A0A3Q0KMJ6_SCHMA Loading...

EOG090X0HTT

Plays a role in mitochondrial morphogenesis.

AlphaFold DB (A0A5K4ENX3), UniProt , Accession A0A3Q0KMJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 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
1M36.2Very low61.4Low243 Ų243136.5 Ų136.5100%1.19769%0.686SS**  0120.40-79.8172.3164.400107.8N3M1-N3 PolarHBondContact O-N 3.14Å
2A45.3Very low63.5Low90 Ų90129.3 Ų129.374%0.74465%0.65SS**  trans-50.8124.3-170.800000110.9V4A2-V4 HydrophobicContact CB-CG2 4.1Å; A2-V4 PolarHBondContact O-N 3.13Å
3N44.5Very low65.1Low159 Ų159119.3 Ų119.385%0.8560%0.6SS**  trans-67.775.6165.8-154.4-1.9000105.7M1 N5M1-N3 PolarHBondContact O-N 3.14Å; N3-N5 PolarHBondContact O-N 3.5Å
4V49.5Very low66.3Low106 Ų106120.7 Ų120.764%0.64260%0.595SS**  trans-62.996174.7175.50000103.7A2 R6A2-V4 HydrophobicContact CB-CG2 4.1Å; A2-V4 PolarHBondContact O-N 3.13Å; V4-R6 PolarHBondContact O-N 3.22Å
5N49.2Very low66.6Low140 Ų140114.5 Ų114.575%0.74957%0.57SS**  trans-48.591.8159.4-107.3-30.8000105N3 K7N3-N5 PolarHBondContact O-N 3.5Å; N5-K7 PolarHBondContact O-N 2.95Å
6R59.1Low66.9Low216 Ų216111.8 Ų111.882%0.81556%0.562SS**  trans-6294.7165.9-72.6-166.3-171.194.5-3.3102.9V4 K8V4-R6 PolarHBondContact O-N 3.22Å; R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 3.47Å
7K63.2Low67.1Low193 Ų193115.4 Ų115.484%0.83957%0.568SS**  trans-54104.7170.6-68.6-177.8179.5179.70104.2N5 T9N5-K7 PolarHBondContact O-N 2.95Å; K7-T9 PolarHBondContact O-N 3.06Å; K7-T9 VanDerWaalsContact O-N 3.11Å
8K74Confident66.9Low126 Ų126114.8 Ų114.855%0.54857%0.568SS.*  trans-71.9108.3177.3-72-177.9-179176.90105.1R6 Y10 P152R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 3.47Å; K8-Y10 PolarHBondContact O-N 2.85Å; K8-P152 HydrophobicContact CD-CG 4.27Å
9T83.9Confident66.4Low85 Ų85117.5 Ų117.552%0.52158%0.579SS.*  trans-62.8128.9174.7-44.30000107.6K7 V38 C39 M40K7-T9 PolarHBondContact O-N 3.06Å; K7-T9 VanDerWaalsContact O-N 3.11Å; T9-V38 VanDerWaalsContact C-CG1 3.43Å; T9-V38 HydrophobicContact CG2-CG1 3.98Å; T9-V38 HydrophobicContact CG2-CG2 4.18Å; T9-V38 WeakPolarHBondContact O-CG1 3.36Å; T9-C39 WeakPolarHBondContact O-CB 3.44Å; T9-C39 PolarHBondContact O-N 3.01Å; T9-M40 PolarHBondContact O-N 2.89Å
10Y85Confident66.5Low125 Ų125116.9 Ų116.949%0.4959%0.586SS.*EExtended strand (participates in β ladder)trans-124.1154.7171.467-86.8000109.7K8 I12 V38 M40 F158K8-Y10 PolarHBondContact O-N 2.85Å; Y10-I12 HydrophobicContact CD2-CG1 4.25Å; Y10-I12 HydrophobicContact CE2-CD1 4.28Å; Y10-I12 HydrophobicContact CE2-CG1 4.44Å; Y10-V38 VanDerWaalsContact C-CG1 3.43Å; Y10-V38 VanDerWaalsContact CA-CG1 3.42Å; Y10-M40 CarbonylContact C-O 3.52Å; Y10-M40 WeakPolarHBondContact CA-O 3.45Å; Y10-F158 HydrophobicContact CE2-CE1 4.31Å
11A85.9Confident66.5Low18 Ų18117.2 Ų117.215%0.14959%0.586CS.*EExtended strand (participates in β ladder)trans-134.5140.9175.400000108.4V33 V38 M40 V41 I42A11-V33 HydrophobicContact CB-CB 4.39Å; A11-V33 HydrophobicContact CB-CG1 3.38Å; A11-V33 HydrophobicContact CB-CG2 4.04Å; A11-V38 HydrophobicContact CB-CB 4.49Å; A11-V38 HydrophobicContact CB-CG1 3.96Å; A11-V38 HydrophobicContact CB-CG2 4.28Å; A11-M40 PolarHBondContact N-O 3.28Å; A11-V41 CarbonylContact O-C 3.6Å; A11-V41 WeakPolarHBondContact O-CA 3.45Å; A11-I42 PolarHBondContact O-N 3.04Å
12I85.9Confident68.4Low50 Ų50107.3 Ų107.326%0.25654%0.54SS..EExtended strand (participates in β ladder)trans-116120.2176.3-55.9176.5000105.8Y10 R14 I42 E44 F158Y10-I12 HydrophobicContact CD2-CG1 4.25Å; Y10-I12 HydrophobicContact CE2-CD1 4.28Å; Y10-I12 HydrophobicContact CE2-CG1 4.44Å; I12-R14 HydrophobicContact CG2-CG 4.25Å; I12-I42 WeakPolarHBondContact CA-O 3.38Å; I12-I42 HydrophobicContact CG1-CB 4.3Å; I12-I42 HydrophobicContact CG1-CD1 4.36Å; I12-E44 HydrophobicContact CG2-CG 3.88Å; I12-F158 HydrophobicContact CD1-CE1 4.24Å
13I85Confident70.1Confident0 Ų0105.3 Ų105.30%052%0.52CS..EExtended strand (participates in β ladder)trans-100.1120.9176.7-59168.2000106.9F26 E29 L30 V33 V41 I42 E44 P45I13-F26 HydrophobicContact CB-CE2 4.19Å; I13-F26 HydrophobicContact CG2-CD2 3.44Å; I13-F26 VanDerWaalsContact CG2-CD2 3.44Å; I13-F26 HydrophobicContact CG2-CE2 3.39Å; I13-E29 HydrophobicContact CG1-CG 4.44Å; I13-E29 HydrophobicContact CG2-CB 4.42Å; I13-E29 HydrophobicContact CG2-CG 4.17Å; I13-L30 HydrophobicContact CD1-CB 3.97Å; I13-L30 HydrophobicContact CD1-CD1 3.42Å; I13-L30 VanDerWaalsContact CD1-CD1 3.42Å; I13-L30 HydrophobicContact CD1-CG 4.31Å; I13-V33 HydrophobicContact CD1-CB 4.22Å; I13-V33 HydrophobicContact CD1-CG1 4.38Å; I13-V33 HydrophobicContact CD1-CG2 4.29Å; I13-V33 HydrophobicContact CG1-CG2 4.12Å; I13-V41 HydrophobicContact CD1-CG1 3.55Å; I13-V41 HydrophobicContact CG1-CG1 4.11Å; I13-I42 PolarHBondContact N-O 3.44Å; I13-E44 PolarHBondContact O-N 3.47Å; I13-P45 WeakPolarHBondContact O-CD 3.47Å
14R81.4Confident72Confident139 Ų139101.8 Ų101.853%0.52550%0.498SS..PPolyproline II helixtrans-103.1147.7-178.7-65.5-169.7164.7170.9-1.1110.2I12 V16 E44I12-R14 HydrophobicContact CG2-CG 4.25Å; R14-V16 PolarHBondContact O-N 2.77Å; R14-E44 IonicContact CZ-OE1 3.65Å; R14-E44 IonicContact NE-OE1 3.35Å; R14-E44 PolarHBondContact NE-OE1 2.82Å; R14-E44 IonicContact NE-OE2 3.9Å; R14-E44 IonicContact NH2-OE1 3.68Å
15A71.1Confident73.7Confident28 Ų2899.4 Ų99.423%0.23148%0.482CS..PPolyproline II helixtrans-72.7130173.600000110Y17 P45A15-Y17 HydrophobicContact CB-CD2 3.89Å; A15-Y17 HydrophobicContact CB-CE1 4.15Å; A15-Y17 HydrophobicContact CB-CE2 3.42Å; A15-Y17 VanDerWaalsContact CB-CE2 3.42Å; A15-Y17 HydrophobicContact CB-CG 4.43Å; A15-P45 HydrophobicContact CB-CB 3.87Å; A15-P45 HydrophobicContact CB-CG 3.94Å
16V71.7Confident75.4Confident71 Ų7193.2 Ų93.243%0.4345%0.449SS..  trans-99.696.6163.7-175.90000106.8R14 N18 S22R14-V16 PolarHBondContact O-N 2.77Å; V16-N18 HydrophobicContact CG1-CB 4.01Å; V16-N18 PolarHBondContact O-N 3.02Å; V16-S22 WeakPolarHBondContact O-CB 3.49Å
17Y70.2Confident76.8Confident172 Ų17289.1 Ų89.168%0.67544%0.439SS*.  trans-76.742179.6-66.5-74.3000113A15A15-Y17 HydrophobicContact CB-CD2 3.89Å; A15-Y17 HydrophobicContact CB-CE1 4.15Å; A15-Y17 HydrophobicContact CB-CE2 3.42Å; A15-Y17 VanDerWaalsContact CB-CE2 3.42Å; A15-Y17 HydrophobicContact CB-CG 4.43Å
18N63.1Low78Confident106 Ų10687.4 Ų87.457%0.56743%0.427SS*.  trans-98.998.3178.2-69.9-14000109.8V16V16-N18 HydrophobicContact CG1-CB 4.01Å; V16-N18 PolarHBondContact O-N 3.02Å
19H58.3Low78.7Confident166 Ų16684.8 Ų84.877%0.76942%0.416SS*.G310 helixtrans59.7-175.5166.3-45.7-49.6000115.2H21 S22H19-H21 PolarHBondContact O-N 3.09Å; H19-S22 PolarHBondContact O-N 2.69Å; H19-S22 VanDerWaalsContact O-N 3.15Å; H19-S22 PolarHBondContact O-OG 2.82Å
20S67.6Low78.9Confident104 Ų10481.3 Ų81.373%0.72740%0.395SS*.G310 helixtrans-58-12.4-167.352.10000116.2
21H65.4Low79.1Confident124 Ų12479.4 Ų79.457%0.57439%0.393SS*.G310 helixtrans-98.66.2-178.8-77.3-72.2000114.8H19 E24 D25H19-H21 PolarHBondContact O-N 3.09Å; H21-E24 VanDerWaalsContact C-OE2 3.27Å; H21-E24 VanDerWaalsContact CA-OE2 3.26Å; H21-E24 WeakPolarHBondContact CA-OE2 3.4Å; H21-E24 IonicContact ND1-OE2 3.95Å; H21-E24 PolarHBondContact O-N 3.26Å; H21-E24 VanDerWaalsContact O-OE2 3.12Å; H21-D25 PolarHBondContact O-N 3.11Å
22S77.3Confident79.3Confident35 Ų3583.8 Ų83.825%0.24541%0.409CS..Hα-helixtrans-57.7-34.3-179.752.30000115.7V16 H19 F26V16-S22 WeakPolarHBondContact O-CB 3.49Å; H19-S22 PolarHBondContact O-N 2.69Å; H19-S22 VanDerWaalsContact O-N 3.15Å; H19-S22 PolarHBondContact O-OG 2.82Å; S22-F26 PolarHBondContact O-N 3.12Å
23P80.4Confident79.4Confident48 Ų4882 Ų8231%0.31240%0.4SS..Hα-helixtrans-68.2-40.8177.9-20.234.4000113.1D25 F26 E27P23-D25 PolarHBondContact O-N 2.82Å; P23-F26 WeakPolarHBondContact O-CB 3.2Å; P23-F26 PolarHBondContact O-N 2.97Å; P23-E27 WeakPolarHBondContact O-CG 3.33Å; P23-E27 PolarHBondContact O-N 3.28Å
24E84Confident79.6Confident85 Ų8582.4 Ų82.440%0.39740%0.402SS..Hα-helixtrans-71.7-32-176.9-61.976.6-165.300112.1H21 R28H21-E24 VanDerWaalsContact C-OE2 3.27Å; H21-E24 VanDerWaalsContact CA-OE2 3.26Å; H21-E24 WeakPolarHBondContact CA-OE2 3.4Å; H21-E24 IonicContact ND1-OE2 3.95Å; H21-E24 PolarHBondContact O-N 3.26Å; H21-E24 VanDerWaalsContact O-OE2 3.12Å; E24-R28 WeakPolarHBondContact O-CB 3.38Å; E24-R28 WeakPolarHBondContact O-CG 3.45Å; E24-R28 PolarHBondContact O-N 3.07Å
25D85.3Confident79.8Confident57 Ų5779.3 Ų79.331%0.30540%0.402SS..Hα-helixtrans-62.9-44.4170.9-81.2-40.9000111.3H21 P23 R28 E29H21-D25 PolarHBondContact O-N 3.11Å; P23-D25 PolarHBondContact O-N 2.82Å; D25-R28 PolarHBondContact O-N 3.15Å; D25-R28 IonicContact OD1-CZ 3.53Å; D25-R28 IonicContact OD1-NH1 3.27Å; D25-R28 PolarHBondContact OD1-NH1 3.08Å; D25-R28 IonicContact OD1-NH2 3.92Å; D25-R28 PolarHBondContact OD1-NH2 3.42Å; D25-E29 PolarHBondContact O-N 2.93Å
26F86Confident80.6Confident10 Ų1086.1 Ų86.14%0.04442%0.422CS..Hα-helixtrans-62.4-45.2175.6171-95.2000111.9I13 S22 P23 R28 E29 L30 I43 P45 L48I13-F26 HydrophobicContact CB-CE2 4.19Å; I13-F26 HydrophobicContact CG2-CD2 3.44Å; I13-F26 VanDerWaalsContact CG2-CD2 3.44Å; I13-F26 HydrophobicContact CG2-CE2 3.39Å; S22-F26 PolarHBondContact O-N 3.12Å; P23-F26 WeakPolarHBondContact O-CB 3.2Å; P23-F26 PolarHBondContact O-N 2.97Å; F26-R28 VanDerWaalsContact C-N 3.32Å; F26-R28 PolarHBondContact O-N 3.28Å; F26-E29 PolarHBondContact O-N 3.48Å; F26-L30 HydrophobicContact CE1-CB 4.45Å; F26-L30 HydrophobicContact CE1-CD2 3.91Å; F26-L30 HydrophobicContact CZ-CD2 4.21Å; F26-L30 WeakPolarHBondContact O-CB 3.48Å; F26-L30 PolarHBondContact O-N 3.21Å; F26-I43 HydrophobicContact CE2-CG2 3.71Å; F26-I43 HydrophobicContact CZ-CD1 4.18Å; F26-I43 HydrophobicContact CZ-CG1 4.3Å; F26-I43 HydrophobicContact CZ-CG2 3.73Å; F26-P45 HydrophobicContact CD2-CG 4.1Å; F26-P45 HydrophobicContact CE2-CG 3.88Å; F26-L48 HydrophobicContact CB-CD1 3.69Å; F26-L48 HydrophobicContact CD1-CB 3.92Å; F26-L48 HydrophobicContact CD1-CD1 3.78Å; F26-L48 HydrophobicContact CD1-CD2 4.31Å; F26-L48 HydrophobicContact CD1-CG 4.22Å; F26-L48 HydrophobicContact CD2-CB 4.39Å; F26-L48 HydrophobicContact CD2-CD1 3.79Å; F26-L48 HydrophobicContact CE1-CB 3.67Å; F26-L48 HydrophobicContact CE1-CD1 4.38Å; F26-L48 HydrophobicContact CE1-CG 4.46Å; F26-L48 HydrophobicContact CE2-CB 4.17Å; F26-L48 HydrophobicContact CE2-CD1 4.38Å; F26-L48 HydrophobicContact CG-CB 4.29Å; F26-L48 HydrophobicContact CG-CD1 3.46Å; F26-L48 VanDerWaalsContact CG-CD1 3.46Å; F26-L48 HydrophobicContact CG-CG 4.36Å; F26-L48 HydrophobicContact CZ-CB 3.8Å
27E87.7Confident81.2Confident130 Ų13089.7 Ų89.761%0.60743%0.431SS*.Hα-helixtrans-61.6-40.8177.7-73.6-177-178.800111.8P23 L30 D31P23-E27 WeakPolarHBondContact O-CG 3.33Å; P23-E27 PolarHBondContact O-N 3.28Å; E27-L30 PolarHBondContact O-N 2.95Å; E27-D31 WeakPolarHBondContact O-CB 3.41Å; E27-D31 PolarHBondContact O-N 3.14Å
28R87.9Confident82Confident156 Ų15681.9 Ų81.959%0.58940%0.402SS*.Hα-helixtrans-63.7-44.8174.6-80.8-172.4-86.4118.4-7.9112.5E24 D25 F26 F32E24-R28 WeakPolarHBondContact O-CB 3.38Å; E24-R28 WeakPolarHBondContact O-CG 3.45Å; E24-R28 PolarHBondContact O-N 3.07Å; D25-R28 PolarHBondContact O-N 3.15Å; D25-R28 IonicContact OD1-CZ 3.53Å; D25-R28 IonicContact OD1-NH1 3.27Å; D25-R28 PolarHBondContact OD1-NH1 3.08Å; D25-R28 IonicContact OD1-NH2 3.92Å; D25-R28 PolarHBondContact OD1-NH2 3.42Å; F26-R28 VanDerWaalsContact C-N 3.32Å; F26-R28 PolarHBondContact O-N 3.28Å; R28-F32 VanDerWaalsContact O-CB 3.3Å; R28-F32 WeakPolarHBondContact O-CB 3.43Å; R28-F32 PolarHBondContact O-N 3.4Å
29E89.1Confident83Confident71 Ų7179.5 Ų79.533%0.33239%0.393SS..Hα-helixtrans-65.3-41.4176.9-171.8178.1171.200111.2I13 D25 F26 F32 V33I13-E29 HydrophobicContact CG1-CG 4.44Å; I13-E29 HydrophobicContact CG2-CB 4.42Å; I13-E29 HydrophobicContact CG2-CG 4.17Å; D25-E29 PolarHBondContact O-N 2.93Å; F26-E29 PolarHBondContact O-N 3.48Å; E29-F32 WeakPolarHBondContact O-CB 3.39Å; E29-F32 PolarHBondContact O-N 3.15Å; E29-V33 WeakPolarHBondContact O-CB 3.27Å; E29-V33 VanDerWaalsContact O-CG2 3.3Å; E29-V33 WeakPolarHBondContact O-CG2 3.07Å; E29-V33 PolarHBondContact O-N 3.21Å
30L89.2Confident84.3Confident13 Ų1372.4 Ų72.47%0.06836%0.36CS..Hα-helixtrans-61.5-51.8176179.263.7000111I13 F26 E27 F32 V33 L34 V41 T52I13-L30 HydrophobicContact CD1-CB 3.97Å; I13-L30 HydrophobicContact CD1-CD1 3.42Å; I13-L30 VanDerWaalsContact CD1-CD1 3.42Å; I13-L30 HydrophobicContact CD1-CG 4.31Å; F26-L30 HydrophobicContact CE1-CB 4.45Å; F26-L30 HydrophobicContact CE1-CD2 3.91Å; F26-L30 HydrophobicContact CZ-CD2 4.21Å; F26-L30 WeakPolarHBondContact O-CB 3.48Å; F26-L30 PolarHBondContact O-N 3.21Å; E27-L30 PolarHBondContact O-N 2.95Å; L30-F32 VanDerWaalsContact C-N 3.26Å; L30-F32 PolarHBondContact O-N 3.37Å; L30-V33 PolarHBondContact O-N 3.1Å; L30-V33 VanDerWaalsContact O-N 3.15Å; L30-L34 HydrophobicContact CD1-CD1 3.86Å; L30-L34 HydrophobicContact CD1-CD2 4.27Å; L30-L34 HydrophobicContact CD1-CG 3.91Å; L30-L34 HydrophobicContact CD2-CD1 4.43Å; L30-L34 HydrophobicContact CG-CD1 3.74Å; L30-L34 HydrophobicContact CG-CG 4.2Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.11Å; L30-V41 HydrophobicContact CD1-CG1 4.49Å; L30-T52 HydrophobicContact CD2-CG2 4.28Å
31D88.4Confident85.2Confident85 Ų8567.4 Ų67.446%0.45533%0.326SS..Hα-helixtrans-58.9-40178.4-174.447.5000111.7E27 L34 S35E27-D31 WeakPolarHBondContact O-CB 3.41Å; E27-D31 PolarHBondContact O-N 3.14Å; D31-L34 PolarHBondContact O-N 3.42Å; D31-S35 WeakPolarHBondContact O-CB 3.44Å; D31-S35 PolarHBondContact O-N 3.18Å; D31-S35 PolarHBondContact O-OG 3.04Å
32F89.7Confident86Confident110 Ų11062.1 Ų62.148%0.48230%0.301SS..Hα-helixtrans-62.3-45.8174.7179.2-103.6000112.9R28 E29 L30 S35 R36R28-F32 VanDerWaalsContact O-CB 3.3Å; R28-F32 WeakPolarHBondContact O-CB 3.43Å; R28-F32 PolarHBondContact O-N 3.4Å; E29-F32 WeakPolarHBondContact O-CB 3.39Å; E29-F32 PolarHBondContact O-N 3.15Å; L30-F32 VanDerWaalsContact C-N 3.26Å; L30-F32 PolarHBondContact O-N 3.37Å; F32-S35 PolarHBondContact O-N 3.17Å; F32-R36 VanDerWaalsContact CE1-NE 3.31Å; F32-R36 VanDerWaalsContact CZ-NE 3.26Å; F32-R36 WeakPolarHBondContact O-CG 3.31Å; F32-R36 PolarHBondContact O-N 3.29Å
33V89.3Confident86.4Confident12 Ų1260.5 Ų60.57%0.07329%0.29CS..Hα-helixtrans-65.6-42.8177.61670000111.2A11 I13 E29 L30 S35 R36 V38 V41A11-V33 HydrophobicContact CB-CB 4.39Å; A11-V33 HydrophobicContact CB-CG1 3.38Å; A11-V33 HydrophobicContact CB-CG2 4.04Å; I13-V33 HydrophobicContact CD1-CB 4.22Å; I13-V33 HydrophobicContact CD1-CG1 4.38Å; I13-V33 HydrophobicContact CD1-CG2 4.29Å; I13-V33 HydrophobicContact CG1-CG2 4.12Å; E29-V33 WeakPolarHBondContact O-CB 3.27Å; E29-V33 VanDerWaalsContact O-CG2 3.3Å; E29-V33 WeakPolarHBondContact O-CG2 3.07Å; E29-V33 PolarHBondContact O-N 3.21Å; L30-V33 PolarHBondContact O-N 3.1Å; L30-V33 VanDerWaalsContact O-N 3.15Å; V33-S35 VanDerWaalsContact C-N 3.34Å; V33-S35 PolarHBondContact O-N 3.27Å; V33-R36 PolarHBondContact O-N 2.9Å; V33-V38 HydrophobicContact CG1-CB 4.5Å; V33-V38 HydrophobicContact CG1-CG2 4.24Å; V33-V41 HydrophobicContact CG1-CB 4.36Å; V33-V41 HydrophobicContact CG1-CG1 3.93Å; V33-V41 HydrophobicContact CG1-CG2 3.5Å
34L88.2Confident86.4Confident8 Ų862.1 Ų62.14%0.04229%0.293CS..Hα-helixtrans-66-38.6178.8-65.2174.6000111.3L30 D31 R36 K37 V41 P138 C139 Y142L30-L34 HydrophobicContact CD1-CD1 3.86Å; L30-L34 HydrophobicContact CD1-CD2 4.27Å; L30-L34 HydrophobicContact CD1-CG 3.91Å; L30-L34 HydrophobicContact CD2-CD1 4.43Å; L30-L34 HydrophobicContact CG-CD1 3.74Å; L30-L34 HydrophobicContact CG-CG 4.2Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.11Å; D31-L34 PolarHBondContact O-N 3.42Å; L34-R36 PolarHBondContact O-N 3.16Å; L34-K37 PolarHBondContact O-N 2.97Å; L34-V41 HydrophobicContact CD2-CG2 4.47Å; L34-P138 HydrophobicContact CB-CB 3.75Å; L34-P138 HydrophobicContact CD1-CB 4.16Å; L34-C139 HydrophobicContact CD1-CB 4.48Å; L34-C139 WeakPolarHBondContact CD1-SG 3.41Å; L34-Y142 HydrophobicContact CB-CE2 4.33Å; L34-Y142 HydrophobicContact CD2-CD1 4.29Å; L34-Y142 HydrophobicContact CD2-CD2 3.48Å; L34-Y142 VanDerWaalsContact CD2-CD2 3.48Å; L34-Y142 HydrophobicContact CD2-CE1 4.08Å; L34-Y142 HydrophobicContact CD2-CE2 3.24Å; L34-Y142 HydrophobicContact CD2-CG 4.01Å; L34-Y142 HydrophobicContact CG-CE2 4.35Å
35S86.1Confident86.1Confident75 Ų7558.2 Ų58.252%0.52428%0.275SS..Hα-helixtrans-60.2-30.4174.4-71.50000112.8D31 F32 V33 K37D31-S35 WeakPolarHBondContact O-CB 3.44Å; D31-S35 PolarHBondContact O-N 3.18Å; D31-S35 PolarHBondContact O-OG 3.04Å; F32-S35 PolarHBondContact O-N 3.17Å; V33-S35 VanDerWaalsContact C-N 3.34Å; V33-S35 PolarHBondContact O-N 3.27Å; S35-K37 VanDerWaalsContact C-N 3.25Å; S35-K37 PolarHBondContact O-N 3.29Å
36R87.1Confident85.7Confident171 Ų17157.5 Ų57.565%0.64527%0.27SS*.THydrogen-bonded Turntrans-76.7-2.1175.6-72179171-154.3-7.1114.6F32 V33 L34 V38F32-R36 VanDerWaalsContact CE1-NE 3.31Å; F32-R36 VanDerWaalsContact CZ-NE 3.26Å; F32-R36 WeakPolarHBondContact O-CG 3.31Å; F32-R36 PolarHBondContact O-N 3.29Å; V33-R36 PolarHBondContact O-N 2.9Å; L34-R36 PolarHBondContact O-N 3.16Å; R36-V38 VanDerWaalsContact C-N 3.26Å; R36-V38 HydrophobicContact CB-CG2 3.98Å; R36-V38 PolarHBondContact O-N 3.25Å
37K85.7Confident85.4Confident145 Ų14560.6 Ų60.663%0.6329%0.293SS*.THydrogen-bonded Turntrans52.442.7179.4-59.2177.1-175.8166.10113.1L34 S35L34-K37 PolarHBondContact O-N 2.97Å; S35-K37 VanDerWaalsContact C-N 3.25Å; S35-K37 PolarHBondContact O-N 3.29Å
38V86.9Confident85.1Confident8 Ų856.4 Ų56.45%0.04827%0.274CS..  trans-64.3140.2177-178.80000109.4T9 Y10 A11 V33 R36 M40 V41 Y142T9-V38 VanDerWaalsContact C-CG1 3.43Å; T9-V38 HydrophobicContact CG2-CG1 3.98Å; T9-V38 HydrophobicContact CG2-CG2 4.18Å; T9-V38 WeakPolarHBondContact O-CG1 3.36Å; Y10-V38 VanDerWaalsContact C-CG1 3.43Å; Y10-V38 VanDerWaalsContact CA-CG1 3.42Å; A11-V38 HydrophobicContact CB-CB 4.49Å; A11-V38 HydrophobicContact CB-CG1 3.96Å; A11-V38 HydrophobicContact CB-CG2 4.28Å; V33-V38 HydrophobicContact CG1-CB 4.5Å; V33-V38 HydrophobicContact CG1-CG2 4.24Å; R36-V38 VanDerWaalsContact C-N 3.26Å; R36-V38 HydrophobicContact CB-CG2 3.98Å; R36-V38 PolarHBondContact O-N 3.25Å; V38-M40 VanDerWaalsContact C-N 3.28Å; V38-M40 VanDerWaalsContact CG1-O 3.31Å; V38-M40 WeakPolarHBondContact CG1-O 3.46Å; V38-M40 PolarHBondContact O-N 3.38Å; V38-V41 HydrophobicContact CB-CG2 4.36Å; V38-Y142 PolarHBondContact N-OH 3.04Å; V38-Y142 VanDerWaalsContact O-CE1 3.24Å; V38-Y142 WeakPolarHBondContact O-CE1 3.16Å; V38-Y142 PolarHBondContact O-OH 3.4Å; V38-Y142 VanDerWaalsContact O-OH 3.11Å
39C84.2Confident84.9Confident57 Ų5749 Ų4939%0.38525%0.246SC..SBendtrans-69.3-28.4-175.9-610000113T9 H224T9-C39 WeakPolarHBondContact O-CB 3.44Å; T9-C39 PolarHBondContact O-N 3.01Å; C39-H224 PolarHBondContact O-N 3.31Å
40M84.7Confident84.8Confident16 Ų1648.4 Ų48.48%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-145125.9-176-177.7179.6174.600110.3T9 Y10 A11 V38 I42 L151 T155 V221 L222T9-M40 PolarHBondContact O-N 2.89Å; Y10-M40 CarbonylContact C-O 3.52Å; Y10-M40 WeakPolarHBondContact CA-O 3.45Å; A11-M40 PolarHBondContact N-O 3.28Å; V38-M40 VanDerWaalsContact C-N 3.28Å; V38-M40 VanDerWaalsContact CG1-O 3.31Å; V38-M40 WeakPolarHBondContact CG1-O 3.46Å; V38-M40 PolarHBondContact O-N 3.38Å; M40-I42 HydrophobicContact CE-CD1 3.76Å; M40-I42 HydrophobicContact CE-CG1 3.79Å; M40-I42 HydrophobicContact CG-CG1 4.47Å; M40-L151 HydrophobicContact CE-CD2 3.35Å; M40-L151 HydrophobicContact CE-CG 3.93Å; M40-T155 HydrophobicContact CE-CG2 4.43Å; M40-T155 HydrophobicContact SD-CG2 3.94Å; M40-V221 HydrophobicContact CE-CG1 3.51Å; M40-V221 HydrophobicContact CE-CG2 4.4Å; M40-V221 HydrophobicContact CG-CG1 4.14Å; M40-L222 CarbonylContact C-O 3.57Å; M40-L222 WeakPolarHBondContact CA-O 3.13Å
41V86.3Confident84.6Confident0 Ų052.2 Ų52.20%027%0.269CS..EExtended strand (participates in β ladder)trans-116.4124.9175.9-177.70000107.8A11 I13 L30 V33 L34 V38 I43 Y142 L222A11-V41 CarbonylContact O-C 3.6Å; A11-V41 WeakPolarHBondContact O-CA 3.45Å; I13-V41 HydrophobicContact CD1-CG1 3.55Å; I13-V41 HydrophobicContact CG1-CG1 4.11Å; L30-V41 HydrophobicContact CD1-CG1 4.49Å; V33-V41 HydrophobicContact CG1-CB 4.36Å; V33-V41 HydrophobicContact CG1-CG1 3.93Å; V33-V41 HydrophobicContact CG1-CG2 3.5Å; L34-V41 HydrophobicContact CD2-CG2 4.47Å; V38-V41 HydrophobicContact CB-CG2 4.36Å; V41-I43 HydrophobicContact CG1-CG1 4.43Å; V41-Y142 HydrophobicContact CG2-CD1 4.44Å; V41-Y142 HydrophobicContact CG2-CE1 3.85Å; V41-L222 HydrophobicContact CB-CB 4.13Å; V41-L222 PolarHBondContact N-O 3.01Å; V41-L222 PolarHBondContact O-N 3.43Å
42I83.5Confident84.6Confident13 Ų1348.8 Ų48.87%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-105.3118.1176.3-56.4177.5000106.7A11 I12 I13 M40 V159 P219 V221A11-I42 PolarHBondContact O-N 3.04Å; I12-I42 WeakPolarHBondContact CA-O 3.38Å; I12-I42 HydrophobicContact CG1-CB 4.3Å; I12-I42 HydrophobicContact CG1-CD1 4.36Å; I13-I42 PolarHBondContact N-O 3.44Å; M40-I42 HydrophobicContact CE-CD1 3.76Å; M40-I42 HydrophobicContact CE-CG1 3.79Å; M40-I42 HydrophobicContact CG-CG1 4.47Å; I42-V159 HydrophobicContact CD1-CG2 4.06Å; I42-P219 HydrophobicContact CG2-CB 4.22Å; I42-V221 HydrophobicContact CG1-CG2 4.47Å
43I84.5Confident84.4Confident0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-95.2110.1174.1-60.6169000107F26 V41 P45 T52 P219 V220 L222F26-I43 HydrophobicContact CE2-CG2 3.71Å; F26-I43 HydrophobicContact CZ-CD1 4.18Å; F26-I43 HydrophobicContact CZ-CG1 4.3Å; F26-I43 HydrophobicContact CZ-CG2 3.73Å; V41-I43 HydrophobicContact CG1-CG1 4.43Å; I43-P45 HydrophobicContact CG2-CG 3.8Å; I43-P45 WeakPolarHBondContact CG2-O 3.29Å; I43-T52 HydrophobicContact CD1-CG2 4.26Å; I43-P219 WeakPolarHBondContact O-CA 3.5Å; I43-P219 WeakPolarHBondContact O-CB 3.43Å; I43-V220 PolarHBondContact N-O 3.44Å; I43-V220 PolarHBondContact O-N 2.96Å; I43-L222 HydrophobicContact CD1-CD1 3.62Å; I43-L222 HydrophobicContact CD1-CG 4.23Å; I43-L222 HydrophobicContact CG1-CD1 4.46Å
44E81.1Confident84.4Confident82 Ų8253.6 Ų53.638%0.38327%0.265SS..  trans-69-43.6174.8-80.1-171-166.500113.5I12 I13 R14 E46I12-E44 HydrophobicContact CG2-CG 3.88Å; I13-E44 PolarHBondContact O-N 3.47Å; R14-E44 IonicContact CZ-OE1 3.65Å; R14-E44 IonicContact NE-OE1 3.35Å; R14-E44 PolarHBondContact NE-OE1 2.82Å; R14-E44 IonicContact NE-OE2 3.9Å; R14-E44 IonicContact NH2-OE1 3.68Å; E44-E46 PolarHBondContact O-N 3.41Å; E44-E46 VanDerWaalsContact O-N 3.1Å
45P77.1Confident84.5Confident4 Ų458.4 Ų58.43%0.02628%0.283CS..  trans-66.1113.2175.217.3-25.1000111.5I13 A15 F26 I43 S47 L48 G49I13-P45 WeakPolarHBondContact O-CD 3.47Å; A15-P45 HydrophobicContact CB-CB 3.87Å; A15-P45 HydrophobicContact CB-CG 3.94Å; F26-P45 HydrophobicContact CD2-CG 4.1Å; F26-P45 HydrophobicContact CE2-CG 3.88Å; I43-P45 HydrophobicContact CG2-CG 3.8Å; I43-P45 WeakPolarHBondContact CG2-O 3.29Å; P45-S47 VanDerWaalsContact C-N 3.32Å; P45-S47 PolarHBondContact O-N 3.32Å; P45-L48 HydrophobicContact CB-CB 4.1Å; P45-L48 HydrophobicContact CB-CD1 4.12Å; P45-L48 HydrophobicContact CB-CG 4.3Å; P45-L48 HydrophobicContact CG-CB 4.08Å; P45-L48 HydrophobicContact CG-CD1 4.02Å; P45-L48 HydrophobicContact CG-CG 4.48Å; P45-L48 PolarHBondContact O-N 3.22Å; P45-G49 PolarHBondContact O-N 3.4Å
46E77.9Confident84.6Confident42 Ų4255.2 Ų55.220%0.19626%0.26CS..Hα-helixtrans-60.7-41.6177.1-177.2172.3-148.400111.8E44 L48 G49 D50 L217 R218E44-E46 PolarHBondContact O-N 3.41Å; E44-E46 VanDerWaalsContact O-N 3.1Å; E46-L48 PolarHBondContact O-N 3.15Å; E46-G49 PolarHBondContact O-N 2.85Å; E46-D50 VanDerWaalsContact O-CB 3.27Å; E46-D50 WeakPolarHBondContact O-CB 3.3Å; E46-D50 PolarHBondContact O-N 3.5Å; E46-L217 HydrophobicContact CB-CD2 4.21Å; E46-L217 WeakPolarHBondContact OE2-CA 3.31Å; E46-R218 PolarHBondContact OE1-N 3.27Å
47S79.9Confident84.7Confident74 Ų7454 Ų5452%0.51726%0.255SS..Hα-helixtrans-61.7-45.3-178.656.10000113P45 V51P45-S47 VanDerWaalsContact C-N 3.32Å; P45-S47 PolarHBondContact O-N 3.32Å; S47-V51 WeakPolarHBondContact O-CG2 3.45Å; S47-V51 PolarHBondContact O-N 3.34Å
48L80.8Confident84.8Confident42 Ų4250.4 Ų50.422%0.2225%0.245CC..Hα-helixtrans-76.9-38.5179.1-63.4171.2000111.1F26 P45 E46 D50 V51 T52F26-L48 HydrophobicContact CB-CD1 3.69Å; F26-L48 HydrophobicContact CD1-CB 3.92Å; F26-L48 HydrophobicContact CD1-CD1 3.78Å; F26-L48 HydrophobicContact CD1-CD2 4.31Å; F26-L48 HydrophobicContact CD1-CG 4.22Å; F26-L48 HydrophobicContact CD2-CB 4.39Å; F26-L48 HydrophobicContact CD2-CD1 3.79Å; F26-L48 HydrophobicContact CE1-CB 3.67Å; F26-L48 HydrophobicContact CE1-CD1 4.38Å; F26-L48 HydrophobicContact CE1-CG 4.46Å; F26-L48 HydrophobicContact CE2-CB 4.17Å; F26-L48 HydrophobicContact CE2-CD1 4.38Å; F26-L48 HydrophobicContact CG-CB 4.29Å; F26-L48 HydrophobicContact CG-CD1 3.46Å; F26-L48 VanDerWaalsContact CG-CD1 3.46Å; F26-L48 HydrophobicContact CG-CG 4.36Å; F26-L48 HydrophobicContact CZ-CB 3.8Å; P45-L48 HydrophobicContact CB-CB 4.1Å; P45-L48 HydrophobicContact CB-CD1 4.12Å; P45-L48 HydrophobicContact CB-CG 4.3Å; P45-L48 HydrophobicContact CG-CB 4.08Å; P45-L48 HydrophobicContact CG-CD1 4.02Å; P45-L48 HydrophobicContact CG-CG 4.48Å; P45-L48 PolarHBondContact O-N 3.22Å; E46-L48 PolarHBondContact O-N 3.15Å; L48-D50 VanDerWaalsContact C-N 3.29Å; L48-D50 PolarHBondContact O-N 2.82Å; L48-V51 PolarHBondContact O-N 2.7Å; L48-T52 PolarHBondContact O-N 2.93Å; L48-T52 PolarHBondContact O-OG1 3.22Å
49G84.1Confident84.8Confident0 Ų050 Ų500%024%0.243CC..Hα-helixtrans-58.6-40.8173.800000112.4P45 E46 T52 W53 V220P45-G49 PolarHBondContact O-N 3.4Å; E46-G49 PolarHBondContact O-N 2.85Å; G49-T52 PolarHBondContact O-N 2.76Å; G49-W53 VanDerWaalsContact O-CB 3.29Å; G49-W53 WeakPolarHBondContact O-CB 3.39Å; G49-W53 PolarHBondContact O-N 2.74Å; G49-V220 VanDerWaalsContact C-CG2 3.45Å
50D85.4Confident84.9Confident60 Ų6049.4 Ų49.432%0.32124%0.236SC..Hα-helixtrans-65.1-37.9176.4-88.1-8.9000112.3E46 L48 W53 R54E46-D50 VanDerWaalsContact O-CB 3.27Å; E46-D50 WeakPolarHBondContact O-CB 3.3Å; E46-D50 PolarHBondContact O-N 3.5Å; L48-D50 VanDerWaalsContact C-N 3.29Å; L48-D50 PolarHBondContact O-N 2.82Å; D50-W53 PolarHBondContact O-N 2.92Å; D50-R54 WeakPolarHBondContact O-CB 3.48Å; D50-R54 VanDerWaalsContact O-CG 3.23Å; D50-R54 WeakPolarHBondContact O-CG 3.23Å; D50-R54 PolarHBondContact O-N 3.11Å
51V86.1Confident85Confident93 Ų9356.3 Ų56.356%0.56426%0.261SS*.Hα-helixtrans-63.3-49.4174.5174.10000110.1S47 L48 W53 R54 W55S47-V51 WeakPolarHBondContact O-CG2 3.45Å; S47-V51 PolarHBondContact O-N 3.34Å; L48-V51 PolarHBondContact O-N 2.7Å; V51-W53 VanDerWaalsContact C-N 3.29Å; V51-W53 PolarHBondContact O-N 2.95Å; V51-R54 PolarHBondContact O-N 3.17Å; V51-W55 PolarHBondContact O-N 2.78Å
52T87.6Confident85Confident12 Ų1257.3 Ų57.37%0.07427%0.267CS..Hα-helixtrans-60.5-40176.1-50.10000111.6L30 I43 L48 G49 W55 I56 L222L30-T52 HydrophobicContact CD2-CG2 4.28Å; I43-T52 HydrophobicContact CD1-CG2 4.26Å; L48-T52 PolarHBondContact O-N 2.93Å; L48-T52 PolarHBondContact O-OG1 3.22Å; G49-T52 PolarHBondContact O-N 2.76Å; T52-W55 WeakPolarHBondContact O-CB 3.22Å; T52-W55 PolarHBondContact O-N 2.96Å; T52-I56 HydrophobicContact CG2-CD1 4.11Å; T52-I56 WeakPolarHBondContact O-CG1 3.46Å; T52-I56 PolarHBondContact O-N 2.83Å; T52-L222 HydrophobicContact CG2-CD1 3.95Å
53W86.6Confident84.9Confident63 Ų6356.9 Ų56.924%0.23926%0.264CS..Hα-helixtrans-62.3-46.4175.9-178.699000112.1G49 D50 V51 W55 I56 R57 A144 V220G49-W53 VanDerWaalsContact O-CB 3.29Å; G49-W53 WeakPolarHBondContact O-CB 3.39Å; G49-W53 PolarHBondContact O-N 2.74Å; D50-W53 PolarHBondContact O-N 2.92Å; V51-W53 VanDerWaalsContact C-N 3.29Å; V51-W53 PolarHBondContact O-N 2.95Å; W53-W55 VanDerWaalsContact C-N 3.31Å; W53-W55 PolarHBondContact O-N 3.37Å; W53-I56 PolarHBondContact O-N 3.36Å; W53-R57 HydrophobicContact CE3-CB 4.47Å; W53-R57 VanDerWaalsContact O-CB 3.25Å; W53-R57 WeakPolarHBondContact O-CB 3.43Å; W53-R57 PolarHBondContact O-N 3Å; W53-A144 HydrophobicContact CG-CB 4.15Å; W53-V220 HydrophobicContact CB-CG1 4.14Å; W53-V220 HydrophobicContact CB-CG2 4.48Å
54R88.6Confident84.9Confident161 Ų16163 Ų6361%0.60829%0.291SS*.Hα-helixtrans-61-42.8176.9-75.4175.1-174.5-168.92.7110.2D50 V51 R57 T58D50-R54 WeakPolarHBondContact O-CB 3.48Å; D50-R54 VanDerWaalsContact O-CG 3.23Å; D50-R54 WeakPolarHBondContact O-CG 3.23Å; D50-R54 PolarHBondContact O-N 3.11Å; V51-R54 PolarHBondContact O-N 3.17Å; R54-R57 PolarHBondContact O-N 2.9Å; R54-T58 WeakPolarHBondContact O-CB 3.43Å; R54-T58 PolarHBondContact O-N 3.29Å; R54-T58 PolarHBondContact O-OG1 2.77Å
55W90.9Very high85.2Confident108 Ų10860.7 Ų60.741%0.40928%0.282SS..Hα-helixtrans-59.2-49177.4-172.6-103.3000112.6V51 T52 W53 R57 T58 G59 W134 D137V51-W55 PolarHBondContact O-N 2.78Å; T52-W55 WeakPolarHBondContact O-CB 3.22Å; T52-W55 PolarHBondContact O-N 2.96Å; W53-W55 VanDerWaalsContact C-N 3.31Å; W53-W55 PolarHBondContact O-N 3.37Å; W55-R57 VanDerWaalsContact C-N 3.34Å; W55-R57 PolarHBondContact O-N 3.38Å; W55-T58 PolarHBondContact O-N 3.39Å; W55-G59 PolarHBondContact O-N 3.19Å; W55-G59 VanDerWaalsContact O-N 3.09Å; W55-W134 AromaticContact CD1-NE1 3.69Å; W55-W134 HydrophobicContact CD2-CZ2 4.43Å; W55-W134 AromaticContact CE2-NE1 3.86Å; W55-W134 HydrophobicContact CZ2-CZ2 4.42Å; W55-W134 AromaticContact NE1-CD1 3.93Å; W55-W134 AromaticContact NE1-NE1 3.41Å; W55-W134 PolarHBondContact O-NE1 2.8Å; W55-D137 PolarHBondContact NE1-OD2 3.39Å
56I88.7Confident85.6Confident9 Ų960.5 Ų60.55%0.04628%0.281CS..Hα-helixtrans-65.2-38.2176.9-66.9168000111.3T52 W53 N60 C139 L222T52-I56 HydrophobicContact CG2-CD1 4.11Å; T52-I56 WeakPolarHBondContact O-CG1 3.46Å; T52-I56 PolarHBondContact O-N 2.83Å; W53-I56 PolarHBondContact O-N 3.36Å; I56-N60 PolarHBondContact O-N 3.39Å; I56-N60 VanDerWaalsContact O-N 3.08Å; I56-N60 PolarHBondContact O-ND2 2.81Å; I56-C139 HydrophobicContact CD1-CB 4.44Å; I56-C139 HydrophobicContact CG1-CB 4.25Å; I56-L222 HydrophobicContact CD1-CD2 3.41Å; I56-L222 VanDerWaalsContact CD1-CD2 3.41Å
57R87.2Confident85.9Confident146 Ų14659.6 Ų59.655%0.55128%0.279SS*.Hα-helixtrans-67-42.8177.7-177.8173.4175.6152.2-3.8111.5W53 R54 W55 N60 W61W53-R57 HydrophobicContact CE3-CB 4.47Å; W53-R57 VanDerWaalsContact O-CB 3.25Å; W53-R57 WeakPolarHBondContact O-CB 3.43Å; W53-R57 PolarHBondContact O-N 3Å; R54-R57 PolarHBondContact O-N 2.9Å; W55-R57 VanDerWaalsContact C-N 3.34Å; W55-R57 PolarHBondContact O-N 3.38Å; R57-N60 PolarHBondContact O-N 2.84Å; R57-W61 WeakPolarHBondContact O-CB 3.48Å; R57-W61 PolarHBondContact O-N 3.04Å
58T88.5Confident86.2Confident68 Ų6861.7 Ų61.742%0.41728%0.283SS..Hα-helixtrans-61-46.1177-63.10000110.6R54 W55 N60 W61 L62 W134R54-T58 WeakPolarHBondContact O-CB 3.43Å; R54-T58 PolarHBondContact O-N 3.29Å; R54-T58 PolarHBondContact O-OG1 2.77Å; W55-T58 PolarHBondContact O-N 3.39Å; T58-N60 VanDerWaalsContact C-N 3.35Å; T58-N60 PolarHBondContact O-N 3.39Å; T58-W61 WeakPolarHBondContact O-CB 3.32Å; T58-W61 PolarHBondContact O-N 2.81Å; T58-W61 VanDerWaalsContact O-N 3.15Å; T58-L62 WeakPolarHBondContact O-CB 3.24Å; T58-L62 PolarHBondContact O-N 2.95Å; T58-W134 HydrophobicContact CG2-CH2 4.02Å; T58-W134 HydrophobicContact CG2-CZ2 4.07Å
59G88Confident86.6Confident1 Ų160.2 Ų60.21%0.0128%0.276CS..Hα-helixtrans-59.7-43.9175.100000112.5W55 W61 L62 H63 Y130 W134W55-G59 PolarHBondContact O-N 3.19Å; W55-G59 VanDerWaalsContact O-N 3.09Å; G59-W61 VanDerWaalsContact C-N 3.34Å; G59-W61 PolarHBondContact O-N 3.43Å; G59-L62 PolarHBondContact O-N 3.17Å; G59-H63 WeakPolarHBondContact O-CB 3.39Å; G59-H63 PolarHBondContact O-N 3.45Å; G59-H63 VanDerWaalsContact O-N 3.11Å; G59-Y130 WeakPolarHBondContact O-CD2 3.11Å; G59-Y130 WeakPolarHBondContact O-CE2 3.13Å; G59-W134 VanDerWaalsContact CA-CZ2 3.46Å; G59-W134 VanDerWaalsContact N-CZ2 3.34Å
60N85.2Confident86.6Confident43 Ų4360.3 Ų60.323%0.2328%0.277CS..Hα-helixtrans-64.5-36.3175.1-83.6-62.3000113.3I56 R57 T58 K64 R230I56-N60 PolarHBondContact O-N 3.39Å; I56-N60 VanDerWaalsContact O-N 3.08Å; I56-N60 PolarHBondContact O-ND2 2.81Å; R57-N60 PolarHBondContact O-N 2.84Å; T58-N60 VanDerWaalsContact C-N 3.35Å; T58-N60 PolarHBondContact O-N 3.39Å; N60-K64 WeakPolarHBondContact O-CG 3.17Å; N60-K64 PolarHBondContact O-N 3.26Å; N60-R230 PolarHBondContact OD1-NH1 3.37Å
61W86.7Confident86.6Confident162 Ų16262 Ų6261%0.61429%0.285SS*.Hα-helixtrans-68-49.6176.9177.985.7000110.9R57 T58 G59 H63 K64 T65R57-W61 WeakPolarHBondContact O-CB 3.48Å; R57-W61 PolarHBondContact O-N 3.04Å; T58-W61 WeakPolarHBondContact O-CB 3.32Å; T58-W61 PolarHBondContact O-N 2.81Å; T58-W61 VanDerWaalsContact O-N 3.15Å; G59-W61 VanDerWaalsContact C-N 3.34Å; G59-W61 PolarHBondContact O-N 3.43Å; W61-H63 PolarHBondContact O-N 3.37Å; W61-K64 WeakPolarHBondContact O-CB 3.45Å; W61-K64 PolarHBondContact O-N 3.5Å; W61-T65 HydrophobicContact CD2-CG2 3.86Å; W61-T65 HydrophobicContact CE3-CG2 4.19Å; W61-T65 HydrophobicContact CG-CG2 4.48Å; W61-T65 HydrophobicContact CH2-CG2 3.96Å; W61-T65 HydrophobicContact CZ2-CG2 3.61Å; W61-T65 HydrophobicContact CZ3-CG2 4.24Å; W61-T65 WeakPolarHBondContact O-CG2 3.45Å; W61-T65 PolarHBondContact O-N 3.35Å; W61-T65 PolarHBondContact O-OG1 3.31Å
62L85.6Confident86.6Confident21 Ų2159.3 Ų59.311%0.1127%0.272CS..Hα-helixtrans-53.7-40.1177.5-166.380.8000111.3T58 G59 T65 A66 A126 L129 Y130 W134T58-L62 WeakPolarHBondContact O-CB 3.24Å; T58-L62 PolarHBondContact O-N 2.95Å; G59-L62 PolarHBondContact O-N 3.17Å; L62-T65 VanDerWaalsContact C-OG1 3.27Å; L62-T65 VanDerWaalsContact CA-OG1 3.28Å; L62-T65 WeakPolarHBondContact CA-OG1 3.19Å; L62-T65 PolarHBondContact O-N 3.37Å; L62-T65 PolarHBondContact O-OG1 2.96Å; L62-A66 WeakPolarHBondContact O-CB 3.3Å; L62-A66 PolarHBondContact O-N 3.23Å; L62-A126 HydrophobicContact CD1-CB 4.03Å; L62-A126 WeakPolarHBondContact CD2-O 3.25Å; L62-A126 HydrophobicContact CG-CB 4.05Å; L62-A126 WeakPolarHBondContact CG-O 3.47Å; L62-L129 HydrophobicContact CD2-CB 3.96Å; L62-Y130 HydrophobicContact CD2-CD2 4.46Å; L62-W134 HydrophobicContact CD2-CE3 4.18Å; L62-W134 HydrophobicContact CD2-CH2 4.21Å; L62-W134 HydrophobicContact CD2-CZ3 3.53Å
63H83.1Confident86.4Confident4 Ų458.7 Ų58.72%0.01927%0.269CS..Hα-helixtrans-66.7-44.8176.9-154.252.5000113.5G59 W61 T65 A66 V67 H234G59-H63 WeakPolarHBondContact O-CB 3.39Å; G59-H63 PolarHBondContact O-N 3.45Å; G59-H63 VanDerWaalsContact O-N 3.11Å; W61-H63 PolarHBondContact O-N 3.37Å; H63-T65 VanDerWaalsContact C-N 3.32Å; H63-T65 PolarHBondContact O-N 2.6Å; H63-A66 PolarHBondContact O-N 2.74Å; H63-V67 WeakPolarHBondContact O-CG2 3.38Å; H63-V67 PolarHBondContact O-N 3.39Å; H63-H234 AromaticContact CD2-CD2 3.32Å; H63-H234 PolarHBondContact CD2-CD2 3.44Å; H63-H234 AromaticContact CD2-CG 3.68Å; H63-H234 AromaticContact CD2-NE2 3.83Å; H63-H234 WeakPolarHBondContact CE1-CB 3.26Å; H63-H234 AromaticContact CE1-CD2 3.85Å; H63-H234 AromaticContact CE1-CG 3.63Å; H63-H234 WeakPolarHBondContact NE2-CB 3.45Å; H63-H234 AromaticContact NE2-CD2 2.86Å; H63-H234 PolarHBondContact NE2-CD2 2.93Å; H63-H234 AromaticContact NE2-CG 3.08Å; H63-H234 AromaticContact NE2-NE2 3.83Å
64K84.6Confident86.2Confident127 Ų12758.6 Ų58.655%0.55228%0.275SS*.Hα-helixtrans-63.2-41.2176.1-72.9-178.2177.4-154.80110.9N60 W61 V67 I68N60-K64 WeakPolarHBondContact O-CG 3.17Å; N60-K64 PolarHBondContact O-N 3.26Å; W61-K64 WeakPolarHBondContact O-CB 3.45Å; W61-K64 PolarHBondContact O-N 3.5Å; K64-V67 PolarHBondContact O-N 2.91Å; K64-I68 WeakPolarHBondContact O-CD1 3.46Å; K64-I68 VanDerWaalsContact O-CG1 3.23Å; K64-I68 WeakPolarHBondContact O-CG1 3.38Å; K64-I68 PolarHBondContact O-N 3.11Å
65T86.7Confident86Confident34 Ų3454.9 Ų54.921%0.20927%0.27CS..Hα-helixtrans-64.8-40.7178.151.90000111.9W61 L62 H63 V67 I68 S69W61-T65 HydrophobicContact CD2-CG2 3.86Å; W61-T65 HydrophobicContact CE3-CG2 4.19Å; W61-T65 HydrophobicContact CG-CG2 4.48Å; W61-T65 HydrophobicContact CH2-CG2 3.96Å; W61-T65 HydrophobicContact CZ2-CG2 3.61Å; W61-T65 HydrophobicContact CZ3-CG2 4.24Å; W61-T65 WeakPolarHBondContact O-CG2 3.45Å; W61-T65 PolarHBondContact O-N 3.35Å; W61-T65 PolarHBondContact O-OG1 3.31Å; L62-T65 VanDerWaalsContact C-OG1 3.27Å; L62-T65 VanDerWaalsContact CA-OG1 3.28Å; L62-T65 WeakPolarHBondContact CA-OG1 3.19Å; L62-T65 PolarHBondContact O-N 3.37Å; L62-T65 PolarHBondContact O-OG1 2.96Å; H63-T65 VanDerWaalsContact C-N 3.32Å; H63-T65 PolarHBondContact O-N 2.6Å; T65-V67 VanDerWaalsContact C-N 3.31Å; T65-V67 PolarHBondContact O-N 2.89Å; T65-I68 PolarHBondContact O-N 3.36Å; T65-S69 WeakPolarHBondContact O-CB 3.42Å; T65-S69 PolarHBondContact O-N 2.89Å; T65-S69 PolarHBondContact O-OG 2.83Å
66A85.7Confident85.7Confident0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-60-41.3178.300000112.3L62 H63 S69 G70 S123 A126 A127L62-A66 WeakPolarHBondContact O-CB 3.3Å; L62-A66 PolarHBondContact O-N 3.23Å; H63-A66 PolarHBondContact O-N 2.74Å; A66-S69 PolarHBondContact O-OG 2.69Å; A66-S69 VanDerWaalsContact O-OG 3.07Å; A66-G70 PolarHBondContact O-N 3.2Å; A66-S123 PolarHBondContact O-OG 2.78Å; A66-A126 HydrophobicContact CB-CB 3.81Å; A66-A127 HydrophobicContact CB-CB 4.27Å
67V83.2Confident85Confident24 Ų2451.2 Ų51.215%0.14526%0.26CS..Hα-helixtrans-70.5-46178.9177.20000111.4H63 K64 T65 S69 G70 I71 H234H63-V67 WeakPolarHBondContact O-CG2 3.38Å; H63-V67 PolarHBondContact O-N 3.39Å; K64-V67 PolarHBondContact O-N 2.91Å; T65-V67 VanDerWaalsContact C-N 3.31Å; T65-V67 PolarHBondContact O-N 2.89Å; V67-S69 VanDerWaalsContact C-N 3.34Å; V67-S69 PolarHBondContact O-N 3.5Å; V67-G70 PolarHBondContact O-N 2.86Å; V67-I71 HydrophobicContact CG1-CD1 3.85Å; V67-I71 HydrophobicContact CG1-CG1 4.47Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 3.43Å; V67-H234 HydrophobicContact CG2-CB 4.42Å; V67-H234 WeakPolarHBondContact CG2-ND1 3.24Å
68I87.9Confident84.6Confident117 Ų11746 Ų4660%0.625%0.252SS*.Hα-helixtrans-61.9-44.9179.6-67.2165.3000109.9K64 T65 A72K64-I68 WeakPolarHBondContact O-CD1 3.46Å; K64-I68 VanDerWaalsContact O-CG1 3.23Å; K64-I68 WeakPolarHBondContact O-CG1 3.38Å; K64-I68 PolarHBondContact O-N 3.11Å; T65-I68 PolarHBondContact O-N 3.36Å; I68-A72 WeakPolarHBondContact O-CB 3.5Å; I68-A72 PolarHBondContact O-N 3.29Å
69S87.4Confident84.2Confident11 Ų1146.2 Ų46.28%0.07725%0.253CS..Hα-helixtrans-68.6-35.1178.160.70000112.6T65 A66 V67 A72 A73 S123T65-S69 WeakPolarHBondContact O-CB 3.42Å; T65-S69 PolarHBondContact O-N 2.89Å; T65-S69 PolarHBondContact O-OG 2.83Å; A66-S69 PolarHBondContact O-OG 2.69Å; A66-S69 VanDerWaalsContact O-OG 3.07Å; V67-S69 VanDerWaalsContact C-N 3.34Å; V67-S69 PolarHBondContact O-N 3.5Å; S69-A72 PolarHBondContact O-N 2.86Å; S69-A73 WeakPolarHBondContact O-CB 3.36Å; S69-A73 PolarHBondContact O-N 3.02Å; S69-S123 WeakPolarHBondContact OG-CA 3.21Å; S69-S123 WeakPolarHBondContact OG-CB 3.21Å; S69-S123 PolarHBondContact OG-N 3.39Å
70G84.3Confident83.3Confident2 Ų247 Ų472%0.02126%0.262CS..Hα-helixtrans-63.1-52.1173.900000112.1A66 V67 A72 A73 V74 S123 S241A66-G70 PolarHBondContact O-N 3.2Å; V67-G70 PolarHBondContact O-N 2.86Å; G70-A72 VanDerWaalsContact C-N 3.32Å; G70-A72 PolarHBondContact O-N 2.84Å; G70-A73 WeakPolarHBondContact O-CB 3.5Å; G70-A73 PolarHBondContact O-N 3.34Å; G70-A73 VanDerWaalsContact O-N 3.15Å; G70-V74 PolarHBondContact O-N 3.38Å; G70-S123 PolarHBondContact N-OG 2.92Å; G70-S241 WeakPolarHBondContact CA-OG 3.39Å; G70-S241 PolarHBondContact O-OG 3.47Å
71I86.1Confident82.5Confident97 Ų9748.4 Ų48.450%0.49727%0.269SS..Hα-helixtrans-58.5-46.4175.8-65.9170000110.4V67 A73 V74 T75V67-I71 HydrophobicContact CG1-CD1 3.85Å; V67-I71 HydrophobicContact CG1-CG1 4.47Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 3.43Å; I71-A73 VanDerWaalsContact C-N 3.29Å; I71-A73 PolarHBondContact O-N 2.92Å; I71-V74 PolarHBondContact O-N 2.83Å; I71-T75 PolarHBondContact O-N 3.15Å; I71-T75 PolarHBondContact O-OG1 3.37Å; I71-T75 VanDerWaalsContact O-OG1 3.09Å
72A86.9Confident81.7Confident35 Ų3546.6 Ų46.629%0.28927%0.269SS..Hα-helixtrans-60-38.2177.800000112.5I68 S69 G70 T76 L119I68-A72 WeakPolarHBondContact O-CB 3.5Å; I68-A72 PolarHBondContact O-N 3.29Å; S69-A72 PolarHBondContact O-N 2.86Å; G70-A72 VanDerWaalsContact C-N 3.32Å; G70-A72 PolarHBondContact O-N 2.84Å; A72-T76 VanDerWaalsContact O-CB 3.26Å; A72-T76 WeakPolarHBondContact O-CB 3.42Å; A72-T76 PolarHBondContact O-N 3.32Å; A72-T76 PolarHBondContact O-OG1 3.46Å; A72-L119 HydrophobicContact CB-CD1 4.19Å
73A83.5Confident80.8Confident0 Ų050.2 Ų50.20%028%0.281CS..Hα-helixtrans-64.8-44.1175.500000111.7S69 G70 I71 T76 A77 L119S69-A73 WeakPolarHBondContact O-CB 3.36Å; S69-A73 PolarHBondContact O-N 3.02Å; G70-A73 WeakPolarHBondContact O-CB 3.5Å; G70-A73 PolarHBondContact O-N 3.34Å; G70-A73 VanDerWaalsContact O-N 3.15Å; I71-A73 VanDerWaalsContact C-N 3.29Å; I71-A73 PolarHBondContact O-N 2.92Å; A73-T76 PolarHBondContact O-N 2.85Å; A73-A77 VanDerWaalsContact O-CB 3.27Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 2.89Å; A73-L119 HydrophobicContact CB-CB 4.03Å
74V82.1Confident79.9Confident60 Ų6053.8 Ų53.836%0.36430%0.3SS..Hα-helixtrans-64.5-43.6176.9175.40000111.3G70 I71 A77 G78 S241G70-V74 PolarHBondContact O-N 3.38Å; I71-V74 PolarHBondContact O-N 2.83Å; V74-A77 PolarHBondContact O-N 2.75Å; V74-G78 PolarHBondContact O-N 2.92Å; V74-S241 WeakPolarHBondContact CG2-OG 3.5Å
75T84.3Confident78.8Confident84 Ų8451.3 Ų51.352%0.51530%0.299SS..Hα-helixtrans-62.7-46.2176-55.80000111.1I71 A77 G78 V79I71-T75 PolarHBondContact O-N 3.15Å; I71-T75 PolarHBondContact O-OG1 3.37Å; I71-T75 VanDerWaalsContact O-OG1 3.09Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 3.35Å; T75-G78 PolarHBondContact O-N 2.8Å; T75-V79 WeakPolarHBondContact O-CG2 3.26Å; T75-V79 PolarHBondContact O-N 3.22Å
76T83.3Confident77.3Confident35 Ų3552.4 Ų52.422%0.21531%0.305CS..Hα-helixtrans-61.8-41.1177.9-56.30000111.1A72 A73 V79 G80 I112 I115 T116A72-T76 VanDerWaalsContact O-CB 3.26Å; A72-T76 WeakPolarHBondContact O-CB 3.42Å; A72-T76 PolarHBondContact O-N 3.32Å; A72-T76 PolarHBondContact O-OG1 3.46Å; A73-T76 PolarHBondContact O-N 2.85Å; T76-V79 PolarHBondContact O-N 3.01Å; T76-G80 PolarHBondContact O-N 2.78Å; T76-I112 HydrophobicContact CG2-CG2 4.2Å; T76-I115 HydrophobicContact CG2-CG2 4.18Å; T76-T116 WeakPolarHBondContact CG2-OG1 3.36Å
77A75.5Confident76Confident4 Ų456 Ų563%0.03332%0.321CS..Hα-helixtrans-65.8-42.4176.200000112.4A73 V74 T75 G80 L81 T116 I248A73-A77 VanDerWaalsContact O-CB 3.27Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 2.89Å; V74-A77 PolarHBondContact O-N 2.75Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 3.35Å; A77-G80 PolarHBondContact O-N 2.92Å; A77-L81 WeakPolarHBondContact O-CG 3.4Å; A77-L81 PolarHBondContact O-N 3.05Å; A77-T116 HydrophobicContact CB-CG2 4.07Å; A77-I248 HydrophobicContact CB-CD1 3.71Å; A77-I248 HydrophobicContact CB-CG2 4.32Å
78G78.5Confident74.7Confident37 Ų3758.6 Ų58.638%0.38134%0.34SS..Hα-helixtrans-61.8-44.7175.100000112.3V74 T75 G80 L81 M82V74-G78 PolarHBondContact O-N 2.92Å; T75-G78 PolarHBondContact O-N 2.8Å; G78-G80 VanDerWaalsContact C-N 3.32Å; G78-G80 PolarHBondContact O-N 3.09Å; G78-L81 PolarHBondContact O-N 3.35Å; G78-M82 PolarHBondContact O-N 3.3Å
79V79.3Confident72.9Confident72 Ų7261.1 Ų61.144%0.43635%0.347SS..Hα-helixtrans-62-40.3173.8173.30000110.9T75 T76 L81 M82 W83T75-V79 WeakPolarHBondContact O-CG2 3.26Å; T75-V79 PolarHBondContact O-N 3.22Å; T76-V79 PolarHBondContact O-N 3.01Å; V79-L81 PolarHBondContact O-N 3.32Å; V79-M82 PolarHBondContact O-N 3.26Å; V79-W83 VanDerWaalsContact O-CB 3.31Å; V79-W83 WeakPolarHBondContact O-CB 3.44Å; V79-W83 PolarHBondContact O-N 2.82Å
80G70.3Confident71.6Confident18 Ų1865.7 Ų65.719%0.18637%0.369CS..Hα-helixtrans-60.2-41.5175.400000113.6T76 A77 G78 N84T76-G80 PolarHBondContact O-N 2.78Å; A77-G80 PolarHBondContact O-N 2.92Å; G78-G80 VanDerWaalsContact C-N 3.32Å; G78-G80 PolarHBondContact O-N 3.09Å; G80-N84 PolarHBondContact O-N 3.23Å; G80-N84 VanDerWaalsContact O-N 3.12Å
81L68.4Low70.1Confident73 Ų7371.5 Ų71.538%0.38239%0.392SS..Hα-helixtrans-66.6-40.9174.5-68.7174.5000112A77 G78 V79 N84 S85 I248A77-L81 WeakPolarHBondContact O-CG 3.4Å; A77-L81 PolarHBondContact O-N 3.05Å; G78-L81 PolarHBondContact O-N 3.35Å; V79-L81 PolarHBondContact O-N 3.32Å; L81-N84 PolarHBondContact O-N 3.46Å; L81-S85 WeakPolarHBondContact O-CB 3.5Å; L81-S85 PolarHBondContact O-N 2.94Å; L81-S85 PolarHBondContact O-OG 3.41Å; L81-I248 HydrophobicContact CD1-CD1 4.18Å; L81-I248 HydrophobicContact CD1-CG1 4.33Å; L81-I248 HydrophobicContact CD1-CG2 4.29Å; L81-I248 HydrophobicContact CD2-CG2 4.24Å; L81-I248 HydrophobicContact CG-CG2 4.26Å
82M68.5Low68.5Low124 Ų12473.8 Ų73.861%0.61140%0.404SS*.Hα-helixtrans-69.5-36.4178.4-162.2174.179.500111.7G78 V79 S85 T86G78-M82 PolarHBondContact O-N 3.3Å; V79-M82 PolarHBondContact O-N 3.26Å; M82-S85 PolarHBondContact O-N 3.08Å; M82-T86 WeakPolarHBondContact O-CB 3.48Å; M82-T86 PolarHBondContact O-N 3.46Å; M82-T86 PolarHBondContact O-OG1 3.04Å
83W67.5Low66.9Low97 Ų9777.1 Ų77.137%0.36742%0.423SS..Hα-helixtrans-60.9-49.8174.2-168.8-87.3000110.5V79 S85 F87 T108V79-W83 VanDerWaalsContact O-CB 3.31Å; V79-W83 WeakPolarHBondContact O-CB 3.44Å; V79-W83 PolarHBondContact O-N 2.82Å; W83-S85 VanDerWaalsContact C-N 3.34Å; W83-S85 PolarHBondContact O-N 3.15Å; W83-F87 AromaticContact CD2-CD2 3.86Å; W83-F87 HydrophobicContact CD2-CD2 3.86Å; W83-F87 HydrophobicContact CD2-CE2 4.22Å; W83-F87 HydrophobicContact CD2-CG 4.14Å; W83-F87 AromaticContact CE2-CG 3.97Å; W83-F87 AromaticContact CE3-CD2 3.74Å; W83-F87 HydrophobicContact CE3-CD2 3.74Å; W83-F87 AromaticContact CE3-CE2 3.65Å; W83-F87 HydrophobicContact CE3-CE2 3.65Å; W83-F87 HydrophobicContact CE3-CG 4.4Å; W83-F87 HydrophobicContact CE3-CZ 4.22Å; W83-F87 HydrophobicContact CG-CD2 4.47Å; W83-F87 HydrophobicContact CH2-CD1 4.07Å; W83-F87 HydrophobicContact CH2-CD2 4.22Å; W83-F87 AromaticContact CH2-CE1 3.6Å; W83-F87 HydrophobicContact CH2-CE1 3.6Å; W83-F87 AromaticContact CH2-CE2 3.79Å; W83-F87 HydrophobicContact CH2-CE2 3.79Å; W83-F87 HydrophobicContact CH2-CG 4.36Å; W83-F87 AromaticContact CH2-CZ 3.47Å; W83-F87 HydrophobicContact CH2-CZ 3.47Å; W83-F87 VanDerWaalsContact CH2-CZ 3.47Å; W83-F87 AromaticContact CZ2-CD1 3.83Å; W83-F87 HydrophobicContact CZ2-CD1 3.83Å; W83-F87 HydrophobicContact CZ2-CD2 4.32Å; W83-F87 AromaticContact CZ2-CE1 3.82Å; W83-F87 HydrophobicContact CZ2-CE1 3.82Å; W83-F87 HydrophobicContact CZ2-CE2 4.33Å; W83-F87 HydrophobicContact CZ2-CG 4.1Å; W83-F87 HydrophobicContact CZ2-CZ 4.1Å; W83-F87 AromaticContact CZ3-CD2 3.93Å; W83-F87 HydrophobicContact CZ3-CD2 3.93Å; W83-F87 HydrophobicContact CZ3-CE1 4.13Å; W83-F87 AromaticContact CZ3-CE2 3.41Å; W83-F87 HydrophobicContact CZ3-CE2 3.41Å; W83-F87 VanDerWaalsContact CZ3-CE2 3.41Å; W83-F87 AromaticContact CZ3-CZ 3.54Å; W83-F87 HydrophobicContact CZ3-CZ 3.54Å; W83-F87 WeakPolarHBondContact O-CB 3.47Å; W83-F87 PolarHBondContact O-N 3.28Å; W83-T108 HydrophobicContact CZ2-CG2 4.4Å
84N63.2Low65.2Low78 Ų7882.9 Ų82.942%0.41745%0.453SS..Hα-helixtrans-59.9-42.8176.3-168.810.3000112.2G80 L81 S88 W252G80-N84 PolarHBondContact O-N 3.23Å; G80-N84 VanDerWaalsContact O-N 3.12Å; L81-N84 PolarHBondContact O-N 3.46Å; N84-S88 WeakPolarHBondContact O-CB 3.49Å; N84-W252 PolarHBondContact ND2-NE1 3.28Å; N84-W252 VanDerWaalsContact ND2-NE1 3.14Å
85S62.6Low63.9Low75 Ų7588 Ų8852%0.52448%0.478SS..Hα-helixtrans-74.8-35.8-175.5-52.10000113.9L81 M82 W83L81-S85 WeakPolarHBondContact O-CB 3.5Å; L81-S85 PolarHBondContact O-N 2.94Å; L81-S85 PolarHBondContact O-OG 3.41Å; M82-S85 PolarHBondContact O-N 3.08Å; W83-S85 VanDerWaalsContact C-N 3.34Å; W83-S85 PolarHBondContact O-N 3.15Å
86T55.1Low62.4Low57 Ų5790.5 Ų90.535%0.3549%0.488SS..Hα-helixtrans-97.2-48.4-170.4-42.40000111.5M82 K89 I90M82-T86 WeakPolarHBondContact O-CB 3.48Å; M82-T86 PolarHBondContact O-N 3.46Å; M82-T86 PolarHBondContact O-OG1 3.04Å; T86-K89 PolarHBondContact O-N 3.26Å; T86-I90 HydrophobicContact CG2-CD1 3.86Å; T86-I90 WeakPolarHBondContact O-CB 3.48Å; T86-I90 PolarHBondContact O-N 3.18Å
87F57.8Low61.1Low75 Ų7592.4 Ų92.433%0.32951%0.514SS..Hα-helixtrans-71.5-32.7-177.7-91.4-106000112.8W83 K89 Y91W83-F87 AromaticContact CD2-CD2 3.86Å; W83-F87 HydrophobicContact CD2-CD2 3.86Å; W83-F87 HydrophobicContact CD2-CE2 4.22Å; W83-F87 HydrophobicContact CD2-CG 4.14Å; W83-F87 AromaticContact CE2-CG 3.97Å; W83-F87 AromaticContact CE3-CD2 3.74Å; W83-F87 HydrophobicContact CE3-CD2 3.74Å; W83-F87 AromaticContact CE3-CE2 3.65Å; W83-F87 HydrophobicContact CE3-CE2 3.65Å; W83-F87 HydrophobicContact CE3-CG 4.4Å; W83-F87 HydrophobicContact CE3-CZ 4.22Å; W83-F87 HydrophobicContact CG-CD2 4.47Å; W83-F87 HydrophobicContact CH2-CD1 4.07Å; W83-F87 HydrophobicContact CH2-CD2 4.22Å; W83-F87 AromaticContact CH2-CE1 3.6Å; W83-F87 HydrophobicContact CH2-CE1 3.6Å; W83-F87 AromaticContact CH2-CE2 3.79Å; W83-F87 HydrophobicContact CH2-CE2 3.79Å; W83-F87 HydrophobicContact CH2-CG 4.36Å; W83-F87 AromaticContact CH2-CZ 3.47Å; W83-F87 HydrophobicContact CH2-CZ 3.47Å; W83-F87 VanDerWaalsContact CH2-CZ 3.47Å; W83-F87 AromaticContact CZ2-CD1 3.83Å; W83-F87 HydrophobicContact CZ2-CD1 3.83Å; W83-F87 HydrophobicContact CZ2-CD2 4.32Å; W83-F87 AromaticContact CZ2-CE1 3.82Å; W83-F87 HydrophobicContact CZ2-CE1 3.82Å; W83-F87 HydrophobicContact CZ2-CE2 4.33Å; W83-F87 HydrophobicContact CZ2-CG 4.1Å; W83-F87 HydrophobicContact CZ2-CZ 4.1Å; W83-F87 AromaticContact CZ3-CD2 3.93Å; W83-F87 HydrophobicContact CZ3-CD2 3.93Å; W83-F87 HydrophobicContact CZ3-CE1 4.13Å; W83-F87 AromaticContact CZ3-CE2 3.41Å; W83-F87 HydrophobicContact CZ3-CE2 3.41Å; W83-F87 VanDerWaalsContact CZ3-CE2 3.41Å; W83-F87 AromaticContact CZ3-CZ 3.54Å; W83-F87 HydrophobicContact CZ3-CZ 3.54Å; W83-F87 WeakPolarHBondContact O-CB 3.47Å; W83-F87 PolarHBondContact O-N 3.28Å; F87-K89 PolarHBondContact O-N 3.13Å; F87-Y91 AromaticContact CD1-CD2 3.34Å; F87-Y91 HydrophobicContact CD1-CD2 3.34Å; F87-Y91 AromaticContact CD1-CE2 3.22Å; F87-Y91 HydrophobicContact CD1-CE2 3.22Å; F87-Y91 AromaticContact CE1-CD2 3.75Å; F87-Y91 HydrophobicContact CE1-CD2 3.75Å; F87-Y91 AromaticContact CE1-CE2 3.09Å; F87-Y91 HydrophobicContact CE1-CE2 3.09Å; F87-Y91 AromaticContact CE1-CZ 3.88Å; F87-Y91 HydrophobicContact CG-CD2 4.12Å; F87-Y91 HydrophobicContact CG-CE2 4.13Å; F87-Y91 AromaticContact CZ-CE2 3.9Å; F87-Y91 HydrophobicContact CZ-CE2 3.9Å; F87-Y91 PolarHBondContact O-N 3.27Å
88S56.7Low60Low79 Ų7996.6 Ų96.655%0.55254%0.539SS*.Hα-helixtrans-60.7-30.8173.8-171.60000112N84N84-S88 WeakPolarHBondContact O-CB 3.49Å
89K49.8Very low59.1Low170 Ų17098 Ų9874%0.73955%0.554SS**Hα-helixtrans-91.6-37.6179.5-68.5-173.5178.5-175.60113.9T86 F87T86-K89 PolarHBondContact O-N 3.26Å; F87-K89 PolarHBondContact O-N 3.13Å
90I60.7Low57.9Low107 Ų107104.5 Ų104.555%0.54957%0.571SS.*Hα-helixtrans-81-30-171.1-106.1154.8000113.9T86 P93T86-I90 HydrophobicContact CG2-CD1 3.86Å; T86-I90 WeakPolarHBondContact O-CB 3.48Å; T86-I90 PolarHBondContact O-N 3.18Å; I90-P93 WeakPolarHBondContact O-CD 3.32Å
91Y52.1Low57.2Low125 Ų125107.2 Ų107.249%0.4958%0.583SS.*THydrogen-bonded Turntrans-94.212.1177.7-72.8-83.5000113.9F87F87-Y91 AromaticContact CD1-CD2 3.34Å; F87-Y91 HydrophobicContact CD1-CD2 3.34Å; F87-Y91 AromaticContact CD1-CE2 3.22Å; F87-Y91 HydrophobicContact CD1-CE2 3.22Å; F87-Y91 AromaticContact CE1-CD2 3.75Å; F87-Y91 HydrophobicContact CE1-CD2 3.75Å; F87-Y91 AromaticContact CE1-CE2 3.09Å; F87-Y91 HydrophobicContact CE1-CE2 3.09Å; F87-Y91 AromaticContact CE1-CZ 3.88Å; F87-Y91 HydrophobicContact CG-CD2 4.12Å; F87-Y91 HydrophobicContact CG-CE2 4.13Å; F87-Y91 AromaticContact CZ-CE2 3.9Å; F87-Y91 HydrophobicContact CZ-CE2 3.9Å; F87-Y91 PolarHBondContact O-N 3.27Å
92L53.1Low56.6Low145 Ų145106.9 Ų106.976%0.75959%0.585SS**SBendtrans-66.6-16.4174.7-143.7121.5000113.9
93P53.1Low56.1Low105 Ų105104.8 Ų104.868%0.68258%0.58SS**SBendtrans-135.119.3173.741.1-25.3000116.9I90I90-P93 WeakPolarHBondContact O-CD 3.32Å
94L47.8Very low55.6Low121 Ų121103.4 Ų103.463%0.63458%0.582SS**  trans-124.273.2172.9-138.373.7000111.9L96L94-L96 PolarHBondContact O-N 3.09Å
95D53.8Low55.4Low166 Ų166108.3 Ų108.389%0.88860%0.595SS**  trans-69.562.6165.1-163.816.2000109.8G97D95-G97 PolarHBondContact O-N 2.83Å; D95-G97 VanDerWaalsContact O-N 3.09Å
96L53.8Low55.1Low138 Ų138109 Ų10972%0.72360%0.596SS**  trans-85.572.2172.9-155.879.3000109L94 T98L94-L96 PolarHBondContact O-N 3.09Å; L96-T98 PolarHBondContact O-N 3.38Å; L96-T98 PolarHBondContact O-OG1 3.29Å; L96-T98 VanDerWaalsContact O-OG1 3.09Å
97G54.9Low55.4Low74 Ų74110.6 Ų110.676%0.76360%0.601SS**SBendtrans52.34.6145.300000120.3D95 G99D95-G97 PolarHBondContact O-N 2.83Å; D95-G97 VanDerWaalsContact O-N 3.09Å; G97-G99 PolarHBondContact O-N 2.73Å
98T53.2Low55.7Low92 Ų92108.5 Ų108.556%0.56459%0.594SS**  trans-95.895.3179.538.90000108.4L96 W100 V101L96-T98 PolarHBondContact O-N 3.38Å; L96-T98 PolarHBondContact O-OG1 3.29Å; L96-T98 VanDerWaalsContact O-OG1 3.09Å; T98-W100 PolarHBondContact O-N 3.34Å; T98-V101 VanDerWaalsContact O-CG2 3.26Å; T98-V101 WeakPolarHBondContact O-CG2 3.46Å; T98-V101 PolarHBondContact O-N 3.05Å; T98-V101 VanDerWaalsContact O-N 3.09Å
99G59.6Low56.1Low66 Ų66106.4 Ų106.468%0.6858%0.579SS**THydrogen-bonded Turntrans-58.25.9-175.900000117G97G97-G99 PolarHBondContact O-N 2.73Å
100W55.2Low57.1Low210 Ų210101.7 Ų101.780%0.79557%0.567SS**THydrogen-bonded Turntrans-85.1-19.5172.9-61.276.1000112.6T98 T103 V104T98-W100 PolarHBondContact O-N 3.34Å; W100-T103 PolarHBondContact O-N 3.11Å; W100-V104 VanDerWaalsContact O-CG2 3.31Å; W100-V104 WeakPolarHBondContact O-CG2 3.41Å; W100-V104 PolarHBondContact O-N 3.46Å; W100-V104 VanDerWaalsContact O-N 3.09Å
101V55Low57.8Low74 Ų7499.9 Ų99.945%0.44856%0.562SS.*Hα-helixtrans-58.4-42.1-174.1176.50000113.9T98 R105T98-V101 VanDerWaalsContact O-CG2 3.26Å; T98-V101 WeakPolarHBondContact O-CG2 3.46Å; T98-V101 PolarHBondContact O-N 3.05Å; T98-V101 VanDerWaalsContact O-N 3.09Å; V101-R105 WeakPolarHBondContact O-CB 3.35Å; V101-R105 PolarHBondContact O-N 3.5Å; V101-R105 VanDerWaalsContact O-N 3.12Å
102P54.7Low58.8Low66 Ų6695.7 Ų95.743%0.42955%0.547SS..Hα-helixtrans-68.6-38.4-179.2-17.630.8000113.2R105 T106P102-R105 WeakPolarHBondContact O-CB 3.42Å; P102-R105 PolarHBondContact O-N 3.02Å; P102-T106 PolarHBondContact O-N 3.19Å
103T57.9Low59.7Low81 Ų8193.5 Ų93.550%0.49753%0.529SS..Hα-helixtrans-71.8-40.2-178.7-51.30000111.3W100 R105 T106 I107W100-T103 PolarHBondContact O-N 3.11Å; T103-R105 VanDerWaalsContact C-N 3.29Å; T103-R105 PolarHBondContact O-N 3.21Å; T103-T106 PolarHBondContact O-N 3.11Å; T103-T106 PolarHBondContact O-OG1 3.49Å; T103-I107 HydrophobicContact CG2-CD1 3.62Å; T103-I107 HydrophobicContact CG2-CG1 4.44Å; T103-I107 WeakPolarHBondContact O-CB 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.34Å; T103-I107 PolarHBondContact O-N 3.01Å
104V58.4Low60.9Low67 Ų6795.2 Ų95.241%0.40653%0.526SS..Hα-helixtrans-61.7-39.7172.4175.70000110.2W100 T106 T108W100-V104 VanDerWaalsContact O-CG2 3.31Å; W100-V104 WeakPolarHBondContact O-CG2 3.41Å; W100-V104 PolarHBondContact O-N 3.46Å; W100-V104 VanDerWaalsContact O-N 3.09Å; V104-T106 PolarHBondContact O-N 3.26Å; V104-T108 WeakPolarHBondContact CG1-OG1 3.4Å; V104-T108 WeakPolarHBondContact O-CB 3.2Å; V104-T108 PolarHBondContact O-N 2.88Å; V104-T108 PolarHBondContact O-OG1 3.02Å
105R57.4Low62.6Low181 Ų18192.9 Ų92.968%0.68351%0.513SS*.Hα-helixtrans-60.6-36.5-179.9-171.1178.168.9-165.91.6114.3V101 P102 T103 P109V101-R105 WeakPolarHBondContact O-CB 3.35Å; V101-R105 PolarHBondContact O-N 3.5Å; V101-R105 VanDerWaalsContact O-N 3.12Å; P102-R105 WeakPolarHBondContact O-CB 3.42Å; P102-R105 PolarHBondContact O-N 3.02Å; T103-R105 VanDerWaalsContact C-N 3.29Å; T103-R105 PolarHBondContact O-N 3.21Å; R105-P109 VanDerWaalsContact O-CD 3.24Å; R105-P109 WeakPolarHBondContact O-CD 3.5Å
106T57.2Low63.9Low89 Ų8985.2 Ų85.255%0.54647%0.472SS..Hα-helixtrans-88.9-33.7-178.850.80000113.4P102 T103 V104 P109P102-T106 PolarHBondContact O-N 3.19Å; T103-T106 PolarHBondContact O-N 3.11Å; T103-T106 PolarHBondContact O-OG1 3.49Å; V104-T106 PolarHBondContact O-N 3.26Å; T106-P109 WeakPolarHBondContact O-CD 3.33Å; T106-P109 WeakPolarHBondContact O-CG 3.41Å
107I62.3Low65.1Low91 Ų9181.4 Ų81.447%0.46746%0.455SS..Hα-helixtrans-78.8-38.6-178.5-62.5177.1000111.5T103 S110 V111T103-I107 HydrophobicContact CG2-CD1 3.62Å; T103-I107 HydrophobicContact CG2-CG1 4.44Å; T103-I107 WeakPolarHBondContact O-CB 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.34Å; T103-I107 PolarHBondContact O-N 3.01Å; I107-S110 PolarHBondContact O-N 3.09Å; I107-S110 VanDerWaalsContact O-N 3.16Å; I107-V111 HydrophobicContact CG2-CG2 3.7Å; I107-V111 WeakPolarHBondContact O-CG2 3.45Å; I107-V111 PolarHBondContact O-N 2.86Å
108T64.2Low66.6Low31 Ų3180.4 Ų80.419%0.1943%0.434CS..Hα-helixtrans-53.7-47.9-176.7-68.30000114.6W83 V104 S110 V111 I112W83-T108 HydrophobicContact CZ2-CG2 4.4Å; V104-T108 WeakPolarHBondContact CG1-OG1 3.4Å; V104-T108 WeakPolarHBondContact O-CB 3.2Å; V104-T108 PolarHBondContact O-N 2.88Å; V104-T108 PolarHBondContact O-OG1 3.02Å; T108-S110 PolarHBondContact O-N 2.83Å; T108-V111 PolarHBondContact O-N 3.42Å; T108-I112 HydrophobicContact CG2-CD1 3.59Å; T108-I112 HydrophobicContact CG2-CG1 4.32Å; T108-I112 WeakPolarHBondContact O-CB 3.39Å; T108-I112 VanDerWaalsContact O-CG1 3.25Å; T108-I112 WeakPolarHBondContact O-CG1 3.5Å; T108-I112 PolarHBondContact O-N 3.49Å
109P64.9Low68Low36 Ų3678.1 Ų78.123%0.23442%0.418CS..Hα-helixtrans-64.7-36.7178.623.1-32.8000113.3R105 T106 I112 R113 W252R105-P109 VanDerWaalsContact O-CD 3.24Å; R105-P109 WeakPolarHBondContact O-CD 3.5Å; T106-P109 WeakPolarHBondContact O-CD 3.33Å; T106-P109 WeakPolarHBondContact O-CG 3.41Å; P109-I112 PolarHBondContact O-N 3.14Å; P109-R113 WeakPolarHBondContact O-CB 3.02Å; P109-R113 WeakPolarHBondContact O-CG 3.23Å; P109-R113 PolarHBondContact O-N 2.91Å; P109-W252 HydrophobicContact CB-CH2 3.44Å; P109-W252 VanDerWaalsContact CB-CH2 3.44Å; P109-W252 HydrophobicContact CB-CZ2 4.35Å; P109-W252 HydrophobicContact CB-CZ3 3.84Å; P109-W252 HydrophobicContact CG-CH2 4.39Å
110S70.3Confident69.2Low70 Ų7075.4 Ų75.449%0.4939%0.389SS..Hα-helixtrans-67.5-41178.5-63.30000111.9I107 T108 R113 F114I107-S110 PolarHBondContact O-N 3.09Å; I107-S110 VanDerWaalsContact O-N 3.16Å; T108-S110 PolarHBondContact O-N 2.83Å; S110-R113 WeakPolarHBondContact O-CB 3.02Å; S110-R113 PolarHBondContact O-N 2.86Å; S110-F114 WeakPolarHBondContact O-CB 3.08Å; S110-F114 PolarHBondContact O-N 2.99Å
111V75.2Confident70.6Confident70 Ų7068.2 Ų68.242%0.42437%0.374SS..Hα-helixtrans-67.2-43.6175.9175.30000110.8I107 T108 R113 F114 I115I107-V111 HydrophobicContact CG2-CG2 3.7Å; I107-V111 WeakPolarHBondContact O-CG2 3.45Å; I107-V111 PolarHBondContact O-N 2.86Å; T108-V111 PolarHBondContact O-N 3.42Å; V111-R113 VanDerWaalsContact C-N 3.33Å; V111-R113 PolarHBondContact O-N 2.99Å; V111-F114 PolarHBondContact O-N 3.31Å; V111-I115 HydrophobicContact CG1-CD1 3.6Å; V111-I115 HydrophobicContact CG1-CG1 4.26Å; V111-I115 WeakPolarHBondContact O-CB 3.37Å; V111-I115 VanDerWaalsContact O-CG1 3.25Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.07Å
112I74Confident72.1Confident36 Ų3668.6 Ų68.619%0.18537%0.373CS..Hα-helixtrans-61.9-41175.6-68.6170.8000111T76 T108 P109 I115 T116T76-I112 HydrophobicContact CG2-CG2 4.2Å; T108-I112 HydrophobicContact CG2-CD1 3.59Å; T108-I112 HydrophobicContact CG2-CG1 4.32Å; T108-I112 WeakPolarHBondContact O-CB 3.39Å; T108-I112 VanDerWaalsContact O-CG1 3.25Å; T108-I112 WeakPolarHBondContact O-CG1 3.5Å; T108-I112 PolarHBondContact O-N 3.49Å; P109-I112 PolarHBondContact O-N 3.14Å; I112-I115 PolarHBondContact O-N 3.44Å; I112-T116 VanDerWaalsContact O-CB 3.3Å; I112-T116 WeakPolarHBondContact O-CB 2.86Å; I112-T116 PolarHBondContact O-N 3.26Å; I112-T116 PolarHBondContact O-OG1 3.37Å
113R71Confident73.6Confident99 Ų9965.4 Ų65.437%0.37435%0.352SS..Hα-helixtrans-57.5-53.8173.3-82.8-179.8168.7160.211.4110.6P109 S110 V111 I115 T116 T117 W252P109-R113 WeakPolarHBondContact O-CB 3.02Å; P109-R113 WeakPolarHBondContact O-CG 3.23Å; P109-R113 PolarHBondContact O-N 2.91Å; S110-R113 WeakPolarHBondContact O-CB 3.02Å; S110-R113 PolarHBondContact O-N 2.86Å; V111-R113 VanDerWaalsContact C-N 3.33Å; V111-R113 PolarHBondContact O-N 2.99Å; R113-I115 VanDerWaalsContact C-N 3.34Å; R113-I115 PolarHBondContact O-N 2.91Å; R113-T116 PolarHBondContact O-N 2.88Å; R113-T117 WeakPolarHBondContact O-CG2 3.22Å; R113-T117 PolarHBondContact O-N 3.04Å; R113-T117 PolarHBondContact O-OG1 3.39Å; R113-W252 HydrophobicContact CG-CE3 4.1Å; R113-W252 HydrophobicContact CG-CZ3 4.09Å; R113-W252 PolarHBondContact NH2-O 3.32Å
114F78.7Confident74.9Confident142 Ų14263.4 Ų63.462%0.62334%0.344SS*.Hα-helixtrans-62-39.8-178.1-175.2-96.7000112.7S110 V111 T117 T118S110-F114 WeakPolarHBondContact O-CB 3.08Å; S110-F114 PolarHBondContact O-N 2.99Å; V111-F114 PolarHBondContact O-N 3.31Å; F114-T117 WeakPolarHBondContact CA-OG1 3.46Å; F114-T117 PolarHBondContact O-OG1 3.41Å; F114-T118 WeakPolarHBondContact O-CB 3.35Å; F114-T118 PolarHBondContact O-N 3.28Å; F114-T118 PolarHBondContact O-OG1 2.99Å
115I82.3Confident76.3Confident71 Ų7163 Ų6336%0.36434%0.344SS..Hα-helixtrans-68.4-46.4177.4-68.3170.8000110.2T76 V111 I112 R113 T118 L119T76-I115 HydrophobicContact CG2-CG2 4.18Å; V111-I115 HydrophobicContact CG1-CD1 3.6Å; V111-I115 HydrophobicContact CG1-CG1 4.26Å; V111-I115 WeakPolarHBondContact O-CB 3.37Å; V111-I115 VanDerWaalsContact O-CG1 3.25Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.07Å; I112-I115 PolarHBondContact O-N 3.44Å; R113-I115 VanDerWaalsContact C-N 3.34Å; R113-I115 PolarHBondContact O-N 2.91Å; I115-T118 PolarHBondContact O-N 2.9Å; I115-L119 HydrophobicContact CG2-CD1 3.6Å; I115-L119 HydrophobicContact CG2-CG 4.12Å; I115-L119 VanDerWaalsContact O-CB 3.25Å; I115-L119 WeakPolarHBondContact O-CB 3.42Å; I115-L119 WeakPolarHBondContact O-CG 3.25Å; I115-L119 PolarHBondContact O-N 2.74Å
116T81.4Confident77.7Confident5 Ų554.7 Ų54.73%0.03131%0.314CS..Hα-helixtrans-64.2-43.8-179.4-55.50000111.5T76 A77 I112 R113 S120 A245T76-T116 WeakPolarHBondContact CG2-OG1 3.36Å; A77-T116 HydrophobicContact CB-CG2 4.07Å; I112-T116 VanDerWaalsContact O-CB 3.3Å; I112-T116 WeakPolarHBondContact O-CB 2.86Å; I112-T116 PolarHBondContact O-N 3.26Å; I112-T116 PolarHBondContact O-OG1 3.37Å; R113-T116 PolarHBondContact O-N 2.88Å; T116-S120 VanDerWaalsContact O-CB 3.29Å; T116-S120 WeakPolarHBondContact O-CB 3.2Å; T116-S120 PolarHBondContact O-N 3.49Å; T116-A245 HydrophobicContact CG2-CB 4.45Å
117T79.4Confident79Confident58 Ų5851 Ų5136%0.35629%0.292SS..Hα-helixtrans-64.7-47177.252.30000111.3R113 F114 S120 A121 L249R113-T117 WeakPolarHBondContact O-CG2 3.22Å; R113-T117 PolarHBondContact O-N 3.04Å; R113-T117 PolarHBondContact O-OG1 3.39Å; F114-T117 WeakPolarHBondContact CA-OG1 3.46Å; F114-T117 PolarHBondContact O-OG1 3.41Å; T117-S120 PolarHBondContact O-N 2.93Å; T117-A121 VanDerWaalsContact O-CB 3.29Å; T117-A121 WeakPolarHBondContact O-CB 3.16Å; T117-A121 PolarHBondContact O-N 3.47Å; T117-L249 HydrophobicContact CG2-CD1 3.47Å; T117-L249 VanDerWaalsContact CG2-CD1 3.47Å; T117-L249 HydrophobicContact CG2-CD2 3.94Å; T117-L249 HydrophobicContact CG2-CG 4.37Å
118T86.2Confident80.1Confident53 Ų5348.1 Ų48.133%0.32529%0.285SS..Hα-helixtrans-64.4-44.7179.8-58.30000111.3F114 I115 S120 A121 I122F114-T118 WeakPolarHBondContact O-CB 3.35Å; F114-T118 PolarHBondContact O-N 3.28Å; F114-T118 PolarHBondContact O-OG1 2.99Å; I115-T118 PolarHBondContact O-N 2.9Å; T118-S120 PolarHBondContact O-N 3.48Å; T118-A121 PolarHBondContact O-N 3.38Å; T118-I122 HydrophobicContact CG2-CD1 3.75Å; T118-I122 HydrophobicContact CG2-CG1 4.41Å; T118-I122 WeakPolarHBondContact O-CB 3.42Å; T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 3.43Å
119L83.9Confident81.2Confident44 Ų4450.3 Ų50.323%0.2330%0.295CS..Hα-helixtrans-63.1-41.7176.6-73.8175.9000112.2A72 A73 I115 I122 S123A72-L119 HydrophobicContact CB-CD1 4.19Å; A73-L119 HydrophobicContact CB-CB 4.03Å; I115-L119 HydrophobicContact CG2-CD1 3.6Å; I115-L119 HydrophobicContact CG2-CG 4.12Å; I115-L119 VanDerWaalsContact O-CB 3.25Å; I115-L119 WeakPolarHBondContact O-CB 3.42Å; I115-L119 WeakPolarHBondContact O-CG 3.25Å; I115-L119 PolarHBondContact O-N 2.74Å; L119-I122 PolarHBondContact O-N 3.48Å; L119-S123 WeakPolarHBondContact O-CB 3.47Å; L119-S123 PolarHBondContact O-N 2.96Å
120S83.2Confident82.1Confident9 Ų949.3 Ų49.36%0.06329%0.287CS..Hα-helixtrans-66.3-40.3176.1-170.10000111.7T116 T117 T118 S123 A124T116-S120 VanDerWaalsContact O-CB 3.29Å; T116-S120 WeakPolarHBondContact O-CB 3.2Å; T116-S120 PolarHBondContact O-N 3.49Å; T117-S120 PolarHBondContact O-N 2.93Å; T118-S120 PolarHBondContact O-N 3.48Å; S120-S123 PolarHBondContact O-N 3.36Å; S120-A124 WeakPolarHBondContact O-CB 3.33Å; S120-A124 PolarHBondContact O-N 2.94Å
121A85.1Confident82.8Confident59 Ų5947.4 Ų47.449%0.48828%0.275SS..Hα-helixtrans-65.7-40.6176.400000111.5T117 T118 A124 S125T117-A121 VanDerWaalsContact O-CB 3.29Å; T117-A121 WeakPolarHBondContact O-CB 3.16Å; T117-A121 PolarHBondContact O-N 3.47Å; T118-A121 PolarHBondContact O-N 3.38Å; A121-A124 PolarHBondContact O-N 3.39Å; A121-S125 VanDerWaalsContact O-CB 3.26Å; A121-S125 WeakPolarHBondContact O-CB 3.4Å; A121-S125 PolarHBondContact O-N 3.24Å; A121-S125 PolarHBondContact O-OG 2.86Å
122I86.3Confident83.2Confident82 Ų8249.9 Ų49.942%0.42129%0.286SS..Hα-helixtrans-63.7-42.8173.9-69165.8000110.6T118 L119 S125 A126T118-I122 HydrophobicContact CG2-CD1 3.75Å; T118-I122 HydrophobicContact CG2-CG1 4.41Å; T118-I122 WeakPolarHBondContact O-CB 3.42Å; T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 3.43Å; L119-I122 PolarHBondContact O-N 3.48Å; I122-S125 WeakPolarHBondContact CA-OG 3.28Å; I122-S125 PolarHBondContact O-OG 2.92Å; I122-S125 VanDerWaalsContact O-OG 3.04Å; I122-A126 WeakPolarHBondContact O-CB 3.26Å; I122-A126 PolarHBondContact O-N 3.43Å
123S87.3Confident83.8Confident0 Ų053.5 Ų53.50%030%0.3CS..Hα-helixtrans-60.4-50.2175.5-173.80000112.1A66 S69 G70 L119 S120 A126 A127A66-S123 PolarHBondContact O-OG 2.78Å; S69-S123 WeakPolarHBondContact OG-CA 3.21Å; S69-S123 WeakPolarHBondContact OG-CB 3.21Å; S69-S123 PolarHBondContact OG-N 3.39Å; G70-S123 PolarHBondContact N-OG 2.92Å; L119-S123 WeakPolarHBondContact O-CB 3.47Å; L119-S123 PolarHBondContact O-N 2.96Å; S120-S123 PolarHBondContact O-N 3.36Å; S123-A126 PolarHBondContact O-N 3.08Å; S123-A127 WeakPolarHBondContact O-CB 3.32Å; S123-A127 PolarHBondContact O-N 3.4Å
124A84.5Confident84.5Confident39 Ų3949.5 Ų49.532%0.32229%0.285SS..Hα-helixtrans-65.7-42.7-178.900000112.1S120 A121 A127 G128 T242S120-A124 WeakPolarHBondContact O-CB 3.33Å; S120-A124 PolarHBondContact O-N 2.94Å; A121-A124 PolarHBondContact O-N 3.39Å; A124-A127 PolarHBondContact O-N 3.09Å; A124-G128 PolarHBondContact O-N 3.14Å; A124-T242 HydrophobicContact CB-CG2 4.33Å
125S87.4Confident84.7Confident59 Ų5947.2 Ų47.241%0.41328%0.276SS..Hα-helixtrans-66-4417655.30000111.6A121 I122 A127 G128 L129A121-S125 VanDerWaalsContact O-CB 3.26Å; A121-S125 WeakPolarHBondContact O-CB 3.4Å; A121-S125 PolarHBondContact O-N 3.24Å; A121-S125 PolarHBondContact O-OG 2.86Å; I122-S125 WeakPolarHBondContact CA-OG 3.28Å; I122-S125 PolarHBondContact O-OG 2.92Å; I122-S125 VanDerWaalsContact O-OG 3.04Å; S125-A127 PolarHBondContact O-N 3.25Å; S125-G128 PolarHBondContact O-N 2.84Å; S125-L129 VanDerWaalsContact O-CB 3.28Å; S125-L129 WeakPolarHBondContact O-CB 3.18Å; S125-L129 WeakPolarHBondContact O-CG 3.22Å; S125-L129 PolarHBondContact O-N 3.41Å
126A85.9Confident84.7Confident6 Ų654.1 Ų54.15%0.0530%0.298CS..Hα-helixtrans-61.7-43.8175.700000112.1L62 A66 I122 S123 Y130L62-A126 HydrophobicContact CD1-CB 4.03Å; L62-A126 WeakPolarHBondContact CD2-O 3.25Å; L62-A126 HydrophobicContact CG-CB 4.05Å; L62-A126 WeakPolarHBondContact CG-O 3.47Å; A66-A126 HydrophobicContact CB-CB 3.81Å; I122-A126 WeakPolarHBondContact O-CB 3.26Å; I122-A126 PolarHBondContact O-N 3.43Å; S123-A126 PolarHBondContact O-N 3.08Å; A126-Y130 WeakPolarHBondContact O-CB 3.25Å; A126-Y130 PolarHBondContact O-N 2.79Å
127A85Confident84.9Confident11 Ų1155.4 Ų55.49%0.09131%0.305CS..Hα-helixtrans-66.4-39.5175.300000112.5A66 S123 A124 S125 Y130 A131A66-A127 HydrophobicContact CB-CB 4.27Å; S123-A127 WeakPolarHBondContact O-CB 3.32Å; S123-A127 PolarHBondContact O-N 3.4Å; A124-A127 PolarHBondContact O-N 3.09Å; S125-A127 PolarHBondContact O-N 3.25Å; A127-Y130 WeakPolarHBondContact O-CB 3.45Å; A127-Y130 PolarHBondContact O-N 2.89Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.03Å
128G86.1Confident85.1Confident31 Ų3154.4 Ų54.432%0.3230%0.299SS..Hα-helixtrans-66.9-49177.900000112.3A124 S125 Y130 A131 L132A124-G128 PolarHBondContact O-N 3.14Å; S125-G128 PolarHBondContact O-N 2.84Å; G128-Y130 VanDerWaalsContact C-N 3.25Å; G128-Y130 PolarHBondContact O-N 3.02Å; G128-A131 CarbonylContact O-C 3.53Å; G128-A131 PolarHBondContact O-N 3.39Å; G128-A131 VanDerWaalsContact O-N 3.08Å; G128-L132 WeakPolarHBondContact O-CG 3.17Å; G128-L132 PolarHBondContact O-N 3.35Å
129L86.9Confident85Confident77 Ų7752.6 Ų52.640%0.40329%0.288SS..Hα-helixtrans-58.2-41.3173.1-68.4170.3000110.2L62 S125 A131 L132 F133L62-L129 HydrophobicContact CD2-CB 3.96Å; S125-L129 VanDerWaalsContact O-CB 3.28Å; S125-L129 WeakPolarHBondContact O-CB 3.18Å; S125-L129 WeakPolarHBondContact O-CG 3.22Å; S125-L129 PolarHBondContact O-N 3.41Å; L129-A131 VanDerWaalsContact C-N 3.35Å; L129-A131 PolarHBondContact O-N 3.32Å; L129-L132 PolarHBondContact O-N 2.87Å; L129-F133 HydrophobicContact CB-CD2 4.31Å; L129-F133 HydrophobicContact CD2-CD2 4.22Å; L129-F133 HydrophobicContact CD2-CE2 3.66Å; L129-F133 WeakPolarHBondContact O-CB 3.25Å; L129-F133 VanDerWaalsContact O-CD2 3.25Å; L129-F133 WeakPolarHBondContact O-CD2 3.39Å; L129-F133 PolarHBondContact O-N 2.86Å
130Y83.8Confident85Confident15 Ų1551 Ų516%0.05928%0.281CS..Hα-helixtrans-58.2-48173.6-171.6-98.2000112G59 L62 A126 A127 G128 L132 W134 Q135 K231G59-Y130 WeakPolarHBondContact O-CD2 3.11Å; G59-Y130 WeakPolarHBondContact O-CE2 3.13Å; L62-Y130 HydrophobicContact CD2-CD2 4.46Å; A126-Y130 WeakPolarHBondContact O-CB 3.25Å; A126-Y130 PolarHBondContact O-N 2.79Å; A127-Y130 WeakPolarHBondContact O-CB 3.45Å; A127-Y130 PolarHBondContact O-N 2.89Å; G128-Y130 VanDerWaalsContact C-N 3.25Å; G128-Y130 PolarHBondContact O-N 3.02Å; Y130-L132 VanDerWaalsContact C-N 3.29Å; Y130-L132 PolarHBondContact O-N 3.15Å; Y130-W134 HydrophobicContact CD2-CB 3.85Å; Y130-W134 HydrophobicContact CD2-CD2 4.03Å; Y130-W134 AromaticContact CD2-CE3 3.9Å; Y130-W134 HydrophobicContact CD2-CE3 3.9Å; Y130-W134 HydrophobicContact CD2-CG 4.07Å; Y130-W134 HydrophobicContact CE1-CB 4.37Å; Y130-W134 HydrophobicContact CE2-CB 3.56Å; Y130-W134 HydrophobicContact CE2-CD2 4.22Å; Y130-W134 AromaticContact CE2-CG 3.84Å; Y130-W134 HydrophobicContact CE2-CG 3.84Å; Y130-W134 HydrophobicContact CG-CB 4.37Å; Y130-W134 WeakPolarHBondContact O-CA 3.2Å; Y130-W134 WeakPolarHBondContact O-CB 3.44Å; Y130-W134 PolarHBondContact O-N 2.69Å; Y130-Q135 PolarHBondContact O-N 3.49Å; Y130-K231 HydrophobicContact CE1-CD 4.09Å; Y130-K231 HydrophobicContact CE1-CG 3.98Å; Y130-K231 VanDerWaalsContact OH-CE 3.26Å; Y130-K231 WeakPolarHBondContact OH-CE 3.23Å
131A84.4Confident85.1Confident29 Ų2955.2 Ų55.224%0.2430%0.298CS..Hα-helixtrans-68.8-22.3179.700000113.8A127 G128 L129 Q135A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.03Å; G128-A131 CarbonylContact O-C 3.53Å; G128-A131 PolarHBondContact O-N 3.39Å; G128-A131 VanDerWaalsContact O-N 3.08Å; L129-A131 VanDerWaalsContact C-N 3.35Å; L129-A131 PolarHBondContact O-N 3.32Å; A131-Q135 WeakPolarHBondContact O-CB 3.35Å
132L84.5Confident85.1Confident123 Ų12352.6 Ų52.664%0.64428%0.276SS*.Hα-helixtrans-85.8-47.7176.6-68.3174.2000111.3G128 L129 Y130G128-L132 WeakPolarHBondContact O-CG 3.17Å; G128-L132 PolarHBondContact O-N 3.35Å; L129-L132 PolarHBondContact O-N 2.87Å; Y130-L132 VanDerWaalsContact C-N 3.29Å; Y130-L132 PolarHBondContact O-N 3.15Å
133F86.3Confident85Confident111 Ų11151.2 Ų51.249%0.48727%0.267SS..Hα-helixtrans-86.3-38.8-173.4-69.4-78000113.2L129 D137L129-F133 HydrophobicContact CB-CD2 4.31Å; L129-F133 HydrophobicContact CD2-CD2 4.22Å; L129-F133 HydrophobicContact CD2-CE2 3.66Å; L129-F133 WeakPolarHBondContact O-CB 3.25Å; L129-F133 VanDerWaalsContact O-CD2 3.25Å; L129-F133 WeakPolarHBondContact O-CD2 3.39Å; L129-F133 PolarHBondContact O-N 2.86Å; F133-D137 WeakPolarHBondContact O-CB 3.17Å
134W85.1Confident84.6Confident16 Ų1652.4 Ų52.46%0.06128%0.278CS..SBendtrans-108.24.1-173.1-71-87.9000114.3W55 T58 G59 L62 Y130 C140 K231W55-W134 AromaticContact CD1-NE1 3.69Å; W55-W134 HydrophobicContact CD2-CZ2 4.43Å; W55-W134 AromaticContact CE2-NE1 3.86Å; W55-W134 HydrophobicContact CZ2-CZ2 4.42Å; W55-W134 AromaticContact NE1-CD1 3.93Å; W55-W134 AromaticContact NE1-NE1 3.41Å; W55-W134 PolarHBondContact O-NE1 2.8Å; T58-W134 HydrophobicContact CG2-CH2 4.02Å; T58-W134 HydrophobicContact CG2-CZ2 4.07Å; G59-W134 VanDerWaalsContact CA-CZ2 3.46Å; G59-W134 VanDerWaalsContact N-CZ2 3.34Å; L62-W134 HydrophobicContact CD2-CE3 4.18Å; L62-W134 HydrophobicContact CD2-CH2 4.21Å; L62-W134 HydrophobicContact CD2-CZ3 3.53Å; Y130-W134 HydrophobicContact CD2-CB 3.85Å; Y130-W134 HydrophobicContact CD2-CD2 4.03Å; Y130-W134 AromaticContact CD2-CE3 3.9Å; Y130-W134 HydrophobicContact CD2-CE3 3.9Å; Y130-W134 HydrophobicContact CD2-CG 4.07Å; Y130-W134 HydrophobicContact CE1-CB 4.37Å; Y130-W134 HydrophobicContact CE2-CB 3.56Å; Y130-W134 HydrophobicContact CE2-CD2 4.22Å; Y130-W134 AromaticContact CE2-CG 3.84Å; Y130-W134 HydrophobicContact CE2-CG 3.84Å; Y130-W134 HydrophobicContact CG-CB 4.37Å; Y130-W134 WeakPolarHBondContact O-CA 3.2Å; Y130-W134 WeakPolarHBondContact O-CB 3.44Å; Y130-W134 PolarHBondContact O-N 2.69Å; W134-C140 VanDerWaalsContact C-SG 3.54Å; W134-C140 WeakPolarHBondContact CA-SG 3.27Å; W134-C140 HydrophobicContact CB-CB 4.42Å; W134-C140 WeakPolarHBondContact CB-SG 3.45Å; W134-C140 WeakPolarHBondContact O-CB 3.21Å; W134-C140 PolarHBondContact O-SG 2.88Å; W134-K231 PolarHBondContact O-NZ 2.82Å
135Q83.4Confident84Confident94 Ų9451.6 Ų51.644%0.43927%0.27SS..SBendtrans-77.3-41.4173.7-174.968.919.200111.6Y130 A131Y130-Q135 PolarHBondContact O-N 3.49Å; A131-Q135 WeakPolarHBondContact O-CB 3.35Å
136W82.4Confident82.6Confident216 Ų21656.4 Ų56.482%0.81829%0.287SS*.SBendtrans-95.3-20.4-176.6-56.7108.1000113.4P138W136-P138 WeakPolarHBondContact O-CD 3.26Å
137D86.6Confident81.1Confident32 Ų3259.1 Ų59.117%0.17131%0.305CS..  trans-70.9121.5-178.2173.111.1000112W55 F133 C139 C140W55-D137 PolarHBondContact NE1-OD2 3.39Å; F133-D137 WeakPolarHBondContact O-CB 3.17Å; D137-C139 PolarHBondContact O-N 2.9Å; D137-C139 WeakPolarHBondContact OD1-CB 3.38Å; D137-C139 PolarHBondContact OD1-N 3.18Å; D137-C139 PolarHBondContact OD1-SG 3.48Å; D137-C140 VanDerWaalsContact CB-SG 3.6Å; D137-C140 WeakPolarHBondContact O-CB 3.32Å; D137-C140 PolarHBondContact O-N 2.69Å; D137-C140 PolarHBondContact O-SG 3.02Å
138P83Confident79.4Confident37 Ų3761.6 Ų61.624%0.2432%0.317CS..G310 helixtrans-58-29.5175.6-24.535.1000114.2L34 W136 C140 K141L34-P138 HydrophobicContact CB-CB 3.75Å; L34-P138 HydrophobicContact CD1-CB 4.16Å; W136-P138 WeakPolarHBondContact O-CD 3.26Å; P138-C140 PolarHBondContact O-N 2.93Å; P138-C140 VanDerWaalsContact O-N 3.13Å; P138-K141 PolarHBondContact O-N 3.3Å
139C84Confident77.6Confident14 Ų1464.4 Ų64.410%0.09534%0.336CS..G310 helixtrans-59.3-27.4-179.2-59.40000112.2L34 I56 D137 K141 Y142L34-C139 HydrophobicContact CD1-CB 4.48Å; L34-C139 WeakPolarHBondContact CD1-SG 3.41Å; I56-C139 HydrophobicContact CD1-CB 4.44Å; I56-C139 HydrophobicContact CG1-CB 4.25Å; D137-C139 PolarHBondContact O-N 2.9Å; D137-C139 WeakPolarHBondContact OD1-CB 3.38Å; D137-C139 PolarHBondContact OD1-N 3.18Å; D137-C139 PolarHBondContact OD1-SG 3.48Å; C139-K141 PolarHBondContact O-N 2.95Å; C139-K141 VanDerWaalsContact O-N 3.09Å; C139-Y142 PolarHBondContact O-N 3.07Å
140C82.9Confident75.7Confident12 Ų1264.6 Ų64.68%0.08134%0.344CS..G310 helixtrans-68.3-10.6-176.6-48.30000114.6W134 D137 P138 Y142W134-C140 VanDerWaalsContact C-SG 3.54Å; W134-C140 WeakPolarHBondContact CA-SG 3.27Å; W134-C140 HydrophobicContact CB-CB 4.42Å; W134-C140 WeakPolarHBondContact CB-SG 3.45Å; W134-C140 WeakPolarHBondContact O-CB 3.21Å; W134-C140 PolarHBondContact O-SG 2.88Å; D137-C140 VanDerWaalsContact CB-SG 3.6Å; D137-C140 WeakPolarHBondContact O-CB 3.32Å; D137-C140 PolarHBondContact O-N 2.69Å; D137-C140 PolarHBondContact O-SG 3.02Å; P138-C140 PolarHBondContact O-N 2.93Å; P138-C140 VanDerWaalsContact O-N 3.13Å; C140-Y142 VanDerWaalsContact C-N 3.31Å
141K85.2Confident74.2Confident97 Ų9764.7 Ų64.742%0.42235%0.346SS..G310 helixtrans-90.3-0.9173.3-63.2176.6-176.9168.10111.8P138 C139 H224 R225P138-K141 PolarHBondContact O-N 3.3Å; C139-K141 PolarHBondContact O-N 2.95Å; C139-K141 VanDerWaalsContact O-N 3.09Å; K141-H224 CarbonylContact O-C 3.57Å; K141-H224 WeakPolarHBondContact O-CA 3.31Å; K141-R225 PolarHBondContact O-N 2.77Å
142Y85.5Confident72.4Confident4 Ų466 Ų662%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-117.1142.7-178.3-66.1-101.6000110.1L34 V38 V41 C139 C140 L222 V223 H224L34-Y142 HydrophobicContact CB-CE2 4.33Å; L34-Y142 HydrophobicContact CD2-CD1 4.29Å; L34-Y142 HydrophobicContact CD2-CD2 3.48Å; L34-Y142 VanDerWaalsContact CD2-CD2 3.48Å; L34-Y142 HydrophobicContact CD2-CE1 4.08Å; L34-Y142 HydrophobicContact CD2-CE2 3.24Å; L34-Y142 HydrophobicContact CD2-CG 4.01Å; L34-Y142 HydrophobicContact CG-CE2 4.35Å; V38-Y142 PolarHBondContact N-OH 3.04Å; V38-Y142 VanDerWaalsContact O-CE1 3.24Å; V38-Y142 WeakPolarHBondContact O-CE1 3.16Å; V38-Y142 PolarHBondContact O-OH 3.4Å; V38-Y142 VanDerWaalsContact O-OH 3.11Å; V41-Y142 HydrophobicContact CG2-CD1 4.44Å; V41-Y142 HydrophobicContact CG2-CE1 3.85Å; C139-Y142 PolarHBondContact O-N 3.07Å; C140-Y142 VanDerWaalsContact C-N 3.31Å; Y142-L222 HydrophobicContact CD1-CB 4.11Å; Y142-L222 HydrophobicContact CG-CB 4.47Å; Y142-V223 CarbonylContact C-O 3.57Å; Y142-V223 VanDerWaalsContact CA-O 3.32Å; Y142-V223 WeakPolarHBondContact CA-O 3.29Å; Y142-H224 HydrophobicContact CD1-CB 4.01Å; Y142-H224 HydrophobicContact CE1-CB 3.7Å; Y142-H224 AromaticContact CE2-CD2 3.73Å; Y142-H224 AromaticContact CZ-CD2 3.57Å
143Q84.3Confident70.8Confident52 Ų5267.8 Ų67.824%0.24337%0.367CS..EExtended strand (participates in β ladder)trans-112.4138.9171.5-68.1-172.3-12.400109.3A145 L222 V223 R225 D227Q143-A145 PolarHBondContact O-N 2.9Å; Q143-L222 WeakPolarHBondContact O-CA 3.29Å; Q143-V223 PolarHBondContact N-O 2.98Å; Q143-V223 PolarHBondContact O-N 3.01Å; Q143-R225 HydrophobicContact CG-CB 4.34Å; Q143-R225 VanDerWaalsContact OE1-CD 3.3Å; Q143-D227 PolarHBondContact NE2-OD2 2.91Å
144A80.2Confident69.1Low26 Ų2664.7 Ų64.722%0.21537%0.367CS..EExtended strand (participates in β ladder)trans-68.8118.2170.200000110.9W53 Q146 V221 L222W53-A144 HydrophobicContact CG-CB 4.15Å; A144-Q146 PolarHBondContact O-N 3.34Å; A144-V221 CarbonylContact C-O 3.54Å; A144-V221 WeakPolarHBondContact CA-O 3.36Å; A144-L222 HydrophobicContact CB-CD2 4.45Å
145A71.3Confident67.3Low21 Ų2165.7 Ų65.717%0.17438%0.375CS..EExtended strand (participates in β ladder)trans-74.8101.2167.700000108.6Q143 S147 L151 V221 V223Q143-A145 PolarHBondContact O-N 2.9Å; A145-S147 PolarHBondContact O-N 3.43Å; A145-L151 HydrophobicContact CB-CD1 3.78Å; A145-V221 HydrophobicContact CB-CB 4.06Å; A145-V221 HydrophobicContact CB-CG1 4.01Å; A145-V221 PolarHBondContact N-O 3.4Å; A145-V223 HydrophobicContact CB-CG2 4.18Å
146Q58.5Low65.6Low161 Ų16163 Ų6375%0.75237%0.368SS*.SBendtrans-67-14.4177-68.2-178.4-4.100113.2A144A144-Q146 PolarHBondContact O-N 3.34Å
147S53.7Low63.7Low62 Ų6255.9 Ų55.943%0.43435%0.352SS..  trans-142.2129.9-177-169.60000111.1A145 A149 S150 L151A145-S147 PolarHBondContact O-N 3.43Å; S147-A149 PolarHBondContact O-N 3.04Å; S147-A149 WeakPolarHBondContact OG-CB 3.36Å; S147-A149 PolarHBondContact OG-N 2.84Å; S147-S150 WeakPolarHBondContact O-CB 3.25Å; S147-S150 PolarHBondContact O-N 2.8Å; S147-S150 PolarHBondContact O-OG 3.29Å; S147-L151 WeakPolarHBondContact O-CD1 3.39Å
148L49.4Very low61.8Low64 Ų6459 Ų5934%0.33536%0.364SS..G310 helixtrans-51.9-24.3166.2-83.576.9000111.8S150 L151 A156 A203L148-S150 PolarHBondContact O-N 3.47Å; L148-L151 WeakPolarHBondContact O-CB 3.33Å; L148-L151 PolarHBondContact O-N 2.89Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-A156 HydrophobicContact CD2-CB 4.12Å; L148-A203 HydrophobicContact CD2-CB 4.37Å
149A47.7Very low59.9Low89 Ų8958.7 Ų58.774%0.73636%0.362SS*.G310 helixtrans-67.3-17.917600000114.3S147S147-A149 PolarHBondContact O-N 3.04Å; S147-A149 WeakPolarHBondContact OG-CB 3.36Å; S147-A149 PolarHBondContact OG-N 2.84Å
150S47.7Very low58.1Low82 Ų8261.5 Ų61.557%0.57338%0.378SS*.G310 helixtrans-88.4-8175.167.20000113.4S147 L148S147-S150 WeakPolarHBondContact O-CB 3.25Å; S147-S150 PolarHBondContact O-N 2.8Å; S147-S150 PolarHBondContact O-OG 3.29Å; L148-S150 PolarHBondContact O-N 3.47Å
151L51.6Low56.3Low16 Ų1664.6 Ų64.68%0.08440%0.4CS..SBendtrans-79.5148.4179-76.155.1000110.4M40 A145 S147 L148 V153 T155 V221M40-L151 HydrophobicContact CE-CD2 3.35Å; M40-L151 HydrophobicContact CE-CG 3.93Å; A145-L151 HydrophobicContact CB-CD1 3.78Å; S147-L151 WeakPolarHBondContact O-CD1 3.39Å; L148-L151 WeakPolarHBondContact O-CB 3.33Å; L148-L151 PolarHBondContact O-N 2.89Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L151-V153 PolarHBondContact O-N 2.84Å; L151-T155 WeakPolarHBondContact CB-OG1 3.41Å; L151-T155 WeakPolarHBondContact CD2-OG1 3.29Å; L151-V221 HydrophobicContact CD1-CG1 4.19Å; L151-V221 HydrophobicContact CD2-CG1 4.29Å; L151-V221 HydrophobicContact CG-CG1 4.33Å
152P47.9Very low54.2Low56 Ų5661.7 Ų61.736%0.36439%0.392SS..  trans-54.7137172.8-19.429.9000111.1K8 G154 T155K8-P152 HydrophobicContact CD-CG 4.27Å; P152-G154 PolarHBondContact O-N 2.72Å; P152-G154 VanDerWaalsContact O-N 3.11Å; P152-T155 PolarHBondContact O-N 2.87Å; P152-T155 PolarHBondContact O-OG1 2.73Å
153V50.4Low51.8Low161 Ų16166.2 Ų66.298%0.97642%0.416SS*.THydrogen-bonded Turntrans-45.3118174.4179.80000109.1L151L151-V153 PolarHBondContact O-N 2.84Å
154G51.3Low49.3Very low46 Ų4670.6 Ų70.647%0.47444%0.437SS..THydrogen-bonded Turntrans118.4-14.317800000116.7P152 S157P152-G154 PolarHBondContact O-N 2.72Å; P152-G154 VanDerWaalsContact O-N 3.11Å; G154-S157 PolarHBondContact O-OG 3.49Å
155T46.2Very low46.9Very low37 Ų3773.2 Ų73.223%0.22746%0.458CS..Hα-helixtrans-88.6-36.7177.849.90000113M40 L151 P152 S157 F158 V159M40-T155 HydrophobicContact CE-CG2 4.43Å; M40-T155 HydrophobicContact SD-CG2 3.94Å; L151-T155 WeakPolarHBondContact CB-OG1 3.41Å; L151-T155 WeakPolarHBondContact CD2-OG1 3.29Å; P152-T155 PolarHBondContact O-N 2.87Å; P152-T155 PolarHBondContact O-OG1 2.73Å; T155-S157 VanDerWaalsContact C-N 3.27Å; T155-S157 PolarHBondContact O-N 2.98Å; T155-F158 PolarHBondContact O-N 2.82Å; T155-F158 VanDerWaalsContact O-N 3.14Å; T155-V159 PolarHBondContact O-N 3.31Å
156A47.4Very low44.8Very low37 Ų3779.3 Ų79.331%0.30649%0.487SS..Hα-helixtrans-62.8-33.3175.400000112.6L148 T160L148-A156 HydrophobicContact CD2-CB 4.12Å; A156-T160 PolarHBondContact O-N 3.5Å; A156-T160 PolarHBondContact O-OG1 2.86Å
157S44Very low43.4Very low68 Ų6876 Ų7648%0.47648%0.478SS..Hα-helixtrans-68.5-35.8173.947.60000112.1G154 T155 T160 S161G154-S157 PolarHBondContact O-OG 3.49Å; T155-S157 VanDerWaalsContact C-N 3.27Å; T155-S157 PolarHBondContact O-N 2.98Å; S157-T160 PolarHBondContact O-N 2.85Å; S157-S161 WeakPolarHBondContact O-CB 3.3Å; S157-S161 PolarHBondContact O-N 3.45Å; S157-S161 PolarHBondContact O-OG 3.4Å; S157-S161 VanDerWaalsContact O-OG 3.12Å
158F46.1Very low42.2Very low96 Ų9680.6 Ų80.642%0.42150%0.498SS..Hα-helixtrans-69.1-41.5178.4-174.2-98000112.3Y10 I12 T155 T160 S161 S162Y10-F158 HydrophobicContact CE2-CE1 4.31Å; I12-F158 HydrophobicContact CD1-CE1 4.24Å; T155-F158 PolarHBondContact O-N 2.82Å; T155-F158 VanDerWaalsContact O-N 3.14Å; F158-T160 PolarHBondContact O-N 3.43Å; F158-S161 PolarHBondContact O-N 2.91Å; F158-S161 VanDerWaalsContact O-N 3.15Å; F158-S162 PolarHBondContact O-N 2.9Å; F158-S162 PolarHBondContact O-OG 2.87Å; F158-S162 VanDerWaalsContact O-OG 3.08Å
159V43.1Very low41.1Very low32 Ų3281.9 Ų81.919%0.19451%0.512CS..Hα-helixtrans-61.4-30.3173.71740000111.6I42 T155 S162I42-V159 HydrophobicContact CD1-CG2 4.06Å; T155-V159 PolarHBondContact O-N 3.31Å; V159-S162 PolarHBondContact O-OG 3.32Å; V159-S162 VanDerWaalsContact O-OG 3.07Å
160T47Very low39.9Very low73 Ų7386 Ų8645%0.44852%0.516SS..Hα-helixtrans-79.3-39.7174-50.90000111.7A156 S157 F158 S162 N163A156-T160 PolarHBondContact O-N 3.5Å; A156-T160 PolarHBondContact O-OG1 2.86Å; S157-T160 PolarHBondContact O-N 2.85Å; F158-T160 PolarHBondContact O-N 3.43Å; T160-S162 VanDerWaalsContact C-N 3.31Å; T160-S162 PolarHBondContact O-N 3.27Å; T160-N163 PolarHBondContact O-N 3.38Å
161S44.4Very low39Very low76 Ų7687.6 Ų87.653%0.53152%0.524SS..Hα-helixtrans-66-30.5177.7-680000113S157 F158 N163 H164S157-S161 WeakPolarHBondContact O-CB 3.3Å; S157-S161 PolarHBondContact O-N 3.45Å; S157-S161 PolarHBondContact O-OG 3.4Å; S157-S161 VanDerWaalsContact O-OG 3.12Å; F158-S161 PolarHBondContact O-N 2.91Å; F158-S161 VanDerWaalsContact O-N 3.15Å; S161-N163 VanDerWaalsContact C-N 3.3Å; S161-N163 PolarHBondContact O-N 3.46Å; S161-H164 PolarHBondContact O-N 2.96Å
162S41.7Very low37.7Very low37 Ų3789.3 Ų89.326%0.25955%0.545SS..Hα-helixtrans-71.6-22.617547.70000113.6F158 V159 T160F158-S162 PolarHBondContact O-N 2.9Å; F158-S162 PolarHBondContact O-OG 2.87Å; F158-S162 VanDerWaalsContact O-OG 3.08Å; V159-S162 PolarHBondContact O-OG 3.32Å; V159-S162 VanDerWaalsContact O-OG 3.07Å; T160-S162 VanDerWaalsContact C-N 3.31Å; T160-S162 PolarHBondContact O-N 3.27Å
163N35Very low36.6Very low98 Ų9893.1 Ų93.152%0.52456%0.563SS.*Hα-helixtrans-81.9-24176.6-71-2.5000112.7T160 S161T160-N163 PolarHBondContact O-N 3.38Å; S161-N163 VanDerWaalsContact C-N 3.3Å; S161-N163 PolarHBondContact O-N 3.46Å
164H31.4Very low35.5Very low145 Ų14592.5 Ų92.567%0.67155%0.554SS**Hα-helixtrans-83.7-11.8174-84.3-73.5000114.2S161 L166S161-H164 PolarHBondContact O-N 2.96Å; H164-L166 VanDerWaalsContact C-N 3.29Å; H164-L166 PolarHBondContact O-N 3.47Å
165A30Very low34.5Very low81 Ų8196 Ų9667%0.66957%0.571SS**THydrogen-bonded Turntrans-83.5-1.3176.500000113.8
166L27.5Very low33.6Very low148 Ų148100.6 Ų100.678%0.77561%0.605SS**THydrogen-bonded Turntrans-129.140.5178.9-74.7162.2000111.5H164H164-L166 VanDerWaalsContact C-N 3.29Å; H164-L166 PolarHBondContact O-N 3.47Å
167T28.2Very low32.7Very low93 Ų93102.4 Ų102.457%0.57163%0.628SS**  trans-136.884.1161.673.40000108.6
168N28.7Very low31.9Very low157 Ų157105.3 Ų105.384%0.8465%0.648SS**  trans163.7127.3155.1-87.3-2.6000106.2
169S25.9Very low31Very low91 Ų91104.1 Ų104.164%0.63666%0.663SS**  cis177.4125.6-9.928.60000102.7
170H22.1Very low30.1Very low177 Ų177111.4 Ų111.482%0.81970%0.697SS**  trans-52.3126.3155.3-158.5-3.4000107.8
171P29.5Very low29Very low115 Ų115112.6 Ų112.675%0.74771%0.708SS**  -139.314199.834.3-18.3000110.3
172G25Very low28.1Very low51 Ų51116.8 Ų116.853%0.52672%0.724SS.*  107.8103.373.700000107.8
173D24.5Very low27.2Very low136 Ų136118.3 Ų118.373%0.72775%0.746SS**  trans44108.4148.7-54-22000121.1
174N27.2Very low26.7Very low148 Ų148123.2 Ų123.279%0.79177%0.766SS**  22.2109.2127.98.5-61.5000117.9
175S28.9Very low26.6Very low120 Ų120121.4 Ų121.484%0.83977%0.77SS**  -170.2140.1127.446.10000112
176S27.3Very low27.2Very low133 Ų133122.1 Ų122.193%0.9377%0.767SS**  trans-62130.9178.5-45.20000112
177G30.1Very low26.9Very low76 Ų76122.7 Ų122.778%0.78477%0.771SS**  trans-159.8106.8175.900000112.1
178S26.5Very low26.7Very low129 Ų129121.5 Ų121.590%0.90278%0.778SS**  trans-65.2149.8174.648.40000114.5
179G27.6Very low26.5Very low71 Ų71120 Ų12073%0.73278%0.78SS**  trans146.589.4163.200000111.6
180M23.3Very low26.5Very low184 Ų184123.1 Ų123.191%0.90679%0.788SS**  53.5117.893.9-68.8-178.473.900116.3
181S24.6Very low26.7Very low98 Ų98123.3 Ų123.369%0.68579%0.789SS**  trans109.1119.2134.678.10000120.6
182N24.9Very low26.5Very low164 Ų164123 Ų12388%0.87778%0.781SS**  85129.4127.9-62.2-3.5000123.1
183G24Very low26.7Very low70 Ų70125.9 Ų125.972%0.72279%0.792SS**  trans105.395.8139.500000114.6
184E24.6Very low26.7Very low200 Ų200129.3 Ų129.394%0.93580%0.795SS**  97.1126.782-158.4147.2122.200112.4
185S27.6Very low26.7Very low107 Ų107126.8 Ų126.875%0.74880%0.795SS**  trans-71.7-168.7175-129.60000110.9
186P42.8Very low26.7Very low96 Ų96126.7 Ų126.762%0.62379%0.794SS**  cis-138.1-179.5-21.935.8-15.7000114.6
187N22.5Very low26.8Very low160 Ų160126 Ų12686%0.85678%0.78SS**  trans77.8124.6147.7-65.9-26.5000122
188G23.4Very low26.8Very low69 Ų69126.1 Ų126.171%0.71178%0.781SS**  trans137.3116130.400000117.5
189S25Very low26.9Very low125 Ų125127.9 Ų127.987%0.87477%0.773SS**  trans108.4110.6144.4-56.70000118.3
190L24.2Very low27.1Very low156 Ų156135.6 Ų135.682%0.81778%0.78SS**  trans-47.5132.2157.7-71.887.4000111.2I192L190-I192 HydrophobicContact CD2-CD1 4.47Å; L190-I192 HydrophobicContact CD2-CG1 4.48Å
191E27.7Very low27.7Very low181 Ų181131.7 Ų131.785%0.84678%0.777SS**  trans-116.6101.9154.6-140-174.5176.900109.9S193E191-S193 PolarHBondContact O-N 3.18Å; E191-S193 VanDerWaalsContact O-N 3.13Å
192I24.6Very low28.1Very low110 Ų110137.8 Ų137.856%0.56478%0.784SS**  trans-71.594.2168.6-66.7171.1000106.9L190 R194L190-I192 HydrophobicContact CD2-CD1 4.47Å; L190-I192 HydrophobicContact CD2-CG1 4.48Å; I192-R194 HydrophobicContact CG2-CG 4.01Å; I192-R194 PolarHBondContact O-N 2.94Å
193S30.2Very low28.7Very low110 Ų110132.8 Ų132.877%0.76977%0.766SS**  trans-80.397.2163.4-82.30000109.7E191E191-S193 PolarHBondContact O-N 3.18Å; E191-S193 VanDerWaalsContact O-N 3.13Å
194R24.1Very low29.1Very low209 Ų209137.1 Ų137.179%0.78977%0.771SS**  trans-67.5161160.6-72.4176.6170.496-3.3110.2I192I192-R194 HydrophobicContact CG2-CG 4.01Å; I192-R194 PolarHBondContact O-N 2.94Å
195A27.7Very low29.7Very low94 Ų94131.8 Ų131.878%0.77775%0.748SS**  trans98.394.815700000117.7
196S27.7Very low30.2Very low118 Ų118130.4 Ų130.483%0.82574%0.743SS**  44.9106114.9-171.50000117.7
197N29Very low29.6Very low120 Ų120134.5 Ų134.564%0.64275%0.754SS**  -152.7119.3122.3-152.5-14.3000109.6K199N197-K199 WeakPolarHBondContact ND2-CE 3.34Å; N197-K199 PolarHBondContact O-N 3.42Å
198G31.2Very low30.1Very low78 Ų78133.6 Ų133.680%0.80475%0.749SS**  trans-68.642.5177.100000114R200G198-R200 VanDerWaalsContact C-N 3.32Å; G198-R200 PolarHBondContact O-N 3.44Å; G198-R200 VanDerWaalsContact O-N 3.09Å
199K28.4Very low30.6Very low166 Ų166139.3 Ų139.372%0.72276%0.757SS**  trans-83.187.9169.7-69.6-179.2-179.2177.10107.5N197 A201N197-K199 WeakPolarHBondContact ND2-CE 3.34Å; N197-K199 PolarHBondContact O-N 3.42Å; K199-A201 PolarHBondContact O-N 2.85Å
200R31.3Very low31.4Very low233 Ų233137.8 Ų137.888%0.87975%0.746SS**  trans-11.7105.1154.1-162.6179.4-164.5-179.74.5109.6G198 R202G198-R200 VanDerWaalsContact C-N 3.32Å; G198-R200 PolarHBondContact O-N 3.44Å; G198-R200 VanDerWaalsContact O-N 3.09Å; R200-R202 PolarHBondContact O-N 2.76Å
201A36.3Very low31.9Very low102 Ų102136.9 Ų136.984%0.84374%0.742SS**  trans-60.489.817900000108.4K199 A203K199-A201 PolarHBondContact O-N 2.85Å; A201-A203 PolarHBondContact O-N 2.73Å
202R33.2Very low32.5Very low225 Ų225133.7 Ų133.785%0.84974%0.74SS**  trans-67.8110.4164.1-172.7-178.5-169.5-167.32.3103R200 I204R200-R202 PolarHBondContact O-N 2.76Å; R202-I204 PolarHBondContact O-N 2.97Å
203A37.9Very low33.5Very low60 Ų60135.3 Ų135.350%0.49675%0.75SS.*  trans-52.2106173.900000107.3L148 A201 I205L148-A203 HydrophobicContact CD2-CB 4.37Å; A201-A203 PolarHBondContact O-N 2.73Å; A203-I205 PolarHBondContact O-N 3.39Å; A203-I205 VanDerWaalsContact O-N 3.11Å
204I32.4Very low34.2Very low160 Ų160134.6 Ų134.682%0.82175%0.745SS**  trans-73.9104.2172-62.9179.1000103.3R202 A206R202-I204 PolarHBondContact O-N 2.97Å; I204-A206 PolarHBondContact O-N 3.49Å; I204-A206 VanDerWaalsContact O-N 3.15Å
205I36.1Very low35.4Very low89 Ų89129.1 Ų129.146%0.45674%0.736SS.*  trans-49.8118.1170-66.4167.5000106.3A203 E207 P216A203-I205 PolarHBondContact O-N 3.39Å; A203-I205 VanDerWaalsContact O-N 3.11Å; I205-E207 PolarHBondContact O-N 2.8Å; I205-P216 HydrophobicContact CD1-CB 4.32Å; I205-P216 HydrophobicContact CD1-CG 4.26Å; I205-P216 HydrophobicContact CG2-CB 3.34Å; I205-P216 HydrophobicContact CG2-CG 4.28Å
206A37.8Very low36.6Very low78 Ų78127.5 Ų127.565%0.64572%0.718SS**  trans-63.9101.4169.500000107.2I204 N208I204-A206 PolarHBondContact O-N 3.49Å; I204-A206 VanDerWaalsContact O-N 3.15Å; A206-N208 VanDerWaalsContact C-N 3.33Å; A206-N208 PolarHBondContact O-N 3.41Å
207E30.8Very low38.1Very low182 Ų182128.6 Ų128.685%0.8571%0.713SS**  trans-64.299.1160.1-76.9179.8142.400106.4I205 H209I205-E207 PolarHBondContact O-N 2.8Å; E207-H209 PolarHBondContact O-N 3.5Å; E207-H209 VanDerWaalsContact O-N 3.14Å
208N33.7Very low39.9Very low141 Ų141131 Ų13175%0.75471%0.714SS**  trans-71.9107.8165.4-160.8-10.2000106.7A206 S210A206-N208 VanDerWaalsContact C-N 3.33Å; A206-N208 PolarHBondContact O-N 3.41Å; N208-S210 PolarHBondContact O-N 3.03Å
209H32.8Very low42Very low189 Ų189129.4 Ų129.488%0.87569%0.689SS**SBendtrans-72.472.3-179.8-169.5-87.3000110.1E207E207-H209 PolarHBondContact O-N 3.5Å; E207-H209 VanDerWaalsContact O-N 3.14Å
210S41.6Very low44.4Very low92 Ų92122.1 Ų122.164%0.64366%0.658SS**SBendtrans-167.6107.4157.454.10000109.4N208N208-S210 PolarHBondContact O-N 3.03Å
211N35.4Very low46.8Very low138 Ų138111.3 Ų111.374%0.73862%0.618SS**  trans94.991.3175.5-142.613.2000116.1N213N211-N213 VanDerWaalsContact C-N 3.27Å; N211-N213 PolarHBondContact O-N 2.87Å
212S40.6Very low49.1Very low114 Ų114106.5 Ų106.580%0.79758%0.578SS**THydrogen-bonded Turntrans-74.218.8-16460.50000117.4
213N44.6Very low51.5Low144 Ų14498.3 Ų98.377%0.7755%0.553SS**THydrogen-bonded Turntrans-127.13.1-176.4-71.3-21.5000114.6N211N211-N213 VanDerWaalsContact C-N 3.27Å; N211-N213 PolarHBondContact O-N 2.87Å
214S45.3Very low53.6Low95 Ų9597.7 Ų97.766%0.66454%0.54SS*.SBendtrans-90.8118.8173.8-60.90000109.2
215P49.3Very low55.9Low94 Ų9496.7 Ų96.761%0.6153%0.526SS*.PPolyproline II helixtrans-57.7150.9173.922.8-30.2000110.1L217P215-L217 PolarHBondContact O-N 3.42Å
216P54Low57.7Low60 Ų6099.1 Ų99.139%0.3954%0.54SS..PPolyproline II helixtrans-61.8121.1-174.724.1-33.7000111I205 R218I205-P216 HydrophobicContact CD1-CB 4.32Å; I205-P216 HydrophobicContact CD1-CG 4.26Å; I205-P216 HydrophobicContact CG2-CB 3.34Å; I205-P216 HydrophobicContact CG2-CG 4.28Å; P216-R218 PolarHBondContact O-N 2.96Å
217L57.9Low59.4Low140 Ų14096.3 Ų96.373%0.73351%0.514SS*.  trans-53109.5179.9-65.9164.3000110.3E46 P215 P219E46-L217 HydrophobicContact CB-CD2 4.21Å; E46-L217 WeakPolarHBondContact OE2-CA 3.31Å; P215-L217 PolarHBondContact O-N 3.42Å; L217-P219 WeakPolarHBondContact O-CD 3.46Å
218R67.2Low61.4Low172 Ų17289.8 Ų89.865%0.64950%0.495SS*.  trans-101.9102.6173.6-72.2-177.9-177.4-168.83.2109.2E46 P216 V220E46-R218 PolarHBondContact OE1-N 3.27Å; P216-R218 PolarHBondContact O-N 2.96Å; R218-V220 PolarHBondContact O-N 2.9Å
219P74.7Confident63.4Low44 Ų4494.1 Ų94.129%0.28650%0.501SS..PPolyproline II helixtrans-62.6135.3177.126.1-33.6000109.9I42 I43 L217 V221I42-P219 HydrophobicContact CG2-CB 4.22Å; I43-P219 WeakPolarHBondContact O-CA 3.5Å; I43-P219 WeakPolarHBondContact O-CB 3.43Å; L217-P219 WeakPolarHBondContact O-CD 3.46Å; P219-V221 PolarHBondContact O-N 3.49Å
220V79.5Confident65.6Low13 Ų1388.6 Ų88.68%0.07947%0.473CS..EExtended strand (participates in β ladder)trans-81.8116.3176.8175.90000108.5I43 G49 W53 R218 L222I43-V220 PolarHBondContact N-O 3.44Å; I43-V220 PolarHBondContact O-N 2.96Å; G49-V220 VanDerWaalsContact C-CG2 3.45Å; W53-V220 HydrophobicContact CB-CG1 4.14Å; W53-V220 HydrophobicContact CB-CG2 4.48Å; R218-V220 PolarHBondContact O-N 2.9Å; V220-L222 HydrophobicContact CG1-CD2 4.33Å
221V81.6Confident67.4Low6 Ų685.4 Ų85.44%0.03645%0.447CS..EExtended strand (participates in β ladder)trans-96.6121.9177.7176.20000109M40 I42 A144 A145 L151 P219 V223M40-V221 HydrophobicContact CE-CG1 3.51Å; M40-V221 HydrophobicContact CE-CG2 4.4Å; M40-V221 HydrophobicContact CG-CG1 4.14Å; I42-V221 HydrophobicContact CG1-CG2 4.47Å; A144-V221 CarbonylContact C-O 3.54Å; A144-V221 WeakPolarHBondContact CA-O 3.36Å; A145-V221 HydrophobicContact CB-CB 4.06Å; A145-V221 HydrophobicContact CB-CG1 4.01Å; A145-V221 PolarHBondContact N-O 3.4Å; L151-V221 HydrophobicContact CD1-CG1 4.19Å; L151-V221 HydrophobicContact CD2-CG1 4.29Å; L151-V221 HydrophobicContact CG-CG1 4.33Å; P219-V221 PolarHBondContact O-N 3.49Å; V221-V223 HydrophobicContact CG1-CG2 4.21Å
222L84.4Confident69.4Low0 Ų083.3 Ų83.30%044%0.439CS..EExtended strand (participates in β ladder)trans-103.8125.4175.1-65.4177000109.3M40 V41 I43 T52 I56 Y142 Q143 A144 V220M40-L222 CarbonylContact C-O 3.57Å; M40-L222 WeakPolarHBondContact CA-O 3.13Å; V41-L222 HydrophobicContact CB-CB 4.13Å; V41-L222 PolarHBondContact N-O 3.01Å; V41-L222 PolarHBondContact O-N 3.43Å; I43-L222 HydrophobicContact CD1-CD1 3.62Å; I43-L222 HydrophobicContact CD1-CG 4.23Å; I43-L222 HydrophobicContact CG1-CD1 4.46Å; T52-L222 HydrophobicContact CG2-CD1 3.95Å; I56-L222 HydrophobicContact CD1-CD2 3.41Å; I56-L222 VanDerWaalsContact CD1-CD2 3.41Å; Y142-L222 HydrophobicContact CD1-CB 4.11Å; Y142-L222 HydrophobicContact CG-CB 4.47Å; Q143-L222 WeakPolarHBondContact O-CA 3.29Å; A144-L222 HydrophobicContact CB-CD2 4.45Å; V220-L222 HydrophobicContact CG1-CD2 4.33Å
223V84.7Confident71.2Confident54 Ų5483 Ų8333%0.32743%0.428SS..EExtended strand (participates in β ladder)trans-111.9129.2177.3-178.90000109.1Y142 Q143 A145 V221 R225Y142-V223 CarbonylContact C-O 3.57Å; Y142-V223 VanDerWaalsContact CA-O 3.32Å; Y142-V223 WeakPolarHBondContact CA-O 3.29Å; Q143-V223 PolarHBondContact N-O 2.98Å; Q143-V223 PolarHBondContact O-N 3.01Å; A145-V223 HydrophobicContact CB-CG2 4.18Å; V221-V223 HydrophobicContact CG1-CG2 4.21Å; V223-R225 PolarHBondContact O-N 2.91Å
224H81.3Confident72.7Confident46 Ų4678 Ų7821%0.21340%0.4CS..EExtended strand (participates in β ladder)trans-65.9127.2176.6-170.9-79.5000110C39 K141 Y142 D226C39-H224 PolarHBondContact O-N 3.31Å; K141-H224 CarbonylContact O-C 3.57Å; K141-H224 WeakPolarHBondContact O-CA 3.31Å; Y142-H224 HydrophobicContact CD1-CB 4.01Å; Y142-H224 HydrophobicContact CE1-CB 3.7Å; Y142-H224 AromaticContact CE2-CD2 3.73Å; Y142-H224 AromaticContact CZ-CD2 3.57Å; H224-D226 IonicContact CE1-OD1 2.6Å; H224-D226 PolarHBondContact CE1-OD1 2.86Å; H224-D226 IonicContact ND1-OD1 2.83Å
225R80.3Confident74.4Confident139 Ų13975.7 Ų75.753%0.52538%0.38SS..  trans-137.7130177.2-167.6-175.2-174.9114.25.7110.1K141 Q143 V223 D227K141-R225 PolarHBondContact O-N 2.77Å; Q143-R225 HydrophobicContact CG-CB 4.34Å; Q143-R225 VanDerWaalsContact OE1-CD 3.3Å; V223-R225 PolarHBondContact O-N 2.91Å; R225-D227 VanDerWaalsContact C-N 3.33Å; R225-D227 IonicContact NE-OD1 3.04Å; R225-D227 PolarHBondContact O-N 3.24Å
226D74.4Confident76.1Confident141 Ų14174.4 Ų74.475%0.75437%0.37SS*.  trans-73.485.7174.7-66.2-38.1000110.9H224 G228H224-D226 IonicContact CE1-OD1 2.6Å; H224-D226 PolarHBondContact CE1-OD1 2.86Å; H224-D226 IonicContact ND1-OD1 2.83Å; D226-G228 VanDerWaalsContact C-N 3.33Å
227D73.1Confident77.3Confident19 Ų1974.4 Ų74.410%0.10237%0.369CS..  trans-90.510176.8-83.6-25.7000113.2Q143 R225 R229 R230 K231Q143-D227 PolarHBondContact NE2-OD2 2.91Å; R225-D227 VanDerWaalsContact C-N 3.33Å; R225-D227 IonicContact NE-OD1 3.04Å; R225-D227 PolarHBondContact O-N 3.24Å; D227-R229 PolarHBondContact O-N 2.98Å; D227-R230 WeakPolarHBondContact O-CB 3.49Å; D227-R230 PolarHBondContact O-N 3.12Å; D227-R230 VanDerWaalsContact O-N 3.11Å; D227-K231 WeakPolarHBondContact O-CG 3.29Å; D227-K231 PolarHBondContact O-N 3.45Å
228G73.7Confident78.4Confident44 Ų4467.9 Ų67.945%0.45434%0.335SS..Hα-helixtrans-57.3-44.4-176.500000114.2D226 R230 K231 V232D226-G228 VanDerWaalsContact C-N 3.33Å; G228-R230 VanDerWaalsContact C-N 3.32Å; G228-R230 PolarHBondContact O-N 3.34Å; G228-K231 PolarHBondContact O-N 3.29Å; G228-V232 PolarHBondContact O-N 3.03Å; G228-V232 VanDerWaalsContact O-N 3.14Å
229R76Confident79.2Confident232 Ų23264.8 Ų64.888%0.87533%0.331SS*.Hα-helixtrans-62.4-39.4176.7-70.2178.664.8-168.50.6112.2D227 V232 L233D227-R229 PolarHBondContact O-N 2.98Å; R229-V232 PolarHBondContact O-N 3.47Å; R229-L233 WeakPolarHBondContact O-CB 3.48Å; R229-L233 PolarHBondContact O-N 3.24Å
230R78.3Confident79.7Confident74 Ų7466.6 Ų66.628%0.27934%0.342SS..Hα-helixtrans-61.7-47.6177.1-178.6174.3175.5-143-7.4109.4N60 D227 G228 V232 L233 H234N60-R230 PolarHBondContact OD1-NH1 3.37Å; D227-R230 WeakPolarHBondContact O-CB 3.49Å; D227-R230 PolarHBondContact O-N 3.12Å; D227-R230 VanDerWaalsContact O-N 3.11Å; G228-R230 VanDerWaalsContact C-N 3.32Å; G228-R230 PolarHBondContact O-N 3.34Å; R230-V232 PolarHBondContact O-N 2.93Å; R230-L233 PolarHBondContact O-N 3.45Å; R230-H234 VanDerWaalsContact CG-CD2 3.42Å; R230-H234 WeakPolarHBondContact CG-CD2 3.26Å; R230-H234 WeakPolarHBondContact CG-NE2 3.46Å; R230-H234 WeakPolarHBondContact O-CB 3.14Å; R230-H234 PolarHBondContact O-CD2 3.23Å; R230-H234 PolarHBondContact O-N 3.32Å; R230-H234 VanDerWaalsContact O-N 3.07Å
231K78.1Confident79.7Confident24 Ų2466.4 Ų66.410%0.10434%0.341CS..Hα-helixtrans-56.7-50.3177.7-62.3-174.8-174.9-165.20112.7Y130 W134 D227 G228 H234 N235Y130-K231 HydrophobicContact CE1-CD 4.09Å; Y130-K231 HydrophobicContact CE1-CG 3.98Å; Y130-K231 VanDerWaalsContact OH-CE 3.26Å; Y130-K231 WeakPolarHBondContact OH-CE 3.23Å; W134-K231 PolarHBondContact O-NZ 2.82Å; D227-K231 WeakPolarHBondContact O-CG 3.29Å; D227-K231 PolarHBondContact O-N 3.45Å; G228-K231 PolarHBondContact O-N 3.29Å; K231-H234 PolarHBondContact O-N 3.48Å; K231-N235 PolarHBondContact O-N 2.88Å
232V78.4Confident79.7Confident95 Ų9567.4 Ų67.458%0.57635%0.347SS*.Hα-helixtrans-63.5-45.6-179.3176.50000111.7G228 R229 R230 H234 N235 T236G228-V232 PolarHBondContact O-N 3.03Å; G228-V232 VanDerWaalsContact O-N 3.14Å; R229-V232 PolarHBondContact O-N 3.47Å; R230-V232 PolarHBondContact O-N 2.93Å; V232-H234 VanDerWaalsContact C-N 3.26Å; V232-H234 PolarHBondContact O-N 3.28Å; V232-N235 PolarHBondContact O-N 3.43Å; V232-T236 WeakPolarHBondContact O-CG2 3.42Å; V232-T236 PolarHBondContact O-N 2.74Å; V232-T236 PolarHBondContact O-OG1 3.34Å
233L79.1Confident79.7Confident107 Ų10772.5 Ų72.556%0.5637%0.374SS*.Hα-helixtrans-58.4-40.2178.3-179.965.4000111.7R229 R230 T236 V237R229-L233 WeakPolarHBondContact O-CB 3.48Å; R229-L233 PolarHBondContact O-N 3.24Å; R230-L233 PolarHBondContact O-N 3.45Å; L233-T236 VanDerWaalsContact C-OG1 3.3Å; L233-T236 WeakPolarHBondContact CA-OG1 3.33Å; L233-T236 PolarHBondContact O-OG1 3.45Å; L233-V237 WeakPolarHBondContact O-CG2 3.33Å; L233-V237 PolarHBondContact O-N 3.4Å
234H75.1Confident79.6Confident39 Ų3972.7 Ų72.718%0.18138%0.375CS..Hα-helixtrans-77.9-38.2-178.1-73.8-67.1000113H63 V67 R230 K231 V232 T236 V237 S238H63-H234 AromaticContact CD2-CD2 3.32Å; H63-H234 PolarHBondContact CD2-CD2 3.44Å; H63-H234 AromaticContact CD2-CG 3.68Å; H63-H234 AromaticContact CD2-NE2 3.83Å; H63-H234 WeakPolarHBondContact CE1-CB 3.26Å; H63-H234 AromaticContact CE1-CD2 3.85Å; H63-H234 AromaticContact CE1-CG 3.63Å; H63-H234 WeakPolarHBondContact NE2-CB 3.45Å; H63-H234 AromaticContact NE2-CD2 2.86Å; H63-H234 PolarHBondContact NE2-CD2 2.93Å; H63-H234 AromaticContact NE2-CG 3.08Å; H63-H234 AromaticContact NE2-NE2 3.83Å; V67-H234 HydrophobicContact CG2-CB 4.42Å; V67-H234 WeakPolarHBondContact CG2-ND1 3.24Å; R230-H234 VanDerWaalsContact CG-CD2 3.42Å; R230-H234 WeakPolarHBondContact CG-CD2 3.26Å; R230-H234 WeakPolarHBondContact CG-NE2 3.46Å; R230-H234 WeakPolarHBondContact O-CB 3.14Å; R230-H234 PolarHBondContact O-CD2 3.23Å; R230-H234 PolarHBondContact O-N 3.32Å; R230-H234 VanDerWaalsContact O-N 3.07Å; K231-H234 PolarHBondContact O-N 3.48Å; V232-H234 VanDerWaalsContact C-N 3.26Å; V232-H234 PolarHBondContact O-N 3.28Å; H234-T236 VanDerWaalsContact C-N 3.27Å; H234-T236 PolarHBondContact O-N 2.68Å; H234-V237 PolarHBondContact O-N 3.44Å; H234-S238 WeakPolarHBondContact O-CB 3.48Å; H234-S238 PolarHBondContact O-N 3.09Å; H234-S238 PolarHBondContact O-OG 2.84Å; H234-S238 VanDerWaalsContact O-OG 3.14Å
235N82.1Confident79.4Confident47 Ų4770.5 Ų70.525%0.25136%0.364SS..Hα-helixtrans-61.3-40173.9-74.8-0.7000111.2K231 V232 L239K231-N235 PolarHBondContact O-N 2.88Å; V232-N235 PolarHBondContact O-N 3.43Å; N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 PolarHBondContact O-N 3.09Å
236T83.3Confident79.4Confident66 Ų6667.1 Ų67.141%0.40536%0.362SS..Hα-helixtrans-65.5-45.4174.949.20000111.5V232 L233 H234 S238 L239 T240V232-T236 WeakPolarHBondContact O-CG2 3.42Å; V232-T236 PolarHBondContact O-N 2.74Å; V232-T236 PolarHBondContact O-OG1 3.34Å; L233-T236 VanDerWaalsContact C-OG1 3.3Å; L233-T236 WeakPolarHBondContact CA-OG1 3.33Å; L233-T236 PolarHBondContact O-OG1 3.45Å; H234-T236 VanDerWaalsContact C-N 3.27Å; H234-T236 PolarHBondContact O-N 2.68Å; T236-S238 PolarHBondContact O-N 3.09Å; T236-L239 PolarHBondContact O-N 3.12Å; T236-T240 WeakPolarHBondContact O-CB 3.49Å; T236-T240 PolarHBondContact O-N 3.36Å; T236-T240 PolarHBondContact O-OG1 2.89Å
237V80.5Confident79.6Confident60 Ų6067 Ų6736%0.36435%0.351SS..Hα-helixtrans-60.3-46.9175.6169.70000112.1L233 H234 L239 T240 S241L233-V237 WeakPolarHBondContact O-CG2 3.33Å; L233-V237 PolarHBondContact O-N 3.4Å; H234-V237 PolarHBondContact O-N 3.44Å; V237-L239 VanDerWaalsContact C-N 3.35Å; V237-L239 PolarHBondContact O-N 3.34Å; V237-T240 PolarHBondContact O-N 3.02Å; V237-S241 WeakPolarHBondContact O-CB 3.46Å; V237-S241 PolarHBondContact O-N 3.42Å
238S81.6Confident79.5Confident3 Ų367.6 Ų67.62%0.02135%0.354CS..Hα-helixtrans-64.2-39.8178.1-61.40000111.7H234 T236 T242H234-S238 WeakPolarHBondContact O-CB 3.48Å; H234-S238 PolarHBondContact O-N 3.09Å; H234-S238 PolarHBondContact O-OG 2.84Å; H234-S238 VanDerWaalsContact O-OG 3.14Å; T236-S238 PolarHBondContact O-N 3.09Å; S238-T242 WeakPolarHBondContact O-CB 3.47Å; S238-T242 PolarHBondContact O-N 3.34Å; S238-T242 PolarHBondContact O-OG1 3.16Å
239L83.5Confident79.4Confident107 Ų10767.6 Ų67.656%0.5634%0.344SS*.Hα-helixtrans-65.6-49.5176.2-175.369.1000111.2N235 T236 V237 S241 T242 L243N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 PolarHBondContact O-N 3.09Å; T236-L239 PolarHBondContact O-N 3.12Å; V237-L239 VanDerWaalsContact C-N 3.35Å; V237-L239 PolarHBondContact O-N 3.34Å; L239-S241 VanDerWaalsContact C-N 3.33Å; L239-S241 PolarHBondContact O-N 3.17Å; L239-T242 PolarHBondContact O-N 2.92Å; L239-L243 HydrophobicContact CG-CD1 4.23Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.41Å
240T84.4Confident79.3Confident83 Ų8363.2 Ų63.251%0.50933%0.332SS..Hα-helixtrans-60.4-44177.4-59.70000111T236 V237 T242 L243 V244T236-T240 WeakPolarHBondContact O-CB 3.49Å; T236-T240 PolarHBondContact O-N 3.36Å; T236-T240 PolarHBondContact O-OG1 2.89Å; V237-T240 PolarHBondContact O-N 3.02Å; T240-T242 VanDerWaalsContact C-N 3.31Å; T240-T242 PolarHBondContact O-N 3.29Å; T240-L243 PolarHBondContact O-N 3.23Å; T240-V244 HydrophobicContact CG2-CG2 4.38Å; T240-V244 WeakPolarHBondContact O-CB 3.45Å; T240-V244 VanDerWaalsContact O-CG2 3.29Å; T240-V244 WeakPolarHBondContact O-CG2 3.34Å; T240-V244 PolarHBondContact O-N 2.81Å
241S79.9Confident79.2Confident9 Ų967.6 Ų67.66%0.06335%0.348CS..Hα-helixtrans-58.3-44.2175-1780000111.9G70 V74 V237 L239 V244 A245G70-S241 WeakPolarHBondContact CA-OG 3.39Å; G70-S241 PolarHBondContact O-OG 3.47Å; V74-S241 WeakPolarHBondContact CG2-OG 3.5Å; V237-S241 WeakPolarHBondContact O-CB 3.46Å; V237-S241 PolarHBondContact O-N 3.42Å; L239-S241 VanDerWaalsContact C-N 3.33Å; L239-S241 PolarHBondContact O-N 3.17Å; S241-V244 PolarHBondContact O-N 3.29Å; S241-A245 WeakPolarHBondContact O-CB 3.35Å; S241-A245 PolarHBondContact O-N 2.78Å
242T80.9Confident78.6Confident27 Ų2770.2 Ų70.217%0.16636%0.357CS..Hα-helixtrans-64.9-44.8177.9-57.60000110.8A124 S238 L239 T240 V244 A245 C246A124-T242 HydrophobicContact CB-CG2 4.33Å; S238-T242 WeakPolarHBondContact O-CB 3.47Å; S238-T242 PolarHBondContact O-N 3.34Å; S238-T242 PolarHBondContact O-OG1 3.16Å; L239-T242 PolarHBondContact O-N 2.92Å; T240-T242 VanDerWaalsContact C-N 3.31Å; T240-T242 PolarHBondContact O-N 3.29Å; T242-V244 PolarHBondContact O-N 3.35Å; T242-A245 PolarHBondContact O-N 3.33Å; T242-C246 WeakPolarHBondContact O-CB 3.47Å; T242-C246 PolarHBondContact O-N 3.14Å; T242-C246 PolarHBondContact O-SG 3.01Å
243L84.9Confident78.1Confident107 Ų10770.1 Ų70.156%0.5636%0.361SS*.Hα-helixtrans-63.1-41.7177.7-70.8175.1000112.2L239 T240 C246 Y247L239-L243 HydrophobicContact CG-CD1 4.23Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.41Å; T240-L243 PolarHBondContact O-N 3.23Å; L243-C246 PolarHBondContact O-N 2.86Å; L243-Y247 VanDerWaalsContact O-CB 3.26Å; L243-Y247 WeakPolarHBondContact O-CB 3.22Å; L243-Y247 PolarHBondContact O-N 3.39Å
244V81.9Confident77.7Confident57 Ų5775.1 Ų75.135%0.34537%0.372SS..Hα-helixtrans-64.4-45.6176.1170.30000110.7T240 S241 T242 Y247 I248T240-V244 HydrophobicContact CG2-CG2 4.38Å; T240-V244 WeakPolarHBondContact O-CB 3.45Å; T240-V244 VanDerWaalsContact O-CG2 3.29Å; T240-V244 WeakPolarHBondContact O-CG2 3.34Å; T240-V244 PolarHBondContact O-N 2.81Å; S241-V244 PolarHBondContact O-N 3.29Å; T242-V244 PolarHBondContact O-N 3.35Å; V244-Y247 PolarHBondContact O-N 3.05Å; V244-I248 HydrophobicContact CG1-CD1 3.78Å; V244-I248 HydrophobicContact CG1-CG1 4.47Å; V244-I248 VanDerWaalsContact O-CG1 3.29Å; V244-I248 WeakPolarHBondContact O-CG1 3.43Å; V244-I248 PolarHBondContact O-N 3.49Å
245A77.1Confident76.6Confident0 Ų083.5 Ų83.50%041%0.411CS..Hα-helixtrans-60.9-47.417600000111.4T116 S241 T242 Y247 I248 L249T116-A245 HydrophobicContact CG2-CB 4.45Å; S241-A245 WeakPolarHBondContact O-CB 3.35Å; S241-A245 PolarHBondContact O-N 2.78Å; T242-A245 PolarHBondContact O-N 3.33Å; A245-Y247 VanDerWaalsContact C-N 3.35Å; A245-Y247 PolarHBondContact O-N 2.88Å; A245-I248 PolarHBondContact O-N 3.39Å; A245-L249 WeakPolarHBondContact O-CB 3.31Å; A245-L249 VanDerWaalsContact O-CG 3.23Å; A245-L249 WeakPolarHBondContact O-CG 3.34Å; A245-L249 PolarHBondContact O-N 3.09Å
246C80.1Confident76.4Confident69 Ų6985.4 Ų85.447%0.46642%0.419SS..Hα-helixtrans-59.2-43.6175.4-730000112.1T242 L243 L249 F250T242-C246 WeakPolarHBondContact O-CB 3.47Å; T242-C246 PolarHBondContact O-N 3.14Å; T242-C246 PolarHBondContact O-SG 3.01Å; L243-C246 PolarHBondContact O-N 2.86Å; C246-L249 PolarHBondContact O-N 3.42Å; C246-F250 VanDerWaalsContact O-CB 3.26Å; C246-F250 WeakPolarHBondContact O-CB 3.42Å; C246-F250 PolarHBondContact O-N 3.37Å
247Y79.8Confident76Confident137 Ų13786.4 Ų86.454%0.53742%0.42SS..Hα-helixtrans-64-44.2178.2175.3-99.4000112L243 V244 A245 F250 R251L243-Y247 VanDerWaalsContact O-CB 3.26Å; L243-Y247 WeakPolarHBondContact O-CB 3.22Å; L243-Y247 PolarHBondContact O-N 3.39Å; V244-Y247 PolarHBondContact O-N 3.05Å; A245-Y247 VanDerWaalsContact C-N 3.35Å; A245-Y247 PolarHBondContact O-N 2.88Å; Y247-F250 PolarHBondContact O-N 2.83Å; Y247-R251 WeakPolarHBondContact O-CB 3.08Å; Y247-R251 PolarHBondContact O-N 2.91Å
248I71.6Confident75.8Confident32 Ų3287.8 Ų87.816%0.16442%0.423CS..Hα-helixtrans-63.9-44.4177.5-68168.9000110.3A77 L81 V244 A245 R251 W252A77-I248 HydrophobicContact CB-CD1 3.71Å; A77-I248 HydrophobicContact CB-CG2 4.32Å; L81-I248 HydrophobicContact CD1-CD1 4.18Å; L81-I248 HydrophobicContact CD1-CG1 4.33Å; L81-I248 HydrophobicContact CD1-CG2 4.29Å; L81-I248 HydrophobicContact CD2-CG2 4.24Å; L81-I248 HydrophobicContact CG-CG2 4.26Å; V244-I248 HydrophobicContact CG1-CD1 3.78Å; V244-I248 HydrophobicContact CG1-CG1 4.47Å; V244-I248 VanDerWaalsContact O-CG1 3.29Å; V244-I248 WeakPolarHBondContact O-CG1 3.43Å; V244-I248 PolarHBondContact O-N 3.49Å; A245-I248 PolarHBondContact O-N 3.39Å; I248-R251 PolarHBondContact O-N 3.31Å; I248-W252 VanDerWaalsContact O-CB 3.31Å; I248-W252 WeakPolarHBondContact O-CB 3.38Å; I248-W252 PolarHBondContact O-N 2.88Å
249L69.9Low75.4Confident45 Ų4592.8 Ų92.824%0.23645%0.446CS..Hα-helixtrans-61.9-44.3175.8-71.4167.5000112T117 A245 C246 W252 S253T117-L249 HydrophobicContact CG2-CD1 3.47Å; T117-L249 VanDerWaalsContact CG2-CD1 3.47Å; T117-L249 HydrophobicContact CG2-CD2 3.94Å; T117-L249 HydrophobicContact CG2-CG 4.37Å; A245-L249 WeakPolarHBondContact O-CB 3.31Å; A245-L249 VanDerWaalsContact O-CG 3.23Å; A245-L249 WeakPolarHBondContact O-CG 3.34Å; A245-L249 PolarHBondContact O-N 3.09Å; C246-L249 PolarHBondContact O-N 3.42Å; L249-W252 PolarHBondContact O-N 3.29Å; L249-S253 WeakPolarHBondContact O-CB 3.26Å; L249-S253 PolarHBondContact O-N 3.41Å
250F75.4Confident74.9Confident140 Ų14091.9 Ų91.961%0.61444%0.439SS*.Hα-helixtrans-61.6-47.9177177.7-100.8000111.4C246 Y247 W252 S253 R254C246-F250 VanDerWaalsContact O-CB 3.26Å; C246-F250 WeakPolarHBondContact O-CB 3.42Å; C246-F250 PolarHBondContact O-N 3.37Å; Y247-F250 PolarHBondContact O-N 2.83Å; F250-W252 VanDerWaalsContact C-N 3.29Å; F250-W252 PolarHBondContact O-N 3.23Å; F250-S253 PolarHBondContact O-N 2.87Å; F250-R254 PolarHBondContact O-N 3.22Å
251R75.1Confident74.3Confident166 Ų16692.5 Ų92.563%0.62644%0.435SS*.Hα-helixtrans-62.2-37.7177.6-175.5177.4168.2152.4-1.9111.7Y247 I248Y247-R251 WeakPolarHBondContact O-CB 3.08Å; Y247-R251 PolarHBondContact O-N 2.91Å; I248-R251 PolarHBondContact O-N 3.31Å
252W65.4Low73.9Confident79 Ų7998.5 Ų98.530%0.29946%0.461SS..Hα-helixtrans-81.7-13.6179.6-147.568.6000113.9N84 P109 R113 I248 L249 F250N84-W252 PolarHBondContact ND2-NE1 3.28Å; N84-W252 VanDerWaalsContact ND2-NE1 3.14Å; P109-W252 HydrophobicContact CB-CH2 3.44Å; P109-W252 VanDerWaalsContact CB-CH2 3.44Å; P109-W252 HydrophobicContact CB-CZ2 4.35Å; P109-W252 HydrophobicContact CB-CZ3 3.84Å; P109-W252 HydrophobicContact CG-CH2 4.39Å; R113-W252 HydrophobicContact CG-CE3 4.1Å; R113-W252 HydrophobicContact CG-CZ3 4.09Å; R113-W252 PolarHBondContact NH2-O 3.32Å; I248-W252 VanDerWaalsContact O-CB 3.31Å; I248-W252 WeakPolarHBondContact O-CB 3.38Å; I248-W252 PolarHBondContact O-N 2.88Å; L249-W252 PolarHBondContact O-N 3.29Å; F250-W252 VanDerWaalsContact C-N 3.29Å; F250-W252 PolarHBondContact O-N 3.23Å
253S69.3Low73.4Confident92 Ų92104 Ų10464%0.64348%0.484SS*.Hα-helixtrans-83.9-20.4170.9-176.30000112.8L249 F250L249-S253 WeakPolarHBondContact O-CB 3.26Å; L249-S253 PolarHBondContact O-N 3.41Å; F250-S253 PolarHBondContact O-N 2.87Å
254R71Confident72.4Confident213 Ų213103.8 Ų103.880%0.80448%0.478SS*.  trans-91.4-8.7-176.3-170.417615993.54113.3F250F250-R254 PolarHBondContact O-N 3.22Å
255H52.1Low71.5Confident215 Ų215108 Ų108100%0.99549%0.49SS*.  trans-113.40177.9-162.2-51000110

Retrieved 255 of 255 residues in 427.4 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).