G4VMA5_SCHMA Loading...

Large ribosomal subunit protein uL22

AlphaFold DB , UniProt , Accession G4VMA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M64.3Low83.1Confident214 Ų214118.7 Ų118.7100%1.05458%0.579SS**  0137.60-167.6169.5-17900109.4K3M1-K3 PolarHBondContact O-N 3.16Å
2V84.4Confident82.9Confident92 Ų92112.9 Ų112.956%0.55855%0.553SS**PPolyproline II helixtrans-76123.1-180-179.60000109.2
3K87.9Confident82.8Confident174 Ų174110.9 Ų110.976%0.75754%0.541SS*.PPolyproline II helixtrans-80.9133.1-178.8-64.3-176.4177.3-175.60111.6M1 R20M1-K3 PolarHBondContact O-N 3.16Å; K3-R20 PolarHBondContact O-NH1 3.2Å
4Y91.1Very high82.7Confident44 Ų44106.8 Ų106.817%0.17354%0.542CS..PPolyproline II helixtrans-90.6154.9167-73.8-102.9000108.9W6 K18 R20 E152 I154Y4-W6 VanDerWaalsContact C-N 3.3Å; Y4-W6 WeakPolarHBondContact CB-O 3.43Å; Y4-K18 HydrophobicContact CD2-CD 4.28Å; Y4-K18 HydrophobicContact CE1-CB 3.98Å; Y4-K18 HydrophobicContact CE2-CD 3.85Å; Y4-K18 HydrophobicContact CE2-CG 4.36Å; Y4-R20 HydrophobicContact CE1-CB 4.11Å; Y4-E152 HydrophobicContact CD1-CB 3.97Å; Y4-E152 HydrophobicContact CD1-CG 4.44Å; Y4-E152 HydrophobicContact CE1-CB 3.96Å; Y4-I154 HydrophobicContact CD1-CD1 4.16Å; Y4-I154 HydrophobicContact CD1-CG1 4.35Å
5S89.5Confident82.7Confident68 Ų68105.4 Ų105.448%0.47653%0.531SS..SBendtrans-76.4-22.5176.770.90000113.4H121 Q123 E152S5-H121 PolarHBondContact OG-CE1 3.42Å; S5-H121 PolarHBondContact OG-NE2 3.37Å; S5-Q123 PolarHBondContact OG-OE1 3.15Å; S5-E152 WeakPolarHBondContact CB-OE1 3.46Å; S5-E152 PolarHBondContact N-OE1 3.31Å; S5-E152 PolarHBondContact OG-OE1 3.18Å
6W89.3Confident83.1Confident80 Ų8099.1 Ų99.130%0.30350%0.499SS..SBendtrans-128.9128.6176.8-173.489.5000107.7Y4 P8 K120 H121 I154Y4-W6 VanDerWaalsContact C-N 3.3Å; Y4-W6 WeakPolarHBondContact CB-O 3.43Å; W6-P8 HydrophobicContact CH2-CB 3.97Å; W6-P8 HydrophobicContact CZ3-CB 3.82Å; W6-P8 HydrophobicContact CZ3-CG 4.44Å; W6-K120 HydrophobicContact CH2-CD 3.65Å; W6-K120 VanDerWaalsContact CH2-CE 3.41Å; W6-K120 HydrophobicContact CZ2-CD 4.01Å; W6-K120 HydrophobicContact CZ3-CD 4.28Å; W6-H121 HydrophobicContact CB-CB 4.47Å; W6-I154 HydrophobicContact CB-CD1 4.43Å; W6-I154 HydrophobicContact CE3-CD1 3.56Å; W6-I154 HydrophobicContact CE3-CG2 4.19Å; W6-I154 HydrophobicContact CZ3-CD1 4.29Å; W6-I154 HydrophobicContact CZ3-CG2 3.9Å; W6-I154 WeakPolarHBondContact O-CD1 3.24Å
7E86.8Confident83.5Confident128 Ų12893.2 Ų93.260%0.59847%0.47SS*.  trans-115.7137175.8-67.1-175.116300108.7
8P83.9Confident84Confident22 Ų2291.6 Ų91.614%0.14346%0.459CS..  trans-62.8150.7171.129.1-33.2000109.4W6 D12 T16W6-P8 HydrophobicContact CH2-CB 3.97Å; W6-P8 HydrophobicContact CZ3-CB 3.82Å; W6-P8 HydrophobicContact CZ3-CG 4.44Å; P8-D12 HydrophobicContact CB-CB 4.21Å; P8-T16 HydrophobicContact CB-CG2 4.07Å; P8-T16 WeakPolarHBondContact CG-OG1 3.37Å
9K83.6Confident84.6Confident158 Ų15886.8 Ų86.869%0.68744%0.435SS*.  trans-64.9154165.8-61.2-176.9178.8-177.10108.7E11 D12 E13K9-E11 PolarHBondContact O-N 3.29Å; K9-E11 VanDerWaalsContact O-N 3.13Å; K9-D12 PolarHBondContact O-N 3.42Å; K9-E13 PolarHBondContact O-N 3.12Å
10D77.9Confident85.1Confident148 Ų14886 Ų8679%0.79143%0.427SS*.G310 helixtrans-53.7-38.2-176.3-59-32.6000112.6D12 E13D10-D12 VanDerWaalsContact C-N 3.26Å; D10-D12 PolarHBondContact O-N 3.49Å; D10-E13 PolarHBondContact O-N 2.79Å
11E75.8Confident85.5Confident178 Ų17883.8 Ų83.883%0.83242%0.416SS*.G310 helixtrans-61.3-30.3176.9-61.5175.1-177.400113.8K9K9-E11 PolarHBondContact O-N 3.29Å; K9-E11 VanDerWaalsContact O-N 3.13Å
12D80.4Confident87Confident49 Ų4977.1 Ų77.126%0.26239%0.389SS..G310 helixtrans-95.3-6.7-177.2-78-23.8000112.5P8 K9 D10 G14 K15 T16 K120P8-D12 HydrophobicContact CB-CB 4.21Å; K9-D12 PolarHBondContact O-N 3.42Å; D10-D12 VanDerWaalsContact C-N 3.26Å; D10-D12 PolarHBondContact O-N 3.49Å; D12-G14 VanDerWaalsContact C-N 3.25Å; D12-G14 PolarHBondContact O-N 2.98Å; D12-K15 CarbonylContact O-C 3.55Å; D12-K15 PolarHBondContact O-N 3.4Å; D12-T16 HydrophobicContact CB-CG2 4.43Å; D12-T16 WeakPolarHBondContact O-CG2 3.36Å; D12-T16 PolarHBondContact O-N 3.03Å; D12-T16 PolarHBondContact O-OG1 2.96Å; D12-K120 IonicContact OD2-NZ 3.46Å
13E81.7Confident87.5Confident87 Ų8779.3 Ų79.341%0.40739%0.388SS..G310 helixtrans-63.5-33.2-171.8-172.8166.8-159.200112.5K9 D10 K15 T16 K107K9-E13 PolarHBondContact O-N 3.12Å; D10-E13 PolarHBondContact O-N 2.79Å; E13-K15 VanDerWaalsContact C-N 3.31Å; E13-K15 PolarHBondContact O-N 3.18Å; E13-T16 WeakPolarHBondContact CA-OG1 3.35Å; E13-T16 PolarHBondContact O-N 3.32Å; E13-T16 PolarHBondContact O-OG1 3.33Å; E13-K107 PolarHBondContact O-NZ 3.49Å
14G81.6Confident87.8Confident53 Ų5372 Ų7255%0.54636%0.357SS..G310 helixtrans-67.2-30.3174.100000113.4D12D12-G14 VanDerWaalsContact C-N 3.25Å; D12-G14 PolarHBondContact O-N 2.98Å
15K83Confident88Confident86 Ų8676.7 Ų76.737%0.37438%0.375SS..G310 helixtrans-94.96.3-179.2-62.4-179178.9179.10113.5D12 E13 A156 T157 D159D12-K15 CarbonylContact O-C 3.55Å; D12-K15 PolarHBondContact O-N 3.4Å; E13-K15 VanDerWaalsContact C-N 3.31Å; E13-K15 PolarHBondContact O-N 3.18Å; K15-A156 WeakPolarHBondContact O-CA 3.47Å; K15-T157 PolarHBondContact O-N 3.06Å; K15-T157 VanDerWaalsContact O-N 3.17Å; K15-D159 IonicContact NZ-OD1 3.81Å; K15-D159 PolarHBondContact NZ-OD1 3.44Å
16T89.1Confident88.3Confident4 Ų473.6 Ų73.63%0.02535%0.353CS..EExtended strand (participates in β ladder)trans-124.2139.1-177.154.40000112.7P8 D12 E13 K107 L155 A156P8-T16 HydrophobicContact CB-CG2 4.07Å; P8-T16 WeakPolarHBondContact CG-OG1 3.37Å; D12-T16 HydrophobicContact CB-CG2 4.43Å; D12-T16 WeakPolarHBondContact O-CG2 3.36Å; D12-T16 PolarHBondContact O-N 3.03Å; D12-T16 PolarHBondContact O-OG1 2.96Å; E13-T16 WeakPolarHBondContact CA-OG1 3.35Å; E13-T16 PolarHBondContact O-N 3.32Å; E13-T16 PolarHBondContact O-OG1 3.33Å; T16-K107 WeakPolarHBondContact O-CD 3.47Å; T16-K107 PolarHBondContact O-NZ 2.8Å; T16-L155 VanDerWaalsContact CA-O 3.26Å; T16-L155 WeakPolarHBondContact CA-O 3.14Å; T16-L155 WeakPolarHBondContact CB-O 3.32Å; T16-A156 HydrophobicContact CG2-CB 3.82Å
17C89.7Confident88.6Confident0 Ų075.9 Ų75.90%037%0.367CS..EExtended strand (participates in β ladder)trans-121.5139.5172.563.40000110.8A100 I154 L155C17-A100 WeakPolarHBondContact CB-O 3.45Å; C17-A100 PolarHBondContact SG-O 3.29Å; C17-I154 CarbonylContact O-C 3.58Å; C17-I154 WeakPolarHBondContact O-CA 3.45Å; C17-L155 PolarHBondContact N-O 3.46Å; C17-L155 PolarHBondContact O-N 3.02Å; C17-L155 VanDerWaalsContact SG-CB 3.53Å
18K92Very high89.1Confident63 Ų6370.9 Ų70.927%0.27434%0.343SS..EExtended strand (participates in β ladder)trans-122.7143.7-175.163.2-169.6177.5-1640110.4Y4 N103 V153 I154Y4-K18 HydrophobicContact CD2-CD 4.28Å; Y4-K18 HydrophobicContact CE1-CB 3.98Å; Y4-K18 HydrophobicContact CE2-CD 3.85Å; Y4-K18 HydrophobicContact CE2-CG 4.36Å; K18-N103 PolarHBondContact O-ND2 3.21Å; K18-V153 WeakPolarHBondContact CA-O 3.44Å; K18-I154 HydrophobicContact CB-CG1 4.18Å
19A94.4Very high89.8Confident2 Ų275.4 Ų75.42%0.01736%0.361CS..EExtended strand (participates in β ladder)trans-146.1152.7171.200000110.3L96 A100 E152 V153A19-L96 HydrophobicContact CB-CD1 3.56Å; A19-A100 HydrophobicContact CB-CB 3.74Å; A19-E152 WeakPolarHBondContact O-CA 3.42Å; A19-V153 PolarHBondContact N-O 3.06Å; A19-V153 PolarHBondContact O-N 3.05Å
20R95Very high90.5Very high70 Ų7069.9 Ų69.926%0.26434%0.338SS..EExtended strand (participates in β ladder)trans-147.9143-177.9-179172.9174.9146.5-16.9110.7K3 Y4 V151 E152K3-R20 PolarHBondContact O-NH1 3.2Å; Y4-R20 HydrophobicContact CE1-CB 4.11Å; R20-V151 CarbonylContact C-O 3.09Å; R20-V151 VanDerWaalsContact CA-O 3.29Å; R20-V151 WeakPolarHBondContact CA-O 3.45Å; R20-V151 WeakPolarHBondContact CG-O 3.43Å; R20-E152 HydrophobicContact CB-CB 4.28Å; R20-E152 HydrophobicContact CG-CB 4.16Å; R20-E152 IonicContact CZ-OE2 2.69Å; R20-E152 IonicContact NH1-OE2 3.64Å; R20-E152 PolarHBondContact NH1-OE2 3.18Å
21I95Very high91.4Very high40 Ų4062.9 Ų62.921%0.20530%0.301CS..EExtended strand (participates in β ladder)trans-122.3113.2170.2-61169000108.3L24 L96 H150 V151I21-L24 HydrophobicContact CG2-CB 3.91Å; I21-L24 HydrophobicContact CG2-CD1 4.03Å; I21-L24 HydrophobicContact CG2-CG 4.42Å; I21-L96 HydrophobicContact CD1-CB 3.87Å; I21-L96 HydrophobicContact CD1-CD1 3.95Å; I21-L96 HydrophobicContact CD1-CD2 4.43Å; I21-L96 HydrophobicContact CD1-CG 4.31Å; I21-L96 HydrophobicContact CG1-CD1 3.85Å; I21-H150 WeakPolarHBondContact O-CA 3.15Å; I21-V151 PolarHBondContact N-O 3.04Å; I21-V151 PolarHBondContact O-N 3.12Å
22P94.3Very high92.5Very high74 Ų7455.4 Ų55.448%0.48127%0.266SS..EExtended strand (participates in β ladder)trans-82.7153.5172.335-34.4000111.6L24 H150P22-L24 PolarHBondContact O-N 3.34Å; P22-L24 VanDerWaalsContact O-N 3.1Å; P22-H150 VanDerWaalsContact CA-ND1 3.35Å; P22-H150 WeakPolarHBondContact CA-ND1 3.23Å
23Y95.4Very high93.3Very high137 Ų13753.3 Ų53.354%0.53726%0.255SS..EExtended strand (participates in β ladder)trans53.133.5171.8-60.2-81000115.2R25 A127 P128 H150Y23-R25 PolarHBondContact O-N 2.96Å; Y23-A127 HydrophobicContact CD1-CB 4.22Å; Y23-P128 HydrophobicContact CE1-CG 3.95Å; Y23-H150 AromaticContact CD1-CE1 3.87Å; Y23-H150 AromaticContact CD2-CE1 3.81Å; Y23-H150 AromaticContact CE1-CE1 3.88Å; Y23-H150 AromaticContact CE2-CE1 3.79Å; Y23-H150 AromaticContact CG-CE1 3.83Å; Y23-H150 AromaticContact CZ-CE1 3.82Å; Y23-H150 PolarHBondContact N-CE1 3.35Å; Y23-H150 PolarHBondContact N-ND1 2.94Å; Y23-H150 VanDerWaalsContact N-ND1 3.14Å
24L95.2Very high94.1Very high20 Ų2049.2 Ų49.211%0.10524%0.235CC..EExtended strand (participates in β ladder)trans-65.8123.3-179.4-177.467.9000110.5I21 P22 T26 M31 M92 P148 C149 V151I21-L24 HydrophobicContact CG2-CB 3.91Å; I21-L24 HydrophobicContact CG2-CD1 4.03Å; I21-L24 HydrophobicContact CG2-CG 4.42Å; P22-L24 PolarHBondContact O-N 3.34Å; P22-L24 VanDerWaalsContact O-N 3.1Å; L24-T26 HydrophobicContact CD2-CG2 4.01Å; L24-T26 VanDerWaalsContact CD2-OG1 3.3Å; L24-T26 WeakPolarHBondContact CD2-OG1 3.49Å; L24-T26 HydrophobicContact CG-CG2 4.01Å; L24-T26 PolarHBondContact O-N 3.24Å; L24-M31 HydrophobicContact CD2-CE 3.54Å; L24-M92 HydrophobicContact CD1-CB 4.19Å; L24-M92 HydrophobicContact CD1-CG 3.84Å; L24-M92 HydrophobicContact CD1-SD 3.68Å; L24-M92 HydrophobicContact CD2-CB 3.71Å; L24-M92 HydrophobicContact CD2-CG 4.03Å; L24-M92 HydrophobicContact CG-CG 4.37Å; L24-P148 VanDerWaalsContact O-CA 3.29Å; L24-P148 WeakPolarHBondContact O-CA 3.45Å; L24-P148 VanDerWaalsContact O-CB 3.23Å; L24-P148 WeakPolarHBondContact O-CB 3.48Å; L24-C149 WeakPolarHBondContact CB-O 3.48Å; L24-C149 PolarHBondContact N-O 3.01Å; L24-C149 PolarHBondContact O-N 3.49Å; L24-V151 HydrophobicContact CD2-CG2 4.14Å
25R94.7Very high94.9Very high143 Ų14346.9 Ų46.954%0.5421%0.211SC..  trans-79.659.1-179.2-163.7176175.2174.5-2.1112.3Y23 K88Y23-R25 PolarHBondContact O-N 2.96Å; R25-K88 VanDerWaalsContact O-CE 3.29Å; R25-K88 WeakPolarHBondContact O-CE 3.42Å; R25-K88 PolarHBondContact O-NZ 3.34Å
26T94.9Very high95.5Very high3 Ų346.1 Ų46.12%0.01822%0.216CC..SBendtrans-120.7160.3170.749.10000110.5L24 F28 M31 K88 M92 C149L24-T26 HydrophobicContact CD2-CG2 4.01Å; L24-T26 VanDerWaalsContact CD2-OG1 3.3Å; L24-T26 WeakPolarHBondContact CD2-OG1 3.49Å; L24-T26 HydrophobicContact CG-CG2 4.01Å; L24-T26 PolarHBondContact O-N 3.24Å; T26-F28 PolarHBondContact O-N 2.78Å; T26-F28 VanDerWaalsContact O-N 3.17Å; T26-M31 HydrophobicContact CG2-CE 4.24Å; T26-K88 HydrophobicContact CG2-CD 3.99Å; T26-K88 HydrophobicContact CG2-CG 3.91Å; T26-M92 HydrophobicContact CG2-CB 4.43Å; T26-M92 HydrophobicContact CG2-CG 3.69Å; T26-C149 PolarHBondContact OG1-SG 2.78Å
27H96.8Very high95.9Very high129 Ų12946.2 Ų46.260%0.59722%0.217SC*.  trans-66.9115.7174.4-74.4-100.3000110.1K29 N30 M31H27-K29 VanDerWaalsContact C-N 3.28Å; H27-K29 PolarHBondContact O-N 2.76Å; H27-N30 HydrophobicContact CB-CB 4.18Å; H27-N30 PolarHBondContact O-N 3.22Å; H27-N30 VanDerWaalsContact O-N 3.14Å; H27-M31 PolarHBondContact O-N 3.36Å
28F97.5Very high96.2Very high22 Ų2246.3 Ų46.310%0.09622%0.217CC..Hα-helixtrans-46-49.1177.4168.4-100.8000113.2T26 N30 M31 H32 F65 V124 Q126 S147 C149T26-F28 PolarHBondContact O-N 2.78Å; T26-F28 VanDerWaalsContact O-N 3.17Å; F28-N30 PolarHBondContact O-N 2.69Å; F28-M31 PolarHBondContact O-N 3.49Å; F28-H32 WeakPolarHBondContact O-CB 3.4Å; F28-H32 PolarHBondContact O-N 2.75Å; F28-F65 HydrophobicContact CE1-CE2 4.1Å; F28-F65 AromaticContact CE1-CZ 3.88Å; F28-F65 HydrophobicContact CE1-CZ 3.88Å; F28-V124 HydrophobicContact CD2-CG1 3.77Å; F28-V124 HydrophobicContact CE2-CB 4.48Å; F28-V124 HydrophobicContact CE2-CG1 3.85Å; F28-V124 WeakPolarHBondContact CE2-O 3.44Å; F28-Q126 HydrophobicContact CD1-CG 3.79Å; F28-Q126 HydrophobicContact CD2-CB 4.38Å; F28-Q126 HydrophobicContact CD2-CG 3.63Å; F28-Q126 HydrophobicContact CE1-CG 3.71Å; F28-Q126 HydrophobicContact CE2-CB 4.44Å; F28-Q126 HydrophobicContact CE2-CG 3.54Å; F28-Q126 HydrophobicContact CG-CG 3.77Å; F28-Q126 HydrophobicContact CZ-CG 3.58Å; F28-S147 PolarHBondContact N-O 2.93Å; F28-C149 HydrophobicContact CB-CB 4.29Å; F28-C149 HydrophobicContact CD2-CB 3.97Å
29K97.9Very high96.4Very high118 Ų11848.9 Ų48.951%0.51323%0.229SC..Hα-helixtrans-59.9-46.7-177.9-65.4-175174.3-173.40112.3H27 H32 E33 F65H27-K29 VanDerWaalsContact C-N 3.28Å; H27-K29 PolarHBondContact O-N 2.76Å; K29-H32 PolarHBondContact O-N 3.36Å; K29-E33 WeakPolarHBondContact O-CG 3.38Å; K29-E33 PolarHBondContact O-N 3.46Å; K29-F65 HydrophobicContact CB-CB 4Å; K29-F65 HydrophobicContact CB-CD1 4.44Å; K29-F65 HydrophobicContact CB-CD2 3.69Å; K29-F65 HydrophobicContact CB-CE2 4.26Å; K29-F65 HydrophobicContact CB-CG 3.78Å; K29-F65 HydrophobicContact CD-CB 4.05Å; K29-F65 HydrophobicContact CD-CD1 3.73Å; K29-F65 HydrophobicContact CD-CD2 4.49Å; K29-F65 HydrophobicContact CD-CE1 4.29Å; K29-F65 HydrophobicContact CD-CG 3.83Å; K29-F65 HydrophobicContact CG-CB 4.23Å; K29-F65 HydrophobicContact CG-CD1 3.82Å; K29-F65 HydrophobicContact CG-CD2 3.83Å; K29-F65 HydrophobicContact CG-CE1 4.08Å; K29-F65 HydrophobicContact CG-CE2 4.09Å; K29-F65 HydrophobicContact CG-CG 3.68Å; K29-F65 HydrophobicContact CG-CZ 4.21Å
30N97.8Very high96.4Very high42 Ų4251.3 Ų51.323%0.22525%0.254CS..Hα-helixtrans-65.7-43.2178.2-65.3-8000110.8H27 F28 H32 E33 C34 F62 P86H27-N30 HydrophobicContact CB-CB 4.18Å; H27-N30 PolarHBondContact O-N 3.22Å; H27-N30 VanDerWaalsContact O-N 3.14Å; F28-N30 PolarHBondContact O-N 2.69Å; N30-H32 VanDerWaalsContact C-N 3.31Å; N30-H32 PolarHBondContact O-N 3.31Å; N30-E33 PolarHBondContact O-N 3.45Å; N30-C34 PolarHBondContact O-N 3.21Å; N30-C34 PolarHBondContact O-SG 2.84Å; N30-F62 WeakPolarHBondContact OD1-CE1 3.33Å; N30-P86 HydrophobicContact CB-CB 3.87Å
31M98.1Very high96.4Very high1 Ų149.3 Ų49.31%0.00525%0.248CC..Hα-helixtrans-61.4-41.1178.4-175.254.781.100111.8L24 T26 H27 F28 C34 A35 S89 M92 L93 V124 V151L24-M31 HydrophobicContact CD2-CE 3.54Å; T26-M31 HydrophobicContact CG2-CE 4.24Å; H27-M31 PolarHBondContact O-N 3.36Å; F28-M31 PolarHBondContact O-N 3.49Å; M31-C34 PolarHBondContact O-N 2.91Å; M31-A35 WeakPolarHBondContact O-CB 3.2Å; M31-A35 PolarHBondContact O-N 2.88Å; M31-S89 PolarHBondContact N-OG 2.89Å; M31-M92 HydrophobicContact CE-CB 3.97Å; M31-L93 HydrophobicContact CE-CG 4.22Å; M31-L93 HydrophobicContact SD-CD1 3.85Å; M31-L93 HydrophobicContact SD-CD2 3.77Å; M31-L93 HydrophobicContact SD-CG 3.54Å; M31-L93 VanDerWaalsContact SD-CG 3.54Å; M31-V124 HydrophobicContact CB-CG1 4.08Å; M31-V124 HydrophobicContact CG-CB 4.49Å; M31-V124 HydrophobicContact CG-CG1 3.74Å; M31-V124 HydrophobicContact CG-CG2 3.84Å; M31-V151 HydrophobicContact CE-CG2 4.42Å; M31-V151 HydrophobicContact CG-CG2 3.69Å; M31-V151 HydrophobicContact SD-CG2 4.21Å
32H97.8Very high96.4Very high21 Ų2150.4 Ų50.410%0.09726%0.256CS..Hα-helixtrans-58.6-50.4175.2177-80.6000112F28 K29 N30 C34 A35 C36 R64 F65F28-H32 WeakPolarHBondContact O-CB 3.4Å; F28-H32 PolarHBondContact O-N 2.75Å; K29-H32 PolarHBondContact O-N 3.36Å; N30-H32 VanDerWaalsContact C-N 3.31Å; N30-H32 PolarHBondContact O-N 3.31Å; H32-C34 VanDerWaalsContact C-N 3.32Å; H32-C34 PolarHBondContact O-N 3.32Å; H32-A35 PolarHBondContact O-N 3.49Å; H32-C36 PolarHBondContact CE1-SG 3.09Å; H32-C36 PolarHBondContact O-N 3.45Å; H32-C36 PolarHBondContact O-SG 2.92Å; H32-C36 VanDerWaalsContact O-SG 3.35Å; H32-R64 PolarHBondContact CE1-NH1 3.4Å; H32-R64 PolarHBondContact NE2-NH1 3Å; H32-F65 HydrophobicContact CB-CD2 4.48Å; H32-F65 HydrophobicContact CB-CE2 4.03Å; H32-F65 AromaticContact CG-CE2 3.86Å; H32-F65 AromaticContact ND1-CE2 3.84Å
33E98Very high96.4Very high5 Ų547.1 Ų47.12%0.02324%0.235CC..Hα-helixtrans-62.9-38.5178.3-59.8-63.7160.900111.8K29 N30 C36 A37 I60 F62 R63 R64 F65K29-E33 WeakPolarHBondContact O-CG 3.38Å; K29-E33 PolarHBondContact O-N 3.46Å; N30-E33 PolarHBondContact O-N 3.45Å; E33-C36 PolarHBondContact O-N 3.41Å; E33-A37 WeakPolarHBondContact O-CB 3.41Å; E33-A37 PolarHBondContact O-N 2.7Å; E33-I60 HydrophobicContact CB-CG2 4.11Å; E33-F62 HydrophobicContact CB-CD2 4.32Å; E33-F62 HydrophobicContact CB-CE2 4.34Å; E33-F62 HydrophobicContact CB-CG 4.42Å; E33-F62 HydrophobicContact CB-CZ 4.47Å; E33-F62 HydrophobicContact CG-CB 4.44Å; E33-F62 HydrophobicContact CG-CD1 3.84Å; E33-F62 HydrophobicContact CG-CD2 4.39Å; E33-F62 HydrophobicContact CG-CE1 4.12Å; E33-F62 HydrophobicContact CG-CG 3.98Å; E33-R63 PolarHBondContact OE2-N 3.15Å; E33-R64 WeakPolarHBondContact OE1-CA 3.39Å; E33-R64 WeakPolarHBondContact OE1-CB 3.44Å; E33-R64 PolarHBondContact OE1-N 3Å; E33-F65 PolarHBondContact OE1-N 3.02Å
34C97.8Very high96.2Very high0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-62.9-45.9174.9-58.30000112.2N30 M31 H32 A37 V38 I60 P86 S89 L93N30-C34 PolarHBondContact O-N 3.21Å; N30-C34 PolarHBondContact O-SG 2.84Å; M31-C34 PolarHBondContact O-N 2.91Å; H32-C34 VanDerWaalsContact C-N 3.32Å; H32-C34 PolarHBondContact O-N 3.32Å; C34-A37 WeakPolarHBondContact O-CB 3.43Å; C34-A37 PolarHBondContact O-N 2.68Å; C34-V38 PolarHBondContact O-N 2.71Å; C34-I60 HydrophobicContact CB-CD1 3.85Å; C34-I60 WeakPolarHBondContact SG-CD1 3.36Å; C34-P86 WeakPolarHBondContact SG-CG 3.37Å; C34-S89 WeakPolarHBondContact SG-CB 3.3Å; C34-L93 HydrophobicContact CB-CD1 3.41Å; C34-L93 VanDerWaalsContact CB-CD1 3.41Å
35A97.5Very high96.2Very high4 Ų449.4 Ų49.43%0.03325%0.246CC..Hα-helixtrans-63.2-43.6179.900000111.6M31 H32 A37 V38 K39 I122 V124M31-A35 WeakPolarHBondContact O-CB 3.2Å; M31-A35 PolarHBondContact O-N 2.88Å; H32-A35 PolarHBondContact O-N 3.49Å; A35-A37 VanDerWaalsContact C-N 3.28Å; A35-A37 PolarHBondContact O-N 2.99Å; A35-V38 WeakPolarHBondContact O-CG2 3.43Å; A35-V38 PolarHBondContact O-N 3.25Å; A35-K39 PolarHBondContact O-N 3.32Å; A35-K39 VanDerWaalsContact O-N 3.12Å; A35-I122 HydrophobicContact CB-CD1 3.64Å; A35-I122 HydrophobicContact CB-CG1 3.83Å; A35-I122 HydrophobicContact CB-CG2 4.42Å; A35-I122 WeakPolarHBondContact O-CG2 3.5Å; A35-V124 HydrophobicContact CB-CG2 3.41Å; A35-V124 VanDerWaalsContact CB-CG2 3.41Å
36C96.8Very high96.3Very high70 Ų7042.6 Ų42.647%0.47322%0.22SC..Hα-helixtrans-61.6-36.6174.3-70.60000112.4H32 E33H32-C36 PolarHBondContact CE1-SG 3.09Å; H32-C36 PolarHBondContact O-N 3.45Å; H32-C36 PolarHBondContact O-SG 2.92Å; H32-C36 VanDerWaalsContact O-SG 3.35Å; E33-C36 PolarHBondContact O-N 3.41Å
37A97.1Very high96.4Very high7 Ų744.9 Ų44.96%0.05823%0.231CC..Hα-helixtrans-67.8-35.6179.600000113.1E33 C34 A35 M41 Y49 I60 P61 W78E33-A37 WeakPolarHBondContact O-CB 3.41Å; E33-A37 PolarHBondContact O-N 2.7Å; C34-A37 WeakPolarHBondContact O-CB 3.43Å; C34-A37 PolarHBondContact O-N 2.68Å; A35-A37 VanDerWaalsContact C-N 3.28Å; A35-A37 PolarHBondContact O-N 2.99Å; A37-M41 VanDerWaalsContact O-CE 3.24Å; A37-M41 WeakPolarHBondContact O-CE 3.45Å; A37-Y49 HydrophobicContact CB-CE1 4.06Å; A37-I60 HydrophobicContact CB-CG2 4.22Å; A37-P61 HydrophobicContact CB-CG 4.44Å; A37-W78 HydrophobicContact CB-CH2 4.45Å
38V97.1Very high96.4Very high1 Ų142.3 Ų42.31%0.00622%0.224CC..Hα-helixtrans-89.1-11.8-179.4-60.30000114C34 A35 G40 M41 A46 Y49 L50 I119 I122C34-V38 PolarHBondContact O-N 2.71Å; A35-V38 WeakPolarHBondContact O-CG2 3.43Å; A35-V38 PolarHBondContact O-N 3.25Å; V38-G40 PolarHBondContact O-N 2.96Å; V38-M41 HydrophobicContact CB-SD 4.46Å; V38-M41 HydrophobicContact CG1-SD 4.46Å; V38-M41 WeakPolarHBondContact O-CB 3.37Å; V38-M41 PolarHBondContact O-N 3.45Å; V38-M41 VanDerWaalsContact O-N 3.1Å; V38-A46 HydrophobicContact CB-CB 4.39Å; V38-Y49 HydrophobicContact CG1-CD1 3.87Å; V38-Y49 HydrophobicContact CG1-CE1 4.23Å; V38-L50 HydrophobicContact CG1-CD1 4.26Å; V38-L50 HydrophobicContact CG1-CD2 3.87Å; V38-L50 HydrophobicContact CG1-CG 4.01Å; V38-I119 HydrophobicContact CB-CD1 3.98Å; V38-I119 HydrophobicContact CG2-CD1 4.05Å; V38-I119 WeakPolarHBondContact O-CD1 3.29Å; V38-I122 HydrophobicContact CG2-CD1 3.82Å
39K95.8Very high96.4Very high118 Ų11841.2 Ų41.251%0.51322%0.22SC..THydrogen-bonded Turntrans-57.3127.4-179.3-173.4172.6-179.8175.20110.7A35 M41 I122A35-K39 PolarHBondContact O-N 3.32Å; A35-K39 VanDerWaalsContact O-N 3.12Å; K39-M41 VanDerWaalsContact C-N 3.31Å; K39-M41 PolarHBondContact O-N 3.3Å; K39-I122 HydrophobicContact CB-CG2 3.72Å; K39-I122 HydrophobicContact CD-CG2 4.32Å; K39-I122 HydrophobicContact CG-CG2 3.97Å
40G94.3Very high96.4Very high53 Ų5335.6 Ų35.655%0.54620%0.195SC..THydrogen-bonded Turntrans82.5-5.2-179.800000115.7V38 I119V38-G40 PolarHBondContact O-N 2.96Å; G40-I119 VanDerWaalsContact CA-O 3.3Å; G40-I119 WeakPolarHBondContact CA-O 3.25Å; G40-I119 PolarHBondContact N-O 3.12Å
41M95.5Very high96.4Very high28 Ų2839.2 Ų39.214%0.13821%0.209CC..  trans-71.3153.6173.8-68.3-174.7175.100111.5A37 V38 K39 R45 A46 Y49 W78 Y118 I119A37-M41 VanDerWaalsContact O-CE 3.24Å; A37-M41 WeakPolarHBondContact O-CE 3.45Å; V38-M41 HydrophobicContact CB-SD 4.46Å; V38-M41 HydrophobicContact CG1-SD 4.46Å; V38-M41 WeakPolarHBondContact O-CB 3.37Å; V38-M41 PolarHBondContact O-N 3.45Å; V38-M41 VanDerWaalsContact O-N 3.1Å; K39-M41 VanDerWaalsContact C-N 3.31Å; K39-M41 PolarHBondContact O-N 3.3Å; M41-R45 HydrophobicContact CG-CG 4.44Å; M41-R45 HydrophobicContact SD-CG 4.1Å; M41-A46 HydrophobicContact CB-CB 4.03Å; M41-A46 HydrophobicContact SD-CB 4.41Å; M41-Y49 HydrophobicContact CE-CD1 4.33Å; M41-Y49 HydrophobicContact CE-CG 4.3Å; M41-Y49 HydrophobicContact SD-CD1 4.34Å; M41-Y49 HydrophobicContact SD-CG 4.35Å; M41-W78 HydrophobicContact CE-CH2 3.55Å; M41-W78 HydrophobicContact CE-CZ2 4.11Å; M41-Y118 WeakPolarHBondContact O-CA 3.41Å; M41-Y118 WeakPolarHBondContact O-CB 3.42Å; M41-I119 PolarHBondContact O-N 2.86Å
42T94.2Very high96.4Very high62 Ų6241 Ų4138%0.3822%0.218SC..BIsolated β-bridgetrans-63.5150.1162.763.60000109.7Q44 R45 A46 L117T42-Q44 VanDerWaalsContact C-N 3.28Å; T42-Q44 PolarHBondContact O-N 2.95Å; T42-R45 PolarHBondContact O-N 3.33Å; T42-R45 VanDerWaalsContact OG1-CB 3.26Å; T42-R45 WeakPolarHBondContact OG1-CB 3.41Å; T42-R45 PolarHBondContact OG1-N 3.24Å; T42-A46 WeakPolarHBondContact O-CB 3.48Å; T42-A46 PolarHBondContact O-N 2.95Å; T42-L117 WeakPolarHBondContact CA-O 3.35Å
43L93.6Very high96.4Very high6 Ų640 Ų403%0.03121%0.213CC..Hα-helixtrans-56.6-44.5-177.8178.963.7000111.6A46 Q47 L97 F101 L117 L155L43-A46 PolarHBondContact O-N 3.13Å; L43-Q47 HydrophobicContact CD1-CG 4.41Å; L43-Q47 WeakPolarHBondContact O-CG 3.49Å; L43-Q47 PolarHBondContact O-N 3.17Å; L43-L97 HydrophobicContact CD1-CB 4.02Å; L43-L97 HydrophobicContact CD1-CD2 4.02Å; L43-L97 HydrophobicContact CD1-CG 4.42Å; L43-F101 HydrophobicContact CD2-CB 4Å; L43-F101 HydrophobicContact CD2-CD2 3.51Å; L43-F101 HydrophobicContact CD2-CE2 4.35Å; L43-F101 HydrophobicContact CD2-CG 4.03Å; L43-L117 HydrophobicContact CB-CB 4.14Å; L43-L117 HydrophobicContact CD2-CB 4.36Å; L43-L117 HydrophobicContact CD2-CD1 4.13Å; L43-L117 PolarHBondContact N-O 2.74Å; L43-L155 HydrophobicContact CD1-CD1 3.95Å; L43-L155 HydrophobicContact CD2-CD1 4.13Å
44Q92.8Very high96.4Very high113 Ų11341.9 Ų41.953%0.52822%0.224SC..Hα-helixtrans-60.9-47.7177.5-67-178.4-13.600111.8T42 A46 Q47 T48T42-Q44 VanDerWaalsContact C-N 3.28Å; T42-Q44 PolarHBondContact O-N 2.95Å; Q44-A46 VanDerWaalsContact C-N 3.35Å; Q44-A46 PolarHBondContact O-N 3.13Å; Q44-Q47 PolarHBondContact O-N 3.17Å; Q44-T48 PolarHBondContact O-N 3.42Å; Q44-T48 PolarHBondContact O-OG1 3.01Å
45R95.2Very high96.4Very high91 Ų9147.1 Ų47.134%0.34325%0.248SC..Hα-helixtrans-62.8-42.9177.6175.456.5-178.4126.8-3.2111.3M41 T42 T48 Y49 E58M41-R45 HydrophobicContact CG-CG 4.44Å; M41-R45 HydrophobicContact SD-CG 4.1Å; T42-R45 PolarHBondContact O-N 3.33Å; T42-R45 VanDerWaalsContact OG1-CB 3.26Å; T42-R45 WeakPolarHBondContact OG1-CB 3.41Å; T42-R45 PolarHBondContact OG1-N 3.24Å; R45-T48 PolarHBondContact O-N 3.27Å; R45-Y49 VanDerWaalsContact NH1-CB 3.32Å; R45-Y49 WeakPolarHBondContact O-CB 3.35Å; R45-Y49 PolarHBondContact O-N 3.01Å; R45-E58 IonicContact CZ-OE1 3.33Å; R45-E58 IonicContact CZ-OE2 2.83Å; R45-E58 IonicContact NH1-OE1 3.02Å; R45-E58 PolarHBondContact NH1-OE1 2.93Å; R45-E58 IonicContact NH1-OE2 2.69Å; R45-E58 PolarHBondContact NH1-OE2 3.36Å; R45-E58 IonicContact NH2-OE1 3.71Å; R45-E58 PolarHBondContact NH2-OE1 3.25Å; R45-E58 IonicContact NH2-OE2 3.76Å
46A96.6Very high96.4Very high0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-62.1-43.4178.900000111.9V38 M41 T42 L43 Q44 Y49 L50 L97 I119V38-A46 HydrophobicContact CB-CB 4.39Å; M41-A46 HydrophobicContact CB-CB 4.03Å; M41-A46 HydrophobicContact SD-CB 4.41Å; T42-A46 WeakPolarHBondContact O-CB 3.48Å; T42-A46 PolarHBondContact O-N 2.95Å; L43-A46 PolarHBondContact O-N 3.13Å; Q44-A46 VanDerWaalsContact C-N 3.35Å; Q44-A46 PolarHBondContact O-N 3.13Å; A46-Y49 PolarHBondContact O-N 3.28Å; A46-L50 WeakPolarHBondContact O-CB 3.5Å; A46-L50 VanDerWaalsContact O-CG 3.27Å; A46-L50 WeakPolarHBondContact O-CG 3.26Å; A46-L50 PolarHBondContact O-N 2.85Å; A46-L97 HydrophobicContact CB-CD1 4.08Å; A46-I119 HydrophobicContact CB-CD1 3.59Å
47Q96.1Very high96.4Very high52 Ų5256.4 Ų56.424%0.24328%0.28CS..Hα-helixtrans-63.2-47.9176.5-73.6177.4-9.600111.8L43 Q44 Y49 L50 K51 L94L43-Q47 HydrophobicContact CD1-CG 4.41Å; L43-Q47 WeakPolarHBondContact O-CG 3.49Å; L43-Q47 PolarHBondContact O-N 3.17Å; Q44-Q47 PolarHBondContact O-N 3.17Å; Q47-Y49 VanDerWaalsContact C-N 3.35Å; Q47-Y49 PolarHBondContact O-N 3.37Å; Q47-L50 PolarHBondContact O-N 3.5Å; Q47-K51 WeakPolarHBondContact O-CG 3.32Å; Q47-K51 PolarHBondContact O-N 3.38Å; Q47-L94 HydrophobicContact CB-CD2 4.18Å; Q47-L94 HydrophobicContact CG-CD2 4.23Å
48T97.1Very high96.4Very high74 Ų7458.2 Ų58.245%0.45429%0.287SS..Hα-helixtrans-62.3-42.9176.6-60.20000111.4Q44 R45 L50 K51 N52Q44-T48 PolarHBondContact O-N 3.42Å; Q44-T48 PolarHBondContact O-OG1 3.01Å; R45-T48 PolarHBondContact O-N 3.27Å; T48-L50 PolarHBondContact O-N 3.11Å; T48-K51 PolarHBondContact O-N 3.46Å; T48-N52 WeakPolarHBondContact O-CB 3.26Å; T48-N52 PolarHBondContact O-N 2.74Å; T48-N52 PolarHBondContact O-ND2 3.02Å
49Y97.8Very high96.5Very high0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-57.6-50176.7178.5-110.2000111.8A37 V38 M41 R45 A46 Q47 K51 N52 V53 E58 I59 I60 W78A37-Y49 HydrophobicContact CB-CE1 4.06Å; V38-Y49 HydrophobicContact CG1-CD1 3.87Å; V38-Y49 HydrophobicContact CG1-CE1 4.23Å; M41-Y49 HydrophobicContact CE-CD1 4.33Å; M41-Y49 HydrophobicContact CE-CG 4.3Å; M41-Y49 HydrophobicContact SD-CD1 4.34Å; M41-Y49 HydrophobicContact SD-CG 4.35Å; R45-Y49 VanDerWaalsContact NH1-CB 3.32Å; R45-Y49 WeakPolarHBondContact O-CB 3.35Å; R45-Y49 PolarHBondContact O-N 3.01Å; A46-Y49 PolarHBondContact O-N 3.28Å; Q47-Y49 VanDerWaalsContact C-N 3.35Å; Q47-Y49 PolarHBondContact O-N 3.37Å; Y49-K51 PolarHBondContact O-N 3.03Å; Y49-N52 WeakPolarHBondContact O-CB 3.35Å; Y49-N52 PolarHBondContact O-N 3.42Å; Y49-V53 HydrophobicContact CD1-CG2 4.36Å; Y49-V53 HydrophobicContact CE1-CG2 4.02Å; Y49-V53 HydrophobicContact CE2-CG2 4.14Å; Y49-V53 VanDerWaalsContact O-CG2 3.3Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 2.93Å; Y49-E58 WeakPolarHBondContact CA-OE2 3.47Å; Y49-E58 HydrophobicContact CD2-CB 4.04Å; Y49-E58 HydrophobicContact CD2-CG 4.47Å; Y49-E58 VanDerWaalsContact CD2-OE2 3.28Å; Y49-E58 WeakPolarHBondContact CD2-OE2 3.06Å; Y49-E58 HydrophobicContact CE2-CB 3.84Å; Y49-I59 PolarHBondContact OH-O 3.43Å; Y49-I60 HydrophobicContact CE1-CG1 4.2Å; Y49-I60 WeakPolarHBondContact OH-CA 3.41Å; Y49-W78 HydrophobicContact CE1-CZ2 4.42Å; Y49-W78 AromaticContact CE2-CZ2 3.65Å; Y49-W78 HydrophobicContact CE2-CZ2 3.65Å; Y49-W78 AromaticContact CZ-CZ2 3.57Å; Y49-W78 WeakPolarHBondContact OH-CZ2 3.47Å
50L97.8Very high96.6Very high0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-66.8-35.4-179.3-68.2172.8000112.4V38 A46 Q47 T48 V53 I54 A90 L93 L94 L97V38-L50 HydrophobicContact CG1-CD1 4.26Å; V38-L50 HydrophobicContact CG1-CD2 3.87Å; V38-L50 HydrophobicContact CG1-CG 4.01Å; A46-L50 WeakPolarHBondContact O-CB 3.5Å; A46-L50 VanDerWaalsContact O-CG 3.27Å; A46-L50 WeakPolarHBondContact O-CG 3.26Å; A46-L50 PolarHBondContact O-N 2.85Å; Q47-L50 PolarHBondContact O-N 3.5Å; T48-L50 PolarHBondContact O-N 3.11Å; L50-V53 PolarHBondContact O-N 3.08Å; L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.29Å; L50-I54 VanDerWaalsContact O-N 3.11Å; L50-A90 HydrophobicContact CD2-CB 4.04Å; L50-L93 HydrophobicContact CD1-CB 3.73Å; L50-L93 HydrophobicContact CD2-CD1 4.37Å; L50-L94 HydrophobicContact CB-CD1 4.1Å; L50-L94 HydrophobicContact CB-CD2 3.76Å; L50-L94 HydrophobicContact CB-CG 3.69Å; L50-L94 HydrophobicContact CD1-CD2 4.06Å; L50-L94 HydrophobicContact CD1-CG 4.03Å; L50-L97 HydrophobicContact CD1-CD1 3.81Å
51K98.1Very high96.7Very high117 Ų11750.4 Ų50.451%0.50924%0.238SC..Hα-helixtrans-62.2-46.1170.8-72.7176.5-179.5179.60111.1Q47 T48 Y49 V53 I54 E55 L94Q47-K51 WeakPolarHBondContact O-CG 3.32Å; Q47-K51 PolarHBondContact O-N 3.38Å; T48-K51 PolarHBondContact O-N 3.46Å; Y49-K51 PolarHBondContact O-N 3.03Å; K51-V53 VanDerWaalsContact C-N 3.3Å; K51-V53 PolarHBondContact O-N 3.19Å; K51-I54 WeakPolarHBondContact O-CB 3.46Å; K51-I54 PolarHBondContact O-N 3.32Å; K51-I54 VanDerWaalsContact O-N 3.09Å; K51-E55 PolarHBondContact O-N 2.99Å; K51-L94 HydrophobicContact CG-CD1 4.02Å; K51-L94 HydrophobicContact CG-CD2 4.5Å
52N98Very high96.8Very high38 Ų3849.2 Ų49.220%0.20323%0.232CC..Hα-helixtrans-62.2-35.1176.1-70.1-16.4000112.8T48 Y49 E55 K56 K57 E58T48-N52 WeakPolarHBondContact O-CB 3.26Å; T48-N52 PolarHBondContact O-N 2.74Å; T48-N52 PolarHBondContact O-ND2 3.02Å; Y49-N52 WeakPolarHBondContact O-CB 3.35Å; Y49-N52 PolarHBondContact O-N 3.42Å; N52-E55 CarbonylContact O-C 3.56Å; N52-E55 PolarHBondContact O-N 2.69Å; N52-K56 PolarHBondContact O-N 3.3Å; N52-K57 HydrophobicContact CB-CB 4.17Å; N52-K57 PolarHBondContact O-N 2.99Å; N52-E58 HydrophobicContact CB-CB 3.96Å; N52-E58 HydrophobicContact CB-CG 3.82Å; N52-E58 WeakPolarHBondContact CB-OE2 3.47Å; N52-E58 PolarHBondContact ND2-OE2 2.85Å; N52-E58 PolarHBondContact O-N 2.89Å
53V98Very high96.9Very high0 Ų052.9 Ų52.90%024%0.239CC..Hα-helixtrans-65.1-40173.9170.70000111.3Y49 L50 K51 E55 K56 E58 I60 W85 A90Y49-V53 HydrophobicContact CD1-CG2 4.36Å; Y49-V53 HydrophobicContact CE1-CG2 4.02Å; Y49-V53 HydrophobicContact CE2-CG2 4.14Å; Y49-V53 VanDerWaalsContact O-CG2 3.3Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 2.93Å; L50-V53 PolarHBondContact O-N 3.08Å; K51-V53 VanDerWaalsContact C-N 3.3Å; K51-V53 PolarHBondContact O-N 3.19Å; V53-E55 VanDerWaalsContact C-N 3.27Å; V53-E55 PolarHBondContact O-N 3.13Å; V53-K56 PolarHBondContact O-N 2.99Å; V53-K56 VanDerWaalsContact O-N 3.1Å; V53-E58 WeakPolarHBondContact CA-O 3.48Å; V53-E58 HydrophobicContact CG2-CB 4.4Å; V53-E58 WeakPolarHBondContact CG2-O 3.36Å; V53-I60 HydrophobicContact CB-CD1 4.43Å; V53-I60 HydrophobicContact CB-CG1 4.43Å; V53-I60 HydrophobicContact CG1-CD1 3.71Å; V53-I60 HydrophobicContact CG1-CG1 3.85Å; V53-I60 HydrophobicContact CG2-CD1 4.09Å; V53-I60 HydrophobicContact CG2-CG1 3.69Å; V53-W85 HydrophobicContact CG1-CB 4.33Å; V53-A90 HydrophobicContact CG1-CB 4.24Å
54I97.7Very high97Very high46 Ų4660.5 Ų60.524%0.23627%0.267CS..Hα-helixtrans-62.4-39175.7-68.1163.6000110.5L50 K51 K56 K87 A90 Q91 L94L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.29Å; L50-I54 VanDerWaalsContact O-N 3.11Å; K51-I54 WeakPolarHBondContact O-CB 3.46Å; K51-I54 PolarHBondContact O-N 3.32Å; K51-I54 VanDerWaalsContact O-N 3.09Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 3.17Å; I54-K87 HydrophobicContact CG1-CG 4.47Å; I54-K87 HydrophobicContact CG2-CG 4.28Å; I54-A90 HydrophobicContact CD1-CB 4.33Å; I54-A90 HydrophobicContact CG1-CB 3.92Å; I54-Q91 HydrophobicContact CD1-CG 3.64Å; I54-Q91 HydrophobicContact CG1-CG 4.22Å; I54-L94 HydrophobicContact CD1-CD1 3.62Å
55E97.7Very high97.2Very high109 Ų10957.5 Ų57.551%0.50925%0.253SS..THydrogen-bonded Turntrans-80.8-0.1175.6-65.5178.5-168.700114K51 N52 V53 K57K51-E55 PolarHBondContact O-N 2.99Å; N52-E55 CarbonylContact O-C 3.56Å; N52-E55 PolarHBondContact O-N 2.69Å; V53-E55 VanDerWaalsContact C-N 3.27Å; V53-E55 PolarHBondContact O-N 3.13Å; E55-K57 HydrophobicContact CB-CD 4.25Å; E55-K57 HydrophobicContact CB-CG 4.19Å; E55-K57 PolarHBondContact O-N 3.28Å; E55-K57 WeakPolarHBondContact OE2-CD 3.49Å; E55-K57 WeakPolarHBondContact OE2-CE 3.49Å; E55-K57 IonicContact OE2-NZ 2.82Å; E55-K57 PolarHBondContact OE2-NZ 3.26Å
56K97.2Very high97.2Very high137 Ų13756.2 Ų56.260%0.59625%0.253SS*.THydrogen-bonded Turntrans60.519.6-176.6-52.7176.7-179.5174.20115.7N52 V53 I54 Q74 W85N52-K56 PolarHBondContact O-N 3.3Å; V53-K56 PolarHBondContact O-N 2.99Å; V53-K56 VanDerWaalsContact O-N 3.1Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 3.17Å; K56-Q74 PolarHBondContact O-NE2 3.38Å; K56-W85 VanDerWaalsContact CA-CD1 3.49Å; K56-W85 HydrophobicContact CB-CD2 4.25Å; K56-W85 HydrophobicContact CB-CG 4.14Å; K56-W85 HydrophobicContact CG-CB 4.16Å; K56-W85 HydrophobicContact CG-CD2 4.2Å; K56-W85 HydrophobicContact CG-CG 3.92Å; K56-W85 PolarHBondContact O-NE1 3.03Å
57K97.3Very high97.2Very high133 Ų13359.7 Ų59.758%0.57829%0.289SS*.SBendtrans-78.1-33.6175.4-68.3176.7178.4164.30112.3N52 E55 Q74N52-K57 HydrophobicContact CB-CB 4.17Å; N52-K57 PolarHBondContact O-N 2.99Å; E55-K57 HydrophobicContact CB-CD 4.25Å; E55-K57 HydrophobicContact CB-CG 4.19Å; E55-K57 PolarHBondContact O-N 3.28Å; E55-K57 WeakPolarHBondContact OE2-CD 3.49Å; E55-K57 WeakPolarHBondContact OE2-CE 3.49Å; E55-K57 IonicContact OE2-NZ 2.82Å; E55-K57 PolarHBondContact OE2-NZ 3.26Å; K57-Q74 PolarHBondContact O-NE2 2.86Å
58E97Very high97.2Very high44 Ų4460.8 Ų60.821%0.20631%0.314CS..SBendtrans-123.2148.9174.6-66.7-172.6110.100110.2R45 Y49 N52 V53 W85R45-E58 IonicContact CZ-OE1 3.33Å; R45-E58 IonicContact CZ-OE2 2.83Å; R45-E58 IonicContact NH1-OE1 3.02Å; R45-E58 PolarHBondContact NH1-OE1 2.93Å; R45-E58 IonicContact NH1-OE2 2.69Å; R45-E58 PolarHBondContact NH1-OE2 3.36Å; R45-E58 IonicContact NH2-OE1 3.71Å; R45-E58 PolarHBondContact NH2-OE1 3.25Å; R45-E58 IonicContact NH2-OE2 3.76Å; Y49-E58 WeakPolarHBondContact CA-OE2 3.47Å; Y49-E58 HydrophobicContact CD2-CB 4.04Å; Y49-E58 HydrophobicContact CD2-CG 4.47Å; Y49-E58 VanDerWaalsContact CD2-OE2 3.28Å; Y49-E58 WeakPolarHBondContact CD2-OE2 3.06Å; Y49-E58 HydrophobicContact CE2-CB 3.84Å; N52-E58 HydrophobicContact CB-CB 3.96Å; N52-E58 HydrophobicContact CB-CG 3.82Å; N52-E58 WeakPolarHBondContact CB-OE2 3.47Å; N52-E58 PolarHBondContact ND2-OE2 2.85Å; N52-E58 PolarHBondContact O-N 2.89Å; V53-E58 WeakPolarHBondContact CA-O 3.48Å; V53-E58 HydrophobicContact CG2-CB 4.4Å; V53-E58 WeakPolarHBondContact CG2-O 3.36Å; E58-W85 PolarHBondContact O-NE1 2.93Å
59I97.8Very high97.2Very high3 Ų357.7 Ų57.72%0.01530%0.295CS..  trans-108147.6-176.4-159.9167.5000111.6Y49 H72 Q74 A75 W78 R84 W85Y49-I59 PolarHBondContact OH-O 3.43Å; I59-H72 HydrophobicContact CD1-CB 3.69Å; I59-Q74 HydrophobicContact CB-CB 3.86Å; I59-Q74 VanDerWaalsContact CG2-C 3.47Å; I59-Q74 HydrophobicContact CG2-CB 3.61Å; I59-Q74 WeakPolarHBondContact CG2-O 3.27Å; I59-A75 HydrophobicContact CG2-CB 4.36Å; I59-W78 PolarHBondContact O-NE1 2.94Å; I59-W78 VanDerWaalsContact O-NE1 3.14Å; I59-R84 WeakPolarHBondContact CG1-O 3.3Å; I59-W85 HydrophobicContact CB-CZ2 4.49Å; I59-W85 HydrophobicContact CD1-CH2 4.23Å; I59-W85 HydrophobicContact CD1-CZ2 3.94Å; I59-W85 HydrophobicContact CG1-CD2 4.37Å; I59-W85 HydrophobicContact CG1-CZ2 4.22Å
60I98.1Very high97.1Very high0 Ų059.8 Ų59.80%032%0.317CS..EExtended strand (participates in β ladder)trans-89.1121.2169.3-64.8-176.3000108.5E33 C34 A37 Y49 V53 F62 G83 R84 P86E33-I60 HydrophobicContact CB-CG2 4.11Å; C34-I60 HydrophobicContact CB-CD1 3.85Å; C34-I60 WeakPolarHBondContact SG-CD1 3.36Å; A37-I60 HydrophobicContact CB-CG2 4.22Å; Y49-I60 HydrophobicContact CE1-CG1 4.2Å; Y49-I60 WeakPolarHBondContact OH-CA 3.41Å; V53-I60 HydrophobicContact CB-CD1 4.43Å; V53-I60 HydrophobicContact CB-CG1 4.43Å; V53-I60 HydrophobicContact CG1-CD1 3.71Å; V53-I60 HydrophobicContact CG1-CG1 3.85Å; V53-I60 HydrophobicContact CG2-CD1 4.09Å; V53-I60 HydrophobicContact CG2-CG1 3.69Å; I60-F62 HydrophobicContact CG2-CD2 4.5Å; I60-F62 HydrophobicContact CG2-CE2 4.24Å; I60-F62 WeakPolarHBondContact O-CD2 3.36Å; I60-G83 CarbonylContact O-C 3.54Å; I60-G83 WeakPolarHBondContact O-CA 3.26Å; I60-R84 PolarHBondContact N-O 3.18Å; I60-R84 PolarHBondContact O-N 3.02Å; I60-P86 HydrophobicContact CB-CG 4.43Å; I60-P86 HydrophobicContact CD1-CG 3.78Å
61P97.9Very high97.1Very high5 Ų569.6 Ų69.63%0.03235%0.354CS..EExtended strand (participates in β ladder)trans-69133.6176.630.1-35.1000109.8A37 W78 T80A37-P61 HydrophobicContact CB-CG 4.44Å; P61-W78 HydrophobicContact CB-CB 3.85Å; P61-W78 HydrophobicContact CB-CD2 4.43Å; P61-W78 HydrophobicContact CB-CG 3.97Å; P61-W78 HydrophobicContact CG-CB 4.1Å; P61-W78 HydrophobicContact CG-CD2 3.72Å; P61-W78 HydrophobicContact CG-CE3 3.98Å; P61-W78 HydrophobicContact CG-CG 3.77Å; P61-T80 HydrophobicContact CB-CG2 3.59Å
62F97.8Very high97Very high3 Ų367.8 Ų67.81%0.01335%0.347CS..  trans-102.2110173.2-83.5-121.1000107.7N30 E33 I60 N66 V69 Q82 R84 P86N30-F62 WeakPolarHBondContact OD1-CE1 3.33Å; E33-F62 HydrophobicContact CB-CD2 4.32Å; E33-F62 HydrophobicContact CB-CE2 4.34Å; E33-F62 HydrophobicContact CB-CG 4.42Å; E33-F62 HydrophobicContact CB-CZ 4.47Å; E33-F62 HydrophobicContact CG-CB 4.44Å; E33-F62 HydrophobicContact CG-CD1 3.84Å; E33-F62 HydrophobicContact CG-CD2 4.39Å; E33-F62 HydrophobicContact CG-CE1 4.12Å; E33-F62 HydrophobicContact CG-CG 3.98Å; I60-F62 HydrophobicContact CG2-CD2 4.5Å; I60-F62 HydrophobicContact CG2-CE2 4.24Å; I60-F62 WeakPolarHBondContact O-CD2 3.36Å; F62-N66 HydrophobicContact CB-CB 4.47Å; F62-V69 HydrophobicContact CB-CG1 4.13Å; F62-V69 HydrophobicContact CB-CG2 4.29Å; F62-V69 HydrophobicContact CD1-CG2 3.88Å; F62-V69 HydrophobicContact CG-CG1 4.28Å; F62-V69 HydrophobicContact CG-CG2 4.27Å; F62-Q82 PolarHBondContact N-O 2.89Å; F62-R84 HydrophobicContact CD2-CB 4.18Å; F62-R84 HydrophobicContact CD2-CG 4.47Å; F62-R84 HydrophobicContact CE2-CB 3.63Å; F62-R84 HydrophobicContact CE2-CG 4.25Å; F62-R84 HydrophobicContact CZ-CB 4.02Å; F62-R84 HydrophobicContact CZ-CG 4.47Å; F62-P86 HydrophobicContact CE2-CG 4.43Å; F62-P86 HydrophobicContact CZ-CG 4.44Å
63R95.6Very high97Very high139 Ų13969.2 Ų69.253%0.52536%0.364SS..SBendtrans-106.8-48-175.8-64.2-173.2-176.7-85.2-0.7113.2E33 W78E33-R63 PolarHBondContact OE2-N 3.15Å; R63-W78 PolarHBondContact NH2-O 3.42Å
64R96.4Very high96.9Very high166 Ų16671.8 Ų71.863%0.62638%0.376SS*.SBendtrans-87.4-43.5-176.6-178.3-180-69.2177.1-3.1111.1H32 E33H32-R64 PolarHBondContact CE1-NH1 3.4Å; H32-R64 PolarHBondContact NE2-NH1 3Å; E33-R64 WeakPolarHBondContact OE1-CA 3.39Å; E33-R64 WeakPolarHBondContact OE1-CB 3.44Å; E33-R64 PolarHBondContact OE1-N 3Å
65F96.6Very high96.8Very high51 Ų5169.6 Ų69.622%0.22437%0.365CS..SBendtrans-106.357-175.1-59.1-61.7000112.2F28 K29 H32 E33F28-F65 HydrophobicContact CE1-CE2 4.1Å; F28-F65 AromaticContact CE1-CZ 3.88Å; F28-F65 HydrophobicContact CE1-CZ 3.88Å; K29-F65 HydrophobicContact CB-CB 4Å; K29-F65 HydrophobicContact CB-CD1 4.44Å; K29-F65 HydrophobicContact CB-CD2 3.69Å; K29-F65 HydrophobicContact CB-CE2 4.26Å; K29-F65 HydrophobicContact CB-CG 3.78Å; K29-F65 HydrophobicContact CD-CB 4.05Å; K29-F65 HydrophobicContact CD-CD1 3.73Å; K29-F65 HydrophobicContact CD-CD2 4.49Å; K29-F65 HydrophobicContact CD-CE1 4.29Å; K29-F65 HydrophobicContact CD-CG 3.83Å; K29-F65 HydrophobicContact CG-CB 4.23Å; K29-F65 HydrophobicContact CG-CD1 3.82Å; K29-F65 HydrophobicContact CG-CD2 3.83Å; K29-F65 HydrophobicContact CG-CE1 4.08Å; K29-F65 HydrophobicContact CG-CE2 4.09Å; K29-F65 HydrophobicContact CG-CG 3.68Å; K29-F65 HydrophobicContact CG-CZ 4.21Å; H32-F65 HydrophobicContact CB-CD2 4.48Å; H32-F65 HydrophobicContact CB-CE2 4.03Å; H32-F65 AromaticContact CG-CE2 3.86Å; H32-F65 AromaticContact ND1-CE2 3.84Å; E33-F65 PolarHBondContact OE1-N 3.02Å
66N95.6Very high96.7Very high63 Ų6372.3 Ų72.334%0.33738%0.375SS..  trans-98.53.7-171.468.6-22.9000115.5F62 G68 V69 Q82F62-N66 HydrophobicContact CB-CB 4.47Å; N66-G68 PolarHBondContact O-N 3.08Å; N66-G68 VanDerWaalsContact O-N 3.17Å; N66-V69 WeakPolarHBondContact O-CB 3.43Å; N66-V69 PolarHBondContact O-N 3.02Å; N66-Q82 PolarHBondContact ND2-OE1 3.11Å; N66-Q82 PolarHBondContact O-NE2 2.86Å
67G96.1Very high96.7Very high74 Ų7471.6 Ų71.676%0.76338%0.382SS*.THydrogen-bonded Turntrans-58.3117.6176.600000112.2V69G67-V69 PolarHBondContact O-N 3.08Å
68G95.2Very high96.6Very high74 Ų7468.1 Ų68.176%0.76337%0.365SS*.THydrogen-bonded Turntrans69.115.6-17700000114.8N66 R84N66-G68 PolarHBondContact O-N 3.08Å; N66-G68 VanDerWaalsContact O-N 3.17Å; G68-R84 PolarHBondContact O-NH2 3.31Å
69V97Very high96.5Very high9 Ų975.5 Ų75.56%0.05540%0.397CS..PPolyproline II helixtrans-81.4127.4174.7178.90000110F62 N66 G67 Q82 R84F62-V69 HydrophobicContact CB-CG1 4.13Å; F62-V69 HydrophobicContact CB-CG2 4.29Å; F62-V69 HydrophobicContact CD1-CG2 3.88Å; F62-V69 HydrophobicContact CG-CG1 4.28Å; F62-V69 HydrophobicContact CG-CG2 4.27Å; N66-V69 WeakPolarHBondContact O-CB 3.43Å; N66-V69 PolarHBondContact O-N 3.02Å; G67-V69 PolarHBondContact O-N 3.08Å; V69-Q82 HydrophobicContact CB-CB 4.47Å; V69-Q82 HydrophobicContact CG1-CB 4.1Å; V69-Q82 PolarHBondContact O-NE2 3.36Å; V69-R84 HydrophobicContact CG1-CG 3.8Å
70G95.8Very high96.3Very high45 Ų4576.6 Ų76.646%0.46440%0.403SS..PPolyproline II helixtrans-65.6156.4178.400000113
71R97.3Very high96.2Very high206 Ų20680.7 Ų80.778%0.77743%0.429SS*.BIsolated β-bridgetrans-87.3146.7175.1-60.4176.5-174.2169.71.3110.2T81 Q82R71-T81 WeakPolarHBondContact CA-O 3.18Å; R71-T81 WeakPolarHBondContact CB-O 3.35Å; R71-Q82 HydrophobicContact CG-CG 4.21Å
72H97Very high96.2Very high78 Ų7882.2 Ų82.236%0.36144%0.435SS..  trans-149146.1178.1-164.6-101000112.3I59 Q74 A75 T81 W85I59-H72 HydrophobicContact CD1-CB 3.69Å; H72-Q74 VanDerWaalsContact C-N 3.32Å; H72-Q74 PolarHBondContact ND1-N 3.01Å; H72-Q74 PolarHBondContact O-N 3.41Å; H72-A75 WeakPolarHBondContact O-CB 3.29Å; H72-A75 PolarHBondContact O-N 2.9Å; H72-T81 PolarHBondContact N-O 3.48Å; H72-W85 AromaticContact CD2-CH2 3.61Å; H72-W85 AromaticContact CE1-CH2 3.55Å; H72-W85 AromaticContact CE1-CZ2 3.55Å; H72-W85 AromaticContact CG-CH2 3.69Å; H72-W85 AromaticContact ND1-CH2 3.64Å; H72-W85 AromaticContact ND1-CZ2 3.61Å; H72-W85 AromaticContact NE2-CH2 3.54Å
73A96.9Very high96.2Very high69 Ų6982.3 Ų82.357%0.5744%0.437SS*.G310 helixtrans-60.7-37.4-17600000113.4A75 K76A73-A75 PolarHBondContact O-N 2.86Å; A73-A75 VanDerWaalsContact O-N 3.12Å; A73-K76 WeakPolarHBondContact O-CB 3.48Å; A73-K76 VanDerWaalsContact O-CG 3.3Å; A73-K76 WeakPolarHBondContact O-CG 3.45Å; A73-K76 PolarHBondContact O-N 3.22Å
74Q96.9Very high96.3Very high54 Ų5481 Ų8125%0.25243%0.432SS..G310 helixtrans-59.9-22.7176.8-67.6176.2-1.100113.1K56 K57 I59 H72 K76 V77 W85K56-Q74 PolarHBondContact O-NE2 3.38Å; K57-Q74 PolarHBondContact O-NE2 2.86Å; I59-Q74 HydrophobicContact CB-CB 3.86Å; I59-Q74 VanDerWaalsContact CG2-C 3.47Å; I59-Q74 HydrophobicContact CG2-CB 3.61Å; I59-Q74 WeakPolarHBondContact CG2-O 3.27Å; H72-Q74 VanDerWaalsContact C-N 3.32Å; H72-Q74 PolarHBondContact ND1-N 3.01Å; H72-Q74 PolarHBondContact O-N 3.41Å; Q74-K76 PolarHBondContact O-N 3.13Å; Q74-V77 PolarHBondContact O-N 3.47Å; Q74-W85 VanDerWaalsContact OE1-NE1 3.1Å
75A96Very high96.4Very high0 Ų076.5 Ų76.50%042%0.415CS..G310 helixtrans-67.9-20.7-178.500000112.3I59 H72 A73 V77 W78 T80I59-A75 HydrophobicContact CG2-CB 4.36Å; H72-A75 WeakPolarHBondContact O-CB 3.29Å; H72-A75 PolarHBondContact O-N 2.9Å; A73-A75 PolarHBondContact O-N 2.86Å; A73-A75 VanDerWaalsContact O-N 3.12Å; A75-V77 PolarHBondContact O-N 3.04Å; A75-W78 WeakPolarHBondContact O-CB 3.46Å; A75-W78 PolarHBondContact O-N 3.31Å; A75-T80 CarbonylContact C-O 3.5Å; A75-T80 HydrophobicContact CB-CG2 4.25Å; A75-T80 WeakPolarHBondContact CB-O 3.28Å; A75-T80 PolarHBondContact O-N 2.85Å
76K96Very high96.4Very high166 Ų16674.7 Ų74.772%0.72241%0.409SS*.G310 helixtrans-55.5-35.2177.7-68.1-176.8-178.9-1760112.8A73 Q74 W78 K79A73-K76 WeakPolarHBondContact O-CB 3.48Å; A73-K76 VanDerWaalsContact O-CG 3.3Å; A73-K76 WeakPolarHBondContact O-CG 3.45Å; A73-K76 PolarHBondContact O-N 3.22Å; Q74-K76 PolarHBondContact O-N 3.13Å; K76-W78 PolarHBondContact O-N 2.98Å; K76-W78 VanDerWaalsContact O-N 3.16Å; K76-K79 PolarHBondContact O-N 3.43Å
77V95.6Very high96.5Very high122 Ų12277.4 Ų77.474%0.73942%0.417SS*.G310 helixtrans-56.6-32.9176.7-179.80000111.5Q74 A75Q74-V77 PolarHBondContact O-N 3.47Å; A75-V77 PolarHBondContact O-N 3.04Å
78W95.1Very high96.6Very high59 Ų5979.2 Ų79.222%0.22340%0.404CS..G310 helixtrans-949-178.7-65.899000113.5A37 M41 Y49 I59 P61 R63 A75 K76 T80A37-W78 HydrophobicContact CB-CH2 4.45Å; M41-W78 HydrophobicContact CE-CH2 3.55Å; M41-W78 HydrophobicContact CE-CZ2 4.11Å; Y49-W78 HydrophobicContact CE1-CZ2 4.42Å; Y49-W78 AromaticContact CE2-CZ2 3.65Å; Y49-W78 HydrophobicContact CE2-CZ2 3.65Å; Y49-W78 AromaticContact CZ-CZ2 3.57Å; Y49-W78 WeakPolarHBondContact OH-CZ2 3.47Å; I59-W78 PolarHBondContact O-NE1 2.94Å; I59-W78 VanDerWaalsContact O-NE1 3.14Å; P61-W78 HydrophobicContact CB-CB 3.85Å; P61-W78 HydrophobicContact CB-CD2 4.43Å; P61-W78 HydrophobicContact CB-CG 3.97Å; P61-W78 HydrophobicContact CG-CB 4.1Å; P61-W78 HydrophobicContact CG-CD2 3.72Å; P61-W78 HydrophobicContact CG-CE3 3.98Å; P61-W78 HydrophobicContact CG-CG 3.77Å; R63-W78 PolarHBondContact NH2-O 3.42Å; A75-W78 WeakPolarHBondContact O-CB 3.46Å; A75-W78 PolarHBondContact O-N 3.31Å; K76-W78 PolarHBondContact O-N 2.98Å; K76-W78 VanDerWaalsContact O-N 3.16Å; W78-T80 HydrophobicContact CB-CG2 3.8Å; W78-T80 PolarHBondContact O-N 2.96Å
79K95.4Very high96.7Very high199 Ų19975.8 Ų75.887%0.86537%0.369SS*.THydrogen-bonded Turntrans52.939.5-174.4-52.8179.8-178.9-177.80111.8K76K76-K79 PolarHBondContact O-N 3.43Å
80T95.1Very high96.7Very high26 Ų2675.4 Ų75.416%0.1637%0.366CS..  trans-136.1160.7172.4177.50000109.5P61 A75 W78 Q82P61-T80 HydrophobicContact CB-CG2 3.59Å; A75-T80 CarbonylContact C-O 3.5Å; A75-T80 HydrophobicContact CB-CG2 4.25Å; A75-T80 WeakPolarHBondContact CB-O 3.28Å; A75-T80 PolarHBondContact O-N 2.85Å; W78-T80 HydrophobicContact CB-CG2 3.8Å; W78-T80 PolarHBondContact O-N 2.96Å; T80-Q82 PolarHBondContact OG1-N 3.33Å
81T96.1Very high96.8Very high86 Ų8676.9 Ų76.953%0.52836%0.361SS..SBendtrans-92.9-21.2176.258.30000112.3R71 H72R71-T81 WeakPolarHBondContact CA-O 3.18Å; R71-T81 WeakPolarHBondContact CB-O 3.35Å; H72-T81 PolarHBondContact N-O 3.48Å
82Q96.8Very high96.8Very high38 Ų3868.8 Ų68.818%0.17833%0.333CS..BIsolated β-bridgetrans-115.4138.3-169.2-67.8175.5-51.700112.6F62 N66 V69 R71 T80F62-Q82 PolarHBondContact N-O 2.89Å; N66-Q82 PolarHBondContact ND2-OE1 3.11Å; N66-Q82 PolarHBondContact O-NE2 2.86Å; V69-Q82 HydrophobicContact CB-CB 4.47Å; V69-Q82 HydrophobicContact CG1-CB 4.1Å; V69-Q82 PolarHBondContact O-NE2 3.36Å; R71-Q82 HydrophobicContact CG-CG 4.21Å; T80-Q82 PolarHBondContact OG1-N 3.33Å
83G97.4Very high96.8Very high4 Ų465.2 Ų65.24%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-171.9167.9177.400000112.7I60I60-G83 CarbonylContact O-C 3.54Å; I60-G83 WeakPolarHBondContact O-CA 3.26Å
84R97.7Very high96.8Very high111 Ų11163.4 Ų63.442%0.41930%0.297SS..EExtended strand (participates in β ladder)trans-146.7176.9176-63.8-176.6169.2173.3-0.9111.3I59 I60 F62 G68 V69 P86I59-R84 WeakPolarHBondContact CG1-O 3.3Å; I60-R84 PolarHBondContact N-O 3.18Å; I60-R84 PolarHBondContact O-N 3.02Å; F62-R84 HydrophobicContact CD2-CB 4.18Å; F62-R84 HydrophobicContact CD2-CG 4.47Å; F62-R84 HydrophobicContact CE2-CB 3.63Å; F62-R84 HydrophobicContact CE2-CG 4.25Å; F62-R84 HydrophobicContact CZ-CB 4.02Å; F62-R84 HydrophobicContact CZ-CG 4.47Å; G68-R84 PolarHBondContact O-NH2 3.31Å; V69-R84 HydrophobicContact CG1-CG 3.8Å; R84-P86 VanDerWaalsContact C-CD 3.44Å; R84-P86 VanDerWaalsContact O-CD 3.25Å; R84-P86 WeakPolarHBondContact O-CD 3.44Å
85W98.2Very high96.7Very high72 Ų7266.3 Ų66.327%0.27331%0.31SS..  trans-115.276.7174.6-54.9-87.3000111.7V53 K56 E58 I59 H72 Q74 K87V53-W85 HydrophobicContact CG1-CB 4.33Å; K56-W85 VanDerWaalsContact CA-CD1 3.49Å; K56-W85 HydrophobicContact CB-CD2 4.25Å; K56-W85 HydrophobicContact CB-CG 4.14Å; K56-W85 HydrophobicContact CG-CB 4.16Å; K56-W85 HydrophobicContact CG-CD2 4.2Å; K56-W85 HydrophobicContact CG-CG 3.92Å; K56-W85 PolarHBondContact O-NE1 3.03Å; E58-W85 PolarHBondContact O-NE1 2.93Å; I59-W85 HydrophobicContact CB-CZ2 4.49Å; I59-W85 HydrophobicContact CD1-CH2 4.23Å; I59-W85 HydrophobicContact CD1-CZ2 3.94Å; I59-W85 HydrophobicContact CG1-CD2 4.37Å; I59-W85 HydrophobicContact CG1-CZ2 4.22Å; H72-W85 AromaticContact CD2-CH2 3.61Å; H72-W85 AromaticContact CE1-CH2 3.55Å; H72-W85 AromaticContact CE1-CZ2 3.55Å; H72-W85 AromaticContact CG-CH2 3.69Å; H72-W85 AromaticContact ND1-CH2 3.64Å; H72-W85 AromaticContact ND1-CZ2 3.61Å; H72-W85 AromaticContact NE2-CH2 3.54Å; Q74-W85 VanDerWaalsContact OE1-NE1 3.1Å; W85-K87 VanDerWaalsContact C-N 3.28Å; W85-K87 PolarHBondContact O-N 3.45Å
86P97.6Very high96.7Very high14 Ų1466.4 Ų66.49%0.09131%0.311CS..  trans-73.178.8-179.332.5-38.2000111.9N30 C34 I60 F62 R84 K88 S89 A90N30-P86 HydrophobicContact CB-CB 3.87Å; C34-P86 WeakPolarHBondContact SG-CG 3.37Å; I60-P86 HydrophobicContact CB-CG 4.43Å; I60-P86 HydrophobicContact CD1-CG 3.78Å; F62-P86 HydrophobicContact CE2-CG 4.43Å; F62-P86 HydrophobicContact CZ-CG 4.44Å; R84-P86 VanDerWaalsContact C-CD 3.44Å; R84-P86 VanDerWaalsContact O-CD 3.25Å; R84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-K88 VanDerWaalsContact C-N 3.33Å; P86-K88 PolarHBondContact O-N 3.38Å; P86-S89 PolarHBondContact O-N 3.47Å; P86-A90 PolarHBondContact O-N 3.42Å
87K97.8Very high96.7Very high119 Ų11958.6 Ų58.652%0.51728%0.277SS..Hα-helixtrans-46.2-49.6-176.4-177.9175.2-179.8177.60113.7I54 W85 S89 A90 Q91I54-K87 HydrophobicContact CG1-CG 4.47Å; I54-K87 HydrophobicContact CG2-CG 4.28Å; W85-K87 VanDerWaalsContact C-N 3.28Å; W85-K87 PolarHBondContact O-N 3.45Å; K87-S89 PolarHBondContact O-N 3.4Å; K87-A90 PolarHBondContact O-N 3.49Å; K87-Q91 WeakPolarHBondContact O-CG 3.38Å; K87-Q91 PolarHBondContact O-N 2.8Å
88K97.8Very high96.6Very high112 Ų11258.3 Ų58.349%0.48727%0.267SS..Hα-helixtrans-62.6-42.6-178.3-164-176.8-175.9177.20112.2R25 T26 P86 M92R25-K88 VanDerWaalsContact O-CE 3.29Å; R25-K88 WeakPolarHBondContact O-CE 3.42Å; R25-K88 PolarHBondContact O-NZ 3.34Å; T26-K88 HydrophobicContact CG2-CD 3.99Å; T26-K88 HydrophobicContact CG2-CG 3.91Å; P86-K88 VanDerWaalsContact C-N 3.33Å; P86-K88 PolarHBondContact O-N 3.38Å; K88-M92 VanDerWaalsContact O-CG 3.28Å; K88-M92 WeakPolarHBondContact O-CG 3.3Å; K88-M92 PolarHBondContact O-N 3.11Å
89S97.3Very high96.5Very high3 Ų358.9 Ų58.92%0.02127%0.274CS..Hα-helixtrans-67-41.4178.2-64.60000111.2M31 C34 P86 K87 M92 L93M31-S89 PolarHBondContact N-OG 2.89Å; C34-S89 WeakPolarHBondContact SG-CB 3.3Å; P86-S89 PolarHBondContact O-N 3.47Å; K87-S89 PolarHBondContact O-N 3.4Å; S89-M92 PolarHBondContact O-N 3.42Å; S89-L93 PolarHBondContact O-N 3.33Å
90A97.7Very high96.4Very high0 Ų049.4 Ų49.40%023%0.233CC..Hα-helixtrans-62.5-43.3176.800000112.6L50 V53 I54 P86 K87 L93 L94L50-A90 HydrophobicContact CD2-CB 4.04Å; V53-A90 HydrophobicContact CG1-CB 4.24Å; I54-A90 HydrophobicContact CD1-CB 4.33Å; I54-A90 HydrophobicContact CG1-CB 3.92Å; P86-A90 PolarHBondContact O-N 3.42Å; K87-A90 PolarHBondContact O-N 3.49Å; A90-L93 PolarHBondContact O-N 2.83Å; A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 3.45Å
91Q97.4Very high96.2Very high77 Ų7751.2 Ų51.236%0.3624%0.239SC..Hα-helixtrans-60.9-45.2176.3-74.6175.1-32.800112.6I54 K87 L94 Q95I54-Q91 HydrophobicContact CD1-CG 3.64Å; I54-Q91 HydrophobicContact CG1-CG 4.22Å; K87-Q91 WeakPolarHBondContact O-CG 3.38Å; K87-Q91 PolarHBondContact O-N 2.8Å; Q91-L94 WeakPolarHBondContact O-CB 3.4Å; Q91-L94 PolarHBondContact O-N 3.31Å; Q91-Q95 WeakPolarHBondContact O-CG 3.28Å; Q91-Q95 PolarHBondContact O-N 3.35Å; Q91-Q95 VanDerWaalsContact O-N 3.13Å
92M97Very high95.9Very high36 Ų3649.5 Ų49.518%0.17723%0.231CC..Hα-helixtrans-69.3-34.4179.8-61.1-659600112.1L24 T26 M31 K88 S89 Q95 L96L24-M92 HydrophobicContact CD1-CB 4.19Å; L24-M92 HydrophobicContact CD1-CG 3.84Å; L24-M92 HydrophobicContact CD1-SD 3.68Å; L24-M92 HydrophobicContact CD2-CB 3.71Å; L24-M92 HydrophobicContact CD2-CG 4.03Å; L24-M92 HydrophobicContact CG-CG 4.37Å; T26-M92 HydrophobicContact CG2-CB 4.43Å; T26-M92 HydrophobicContact CG2-CG 3.69Å; M31-M92 HydrophobicContact CE-CB 3.97Å; K88-M92 VanDerWaalsContact O-CG 3.28Å; K88-M92 WeakPolarHBondContact O-CG 3.3Å; K88-M92 PolarHBondContact O-N 3.11Å; S89-M92 PolarHBondContact O-N 3.42Å; M92-Q95 PolarHBondContact O-N 3.09Å; M92-L96 PolarHBondContact O-N 3.25Å
93L96.7Very high95.5Very high2 Ų250.8 Ų50.81%0.0124%0.239CC..Hα-helixtrans-66.2-38.6172.4-77.8176.6000112.3M31 C34 L50 S89 A90 Q95 L96 L97 I122 V151M31-L93 HydrophobicContact CE-CG 4.22Å; M31-L93 HydrophobicContact SD-CD1 3.85Å; M31-L93 HydrophobicContact SD-CD2 3.77Å; M31-L93 HydrophobicContact SD-CG 3.54Å; M31-L93 VanDerWaalsContact SD-CG 3.54Å; C34-L93 HydrophobicContact CB-CD1 3.41Å; C34-L93 VanDerWaalsContact CB-CD1 3.41Å; L50-L93 HydrophobicContact CD1-CB 3.73Å; L50-L93 HydrophobicContact CD2-CD1 4.37Å; S89-L93 PolarHBondContact O-N 3.33Å; A90-L93 PolarHBondContact O-N 2.83Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 2.84Å; L93-L96 PolarHBondContact O-N 2.91Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 VanDerWaalsContact O-CG 3.32Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.83Å; L93-I122 HydrophobicContact CD2-CD1 3.91Å; L93-V151 HydrophobicContact CD2-CG1 4.04Å
94L96.8Very high94.9Very high32 Ų3250.6 Ų50.617%0.16824%0.237CC..Hα-helixtrans-59.4-44.5173.7-79.8172.3000111.8Q47 L50 K51 I54 A90 Q91 L96 L97 H98Q47-L94 HydrophobicContact CB-CD2 4.18Å; Q47-L94 HydrophobicContact CG-CD2 4.23Å; L50-L94 HydrophobicContact CB-CD1 4.1Å; L50-L94 HydrophobicContact CB-CD2 3.76Å; L50-L94 HydrophobicContact CB-CG 3.69Å; L50-L94 HydrophobicContact CD1-CD2 4.06Å; L50-L94 HydrophobicContact CD1-CG 4.03Å; K51-L94 HydrophobicContact CG-CD1 4.02Å; K51-L94 HydrophobicContact CG-CD2 4.5Å; I54-L94 HydrophobicContact CD1-CD1 3.62Å; A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 3.45Å; Q91-L94 WeakPolarHBondContact O-CB 3.4Å; Q91-L94 PolarHBondContact O-N 3.31Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.1Å; L94-L97 PolarHBondContact O-N 3.07Å; L94-H98 WeakPolarHBondContact O-CB 3.03Å; L94-H98 PolarHBondContact O-N 3.15Å
95Q96.3Very high94.1Very high114 Ų11449.3 Ų49.353%0.53324%0.242SC..Hα-helixtrans-61.4-42.1175.4-70.1177.1-12.400111.7Q91 M92 L93 H98 N99Q91-Q95 WeakPolarHBondContact O-CG 3.28Å; Q91-Q95 PolarHBondContact O-N 3.35Å; Q91-Q95 VanDerWaalsContact O-N 3.13Å; M92-Q95 PolarHBondContact O-N 3.09Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 2.84Å; Q95-H98 PolarHBondContact O-N 3.11Å; Q95-N99 PolarHBondContact O-N 2.84Å
96L96.2Very high92.7Very high2 Ų255.8 Ų55.81%0.0127%0.267CS..Hα-helixtrans-64.6-43.1177.5-175.551000112.5A19 I21 M92 L93 L94 N99 A100 V151 V153A19-L96 HydrophobicContact CB-CD1 3.56Å; I21-L96 HydrophobicContact CD1-CB 3.87Å; I21-L96 HydrophobicContact CD1-CD1 3.95Å; I21-L96 HydrophobicContact CD1-CD2 4.43Å; I21-L96 HydrophobicContact CD1-CG 4.31Å; I21-L96 HydrophobicContact CG1-CD1 3.85Å; M92-L96 PolarHBondContact O-N 3.25Å; L93-L96 PolarHBondContact O-N 2.91Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.1Å; L96-N99 PolarHBondContact O-N 3.37Å; L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 3.02Å; L96-V151 HydrophobicContact CD2-CB 3.88Å; L96-V151 HydrophobicContact CD2-CG1 3.43Å; L96-V151 VanDerWaalsContact CD2-CG1 3.43Å; L96-V153 HydrophobicContact CD2-CB 4.32Å; L96-V153 HydrophobicContact CD2-CG2 3.55Å; L96-V153 HydrophobicContact CG-CB 4.35Å; L96-V153 HydrophobicContact CG-CG2 3.91Å
97L95.3Very high91.6Very high2 Ų258.7 Ų58.71%0.0128%0.278CS..Hα-helixtrans-66.4-38.2177.3-71.5175.2000112L43 A46 L50 L93 L94 A100 F101 I119 V153 L155L43-L97 HydrophobicContact CD1-CB 4.02Å; L43-L97 HydrophobicContact CD1-CD2 4.02Å; L43-L97 HydrophobicContact CD1-CG 4.42Å; A46-L97 HydrophobicContact CB-CD1 4.08Å; L50-L97 HydrophobicContact CD1-CD1 3.81Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 VanDerWaalsContact O-CG 3.32Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.83Å; L94-L97 PolarHBondContact O-N 3.07Å; L97-A100 PolarHBondContact O-N 2.97Å; L97-F101 WeakPolarHBondContact O-CB 3.4Å; L97-F101 PolarHBondContact O-N 3.45Å; L97-I119 HydrophobicContact CD1-CD1 4.3Å; L97-I119 HydrophobicContact CD2-CD1 3.78Å; L97-I119 HydrophobicContact CD2-CG1 4.07Å; L97-V153 HydrophobicContact CD2-CG1 4.02Å; L97-L155 HydrophobicContact CD2-CD2 4.17Å
98H93.7Very high90.1Very high117 Ų11759 Ų5954%0.54229%0.286SS..Hα-helixtrans-61.3-45.7173-178.3-96.5000111.2L94 Q95 F101 S102L94-H98 WeakPolarHBondContact O-CB 3.03Å; L94-H98 PolarHBondContact O-N 3.15Å; Q95-H98 PolarHBondContact O-N 3.11Å; H98-F101 WeakPolarHBondContact O-CB 3.35Å; H98-F101 PolarHBondContact O-N 3.05Å; H98-S102 PolarHBondContact O-N 3.4Å; H98-S102 PolarHBondContact O-OG 3.47Å
99N93.5Very high88.6Confident70 Ų7054.4 Ų54.437%0.37427%0.266SS..Hα-helixtrans-62.7-43.8176-171.220.2000112.4Q95 L96 F101 S102 N103Q95-N99 PolarHBondContact O-N 2.84Å; L96-N99 PolarHBondContact O-N 3.37Å; N99-F101 VanDerWaalsContact C-N 3.27Å; N99-F101 PolarHBondContact O-N 3.17Å; N99-S102 PolarHBondContact O-N 2.96Å; N99-N103 VanDerWaalsContact O-CG 3.3Å; N99-N103 PolarHBondContact O-N 3.2Å
100A92.7Very high86.6Confident0 Ų061.9 Ų61.90%030%0.298CS..Hα-helixtrans-59.4-40.2175.300000111.9C17 A19 L96 L97 N103 G104 L155C17-A100 WeakPolarHBondContact CB-O 3.45Å; C17-A100 PolarHBondContact SG-O 3.29Å; A19-A100 HydrophobicContact CB-CB 3.74Å; L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 3.02Å; L97-A100 PolarHBondContact O-N 2.97Å; A100-N103 PolarHBondContact O-N 2.83Å; A100-G104 PolarHBondContact O-N 2.69Å; A100-G104 VanDerWaalsContact O-N 3.13Å; A100-L155 HydrophobicContact CB-CD1 3.83Å; A100-L155 HydrophobicContact CB-CG 4.15Å
101F90.7Very high84.6Confident64 Ų6465.3 Ų65.328%0.28133%0.334SS..Hα-helixtrans-63.7-48.6174.8-179.7-107.9000112L43 L97 H98 N99 N103 G104 V105 A114 L117L43-F101 HydrophobicContact CD2-CB 4Å; L43-F101 HydrophobicContact CD2-CD2 3.51Å; L43-F101 HydrophobicContact CD2-CE2 4.35Å; L43-F101 HydrophobicContact CD2-CG 4.03Å; L97-F101 WeakPolarHBondContact O-CB 3.4Å; L97-F101 PolarHBondContact O-N 3.45Å; H98-F101 WeakPolarHBondContact O-CB 3.35Å; H98-F101 PolarHBondContact O-N 3.05Å; N99-F101 VanDerWaalsContact C-N 3.27Å; N99-F101 PolarHBondContact O-N 3.17Å; F101-N103 VanDerWaalsContact C-N 3.27Å; F101-N103 PolarHBondContact O-N 2.87Å; F101-G104 WeakPolarHBondContact O-CA 3.43Å; F101-G104 PolarHBondContact O-N 3.47Å; F101-V105 HydrophobicContact CD1-CG2 4.35Å; F101-V105 HydrophobicContact CE1-CG2 3.91Å; F101-V105 HydrophobicContact CE2-CG2 4.35Å; F101-V105 HydrophobicContact CZ-CG2 3.91Å; F101-V105 PolarHBondContact O-N 2.97Å; F101-A114 HydrophobicContact CE2-CB 3.71Å; F101-A114 HydrophobicContact CZ-CB 4.15Å; F101-L117 HydrophobicContact CD2-CD1 3.97Å; F101-L117 HydrophobicContact CE2-CD1 4.28Å
102S90Very high82.9Confident51 Ų5164.5 Ų64.536%0.35735%0.347SS..Hα-helixtrans-57.3-38.7176.2-60.20000112.5H98 N99 G104 V105 Y106H98-S102 PolarHBondContact O-N 3.4Å; H98-S102 PolarHBondContact O-OG 3.47Å; N99-S102 PolarHBondContact O-N 2.96Å; S102-G104 VanDerWaalsContact C-N 3.31Å; S102-G104 PolarHBondContact O-N 3.04Å; S102-V105 PolarHBondContact O-N 3.31Å; S102-Y106 PolarHBondContact O-N 3.1Å
103N88.8Confident81.5Confident64 Ų6466.3 Ų66.334%0.34235%0.354SS..Hα-helixtrans-66.1-31.7174.2-68.1-12.5000112.9K18 N99 A100 F101K18-N103 PolarHBondContact O-ND2 3.21Å; N99-N103 VanDerWaalsContact O-CG 3.3Å; N99-N103 PolarHBondContact O-N 3.2Å; A100-N103 PolarHBondContact O-N 2.83Å; F101-N103 VanDerWaalsContact C-N 3.27Å; F101-N103 PolarHBondContact O-N 2.87Å
104G84.2Confident80.4Confident1 Ų167.3 Ų67.31%0.0136%0.363CS..Hα-helixtrans-71.7-38.9175.100000112.6A100 F101 S102 Y106 K107 I109A100-G104 PolarHBondContact O-N 2.69Å; A100-G104 VanDerWaalsContact O-N 3.13Å; F101-G104 WeakPolarHBondContact O-CA 3.43Å; F101-G104 PolarHBondContact O-N 3.47Å; S102-G104 VanDerWaalsContact C-N 3.31Å; S102-G104 PolarHBondContact O-N 3.04Å; G104-Y106 VanDerWaalsContact C-N 3.27Å; G104-Y106 PolarHBondContact O-N 3.01Å; G104-K107 PolarHBondContact O-N 2.84Å; G104-K107 VanDerWaalsContact O-N 3.09Å; G104-I109 WeakPolarHBondContact O-CB 3.38Å; G104-I109 PolarHBondContact O-N 3.1Å
105V80.7Confident79.6Confident84 Ų8468.7 Ų68.751%0.50938%0.376SS..Hα-helixtrans-60-39.5174175.80000111F101 S102 K107 D108F101-V105 HydrophobicContact CD1-CG2 4.35Å; F101-V105 HydrophobicContact CE1-CG2 3.91Å; F101-V105 HydrophobicContact CE2-CG2 4.35Å; F101-V105 HydrophobicContact CZ-CG2 3.91Å; F101-V105 PolarHBondContact O-N 2.97Å; S102-V105 PolarHBondContact O-N 3.31Å; V105-K107 PolarHBondContact O-N 2.97Å; V105-D108 PolarHBondContact O-N 3.47Å
106Y69.6Low79Confident208 Ų20867.3 Ų67.382%0.81637%0.365SS*.Hα-helixtrans-64.9-24.1176.6-174.1-95000113.8S102 G104 D108S102-Y106 PolarHBondContact O-N 3.1Å; G104-Y106 VanDerWaalsContact C-N 3.27Å; G104-Y106 PolarHBondContact O-N 3.01Å; Y106-D108 VanDerWaalsContact C-N 3.3Å; Y106-D108 PolarHBondContact O-N 3.41Å
107K73.6Confident78.8Confident74 Ų7467.3 Ų67.332%0.32237%0.365SS..THydrogen-bonded Turntrans-88.114.2-180-76.9-173.5166.7-160.90114E13 T16 G104 V105 I109E13-K107 PolarHBondContact O-NZ 3.49Å; T16-K107 WeakPolarHBondContact O-CD 3.47Å; T16-K107 PolarHBondContact O-NZ 2.8Å; G104-K107 PolarHBondContact O-N 2.84Å; G104-K107 VanDerWaalsContact O-N 3.09Å; V105-K107 PolarHBondContact O-N 2.97Å; K107-I109 HydrophobicContact CB-CG1 4.36Å; K107-I109 PolarHBondContact O-N 3.34Å
108D66.6Low78.7Confident127 Ų12770 Ų7068%0.67938%0.376SS*.THydrogen-bonded Turntrans54.533-173.1-69.5-37.3000113.6V105 Y106 K110V105-D108 PolarHBondContact O-N 3.47Å; Y106-D108 VanDerWaalsContact C-N 3.3Å; Y106-D108 PolarHBondContact O-N 3.41Å; D108-K110 WeakPolarHBondContact O-CG 3.37Å; D108-K110 PolarHBondContact O-N 3.14Å
109I65Low78.7Confident14 Ų1464.4 Ų64.47%0.07235%0.35CS..  trans-68.777.5161.2-57.7177.9000105.8G104 K107 G111 E113G104-I109 WeakPolarHBondContact O-CB 3.38Å; G104-I109 PolarHBondContact O-N 3.1Å; K107-I109 HydrophobicContact CB-CG1 4.36Å; K107-I109 PolarHBondContact O-N 3.34Å; I109-G111 PolarHBondContact O-N 2.82Å; I109-E113 HydrophobicContact CG2-CB 3.64Å
110K55.8Low78.7Confident160 Ų16064.1 Ų64.170%0.69635%0.346SS*.  trans-54.1138.9-168.6-72.1179.8-176.9178.80109D108 G112 E113D108-K110 WeakPolarHBondContact O-CG 3.37Å; D108-K110 PolarHBondContact O-N 3.14Å; K110-G112 PolarHBondContact O-N 2.91Å; K110-E113 PolarHBondContact O-N 3.02Å
111G55.7Low78.9Confident72 Ų7265.2 Ų65.274%0.74235%0.351SS*.THydrogen-bonded Turntrans-51.2-7.6-161.600000118.8I109I109-G111 PolarHBondContact O-N 2.82Å
112G61.8Low79.1Confident61 Ų6162.8 Ų62.863%0.62934%0.34SS*.THydrogen-bonded Turntrans-71.3-27.3167.200000114.2K110 S115K110-G112 PolarHBondContact O-N 2.91Å; G112-S115 PolarHBondContact O-OG 2.83Å
113E68Low79.4Confident73 Ų7363 Ų6334%0.34134%0.336SS..SBendtrans-88.5-13.6-178.5-69.3-171.3-16800113.9I109 K110 S115 R116 L117 T157I109-E113 HydrophobicContact CG2-CB 3.64Å; K110-E113 PolarHBondContact O-N 3.02Å; E113-S115 PolarHBondContact O-N 2.88Å; E113-S115 VanDerWaalsContact O-N 3.17Å; E113-R116 WeakPolarHBondContact O-CA 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.29Å; E113-R116 PolarHBondContact O-N 2.55Å; E113-L117 PolarHBondContact O-N 3.48Å; E113-T157 HydrophobicContact CB-CG2 4.16Å; E113-T157 HydrophobicContact CG-CG2 4.13Å; E113-T157 WeakPolarHBondContact OE2-CG2 3.32Å; E113-T157 PolarHBondContact OE2-OG1 3.24Å
114A73.2Confident79.8Confident23 Ų2360.5 Ų60.519%0.1932%0.323CS..G310 helixtrans-55.4-36.3179.700000112.9F101 R116F101-A114 HydrophobicContact CE2-CB 3.71Å; F101-A114 HydrophobicContact CZ-CB 4.15Å; A114-R116 PolarHBondContact O-N 2.98Å
115S80.1Confident80.4Confident62 Ų6263.3 Ų63.343%0.43434%0.338SS..G310 helixtrans-70.5-21.4176.659.90000113.2G112 E113G112-S115 PolarHBondContact O-OG 2.83Å; E113-S115 PolarHBondContact O-N 2.88Å; E113-S115 VanDerWaalsContact O-N 3.17Å
116R84.7Confident81.2Confident84 Ų8465.7 Ų65.732%0.31734%0.343SS..G310 helixtrans-97.4-3.6-175-56.617072.1133.3-4.7112.7E113 A114 Y118 T157 K158 D160E113-R116 WeakPolarHBondContact O-CA 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.29Å; E113-R116 PolarHBondContact O-N 2.55Å; A114-R116 PolarHBondContact O-N 2.98Å; R116-Y118 PolarHBondContact O-N 2.83Å; R116-T157 HydrophobicContact CB-CG2 4.01Å; R116-K158 PolarHBondContact NE-O 3.2Å; R116-K158 PolarHBondContact NH2-O 3.17Å; R116-K158 PolarHBondContact O-N 3.34Å; R116-K158 VanDerWaalsContact O-N 3.08Å; R116-D160 VanDerWaalsContact CZ-CG 3.41Å; R116-D160 IonicContact CZ-OD1 3.02Å; R116-D160 IonicContact CZ-OD2 3.42Å; R116-D160 IonicContact NH1-OD1 3.84Å; R116-D160 IonicContact NH1-OD2 2.68Å; R116-D160 PolarHBondContact NH1-OD2 2.87Å; R116-D160 VanDerWaalsContact NH2-N 3.12Å; R116-D160 IonicContact NH2-OD1 2.74Å; R116-D160 PolarHBondContact NH2-OD1 2.98Å; R116-D160 IonicContact NH2-OD2 3.48Å; R116-D160 PolarHBondContact NH2-OD2 2.97Å
117L90.5Very high82.5Confident2 Ų256.1 Ų56.11%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-66.3132.2174.8-70.1175.3000110.6T42 L43 F101 E113 L155 A156T42-L117 WeakPolarHBondContact CA-O 3.35Å; L43-L117 HydrophobicContact CB-CB 4.14Å; L43-L117 HydrophobicContact CD2-CB 4.36Å; L43-L117 HydrophobicContact CD2-CD1 4.13Å; L43-L117 PolarHBondContact N-O 2.74Å; F101-L117 HydrophobicContact CD2-CD1 3.97Å; F101-L117 HydrophobicContact CE2-CD1 4.28Å; E113-L117 PolarHBondContact O-N 3.48Å; L117-L155 HydrophobicContact CD2-CB 4.42Å; L117-A156 WeakPolarHBondContact CA-O 3.49Å
118Y92.9Very high83.6Confident58 Ų5856.5 Ų56.523%0.22732%0.317CS..EExtended strand (participates in β ladder)trans-132158172.774-80.3000110.9M41 R116 K120 L155 A156 K158M41-Y118 WeakPolarHBondContact O-CA 3.41Å; M41-Y118 WeakPolarHBondContact O-CB 3.42Å; R116-Y118 PolarHBondContact O-N 2.83Å; Y118-K120 HydrophobicContact CD2-CB 4.43Å; Y118-K120 HydrophobicContact CE2-CB 3.75Å; Y118-K120 HydrophobicContact CE2-CG 4.18Å; Y118-K120 PolarHBondContact O-N 3.2Å; Y118-K120 VanDerWaalsContact O-N 3.08Å; Y118-L155 VanDerWaalsContact O-CA 3.26Å; Y118-L155 WeakPolarHBondContact O-CA 3.39Å; Y118-A156 WeakPolarHBondContact CD1-O 3.2Å; Y118-A156 HydrophobicContact CE1-CB 3.94Å; Y118-A156 WeakPolarHBondContact CE1-O 3.3Å; Y118-A156 PolarHBondContact N-O 3.02Å; Y118-A156 PolarHBondContact O-N 3Å; Y118-A156 VanDerWaalsContact O-N 3.11Å; Y118-K158 HydrophobicContact CD1-CB 3.84Å; Y118-K158 HydrophobicContact CE1-CB 4Å; Y118-K158 HydrophobicContact CE1-CG 4.46Å
119I94.9Very high85Confident0 Ų056.2 Ų56.20%031%0.31CS..EExtended strand (participates in β ladder)trans-78.494.3178.2-58.8169.5000108.4V38 G40 M41 A46 L97 I122 V153 L155V38-I119 HydrophobicContact CB-CD1 3.98Å; V38-I119 HydrophobicContact CG2-CD1 4.05Å; V38-I119 WeakPolarHBondContact O-CD1 3.29Å; G40-I119 VanDerWaalsContact CA-O 3.3Å; G40-I119 WeakPolarHBondContact CA-O 3.25Å; G40-I119 PolarHBondContact N-O 3.12Å; M41-I119 PolarHBondContact O-N 2.86Å; A46-I119 HydrophobicContact CB-CD1 3.59Å; L97-I119 HydrophobicContact CD1-CD1 4.3Å; L97-I119 HydrophobicContact CD2-CD1 3.78Å; L97-I119 HydrophobicContact CD2-CG1 4.07Å; I119-I122 HydrophobicContact CG2-CB 3.96Å; I119-I122 HydrophobicContact CG2-CG2 4.06Å; I119-V153 HydrophobicContact CG2-CG1 4.48Å; I119-L155 HydrophobicContact CB-CD2 4.21Å; I119-L155 HydrophobicContact CG1-CD2 3.59Å
120K93.7Very high86.5Confident65 Ų6559.3 Ų59.328%0.28333%0.325SS..EExtended strand (participates in β ladder)trans-71-47.9177.7-174.3170.2-174.4173.10110.9W6 D12 Y118 I154 A156W6-K120 HydrophobicContact CH2-CD 3.65Å; W6-K120 VanDerWaalsContact CH2-CE 3.41Å; W6-K120 HydrophobicContact CZ2-CD 4.01Å; W6-K120 HydrophobicContact CZ3-CD 4.28Å; D12-K120 IonicContact OD2-NZ 3.46Å; Y118-K120 HydrophobicContact CD2-CB 4.43Å; Y118-K120 HydrophobicContact CE2-CB 3.75Å; Y118-K120 HydrophobicContact CE2-CG 4.18Å; Y118-K120 PolarHBondContact O-N 3.2Å; Y118-K120 VanDerWaalsContact O-N 3.08Å; K120-I154 PolarHBondContact N-O 2.81Å; K120-I154 VanDerWaalsContact N-O 3.11Å; K120-A156 HydrophobicContact CB-CB 4.03Å; K120-A156 HydrophobicContact CD-CB 3.73Å; K120-A156 HydrophobicContact CG-CB 4.5Å
121H95.1Very high88.3Confident23 Ų2361.9 Ų61.911%0.10633%0.33CS..EExtended strand (participates in β ladder)trans-135.2137.7179.6-178.564000111.3S5 W6 E152 V153 I154S5-H121 PolarHBondContact OG-CE1 3.42Å; S5-H121 PolarHBondContact OG-NE2 3.37Å; W6-H121 HydrophobicContact CB-CB 4.47Å; H121-E152 IonicContact NE2-OE1 3.66Å; H121-V153 WeakPolarHBondContact O-CA 3.47Å; H121-I154 HydrophobicContact CB-CB 4.18Å; H121-I154 HydrophobicContact CB-CD1 4.5Å; H121-I154 PolarHBondContact N-O 3.1Å; H121-I154 VanDerWaalsContact N-O 3.15Å; H121-I154 PolarHBondContact O-N 3.25Å
122I96.6Very high90.3Very high13 Ų1364 Ų647%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-145.2130.3170.8-175.2167.8000107.9A35 V38 K39 L93 I119 E152 V153A35-I122 HydrophobicContact CB-CD1 3.64Å; A35-I122 HydrophobicContact CB-CG1 3.83Å; A35-I122 HydrophobicContact CB-CG2 4.42Å; A35-I122 WeakPolarHBondContact O-CG2 3.5Å; V38-I122 HydrophobicContact CG2-CD1 3.82Å; K39-I122 HydrophobicContact CB-CG2 3.72Å; K39-I122 HydrophobicContact CD-CG2 4.32Å; K39-I122 HydrophobicContact CG-CG2 3.97Å; L93-I122 HydrophobicContact CD2-CD1 3.91Å; I119-I122 HydrophobicContact CG2-CB 3.96Å; I119-I122 HydrophobicContact CG2-CG2 4.06Å; I122-E152 WeakPolarHBondContact CA-O 3.41Å; I122-V153 HydrophobicContact CB-CG2 4.3Å; I122-V153 HydrophobicContact CD1-CG2 3.7Å; I122-V153 HydrophobicContact CG1-CG2 3.7Å
123Q96.1Very high92Very high55 Ų5569.5 Ų69.526%0.25732%0.318SS..EExtended strand (participates in β ladder)trans-136.8142.6-179.9178.4166.6-25.300111.1S5 N125 V151 E152S5-Q123 PolarHBondContact OG-OE1 3.15Å; Q123-N125 PolarHBondContact NE2-ND2 3.44Å; Q123-N125 PolarHBondContact NE2-OD1 3.41Å; Q123-V151 WeakPolarHBondContact O-CA 3.45Å; Q123-E152 HydrophobicContact CB-CG 3.88Å; Q123-E152 PolarHBondContact N-O 3.44Å; Q123-E152 PolarHBondContact O-N 3.26Å
124V97.5Very high93.4Very high12 Ų1268.4 Ų68.47%0.07332%0.316CS..EExtended strand (participates in β ladder)trans-124117.2177.2-175.80000107.5F28 M31 A35 C149 H150 V151F28-V124 HydrophobicContact CD2-CG1 3.77Å; F28-V124 HydrophobicContact CE2-CB 4.48Å; F28-V124 HydrophobicContact CE2-CG1 3.85Å; F28-V124 WeakPolarHBondContact CE2-O 3.44Å; M31-V124 HydrophobicContact CB-CG1 4.08Å; M31-V124 HydrophobicContact CG-CB 4.49Å; M31-V124 HydrophobicContact CG-CG1 3.74Å; M31-V124 HydrophobicContact CG-CG2 3.84Å; A35-V124 HydrophobicContact CB-CG2 3.41Å; A35-V124 VanDerWaalsContact CB-CG2 3.41Å; V124-C149 HydrophobicContact CG1-CB 3.78Å; V124-H150 CarbonylContact C-O 3.42Å; V124-H150 WeakPolarHBondContact CA-O 3.17Å; V124-V151 HydrophobicContact CG1-CG2 4.37Å; V124-V151 HydrophobicContact CG2-CG1 4.23Å; V124-V151 HydrophobicContact CG2-CG2 4.37Å
125N96.9Very high94.5Very high60 Ų6075.5 Ų75.532%0.32134%0.339SS..EExtended strand (participates in β ladder)trans-107.4151.5176.4-67.3-31.4000110.5Q123 C149 H150Q123-N125 PolarHBondContact NE2-ND2 3.44Å; Q123-N125 PolarHBondContact NE2-OD1 3.41Å; N125-C149 CarbonylContact O-C 3.59Å; N125-C149 WeakPolarHBondContact O-CA 3.27Å; N125-C149 VanDerWaalsContact O-CB 3.28Å; N125-C149 WeakPolarHBondContact O-CB 3.24Å; N125-H150 HydrophobicContact CB-CB 4.33Å; N125-H150 PolarHBondContact N-O 3.16Å; N125-H150 PolarHBondContact O-N 3.14Å
126Q96.8Very high95.3Very high133 Ų13378.8 Ų78.862%0.62134%0.342SS*.EExtended strand (participates in β ladder)trans-70.2135.9172.9-64.6-177.18.300109.6F28F28-Q126 HydrophobicContact CD1-CG 3.79Å; F28-Q126 HydrophobicContact CD2-CB 4.38Å; F28-Q126 HydrophobicContact CD2-CG 3.63Å; F28-Q126 HydrophobicContact CE1-CG 3.71Å; F28-Q126 HydrophobicContact CE2-CB 4.44Å; F28-Q126 HydrophobicContact CE2-CG 3.54Å; F28-Q126 HydrophobicContact CG-CG 3.77Å; F28-Q126 HydrophobicContact CZ-CG 3.58Å
127A96.7Very high95.9Very high8 Ų877.7 Ų77.77%0.06635%0.351CS..PPolyproline II helixtrans-100.4159.6171.300000110.2Y23 K129 P148 H150Y23-A127 HydrophobicContact CD1-CB 4.22Å; A127-K129 PolarHBondContact O-N 3.01Å; A127-P148 HydrophobicContact CB-CB 4.03Å; A127-P148 HydrophobicContact CB-CG 3.86Å; A127-P148 PolarHBondContact N-O 2.67Å; A127-H150 WeakPolarHBondContact CA-NE2 3.18Å; A127-H150 VanDerWaalsContact CB-NE2 3.27Å; A127-H150 WeakPolarHBondContact CB-NE2 3.28Å
128P97Very high96.2Very high81 Ų8186.2 Ų86.253%0.52639%0.39SS..PPolyproline II helixtrans-47.5130.8173.7-30.635.7000112.7Y23 P148Y23-P128 HydrophobicContact CE1-CG 3.95Å; P128-P148 WeakPolarHBondContact O-CG 3.3Å
129K96.5Very high96.3Very high121 Ų12187 Ų8753%0.52642%0.416SS..PPolyproline II helixtrans-68.4137-177.2-66.3-179.3-175.6170.50110.5A127 M145 C146A127-K129 PolarHBondContact O-N 3.01Å; K129-M145 HydrophobicContact CB-CB 4.42Å; K129-M145 HydrophobicContact CB-SD 4.29Å; K129-M145 HydrophobicContact CD-CB 4.36Å; K129-M145 HydrophobicContact CD-CE 4.29Å; K129-M145 HydrophobicContact CD-SD 3.65Å; K129-C146 VanDerWaalsContact CA-O 3.3Å; K129-C146 WeakPolarHBondContact CA-O 3.25Å
130M95.2Very high96.4Very high79 Ų7993.1 Ų93.139%0.38944%0.439SS..BIsolated β-bridgetrans-91.4131.3173-56.4171.5173.200109.5M145 C146 P148M130-M145 CarbonylContact O-C 3.57Å; M130-M145 WeakPolarHBondContact O-CA 3.45Å; M130-C146 HydrophobicContact CB-CB 4.07Å; M130-C146 PolarHBondContact N-O 3.34Å; M130-C146 VanDerWaalsContact N-O 3.1Å; M130-C146 PolarHBondContact O-N 3Å; M130-P148 HydrophobicContact CE-CG 4.36Å; M130-P148 HydrophobicContact CG-CG 4.43Å
131R95.2Very high96.5Very high214 Ų21494.3 Ų94.381%0.80845%0.448SS*.PPolyproline II helixtrans-92134.8-171.9-62.7177.469.1101.4-2.9111.6
132R96.7Very high96.6Very high117 Ų11796.1 Ų96.144%0.44246%0.458SS..  trans-137.6171.1161.9-57.4178.7-69.9-178.2-4.9108.6Y144R132-Y144 HydrophobicContact CB-CD1 4.47Å; R132-Y144 WeakPolarHBondContact CB-O 3.44Å; R132-Y144 VanDerWaalsContact CZ-CD1 3.46Å; R132-Y144 VanDerWaalsContact CZ-CE1 3.42Å; R132-Y144 PolarHBondContact N-O 3.5Å; R132-Y144 VanDerWaalsContact NH2-CD1 3.27Å; R132-Y144 PolarHBondContact O-N 2.87Å
133R96.8Very high96.6Very high177 Ų17799.6 Ų99.667%0.66848%0.481SS*.EExtended strand (participates in β ladder)trans-113150.3-179.1-62.3177.5-178.5-177.70.1110.4I141R133-I141 HydrophobicContact CB-CG2 3.96Å; R133-I141 HydrophobicContact CG-CG2 3.99Å
134T97.7Very high96.6Very high49 Ų49103.1 Ų103.130%0.30149%0.493SS..EExtended strand (participates in β ladder)trans-127.7122.3165.2-64.40000108.2N142 Y144T134-N142 PolarHBondContact N-O 3.02Å; T134-N142 PolarHBondContact O-N 3.26Å; T134-Y144 VanDerWaalsContact OG1-CB 3.3Å; T134-Y144 WeakPolarHBondContact OG1-CB 3.35Å
135Y96.9Very high96.6Very high172 Ų172106.5 Ų106.568%0.67551%0.509SS*.EExtended strand (participates in β ladder)trans-75.9137.7176.3-57.9-70.8000110.3I141Y135-I141 HydrophobicContact CD1-CG1 4.08Å; Y135-I141 HydrophobicContact CE1-CD1 4.21Å; Y135-I141 HydrophobicContact CE1-CG1 4.24Å
136R97.2Very high96.5Very high132 Ų132104.8 Ų104.850%0.49850%0.502SS..EExtended strand (participates in β ladder)trans-126.6164.1-177.4-59.2-60.1-66-115.10.3110.1R140 N142R136-R140 HydrophobicContact CB-CB 4.04Å; R136-R140 PolarHBondContact N-O 3.32Å; R136-R140 PolarHBondContact O-N 3.19Å; R136-N142 HydrophobicContact CG-CB 4.09Å
137A97.1Very high96.5Very high61 Ų61101 Ų10150%0.50449%0.49SS..THydrogen-bonded Turntrans-53146.917800000112.1R140A137-R140 PolarHBondContact O-NE 3.41Å
138H96.6Very high96.5Very high181 Ų181100.7 Ų100.784%0.83849%0.487SS*.THydrogen-bonded Turntrans61.740-176.9-48.8-79.6000114R140H138-R140 PolarHBondContact O-N 3.21Å; H138-R140 VanDerWaalsContact O-N 3.15Å
139G95Very high96.5Very high75 Ų7596.8 Ų96.877%0.77346%0.462SS*.THydrogen-bonded Turntrans71.68173.300000115.7
140R96.7Very high96.5Very high127 Ų12792.4 Ų92.448%0.47944%0.444SS..EExtended strand (participates in β ladder)trans-75.3145.7-178.4-66.5-179.7-63.4140.7-8.2111.8R136 A137 H138R136-R140 HydrophobicContact CB-CB 4.04Å; R136-R140 PolarHBondContact N-O 3.32Å; R136-R140 PolarHBondContact O-N 3.19Å; A137-R140 PolarHBondContact O-NE 3.41Å; H138-R140 PolarHBondContact O-N 3.21Å; H138-R140 VanDerWaalsContact O-N 3.15Å
141I96.3Very high96.6Very high91 Ų9188.7 Ų88.747%0.46743%0.425SS..EExtended strand (participates in β ladder)trans-119.8118.1177-56.4177.4000109.2R133 Y135R133-I141 HydrophobicContact CB-CG2 3.96Å; R133-I141 HydrophobicContact CG-CG2 3.99Å; Y135-I141 HydrophobicContact CD1-CG1 4.08Å; Y135-I141 HydrophobicContact CE1-CD1 4.21Å; Y135-I141 HydrophobicContact CE1-CG1 4.24Å
142N97Very high96.7Very high60 Ų6078.7 Ų78.732%0.32139%0.388SS..EExtended strand (participates in β ladder)trans-106.3154.2176.7-75.711000111.4T134 R136T134-N142 PolarHBondContact N-O 3.02Å; T134-N142 PolarHBondContact O-N 3.26Å; R136-N142 HydrophobicContact CG-CB 4.09Å
143P97.1Very high96.6Very high86 Ų8673.1 Ų73.156%0.55837%0.366SS*.EExtended strand (participates in β ladder)trans-74.9138.317730.2-34.7000112.1M145P143-M145 HydrophobicContact CB-CE 4.23Å; P143-M145 HydrophobicContact CB-CG 4.22Å; P143-M145 HydrophobicContact CG-CE 4.4Å
144Y96.5Very high96.5Very high130 Ų13064.8 Ų64.851%0.5134%0.335SS..  trans-121.175.8170.6-166.2-119.7000110.5R132 T134R132-Y144 HydrophobicContact CB-CD1 4.47Å; R132-Y144 WeakPolarHBondContact CB-O 3.44Å; R132-Y144 VanDerWaalsContact CZ-CD1 3.46Å; R132-Y144 VanDerWaalsContact CZ-CE1 3.42Å; R132-Y144 PolarHBondContact N-O 3.5Å; R132-Y144 VanDerWaalsContact NH2-CD1 3.27Å; R132-Y144 PolarHBondContact O-N 2.87Å; T134-Y144 VanDerWaalsContact OG1-CB 3.3Å; T134-Y144 WeakPolarHBondContact OG1-CB 3.35Å
145M95.8Very high96.3Very high82 Ų8262.4 Ų62.440%0.40432%0.321SS..  trans-82.2140.1-170.6-67.2-179.6-75.200112.6K129 M130 P143K129-M145 HydrophobicContact CB-CB 4.42Å; K129-M145 HydrophobicContact CB-SD 4.29Å; K129-M145 HydrophobicContact CD-CB 4.36Å; K129-M145 HydrophobicContact CD-CE 4.29Å; K129-M145 HydrophobicContact CD-SD 3.65Å; M130-M145 CarbonylContact O-C 3.57Å; M130-M145 WeakPolarHBondContact O-CA 3.45Å; P143-M145 HydrophobicContact CB-CE 4.23Å; P143-M145 HydrophobicContact CB-CG 4.22Å; P143-M145 HydrophobicContact CG-CE 4.4Å
146C95.5Very high96Very high24 Ų2454.5 Ų54.516%0.16229%0.291CS..BIsolated β-bridgetrans-88.1141.6162.6-168.20000109.4K129 M130 P148K129-C146 VanDerWaalsContact CA-O 3.3Å; K129-C146 WeakPolarHBondContact CA-O 3.25Å; M130-C146 HydrophobicContact CB-CB 4.07Å; M130-C146 PolarHBondContact N-O 3.34Å; M130-C146 VanDerWaalsContact N-O 3.1Å; M130-C146 PolarHBondContact O-N 3Å; C146-P148 VanDerWaalsContact C-CD 3.42Å; C146-P148 WeakPolarHBondContact O-CD 3.37Å
147S96.2Very high95.5Very high54 Ų5448.9 Ų48.938%0.37827%0.271SS..  trans-113.877.9177.9-56.90000110.4F28F28-S147 PolarHBondContact N-O 2.93Å
148P97.7Very high94.9Very high1 Ų152.5 Ų52.51%0.00628%0.275CS..  trans-67172.1176.628.3-32000111.8L24 A127 P128 M130 C146L24-P148 VanDerWaalsContact O-CA 3.29Å; L24-P148 WeakPolarHBondContact O-CA 3.45Å; L24-P148 VanDerWaalsContact O-CB 3.23Å; L24-P148 WeakPolarHBondContact O-CB 3.48Å; A127-P148 HydrophobicContact CB-CB 4.03Å; A127-P148 HydrophobicContact CB-CG 3.86Å; A127-P148 PolarHBondContact N-O 2.67Å; P128-P148 WeakPolarHBondContact O-CG 3.3Å; M130-P148 HydrophobicContact CE-CG 4.36Å; M130-P148 HydrophobicContact CG-CG 4.43Å; C146-P148 VanDerWaalsContact C-CD 3.42Å; C146-P148 WeakPolarHBondContact O-CD 3.37Å
149C97.4Very high94.1Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-138.4154.5179.957.90000113.3L24 T26 F28 V124 N125L24-C149 WeakPolarHBondContact CB-O 3.48Å; L24-C149 PolarHBondContact N-O 3.01Å; L24-C149 PolarHBondContact O-N 3.49Å; T26-C149 PolarHBondContact OG1-SG 2.78Å; F28-C149 HydrophobicContact CB-CB 4.29Å; F28-C149 HydrophobicContact CD2-CB 3.97Å; V124-C149 HydrophobicContact CG1-CB 3.78Å; N125-C149 CarbonylContact O-C 3.59Å; N125-C149 WeakPolarHBondContact O-CA 3.27Å; N125-C149 VanDerWaalsContact O-CB 3.28Å; N125-C149 WeakPolarHBondContact O-CB 3.24Å
150H96.7Very high92.8Very high29 Ų2950 Ų5013%0.13425%0.251CS..EExtended strand (participates in β ladder)trans-96.8131.4162.4-54.5-76.2000107.9I21 P22 Y23 V124 N125 A127I21-H150 WeakPolarHBondContact O-CA 3.15Å; P22-H150 VanDerWaalsContact CA-ND1 3.35Å; P22-H150 WeakPolarHBondContact CA-ND1 3.23Å; Y23-H150 AromaticContact CD1-CE1 3.87Å; Y23-H150 AromaticContact CD2-CE1 3.81Å; Y23-H150 AromaticContact CE1-CE1 3.88Å; Y23-H150 AromaticContact CE2-CE1 3.79Å; Y23-H150 AromaticContact CG-CE1 3.83Å; Y23-H150 AromaticContact CZ-CE1 3.82Å; Y23-H150 PolarHBondContact N-CE1 3.35Å; Y23-H150 PolarHBondContact N-ND1 2.94Å; Y23-H150 VanDerWaalsContact N-ND1 3.14Å; V124-H150 CarbonylContact C-O 3.42Å; V124-H150 WeakPolarHBondContact CA-O 3.17Å; N125-H150 HydrophobicContact CB-CB 4.33Å; N125-H150 PolarHBondContact N-O 3.16Å; N125-H150 PolarHBondContact O-N 3.14Å; A127-H150 WeakPolarHBondContact CA-NE2 3.18Å; A127-H150 VanDerWaalsContact CB-NE2 3.27Å; A127-H150 WeakPolarHBondContact CB-NE2 3.28Å
151V96.9Very high91.5Very high1 Ų151.2 Ų51.21%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-122.1131.7178.8-170.40000108.7R20 I21 L24 M31 L93 L96 Q123 V124R20-V151 CarbonylContact C-O 3.09Å; R20-V151 VanDerWaalsContact CA-O 3.29Å; R20-V151 WeakPolarHBondContact CA-O 3.45Å; R20-V151 WeakPolarHBondContact CG-O 3.43Å; I21-V151 PolarHBondContact N-O 3.04Å; I21-V151 PolarHBondContact O-N 3.12Å; L24-V151 HydrophobicContact CD2-CG2 4.14Å; M31-V151 HydrophobicContact CE-CG2 4.42Å; M31-V151 HydrophobicContact CG-CG2 3.69Å; M31-V151 HydrophobicContact SD-CG2 4.21Å; L93-V151 HydrophobicContact CD2-CG1 4.04Å; L96-V151 HydrophobicContact CD2-CB 3.88Å; L96-V151 HydrophobicContact CD2-CG1 3.43Å; L96-V151 VanDerWaalsContact CD2-CG1 3.43Å; Q123-V151 WeakPolarHBondContact O-CA 3.45Å; V124-V151 HydrophobicContact CG1-CG2 4.37Å; V124-V151 HydrophobicContact CG2-CG1 4.23Å; V124-V151 HydrophobicContact CG2-CG2 4.37Å
152E96Very high90.1Very high3 Ų352.5 Ų52.51%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-128.2144173.261.6-173.8-153.200110.6Y4 S5 A19 R20 H121 I122 Q123Y4-E152 HydrophobicContact CD1-CB 3.97Å; Y4-E152 HydrophobicContact CD1-CG 4.44Å; Y4-E152 HydrophobicContact CE1-CB 3.96Å; S5-E152 WeakPolarHBondContact CB-OE1 3.46Å; S5-E152 PolarHBondContact N-OE1 3.31Å; S5-E152 PolarHBondContact OG-OE1 3.18Å; A19-E152 WeakPolarHBondContact O-CA 3.42Å; R20-E152 HydrophobicContact CB-CB 4.28Å; R20-E152 HydrophobicContact CG-CB 4.16Å; R20-E152 IonicContact CZ-OE2 2.69Å; R20-E152 IonicContact NH1-OE2 3.64Å; R20-E152 PolarHBondContact NH1-OE2 3.18Å; H121-E152 IonicContact NE2-OE1 3.66Å; I122-E152 WeakPolarHBondContact CA-O 3.41Å; Q123-E152 HydrophobicContact CB-CG 3.88Å; Q123-E152 PolarHBondContact N-O 3.44Å; Q123-E152 PolarHBondContact O-N 3.26Å
153V95.6Very high88.8Confident0 Ų054.8 Ų54.80%030%0.295CS..EExtended strand (participates in β ladder)trans-135.8139.4-179.3174.40000108.9K18 A19 L96 L97 I119 H121 I122 L155K18-V153 WeakPolarHBondContact CA-O 3.44Å; A19-V153 PolarHBondContact N-O 3.06Å; A19-V153 PolarHBondContact O-N 3.05Å; L96-V153 HydrophobicContact CD2-CB 4.32Å; L96-V153 HydrophobicContact CD2-CG2 3.55Å; L96-V153 HydrophobicContact CG-CB 4.35Å; L96-V153 HydrophobicContact CG-CG2 3.91Å; L97-V153 HydrophobicContact CD2-CG1 4.02Å; I119-V153 HydrophobicContact CG2-CG1 4.48Å; H121-V153 WeakPolarHBondContact O-CA 3.47Å; I122-V153 HydrophobicContact CB-CG2 4.3Å; I122-V153 HydrophobicContact CD1-CG2 3.7Å; I122-V153 HydrophobicContact CG1-CG2 3.7Å; V153-L155 HydrophobicContact CG1-CD2 3.71Å; V153-L155 HydrophobicContact CG1-CG 4.3Å
154I93.9Very high87.6Confident2 Ų260.1 Ų60.11%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-129.9121.8172.3-54.7175.8000107.8Y4 W6 C17 K18 K120 H121Y4-I154 HydrophobicContact CD1-CD1 4.16Å; Y4-I154 HydrophobicContact CD1-CG1 4.35Å; W6-I154 HydrophobicContact CB-CD1 4.43Å; W6-I154 HydrophobicContact CE3-CD1 3.56Å; W6-I154 HydrophobicContact CE3-CG2 4.19Å; W6-I154 HydrophobicContact CZ3-CD1 4.29Å; W6-I154 HydrophobicContact CZ3-CG2 3.9Å; W6-I154 WeakPolarHBondContact O-CD1 3.24Å; C17-I154 CarbonylContact O-C 3.58Å; C17-I154 WeakPolarHBondContact O-CA 3.45Å; K18-I154 HydrophobicContact CB-CG1 4.18Å; K120-I154 PolarHBondContact N-O 2.81Å; K120-I154 VanDerWaalsContact N-O 3.11Å; H121-I154 HydrophobicContact CB-CB 4.18Å; H121-I154 HydrophobicContact CB-CD1 4.5Å; H121-I154 PolarHBondContact N-O 3.1Å; H121-I154 VanDerWaalsContact N-O 3.15Å; H121-I154 PolarHBondContact O-N 3.25Å
155L93.3Very high86.2Confident0 Ų059.2 Ų59.20%032%0.317CS..EExtended strand (participates in β ladder)trans-99.8148.4171.8-41.9176.6000109T16 C17 L43 L97 A100 L117 Y118 I119 V153T16-L155 VanDerWaalsContact CA-O 3.26Å; T16-L155 WeakPolarHBondContact CA-O 3.14Å; T16-L155 WeakPolarHBondContact CB-O 3.32Å; C17-L155 PolarHBondContact N-O 3.46Å; C17-L155 PolarHBondContact O-N 3.02Å; C17-L155 VanDerWaalsContact SG-CB 3.53Å; L43-L155 HydrophobicContact CD1-CD1 3.95Å; L43-L155 HydrophobicContact CD2-CD1 4.13Å; L97-L155 HydrophobicContact CD2-CD2 4.17Å; A100-L155 HydrophobicContact CB-CD1 3.83Å; A100-L155 HydrophobicContact CB-CG 4.15Å; L117-L155 HydrophobicContact CD2-CB 4.42Å; Y118-L155 VanDerWaalsContact O-CA 3.26Å; Y118-L155 WeakPolarHBondContact O-CA 3.39Å; I119-L155 HydrophobicContact CB-CD2 4.21Å; I119-L155 HydrophobicContact CG1-CD2 3.59Å; V153-L155 HydrophobicContact CG1-CD2 3.71Å; V153-L155 HydrophobicContact CG1-CG 4.3Å
156A90.6Very high84.7Confident5 Ų559.7 Ų59.74%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-133.8151.9173.100000109.6K15 T16 L117 Y118 K120K15-A156 WeakPolarHBondContact O-CA 3.47Å; T16-A156 HydrophobicContact CG2-CB 3.82Å; L117-A156 WeakPolarHBondContact CA-O 3.49Å; Y118-A156 WeakPolarHBondContact CD1-O 3.2Å; Y118-A156 HydrophobicContact CE1-CB 3.94Å; Y118-A156 WeakPolarHBondContact CE1-O 3.3Å; Y118-A156 PolarHBondContact N-O 3.02Å; Y118-A156 PolarHBondContact O-N 3Å; Y118-A156 VanDerWaalsContact O-N 3.11Å; K120-A156 HydrophobicContact CB-CB 4.03Å; K120-A156 HydrophobicContact CD-CB 3.73Å; K120-A156 HydrophobicContact CG-CB 4.5Å
157T88.2Confident83.1Confident14 Ų1464 Ų649%0.08636%0.364CS..EExtended strand (participates in β ladder)trans-72.3135.7167.8-56.30000109.6K15 E113 R116K15-T157 PolarHBondContact O-N 3.06Å; K15-T157 VanDerWaalsContact O-N 3.17Å; E113-T157 HydrophobicContact CB-CG2 4.16Å; E113-T157 HydrophobicContact CG-CG2 4.13Å; E113-T157 WeakPolarHBondContact OE2-CG2 3.32Å; E113-T157 PolarHBondContact OE2-OG1 3.24Å; R116-T157 HydrophobicContact CB-CG2 4.01Å
158K83.7Confident81.5Confident137 Ų13766 Ų6660%0.59638%0.384SS*.PPolyproline II helixtrans-82.7125.5171.4-163.7178.2-179.4-1760110.1R116 Y118R116-K158 PolarHBondContact NE-O 3.2Å; R116-K158 PolarHBondContact NH2-O 3.17Å; R116-K158 PolarHBondContact O-N 3.34Å; R116-K158 VanDerWaalsContact O-N 3.08Å; Y118-K158 HydrophobicContact CD1-CB 3.84Å; Y118-K158 HydrophobicContact CE1-CB 4Å; Y118-K158 HydrophobicContact CE1-CG 4.46Å
159D79.3Confident79.5Confident93 Ų9368.3 Ų68.350%0.49740%0.403SS..PPolyproline II helixtrans-69.5136.7170.2-60.8-48.5000109.8K15 I161K15-D159 IonicContact NZ-OD1 3.81Å; K15-D159 PolarHBondContact NZ-OD1 3.44Å; D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 3.24Å
160D68.4Low77.4Confident112 Ų11274 Ų7460%0.59944%0.44SS*.  trans-76.192.1169.6-74.7-25000107.7R116 V162R116-D160 VanDerWaalsContact CZ-CG 3.41Å; R116-D160 IonicContact CZ-OD1 3.02Å; R116-D160 IonicContact CZ-OD2 3.42Å; R116-D160 IonicContact NH1-OD1 3.84Å; R116-D160 IonicContact NH1-OD2 2.68Å; R116-D160 PolarHBondContact NH1-OD2 2.87Å; R116-D160 VanDerWaalsContact NH2-N 3.12Å; R116-D160 IonicContact NH2-OD1 2.74Å; R116-D160 PolarHBondContact NH2-OD1 2.98Å; R116-D160 IonicContact NH2-OD2 3.48Å; R116-D160 PolarHBondContact NH2-OD2 2.97Å; D160-V162 HydrophobicContact CB-CG2 4.46Å; D160-V162 PolarHBondContact O-N 2.85Å
161I69.1Low75.4Confident152 Ų15281 Ų8178%0.77947%0.472SS*.  trans-77.389163.7-54.1174.9000106.2D159 P163D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 3.24Å; I161-P163 WeakPolarHBondContact O-CD 3.32Å
162V66.8Low73.5Confident117 Ų11788.9 Ų88.971%0.70951%0.514SS*.PPolyproline II helixtrans-68.9118.6165.8-178.70000106.3D160 K164D160-V162 HydrophobicContact CB-CG2 4.46Å; D160-V162 PolarHBondContact O-N 2.85Å; V162-K164 PolarHBondContact O-N 2.91Å; V162-K164 VanDerWaalsContact O-N 3.08Å
163P69.5Low71.6Confident109 Ų10994.4 Ų94.471%0.70855%0.548SS*.PPolyproline II helixtrans-59.3121.717623.9-31.2000108.2I161 V165I161-P163 WeakPolarHBondContact O-CD 3.32Å; P163-V165 PolarHBondContact O-N 3.48Å; P163-V165 VanDerWaalsContact O-N 3.11Å
164K71.8Confident69.7Low198 Ų198103.5 Ų103.586%0.86159%0.587SS**PPolyproline II helixtrans-57.5119.6173.7-170.7174.5-176.4176.60107.2V162V162-K164 PolarHBondContact O-N 2.91Å; V162-K164 VanDerWaalsContact O-N 3.08Å
165V68.1Low67.8Low110 Ų110112.3 Ų112.367%0.66763%0.625SS**PPolyproline II helixtrans-56.6124.1175.3-1770000107.1P163 A167 A169P163-V165 PolarHBondContact O-N 3.48Å; P163-V165 VanDerWaalsContact O-N 3.11Å; V165-A167 PolarHBondContact O-N 3.44Å; V165-A169 HydrophobicContact CG1-CB 4.12Å
166P63.3Low66.2Low92 Ų92122.3 Ų122.360%0.59767%0.669SS**PPolyproline II helixtrans-59.4131.6176.223.3-31000108.3A168 A169P166-A168 PolarHBondContact O-N 3.4Å; P166-A169 PolarHBondContact O-N 3.45Å
167A63.3Low64.8Low115 Ų115127.3 Ų127.395%0.9569%0.691SS**THydrogen-bonded Turntrans-58.7-8.8-174.400000114.4V165V165-A167 PolarHBondContact O-N 3.44Å
168A61.8Low63.9Low97 Ų97129.9 Ų129.980%0.80271%0.71SS**THydrogen-bonded Turntrans-97.31178.900000114.8P166P166-A168 PolarHBondContact O-N 3.4Å
169A55.7Low63.4Low49 Ų49132.6 Ų132.641%0.40572%0.722SS.*SBendtrans-75.7125.9171.800000109.5V165 P166 Q171V165-A169 HydrophobicContact CG1-CB 4.12Å; P166-A169 PolarHBondContact O-N 3.45Å; A169-Q171 PolarHBondContact O-N 3.35Å
170P53.9Low63.3Low120 Ų120136.8 Ų136.878%0.77974%0.736SS**  trans-61.2115.1176.125.1-30.8000107.6L172P170-L172 PolarHBondContact O-N 2.96Å
171Q54.9Low63.5Low174 Ų174137.4 Ų137.481%0.81373%0.733SS**  trans-56.3115.8163.9-71.7-177.83.100105.6A169 V173A169-Q171 PolarHBondContact O-N 3.35Å; Q171-V173 PolarHBondContact O-N 3.14Å
172L56.4Low63.9Low167 Ų167133.8 Ų133.887%0.87471%0.714SS**  trans-6092.5164-78.7166.4000105.6P170 K174P170-L172 PolarHBondContact O-N 2.96Å; L172-K174 PolarHBondContact O-N 3.18Å
173V55.6Low64.5Low120 Ų120135.1 Ų135.173%0.72771%0.711SS**  trans-60.195.5167.4-177.50000103.7Q171 K175Q171-V173 PolarHBondContact O-N 3.14Å; V173-K175 PolarHBondContact O-N 3.21Å
174K57.4Low65.1Low190 Ų190137.1 Ų137.183%0.82671%0.708SS**  trans-55.899.4161.1-72.1-175.9179-179.70103.6L172 K176L172-K174 PolarHBondContact O-N 3.18Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.86Å
175K53.9Low65.4Low188 Ų188132.6 Ų132.682%0.81769%0.69SS**  trans-49.5106.4170.4-92.4178.5174.2172.20104.3V173 E177V173-K175 PolarHBondContact O-N 3.21Å; K175-E177 PolarHBondContact O-N 3.02Å
176K58.3Low66Low209 Ų209132.2 Ų132.291%0.90968%0.684SS**  trans-6493169.8-80.1-178177.1175.40104.3K174 S178K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.86Å; K176-S178 PolarHBondContact O-N 3.24Å
177E62Low66.6Low110 Ų110133.8 Ų133.851%0.51469%0.685SS.*  trans-55.8128.8168.3-67.2-165.514500107K175 K179 I182K175-E177 PolarHBondContact O-N 3.02Å; E177-K179 PolarHBondContact O-N 3.21Å; E177-I182 HydrophobicContact CB-CD1 4.05Å; E177-I182 HydrophobicContact CB-CG1 4.11Å
178S69.4Low67.3Low69 Ų69136.1 Ų136.148%0.48367%0.673SS.*  trans-60.2135.6-177.981.80000108.2K176 K180 K181 I182K176-S178 PolarHBondContact O-N 3.24Å; S178-K180 PolarHBondContact O-N 3.24Å; S178-K181 WeakPolarHBondContact O-CB 3.41Å; S178-K181 PolarHBondContact O-N 3.18Å; S178-K181 PolarHBondContact OG-N 2.84Å; S178-I182 PolarHBondContact O-N 2.7Å
179K73.4Confident68Low194 Ų194138.7 Ų138.784%0.84367%0.669SS**Hα-helixtrans-51.9-27.9177.9-67.9-176.9177-177.50112.1E177 K183E177-K179 PolarHBondContact O-N 3.21Å; K179-K183 WeakPolarHBondContact O-CB 3.33Å; K179-K183 PolarHBondContact O-N 3.44Å; K179-K183 VanDerWaalsContact O-N 3.12Å
180K76.1Confident68.8Low180 Ų180141.1 Ų141.178%0.78368%0.683SS**Hα-helixtrans-66-38.2173.4-75.9-174175.7-179.30113.2S178 K184S178-K180 PolarHBondContact O-N 3.24Å; K180-K184 WeakPolarHBondContact O-CB 3.3Å; K180-K184 PolarHBondContact O-N 2.98Å
181K74Confident69.6Low126 Ų126139.1 Ų139.155%0.54868%0.677SS.*Hα-helixtrans-70.5-44.7-179.7-155.9179.7-175.9-171.30111.5S178 K183 K184 Q185S178-K181 WeakPolarHBondContact O-CB 3.41Å; S178-K181 PolarHBondContact O-N 3.18Å; S178-K181 PolarHBondContact OG-N 2.84Å; K181-K183 VanDerWaalsContact C-N 3.35Å; K181-K183 PolarHBondContact O-N 2.89Å; K181-K184 PolarHBondContact O-N 2.95Å; K181-Q185 PolarHBondContact O-N 3.02Å
182I77.6Confident69.7Low75 Ų75134.2 Ų134.239%0.38567%0.673SS.*Hα-helixtrans-59.7-45.6174.7-62.9164.8000110.4E177 S178 K184 Q185 L186E177-I182 HydrophobicContact CB-CD1 4.05Å; E177-I182 HydrophobicContact CB-CG1 4.11Å; S178-I182 PolarHBondContact O-N 2.7Å; I182-K184 VanDerWaalsContact C-N 3.33Å; I182-K184 PolarHBondContact O-N 3.02Å; I182-Q185 PolarHBondContact O-N 2.87Å; I182-L186 HydrophobicContact CG2-CD1 3.94Å; I182-L186 PolarHBondContact O-N 3.35Å
183K79.4Confident69Low146 Ų146139.5 Ų139.564%0.63569%0.689SS**Hα-helixtrans-64.2-35.6177.7-162.1176-175.9-1780112.6K179 K181 M187K179-K183 WeakPolarHBondContact O-CB 3.33Å; K179-K183 PolarHBondContact O-N 3.44Å; K179-K183 VanDerWaalsContact O-N 3.12Å; K181-K183 VanDerWaalsContact C-N 3.35Å; K181-K183 PolarHBondContact O-N 2.89Å; K183-M187 WeakPolarHBondContact O-CG 3.48Å; K183-M187 PolarHBondContact O-N 2.9Å
184K80.5Confident69.6Low151 Ų151140.5 Ų140.566%0.65769%0.687SS**Hα-helixtrans-73.9-31.6178.3-160.1175.1-173.9178.90112.8K180 K181 I182 K188K180-K184 WeakPolarHBondContact O-CB 3.3Å; K180-K184 PolarHBondContact O-N 2.98Å; K181-K184 PolarHBondContact O-N 2.95Å; I182-K184 VanDerWaalsContact C-N 3.33Å; I182-K184 PolarHBondContact O-N 3.02Å; K184-K188 PolarHBondContact O-N 3.35Å
185Q78.8Confident70.3Confident102 Ų102137.8 Ų137.848%0.47768%0.68SS.*Hα-helixtrans-69.1-47.7171.9-106.2163.5-37.700111.5K181 I182 M187 K188 E189K181-Q185 PolarHBondContact O-N 3.02Å; I182-Q185 PolarHBondContact O-N 2.87Å; Q185-M187 VanDerWaalsContact C-N 3.3Å; Q185-M187 PolarHBondContact O-N 2.85Å; Q185-K188 PolarHBondContact O-N 2.92Å; Q185-E189 PolarHBondContact O-N 3.48Å
186L80.8Confident71.2Confident102 Ų102135.1 Ų135.153%0.53467%0.672SS.*Hα-helixtrans-58.1-40.3175.1-81.9158.3000112.5I182 S190I182-L186 HydrophobicContact CG2-CD1 3.94Å; I182-L186 PolarHBondContact O-N 3.35Å; L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 3.17Å
187M76.6Confident71.9Confident126 Ų126130.7 Ų130.762%0.62166%0.658SS**Hα-helixtrans-70.9-27.5176.2-72.4-170.699.500113.7K183 Q185 S190 A191K183-M187 WeakPolarHBondContact O-CG 3.48Å; K183-M187 PolarHBondContact O-N 2.9Å; Q185-M187 VanDerWaalsContact C-N 3.3Å; Q185-M187 PolarHBondContact O-N 2.85Å; M187-S190 WeakPolarHBondContact CA-OG 3.14Å; M187-S190 PolarHBondContact O-OG 2.82Å; M187-A191 VanDerWaalsContact O-CB 3.24Å; M187-A191 WeakPolarHBondContact O-CB 3.39Å; M187-A191 PolarHBondContact O-N 2.91Å
188K77.4Confident72.6Confident164 Ų164132 Ų13271%0.71367%0.667SS**Hα-helixtrans-74.9-39.6174.2-97.8-171.5169.8-166.10111.8K184 Q185 A191K184-K188 PolarHBondContact O-N 3.35Å; Q185-K188 PolarHBondContact O-N 2.92Å; K188-A191 PolarHBondContact O-N 3.15Å
189E76.9Confident72.8Confident151 Ų151136.2 Ų136.271%0.70668%0.679SS**Hα-helixtrans-68.4-34.2176.3-75.1174.5164.900112Q185 A191Q185-E189 PolarHBondContact O-N 3.48Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 3.43Å
190S72.2Confident72.7Confident100 Ų100132.1 Ų132.170%0.69967%0.668SS**THydrogen-bonded Turntrans-78.6-11.6177.165.40000114.7L186 M187L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 3.17Å; M187-S190 WeakPolarHBondContact CA-OG 3.14Å; M187-S190 PolarHBondContact O-OG 2.82Å
191A69.7Low72.5Confident78 Ų78128.4 Ų128.465%0.64566%0.659SS**THydrogen-bonded Turntrans-110.18.5-175.100000113.9M187 K188 E189 F193M187-A191 VanDerWaalsContact O-CB 3.24Å; M187-A191 WeakPolarHBondContact O-CB 3.39Å; M187-A191 PolarHBondContact O-N 2.91Å; K188-A191 PolarHBondContact O-N 3.15Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 3.43Å; A191-F193 PolarHBondContact O-N 3.03Å; A191-F193 VanDerWaalsContact O-N 3.15Å
192G57.9Low72.3Confident71 Ų71128.6 Ų128.673%0.73267%0.668SS**  trans-76.596.9-179.700000113.2
193F40.3Very low71.9Confident277 Ų277133.5 Ų133.5100%1.21569%0.694SS**  trans-1050139.9-157.3-85.5000107.2A191A191-F193 PolarHBondContact O-N 3.03Å; A191-F193 VanDerWaalsContact O-N 3.15Å

Retrieved 193 of 193 residues in 47 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).