 IonicContact OE2-NH1 3.87Å; E327-R351 PolarHBondContact OE2-NH1 2.91Å
328Q72Confident73.6Confident128 Ų12875.4 Ų75.460%0.59838%0.381SS*.THydrogen-bonded Turntrans60.218179-55.1-60.2-63.900115.6Q325 Q326Q325-Q328 WeakPolarHBondContact O-CA 3.35Å; Q325-Q328 PolarHBondContact O-N 3.26Å; Q325-Q328 PolarHBondContact O-NE2 3.41Å; Q325-Q328 VanDerWaalsContact O-NE2 3.11Å; Q326-Q328 PolarHBondContact O-N 3.05Å
329I73.4Confident73.2Confident2 Ų275.8 Ų75.81%0.0138%0.381CS..SBendtrans-78.8-37.9179.6-53.5-175.3000110.9F272 L276 M324 E327 V345 D346 I352F272-I329 HydrophobicContact CE1-CG2 4.27Å; L276-I329 HydrophobicContact CD2-CG2 4.12Å; M324-I329 PolarHBondContact O-N 3.26Å; M324-I329 HydrophobicContact SD-CD1 4.11Å; E327-I329 HydrophobicContact CB-CD1 4.23Å; E327-I329 HydrophobicContact CB-CG1 4.05Å; E327-I329 PolarHBondContact O-N 3.34Å; E327-I329 VanDerWaalsContact O-N 3.16Å; I329-V345 WeakPolarHBondContact O-CA 3.38Å; I329-D346 PolarHBondContact O-N 2.87Å; I329-I352 HydrophobicContact CG2-CD1 3.98Å; I329-I352 HydrophobicContact CG2-CG1 4.43Å
330I80.9Confident72.9Confident3 Ų371.7 Ų71.72%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-135.7165-179.364.2172.3000112.4F272 L321 M324 Q325 V332 I342 A344 V345F272-I330 HydrophobicContact CE1-CG2 4.43Å; F272-I330 HydrophobicContact CZ-CD1 4.14Å; F272-I330 HydrophobicContact CZ-CG2 3.81Å; L321-I330 HydrophobicContact CB-CD1 4.23Å; L321-I330 HydrophobicContact CD2-CD1 3.56Å; L321-I330 HydrophobicContact CG-CD1 4.46Å; M324-I330 HydrophobicContact CB-CD1 3.9Å; M324-I330 HydrophobicContact CB-CG1 3.88Å; M324-I330 PolarHBondContact O-N 2.95Å; Q325-I330 WeakPolarHBondContact CA-O 3.46Å; I330-V332 HydrophobicContact CD1-CG1 3.87Å; I330-I342 HydrophobicContact CB-CG2 4.24Å; I330-I342 HydrophobicContact CG2-CG2 4.32Å; I330-A344 CarbonylContact C-O 3.51Å; I330-A344 WeakPolarHBondContact CA-O 3.37Å; I330-V345 HydrophobicContact CG2-CG1 4.46Å; I330-V345 HydrophobicContact CG2-CG2 4.16Å
331Q76.2Confident72.7Confident103 Ų10372 Ų7248%0.48137%0.366SS..EExtended strand (participates in β ladder)trans-123.3120.6166.6-59.4-179.6-0.200108.9V343 A344Q331-V343 PolarHBondContact O-N 3.43Å; Q331-A344 HydrophobicContact CB-CB 4.11Å; Q331-A344 HydrophobicContact CG-CB 4.21Å; Q331-A344 PolarHBondContact N-O 2.59Å; Q331-A344 PolarHBondContact O-N 3.48Å
332V78.1Confident72.7Confident22 Ų2272 Ų7213%0.13337%0.366CS..EExtended strand (participates in β ladder)trans-103.9145.2174.8-66.10000111.6L321 Q325 I330 S341 I342L321-V332 HydrophobicContact CB-CG1 4.13Å; L321-V332 HydrophobicContact CD1-CG1 4.26Å; Q325-V332 PolarHBondContact OE1-O 3.37Å; I330-V332 HydrophobicContact CD1-CG1 3.87Å; V332-S341 CarbonylContact C-O 3.56Å; V332-S341 WeakPolarHBondContact CA-O 3.31Å; V332-I342 HydrophobicContact CG1-CG1 4.03Å
333K76.4Confident72.4Confident119 Ų11969.2 Ų69.252%0.51736%0.356SS..EExtended strand (participates in β ladder)trans-138.4144169.9-60.4-173.6179.9178.90110L335 S341 V343K333-L335 HydrophobicContact CB-CD2 4.33Å; K333-L335 PolarHBondContact O-N 3.15Å; K333-S341 PolarHBondContact N-O 3.19Å; K333-S341 PolarHBondContact O-N 3.29Å; K333-V343 HydrophobicContact CB-CG2 3.8Å; K333-V343 HydrophobicContact CD-CG2 4.18Å; K333-V343 HydrophobicContact CG-CG2 3.92Å
334E77.8Confident71.8Confident127 Ų12766.9 Ų66.959%0.59335%0.35SS*.EExtended strand (participates in β ladder)trans-77.4105.9168.1-171.3179.2171.900108.4S336 K337 G338E334-S336 VanDerWaalsContact CG-O 3.26Å; E334-S336 WeakPolarHBondContact CG-O 3.46Å; E334-K337 WeakPolarHBondContact OE1-CA 3.47Å; E334-G338 PolarHBondContact OE1-N 3.09Å
335L63.8Low71.7Confident105 Ų10567.4 Ų67.455%0.5535%0.354SS..EExtended strand (participates in β ladder)trans-92.3-20.5-178.6-65.1180000112.6P286 K333 V343P286-L335 HydrophobicContact CB-CD1 3.72Å; P286-L335 HydrophobicContact CG-CD1 3.71Å; K333-L335 HydrophobicContact CB-CD2 4.33Å; K333-L335 PolarHBondContact O-N 3.15Å; L335-V343 HydrophobicContact CD1-CG2 4.49Å
336S62.7Low71.2Confident65 Ų6567.4 Ų67.446%0.45536%0.356SS..EExtended strand (participates in β ladder)trans-142149.3171.459.10000109.1E334 G338 V339E334-S336 VanDerWaalsContact CG-O 3.26Å; E334-S336 WeakPolarHBondContact CG-O 3.46Å; S336-G338 PolarHBondContact O-N 2.84Å; S336-V339 PolarHBondContact O-N 2.84Å
337K51.5Low70.7Confident209 Ų20963.9 Ų63.991%0.90934%0.336SS*.THydrogen-bonded Turntrans-52.7116-174.8-70.9-173176.7-175.60111.2E334E334-K337 WeakPolarHBondContact OE1-CA 3.47Å
338G60.3Low70Confident71 Ų7170.4 Ų70.473%0.73236%0.364SS*.THydrogen-bonded Turntrans87.45.2178.600000116.3E334 S336E334-G338 PolarHBondContact OE1-N 3.09Å; S336-G338 PolarHBondContact O-N 2.84Å
339V63.8Low69.7Low52 Ų5266.1 Ų66.132%0.31534%0.344SS..EExtended strand (participates in β ladder)trans-131.3112.6179.1-151.70000113.4L288 S336L288-V339 HydrophobicContact CD1-CB 4.26Å; L288-V339 HydrophobicContact CD1-CG1 3.49Å; L288-V339 VanDerWaalsContact CD1-CG1 3.49Å; L288-V339 HydrophobicContact CD2-CG1 4.42Å; L288-V339 HydrophobicContact CG-CG1 4.03Å; S336-V339 PolarHBondContact O-N 2.84Å
340E71.4Confident69Low44 Ų4470.2 Ų70.221%0.20637%0.371CS..EExtended strand (participates in β ladder)trans-74.9135.9174.4-65.5169.814200111.1T289 S318T289-E340 VanDerWaalsContact CB-O 3.23Å; T289-E340 WeakPolarHBondContact CB-O 3.15Å; T289-E340 PolarHBondContact N-O 2.76Å; T289-E340 PolarHBondContact OG1-O 3.26Å; S318-E340 VanDerWaalsContact CA-OE2 3.24Å; S318-E340 WeakPolarHBondContact CA-OE2 3.48Å; S318-E340 WeakPolarHBondContact CB-OE1 3.37Å; S318-E340 WeakPolarHBondContact CB-OE2 3.48Å; S318-E340 PolarHBondContact OG-OE2 3.15Å
341S75.6Confident68Low5 Ų575.6 Ų75.64%0.03539%0.391CS..EExtended strand (participates in β ladder)trans-128.1139.9178.3-171.10000110.5L287 V332 K333 V343L287-S341 VanDerWaalsContact C-OG 3.29Å; L287-S341 WeakPolarHBondContact O-CA 3.31Å; L287-S341 PolarHBondContact O-OG 3Å; V332-S341 CarbonylContact C-O 3.56Å; V332-S341 WeakPolarHBondContact CA-O 3.31Å; K333-S341 PolarHBondContact N-O 3.19Å; K333-S341 PolarHBondContact O-N 3.29Å; S341-V343 PolarHBondContact O-N 2.81Å
342I76.2Confident67.2Low4 Ų471 Ų712%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-82.4114177.3-54.8172.9000107.4L285 P286 L287 F292 L321 I330 V332 V345L285-I342 HydrophobicContact CD2-CG2 4.45Å; P286-I342 CarbonylContact C-O 3.38Å; P286-I342 VanDerWaalsContact CA-O 3.26Å; P286-I342 WeakPolarHBondContact CA-O 3.43Å; L287-I342 PolarHBondContact N-O 2.79Å; L287-I342 PolarHBondContact O-N 3.33Å; F292-I342 HydrophobicContact CD1-CD1 3.88Å; F292-I342 HydrophobicContact CE1-CD1 4.29Å; F292-I342 HydrophobicContact CG-CD1 4.13Å; L321-I342 HydrophobicContact CD2-CD1 4.39Å; I330-I342 HydrophobicContact CB-CG2 4.24Å; I330-I342 HydrophobicContact CG2-CG2 4.32Å; V332-I342 HydrophobicContact CG1-CG1 4.03Å; I342-V345 HydrophobicContact CG2-CG2 4.08Å
343V70.1Confident66.2Low46 Ų4674.6 Ų74.628%0.27939%0.392SS..EExtended strand (participates in β ladder)trans-99.6-33.3-172.1-177.60000112.2P286 Q331 K333 L335 S341P286-V343 HydrophobicContact CB-CG2 4.16Å; Q331-V343 PolarHBondContact O-N 3.43Å; K333-V343 HydrophobicContact CB-CG2 3.8Å; K333-V343 HydrophobicContact CD-CG2 4.18Å; K333-V343 HydrophobicContact CG-CG2 3.92Å; L335-V343 HydrophobicContact CD1-CG2 4.49Å; S341-V343 PolarHBondContact O-N 2.81Å
344A68.5Low65.1Low29 Ų2973.2 Ų73.224%0.2440%0.397CS..EExtended strand (participates in β ladder)trans-144.9159.1175.600000110.9I330 Q331I330-A344 CarbonylContact C-O 3.51Å; I330-A344 WeakPolarHBondContact CA-O 3.37Å; Q331-A344 HydrophobicContact CB-CB 4.11Å; Q331-A344 HydrophobicContact CG-CB 4.21Å; Q331-A344 PolarHBondContact N-O 2.59Å; Q331-A344 PolarHBondContact O-N 3.48Å
345V73.6Confident63.9Low15 Ų1568.9 Ų68.99%0.09138%0.376CS..EExtended strand (participates in β ladder)trans-136.6144.5177.6179.40000106.8L276 L285 I329 I330 I342 W347 I352L276-V345 HydrophobicContact CD1-CB 4.44Å; L276-V345 HydrophobicContact CD1-CG1 3.78Å; L276-V345 HydrophobicContact CD1-CG2 3.81Å; L276-V345 HydrophobicContact CD2-CG1 3.76Å; L276-V345 HydrophobicContact CG-CG1 3.91Å; L285-V345 HydrophobicContact CD1-CG2 4.23Å; I329-V345 WeakPolarHBondContact O-CA 3.38Å; I330-V345 HydrophobicContact CG2-CG1 4.46Å; I330-V345 HydrophobicContact CG2-CG2 4.16Å; I342-V345 HydrophobicContact CG2-CG2 4.08Å; V345-W347 HydrophobicContact CB-CD2 4.19Å; V345-W347 HydrophobicContact CB-CE3 4.02Å; V345-W347 HydrophobicContact CB-CH2 3.7Å; V345-W347 HydrophobicContact CB-CZ2 3.86Å; V345-W347 HydrophobicContact CB-CZ3 3.78Å; V345-W347 HydrophobicContact CG1-CD2 4.12Å; V345-W347 HydrophobicContact CG1-CE3 4.36Å; V345-W347 HydrophobicContact CG1-CZ2 4.33Å; V345-W347 HydrophobicContact CG2-CH2 4.2Å; V345-W347 HydrophobicContact CG2-CZ2 4.25Å; V345-W347 WeakPolarHBondContact O-CZ3 3.31Å; V345-I352 HydrophobicContact CG1-CD1 4.41Å
346D70.1Confident63.1Low74 Ų7469.8 Ų69.840%0.39639%0.386SS..  trans-100.791.7168.6-168.61.7000112.2I329 K348 H349 I352I329-D346 PolarHBondContact O-N 2.87Å; D346-K348 PolarHBondContact O-N 3.45Å; D346-K348 WeakPolarHBondContact OD1-CB 3.49Å; D346-K348 PolarHBondContact OD1-N 3.3Å; D346-H349 VanDerWaalsContact O-CB 3.31Å; D346-H349 WeakPolarHBondContact O-CB 3.42Å; D346-H349 PolarHBondContact O-N 2.64Å; D346-H349 VanDerWaalsContact O-N 3.07Å; D346-I352 WeakPolarHBondContact O-CD1 3.5Å
347W66.9Low62.8Low76 Ų7670.1 Ų70.129%0.28838%0.382SS..THydrogen-bonded Turntrans-61.7-9.2174.7-67-92.4000114.8K282 L285 V345K282-W347 HydrophobicContact CB-CH2 4.5Å; K282-W347 HydrophobicContact CD-CH2 4.45Å; K282-W347 HydrophobicContact CD-CZ3 4.24Å; K282-W347 HydrophobicContact CG-CE3 4.44Å; K282-W347 HydrophobicContact CG-CH2 3.6Å; K282-W347 HydrophobicContact CG-CZ2 3.95Å; K282-W347 HydrophobicContact CG-CZ3 3.88Å; L285-W347 HydrophobicContact CD1-CH2 3.71Å; L285-W347 HydrophobicContact CD1-CZ2 4.48Å; V345-W347 HydrophobicContact CB-CD2 4.19Å; V345-W347 HydrophobicContact CB-CE3 4.02Å; V345-W347 HydrophobicContact CB-CH2 3.7Å; V345-W347 HydrophobicContact CB-CZ2 3.86Å; V345-W347 HydrophobicContact CB-CZ3 3.78Å; V345-W347 HydrophobicContact CG1-CD2 4.12Å; V345-W347 HydrophobicContact CG1-CE3 4.36Å; V345-W347 HydrophobicContact CG1-CZ2 4.33Å; V345-W347 HydrophobicContact CG2-CH2 4.2Å; V345-W347 HydrophobicContact CG2-CZ2 4.25Å; V345-W347 WeakPolarHBondContact O-CZ3 3.31Å
348K60Low62.5Low179 Ų17963.5 Ų63.578%0.77836%0.36SS*.THydrogen-bonded Turntrans-89.4-6.2174.4-62.9-176.1176.7-177.80113.4D346D346-K348 PolarHBondContact O-N 3.45Å; D346-K348 WeakPolarHBondContact OD1-CB 3.49Å; D346-K348 PolarHBondContact OD1-N 3.3Å
349H66.6Low61.2Low39 Ų3968.7 Ų68.718%0.18137%0.365CS..  trans-62.5135.5-174.2-171.4-100.6000112.6E327 D346 R351 I352 T353E327-H349 PolarHBondContact O-NE2 3.31Å; D346-H349 VanDerWaalsContact O-CB 3.31Å; D346-H349 WeakPolarHBondContact O-CB 3.42Å; D346-H349 PolarHBondContact O-N 2.64Å; D346-H349 VanDerWaalsContact O-N 3.07Å; H349-R351 VanDerWaalsContact C-N 3.31Å; H349-R351 PolarHBondContact ND1-N 3.41Å; H349-R351 PolarHBondContact O-N 3.01Å; H349-I352 WeakPolarHBondContact O-CA 3.3Å; H349-I352 WeakPolarHBondContact O-CB 3.39Å; H349-I352 PolarHBondContact O-N 2.93Å; H349-T353 PolarHBondContact O-N 3.48Å; H349-T353 VanDerWaalsContact O-N 3.1Å; H349-T353 PolarHBondContact O-OG1 3.28Å
350P58.4Low59.9Low88 Ų8871.9 Ų71.957%0.57139%0.387SS*.Hα-helixtrans-53-39.6-176-30.736.7000115.1I352 T353 S354P350-I352 PolarHBondContact O-N 2.88Å; P350-T353 WeakPolarHBondContact CA-OG1 3.35Å; P350-T353 PolarHBondContact O-N 3.01Å; P350-T353 PolarHBondContact O-OG1 2.68Å; P350-S354 WeakPolarHBondContact O-CB 3.46Å; P350-S354 PolarHBondContact O-N 3.18Å; P350-S354 PolarHBondContact O-OG 2.79Å
351R59.1Low57.8Low115 Ų11573.2 Ų73.243%0.43440%0.401SS..Hα-helixtrans-65.3-23.4177-72.2-176.4166.7-177.8-7.1113.6E327 H349 F355E327-R351 IonicContact OE1-NH1 2.62Å; E327-R351 PolarHBondContact OE1-NH1 2.83Å; E327-R351 IonicContact OE2-CZ 3.21Å; E327-R351 IonicContact OE2-NH1 3.87Å; E327-R351 PolarHBondContact OE2-NH1 2.91Å; H349-R351 VanDerWaalsContact C-N 3.31Å; H349-R351 PolarHBondContact ND1-N 3.41Å; H349-R351 PolarHBondContact O-N 3.01Å; R351-F355 WeakPolarHBondContact O-CB 3.17Å
352I60.5Low55.8Low8 Ų879.4 Ų79.44%0.04144%0.441CS..Hα-helixtrans-81.4-54.5171-64.9175.5000108.3L273 L276 K277 I329 V345 D346 H349 P350 S354 F355L273-I352 HydrophobicContact CD2-CG1 3.74Å; L276-I352 HydrophobicContact CD2-CD1 3.73Å; L276-I352 HydrophobicContact CD2-CG1 4.47Å; K277-I352 WeakPolarHBondContact CE-O 3.22Å; K277-I352 HydrophobicContact CG-CG2 4Å; K277-I352 PolarHBondContact NZ-O 3.1Å; I329-I352 HydrophobicContact CG2-CD1 3.98Å; I329-I352 HydrophobicContact CG2-CG1 4.43Å; V345-I352 HydrophobicContact CG1-CD1 4.41Å; D346-I352 WeakPolarHBondContact O-CD1 3.5Å; H349-I352 WeakPolarHBondContact O-CA 3.3Å; H349-I352 WeakPolarHBondContact O-CB 3.39Å; H349-I352 PolarHBondContact O-N 2.93Å; P350-I352 PolarHBondContact O-N 2.88Å; I352-S354 VanDerWaalsContact C-N 3.31Å; I352-S354 PolarHBondContact O-N 2.85Å; I352-F355 PolarHBondContact O-N 2.83Å; I352-F355 VanDerWaalsContact O-N 3.14Å
353T56.7Low53.7Low97 Ų9784.1 Ų84.160%0.59547%0.471SS*.Hα-helixtrans-61.4-33.8-175.835.70000113.9H349 P350H349-T353 PolarHBondContact O-N 3.48Å; H349-T353 VanDerWaalsContact O-N 3.1Å; H349-T353 PolarHBondContact O-OG1 3.28Å; P350-T353 WeakPolarHBondContact CA-OG1 3.35Å; P350-T353 PolarHBondContact O-N 3.01Å; P350-T353 PolarHBondContact O-OG1 2.68Å
354S54.5Low51.8Low90 Ų9085.1 Ų85.163%0.62948%0.48SS*.THydrogen-bonded Turntrans-79.1-15.6176.9700000115.4P350 I352 V356P350-S354 WeakPolarHBondContact O-CB 3.46Å; P350-S354 PolarHBondContact O-N 3.18Å; P350-S354 PolarHBondContact O-OG 2.79Å; I352-S354 VanDerWaalsContact C-N 3.31Å; I352-S354 PolarHBondContact O-N 2.85Å; S354-V356 PolarHBondContact O-N 3.18Å; S354-V356 VanDerWaalsContact O-N 3.1Å
355F52.6Low50.1Low36 Ų3692.7 Ų92.716%0.15851%0.51CS..  trans-71.1106.3-176.3-176.7-97.4000111.6Q270 L273 H274 K277 R351 I352 I357Q270-F355 HydrophobicContact CB-CE2 4.46Å; Q270-F355 HydrophobicContact CG-CE2 3.9Å; Q270-F355 HydrophobicContact CG-CZ 3.79Å; L273-F355 HydrophobicContact CB-CD1 4.39Å; L273-F355 HydrophobicContact CB-CD2 4.23Å; L273-F355 HydrophobicContact CB-CE2 4.4Å; L273-F355 HydrophobicContact CB-CG 4.23Å; L273-F355 HydrophobicContact CD1-CD2 4.1Å; H274-F355 HydrophobicContact CB-CE1 4.05Å; H274-F355 HydrophobicContact CB-CZ 4.32Å; K277-F355 HydrophobicContact CD-CD1 4.32Å; K277-F355 PolarHBondContact NZ-O 3.4Å; R351-F355 WeakPolarHBondContact O-CB 3.17Å; I352-F355 PolarHBondContact O-N 2.83Å; I352-F355 VanDerWaalsContact O-N 3.14Å; F355-I357 PolarHBondContact O-N 2.65Å
356V46.9Very low48.3Very low124 Ų12497.6 Ų97.675%0.75254%0.54SS*.PPolyproline II helixtrans-71.4123.7170.6-178.90000108.1S354 P358S354-V356 PolarHBondContact O-N 3.18Å; S354-V356 VanDerWaalsContact O-N 3.1Å; V356-P358 WeakPolarHBondContact O-CD 3.49Å
357I55.4Low46.7Very low71 Ų71101.6 Ų101.636%0.36456%0.56SS.*PPolyproline II helixtrans-67.4124.1173-66.6165.2000106.9K277 F355 E359K277-I357 HydrophobicContact CD-CD1 4.3Å; K277-I357 HydrophobicContact CD-CG1 4.25Å; F355-I357 PolarHBondContact O-N 2.65Å; I357-E359 PolarHBondContact O-N 3.3Å
358P45.7Very low45Very low71 Ų71107 Ų10746%0.46159%0.588SS.*PPolyproline II helixtrans-57.1125.5168.7-20.232.2000108.2V356V356-P358 WeakPolarHBondContact O-CD 3.49Å
359E32.8Very low43.6Very low180 Ų180104 Ų10484%0.84158%0.577SS**PPolyproline II helixtrans-57.9134.6176.8-72-166.1141.300109.3I357 S361I357-E359 PolarHBondContact O-N 3.3Å; E359-S361 PolarHBondContact O-N 2.86Å
360P36.7Very low41.8Very low118 Ų118106.3 Ų106.377%0.76661%0.612SS**  trans-65.2107.8167.628.1-31.5000107.1
361S27.6Very low40.7Very low72 Ų72107.8 Ų107.850%0.50362%0.624SS.*  trans-53.6132169470000108.1E359 T363E359-S361 PolarHBondContact O-N 2.86Å; S361-T363 PolarHBondContact O-N 2.89Å
362P33.2Very low39.5Very low135 Ų135110.6 Ų110.688%0.87764%0.635SS**THydrogen-bonded Turntrans-72.525.7-173.929.8-36.4000113.7
363T31.4Very low38.8Very low104 Ų104117 Ų11764%0.63867%0.665SS**THydrogen-bonded Turntrans-104.5-15.4-172.5-40.20000112.6S361 Q365S361-T363 PolarHBondContact O-N 2.89Å; T363-Q365 PolarHBondContact O-N 3.42Å
364S30.6Very low38.6Very low67 Ų67121 Ų12147%0.46968%0.677SS.*  trans-75.350.4176.9-59.40000113.8E303E303-S364 WeakPolarHBondContact OE1-CB 3.17Å; E303-S364 PolarHBondContact OE1-OG 3.05Å
365Q32.7Very low39.2Very low188 Ų188121.3 Ų121.388%0.87968%0.676SS**SBendtrans-134.636162.6-78.4-157.1-6.800112.2T363T363-Q365 PolarHBondContact O-N 3.42Å
366T35.9Very low40.3Very low117 Ų117122.1 Ų122.172%0.71868%0.678SS**SBendtrans-145.4144.2164.6-21.80000111.8
367I35.7Very low41.6Very low159 Ų159121.7 Ų121.782%0.81567%0.668SS**SBendtrans75.362.2170.7-37.6169.9000115.9
368Q32.4Very low42.6Very low189 Ų189121 Ų12188%0.88367%0.668SS**SBend-167.490.4126.4-108.8-179.255.800110.6
369E29.6Very low44.4Very low115 Ų115118.2 Ų118.254%0.53765%0.65SS.*  trans178.567.2148.2-103.3175.7-165.900111.1S371 R372E369-S371 PolarHBondContact O-N 3.44Å; E369-R372 HydrophobicContact CG-CG 4.32Å; E369-R372 IonicContact OE1-CZ 2.63Å; E369-R372 IonicContact OE1-NE 3.44Å; E369-R372 IonicContact OE1-NH1 3.52Å; E369-R372 PolarHBondContact OE1-NH1 2.88Å; E369-R372 IonicContact OE1-NH2 3.9Å; E369-R372 WeakPolarHBondContact OE2-CB 3.3Å; E369-R372 VanDerWaalsContact OE2-CD 3.31Å; E369-R372 WeakPolarHBondContact OE2-CD 3.41Å; E369-R372 IonicContact OE2-NH1 3.3Å
370G28.4Very low46.9Very low89 Ų89113.8 Ų113.892%0.91863%0.632SS**THydrogen-bonded Turntrans-73.457.3168.100000112.8
371S36.2Very low49.4Very low119 Ų119109.7 Ų109.783%0.83260%0.603SS**THydrogen-bonded Turntrans178.512.7163.656.30000115.4E369E369-S371 PolarHBondContact O-N 3.44Å
372R34.2Very low52.4Low174 Ų174109.8 Ų109.866%0.65760%0.595SS**SBendtrans-110.5134.7171.1-63.8-155.9-174.2133.48.9111.1E369 Q374E369-R372 HydrophobicContact CG-CG 4.32Å; E369-R372 IonicContact OE1-CZ 2.63Å; E369-R372 IonicContact OE1-NE 3.44Å; E369-R372 IonicContact OE1-NH1 3.52Å; E369-R372 PolarHBondContact OE1-NH1 2.88Å; E369-R372 IonicContact OE1-NH2 3.9Å; E369-R372 WeakPolarHBondContact OE2-CB 3.3Å; E369-R372 VanDerWaalsContact OE2-CD 3.31Å; E369-R372 WeakPolarHBondContact OE2-CD 3.41Å; E369-R372 IonicContact OE2-NH1 3.3Å; R372-Q374 PolarHBondContact O-N 3.35Å
373E44.8Very low55.1Low142 Ų142107.8 Ų107.866%0.66458%0.582SS**PPolyproline II helixtrans-55.8129.3171.3-61.6-176145.200108.5S519E373-S519 WeakPolarHBondContact OE1-CB 3.23Å; E373-S519 PolarHBondContact OE1-OG 3.23Å; E373-S519 PolarHBondContact OE2-OG 2.95Å
374Q53.8Low58Low182 Ų182103.3 Ų103.385%0.8555%0.554SS**PPolyproline II helixtrans-56.5137.9175.7-72.9-177.6-17.700109.3R372 Y376R372-Q374 PolarHBondContact O-N 3.35Å; Q374-Y376 PolarHBondContact O-N 3.07Å
375P66.8Low61Low95 Ų95102.9 Ų102.962%0.61754%0.542SS*.PPolyproline II helixtrans-57.8129.2179.224.6-33.7000109.5H377P375-H377 PolarHBondContact O-CD2 3.01Å; P375-H377 VanDerWaalsContact O-CD2 3.28Å; P375-H377 PolarHBondContact O-N 2.95Å
376Y75.4Confident63.9Low53 Ų5394 Ų9421%0.20850%0.501CS..PPolyproline II helixtrans-62.6122.2-179.9172.3-91.3000110Q374 P378 P379 Y513 L515 Y564 L566Q374-Y376 PolarHBondContact O-N 3.07Å; Y376-P378 HydrophobicContact CE1-CB 4.38Å; Y376-P379 WeakPolarHBondContact OH-CD 3.39Å; Y376-Y513 PolarHBondContact OH-O 3.5Å; Y376-L515 HydrophobicContact CD1-CD2 4.4Å; Y376-L515 HydrophobicContact CD2-CD2 3.51Å; Y376-L515 HydrophobicContact CD2-CG 4.43Å; Y376-L515 HydrophobicContact CE1-CD2 4.29Å; Y376-L515 HydrophobicContact CE2-CD2 3.38Å; Y376-L515 HydrophobicContact CE2-CG 3.83Å; Y376-L515 HydrophobicContact CG-CD2 4.01Å; Y376-Y564 AromaticContact CD1-CD1 3.43Å; Y376-Y564 HydrophobicContact CD1-CD1 3.43Å; Y376-Y564 VanDerWaalsContact CD1-CD1 3.43Å; Y376-Y564 HydrophobicContact CD1-CE1 4.28Å; Y376-Y564 AromaticContact CD1-CG 3.87Å; Y376-Y564 HydrophobicContact CD1-CG 3.87Å; Y376-Y564 HydrophobicContact CE1-CD1 4.21Å; Y376-Y564 HydrophobicContact CE1-CG 4.2Å; Y376-Y564 AromaticContact CG-CD1 3.64Å; Y376-Y564 HydrophobicContact CG-CD1 3.64Å; Y376-Y564 HydrophobicContact CG-CE1 4.04Å; Y376-Y564 HydrophobicContact CG-CG 4.4Å; Y376-L566 HydrophobicContact CE1-CD2 4.44Å
377H74.3Confident66.7Low116 Ų11688.5 Ų88.554%0.53747%0.467SS..PPolyproline II helixtrans-101.9130.3171.9-68.5-64.8000109.5P375 P477P375-H377 PolarHBondContact O-CD2 3.01Å; P375-H377 VanDerWaalsContact O-CD2 3.28Å; P375-H377 PolarHBondContact O-N 2.95Å; H377-P477 HydrophobicContact CB-CG 3.85Å
378P76.6Confident69.4Low56 Ų5681.4 Ų81.436%0.36443%0.432SS..PPolyproline II helixtrans-64.4134.3-177.626.3-34.1000110.7Y376Y376-P378 HydrophobicContact CE1-CB 4.38Å
379P83.6Confident72.1Confident13 Ų1375.3 Ų75.38%0.08441%0.414CS..PPolyproline II helixtrans-70.8146.8179.127.7-34.4000112Y376 I381 V474 T475 F476Y376-P379 WeakPolarHBondContact OH-CD 3.39Å; P379-I381 HydrophobicContact CB-CG1 4.49Å; P379-I381 HydrophobicContact CG-CD1 4.2Å; P379-I381 HydrophobicContact CG-CG1 4.28Å; P379-I381 PolarHBondContact O-N 3.14Å; P379-V474 HydrophobicContact CB-CG1 3.62Å; P379-V474 HydrophobicContact CG-CG1 4.11Å; P379-T475 WeakPolarHBondContact CA-O 3.48Å; P379-F476 HydrophobicContact CB-CD1 3.69Å; P379-F476 HydrophobicContact CB-CE1 3.65Å; P379-F476 HydrophobicContact CB-CG 4.41Å; P379-F476 HydrophobicContact CB-CZ 4.36Å; P379-F476 HydrophobicContact CG-CD1 4.25Å; P379-F476 HydrophobicContact CG-CE1 3.78Å
380D85.8Confident74.9Confident86 Ų8673.5 Ų73.546%0.4641%0.413SS..EExtended strand (participates in β ladder)trans-75.9122.8166.9-178.127000109.5K382 T475D380-K382 WeakPolarHBondContact OD2-CE 3.28Å; D380-T475 PolarHBondContact N-O 2.9Å; D380-T475 PolarHBondContact O-N 3.12Å
381I88.6Confident77.7Confident32 Ų3269.2 Ų69.216%0.16437%0.37CS..EExtended strand (participates in β ladder)trans-119.3105.4-174-62162.5000108.8P379 Q473 V474 I488 Y513P379-I381 HydrophobicContact CB-CG1 4.49Å; P379-I381 HydrophobicContact CG-CD1 4.2Å; P379-I381 HydrophobicContact CG-CG1 4.28Å; P379-I381 PolarHBondContact O-N 3.14Å; I381-Q473 WeakPolarHBondContact CA-O 3.4Å; I381-V474 HydrophobicContact CG1-CG1 4.29Å; I381-I488 HydrophobicContact CD1-CD1 3.79Å; I381-I488 HydrophobicContact CG1-CD1 4.3Å; I381-I488 HydrophobicContact CG2-CD1 3.7Å; I381-Y513 HydrophobicContact CD1-CD1 3.9Å; I381-Y513 HydrophobicContact CD1-CE1 3.64Å
382K89.4Confident80.3Confident75 Ų7565.7 Ų65.733%0.32634%0.343SS..EExtended strand (participates in β ladder)trans-102.6128.7179.5-61.8-172.2179.7-171.70111.2D380 E407 Y472 Q473D380-K382 WeakPolarHBondContact OD2-CE 3.28Å; K382-E407 IonicContact NZ-OE1 3.59Å; K382-Y472 CarbonylContact O-C 3.58Å; K382-Y472 VanDerWaalsContact O-CA 3.3Å; K382-Y472 WeakPolarHBondContact O-CA 3.29Å; K382-Q473 PolarHBondContact N-O 3.06Å; K382-Q473 PolarHBondContact O-N 3.32Å
383P90.4Very high82.9Confident92 Ų9262 Ų6260%0.59734%0.336SS*.EExtended strand (participates in β ladder)trans-74.2131.4172.630.8-32.5000110.2
384L93.3Very high85Confident10 Ų1055.2 Ų55.25%0.05230%0.304CS..EExtended strand (participates in β ladder)trans-123161.8179.1-66.2-178.3000111F405 L406 E407 A471 Q473 V483L384-F405 HydrophobicContact CD1-CB 4.2Å; L384-L406 CarbonylContact C-O 3.5Å; L384-L406 WeakPolarHBondContact CA-O 3.35Å; L384-E407 HydrophobicContact CD2-CG 3.75Å; L384-A471 HydrophobicContact CB-CB 4Å; L384-A471 PolarHBondContact N-O 3.14Å; L384-A471 CarbonylContact O-C 3.52Å; L384-A471 WeakPolarHBondContact O-CA 3.42Å; L384-A471 PolarHBondContact O-N 3.42Å; L384-Q473 HydrophobicContact CD1-CB 3.66Å; L384-Q473 HydrophobicContact CG-CB 4.26Å; L384-V483 HydrophobicContact CD1-CG1 4.23Å; L384-V483 HydrophobicContact CD1-CG2 4.38Å
385Y93.9Very high86.8Confident58 Ų5846.6 Ų46.623%0.22726%0.264CS..EExtended strand (participates in β ladder)trans-125.7126.1178.1-63.1-89.8000109.1F405 L406 L465 L468Y385-F405 CarbonylContact O-C 3.57Å; Y385-F405 WeakPolarHBondContact O-CA 3.46Å; Y385-L406 PolarHBondContact N-O 3.35Å; Y385-L406 PolarHBondContact O-N 3.12Å; Y385-L465 HydrophobicContact CD1-CD2 4.09Å; Y385-L465 HydrophobicContact CD2-CD2 4.01Å; Y385-L465 HydrophobicContact CE1-CB 4.16Å; Y385-L465 HydrophobicContact CE1-CD2 3.86Å; Y385-L465 WeakPolarHBondContact CE1-O 3.24Å; Y385-L465 HydrophobicContact CE2-CD2 3.8Å; Y385-L465 HydrophobicContact CG-CD2 4.17Å; Y385-L468 HydrophobicContact CD1-CB 3.98Å; Y385-L468 HydrophobicContact CD1-CD1 4.37Å; Y385-L468 HydrophobicContact CG-CB 4.42Å; Y385-L468 HydrophobicContact CG-CD1 4.23Å
386C93.8Very high87.8Confident1 Ų148 Ų481%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-99.7127.6-179.5173.60000110.1P388 S404 F405 Q469 A471C386-P388 WeakPolarHBondContact O-CD 3.47Å; C386-S404 WeakPolarHBondContact CA-O 3.44Å; C386-F405 HydrophobicContact CB-CD1 3.8Å; C386-F405 HydrophobicContact CB-CE1 3.85Å; C386-Q469 HydrophobicContact CB-CB 4.06Å; C386-Q469 PolarHBondContact N-O 2.63Å; C386-Q469 PolarHBondContact O-N 2.98Å; C386-A471 HydrophobicContact CB-CB 4.5Å
387V93.7Very high88.2Confident2 Ų251.1 Ų51.11%0.01228%0.279CS..PPolyproline II helixtrans-69.3117.1-176.3-179.40000110.8F395 G403 S404 L406 L468V387-F395 HydrophobicContact CG1-CB 4.24Å; V387-F395 HydrophobicContact CG1-CD2 3.95Å; V387-F395 HydrophobicContact CG1-CG 4.17Å; V387-F395 HydrophobicContact CG2-CD1 4.23Å; V387-F395 HydrophobicContact CG2-CD2 4.3Å; V387-F395 HydrophobicContact CG2-CG 4.14Å; V387-G403 PolarHBondContact O-N 2.91Å; V387-S404 PolarHBondContact N-O 3.49Å; V387-L406 HydrophobicContact CG2-CD1 3.79Å; V387-L406 HydrophobicContact CG2-CG 4.42Å; V387-L468 HydrophobicContact CG2-CD2 4.44Å
388P92.3Very high88.8Confident11 Ų1147.5 Ų47.57%0.07127%0.267CS..PPolyproline II helixtrans-78169.1176.234.4-35.5000111.6C386 S390 M391 T392 Q469C386-P388 WeakPolarHBondContact O-CD 3.47Å; P388-S390 VanDerWaalsContact C-N 3.32Å; P388-S390 PolarHBondContact O-N 3.49Å; P388-M391 HydrophobicContact CG-CB 4.02Å; P388-M391 HydrophobicContact CG-CG 3.81Å; P388-M391 HydrophobicContact CG-SD 4.01Å; P388-M391 PolarHBondContact O-N 2.86Å; P388-T392 PolarHBondContact O-OG1 3.17Å; P388-T392 VanDerWaalsContact O-OG1 3.1Å; P388-Q469 HydrophobicContact CB-CG 4.36Å
389A89.4Confident89.3Confident61 Ų6147.6 Ų47.650%0.50428%0.278SS..SBendtrans-61.9-38.6177.300000112.8M391 T392 K402A389-M391 PolarHBondContact O-N 2.85Å; A389-T392 WeakPolarHBondContact O-CB 3.31Å; A389-T392 PolarHBondContact O-N 3.31Å; A389-T392 PolarHBondContact O-OG1 3.02Å; A389-K402 HydrophobicContact CB-CD 3.93Å; A389-K402 HydrophobicContact CB-CG 4.44Å
390S87.9Confident89.6Confident76 Ų7649.7 Ų49.753%0.53129%0.286SS..G310 helixtrans-58.4-44.418044.60000112.8P388 T392 C442P388-S390 VanDerWaalsContact C-N 3.32Å; P388-S390 PolarHBondContact O-N 3.49Å; S390-T392 VanDerWaalsContact C-N 3.31Å; S390-T392 PolarHBondContact O-N 3.36Å; S390-C442 PolarHBondContact O-SG 2.58Å; S390-C442 VanDerWaalsContact O-SG 3.4Å
391M88.4Confident89.9Confident0 Ų053.1 Ų53.10%030%0.297CS..G310 helixtrans-86.64.8-175.7-56.8-178.682.800113.6P388 A389 L393 L394 F395 C442 C464 K467 L468P388-M391 HydrophobicContact CG-CB 4.02Å; P388-M391 HydrophobicContact CG-CG 3.81Å; P388-M391 HydrophobicContact CG-SD 4.01Å; P388-M391 PolarHBondContact O-N 2.86Å; A389-M391 PolarHBondContact O-N 2.85Å; M391-L393 PolarHBondContact O-N 3.12Å; M391-L394 HydrophobicContact CE-CD2 3.93Å; M391-L394 WeakPolarHBondContact O-CB 3.35Å; M391-L394 PolarHBondContact O-N 2.78Å; M391-L394 VanDerWaalsContact O-N 3.07Å; M391-F395 HydrophobicContact CB-CD2 4.11Å; M391-F395 HydrophobicContact CB-CE2 4.19Å; M391-F395 HydrophobicContact CE-CE2 4.28Å; M391-F395 WeakPolarHBondContact O-CD2 3.18Å; M391-F395 PolarHBondContact O-N 3.16Å; M391-C442 HydrophobicContact CG-CB 4.21Å; M391-C464 HydrophobicContact CE-CB 4.15Å; M391-K467 HydrophobicContact CE-CB 4.3Å; M391-K467 HydrophobicContact SD-CB 3.67Å; M391-L468 HydrophobicContact SD-CD2 3.76Å; M391-L468 HydrophobicContact SD-CG 4Å
392T89.8Confident90Very high44 Ų4458.8 Ų58.827%0.2732%0.32SS..G310 helixtrans-60.7-30.9-174.1-63.10000112.7P388 A389 S390 F395 Q396P388-T392 PolarHBondContact O-OG1 3.17Å; P388-T392 VanDerWaalsContact O-OG1 3.1Å; A389-T392 WeakPolarHBondContact O-CB 3.31Å; A389-T392 PolarHBondContact O-N 3.31Å; A389-T392 PolarHBondContact O-OG1 3.02Å; S390-T392 VanDerWaalsContact C-N 3.31Å; S390-T392 PolarHBondContact O-N 3.36Å; T392-F395 PolarHBondContact O-N 2.92Å; T392-Q396 PolarHBondContact O-N 3.23Å; T392-Q396 VanDerWaalsContact O-N 3.08Å
393L88.6Confident89.9Confident96 Ų9656.6 Ų56.650%0.50332%0.32SS..THydrogen-bonded Turntrans-65.6-41.9174.9-64.9175.9000112.6M391 F395 Q396 I438M391-L393 PolarHBondContact O-N 3.12Å; L393-F395 VanDerWaalsContact C-N 3.26Å; L393-F395 PolarHBondContact O-N 3.16Å; L393-Q396 VanDerWaalsContact O-CB 3.31Å; L393-Q396 WeakPolarHBondContact O-CB 3.29Å; L393-Q396 PolarHBondContact O-N 3.32Å; L393-I438 HydrophobicContact CB-CG2 3.9Å
394L89.4Confident90Very high1 Ų154 Ų541%0.00530%0.304CS..THydrogen-bonded Turntrans-64.2-31.7178.2-175.864.7000112.4M391 Y418 I438 L439M391-L394 HydrophobicContact CE-CD2 3.93Å; M391-L394 WeakPolarHBondContact O-CB 3.35Å; M391-L394 PolarHBondContact O-N 2.78Å; M391-L394 VanDerWaalsContact O-N 3.07Å; L394-Y418 HydrophobicContact CD1-CD1 3.54Å; L394-Y418 HydrophobicContact CD1-CD2 3.76Å; L394-Y418 HydrophobicContact CD1-CE1 3.68Å; L394-Y418 HydrophobicContact CD1-CE2 3.87Å; L394-Y418 HydrophobicContact CD1-CG 3.6Å; L394-I438 HydrophobicContact CB-CG2 4.32Å; L394-L439 HydrophobicContact CD1-CD2 3.64Å; L394-L439 HydrophobicContact CD1-CG 4.38Å; L394-L439 HydrophobicContact CD2-CD2 4.01Å; L394-L439 HydrophobicContact CG-CD2 4.49Å
395F91.2Very high90Very high0 Ų057.2 Ų57.20%032%0.317CS..THydrogen-bonded Turntrans-95.82.1-179.8-73.6-86.5000113.9V387 M391 T392 L393 E397 S398 G399 H400 L406 V411 I414 L468V387-F395 HydrophobicContact CG1-CB 4.24Å; V387-F395 HydrophobicContact CG1-CD2 3.95Å; V387-F395 HydrophobicContact CG1-CG 4.17Å; V387-F395 HydrophobicContact CG2-CD1 4.23Å; V387-F395 HydrophobicContact CG2-CD2 4.3Å; V387-F395 HydrophobicContact CG2-CG 4.14Å; M391-F395 HydrophobicContact CB-CD2 4.11Å; M391-F395 HydrophobicContact CB-CE2 4.19Å; M391-F395 HydrophobicContact CE-CE2 4.28Å; M391-F395 WeakPolarHBondContact O-CD2 3.18Å; M391-F395 PolarHBondContact O-N 3.16Å; T392-F395 PolarHBondContact O-N 2.92Å; L393-F395 VanDerWaalsContact C-N 3.26Å; L393-F395 PolarHBondContact O-N 3.16Å; F395-E397 PolarHBondContact O-N 2.98Å; F395-S398 PolarHBondContact O-N 2.98Å; F395-S398 PolarHBondContact O-OG 3.07Å; F395-S398 VanDerWaalsContact O-OG 3.05Å; F395-G399 PolarHBondContact O-N 3.36Å; F395-H400 HydrophobicContact CB-CB 4.27Å; F395-H400 PolarHBondContact O-N 3.36Å; F395-L406 HydrophobicContact CD1-CD1 3.73Å; F395-L406 HydrophobicContact CE1-CD1 3.39Å; F395-L406 HydrophobicContact CZ-CD1 4.26Å; F395-V411 HydrophobicContact CZ-CG1 4.39Å; F395-I414 HydrophobicContact CD1-CD1 4.07Å; F395-I414 HydrophobicContact CD1-CG2 3.82Å; F395-I414 HydrophobicContact CE1-CB 4.29Å; F395-I414 HydrophobicContact CE1-CD1 3.89Å; F395-I414 HydrophobicContact CE1-CG2 3.84Å; F395-L468 HydrophobicContact CE2-CD2 3.9Å; F395-L468 HydrophobicContact CZ-CD1 4.22Å; F395-L468 HydrophobicContact CZ-CD2 4.13Å
396Q88.3Confident89.9Confident125 Ų12554.6 Ų54.658%0.58431%0.307SS*.THydrogen-bonded Turntrans-63.7-43.1-178.8-177.9172.6-3500112T392 L393 S398 G399T392-Q396 PolarHBondContact O-N 3.23Å; T392-Q396 VanDerWaalsContact O-N 3.08Å; L393-Q396 VanDerWaalsContact O-CB 3.31Å; L393-Q396 WeakPolarHBondContact O-CB 3.29Å; L393-Q396 PolarHBondContact O-N 3.32Å; Q396-S398 VanDerWaalsContact C-N 3.29Å; Q396-S398 PolarHBondContact O-N 3.01Å; Q396-G399 PolarHBondContact O-N 3.26Å; Q396-G399 VanDerWaalsContact O-N 3.07Å
397E84.1Confident89.9Confident118 Ų11857.9 Ų57.955%0.55132%0.322SS*.THydrogen-bonded Turntrans-65.7-26.7179.3-76.6-68136.600113.8F395 G399 K421F395-E397 PolarHBondContact O-N 2.98Å; E397-G399 VanDerWaalsContact C-N 3.34Å; E397-K421 IonicContact OE2-NZ 3.71Å; E397-K421 PolarHBondContact OE2-NZ 2.87Å
398S85.4Confident89.8Confident41 Ų4158.4 Ų58.429%0.28733%0.328SS..THydrogen-bonded Turntrans-90.42.9174.447.20000113.2F395 Q396 H400 I414F395-S398 PolarHBondContact O-N 2.98Å; F395-S398 PolarHBondContact O-OG 3.07Å; F395-S398 VanDerWaalsContact O-OG 3.05Å; Q396-S398 VanDerWaalsContact C-N 3.29Å; Q396-S398 PolarHBondContact O-N 3.01Å; S398-H400 PolarHBondContact O-N 3.05Å; S398-H400 PolarHBondContact OG-CD2 2.96Å; S398-I414 WeakPolarHBondContact OG-CG2 3.25Å
399G87.9Confident89.8Confident58 Ų5861.1 Ų61.160%0.59835%0.348SS*.THydrogen-bonded Turntrans74.12.5177.900000115F395 Q396 E397F395-G399 PolarHBondContact O-N 3.36Å; Q396-G399 PolarHBondContact O-N 3.26Å; Q396-G399 VanDerWaalsContact O-N 3.07Å; E397-G399 VanDerWaalsContact C-N 3.34Å
400H91Very high89.9Confident56 Ų5662 Ų6226%0.25934%0.341SS..  trans-83.1135.8179.9-58.1-60.8000111.1F395 S398F395-H400 HydrophobicContact CB-CB 4.27Å; F395-H400 PolarHBondContact O-N 3.36Å; S398-H400 PolarHBondContact O-N 3.05Å; S398-H400 PolarHBondContact OG-CD2 2.96Å
401K90.6Very high90.1Very high159 Ų15958.3 Ų58.369%0.69132%0.316SS*.  trans-107.1166.8-175.6-64.3179.9-177.8176.10110.2G403 S404K401-G403 PolarHBondContact O-N 3.3Å; K401-G403 VanDerWaalsContact O-N 3.1Å; K401-S404 PolarHBondContact N-OG 3.36Å; K401-S404 VanDerWaalsContact N-OG 3.13Å; K401-S404 VanDerWaalsContact O-CB 3.31Å; K401-S404 WeakPolarHBondContact O-CB 3.35Å; K401-S404 PolarHBondContact O-N 2.99Å; K401-S404 PolarHBondContact O-OG 3.01Å
402K91.3Very high90.4Very high150 Ų15063.8 Ų63.865%0.65234%0.336SS*.THydrogen-bonded Turntrans-47.3120.2168.3178.3-172.1176.1-178.50110.2A389A389-K402 HydrophobicContact CB-CD 3.93Å; A389-K402 HydrophobicContact CB-CG 4.44Å
403G88.1Confident90.5Very high30 Ų3067 Ų6731%0.30935%0.349SS..THydrogen-bonded Turntrans94.7-4.8-178.500000116V387 K401V387-G403 PolarHBondContact O-N 2.91Å; K401-G403 PolarHBondContact O-N 3.3Å; K401-G403 VanDerWaalsContact O-N 3.1Å
404S91.7Very high90.7Very high37 Ų3763 Ų6326%0.25933%0.329SS..  trans-61.4141.7166-67.90000110.5C386 V387 K401C386-S404 WeakPolarHBondContact CA-O 3.44Å; V387-S404 PolarHBondContact N-O 3.49Å; K401-S404 PolarHBondContact N-OG 3.36Å; K401-S404 VanDerWaalsContact N-OG 3.13Å; K401-S404 VanDerWaalsContact O-CB 3.31Å; K401-S404 WeakPolarHBondContact O-CB 3.35Å; K401-S404 PolarHBondContact O-N 2.99Å; K401-S404 PolarHBondContact O-OG 3.01Å
405F92.8Very high90.8Very high78 Ų7863 Ų6334%0.34233%0.328SS..EExtended strand (participates in β ladder)trans-103.4138.1174.3-60.3-85.2000109.7L384 Y385 C386 A471 V483 K485L384-F405 HydrophobicContact CD1-CB 4.2Å; Y385-F405 CarbonylContact O-C 3.57Å; Y385-F405 WeakPolarHBondContact O-CA 3.46Å; C386-F405 HydrophobicContact CB-CD1 3.8Å; C386-F405 HydrophobicContact CB-CE1 3.85Å; F405-A471 HydrophobicContact CD1-CB 3.78Å; F405-A471 HydrophobicContact CE1-CB 3.82Å; F405-V483 HydrophobicContact CD1-CG1 3.69Å; F405-V483 HydrophobicContact CD2-CG1 4.01Å; F405-V483 HydrophobicContact CE1-CG1 3.54Å; F405-V483 HydrophobicContact CE2-CG1 3.88Å; F405-V483 HydrophobicContact CG-CG1 3.92Å; F405-V483 HydrophobicContact CZ-CG1 3.64Å; F405-K485 HydrophobicContact CE1-CG 4.12Å; F405-K485 HydrophobicContact CZ-CG 4.29Å
406L93.1Very high90.9Very high2 Ų265.4 Ų65.41%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-136.7147.4-175-59.1174.2000111L384 Y385 V387 F395 E410 V411 I414L384-L406 CarbonylContact C-O 3.5Å; L384-L406 WeakPolarHBondContact CA-O 3.35Å; Y385-L406 PolarHBondContact N-O 3.35Å; Y385-L406 PolarHBondContact O-N 3.12Å; V387-L406 HydrophobicContact CG2-CD1 3.79Å; V387-L406 HydrophobicContact CG2-CG 4.42Å; F395-L406 HydrophobicContact CD1-CD1 3.73Å; F395-L406 HydrophobicContact CE1-CD1 3.39Å; F395-L406 HydrophobicContact CZ-CD1 4.26Å; L406-E410 VanDerWaalsContact CA-OE2 3.3Å; L406-E410 WeakPolarHBondContact CA-OE2 3.4Å; L406-V411 HydrophobicContact CB-CG2 3.76Å; L406-V411 HydrophobicContact CD1-CG2 4.04Å; L406-I414 HydrophobicContact CD1-CD1 3.96Å; L406-I414 HydrophobicContact CD2-CD1 4.49Å
407E93.4Very high91.1Very high71 Ų7163.6 Ų63.633%0.33234%0.335SS..EExtended strand (participates in β ladder)trans-75.1155.1167.8-68.4-164.3176.100111.4K382 L384 S409 E410 V411K382-E407 IonicContact NZ-OE1 3.59Å; L384-E407 HydrophobicContact CD2-CG 3.75Å; E407-S409 VanDerWaalsContact CB-OG 3.32Å; E407-S409 WeakPolarHBondContact CB-OG 3.09Å; E407-S409 PolarHBondContact O-N 3.43Å; E407-S409 VanDerWaalsContact O-N 3.16Å; E407-S409 PolarHBondContact OE2-OG 3.34Å; E407-E410 HydrophobicContact CB-CG 4.17Å; E407-E410 PolarHBondContact N-OE2 3.35Å; E407-E410 PolarHBondContact O-N 3.26Å; E407-E410 VanDerWaalsContact O-N 3.16Å; E407-V411 WeakPolarHBondContact O-CG2 3.34Å; E407-V411 PolarHBondContact O-N 3.26Å
408G90.9Very high91.4Very high13 Ų1358.7 Ų58.713%0.13431%0.312CS..Hα-helixtrans-65.3-16177.500000114.3R412G408-R412 WeakPolarHBondContact O-CD 3.48Å; G408-R412 VanDerWaalsContact O-CG 3.28Å; G408-R412 WeakPolarHBondContact O-CG 3.37Å; G408-R412 PolarHBondContact O-NH1 2.69Å
409S91.9Very high91.7Very high68 Ų6856.8 Ų56.848%0.47630%0.298SS..Hα-helixtrans-73-52.4169.8430000110.8E407 R412 M413E407-S409 VanDerWaalsContact CB-OG 3.32Å; E407-S409 WeakPolarHBondContact CB-OG 3.09Å; E407-S409 PolarHBondContact O-N 3.43Å; E407-S409 VanDerWaalsContact O-N 3.16Å; E407-S409 PolarHBondContact OE2-OG 3.34Å; S409-R412 PolarHBondContact O-N 3.44Å; S409-M413 PolarHBondContact O-N 2.83Å
410E92.6Very high91.8Very high78 Ų7860 Ų6036%0.36430%0.296SS..Hα-helixtrans-59.6-47.3178.7-61174.5146.700111.6L406 E407 R412 M413 I414L406-E410 VanDerWaalsContact CA-OE2 3.3Å; L406-E410 WeakPolarHBondContact CA-OE2 3.4Å; E407-E410 HydrophobicContact CB-CG 4.17Å; E407-E410 PolarHBondContact N-OE2 3.35Å; E407-E410 PolarHBondContact O-N 3.26Å; E407-E410 VanDerWaalsContact O-N 3.16Å; E410-R412 VanDerWaalsContact C-N 3.3Å; E410-R412 PolarHBondContact O-N 2.7Å; E410-M413 WeakPolarHBondContact O-CB 3.1Å; E410-M413 PolarHBondContact O-N 3.35Å; E410-M413 VanDerWaalsContact O-N 3.12Å; E410-I414 WeakPolarHBondContact O-CD1 3.38Å; E410-I414 VanDerWaalsContact O-CG1 3.26Å; E410-I414 WeakPolarHBondContact O-CG1 3.13Å; E410-I414 PolarHBondContact O-N 2.97Å
411V92.2Very high91.9Very high0 Ų063.9 Ų63.90%031%0.312CS..Hα-helixtrans-54.8-45.8176.5170.80000111.3F395 L406 E407 I414 I415 L465 L468F395-V411 HydrophobicContact CZ-CG1 4.39Å; L406-V411 HydrophobicContact CB-CG2 3.76Å; L406-V411 HydrophobicContact CD1-CG2 4.04Å; E407-V411 WeakPolarHBondContact O-CG2 3.34Å; E407-V411 PolarHBondContact O-N 3.26Å; V411-I414 PolarHBondContact O-N 3.34Å; V411-I415 HydrophobicContact CG1-CD1 3.63Å; V411-I415 VanDerWaalsContact O-CD1 3.31Å; V411-I415 WeakPolarHBondContact O-CD1 3.26Å; V411-I415 VanDerWaalsContact O-CG1 3.26Å; V411-I415 WeakPolarHBondContact O-CG1 3.44Å; V411-I415 PolarHBondContact O-N 2.83Å; V411-L465 HydrophobicContact CB-CD2 4.01Å; V411-L465 HydrophobicContact CG1-CD2 3.67Å; V411-L465 HydrophobicContact CG1-CG 4.26Å; V411-L465 HydrophobicContact CG2-CD2 4.45Å; V411-L468 HydrophobicContact CB-CD1 4.29Å; V411-L468 HydrophobicContact CG1-CD1 3.63Å; V411-L468 HydrophobicContact CG2-CD1 3.61Å
412R93.3Very high91.9Very high114 Ų11459.9 Ų59.943%0.4330%0.298SS..Hα-helixtrans-63.2-44.7177.8-72.2175.7175.695.9-6.7111.5G408 S409 E410 I414 I415 I416 L461G408-R412 WeakPolarHBondContact O-CD 3.48Å; G408-R412 VanDerWaalsContact O-CG 3.28Å; G408-R412 WeakPolarHBondContact O-CG 3.37Å; G408-R412 PolarHBondContact O-NH1 2.69Å; S409-R412 PolarHBondContact O-N 3.44Å; E410-R412 VanDerWaalsContact C-N 3.3Å; E410-R412 PolarHBondContact O-N 2.7Å; R412-I414 PolarHBondContact O-N 2.94Å; R412-I415 PolarHBondContact O-N 3.4Å; R412-I416 WeakPolarHBondContact O-CB 3.5Å; R412-I416 WeakPolarHBondContact O-CD1 3.38Å; R412-I416 WeakPolarHBondContact O-CG1 3.37Å; R412-I416 PolarHBondContact O-N 3.1Å; R412-L461 HydrophobicContact CB-CD2 4.25Å; R412-L461 HydrophobicContact CG-CD1 4.14Å; R412-L461 HydrophobicContact CG-CD2 4.08Å
413M93.1Very high91.8Very high111 Ų11159.6 Ų59.655%0.54730%0.304SS..Hα-helixtrans-60.9-43.9177.6-176.7175.867.500111.9S409 E410 I416 N417S409-M413 PolarHBondContact O-N 2.83Å; E410-M413 WeakPolarHBondContact O-CB 3.1Å; E410-M413 PolarHBondContact O-N 3.35Å; E410-M413 VanDerWaalsContact O-N 3.12Å; M413-I416 PolarHBondContact O-N 2.85Å; M413-N417 WeakPolarHBondContact O-CB 3.47Å; M413-N417 PolarHBondContact O-N 2.94Å; M413-N417 PolarHBondContact O-ND2 3Å
414I93.1Very high91.9Very high14 Ų1459.1 Ų59.17%0.07229%0.294CS..Hα-helixtrans-61.6-47.6178.6-68.1159.8000110.8F395 S398 L406 E410 V411 R412 N417 Y418F395-I414 HydrophobicContact CD1-CD1 4.07Å; F395-I414 HydrophobicContact CD1-CG2 3.82Å; F395-I414 HydrophobicContact CE1-CB 4.29Å; F395-I414 HydrophobicContact CE1-CD1 3.89Å; F395-I414 HydrophobicContact CE1-CG2 3.84Å; S398-I414 WeakPolarHBondContact OG-CG2 3.25Å; L406-I414 HydrophobicContact CD1-CD1 3.96Å; L406-I414 HydrophobicContact CD2-CD1 4.49Å; E410-I414 WeakPolarHBondContact O-CD1 3.38Å; E410-I414 VanDerWaalsContact O-CG1 3.26Å; E410-I414 WeakPolarHBondContact O-CG1 3.13Å; E410-I414 PolarHBondContact O-N 2.97Å; V411-I414 PolarHBondContact O-N 3.34Å; R412-I414 PolarHBondContact O-N 2.94Å; I414-N417 PolarHBondContact O-N 3.2Å; I414-Y418 WeakPolarHBondContact O-CB 3.31Å; I414-Y418 PolarHBondContact O-N 3.19Å
415I91.8Very high91.9Very high0 Ų059.6 Ų59.60%030%0.295CS..Hα-helixtrans-65.2-41179.5-62.8156.8000111.4V411 R412 Y418 A419 L460 L461 C464V411-I415 HydrophobicContact CG1-CD1 3.63Å; V411-I415 VanDerWaalsContact O-CD1 3.31Å; V411-I415 WeakPolarHBondContact O-CD1 3.26Å; V411-I415 VanDerWaalsContact O-CG1 3.26Å; V411-I415 WeakPolarHBondContact O-CG1 3.44Å; V411-I415 PolarHBondContact O-N 2.83Å; R412-I415 PolarHBondContact O-N 3.4Å; I415-Y418 PolarHBondContact O-N 3.02Å; I415-A419 PolarHBondContact O-N 2.89Å; I415-L460 HydrophobicContact CG2-CD2 4.06Å; I415-L460 HydrophobicContact CG2-CG 4.12Å; I415-L461 HydrophobicContact CB-CD2 3.85Å; I415-L461 HydrophobicContact CD1-CD2 3.8Å; I415-L461 HydrophobicContact CG1-CD2 4.47Å; I415-L461 HydrophobicContact CG2-CD2 3.82Å; I415-C464 HydrophobicContact CD1-CB 3.36Å; I415-C464 HydrophobicContact CG1-CB 4.42Å
416I91.6Very high91.8Very high50 Ų5056.1 Ų56.126%0.25628%0.28SS..Hα-helixtrans-63.5-42.8176.3-69.8164.5000110.8R412 M413 K420 W457R412-I416 WeakPolarHBondContact O-CB 3.5Å; R412-I416 WeakPolarHBondContact O-CD1 3.38Å; R412-I416 WeakPolarHBondContact O-CG1 3.37Å; R412-I416 PolarHBondContact O-N 3.1Å; M413-I416 PolarHBondContact O-N 2.85Å; I416-K420 HydrophobicContact CG2-CD 4.06Å; I416-K420 WeakPolarHBondContact O-CB 3.26Å; I416-K420 VanDerWaalsContact O-CG 3.3Å; I416-K420 WeakPolarHBondContact O-CG 3.45Å; I416-K420 PolarHBondContact O-N 2.99Å; I416-W457 HydrophobicContact CB-CH2 4.36Å; I416-W457 HydrophobicContact CB-CZ3 4.22Å; I416-W457 HydrophobicContact CG1-CE3 4.13Å; I416-W457 HydrophobicContact CG1-CH2 4.15Å; I416-W457 HydrophobicContact CG1-CZ3 3.65Å; I416-W457 HydrophobicContact CG2-CH2 4.39Å
417N92.8Very high91.6Very high88 Ų8860.2 Ų60.247%0.47131%0.314SS..Hα-helixtrans-67.6-39.6177.7-70.9-11.2000111.6M413 I414 K420 K421M413-N417 WeakPolarHBondContact O-CB 3.47Å; M413-N417 PolarHBondContact O-N 2.94Å; M413-N417 PolarHBondContact O-ND2 3Å; I414-N417 PolarHBondContact O-N 3.2Å; N417-K420 PolarHBondContact O-N 3.36Å; N417-K421 VanDerWaalsContact O-CB 3.24Å; N417-K421 WeakPolarHBondContact O-CB 3.32Å; N417-K421 PolarHBondContact O-N 3.01Å
418Y91.8Very high91.3Very high15 Ų1564.1 Ų64.16%0.05934%0.337CS..Hα-helixtrans-58.9-52.1174.4-178.1-88.8000112L394 I414 I415 K420 K421 N422 L424 D436 I438 L439L394-Y418 HydrophobicContact CD1-CD1 3.54Å; L394-Y418 HydrophobicContact CD1-CD2 3.76Å; L394-Y418 HydrophobicContact CD1-CE1 3.68Å; L394-Y418 HydrophobicContact CD1-CE2 3.87Å; L394-Y418 HydrophobicContact CD1-CG 3.6Å; I414-Y418 WeakPolarHBondContact O-CB 3.31Å; I414-Y418 PolarHBondContact O-N 3.19Å; I415-Y418 PolarHBondContact O-N 3.02Å; Y418-K420 VanDerWaalsContact C-N 3.32Å; Y418-K420 PolarHBondContact O-N 3.19Å; Y418-K421 PolarHBondContact O-N 3.45Å; Y418-N422 WeakPolarHBondContact CE2-ND2 3.27Å; Y418-N422 PolarHBondContact O-N 3.23Å; Y418-N422 VanDerWaalsContact O-N 3.08Å; Y418-N422 PolarHBondContact O-ND2 3.27Å; Y418-L424 HydrophobicContact CD1-CD1 4.27Å; Y418-L424 HydrophobicContact CE1-CD1 3.89Å; Y418-D436 PolarHBondContact OH-OD2 3.39Å; Y418-I438 WeakPolarHBondContact OH-CD1 3.49Å; Y418-L439 HydrophobicContact CE1-CD1 4.27Å; Y418-L439 HydrophobicContact CE1-CG 4.15Å
419A91.2Very high91.2Very high0 Ų067.1 Ų67.10%035%0.35CS..Hα-helixtrans-68.9-28.6-178.300000113.2I415 L424 V433 W457I415-A419 PolarHBondContact O-N 2.89Å; A419-L424 HydrophobicContact CB-CB 4.24Å; A419-L424 PolarHBondContact O-N 3.43Å; A419-V433 HydrophobicContact CB-CG1 3.92Å; A419-W457 HydrophobicContact CB-CH2 3.68Å; A419-W457 HydrophobicContact CB-CZ3 4.12Å
420K90.4Very high91Very high127 Ų12772.1 Ų72.155%0.55236%0.363SS*.Hα-helixtrans-73.3-40170.5-75175.8179.5177.40113I416 N417 Y418 N422 D423 V425I416-K420 HydrophobicContact CG2-CD 4.06Å; I416-K420 WeakPolarHBondContact O-CB 3.26Å; I416-K420 VanDerWaalsContact O-CG 3.3Å; I416-K420 WeakPolarHBondContact O-CG 3.45Å; I416-K420 PolarHBondContact O-N 2.99Å; N417-K420 PolarHBondContact O-N 3.36Å; Y418-K420 VanDerWaalsContact C-N 3.32Å; Y418-K420 PolarHBondContact O-N 3.19Å; K420-N422 VanDerWaalsContact C-N 3.34Å; K420-D423 PolarHBondContact O-N 2.88Å; K420-V425 HydrophobicContact CG-CG2 4.49Å
421K92.1Very high90.9Very high137 Ų13772.7 Ų72.760%0.59637%0.369SS*.Hα-helixtrans-71-30.5-177.5-175.9173.7179.91790112.7E397 N417 Y418E397-K421 IonicContact OE2-NZ 3.71Å; E397-K421 PolarHBondContact OE2-NZ 2.87Å; N417-K421 VanDerWaalsContact O-CB 3.24Å; N417-K421 WeakPolarHBondContact O-CB 3.32Å; N417-K421 PolarHBondContact O-N 3.01Å; Y418-K421 PolarHBondContact O-N 3.45Å
422N90.3Very high90.9Very high74 Ų7474.8 Ų74.840%0.39638%0.38SS..THydrogen-bonded Turntrans-9714.9178.7-65-61.9000113.2Y418 K420 L424Y418-N422 WeakPolarHBondContact CE2-ND2 3.27Å; Y418-N422 PolarHBondContact O-N 3.23Å; Y418-N422 VanDerWaalsContact O-N 3.08Å; Y418-N422 PolarHBondContact O-ND2 3.27Å; K420-N422 VanDerWaalsContact C-N 3.34Å; N422-L424 HydrophobicContact CB-CD1 4.06Å; N422-L424 HydrophobicContact CB-CD2 4.28Å; N422-L424 HydrophobicContact CB-CG 3.78Å; N422-L424 WeakPolarHBondContact O-CD2 3.42Å; N422-L424 WeakPolarHBondContact O-CG 3.5Å; N422-L424 PolarHBondContact O-N 3Å; N422-L424 VanDerWaalsContact O-N 3.09Å
423D90.4Very high90.9Very high144 Ų14469.4 Ų69.477%0.7736%0.36SS*.THydrogen-bonded Turntrans49.335.7-179.4-67.8-50.7000114.7K420 V425K420-D423 PolarHBondContact O-N 2.88Å; D423-V425 VanDerWaalsContact C-N 3.33Å
424L90.2Very high90.8Very high21 Ų2168.4 Ų68.411%0.1135%0.352CS..  trans-82.7-9.8-176.5-59.4-176.9000113.4Y418 A419 N422 V433 K434 D436 L439Y418-L424 HydrophobicContact CD1-CD1 4.27Å; Y418-L424 HydrophobicContact CE1-CD1 3.89Å; A419-L424 HydrophobicContact CB-CB 4.24Å; A419-L424 PolarHBondContact O-N 3.43Å; N422-L424 HydrophobicContact CB-CD1 4.06Å; N422-L424 HydrophobicContact CB-CD2 4.28Å; N422-L424 HydrophobicContact CB-CG 3.78Å; N422-L424 WeakPolarHBondContact O-CD2 3.42Å; N422-L424 WeakPolarHBondContact O-CG 3.5Å; N422-L424 PolarHBondContact O-N 3Å; N422-L424 VanDerWaalsContact O-N 3.09Å; L424-V433 HydrophobicContact CB-CG1 3.88Å; L424-V433 CarbonylContact O-C 3.57Å; L424-V433 WeakPolarHBondContact O-CA 3.29Å; L424-K434 PolarHBondContact O-N 3.08Å; L424-D436 HydrophobicContact CD1-CB 4.03Å; L424-D436 HydrophobicContact CD2-CB 3.98Å; L424-L439 HydrophobicContact CD1-CD1 3.9Å
425V91.3Very high90.6Very high47 Ų4768.5 Ų68.529%0.28535%0.353SS..BIsolated β-bridgetrans-70.1131.2177.2-173.40000109.5K420 D423 W457K420-V425 HydrophobicContact CG-CG2 4.49Å; D423-V425 VanDerWaalsContact C-N 3.33Å; V425-W457 HydrophobicContact CG2-CH2 4.49Å; V425-W457 HydrophobicContact CG2-CZ2 3.86Å
426D90.3Very high90.5Very high4 Ų469.7 Ų69.72%0.02136%0.359CS..  trans-70.7134.7-177.8-165.5-85.9000112D428 N429 L432 K434 K454D426-D428 PolarHBondContact OD1-N 3.14Å; D426-D428 VanDerWaalsContact OD1-N 3.08Å; D426-N429 CarbonylContact O-C 3.55Å; D426-N429 PolarHBondContact OD1-N 3.11Å; D426-L432 HydrophobicContact CB-CB 4.01Å; D426-L432 WeakPolarHBondContact CB-O 3.42Å; D426-L432 PolarHBondContact N-O 3.21Å; D426-K434 WeakPolarHBondContact OD2-CE 3.3Å; D426-K434 IonicContact OD2-NZ 3.17Å; D426-K454 IonicContact OD1-NZ 2.94Å; D426-K454 WeakPolarHBondContact OD2-CE 3.13Å; D426-K454 IonicContact OD2-NZ 3.64Å; D426-K454 PolarHBondContact OD2-NZ 3.32Å
427A88.1Confident90.4Very high88 Ų8872 Ų7273%0.72738%0.378SS*.SBendtrans-70.2-35.3-174.800000112.6
428D87.6Confident90.2Very high153 Ų15370.3 Ų70.382%0.81837%0.368SS*.SBendtrans-82.8-32.4-178.4-53.5-51.2000111D426D426-D428 PolarHBondContact OD1-N 3.14Å; D426-D428 VanDerWaalsContact OD1-N 3.08Å
429N89.4Confident90Very high76 Ų7669.6 Ų69.641%0.40637%0.366SS..  trans-140.499.9-179.9-173.2-12.2000112.8D426 N431 L432D426-N429 CarbonylContact O-C 3.55Å; D426-N429 PolarHBondContact OD1-N 3.11Å; N429-N431 PolarHBondContact O-N 3.45Å; N429-N431 VanDerWaalsContact OD1-CB 3.29Å; N429-N431 WeakPolarHBondContact OD1-CB 3.07Å; N429-N431 PolarHBondContact OD1-N 3.09Å; N429-L432 HydrophobicContact CB-CD1 4.19Å; N429-L432 HydrophobicContact CB-CG 4.28Å; N429-L432 PolarHBondContact O-N 3.27Å
430K87.6Confident89.9Confident173 Ų17370.3 Ų70.375%0.75237%0.37SS*.THydrogen-bonded Turntrans-58-13.7179.2-60.7-175.6-179.7-177.90115.4L432 W457K430-L432 VanDerWaalsContact C-N 3.34Å; K430-W457 PolarHBondContact O-NE1 2.79Å
431N91.1Very high89.7Confident91 Ų9170.2 Ų70.249%0.48738%0.376SS..THydrogen-bonded Turntrans-79.4-16.7173.8-166.830.4000113N429 P456 W457N429-N431 PolarHBondContact O-N 3.45Å; N429-N431 VanDerWaalsContact OD1-CB 3.29Å; N429-N431 WeakPolarHBondContact OD1-CB 3.07Å; N429-N431 PolarHBondContact OD1-N 3.09Å; N431-P456 VanDerWaalsContact O-CA 3.3Å; N431-P456 WeakPolarHBondContact O-CA 3.28Å; N431-W457 VanDerWaalsContact O-CD1 3.26Å; N431-W457 PolarHBondContact O-N 3.08Å; N431-W457 VanDerWaalsContact O-N 3.13Å
432L91.7Very high89.4Confident44 Ų4464.1 Ų64.123%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-101.2142.2-179.4-60.6179.9000111.3D426 N429 K430 K454 P456D426-L432 HydrophobicContact CB-CB 4.01Å; D426-L432 WeakPolarHBondContact CB-O 3.42Å; D426-L432 PolarHBondContact N-O 3.21Å; N429-L432 HydrophobicContact CB-CD1 4.19Å; N429-L432 HydrophobicContact CB-CG 4.28Å; N429-L432 PolarHBondContact O-N 3.27Å; K430-L432 VanDerWaalsContact C-N 3.34Å; L432-K454 HydrophobicContact CD1-CD 4.32Å; L432-P456 HydrophobicContact CD2-CB 4.17Å
433V92.1Very high89.2Confident0 Ų060.6 Ų60.60%033%0.332CS..EExtended strand (participates in β ladder)trans-118.6126.1174-1760000108A419 L424 K454 L455 W457 L460A419-V433 HydrophobicContact CB-CG1 3.92Å; L424-V433 HydrophobicContact CB-CG1 3.88Å; L424-V433 CarbonylContact O-C 3.57Å; L424-V433 WeakPolarHBondContact O-CA 3.29Å; V433-K454 CarbonylContact O-C 3.5Å; V433-K454 VanDerWaalsContact O-CA 3.28Å; V433-K454 WeakPolarHBondContact O-CA 3.14Å; V433-L455 PolarHBondContact N-O 2.88Å; V433-L455 PolarHBondContact O-N 3.45Å; V433-W457 HydrophobicContact CG2-CD2 3.62Å; V433-W457 VanDerWaalsContact CG2-CE2 3.43Å; V433-W457 HydrophobicContact CG2-CE3 3.9Å; V433-W457 HydrophobicContact CG2-CG 4.24Å; V433-W457 HydrophobicContact CG2-CH2 3.94Å; V433-W457 HydrophobicContact CG2-CZ2 3.64Å; V433-W457 HydrophobicContact CG2-CZ3 4.04Å; V433-L460 HydrophobicContact CB-CD2 3.95Å; V433-L460 HydrophobicContact CG1-CD2 3.93Å; V433-L460 HydrophobicContact CG2-CD2 3.93Å
434K90.9Very high89.1Confident90 Ų9054.2 Ų54.239%0.39130%0.297SS..EExtended strand (participates in β ladder)trans-71.9133.1170.8-63.8173.3-176.4170.70108.3L424 D426 K454L424-K434 PolarHBondContact O-N 3.08Å; D426-K434 WeakPolarHBondContact OD2-CE 3.3Å; D426-K434 IonicContact OD2-NZ 3.17Å; K434-K454 HydrophobicContact CG-CG 4.26Å
435L89.2Confident88.8Confident16 Ų1657.8 Ų57.88%0.08431%0.313CS..PPolyproline II helixtrans-85.6127.8179.9-55.9-175.7000110.1L439 C440 I443 L444 V452 M453 L455 L460L435-L439 HydrophobicContact CB-CB 4.46Å; L435-L439 HydrophobicContact CD2-CB 4.17Å; L435-L439 HydrophobicContact CD2-CD1 4.13Å; L435-C440 WeakPolarHBondContact CB-SG 3.4Å; L435-I443 HydrophobicContact CD1-CD1 4.29Å; L435-I443 HydrophobicContact CD2-CD1 3.97Å; L435-L444 HydrophobicContact CD1-CD1 3.9Å; L435-L444 HydrophobicContact CD1-CD2 3.81Å; L435-L444 HydrophobicContact CD1-CG 4.01Å; L435-V452 HydrophobicContact CD1-CG1 4.43Å; L435-M453 PolarHBondContact N-O 3.46Å; L435-L455 HydrophobicContact CD1-CD1 3.9Å; L435-L455 HydrophobicContact CD1-CG 4.08Å; L435-L455 HydrophobicContact CD2-CB 4.41Å; L435-L455 HydrophobicContact CD2-CD1 4.29Å; L435-L455 HydrophobicContact CD2-CG 4.5Å; L435-L460 HydrophobicContact CD2-CD1 4.41Å
436D90.1Very high88.4Confident25 Ų2565.2 Ų65.213%0.13434%0.342CS..PPolyproline II helixtrans-86.7169.7169.471.9-24.3000110.1Y418 L424 I438 L439 C440Y418-D436 PolarHBondContact OH-OD2 3.39Å; L424-D436 HydrophobicContact CD1-CB 4.03Å; L424-D436 HydrophobicContact CD2-CB 3.98Å; D436-I438 PolarHBondContact O-N 3.41Å; D436-L439 PolarHBondContact O-N 3.05Å; D436-L439 WeakPolarHBondContact OD1-CB 3.41Å; D436-L439 WeakPolarHBondContact OD1-CD1 3.47Å; D436-L439 WeakPolarHBondContact OD1-CG 3.49Å; D436-L439 PolarHBondContact OD1-N 3Å; D436-C440 WeakPolarHBondContact O-CB 3.49Å; D436-C440 PolarHBondContact O-N 2.93Å; D436-C440 PolarHBondContact O-SG 3.42Å; D436-C440 VanDerWaalsContact O-SG 3.36Å
437P88.9Confident88Confident100 Ų10071 Ų7165%0.64937%0.373SS*.Hα-helixtrans-56-35.3-179.3-27.436.4000113.4C440 D441P437-C440 PolarHBondContact O-N 2.9Å; P437-D441 WeakPolarHBondContact O-CB 3.25Å; P437-D441 PolarHBondContact O-N 3.06Å
438I89.5Confident87.8Confident52 Ų5268.7 Ų68.727%0.26735%0.347SS..Hα-helixtrans-67.8-47.3-179.8-62.5176000110.9L393 L394 Y418 D436 C442L393-I438 HydrophobicContact CB-CG2 3.9Å; L394-I438 HydrophobicContact CB-CG2 4.32Å; Y418-I438 WeakPolarHBondContact OH-CD1 3.49Å; D436-I438 PolarHBondContact O-N 3.41Å; I438-C442 VanDerWaalsContact O-CB 3.31Å; I438-C442 WeakPolarHBondContact O-CB 3.34Å; I438-C442 PolarHBondContact O-N 3.4Å; I438-C442 VanDerWaalsContact O-N 3.15Å; I438-C442 PolarHBondContact O-SG 2.65Å
439L88.4Confident87.2Confident0 Ų063.5 Ų63.50%032%0.318CS..Hα-helixtrans-63.7-45.8174.3-72.8172.9000111L394 Y418 L424 L435 D436 D441 C442 I443 L460L394-L439 HydrophobicContact CD1-CD2 3.64Å; L394-L439 HydrophobicContact CD1-CG 4.38Å; L394-L439 HydrophobicContact CD2-CD2 4.01Å; L394-L439 HydrophobicContact CG-CD2 4.49Å; Y418-L439 HydrophobicContact CE1-CD1 4.27Å; Y418-L439 HydrophobicContact CE1-CG 4.15Å; L424-L439 HydrophobicContact CD1-CD1 3.9Å; L435-L439 HydrophobicContact CB-CB 4.46Å; L435-L439 HydrophobicContact CD2-CB 4.17Å; L435-L439 HydrophobicContact CD2-CD1 4.13Å; D436-L439 PolarHBondContact O-N 3.05Å; D436-L439 WeakPolarHBondContact OD1-CB 3.41Å; D436-L439 WeakPolarHBondContact OD1-CD1 3.47Å; D436-L439 WeakPolarHBondContact OD1-CG 3.49Å; D436-L439 PolarHBondContact OD1-N 3Å; L439-D441 PolarHBondContact O-N 2.86Å; L439-C442 PolarHBondContact O-N 3.4Å; L439-C442 VanDerWaalsContact O-N 3.15Å; L439-I443 HydrophobicContact CB-CD1 4.25Å; L439-I443 HydrophobicContact CD2-CG2 4.5Å; L439-I443 VanDerWaalsContact O-CG1 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.48Å; L439-I443 PolarHBondContact O-N 3.06Å; L439-L460 HydrophobicContact CD1-CD1 4.44Å; L439-L460 HydrophobicContact CD2-CD1 4.12Å
440C88.1Confident86.6Confident15 Ų1568.1 Ų68.110%0.10134%0.336CS..Hα-helixtrans-52.6-54.1176.9-73.40000111.9L435 D436 P437 C442 L444 Q449L435-C440 WeakPolarHBondContact CB-SG 3.4Å; D436-C440 WeakPolarHBondContact O-CB 3.49Å; D436-C440 PolarHBondContact O-N 2.93Å; D436-C440 PolarHBondContact O-SG 3.42Å; D436-C440 VanDerWaalsContact O-SG 3.36Å; P437-C440 PolarHBondContact O-N 2.9Å; C440-C442 VanDerWaalsContact C-N 3.25Å; C440-C442 PolarHBondContact O-N 2.8Å; C440-L444 HydrophobicContact CB-CD1 4.08Å; C440-L444 WeakPolarHBondContact O-CB 3.35Å; C440-L444 PolarHBondContact O-N 2.98Å; C440-Q449 PolarHBondContact O-NE2 3.46Å; C440-Q449 PolarHBondContact O-OE1 3Å
441D87.2Confident86.4Confident124 Ų12465 Ų6566%0.66333%0.333SS*.Hα-helixtrans-65.3-26.1-179.1-72.2-9.7000113.5P437 L439 Q449P437-D441 WeakPolarHBondContact O-CB 3.25Å; P437-D441 PolarHBondContact O-N 3.06Å; L439-D441 PolarHBondContact O-N 2.86Å; D441-Q449 PolarHBondContact OD1-NE2 3.49Å
442C84.9Confident86.1Confident9 Ų962.1 Ų62.16%0.06132%0.318CS..Hα-helixtrans-87-40.1-178.4-70.60000114.5S390 M391 I438 L439 C440S390-C442 PolarHBondContact O-SG 2.58Å; S390-C442 VanDerWaalsContact O-SG 3.4Å; M391-C442 HydrophobicContact CG-CB 4.21Å; I438-C442 VanDerWaalsContact O-CB 3.31Å; I438-C442 WeakPolarHBondContact O-CB 3.34Å; I438-C442 PolarHBondContact O-N 3.4Å; I438-C442 VanDerWaalsContact O-N 3.15Å; I438-C442 PolarHBondContact O-SG 2.65Å; L439-C442 PolarHBondContact O-N 3.4Å; L439-C442 VanDerWaalsContact O-N 3.15Å; C440-C442 VanDerWaalsContact C-N 3.25Å; C440-C442 PolarHBondContact O-N 2.8Å
443I86.3Confident85.7Confident1 Ų165.8 Ų65.81%0.00534%0.335CS..Hα-helixtrans-116-24.8-162.583.4-170.4000114.6L435 L439 L455 L460 R463 K467L435-I443 HydrophobicContact CD1-CD1 4.29Å; L435-I443 HydrophobicContact CD2-CD1 3.97Å; L439-I443 HydrophobicContact CB-CD1 4.25Å; L439-I443 HydrophobicContact CD2-CG2 4.5Å; L439-I443 VanDerWaalsContact O-CG1 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.48Å; L439-I443 PolarHBondContact O-N 3.06Å; I443-L455 HydrophobicContact CD1-CD1 3.96Å; I443-L460 HydrophobicContact CD1-CD1 3.42Å; I443-L460 VanDerWaalsContact CD1-CD1 3.42Å; I443-R463 HydrophobicContact CB-CB 4.43Å; I443-K467 WeakPolarHBondContact O-CE 3.42Å
444L87.9Confident85.5Confident10 Ų1070.2 Ų70.25%0.05236%0.355CS..  trans-81.7157.6-178-65.1-177.7000111L435 C440 E448 V452 L455L435-L444 HydrophobicContact CD1-CD1 3.9Å; L435-L444 HydrophobicContact CD1-CD2 3.81Å; L435-L444 HydrophobicContact CD1-CG 4.01Å; C440-L444 HydrophobicContact CB-CD1 4.08Å; C440-L444 WeakPolarHBondContact O-CB 3.35Å; C440-L444 PolarHBondContact O-N 2.98Å; L444-E448 HydrophobicContact CB-CB 4.24Å; L444-E448 HydrophobicContact CD2-CB 4.18Å; L444-V452 HydrophobicContact CD2-CB 4.2Å; L444-V452 HydrophobicContact CD2-CG1 4.24Å; L444-L455 HydrophobicContact CD2-CD1 4.34Å
445E84.8Confident85.5Confident96 Ų9666.6 Ų66.645%0.44934%0.34SS..  trans-90159.8167-65.1-57.5151.900110.7N447 E448 Q449 K467E445-N447 WeakPolarHBondContact CB-OD1 3.18Å; E445-N447 PolarHBondContact O-N 3.04Å; E445-E448 PolarHBondContact N-OE2 3.46Å; E445-E448 PolarHBondContact O-N 3.23Å; E445-Q449 PolarHBondContact O-N 2.89Å; E445-K467 IonicContact OE1-NZ 3.7Å; E445-K467 PolarHBondContact OE1-NZ 3.39Å; E445-K467 IonicContact OE2-NZ 2.76Å
446K82.3Confident85.7Confident202 Ų20267.8 Ų67.888%0.87835%0.348SS*.THydrogen-bonded Turntrans-57.2-22.7-173.5-65-176.9178.4-1780114.9
447N81.7Confident85.8Confident126 Ų12668.6 Ų68.667%0.67435%0.349SS*.THydrogen-bonded Turntrans-86.4-14.6176.858.2-27.9000113.8E445 T451E445-N447 WeakPolarHBondContact CB-OD1 3.18Å; E445-N447 PolarHBondContact O-N 3.04Å; N447-T451 PolarHBondContact O-OG1 3.24Å
448E83.8Confident85.9Confident39 Ų3969.6 Ų69.618%0.18235%0.349CS..THydrogen-bonded Turntrans-101.7-17.8-177.6-66176.7133.700113.2L444 E445 H450 T451 V452 R463L444-E448 HydrophobicContact CB-CB 4.24Å; L444-E448 HydrophobicContact CD2-CB 4.18Å; E445-E448 PolarHBondContact N-OE2 3.46Å; E445-E448 PolarHBondContact O-N 3.23Å; E448-H450 PolarHBondContact O-N 2.86Å; E448-T451 PolarHBondContact O-N 2.88Å; E448-V452 HydrophobicContact CB-CB 4.4Å; E448-V452 HydrophobicContact CB-CG2 3.88Å; E448-V452 HydrophobicContact CG-CG2 4.06Å; E448-V452 PolarHBondContact O-N 3.5Å; E448-R463 IonicContact OE1-CZ 2.66Å; E448-R463 IonicContact OE1-NH1 2.65Å; E448-R463 IonicContact OE1-NH2 3.79Å; E448-R463 PolarHBondContact OE1-NH2 3.16Å; E448-R463 IonicContact OE2-CZ 2.73Å; E448-R463 IonicContact OE2-NH1 3.93Å; E448-R463 PolarHBondContact OE2-NH1 3.31Å; E448-R463 IonicContact OE2-NH2 3.53Å; E448-R463 PolarHBondContact OE2-NH2 3.44Å
449Q76Confident86Confident45 Ų4569.3 Ų69.321%0.2135%0.352CS..THydrogen-bonded Turntrans-49.4-30.5-170.4-152.770.77.100116C440 D441 E445C440-Q449 PolarHBondContact O-NE2 3.46Å; C440-Q449 PolarHBondContact O-OE1 3Å; D441-Q449 PolarHBondContact OD1-NE2 3.49Å; E445-Q449 PolarHBondContact O-N 2.89Å
450H77.1Confident86.1Confident172 Ų17269.3 Ų69.380%0.79635%0.352SS*.THydrogen-bonded Turntrans-116.53.5-179.9-55.395.6000113.1E448E448-H450 PolarHBondContact O-N 2.86Å
451T81.6Confident86.3Confident109 Ų10969.6 Ų69.667%0.66935%0.352SS*.THydrogen-bonded Turntrans-110.8-38-170.7-46.70000111.2N447 E448N447-T451 PolarHBondContact O-OG1 3.24Å; E448-T451 PolarHBondContact O-N 2.88Å
452V84.6Confident86.6Confident30 Ų3066.4 Ų66.418%0.18234%0.337CS..  trans-10594.8-173.6-177.90000110L435 L444 E448 L455L435-V452 HydrophobicContact CD1-CG1 4.43Å; L444-V452 HydrophobicContact CD2-CB 4.2Å; L444-V452 HydrophobicContact CD2-CG1 4.24Å; E448-V452 HydrophobicContact CB-CB 4.4Å; E448-V452 HydrophobicContact CB-CG2 3.88Å; E448-V452 HydrophobicContact CG-CG2 4.06Å; E448-V452 PolarHBondContact O-N 3.5Å; V452-L455 HydrophobicContact CG1-CD2 3.65Å; V452-L455 HydrophobicContact CG1-CG 3.84Å
453M83.4Confident86.9Confident121 Ų12168.9 Ų68.960%0.59635%0.345SS*.  trans-90.8-17.5-179.2-58.4-57.6-66.300114.1L435L435-M453 PolarHBondContact N-O 3.46Å
454K88.9Confident87.1Confident93 Ų9368.8 Ų68.840%0.40435%0.345SS..EExtended strand (participates in β ladder)trans-139140.9179-55-173-169.6-174.40109.9D426 L432 V433 K434D426-K454 IonicContact OD1-NZ 2.94Å; D426-K454 WeakPolarHBondContact OD2-CE 3.13Å; D426-K454 IonicContact OD2-NZ 3.64Å; D426-K454 PolarHBondContact OD2-NZ 3.32Å; L432-K454 HydrophobicContact CD1-CD 4.32Å; V433-K454 CarbonylContact O-C 3.5Å; V433-K454 VanDerWaalsContact O-CA 3.28Å; V433-K454 WeakPolarHBondContact O-CA 3.14Å; K434-K454 HydrophobicContact CG-CG 4.26Å
455L90.6Very high87.3Confident14 Ų1469.2 Ų69.27%0.07335%0.347CS..EExtended strand (participates in β ladder)trans-127.4148.3171.2-77.4177.2000111.1V433 L435 I443 L444 V452 L460V433-L455 PolarHBondContact N-O 2.88Å; V433-L455 PolarHBondContact O-N 3.45Å; L435-L455 HydrophobicContact CD1-CD1 3.9Å; L435-L455 HydrophobicContact CD1-CG 4.08Å; L435-L455 HydrophobicContact CD2-CB 4.41Å; L435-L455 HydrophobicContact CD2-CD1 4.29Å; L435-L455 HydrophobicContact CD2-CG 4.5Å; I443-L455 HydrophobicContact CD1-CD1 3.96Å; L444-L455 HydrophobicContact CD2-CD1 4.34Å; V452-L455 HydrophobicContact CG1-CD2 3.65Å; V452-L455 HydrophobicContact CG1-CG 3.84Å; L455-L460 HydrophobicContact CB-CB 4.5Å
456P93.8Very high87.6Confident41 Ų4171.9 Ų71.927%0.26636%0.359SS..EExtended strand (participates in β ladder)trans-71.5151.716832.1-34.4000110.7N431 L432 D458 S459 L460N431-P456 VanDerWaalsContact O-CA 3.3Å; N431-P456 WeakPolarHBondContact O-CA 3.28Å; L432-P456 HydrophobicContact CD2-CB 4.17Å; P456-D458 VanDerWaalsContact C-N 3.29Å; P456-D458 PolarHBondContact O-N 3.13Å; P456-S459 WeakPolarHBondContact CG-OG 3.36Å; P456-S459 PolarHBondContact O-N 2.99Å; P456-S459 VanDerWaalsContact O-N 3.16Å; P456-L460 PolarHBondContact O-N 2.91Å
457W91.1Very high88Confident42 Ų4265.5 Ų65.516%0.15933%0.332CS..Hα-helixtrans-51.2-43.7-177.8-78.9106.5000114.2I416 A419 V425 K430 N431 V433 S459 L460 L461I416-W457 HydrophobicContact CB-CH2 4.36Å; I416-W457 HydrophobicContact CB-CZ3 4.22Å; I416-W457 HydrophobicContact CG1-CE3 4.13Å; I416-W457 HydrophobicContact CG1-CH2 4.15Å; I416-W457 HydrophobicContact CG1-CZ3 3.65Å; I416-W457 HydrophobicContact CG2-CH2 4.39Å; A419-W457 HydrophobicContact CB-CH2 3.68Å; A419-W457 HydrophobicContact CB-CZ3 4.12Å; V425-W457 HydrophobicContact CG2-CH2 4.49Å; V425-W457 HydrophobicContact CG2-CZ2 3.86Å; K430-W457 PolarHBondContact O-NE1 2.79Å; N431-W457 VanDerWaalsContact O-CD1 3.26Å; N431-W457 PolarHBondContact O-N 3.08Å; N431-W457 VanDerWaalsContact O-N 3.13Å; V433-W457 HydrophobicContact CG2-CD2 3.62Å; V433-W457 VanDerWaalsContact CG2-CE2 3.43Å; V433-W457 HydrophobicContact CG2-CE3 3.9Å; V433-W457 HydrophobicContact CG2-CG 4.24Å; V433-W457 HydrophobicContact CG2-CH2 3.94Å; V433-W457 HydrophobicContact CG2-CZ2 3.64Å; V433-W457 HydrophobicContact CG2-CZ3 4.04Å; W457-S459 PolarHBondContact O-N 2.94Å; W457-L460 HydrophobicContact CE3-CD2 4.14Å; W457-L460 HydrophobicContact CZ3-CD2 4.25Å; W457-L460 PolarHBondContact O-N 3.41Å; W457-L461 WeakPolarHBondContact O-CB 3.15Å; W457-L461 VanDerWaalsContact O-CG 3.24Å; W457-L461 WeakPolarHBondContact O-CG 3.01Å; W457-L461 PolarHBondContact O-N 3.29Å
458D92.3Very high88.4Confident121 Ų12159.7 Ų59.765%0.64730%0.301SS*.Hα-helixtrans-62.4-43.5-178.2-174.770.8000112.4P456 T462P456-D458 VanDerWaalsContact C-N 3.29Å; P456-D458 PolarHBondContact O-N 3.13Å; D458-T462 VanDerWaalsContact O-CB 3.26Å; D458-T462 WeakPolarHBondContact O-CB 3.39Å; D458-T462 PolarHBondContact O-N 3.4Å; D458-T462 PolarHBondContact O-OG1 2.84Å
459S91.4Very high88.8Confident45 Ų4562.3 Ų62.332%0.31531%0.313SS..Hα-helixtrans-70.4-37.4176.1-55.40000112.6P456 W457 R463P456-S459 WeakPolarHBondContact CG-OG 3.36Å; P456-S459 PolarHBondContact O-N 2.99Å; P456-S459 VanDerWaalsContact O-N 3.16Å; W457-S459 PolarHBondContact O-N 2.94Å; S459-R463 VanDerWaalsContact O-CB 3.3Å; S459-R463 WeakPolarHBondContact O-CB 3.25Å; S459-R463 VanDerWaalsContact O-CG 3.25Å; S459-R463 WeakPolarHBondContact O-CG 3.4Å; S459-R463 PolarHBondContact O-N 3.01Å
460L91.1Very high89.7Confident0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-60.5-51.8173.9172.460.9000110.8I415 V433 L435 L439 I443 L455 P456 W457 T462 C464I415-L460 HydrophobicContact CG2-CD2 4.06Å; I415-L460 HydrophobicContact CG2-CG 4.12Å; V433-L460 HydrophobicContact CB-CD2 3.95Å; V433-L460 HydrophobicContact CG1-CD2 3.93Å; V433-L460 HydrophobicContact CG2-CD2 3.93Å; L435-L460 HydrophobicContact CD2-CD1 4.41Å; L439-L460 HydrophobicContact CD1-CD1 4.44Å; L439-L460 HydrophobicContact CD2-CD1 4.12Å; I443-L460 HydrophobicContact CD1-CD1 3.42Å; I443-L460 VanDerWaalsContact CD1-CD1 3.42Å; L455-L460 HydrophobicContact CB-CB 4.5Å; P456-L460 PolarHBondContact O-N 2.91Å; W457-L460 HydrophobicContact CE3-CD2 4.14Å; W457-L460 HydrophobicContact CZ3-CD2 4.25Å; W457-L460 PolarHBondContact O-N 3.41Å; L460-T462 PolarHBondContact O-N 2.89Å; L460-C464 WeakPolarHBondContact O-CB 3.49Å; L460-C464 PolarHBondContact O-N 2.85Å; L460-C464 PolarHBondContact O-SG 3.24Å
461L92.2Very high90.4Very high22 Ų2254.9 Ų54.912%0.11528%0.284CS..Hα-helixtrans-64.6-41.1-179.5-67.7176.1000112R412 I415 W457 C464 L465R412-L461 HydrophobicContact CB-CD2 4.25Å; R412-L461 HydrophobicContact CG-CD1 4.14Å; R412-L461 HydrophobicContact CG-CD2 4.08Å; I415-L461 HydrophobicContact CB-CD2 3.85Å; I415-L461 HydrophobicContact CD1-CD2 3.8Å; I415-L461 HydrophobicContact CG1-CD2 4.47Å; I415-L461 HydrophobicContact CG2-CD2 3.82Å; W457-L461 WeakPolarHBondContact O-CB 3.15Å; W457-L461 VanDerWaalsContact O-CG 3.24Å; W457-L461 WeakPolarHBondContact O-CG 3.01Å; W457-L461 PolarHBondContact O-N 3.29Å; L461-C464 PolarHBondContact O-N 3.1Å; L461-L465 VanDerWaalsContact O-CG 3.29Å; L461-L465 WeakPolarHBondContact O-CG 3.34Å; L461-L465 PolarHBondContact O-N 3.46Å
462T92.9Very high90.9Very high56 Ų5650.6 Ų50.634%0.34426%0.256SS..Hα-helixtrans-64.7-50.2177.9-60.40000111.4D458 L460 C464 L465 E466D458-T462 VanDerWaalsContact O-CB 3.26Å; D458-T462 WeakPolarHBondContact O-CB 3.39Å; D458-T462 PolarHBondContact O-N 3.4Å; D458-T462 PolarHBondContact O-OG1 2.84Å; L460-T462 PolarHBondContact O-N 2.89Å; T462-C464 VanDerWaalsContact C-N 3.32Å; T462-C464 PolarHBondContact O-N 2.73Å; T462-L465 PolarHBondContact O-N 3.01Å; T462-L465 VanDerWaalsContact O-N 3.12Å; T462-E466 WeakPolarHBondContact O-CG 3.49Å; T462-E466 PolarHBondContact O-N 3.38Å
463R91.4Very high91.2Very high61 Ų6151.1 Ų51.123%0.2326%0.257CS..Hα-helixtrans-58.9-41.8176.5-74171.8174.3-119.87.5112.1I443 E448 S459 E466 K467I443-R463 HydrophobicContact CB-CB 4.43Å; E448-R463 IonicContact OE1-CZ 2.66Å; E448-R463 IonicContact OE1-NH1 2.65Å; E448-R463 IonicContact OE1-NH2 3.79Å; E448-R463 PolarHBondContact OE1-NH2 3.16Å; E448-R463 IonicContact OE2-CZ 2.73Å; E448-R463 IonicContact OE2-NH1 3.93Å; E448-R463 PolarHBondContact OE2-NH1 3.31Å; E448-R463 IonicContact OE2-NH2 3.53Å; E448-R463 PolarHBondContact OE2-NH2 3.44Å; S459-R463 VanDerWaalsContact O-CB 3.3Å; S459-R463 WeakPolarHBondContact O-CB 3.25Å; S459-R463 VanDerWaalsContact O-CG 3.25Å; S459-R463 WeakPolarHBondContact O-CG 3.4Å; S459-R463 PolarHBondContact O-N 3.01Å; R463-E466 PolarHBondContact O-N 3.27Å; R463-K467 WeakPolarHBondContact O-CB 3.41Å; R463-K467 WeakPolarHBondContact O-CG 3.21Å; R463-K467 PolarHBondContact O-N 3.13Å
464C90.8Very high91.5Very high0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-60.2-46.2174.2-75.70000112.3M391 I415 L460 L461 T462 E466 K467 L468M391-C464 HydrophobicContact CE-CB 4.15Å; I415-C464 HydrophobicContact CD1-CB 3.36Å; I415-C464 HydrophobicContact CG1-CB 4.42Å; L460-C464 WeakPolarHBondContact O-CB 3.49Å; L460-C464 PolarHBondContact O-N 2.85Å; L460-C464 PolarHBondContact O-SG 3.24Å; L461-C464 PolarHBondContact O-N 3.1Å; T462-C464 VanDerWaalsContact C-N 3.32Å; T462-C464 PolarHBondContact O-N 2.73Å; C464-E466 VanDerWaalsContact C-N 3.31Å; C464-E466 PolarHBondContact O-N 2.96Å; C464-K467 PolarHBondContact O-N 2.8Å; C464-L468 WeakPolarHBondContact O-CG 3.35Å; C464-L468 PolarHBondContact O-N 3.13Å
465L91.2Very high91.5Very high19 Ų1942.7 Ų42.710%0.09922%0.22CC..Hα-helixtrans-64.9-32.9178.6-72.1165.3000112.6Y385 V411 L461 T462Y385-L465 HydrophobicContact CD1-CD2 4.09Å; Y385-L465 HydrophobicContact CD2-CD2 4.01Å; Y385-L465 HydrophobicContact CE1-CB 4.16Å; Y385-L465 HydrophobicContact CE1-CD2 3.86Å; Y385-L465 WeakPolarHBondContact CE1-O 3.24Å; Y385-L465 HydrophobicContact CE2-CD2 3.8Å; Y385-L465 HydrophobicContact CG-CD2 4.17Å; V411-L465 HydrophobicContact CB-CD2 4.01Å; V411-L465 HydrophobicContact CG1-CD2 3.67Å; V411-L465 HydrophobicContact CG1-CG 4.26Å; V411-L465 HydrophobicContact CG2-CD2 4.45Å; L461-L465 VanDerWaalsContact O-CG 3.29Å; L461-L465 WeakPolarHBondContact O-CG 3.34Å; L461-L465 PolarHBondContact O-N 3.46Å; T462-L465 PolarHBondContact O-N 3.01Å; T462-L465 VanDerWaalsContact O-N 3.12Å
466E91.3Very high91.2Very high151 Ų15143.3 Ų43.371%0.70622%0.222SC*.Hα-helixtrans-74.2-32.1176.1-71.7178.8160.500113.6T462 R463 C464T462-E466 WeakPolarHBondContact O-CG 3.49Å; T462-E466 PolarHBondContact O-N 3.38Å; R463-E466 PolarHBondContact O-N 3.27Å; C464-E466 VanDerWaalsContact C-N 3.31Å; C464-E466 PolarHBondContact O-N 2.96Å
467K90.2Very high90.6Very high69 Ų6945.3 Ų45.330%0.324%0.235SC..Hα-helixtrans-77.4-23.4177-66-82.3175.1168.60112.8M391 I443 E445 R463 C464M391-K467 HydrophobicContact CE-CB 4.3Å; M391-K467 HydrophobicContact SD-CB 3.67Å; I443-K467 WeakPolarHBondContact O-CE 3.42Å; E445-K467 IonicContact OE1-NZ 3.7Å; E445-K467 PolarHBondContact OE1-NZ 3.39Å; E445-K467 IonicContact OE2-NZ 2.76Å; R463-K467 WeakPolarHBondContact O-CB 3.41Å; R463-K467 WeakPolarHBondContact O-CG 3.21Å; R463-K467 PolarHBondContact O-N 3.13Å; C464-K467 PolarHBondContact O-N 2.8Å
468L91.6Very high89.8Confident4 Ų447.7 Ų47.72%0.02127%0.273CS..SBendtrans-69.5148.8172-69.9171.8000111.4Y385 V387 M391 F395 V411 C464Y385-L468 HydrophobicContact CD1-CB 3.98Å; Y385-L468 HydrophobicContact CD1-CD1 4.37Å; Y385-L468 HydrophobicContact CG-CB 4.42Å; Y385-L468 HydrophobicContact CG-CD1 4.23Å; V387-L468 HydrophobicContact CG2-CD2 4.44Å; M391-L468 HydrophobicContact SD-CD2 3.76Å; M391-L468 HydrophobicContact SD-CG 4Å; F395-L468 HydrophobicContact CE2-CD2 3.9Å; F395-L468 HydrophobicContact CZ-CD1 4.22Å; F395-L468 HydrophobicContact CZ-CD2 4.13Å; V411-L468 HydrophobicContact CB-CD1 4.29Å; V411-L468 HydrophobicContact CG1-CD1 3.63Å; V411-L468 HydrophobicContact CG2-CD1 3.61Å; C464-L468 WeakPolarHBondContact O-CG 3.35Å; C464-L468 PolarHBondContact O-N 3.13Å
469Q92.4Very high89.1Confident93 Ų9347.6 Ų47.644%0.43527%0.268SS..EExtended strand (participates in β ladder)trans-76.2125178.8-66.3-175.7-12.400109.8C386 P388C386-Q469 HydrophobicContact CB-CB 4.06Å; C386-Q469 PolarHBondContact N-O 2.63Å; C386-Q469 PolarHBondContact O-N 2.98Å; P388-Q469 HydrophobicContact CB-CG 4.36Å
470P93Very high88.4Confident56 Ų5653.5 Ų53.536%0.36429%0.291SS..EExtended strand (participates in β ladder)trans-64140.6178.126.2-33.9000110.7G486 K487P470-G486 CarbonylContact C-O 3.58Å; P470-G486 CarbonylContact O-C 3.59Å; P470-G486 WeakPolarHBondContact O-CA 3.47Å; P470-G486 PolarHBondContact O-N 3.42Å; P470-K487 HydrophobicContact CB-CG 3.89Å; P470-K487 HydrophobicContact CG-CG 4.11Å
471A92.8Very high88.2Confident6 Ų656.8 Ų56.85%0.0531%0.312CS..EExtended strand (participates in β ladder)trans-144.3173.3173.900000109.5L384 C386 F405 K484 G486L384-A471 HydrophobicContact CB-CB 4Å; L384-A471 PolarHBondContact N-O 3.14Å; L384-A471 CarbonylContact O-C 3.52Å; L384-A471 WeakPolarHBondContact O-CA 3.42Å; L384-A471 PolarHBondContact O-N 3.42Å; C386-A471 HydrophobicContact CB-CB 4.5Å; F405-A471 HydrophobicContact CD1-CB 3.78Å; F405-A471 HydrophobicContact CE1-CB 3.82Å; A471-K484 CarbonylContact C-O 3.52Å; A471-K484 VanDerWaalsContact CA-O 3.31Å; A471-K484 WeakPolarHBondContact CA-O 3.25Å; A471-K484 WeakPolarHBondContact CB-O 2.99Å; A471-G486 CarbonylContact C-O 3.6Å; A471-G486 VanDerWaalsContact CA-O 3.3Å; A471-G486 WeakPolarHBondContact CA-O 3.25Å; A471-G486 PolarHBondContact N-O 3.37Å
472Y91.7Very high87.9Confident19 Ų1959 Ų598%0.07532%0.323CS..EExtended strand (participates in β ladder)trans-151.6151.1171.461.9-77000110.6K382 V474 V483 K484 G486 I488K382-Y472 CarbonylContact O-C 3.58Å; K382-Y472 VanDerWaalsContact O-CA 3.3Å; K382-Y472 WeakPolarHBondContact O-CA 3.29Å; Y472-V474 HydrophobicContact CD2-CG2 3.46Å; Y472-V474 VanDerWaalsContact CD2-CG2 3.46Å; Y472-V474 HydrophobicContact CE2-CG2 3.47Å; Y472-V474 VanDerWaalsContact CE2-CG2 3.47Å; Y472-V483 WeakPolarHBondContact O-CA 3.38Å; Y472-K484 HydrophobicContact CD1-CB 4.23Å; Y472-K484 HydrophobicContact CE1-CB 3.67Å; Y472-K484 HydrophobicContact CE2-CB 4.06Å; Y472-K484 HydrophobicContact CE2-CD 4.11Å; Y472-K484 PolarHBondContact N-O 3.03Å; Y472-K484 PolarHBondContact O-N 2.84Å; Y472-K484 WeakPolarHBondContact OH-CD 3.16Å; Y472-G486 WeakPolarHBondContact CD1-O 3.24Å; Y472-I488 HydrophobicContact CD1-CB 4.06Å; Y472-I488 HydrophobicContact CD2-CB 3.93Å; Y472-I488 HydrophobicContact CD2-CD1 4.11Å; Y472-I488 HydrophobicContact CD2-CG1 4.12Å; Y472-I488 HydrophobicContact CE1-CB 4.12Å; Y472-I488 HydrophobicContact CE2-CB 3.98Å; Y472-I488 HydrophobicContact CE2-CD1 4.03Å; Y472-I488 HydrophobicContact CE2-CG1 3.81Å; Y472-I488 HydrophobicContact CG-CB 3.97Å
473Q91.6Very high87.7Confident41 Ų4159.1 Ų59.119%0.19232%0.324CS..EExtended strand (participates in β ladder)trans-108.7131.1171.1173.6177-40.800108.5I381 K382 L384 P481 I482 V483I381-Q473 WeakPolarHBondContact CA-O 3.4Å; K382-Q473 PolarHBondContact N-O 3.06Å; K382-Q473 PolarHBondContact O-N 3.32Å; L384-Q473 HydrophobicContact CD1-CB 3.66Å; L384-Q473 HydrophobicContact CG-CB 4.26Å; Q473-P481 HydrophobicContact CG-CB 3.62Å; Q473-P481 VanDerWaalsContact NE2-CB 3.28Å; Q473-I482 WeakPolarHBondContact CA-O 3.28Å; Q473-V483 HydrophobicContact CB-CG2 4.33Å; Q473-V483 HydrophobicContact CG-CG2 4.41Å
474V89.8Confident87.6Confident1 Ų159.9 Ų59.91%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-113.3120.5173.1-169.90000107.8P379 I381 Y472 F476 I482P379-V474 HydrophobicContact CB-CG1 3.62Å; P379-V474 HydrophobicContact CG-CG1 4.11Å; I381-V474 HydrophobicContact CG1-CG1 4.29Å; Y472-V474 HydrophobicContact CD2-CG2 3.46Å; Y472-V474 VanDerWaalsContact CD2-CG2 3.46Å; Y472-V474 HydrophobicContact CE2-CG2 3.47Å; Y472-V474 VanDerWaalsContact CE2-CG2 3.47Å; V474-F476 HydrophobicContact CB-CE2 4.25Å; V474-F476 HydrophobicContact CG1-CD2 4.18Å; V474-F476 HydrophobicContact CG1-CE1 4.06Å; V474-F476 HydrophobicContact CG1-CE2 3.55Å; V474-F476 HydrophobicContact CG1-CZ 3.47Å; V474-F476 VanDerWaalsContact CG1-CZ 3.47Å; V474-I482 PolarHBondContact N-O 2.95Å; V474-I482 PolarHBondContact O-N 2.97Å
475T88.4Confident87.4Confident36 Ų3666.4 Ų66.422%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-110.9110.2177.5-41.70000108.1P379 D380 P481P379-T475 WeakPolarHBondContact CA-O 3.48Å; D380-T475 PolarHBondContact N-O 2.9Å; D380-T475 PolarHBondContact O-N 3.12Å; T475-P481 HydrophobicContact CG2-CB 4.37Å; T475-P481 HydrophobicContact CG2-CG 4.09Å
476F85.1Confident87.2Confident26 Ų2666.9 Ų66.911%0.11437%0.367CS..  trans-87139.3172.3-63.7-77.7000109.1P379 V474 G478 Q479 I482 Y513P379-F476 HydrophobicContact CB-CD1 3.69Å; P379-F476 HydrophobicContact CB-CE1 3.65Å; P379-F476 HydrophobicContact CB-CG 4.41Å; P379-F476 HydrophobicContact CB-CZ 4.36Å; P379-F476 HydrophobicContact CG-CD1 4.25Å; P379-F476 HydrophobicContact CG-CE1 3.78Å; V474-F476 HydrophobicContact CB-CE2 4.25Å; V474-F476 HydrophobicContact CG1-CD2 4.18Å; V474-F476 HydrophobicContact CG1-CE1 4.06Å; V474-F476 HydrophobicContact CG1-CE2 3.55Å; V474-F476 HydrophobicContact CG1-CZ 3.47Å; V474-F476 VanDerWaalsContact CG1-CZ 3.47Å; F476-G478 PolarHBondContact O-N 3.48Å; F476-Q479 HydrophobicContact CB-CB 4.15Å; F476-Q479 HydrophobicContact CB-CG 4.24Å; F476-Q479 PolarHBondContact O-N 2.92Å; F476-I482 HydrophobicContact CD2-CD1 4.31Å; F476-I482 HydrophobicContact CE2-CD1 4.24Å; F476-Y513 WeakPolarHBondContact CE1-O 3.47Å
477P80.3Confident86.9Confident84 Ų8467.8 Ų67.855%0.54537%0.368SS..THydrogen-bonded Turntrans-53128.4174-29.238.6000111.5H377 Q479H377-P477 HydrophobicContact CB-CG 3.85Å; P477-Q479 VanDerWaalsContact C-N 3.34Å; P477-Q479 PolarHBondContact O-N 2.79Å
478G74.8Confident86.7Confident92 Ų9266.2 Ų66.295%0.94836%0.363SS*.THydrogen-bonded Turntrans77.16.4-177.400000116.2F476F476-G478 PolarHBondContact O-N 3.48Å
479Q76.4Confident86.5Confident118 Ų11869 Ų6955%0.55138%0.382SS*.SBendtrans-125.4155.9176.3-56.3-178.22100112F476 P477F476-Q479 HydrophobicContact CB-CB 4.15Å; F476-Q479 HydrophobicContact CB-CG 4.24Å; F476-Q479 PolarHBondContact O-N 2.92Å; P477-Q479 VanDerWaalsContact C-N 3.34Å; P477-Q479 PolarHBondContact O-N 2.79Å
480E77.8Confident86.5Confident170 Ų17066.4 Ų66.479%0.79437%0.373SS*.  trans-66.1149.2174-66.5-17517100111.8I482E480-I482 PolarHBondContact O-N 2.79Å
481P87.2Confident86.5Confident69 Ų6963.7 Ų63.745%0.44836%0.356SS..  trans-66.6125-177.8-17.129.4000113.1Q473 T475Q473-P481 HydrophobicContact CG-CB 3.62Å; Q473-P481 VanDerWaalsContact NE2-CB 3.28Å; T475-P481 HydrophobicContact CG2-CB 4.37Å; T475-P481 HydrophobicContact CG2-CG 4.09Å
482I86.2Confident86.5Confident68 Ų6864.8 Ų64.835%0.34936%0.361SS..EExtended strand (participates in β ladder)trans-95.4111.6-178.2-52.9179.2000109.5Q473 V474 F476 E480 K484Q473-I482 WeakPolarHBondContact CA-O 3.28Å; V474-I482 PolarHBondContact N-O 2.95Å; V474-I482 PolarHBondContact O-N 2.97Å; F476-I482 HydrophobicContact CD2-CD1 4.31Å; F476-I482 HydrophobicContact CE2-CD1 4.24Å; E480-I482 PolarHBondContact O-N 2.79Å; I482-K484 HydrophobicContact CG2-CG 4.34Å
483V89.1Confident86.6Confident58 Ų5863.9 Ų63.935%0.35236%0.357SS..EExtended strand (participates in β ladder)trans-88.5126.6175.9-175.20000110.9L384 F405 Y472 Q473L384-V483 HydrophobicContact CD1-CG1 4.23Å; L384-V483 HydrophobicContact CD1-CG2 4.38Å; F405-V483 HydrophobicContact CD1-CG1 3.69Å; F405-V483 HydrophobicContact CD2-CG1 4.01Å; F405-V483 HydrophobicContact CE1-CG1 3.54Å; F405-V483 HydrophobicContact CE2-CG1 3.88Å; F405-V483 HydrophobicContact CG-CG1 3.92Å; F405-V483 HydrophobicContact CZ-CG1 3.64Å; Y472-V483 WeakPolarHBondContact O-CA 3.38Å; Q473-V483 HydrophobicContact CB-CG2 4.33Å; Q473-V483 HydrophobicContact CG-CG2 4.41Å
484K87.3Confident86.7Confident78 Ų7863.6 Ų63.634%0.33936%0.358SS..EExtended strand (participates in β ladder)trans-123.9143.6177-70.6179.2-179.91740110.7A471 Y472 I482A471-K484 CarbonylContact C-O 3.52Å; A471-K484 VanDerWaalsContact CA-O 3.31Å; A471-K484 WeakPolarHBondContact CA-O 3.25Å; A471-K484 WeakPolarHBondContact CB-O 2.99Å; Y472-K484 HydrophobicContact CD1-CB 4.23Å; Y472-K484 HydrophobicContact CE1-CB 3.67Å; Y472-K484 HydrophobicContact CE2-CB 4.06Å; Y472-K484 HydrophobicContact CE2-CD 4.11Å; Y472-K484 PolarHBondContact N-O 3.03Å; Y472-K484 PolarHBondContact O-N 2.84Å; Y472-K484 WeakPolarHBondContact OH-CD 3.16Å; I482-K484 HydrophobicContact CG2-CG 4.34Å
485K86.9Confident86.8Confident136 Ų13666.3 Ų66.359%0.59137%0.372SS*.EExtended strand (participates in β ladder)trans-86.8151.1175.4-65.1-174.5178.5-173.10110.8F405F405-K485 HydrophobicContact CE1-CG 4.12Å; F405-K485 HydrophobicContact CZ-CG 4.29Å
486G87.4Confident86.8Confident29 Ų2966.2 Ų66.230%0.29938%0.375SS..SBendtrans96.8-179.4-17300000112.5P470 A471 Y472P470-G486 CarbonylContact C-O 3.58Å; P470-G486 CarbonylContact O-C 3.59Å; P470-G486 WeakPolarHBondContact O-CA 3.47Å; P470-G486 PolarHBondContact O-N 3.42Å; A471-G486 CarbonylContact C-O 3.6Å; A471-G486 VanDerWaalsContact CA-O 3.3Å; A471-G486 WeakPolarHBondContact CA-O 3.25Å; A471-G486 PolarHBondContact N-O 3.37Å; Y472-G486 WeakPolarHBondContact CD1-O 3.24Å
487K85.7Confident87Confident171 Ų17171 Ų7174%0.74340%0.398SS*.PPolyproline II helixtrans-80.1148.5167.8-63.1-178.2179.9-178.40108.7P470 C489P470-K487 HydrophobicContact CB-CG 3.89Å; P470-K487 HydrophobicContact CG-CG 4.11Å; K487-C489 PolarHBondContact O-N 3.2Å
488I86.3Confident87Confident36 Ų3673.8 Ų73.819%0.18540%0.398CS..PPolyproline II helixtrans-62.4125.8172.8-172.8170.5000109.9I381 Y472 Y513I381-I488 HydrophobicContact CD1-CD1 3.79Å; I381-I488 HydrophobicContact CG1-CD1 4.3Å; I381-I488 HydrophobicContact CG2-CD1 3.7Å; Y472-I488 HydrophobicContact CD1-CB 4.06Å; Y472-I488 HydrophobicContact CD2-CB 3.93Å; Y472-I488 HydrophobicContact CD2-CD1 4.11Å; Y472-I488 HydrophobicContact CD2-CG1 4.12Å; Y472-I488 HydrophobicContact CE1-CB 4.12Å; Y472-I488 HydrophobicContact CE2-CB 3.98Å; Y472-I488 HydrophobicContact CE2-CD1 4.03Å; Y472-I488 HydrophobicContact CE2-CG1 3.81Å; Y472-I488 HydrophobicContact CG-CB 3.97Å; I488-Y513 HydrophobicContact CD1-CE1 3.82Å; I488-Y513 WeakPolarHBondContact CD1-OH 3.25Å
489C86.7Confident87.2Confident63 Ų6372 Ų7243%0.42637%0.373SS..PPolyproline II helixtrans-76.6121.5176.7-62.80000109.2K487 N509 Y513K487-C489 PolarHBondContact O-N 3.2Å; C489-N509 HydrophobicContact CB-CB 4.45Å; C489-Y513 WeakPolarHBondContact O-CE2 3.26Å; C489-Y513 PolarHBondContact O-OH 3.47Å
490P91.7Very high87.4Confident37 Ų3771.4 Ų71.424%0.2438%0.383CS..PPolyproline II helixtrans-64.615917529-35000111.1D492 N509 H570 Q572P490-D492 PolarHBondContact O-N 3.16Å; P490-D492 VanDerWaalsContact O-N 3.11Å; P490-N509 PolarHBondContact O-ND2 3.02Å; P490-H570 CarbonylContact C-O 3.57Å; P490-H570 VanDerWaalsContact CA-O 3.31Å; P490-H570 WeakPolarHBondContact CA-O 3.26Å; P490-H570 WeakPolarHBondContact CB-O 3.32Å; P490-Q572 HydrophobicContact CB-CB 4.42Å; P490-Q572 HydrophobicContact CG-CB 4.29Å
491I92.9Very high87.6Confident0 Ų070.2 Ų70.20%038%0.382CS..EExtended strand (participates in β ladder)trans-63.8110.8167.3-58.9177.8000107.5I493 V507 R508 L510 Y513 L515 L560 L566 H570 Q572I491-I493 HydrophobicContact CG2-CG1 4.49Å; I491-V507 HydrophobicContact CG2-CG1 3.68Å; I491-R508 WeakPolarHBondContact CA-O 3.45Å; I491-L510 HydrophobicContact CD1-CD2 4.2Å; I491-L510 HydrophobicContact CG2-CD2 4.04Å; I491-Y513 HydrophobicContact CD1-CD2 3.86Å; I491-Y513 HydrophobicContact CD1-CE2 4.33Å; I491-Y513 HydrophobicContact CD1-CG 4.2Å; I491-Y513 HydrophobicContact CG1-CD2 3.49Å; I491-Y513 VanDerWaalsContact CG1-CD2 3.49Å; I491-Y513 HydrophobicContact CG1-CE2 3.6Å; I491-Y513 HydrophobicContact CG1-CG 4.31Å; I491-L515 HydrophobicContact CD1-CD1 4.2Å; I491-L560 HydrophobicContact CD1-CD1 4.41Å; I491-L560 HydrophobicContact CD1-CD2 3.84Å; I491-L560 HydrophobicContact CG2-CD1 4.02Å; I491-L566 HydrophobicContact CD1-CD1 3.55Å; I491-H570 PolarHBondContact N-O 3.43Å; I491-Q572 PolarHBondContact O-N 3.41Å
492D92.9Very high87.6Confident29 Ų2973.4 Ų73.416%0.15539%0.388CS..EExtended strand (participates in β ladder)trans-93.7118.1-176.7171.845.9000110.1P490 T494 V507 R508P490-D492 PolarHBondContact O-N 3.16Å; P490-D492 VanDerWaalsContact O-N 3.11Å; D492-T494 WeakPolarHBondContact OD1-CG2 3.31Å; D492-T494 WeakPolarHBondContact OD2-CG2 3.49Å; D492-V507 WeakPolarHBondContact O-CA 3.45Å; D492-R508 HydrophobicContact CB-CB 4.31Å; D492-R508 PolarHBondContact N-O 3.46Å; D492-R508 PolarHBondContact O-N 2.55Å
493I94.6Very high87.9Confident0 Ų075.3 Ų75.30%039%0.394CS..EExtended strand (participates in β ladder)trans-107.3112.7177.7-53.4171.4000108.7I491 T505 V506 V507 V553 L556 L560 I571 Q572 G573 L574I491-I493 HydrophobicContact CG2-CG1 4.49Å; I493-T505 HydrophobicContact CG2-CG2 3.81Å; I493-V506 WeakPolarHBondContact CA-O 2.98Å; I493-V507 HydrophobicContact CG1-CG1 4.47Å; I493-V553 HydrophobicContact CG2-CG1 4.25Å; I493-V553 HydrophobicContact CG2-CG2 3.82Å; I493-L556 HydrophobicContact CD1-CB 4.07Å; I493-L556 HydrophobicContact CD1-CD1 4.36Å; I493-L556 HydrophobicContact CG2-CD1 3.83Å; I493-L560 HydrophobicContact CD1-CD1 3.97Å; I493-I571 HydrophobicContact CD1-CG2 3.67Å; I493-I571 HydrophobicContact CG1-CG2 4.38Å; I493-Q572 WeakPolarHBondContact CB-O 3.26Å; I493-Q572 PolarHBondContact N-O 2.93Å; I493-G573 WeakPolarHBondContact O-CA 3.36Å; I493-L574 HydrophobicContact CD1-CD2 3.74Å; I493-L574 HydrophobicContact CD1-CG 4.4Å
494T92.9Very high88.1Confident35 Ų3573.5 Ų73.522%0.21538%0.383CS..EExtended strand (participates in β ladder)trans-117.5144.7-179.851.90000111.6D492 T505 V506D492-T494 WeakPolarHBondContact OD1-CG2 3.31Å; D492-T494 WeakPolarHBondContact OD2-CG2 3.49Å; T494-T505 CarbonylContact O-C 3.54Å; T494-V506 PolarHBondContact N-O 3.42Å; T494-V506 PolarHBondContact O-N 3.25Å; T494-V506 PolarHBondContact OG1-O 3.35Å
495L92Very high88.4Confident57 Ų5769.8 Ų69.830%0.29837%0.367SS..EExtended strand (participates in β ladder)trans-101.9113.3170.6-71178.2000108.6T505 N551 V553 K576L495-T505 HydrophobicContact CD2-CG2 4.14Å; L495-T505 WeakPolarHBondContact CD2-OG1 3.42Å; L495-N551 HydrophobicContact CD2-CB 4.17Å; L495-V553 HydrophobicContact CD1-CG2 4.37Å; L495-V553 HydrophobicContact CD2-CG2 3.89Å; L495-V553 HydrophobicContact CG-CG2 4.11Å; L495-K576 HydrophobicContact CD1-CB 4Å
496A89.6Confident88.8Confident35 Ų3563.5 Ų63.529%0.28934%0.34SS..EExtended strand (participates in β ladder)trans-103.4140.5175.100000110.2K503 V504 V506A496-K503 CarbonylContact O-C 3.55Å; A496-K503 WeakPolarHBondContact O-CA 3.32Å; A496-V504 PolarHBondContact N-O 3.37Å; A496-V504 PolarHBondContact O-N 3Å; A496-V506 HydrophobicContact CB-CG2 4.33Å
497Q88.8Confident89.1Confident126 Ų12662.1 Ų62.159%0.58933%0.326SS*.EExtended strand (participates in β ladder)trans-101.8116.9170.5-175.3165.4-20.200108.3
498R79.8Confident89.4Confident143 Ų14357.4 Ų57.454%0.5430%0.303SS..EExtended strand (participates in β ladder)trans-104.7-22.9-172.3-72.3-159172.8171.45.4115.1K502 V504R498-K502 PolarHBondContact N-O 3.46Å; R498-V504 HydrophobicContact CB-CG2 4.41Å; R498-V504 HydrophobicContact CG-CG2 4.12Å
499A80.2Confident89.6Confident53 Ų5358.4 Ų58.444%0.43831%0.309SS..EExtended strand (participates in β ladder)trans-148.8175.2174.100000108.9N501 K502A499-N501 PolarHBondContact O-N 2.92Å; A499-N501 VanDerWaalsContact O-N 3.08Å; A499-K502 HydrophobicContact CB-CB 4.18Å; A499-K502 HydrophobicContact CB-CD 4.33Å; A499-K502 HydrophobicContact CB-CG 4.44Å; A499-K502 PolarHBondContact O-N 3.49Å
500S78.7Confident89.8Confident107 Ų10755.5 Ų55.575%0.74829%0.29SS*.THydrogen-bonded Turntrans-50.5119.7175.8-170.10000110.6K502S500-K502 PolarHBondContact O-N 3.45Å
501N82.3Confident89.6Confident145 Ų14557.2 Ų57.278%0.77529%0.294SS*.THydrogen-bonded Turntrans52.76.9-174.8-62.6-23.6000118.1A499A499-N501 PolarHBondContact O-N 2.92Å; A499-N501 VanDerWaalsContact O-N 3.08Å
502K88.3Confident89.2Confident135 Ų13557.9 Ų57.959%0.58730%0.3SS*.EExtended strand (participates in β ladder)trans-94103.4176.7-66.4-170.3-179.7-178.70111.5R498 A499 S500R498-K502 PolarHBondContact N-O 3.46Å; A499-K502 HydrophobicContact CB-CB 4.18Å; A499-K502 HydrophobicContact CB-CD 4.33Å; A499-K502 HydrophobicContact CB-CG 4.44Å; A499-K502 PolarHBondContact O-N 3.49Å; S500-K502 PolarHBondContact O-N 3.45Å
503K91.5Very high89Confident108 Ų10856.5 Ų56.547%0.4729%0.293SS..EExtended strand (participates in β ladder)trans-84.4145.6169.8-63.2-177.4-179-179.50110.8A496 G550A496-K503 CarbonylContact O-C 3.55Å; A496-K503 WeakPolarHBondContact O-CA 3.32Å; K503-G550 VanDerWaalsContact O-CA 3.31Å; K503-G550 WeakPolarHBondContact O-CA 3.37Å; K503-G550 PolarHBondContact O-N 2.91Å
504V93.8Very high88.5Confident20 Ų2058.6 Ų58.612%0.12131%0.314CS..EExtended strand (participates in β ladder)trans-133.4131.5175.7178.90000107.3A496 R498 V506 Q547 I548 G550A496-V504 PolarHBondContact N-O 3.37Å; A496-V504 PolarHBondContact O-N 3Å; R498-V504 HydrophobicContact CB-CG2 4.41Å; R498-V504 HydrophobicContact CG-CG2 4.12Å; V504-V506 HydrophobicContact CG1-CG2 4.18Å; V504-Q547 HydrophobicContact CG1-CB 4.1Å; V504-I548 WeakPolarHBondContact CA-O 3.24Å; V504-I548 WeakPolarHBondContact CG1-O 3.32Å; V504-G550 CarbonylContact C-O 3.42Å
505T94.3Very high88.3Confident0 Ų057.2 Ų57.20%031%0.306CS..EExtended strand (participates in β ladder)trans-89.3129.4173-49.20000108.5I493 T494 L495 Q547 I548 G550 N551 Q552 V553 L556I493-T505 HydrophobicContact CG2-CG2 3.81Å; T494-T505 CarbonylContact O-C 3.54Å; L495-T505 HydrophobicContact CD2-CG2 4.14Å; L495-T505 WeakPolarHBondContact CD2-OG1 3.42Å; T505-Q547 CarbonylContact O-C 3.54Å; T505-Q547 WeakPolarHBondContact O-CA 3.18Å; T505-I548 PolarHBondContact N-O 3.39Å; T505-I548 PolarHBondContact O-N 2.97Å; T505-G550 PolarHBondContact N-O 2.94Å; T505-G550 VanDerWaalsContact N-O 3.14Å; T505-G550 PolarHBondContact OG1-O 3.49Å; T505-N551 WeakPolarHBondContact OG1-CA 3.3Å; T505-Q552 PolarHBondContact OG1-N 2.89Å; T505-V553 HydrophobicContact CG2-CG2 3.88Å; T505-L556 HydrophobicContact CG2-CD1 3.5Å
506V94.3Very high88.1Confident4 Ų458.3 Ų58.32%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-121.8129.3-178.2-175.80000108.8I493 T494 A496 V504 Q545 V546 Q547I493-V506 WeakPolarHBondContact CA-O 2.98Å; T494-V506 PolarHBondContact N-O 3.42Å; T494-V506 PolarHBondContact O-N 3.25Å; T494-V506 PolarHBondContact OG1-O 3.35Å; A496-V506 HydrophobicContact CB-CG2 4.33Å; V504-V506 HydrophobicContact CG1-CG2 4.18Å; V506-Q545 HydrophobicContact CG1-CB 4.2Å; V506-Q545 HydrophobicContact CG1-CG 4.24Å; V506-V546 CarbonylContact C-O 3.49Å; V506-V546 WeakPolarHBondContact CA-O 3.42Å; V506-Q547 HydrophobicContact CG1-CG 4.27Å; V506-Q547 HydrophobicContact CG2-CG 4.2Å
507V94.3Very high88.1Confident0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-119.7131.7-175.9-169.90000109.4I491 D492 I493 L510 Q545 V546 I548 L556I491-V507 HydrophobicContact CG2-CG1 3.68Å; D492-V507 WeakPolarHBondContact O-CA 3.45Å; I493-V507 HydrophobicContact CG1-CG1 4.47Å; V507-L510 HydrophobicContact CG1-CD1 4.24Å; V507-L510 HydrophobicContact CG1-CD2 3.84Å; V507-L510 HydrophobicContact CG1-CG 4.04Å; V507-Q545 CarbonylContact O-C 3.58Å; V507-Q545 VanDerWaalsContact O-CA 3.22Å; V507-Q545 WeakPolarHBondContact O-CA 3.48Å; V507-Q545 WeakPolarHBondContact O-CB 3.32Å; V507-V546 HydrophobicContact CB-CB 4.45Å; V507-V546 PolarHBondContact N-O 3.04Å; V507-V546 PolarHBondContact O-N 2.86Å; V507-I548 HydrophobicContact CG2-CD1 3.86Å; V507-L556 HydrophobicContact CG2-CD1 3.45Å; V507-L556 VanDerWaalsContact CG2-CD1 3.45Å; V507-L556 HydrophobicContact CG2-CD2 3.72Å; V507-L556 HydrophobicContact CG2-CG 4.25Å
508R92.4Very high88.1Confident72 Ų7257.6 Ų57.627%0.27230%0.298SS..EExtended strand (participates in β ladder)trans-128.1164.5-175.8-68.2173.5174.1167.8-2.3111.7I491 D492 L510 Q545I491-R508 WeakPolarHBondContact CA-O 3.45Å; D492-R508 HydrophobicContact CB-CB 4.31Å; D492-R508 PolarHBondContact N-O 3.46Å; D492-R508 PolarHBondContact O-N 2.55Å; R508-L510 VanDerWaalsContact C-N 3.26Å; R508-L510 PolarHBondContact O-N 3.46Å; R508-Q545 HydrophobicContact CG-CB 3.82Å; R508-Q545 VanDerWaalsContact NH2-OE1 3.11Å
509N90.5Very high88.6Confident58 Ų5851.8 Ų51.831%0.3128%0.279SS..  trans64.318.7175.6-49.7-33000115.5C489 P490 E511 A512C489-N509 HydrophobicContact CB-CB 4.45Å; P490-N509 PolarHBondContact O-ND2 3.02Å; N509-E511 VanDerWaalsContact C-N 3.26Å; N509-E511 PolarHBondContact O-N 3.44Å; N509-A512 VanDerWaalsContact O-CB 3.3Å; N509-A512 WeakPolarHBondContact O-CB 3.24Å; N509-A512 PolarHBondContact O-N 3.13Å; N509-A512 VanDerWaalsContact O-N 3.08Å
510L89.4Confident89.2Confident2 Ų249.3 Ų49.31%0.0126%0.258CS..G310 helixtrans-55.7-42.5175.3-66.7174000112I491 V507 R508 A512 Y513 G514 L515 V520 V546I491-L510 HydrophobicContact CD1-CD2 4.2Å; I491-L510 HydrophobicContact CG2-CD2 4.04Å; V507-L510 HydrophobicContact CG1-CD1 4.24Å; V507-L510 HydrophobicContact CG1-CD2 3.84Å; V507-L510 HydrophobicContact CG1-CG 4.04Å; R508-L510 VanDerWaalsContact C-N 3.26Å; R508-L510 PolarHBondContact O-N 3.46Å; L510-A512 PolarHBondContact O-N 3.32Å; L510-A512 VanDerWaalsContact O-N 3.12Å; L510-Y513 PolarHBondContact O-N 3.27Å; L510-G514 PolarHBondContact O-N 3.49Å; L510-L515 CarbonylContact C-O 3.59Å; L510-L515 HydrophobicContact CB-CB 4.06Å; L510-L515 HydrophobicContact CD2-CB 4.48Å; L510-L515 HydrophobicContact CD2-CD1 4.01Å; L510-L515 PolarHBondContact O-N 3.48Å; L510-V520 HydrophobicContact CD1-CB 4.21Å; L510-V520 HydrophobicContact CD1-CG1 3.88Å; L510-V520 HydrophobicContact CD1-CG2 4.5Å; L510-V546 HydrophobicContact CD1-CB 4.42Å; L510-V546 HydrophobicContact CD1-CG2 3.6Å
511E87.4Confident89.8Confident72 Ų7244.5 Ų44.534%0.33623%0.225SC..G310 helixtrans-59.2-23.7178.2-59.2159.8158.500113.3N509 Y513 G514 P517 S543 L544N509-E511 VanDerWaalsContact C-N 3.26Å; N509-E511 PolarHBondContact O-N 3.44Å; E511-Y513 PolarHBondContact O-N 2.94Å; E511-G514 PolarHBondContact O-N 2.99Å; E511-P517 HydrophobicContact CG-CG 3.87Å; E511-S543 WeakPolarHBondContact OE2-CA 3.2Å; E511-L544 WeakPolarHBondContact OE1-CB 3.42Å; E511-L544 WeakPolarHBondContact OE1-CG 3.28Å; E511-L544 PolarHBondContact OE1-N 3.04Å; E511-L544 VanDerWaalsContact OE1-N 3.08Å; E511-L544 PolarHBondContact OE2-N 2.91Å
512A86.3Confident90.2Very high15 Ų1540.1 Ų40.112%0.12421%0.209CC..G310 helixtrans-69.4-23.3175.800000112.5N509 L510N509-A512 VanDerWaalsContact O-CB 3.3Å; N509-A512 WeakPolarHBondContact O-CB 3.24Å; N509-A512 PolarHBondContact O-N 3.13Å; N509-A512 VanDerWaalsContact O-N 3.08Å; L510-A512 PolarHBondContact O-N 3.32Å; L510-A512 VanDerWaalsContact O-N 3.12Å
513Y87.8Confident90.3Very high0 Ų036.3 Ų36.30%020%0.195CC..G310 helixtrans-106.313.1178.7-63.4-90.1000112.2Y376 I381 F476 I488 C489 I491 L510 E511 L515 L566 H570Y376-Y513 PolarHBondContact OH-O 3.5Å; I381-Y513 HydrophobicContact CD1-CD1 3.9Å; I381-Y513 HydrophobicContact CD1-CE1 3.64Å; F476-Y513 WeakPolarHBondContact CE1-O 3.47Å; I488-Y513 HydrophobicContact CD1-CE1 3.82Å; I488-Y513 WeakPolarHBondContact CD1-OH 3.25Å; C489-Y513 WeakPolarHBondContact O-CE2 3.26Å; C489-Y513 PolarHBondContact O-OH 3.47Å; I491-Y513 HydrophobicContact CD1-CD2 3.86Å; I491-Y513 HydrophobicContact CD1-CE2 4.33Å; I491-Y513 HydrophobicContact CD1-CG 4.2Å; I491-Y513 HydrophobicContact CG1-CD2 3.49Å; I491-Y513 VanDerWaalsContact CG1-CD2 3.49Å; I491-Y513 HydrophobicContact CG1-CE2 3.6Å; I491-Y513 HydrophobicContact CG1-CG 4.31Å; L510-Y513 PolarHBondContact O-N 3.27Å; E511-Y513 PolarHBondContact O-N 2.94Å; Y513-L515 PolarHBondContact O-N 3.14Å; Y513-L566 HydrophobicContact CD1-CD2 4.06Å; Y513-H570 HydrophobicContact CE1-CB 3.72Å; Y513-H570 AromaticContact CE1-CG 3.76Å; Y513-H570 AromaticContact CZ-CG 3.98Å; Y513-H570 VanDerWaalsContact OH-CB 3.29Å; Y513-H570 WeakPolarHBondContact OH-CB 3.42Å; Y513-H570 PolarHBondContact OH-ND1 2.73Å
514G84.7Confident90.3Very high44 Ų4431.2 Ų31.245%0.45417%0.173SC..THydrogen-bonded Turntrans69.79.2-179.800000114.9L510 E511L510-G514 PolarHBondContact O-N 3.49Å; E511-G514 PolarHBondContact O-N 2.99Å
515L88.1Confident90.2Very high6 Ų635.3 Ų35.33%0.03119%0.19CC..  trans-79.4122.2175.7-69.7171.9000109.8Y376 I491 L510 Y513 P517 V520 L560 Y564 L566Y376-L515 HydrophobicContact CD1-CD2 4.4Å; Y376-L515 HydrophobicContact CD2-CD2 3.51Å; Y376-L515 HydrophobicContact CD2-CG 4.43Å; Y376-L515 HydrophobicContact CE1-CD2 4.29Å; Y376-L515 HydrophobicContact CE2-CD2 3.38Å; Y376-L515 HydrophobicContact CE2-CG 3.83Å; Y376-L515 HydrophobicContact CG-CD2 4.01Å; I491-L515 HydrophobicContact CD1-CD1 4.2Å; L510-L515 CarbonylContact C-O 3.59Å; L510-L515 HydrophobicContact CB-CB 4.06Å; L510-L515 HydrophobicContact CD2-CB 4.48Å; L510-L515 HydrophobicContact CD2-CD1 4.01Å; L510-L515 PolarHBondContact O-N 3.48Å; Y513-L515 PolarHBondContact O-N 3.14Å; L515-P517 WeakPolarHBondContact O-CD 3.09Å; L515-V520 HydrophobicContact CB-CG2 4.1Å; L515-V520 HydrophobicContact CD2-CG2 4.39Å; L515-L560 HydrophobicContact CD1-CD2 4.16Å; L515-Y564 HydrophobicContact CD1-CD2 4.12Å; L515-Y564 HydrophobicContact CD1-CE2 4.3Å; L515-Y564 HydrophobicContact CD2-CD1 4.16Å; L515-Y564 HydrophobicContact CD2-CD2 3.86Å; L515-Y564 HydrophobicContact CD2-CE1 4Å; L515-Y564 HydrophobicContact CD2-CE2 3.69Å; L515-Y564 HydrophobicContact CD2-CG 4.09Å; L515-L566 HydrophobicContact CD1-CD1 4.12Å
516D87.4Confident90Very high80 Ų8043.3 Ų43.343%0.42823%0.228SC..  trans-70.7123.3174173.254.7000111.1Y518 S519 V520D516-Y518 PolarHBondContact O-N 3.09Å; D516-Y518 WeakPolarHBondContact OD2-CA 3.42Å; D516-Y518 WeakPolarHBondContact OD2-CB 3.14Å; D516-Y518 PolarHBondContact OD2-N 2.95Å; D516-Y518 VanDerWaalsContact OD2-N 3.11Å; D516-S519 PolarHBondContact OD2-N 3.08Å; D516-V520 WeakPolarHBondContact O-CB 3.29Å; D516-V520 WeakPolarHBondContact O-CG2 3.31Å; D516-V520 PolarHBondContact O-N 3.1Å
517P90.7Very high89.8Confident4 Ų448.8 Ų48.83%0.02625%0.248CC..Hα-helixtrans-60.1-26.5179.4-27.437.6000114.7E511 L515 A521 V534 L544 V546E511-P517 HydrophobicContact CG-CG 3.87Å; L515-P517 WeakPolarHBondContact O-CD 3.09Å; P517-A521 WeakPolarHBondContact O-CB 3.31Å; P517-A521 PolarHBondContact O-N 3.21Å; P517-V534 HydrophobicContact CB-CG1 4.04Å; P517-L544 HydrophobicContact CB-CB 4.07Å; P517-L544 HydrophobicContact CB-CD1 4.28Å; P517-L544 HydrophobicContact CG-CB 3.86Å; P517-L544 HydrophobicContact CG-CD1 4.1Å; P517-V546 HydrophobicContact CB-CG2 3.95Å; P517-V546 VanDerWaalsContact O-CG2 3.28Å; P517-V546 WeakPolarHBondContact O-CG2 3.44Å
518Y88.9Confident89.5Confident141 Ų14149.5 Ų49.555%0.55325%0.253SS*.Hα-helixtrans-80.5-47.2-179.4-65.6-86.8000112.2D516 A521 A522 V534 L544D516-Y518 PolarHBondContact O-N 3.09Å; D516-Y518 WeakPolarHBondContact OD2-CA 3.42Å; D516-Y518 WeakPolarHBondContact OD2-CB 3.14Å; D516-Y518 PolarHBondContact OD2-N 2.95Å; D516-Y518 VanDerWaalsContact OD2-N 3.11Å; Y518-A521 WeakPolarHBondContact O-CB 3.36Å; Y518-A521 PolarHBondContact O-N 2.97Å; Y518-A521 VanDerWaalsContact O-N 3.17Å; Y518-A522 PolarHBondContact O-N 2.88Å; Y518-V534 HydrophobicContact CD1-CB 4.12Å; Y518-V534 HydrophobicContact CD1-CG1 4.48Å; Y518-V534 HydrophobicContact CD1-CG2 3.75Å; Y518-V534 HydrophobicContact CE1-CB 3.78Å; Y518-V534 HydrophobicContact CE1-CG1 4.05Å; Y518-V534 HydrophobicContact CE1-CG2 3.96Å; Y518-V534 HydrophobicContact CE2-CG1 4.26Å; Y518-V534 HydrophobicContact CG-CG2 4.25Å; Y518-L544 HydrophobicContact CE2-CD1 3.73Å
519S89.8Confident89.4Confident21 Ų2154.8 Ų54.815%0.14728%0.281CS..Hα-helixtrans-58-47.7171.8172.20000110.9E373 D516 A521 A522 I523E373-S519 WeakPolarHBondContact OE1-CB 3.23Å; E373-S519 PolarHBondContact OE1-OG 3.23Å; E373-S519 PolarHBondContact OE2-OG 2.95Å; D516-S519 PolarHBondContact OD2-N 3.08Å; S519-A521 VanDerWaalsContact C-N 3.3Å; S519-A521 PolarHBondContact O-N 2.66Å; S519-A522 PolarHBondContact O-N 3.04Å; S519-A522 VanDerWaalsContact O-N 3.11Å; S519-I523 WeakPolarHBondContact O-CG1 3.22Å; S519-I523 PolarHBondContact O-N 3.08Å
520V91.4Very high89.4Confident1 Ų153 Ų531%0.00627%0.274CS..Hα-helixtrans-59.5-39.3174.9172.60000111.9L510 L515 D516 L524 L559 Y564L510-V520 HydrophobicContact CD1-CB 4.21Å; L510-V520 HydrophobicContact CD1-CG1 3.88Å; L510-V520 HydrophobicContact CD1-CG2 4.5Å; L515-V520 HydrophobicContact CB-CG2 4.1Å; L515-V520 HydrophobicContact CD2-CG2 4.39Å; D516-V520 WeakPolarHBondContact O-CB 3.29Å; D516-V520 WeakPolarHBondContact O-CG2 3.31Å; D516-V520 PolarHBondContact O-N 3.1Å; V520-L524 HydrophobicContact CG1-CD1 3.69Å; V520-L524 HydrophobicContact CG1-CG 4.37Å; V520-L524 WeakPolarHBondContact O-CB 3.44Å; V520-L524 WeakPolarHBondContact O-CD1 3.42Å; V520-L524 WeakPolarHBondContact O-CG 3.44Å; V520-L524 PolarHBondContact O-N 3.14Å; V520-L559 HydrophobicContact CG1-CD2 4.34Å; V520-Y564 HydrophobicContact CG2-CE2 4.17Å
521A92Very high89.5Confident6 Ų656 Ų565%0.0530%0.295CS..Hα-helixtrans-64.4-42.5175.300000112.2P517 Y518 S519 L524 Q525 T532 V534 V546P517-A521 WeakPolarHBondContact O-CB 3.31Å; P517-A521 PolarHBondContact O-N 3.21Å; Y518-A521 WeakPolarHBondContact O-CB 3.36Å; Y518-A521 PolarHBondContact O-N 2.97Å; Y518-A521 VanDerWaalsContact O-N 3.17Å; S519-A521 VanDerWaalsContact C-N 3.3Å; S519-A521 PolarHBondContact O-N 2.66Å; A521-L524 PolarHBondContact O-N 2.87Å; A521-Q525 WeakPolarHBondContact O-CB 3.43Å; A521-Q525 PolarHBondContact O-N 2.94Å; A521-T532 WeakPolarHBondContact O-CG2 3.31Å; A521-T532 PolarHBondContact O-OG1 3.13Å; A521-V534 HydrophobicContact CB-CG2 3.75Å; A521-V546 HydrophobicContact CB-CG1 3.84Å; A521-V546 HydrophobicContact CB-CG2 4.41Å
522A90.1Very high89.8Confident54 Ų5453.4 Ų53.445%0.44628%0.284SS..Hα-helixtrans-64-46.3177.900000112.2Y518 S519 L524 Q525 Q526Y518-A522 PolarHBondContact O-N 2.88Å; S519-A522 PolarHBondContact O-N 3.04Å; S519-A522 VanDerWaalsContact O-N 3.11Å; A522-L524 VanDerWaalsContact C-N 3.32Å; A522-L524 PolarHBondContact O-N 3.26Å; A522-Q525 WeakPolarHBondContact O-CB 3.47Å; A522-Q525 PolarHBondContact O-N 3.48Å; A522-Q525 VanDerWaalsContact O-N 3.16Å; A522-Q526 PolarHBondContact O-N 3.03Å; A522-Q526 VanDerWaalsContact O-N 3.11Å
523I90.4Very high90.1Very high55 Ų5555.9 Ų55.928%0.28230%0.298SS..Hα-helixtrans-59.3-45176.1-65.3163.4000110.3S519 Q525 Q526 R527 L559 Y564S519-I523 WeakPolarHBondContact O-CG1 3.22Å; S519-I523 PolarHBondContact O-N 3.08Å; I523-Q525 PolarHBondContact O-N 3.06Å; I523-Q526 PolarHBondContact O-N 2.68Å; I523-R527 WeakPolarHBondContact O-CB 3.5Å; I523-R527 PolarHBondContact O-N 2.73Å; I523-L559 HydrophobicContact CG2-CD1 3.79Å; I523-L559 HydrophobicContact CG2-CD2 4.29Å; I523-Y564 VanDerWaalsContact CD1-OH 3.29Å; I523-Y564 WeakPolarHBondContact CD1-OH 3.47Å
524L91.5Very high90.3Very high1 Ų157.5 Ų57.51%0.00531%0.307CS..Hα-helixtrans-67.8-32.7176.9-72.1169000113.1V520 A521 A522 R527 C528 T532 V546 I548 L556 L559V520-L524 HydrophobicContact CG1-CD1 3.69Å; V520-L524 HydrophobicContact CG1-CG 4.37Å; V520-L524 WeakPolarHBondContact O-CB 3.44Å; V520-L524 WeakPolarHBondContact O-CD1 3.42Å; V520-L524 WeakPolarHBondContact O-CG 3.44Å; V520-L524 PolarHBondContact O-N 3.14Å; A521-L524 PolarHBondContact O-N 2.87Å; A522-L524 VanDerWaalsContact C-N 3.32Å; A522-L524 PolarHBondContact O-N 3.26Å; L524-R527 PolarHBondContact O-N 2.65Å; L524-C528 WeakPolarHBondContact O-CB 3.21Å; L524-C528 PolarHBondContact O-N 3.49Å; L524-C528 PolarHBondContact O-SG 2.94Å; L524-T532 HydrophobicContact CB-CG2 4.12Å; L524-V546 HydrophobicContact CD1-CG1 4.45Å; L524-I548 HydrophobicContact CB-CG1 4.43Å; L524-I548 HydrophobicContact CD1-CD1 4.08Å; L524-I548 HydrophobicContact CD1-CG1 4.19Å; L524-L556 HydrophobicContact CD1-CD2 3.55Å; L524-L556 HydrophobicContact CD2-CD2 3.82Å; L524-L556 HydrophobicContact CD2-CG 4.23Å; L524-L556 HydrophobicContact CG-CD2 4.34Å; L524-L559 HydrophobicContact CD1-CD2 4.34Å; L524-L559 HydrophobicContact CD2-CD2 3.66Å; L524-L559 HydrophobicContact CG-CD2 3.78Å
525Q91.8Very high90.6Very high106 Ų10657.5 Ų57.550%0.49530%0.299SS..Hα-helixtrans-61-49.3175.4-167175.8-17.100110.8A521 A522 I523 Q529 T532A521-Q525 WeakPolarHBondContact O-CB 3.43Å; A521-Q525 PolarHBondContact O-N 2.94Å; A522-Q525 WeakPolarHBondContact O-CB 3.47Å; A522-Q525 PolarHBondContact O-N 3.48Å; A522-Q525 VanDerWaalsContact O-N 3.16Å; I523-Q525 PolarHBondContact O-N 3.06Å; Q525-Q529 WeakPolarHBondContact O-CA 3.42Å; Q525-Q529 PolarHBondContact O-N 3.28Å; Q525-T532 HydrophobicContact CB-CG2 3.99Å; Q525-T532 WeakPolarHBondContact CB-OG1 3.3Å; Q525-T532 PolarHBondContact OE1-OG1 3.19Å
526Q90.9Very high90.6Very high167 Ų16761.6 Ų61.678%0.7833%0.328SS*.Hα-helixtrans-67.4-43.9178.2-171.8177.11.900111.6A522 I523A522-Q526 PolarHBondContact O-N 3.03Å; A522-Q526 VanDerWaalsContact O-N 3.11Å; I523-Q526 PolarHBondContact O-N 2.68Å
527R89.3Confident90.4Very high119 Ų11958.5 Ų58.545%0.44931%0.313SS..Hα-helixtrans-72.1-37.9-176.3-171.662.6165.7179.8-1.6113.7I523 L524 W558I523-R527 WeakPolarHBondContact O-CB 3.5Å; I523-R527 PolarHBondContact O-N 2.73Å; L524-R527 PolarHBondContact O-N 2.65Å; R527-W558 HydrophobicContact CG-CE3 4.48Å; R527-W558 HydrophobicContact CG-CZ3 4.4Å; R527-W558 VanDerWaalsContact CZ-CZ3 3.45Å; R527-W558 VanDerWaalsContact NH2-CD2 3.32Å
528C88.4Confident89.9Confident15 Ų1562.7 Ų62.710%0.10134%0.341CS..Hα-helixtrans-92.9-8.5-178.3-52.90000113.1L524 A530 I548 Q552L524-C528 WeakPolarHBondContact O-CB 3.21Å; L524-C528 PolarHBondContact O-N 3.49Å; L524-C528 PolarHBondContact O-SG 2.94Å; C528-A530 HydrophobicContact CB-CB 4.12Å; C528-A530 PolarHBondContact O-N 2.91Å; C528-I548 HydrophobicContact CB-CG2 4.37Å; C528-Q552 HydrophobicContact CB-CG 4.08Å
529Q90.1Very high89Confident184 Ų18460.4 Ų60.486%0.8636%0.36SS*.THydrogen-bonded Turntrans48.738.9-172.5-61.7-175.3-1900112.8Q525Q525-Q529 WeakPolarHBondContact O-CA 3.42Å; Q525-Q529 PolarHBondContact O-N 3.28Å
530A90.4Very high88Confident20 Ų2062.3 Ų62.317%0.16538%0.377CS..SBendtrans-136.6152.3-171.200000110.6C528 T532 I548 Q549C528-A530 HydrophobicContact CB-CB 4.12Å; C528-A530 PolarHBondContact O-N 2.91Å; A530-T532 PolarHBondContact O-N 3.46Å; A530-I548 HydrophobicContact CB-CG2 4.29Å; A530-Q549 HydrophobicContact CB-CB 4.47Å
531S91.6Very high86.6Confident65 Ų6571 Ų7146%0.45542%0.415SS..  trans-62.5128.1176.4-178.90000110.9Q549S531-Q549 PolarHBondContact O-N 3.38Å
532T94.1Very high85.6Confident18 Ų1877.1 Ų77.111%0.1145%0.447CS..EExtended strand (participates in β ladder)trans-113.1144.2171.554.10000110.1A521 L524 Q525 A530 Q547 I548A521-T532 WeakPolarHBondContact O-CG2 3.31Å; A521-T532 PolarHBondContact O-OG1 3.13Å; L524-T532 HydrophobicContact CB-CG2 4.12Å; Q525-T532 HydrophobicContact CB-CG2 3.99Å; Q525-T532 WeakPolarHBondContact CB-OG1 3.3Å; Q525-T532 PolarHBondContact OE1-OG1 3.19Å; A530-T532 PolarHBondContact O-N 3.46Å; T532-Q547 CarbonylContact C-O 3.59Å; T532-Q547 VanDerWaalsContact CA-O 3.27Å; T532-Q547 WeakPolarHBondContact CA-O 3.4Å; T532-I548 HydrophobicContact CG2-CB 4.28Å; T532-I548 HydrophobicContact CG2-CG1 3.86Å; T532-I548 HydrophobicContact CG2-CG2 3.9Å
533T92.5Very high85.2Confident67 Ų6775.7 Ų75.741%0.41143%0.433SS..EExtended strand (participates in β ladder)trans-139.9139.8175.550.60000110.2Q547T533-Q547 PolarHBondContact N-O 2.58Å; T533-Q547 PolarHBondContact O-N 3.04Å
534V93.3Very high85.2Confident33 Ų3374.7 Ų74.720%0.243%0.428CS..EExtended strand (participates in β ladder)trans-99133.4173.3-174.20000108.2P517 Y518 A521 L544 V546P517-V534 HydrophobicContact CB-CG1 4.04Å; Y518-V534 HydrophobicContact CD1-CB 4.12Å; Y518-V534 HydrophobicContact CD1-CG1 4.48Å; Y518-V534 HydrophobicContact CD1-CG2 3.75Å; Y518-V534 HydrophobicContact CE1-CB 3.78Å; Y518-V534 HydrophobicContact CE1-CG1 4.05Å; Y518-V534 HydrophobicContact CE1-CG2 3.96Å; Y518-V534 HydrophobicContact CE2-CG1 4.26Å; Y518-V534 HydrophobicContact CG-CG2 4.25Å; A521-V534 HydrophobicContact CB-CG2 3.75Å; V534-L544 HydrophobicContact CG1-CB 4.03Å; V534-L544 HydrophobicContact CG1-CD1 4.05Å; V534-L544 HydrophobicContact CG1-CD2 4.32Å; V534-L544 HydrophobicContact CG1-CG 4.37Å; V534-V546 HydrophobicContact CG2-CG2 4.46Å
535T89.4Confident85.3Confident44 Ų4475.3 Ų75.327%0.2743%0.431SS..EExtended strand (participates in β ladder)trans-141.8158.6-178.759.10000109.8L544 Q545 Q547T535-L544 WeakPolarHBondContact O-CA 3.42Å; T535-Q545 PolarHBondContact N-O 3.48Å; T535-Q545 WeakPolarHBondContact O-CG 3.29Å; T535-Q545 PolarHBondContact O-N 2.7Å; T535-Q545 WeakPolarHBondContact OG1-CG 2.77Å; T535-Q545 PolarHBondContact OG1-NE2 3.33Å; T535-Q545 VanDerWaalsContact OG1-NE2 3.17Å; T535-Q545 PolarHBondContact OG1-O 2.86Å; T535-Q547 PolarHBondContact OG1-NE2 3.44Å
536S87.6Confident85.4Confident93 Ų9370.2 Ų70.265%0.6541%0.407SS*.EExtended strand (participates in β ladder)trans-62.3138.1170.7-50.50000111.1S543 Q545S536-S543 WeakPolarHBondContact CA-O 3.37Å; S536-Q545 PolarHBondContact O-NE2 3.46Å
537A84.6Confident85.6Confident14 Ų1462.9 Ų62.912%0.11637%0.373CS..PPolyproline II helixtrans-82.7145.2177.500000111.2S543 Q545A537-S543 PolarHBondContact N-O 2.88Å; A537-Q545 HydrophobicContact CB-CB 3.99Å; A537-Q545 HydrophobicContact CB-CG 4.18Å
538P80.1Confident85.8Confident93 Ų9357.2 Ų57.260%0.60435%0.351SS*.THydrogen-bonded Turntrans-68.8136.3173.9-1731.2000111.8
539G70.6Confident86Confident92 Ų9261.9 Ų61.995%0.94837%0.372SS*.THydrogen-bonded Turntrans99.5-12.5164.200000116.9
540A68.5Low86.1Confident62 Ų6254.1 Ų54.151%0.51234%0.342SS..SBendtrans-130.7149.7171.200000110.9S543A540-S543 WeakPolarHBondContact CB-OG 3.48Å
541K62.3Low86.1Confident184 Ų18455.2 Ų55.280%0.835%0.345SS*.THydrogen-bonded Turntrans-79.3132.2-179.6-169.8-176.1172.4-176.20109.3S543K541-S543 PolarHBondContact O-N 2.94Å
542D69.4Low86.1Confident134 Ų13453.7 Ų53.772%0.71733%0.33SS*.THydrogen-bonded Turntrans62.112177.1-50.8-39.5000116
543S83.4Confident86Confident23 Ų2352.9 Ų52.916%0.16133%0.325CS..  trans-84.7144.7172.961.30000112.7E511 S536 A537 A540 K541E511-S543 WeakPolarHBondContact OE2-CA 3.2Å; S536-S543 WeakPolarHBondContact CA-O 3.37Å; A537-S543 PolarHBondContact N-O 2.88Å; A540-S543 WeakPolarHBondContact CB-OG 3.48Å; K541-S543 PolarHBondContact O-N 2.94Å
544L90.3Very high86Confident35 Ų3554.5 Ų54.518%0.18333%0.328CS..EExtended strand (participates in β ladder)trans-109.5153.4-178.3-58.4175.3000112.6E511 P517 Y518 V534 T535E511-L544 WeakPolarHBondContact OE1-CB 3.42Å; E511-L544 WeakPolarHBondContact OE1-CG 3.28Å; E511-L544 PolarHBondContact OE1-N 3.04Å; E511-L544 VanDerWaalsContact OE1-N 3.08Å; E511-L544 PolarHBondContact OE2-N 2.91Å; P517-L544 HydrophobicContact CB-CB 4.07Å; P517-L544 HydrophobicContact CB-CD1 4.28Å; P517-L544 HydrophobicContact CG-CB 3.86Å; P517-L544 HydrophobicContact CG-CD1 4.1Å; Y518-L544 HydrophobicContact CE2-CD1 3.73Å; V534-L544 HydrophobicContact CG1-CB 4.03Å; V534-L544 HydrophobicContact CG1-CD1 4.05Å; V534-L544 HydrophobicContact CG1-CD2 4.32Å; V534-L544 HydrophobicContact CG1-CG 4.37Å; T535-L544 WeakPolarHBondContact O-CA 3.42Å
545Q92.7Very high85.8Confident13 Ų1356 Ų566%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-131.1137.5171.765.6-176.6-2.100110V506 V507 R508 T535 S536 A537 Q547V506-Q545 HydrophobicContact CG1-CB 4.2Å; V506-Q545 HydrophobicContact CG1-CG 4.24Å; V507-Q545 CarbonylContact O-C 3.58Å; V507-Q545 VanDerWaalsContact O-CA 3.22Å; V507-Q545 WeakPolarHBondContact O-CA 3.48Å; V507-Q545 WeakPolarHBondContact O-CB 3.32Å; R508-Q545 HydrophobicContact CG-CB 3.82Å; R508-Q545 VanDerWaalsContact NH2-OE1 3.11Å; T535-Q545 PolarHBondContact N-O 3.48Å; T535-Q545 WeakPolarHBondContact O-CG 3.29Å; T535-Q545 PolarHBondContact O-N 2.7Å; T535-Q545 WeakPolarHBondContact OG1-CG 2.77Å; T535-Q545 PolarHBondContact OG1-NE2 3.33Å; T535-Q545 VanDerWaalsContact OG1-NE2 3.17Å; T535-Q545 PolarHBondContact OG1-O 2.86Å; S536-Q545 PolarHBondContact O-NE2 3.46Å; A537-Q545 HydrophobicContact CB-CB 3.99Å; A537-Q545 HydrophobicContact CB-CG 4.18Å; Q545-Q547 VanDerWaalsContact NE2-NE2 3.2Å
546V94.9Very high85.9Confident0 Ų053.9 Ų53.90%032%0.32CS..EExtended strand (participates in β ladder)trans-91.8133175.5-177.80000108.7V506 V507 L510 P517 A521 L524 V534 I548V506-V546 CarbonylContact C-O 3.49Å; V506-V546 WeakPolarHBondContact CA-O 3.42Å; V507-V546 HydrophobicContact CB-CB 4.45Å; V507-V546 PolarHBondContact N-O 3.04Å; V507-V546 PolarHBondContact O-N 2.86Å; L510-V546 HydrophobicContact CD1-CB 4.42Å; L510-V546 HydrophobicContact CD1-CG2 3.6Å; P517-V546 HydrophobicContact CB-CG2 3.95Å; P517-V546 VanDerWaalsContact O-CG2 3.28Å; P517-V546 WeakPolarHBondContact O-CG2 3.44Å; A521-V546 HydrophobicContact CB-CG1 3.84Å; A521-V546 HydrophobicContact CB-CG2 4.41Å; L524-V546 HydrophobicContact CD1-CG1 4.45Å; V534-V546 HydrophobicContact CG2-CG2 4.46Å; V546-I548 HydrophobicContact CG1-CD1 3.99Å; V546-I548 HydrophobicContact CG1-CG1 4.21Å
547Q93.9Very high86Confident12 Ų1250 Ų506%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-120.6123.2179.8-55.5178.23.800109.1V504 T505 V506 T532 T533 T535 Q545V504-Q547 HydrophobicContact CG1-CB 4.1Å; T505-Q547 CarbonylContact O-C 3.54Å; T505-Q547 WeakPolarHBondContact O-CA 3.18Å; V506-Q547 HydrophobicContact CG1-CG 4.27Å; V506-Q547 HydrophobicContact CG2-CG 4.2Å; T532-Q547 CarbonylContact C-O 3.59Å; T532-Q547 VanDerWaalsContact CA-O 3.27Å; T532-Q547 WeakPolarHBondContact CA-O 3.4Å; T533-Q547 PolarHBondContact N-O 2.58Å; T533-Q547 PolarHBondContact O-N 3.04Å; T535-Q547 PolarHBondContact OG1-NE2 3.44Å; Q545-Q547 VanDerWaalsContact NE2-NE2 3.2Å
548I94.7Very high86.3Confident0 Ų051.8 Ų51.80%030%0.298CS..EExtended strand (participates in β ladder)trans-117.6131.6-177.7-46.592.1000109.3V504 T505 V507 L524 C528 A530 T532 V546 Q552 L556V504-I548 WeakPolarHBondContact CA-O 3.24Å; V504-I548 WeakPolarHBondContact CG1-O 3.32Å; T505-I548 PolarHBondContact N-O 3.39Å; T505-I548 PolarHBondContact O-N 2.97Å; V507-I548 HydrophobicContact CG2-CD1 3.86Å; L524-I548 HydrophobicContact CB-CG1 4.43Å; L524-I548 HydrophobicContact CD1-CD1 4.08Å; L524-I548 HydrophobicContact CD1-CG1 4.19Å; C528-I548 HydrophobicContact CB-CG2 4.37Å; A530-I548 HydrophobicContact CB-CG2 4.29Å; T532-I548 HydrophobicContact CG2-CB 4.28Å; T532-I548 HydrophobicContact CG2-CG1 3.86Å; T532-I548 HydrophobicContact CG2-CG2 3.9Å; V546-I548 HydrophobicContact CG1-CD1 3.99Å; V546-I548 HydrophobicContact CG1-CG1 4.21Å; I548-Q552 HydrophobicContact CB-CG 4.36Å; I548-Q552 HydrophobicContact CG2-CB 4.27Å; I548-Q552 HydrophobicContact CG2-CG 3.66Å; I548-L556 HydrophobicContact CD1-CD1 4.41Å
549Q92.3Very high86.8Confident113 Ų11347.6 Ų47.653%0.52827%0.271SS..EExtended strand (participates in β ladder)trans-66.7132.4177.4-174.1176.7-13.400111.6A530 S531 Q552A530-Q549 HydrophobicContact CB-CB 4.47Å; S531-Q549 PolarHBondContact O-N 3.38Å; Q549-Q552 PolarHBondContact O-NE2 3.06Å
550G90.9Very high87.7Confident22 Ų2243.2 Ų43.223%0.22723%0.225CC..SBendtrans92.8-169.7-17700000113.9K503 V504 T505K503-G550 VanDerWaalsContact O-CA 3.31Å; K503-G550 WeakPolarHBondContact O-CA 3.37Å; K503-G550 PolarHBondContact O-N 2.91Å; V504-G550 CarbonylContact C-O 3.42Å; T505-G550 PolarHBondContact N-O 2.94Å; T505-G550 VanDerWaalsContact N-O 3.14Å; T505-G550 PolarHBondContact OG1-O 3.49Å
551N91.6Very high88.8Confident43 Ų4342.3 Ų42.323%0.2321%0.212CC..  trans-102.797.3172.6-179.6-0.6000109L495 T505 V553L495-N551 HydrophobicContact CD2-CB 4.17Å; T505-N551 WeakPolarHBondContact OG1-CA 3.3Å; N551-V553 WeakPolarHBondContact OD1-CG2 3.3Å
552Q91.9Very high90Very high32 Ų3239.4 Ų39.415%0.1520%0.201CC..  trans-111.817.8-171.7-52.6-60.4-2.100113.2T505 C528 I548 Q549 H554 H555 L556T505-Q552 PolarHBondContact OG1-N 2.89Å; C528-Q552 HydrophobicContact CB-CG 4.08Å; I548-Q552 HydrophobicContact CB-CG 4.36Å; I548-Q552 HydrophobicContact CG2-CB 4.27Å; I548-Q552 HydrophobicContact CG2-CG 3.66Å; Q549-Q552 PolarHBondContact O-NE2 3.06Å; Q552-H554 PolarHBondContact O-N 2.87Å; Q552-H554 VanDerWaalsContact O-N 3.14Å; Q552-H555 PolarHBondContact O-N 3.26Å; Q552-H555 PolarHBondContact OE1-CD2 3.1Å; Q552-L556 PolarHBondContact O-N 3.31Å
553V92.1Very high90.8Very high1 Ų138.2 Ų38.21%0.00619%0.191CC..Hα-helixtrans-58.8-29.5-175.7-179.40000112.5I493 L495 T505 N551 G557 L574 A577I493-V553 HydrophobicContact CG2-CG1 4.25Å; I493-V553 HydrophobicContact CG2-CG2 3.82Å; L495-V553 HydrophobicContact CD1-CG2 4.37Å; L495-V553 HydrophobicContact CD2-CG2 3.89Å; L495-V553 HydrophobicContact CG-CG2 4.11Å; T505-V553 HydrophobicContact CG2-CG2 3.88Å; N551-V553 WeakPolarHBondContact OD1-CG2 3.3Å; V553-G557 PolarHBondContact O-N 3.18Å; V553-L574 HydrophobicContact CG1-CD2 4.27Å; V553-A577 HydrophobicContact CB-CB 4.19Å; V553-A577 HydrophobicContact CG1-CB 3.91Å
554H90.6Very high91Very high101 Ų10138.2 Ų38.247%0.46819%0.188SC..Hα-helixtrans-66.4-44.1174-173.4-80.4000112.5Q552 L556 G557 W558Q552-H554 PolarHBondContact O-N 2.87Å; Q552-H554 VanDerWaalsContact O-N 3.14Å; H554-L556 VanDerWaalsContact C-N 3.32Å; H554-G557 PolarHBondContact O-N 3.36Å; H554-W558 PolarHBondContact O-N 3.48Å
555H90.4Very high90.9Very high64 Ų6443 Ų4330%0.29621%0.209SC..Hα-helixtrans-68.2-33.3177.5-64.8-79.9000112Q552 L559Q552-H555 PolarHBondContact O-N 3.26Å; Q552-H555 PolarHBondContact OE1-CD2 3.1Å; H555-L559 WeakPolarHBondContact O-CB 3.46Å; H555-L559 PolarHBondContact O-N 3.36Å
556L91.1Very high90.7Very high1 Ų142.6 Ų42.61%0.00521%0.208CC..Hα-helixtrans-66.6-42.8169.9-76.4164.3000112.6I493 T505 V507 L524 I548 Q552 H554 W558 L559 L560I493-L556 HydrophobicContact CD1-CB 4.07Å; I493-L556 HydrophobicContact CD1-CD1 4.36Å; I493-L556 HydrophobicContact CG2-CD1 3.83Å; T505-L556 HydrophobicContact CG2-CD1 3.5Å; V507-L556 HydrophobicContact CG2-CD1 3.45Å; V507-L556 VanDerWaalsContact CG2-CD1 3.45Å; V507-L556 HydrophobicContact CG2-CD2 3.72Å; V507-L556 HydrophobicContact CG2-CG 4.25Å; L524-L556 HydrophobicContact CD1-CD2 3.55Å; L524-L556 HydrophobicContact CD2-CD2 3.82Å; L524-L556 HydrophobicContact CD2-CG 4.23Å; L524-L556 HydrophobicContact CG-CD2 4.34Å; I548-L556 HydrophobicContact CD1-CD1 4.41Å; Q552-L556 PolarHBondContact O-N 3.31Å; H554-L556 VanDerWaalsContact C-N 3.32Å; L556-W558 VanDerWaalsContact C-N 3.3Å; L556-W558 PolarHBondContact O-N 2.89Å; L556-L559 PolarHBondContact O-N 3.31Å; L556-L560 WeakPolarHBondContact O-CB 3.02Å; L556-L560 VanDerWaalsContact O-CG 3.25Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.16Å
557G90.3Very high90.3Very high11 Ų1145.5 Ų45.511%0.11323%0.226CC..Hα-helixtrans-57.8-45.1174.400000111.5V553 H554 L561V553-G557 PolarHBondContact O-N 3.18Å; H554-G557 PolarHBondContact O-N 3.36Å; G557-L561 WeakPolarHBondContact O-CB 3.35Å; G557-L561 WeakPolarHBondContact O-CG 3.41Å; G557-L561 PolarHBondContact O-N 2.94Å
558W89.7Confident90Very high51 Ų5154.3 Ų54.319%0.19326%0.259CS..Hα-helixtrans-60.3-53.3174-177.479000112.5R527 H554 L556 L560 L561 E562 E563R527-W558 HydrophobicContact CG-CE3 4.48Å; R527-W558 HydrophobicContact CG-CZ3 4.4Å; R527-W558 VanDerWaalsContact CZ-CZ3 3.45Å; R527-W558 VanDerWaalsContact NH2-CD2 3.32Å; H554-W558 PolarHBondContact O-N 3.48Å; L556-W558 VanDerWaalsContact C-N 3.3Å; L556-W558 PolarHBondContact O-N 2.89Å; W558-L560 PolarHBondContact O-N 3.4Å; W558-L561 PolarHBondContact O-N 3.39Å; W558-E562 VanDerWaalsContact CD1-OE1 3.31Å; W558-E562 PolarHBondContact NE1-OE2 3.01Å; W558-E562 WeakPolarHBondContact O-CB 3.49Å; W558-E562 PolarHBondContact O-N 2.95Å; W558-E563 HydrophobicContact CE3-CG 4.24Å; W558-E563 HydrophobicContact CH2-CG 3.39Å; W558-E563 WeakPolarHBondContact CH2-OE1 3.48Å; W558-E563 HydrophobicContact CZ2-CG 3.88Å; W558-E563 WeakPolarHBondContact CZ2-OE1 3.49Å; W558-E563 HydrophobicContact CZ3-CG 3.59Å
559L90.9Very high89.7Confident5 Ų562.1 Ų62.13%0.02629%0.293CS..Iπ-helixtrans-60.1-45.3-178.9179.565.4000112.6V520 I523 L524 H555 L556 E563 Y564V520-L559 HydrophobicContact CG1-CD2 4.34Å; I523-L559 HydrophobicContact CG2-CD1 3.79Å; I523-L559 HydrophobicContact CG2-CD2 4.29Å; L524-L559 HydrophobicContact CD1-CD2 4.34Å; L524-L559 HydrophobicContact CD2-CD2 3.66Å; L524-L559 HydrophobicContact CG-CD2 3.78Å; H555-L559 WeakPolarHBondContact O-CB 3.46Å; H555-L559 PolarHBondContact O-N 3.36Å; L556-L559 PolarHBondContact O-N 3.31Å; L559-E563 HydrophobicContact CD1-CB 4.09Å; L559-E563 HydrophobicContact CD1-CG 4.25Å; L559-E563 WeakPolarHBondContact O-CB 3.23Å; L559-Y564 HydrophobicContact CD1-CD2 4.2Å; L559-Y564 HydrophobicContact CD1-CE2 3.75Å; L559-Y564 HydrophobicContact CD2-CE2 3.98Å; L559-Y564 HydrophobicContact CG-CD2 3.93Å; L559-Y564 HydrophobicContact CG-CE2 3.62Å; L559-Y564 WeakPolarHBondContact O-CD2 3.43Å; L559-Y564 PolarHBondContact O-N 2.87Å
560L90.9Very high89.6Confident0 Ų057.5 Ų57.50%027%0.271CS..Iπ-helixtrans-76.3-32.6-176.4-61.8172.5000112.6I491 I493 L515 L556 W558 Y564 Q565 L566 I571I491-L560 HydrophobicContact CD1-CD1 4.41Å; I491-L560 HydrophobicContact CD1-CD2 3.84Å; I491-L560 HydrophobicContact CG2-CD1 4.02Å; I493-L560 HydrophobicContact CD1-CD1 3.97Å; L515-L560 HydrophobicContact CD1-CD2 4.16Å; L556-L560 WeakPolarHBondContact O-CB 3.02Å; L556-L560 VanDerWaalsContact O-CG 3.25Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.16Å; W558-L560 PolarHBondContact O-N 3.4Å; L560-Y564 HydrophobicContact CD2-CD2 4.18Å; L560-Q565 PolarHBondContact O-N 3.32Å; L560-L566 HydrophobicContact CD2-CD1 4.21Å; L560-L566 WeakPolarHBondContact O-CB 3.46Å; L560-L566 PolarHBondContact O-N 3.36Å; L560-I571 HydrophobicContact CB-CD1 3.52Å; L560-I571 HydrophobicContact CB-CG1 4.49Å; L560-I571 HydrophobicContact CD1-CD1 4.04Å; L560-I571 HydrophobicContact CD1-CG1 4.3Å; L560-I571 HydrophobicContact CD1-CG2 3.84Å; L560-I571 HydrophobicContact CG-CD1 4.42Å
561L90.1Very high89.6Confident43 Ų4357.2 Ų57.223%0.22527%0.265CS..Iπ-helixtrans-96.2-32.8-174.6-62.1177000114.8G557 W558 Q565 L566 R568 I571 L574G557-L561 WeakPolarHBondContact O-CB 3.35Å; G557-L561 WeakPolarHBondContact O-CG 3.41Å; G557-L561 PolarHBondContact O-N 2.94Å; W558-L561 PolarHBondContact O-N 3.39Å; L561-Q565 WeakPolarHBondContact O-CA 3.43Å; L561-L566 VanDerWaalsContact CD2-O 3.25Å; L561-L566 WeakPolarHBondContact CD2-O 3.48Å; L561-R568 HydrophobicContact CD1-CG 4.09Å; L561-R568 HydrophobicContact CD2-CB 4.45Å; L561-R568 HydrophobicContact CD2-CG 3.51Å; L561-R568 HydrophobicContact CG-CG 4.48Å; L561-I571 HydrophobicContact CD2-CD1 3.54Å; L561-I571 HydrophobicContact CG-CD1 4.09Å; L561-L574 HydrophobicContact CD1-CD1 4.18Å
562E87.3Confident89.7Confident123 Ų12360.2 Ų60.258%0.57528%0.277SS*.Iπ-helixtrans-100.6-52.5-175.5-63.8-178.8-147.300111.3W558 Q565W558-E562 VanDerWaalsContact CD1-OE1 3.31Å; W558-E562 PolarHBondContact NE1-OE2 3.01Å; W558-E562 WeakPolarHBondContact O-CB 3.49Å; W558-E562 PolarHBondContact O-N 2.95Å; E562-Q565 WeakPolarHBondContact O-CG 3.34Å
563E87.2Confident89.5Confident109 Ų10958.7 Ų58.751%0.50927%0.27SS..Iπ-helixtrans-73.1-56.5178.6-64.3-71.3143.300111.4W558 L559W558-E563 HydrophobicContact CE3-CG 4.24Å; W558-E563 HydrophobicContact CH2-CG 3.39Å; W558-E563 WeakPolarHBondContact CH2-OE1 3.48Å; W558-E563 HydrophobicContact CZ2-CG 3.88Å; W558-E563 WeakPolarHBondContact CZ2-OE1 3.49Å; W558-E563 HydrophobicContact CZ3-CG 3.59Å; L559-E563 HydrophobicContact CD1-CB 4.09Å; L559-E563 HydrophobicContact CD1-CG 4.25Å; L559-E563 WeakPolarHBondContact O-CB 3.23Å
564Y87Confident89.3Confident23 Ų2360.6 Ų60.69%0.0928%0.28CS..SBendtrans-86.2-3.7-178.5-61.8-39.6000114.8Y376 L515 V520 I523 L559 L560 L566Y376-Y564 AromaticContact CD1-CD1 3.43Å; Y376-Y564 HydrophobicContact CD1-CD1 3.43Å; Y376-Y564 VanDerWaalsContact CD1-CD1 3.43Å; Y376-Y564 HydrophobicContact CD1-CE1 4.28Å; Y376-Y564 AromaticContact CD1-CG 3.87Å; Y376-Y564 HydrophobicContact CD1-CG 3.87Å; Y376-Y564 HydrophobicContact CE1-CD1 4.21Å; Y376-Y564 HydrophobicContact CE1-CG 4.2Å; Y376-Y564 AromaticContact CG-CD1 3.64Å; Y376-Y564 HydrophobicContact CG-CD1 3.64Å; Y376-Y564 HydrophobicContact CG-CE1 4.04Å; Y376-Y564 HydrophobicContact CG-CG 4.4Å; L515-Y564 HydrophobicContact CD1-CD2 4.12Å; L515-Y564 HydrophobicContact CD1-CE2 4.3Å; L515-Y564 HydrophobicContact CD2-CD1 4.16Å; L515-Y564 HydrophobicContact CD2-CD2 3.86Å; L515-Y564 HydrophobicContact CD2-CE1 4Å; L515-Y564 HydrophobicContact CD2-CE2 3.69Å; L515-Y564 HydrophobicContact CD2-CG 4.09Å; V520-Y564 HydrophobicContact CG2-CE2 4.17Å; I523-Y564 VanDerWaalsContact CD1-OH 3.29Å; I523-Y564 WeakPolarHBondContact CD1-OH 3.47Å; L559-Y564 HydrophobicContact CD1-CD2 4.2Å; L559-Y564 HydrophobicContact CD1-CE2 3.75Å; L559-Y564 HydrophobicContact CD2-CE2 3.98Å; L559-Y564 HydrophobicContact CG-CD2 3.93Å; L559-Y564 HydrophobicContact CG-CE2 3.62Å; L559-Y564 WeakPolarHBondContact O-CD2 3.43Å; L559-Y564 PolarHBondContact O-N 2.87Å; L560-Y564 HydrophobicContact CD2-CD2 4.18Å; Y564-L566 PolarHBondContact O-N 3.1Å
565Q87.5Confident89.1Confident136 Ų13662.2 Ų62.264%0.63629%0.288SS*.  trans51.928.5173.5-56.9-178.713.500115L560 L561 E562L560-Q565 PolarHBondContact O-N 3.32Å; L561-Q565 WeakPolarHBondContact O-CA 3.43Å; E562-Q565 WeakPolarHBondContact O-CG 3.34Å
566L88.5Confident88.8Confident5 Ų563.1 Ų63.13%0.02629%0.291CS..  trans-72.2134.4-177.3-71175.2000111.2Y376 I491 Y513 L515 L560 L561 Y564 R568 I571Y376-L566 HydrophobicContact CE1-CD2 4.44Å; I491-L566 HydrophobicContact CD1-CD1 3.55Å; Y513-L566 HydrophobicContact CD1-CD2 4.06Å; L515-L566 HydrophobicContact CD1-CD1 4.12Å; L560-L566 HydrophobicContact CD2-CD1 4.21Å; L560-L566 WeakPolarHBondContact O-CB 3.46Å; L560-L566 PolarHBondContact O-N 3.36Å; L561-L566 VanDerWaalsContact CD2-O 3.25Å; L561-L566 WeakPolarHBondContact CD2-O 3.48Å; Y564-L566 PolarHBondContact O-N 3.1Å; L566-R568 PolarHBondContact O-N 2.88Å; L566-I571 HydrophobicContact CB-CD1 4.41Å
567P88.1Confident88.4Confident61 Ų6164.5 Ų64.540%0.39630%0.303SS..  trans-58.2131.9176.1-27.134.6000112.6K569 H570P567-K569 HydrophobicContact CB-CD 4.38Å; P567-K569 HydrophobicContact CB-CG 3.77Å; P567-K569 PolarHBondContact O-N 3.07Å; P567-H570 WeakPolarHBondContact O-CB 3.39Å; P567-H570 PolarHBondContact O-N 3.02Å
568R87.8Confident87.8Confident196 Ų19667 Ų6774%0.7432%0.316SS*.G310 helixtrans-49.5-30.7179.8-75-179-179.9-176.52114.7L561 L566 H570 I571L561-R568 HydrophobicContact CD1-CG 4.09Å; L561-R568 HydrophobicContact CD2-CB 4.45Å; L561-R568 HydrophobicContact CD2-CG 3.51Å; L561-R568 HydrophobicContact CG-CG 4.48Å; L566-R568 PolarHBondContact O-N 2.88Å; R568-H570 PolarHBondContact O-N 2.83Å; R568-H570 VanDerWaalsContact O-N 3.1Å; R568-I571 PolarHBondContact O-N 2.85Å
569K88.3Confident86.8Confident164 Ų16473.7 Ų73.771%0.71335%0.347SS*.G310 helixtrans-58.5-16174.459.9171.4177.3170.90114.7P567P567-K569 HydrophobicContact CB-CD 4.38Å; P567-K569 HydrophobicContact CB-CG 3.77Å; P567-K569 PolarHBondContact O-N 3.07Å
570H89.3Confident84.9Confident16 Ų1678.6 Ų78.67%0.07438%0.38CS..G310 helixtrans-103.86-177.9-69.9-44.5000113.8P490 I491 Y513 P567 R568P490-H570 CarbonylContact C-O 3.57Å; P490-H570 VanDerWaalsContact CA-O 3.31Å; P490-H570 WeakPolarHBondContact CA-O 3.26Å; P490-H570 WeakPolarHBondContact CB-O 3.32Å; I491-H570 PolarHBondContact N-O 3.43Å; Y513-H570 HydrophobicContact CE1-CB 3.72Å; Y513-H570 AromaticContact CE1-CG 3.76Å; Y513-H570 AromaticContact CZ-CG 3.98Å; Y513-H570 VanDerWaalsContact OH-CB 3.29Å; Y513-H570 WeakPolarHBondContact OH-CB 3.42Å; Y513-H570 PolarHBondContact OH-ND1 2.73Å; P567-H570 WeakPolarHBondContact O-CB 3.39Å; P567-H570 PolarHBondContact O-N 3.02Å; R568-H570 PolarHBondContact O-N 2.83Å; R568-H570 VanDerWaalsContact O-N 3.1Å
571I91.9Very high82.5Confident17 Ų1781.8 Ų81.89%0.08741%0.412CS..EExtended strand (participates in β ladder)trans-128.5128.5-178.7-47.3167.7000109I493 L560 L561 L566 R568 L574I493-I571 HydrophobicContact CD1-CG2 3.67Å; I493-I571 HydrophobicContact CG1-CG2 4.38Å; L560-I571 HydrophobicContact CB-CD1 3.52Å; L560-I571 HydrophobicContact CB-CG1 4.49Å; L560-I571 HydrophobicContact CD1-CD1 4.04Å; L560-I571 HydrophobicContact CD1-CG1 4.3Å; L560-I571 HydrophobicContact CD1-CG2 3.84Å; L560-I571 HydrophobicContact CG-CD1 4.42Å; L561-I571 HydrophobicContact CD2-CD1 3.54Å; L561-I571 HydrophobicContact CG-CD1 4.09Å; L566-I571 HydrophobicContact CB-CD1 4.41Å; R568-I571 PolarHBondContact O-N 2.85Å; I571-L574 HydrophobicContact CB-CD1 4.04Å; I571-L574 HydrophobicContact CB-CG 4.44Å; I571-L574 HydrophobicContact CD1-CD1 4.34Å; I571-L574 HydrophobicContact CG2-CD1 3.82Å; I571-L574 HydrophobicContact CG2-CD2 4.1Å; I571-L574 HydrophobicContact CG2-CG 3.74Å
572Q92.5Very high79.9Confident106 Ų10689.3 Ų89.350%0.49544%0.443SS..EExtended strand (participates in β ladder)trans-118.1143.8179.4-173.2171.14.100109.6P490 I491 I493P490-Q572 HydrophobicContact CB-CB 4.42Å; P490-Q572 HydrophobicContact CG-CB 4.29Å; I491-Q572 PolarHBondContact O-N 3.41Å; I493-Q572 WeakPolarHBondContact CB-O 3.26Å; I493-Q572 PolarHBondContact N-O 2.93Å
573G87.7Confident77.6Confident0 Ų093.4 Ų93.40%046%0.459CS..  trans100-5.8178.600000115.8I493 E575 K576I493-G573 WeakPolarHBondContact O-CA 3.36Å; G573-E575 WeakPolarHBondContact CA-OE1 3.36Å; G573-E575 WeakPolarHBondContact CA-OE2 3.31Å; G573-E575 PolarHBondContact N-OE2 3.47Å; G573-E575 PolarHBondContact O-N 2.91Å; G573-K576 WeakPolarHBondContact O-CB 3.04Å; G573-K576 PolarHBondContact O-N 3.31Å; G573-K576 VanDerWaalsContact O-N 3.08Å
574L88.6Confident75.1Confident41 Ų41101.4 Ų101.422%0.21549%0.492CS..G310 helixtrans-61.5-25.4176.9-66.3177.4000112.8I493 V553 L561 I571 K576 A577I493-L574 HydrophobicContact CD1-CD2 3.74Å; I493-L574 HydrophobicContact CD1-CG 4.4Å; V553-L574 HydrophobicContact CG1-CD2 4.27Å; L561-L574 HydrophobicContact CD1-CD1 4.18Å; I571-L574 HydrophobicContact CB-CD1 4.04Å; I571-L574 HydrophobicContact CB-CG 4.44Å; I571-L574 HydrophobicContact CD1-CD1 4.34Å; I571-L574 HydrophobicContact CG2-CD1 3.82Å; I571-L574 HydrophobicContact CG2-CD2 4.1Å; I571-L574 HydrophobicContact CG2-CG 3.74Å; L574-K576 PolarHBondContact O-N 2.75Å; L574-A577 VanDerWaalsContact O-CB 3.25Å; L574-A577 WeakPolarHBondContact O-CB 3.49Å; L574-A577 PolarHBondContact O-N 3.07Å; L574-A577 VanDerWaalsContact O-N 3.14Å
575E86.9Confident74.5Confident134 Ų134105.4 Ų105.463%0.62651%0.512SS*.G310 helixtrans-63.6-19175.174.9-66.9159.300113.8G573 A577G573-E575 WeakPolarHBondContact CA-OE1 3.36Å; G573-E575 WeakPolarHBondContact CA-OE2 3.31Å; G573-E575 PolarHBondContact N-OE2 3.47Å; G573-E575 PolarHBondContact O-N 2.91Å; E575-A577 VanDerWaalsContact C-N 3.27Å
576K83.8Confident73.8Confident83 Ų83103.7 Ų103.736%0.36151%0.506SS..G310 helixtrans-85.92.8177.9-60.5161.9-171.51440112.8L495 G573 L574L495-K576 HydrophobicContact CD1-CB 4Å; G573-K576 WeakPolarHBondContact O-CB 3.04Å; G573-K576 PolarHBondContact O-N 3.31Å; G573-K576 VanDerWaalsContact O-N 3.08Å; L574-K576 PolarHBondContact O-N 2.75Å
577A82.6Confident73Confident31 Ų31109.2 Ų109.226%0.25653%0.533SS..SBendtrans-57.2143176.600000112V553 L574 E575 K579V553-A577 HydrophobicContact CB-CB 4.19Å; V553-A577 HydrophobicContact CG1-CB 3.91Å; L574-A577 VanDerWaalsContact O-CB 3.25Å; L574-A577 WeakPolarHBondContact O-CB 3.49Å; L574-A577 PolarHBondContact O-N 3.07Å; L574-A577 VanDerWaalsContact O-N 3.14Å; E575-A577 VanDerWaalsContact C-N 3.27Å; A577-K579 PolarHBondContact O-N 2.9Å; A577-K579 VanDerWaalsContact O-N 3.11Å
578P77Confident72.1Confident62 Ų62112.1 Ų112.140%0.40354%0.541SS..PPolyproline II helixtrans-61.1119.416827.7-30.4000107.2
579K68.2Low71.1Confident192 Ų192106.8 Ų106.884%0.83553%0.528SS*.PPolyproline II helixtrans-55.3134178.6-66.3-177.3179.2179.30108.3A577 G581A577-K579 PolarHBondContact O-N 2.9Å; A577-K579 VanDerWaalsContact O-N 3.11Å; K579-G581 PolarHBondContact O-N 2.96Å
580P52Low70Confident109 Ų109103 Ų10371%0.70852%0.516SS*.PPolyproline II helixtrans-57116.7168.725.1-32.4000106.6K582P580-K582 PolarHBondContact O-N 3.06Å; P580-K582 VanDerWaalsContact O-N 3.09Å
581G40.8Very low68.6Low67 Ų67109.2 Ų109.269%0.69155%0.547SS*.PPolyproline II helixtrans-57.6121.417900000107.7K579 K583K579-G581 PolarHBondContact O-N 2.96Å; G581-K583 PolarHBondContact O-N 3.11Å
582K35Very low66.8Low201 Ų201116.3 Ų116.387%0.87458%0.583SS**  trans-53.9109.9165-79-172.7173.4-173.40105.8P580 K584P580-K582 PolarHBondContact O-N 3.06Å; P580-K582 VanDerWaalsContact O-N 3.09Å; K582-K584 PolarHBondContact O-N 3.25Å
583K40Very low64.7Low209 Ų209117.2 Ų117.291%0.90959%0.59SS**  trans-55.7115.5164.5-70.9-174.6175.8-178.20105.2G581G581-K583 PolarHBondContact O-N 3.11Å
584K33.7Very low62.6Low277 Ų277127.8 Ų127.8100%1.20464%0.644SS**  trans-71.60168.3-88.2-171.4169.2-1730108.8K582K582-K584 PolarHBondContact O-N 3.25Å

Retrieved 584 of 584 residues in 618.5 ms (Link to these results)

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