A0A077Z992_TRITR Loading...

Charged multivesicular body protein 3

AlphaFold DB , UniProt , Accession A0A077Z992, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M44.4Very low57.9Low229 Ų229142.5 Ų142.5100%1.12877%0.768SS**  01210-72.7-175.4179.700107.5
2N51.8Low59.4Low167 Ų167138.4 Ų138.489%0.89375%0.746SS**  trans-96.2119.5171.5-70.411.7000107.7F4N2-F4 VanDerWaalsContact C-N 3.32Å; N2-F4 PolarHBondContact O-N 3.28Å
3L50.7Low61.1Low159 Ų159134 Ų13483%0.83272%0.716SS**SBendtrans-84.815.7-166-93.8152.4000115.3
4F65.5Low62.8Low178 Ų178130.2 Ų130.278%0.78170%0.696SS**  trans-125.6108.9174.2-65.1-76.8000108.5N2 L6N2-F4 VanDerWaalsContact C-N 3.32Å; N2-F4 PolarHBondContact O-N 3.28Å; F4-L6 PolarHBondContact O-N 3.37Å
5G55.7Low64.2Low87 Ų87123.9 Ų123.990%0.89766%0.658SS**SBendtrans-62.820.4-177.900000115.8
6L56.4Low65.5Low161 Ų161116.1 Ų116.184%0.84362%0.617SS**  trans-100.858.8167.5-74.480.8000108.7F4 K8F4-L6 PolarHBondContact O-N 3.37Å; L6-K8 VanDerWaalsContact C-N 3.26Å; L6-K8 PolarHBondContact O-N 3Å
7S57.6Low66.8Low102 Ų102117.9 Ų117.971%0.71361%0.614SS**  trans-61.3104.6150.4168.20000104.9P9S7-P9 VanDerWaalsContact O-N 3.12Å
8K57.8Low68Low166 Ų166112.9 Ų112.972%0.72259%0.588SS**  trans-39.9125.6167.6-175.4177.7-179177.10106.8L6 R10L6-K8 VanDerWaalsContact C-N 3.26Å; L6-K8 PolarHBondContact O-N 3Å; K8-R10 PolarHBondContact O-N 3.4Å; K8-R10 VanDerWaalsContact O-N 3.13Å
9P56.7Low69Low112 Ų112107 Ų10773%0.72756%0.557SS**PPolyproline II helixtrans-49.4130.417620.8-31.6000106.9S7 S11S7-P9 VanDerWaalsContact O-N 3.12Å; P9-S11 PolarHBondContact O-N 3.16Å
10R65.1Low70Confident163 Ų163102.3 Ų102.362%0.61553%0.533SS*.PPolyproline II helixtrans-46.8118.4-173.2-75.7-166.3-74.4171.6-3.1107.5K8 D12K8-R10 PolarHBondContact O-N 3.4Å; K8-R10 VanDerWaalsContact O-N 3.13Å; R10-D12 PolarHBondContact O-N 3.19Å
11S75.8Confident71.1Confident43 Ų43104.5 Ų104.530%0.30154%0.535SS..PPolyproline II helixtrans-58.7136.7176.2178.60000107.4P9 K13 D14 Y15P9-S11 PolarHBondContact O-N 3.16Å; S11-K13 PolarHBondContact O-N 3.04Å; S11-D14 WeakPolarHBondContact CB-OD2 3.46Å; S11-D14 WeakPolarHBondContact O-CA 3.42Å; S11-D14 WeakPolarHBondContact O-CB 3.46Å; S11-D14 PolarHBondContact O-N 3.04Å; S11-Y15 PolarHBondContact O-N 3.07Å; S11-Y15 VanDerWaalsContact O-N 3.1Å
12D76Confident73.3Confident94 Ų9497.1 Ų97.150%0.50349%0.494SS..Hα-helixtrans-50.2-35.4178.5-56.8-18.8000111.5R10 D14 Y15 V16 M100R10-D12 PolarHBondContact O-N 3.19Å; D12-D14 PolarHBondContact O-N 3.45Å; D12-Y15 WeakPolarHBondContact O-CB 3.25Å; D12-Y15 PolarHBondContact O-N 3.39Å; D12-V16 WeakPolarHBondContact O-CG2 3.49Å; D12-V16 PolarHBondContact O-N 3.49Å; D12-V16 VanDerWaalsContact O-N 3.08Å; D12-M100 VanDerWaalsContact C-CE 3.49Å; D12-M100 HydrophobicContact CB-CE 3.45Å; D12-M100 VanDerWaalsContact CB-CE 3.45Å; D12-M100 HydrophobicContact CB-SD 3.55Å; D12-M100 VanDerWaalsContact CB-SD 3.55Å; D12-M100 WeakPolarHBondContact O-CE 3.31Å
13K81.5Confident75.1Confident81 Ų8189.2 Ų89.235%0.35245%0.452SS..Hα-helixtrans-62.6-39.9174-67.6-173174.7-174.10113.6S11 Y15 R17 A95S11-K13 PolarHBondContact O-N 3.04Å; K13-Y15 VanDerWaalsContact C-N 3.32Å; K13-R17 VanDerWaalsContact O-CG 3.27Å; K13-R17 WeakPolarHBondContact O-CG 3.43Å; K13-R17 PolarHBondContact O-N 3.35Å; K13-R17 VanDerWaalsContact O-N 3.09Å; K13-A95 WeakPolarHBondContact CE-O 3.45Å
14D84.6Confident77.1Confident81 Ų8184.4 Ų84.443%0.43343%0.427SS..Hα-helixtrans-71.9-31.7178.3-64.1-30.8000111.3S11 D12 R17 D18S11-D14 WeakPolarHBondContact CB-OD2 3.46Å; S11-D14 WeakPolarHBondContact O-CA 3.42Å; S11-D14 WeakPolarHBondContact O-CB 3.46Å; S11-D14 PolarHBondContact O-N 3.04Å; D12-D14 PolarHBondContact O-N 3.45Å; D14-R17 PolarHBondContact O-N 3.3Å; D14-R17 IonicContact OD1-CZ 3.34Å; D14-R17 IonicContact OD1-NH1 2.84Å; D14-R17 PolarHBondContact OD1-NH1 3.43Å; D14-D18 PolarHBondContact O-N 3.02Å
15Y83.9Confident78.4Confident35 Ų3579.9 Ų79.914%0.13741%0.408CS..Hα-helixtrans-63.2-50172.8-175.8-106000111.8S11 D12 K13 R17 D18 L19 E133 A137 I139S11-Y15 PolarHBondContact O-N 3.07Å; S11-Y15 VanDerWaalsContact O-N 3.1Å; D12-Y15 WeakPolarHBondContact O-CB 3.25Å; D12-Y15 PolarHBondContact O-N 3.39Å; K13-Y15 VanDerWaalsContact C-N 3.32Å; Y15-R17 VanDerWaalsContact C-N 3.28Å; Y15-R17 PolarHBondContact O-N 3.4Å; Y15-D18 PolarHBondContact O-N 3.17Å; Y15-D18 VanDerWaalsContact O-N 3.16Å; Y15-L19 HydrophobicContact CD1-CD1 3.97Å; Y15-L19 HydrophobicContact CE1-CD1 3.45Å; Y15-L19 VanDerWaalsContact CE1-CD1 3.45Å; Y15-L19 HydrophobicContact CE1-CG 4.12Å; Y15-L19 PolarHBondContact O-N 3.38Å; Y15-L19 VanDerWaalsContact O-N 3.09Å; Y15-E133 WeakPolarHBondContact OH-CB 3.2Å; Y15-E133 PolarHBondContact OH-O 3.48Å; Y15-E133 PolarHBondContact OH-OE2 2.84Å; Y15-A137 HydrophobicContact CD1-CB 3.94Å; Y15-A137 HydrophobicContact CE1-CB 3.39Å; Y15-I139 HydrophobicContact CD1-CD1 4.37Å; Y15-I139 HydrophobicContact CE1-CD1 4.27Å
16V84.4Confident80.2Confident0 Ų077.1 Ų77.10%037%0.372CS..Hα-helixtrans-60.7-37176176.40000111.8D12 L19 C20 M91 A95 M100 I139D12-V16 WeakPolarHBondContact O-CG2 3.49Å; D12-V16 PolarHBondContact O-N 3.49Å; D12-V16 VanDerWaalsContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 3.27Å; V16-C20 WeakPolarHBondContact O-CB 3.32Å; V16-C20 PolarHBondContact O-N 3.28Å; V16-C20 PolarHBondContact O-SG 3.48Å; V16-M91 HydrophobicContact CG1-CB 4Å; V16-M91 HydrophobicContact CG1-CE 4.05Å; V16-M91 WeakPolarHBondContact CG1-O 3.31Å; V16-M91 WeakPolarHBondContact O-CE 3.38Å; V16-A95 HydrophobicContact CB-CB 4.24Å; V16-A95 HydrophobicContact CG1-CB 3.8Å; V16-M100 HydrophobicContact CG2-CE 3.51Å; V16-M100 HydrophobicContact CG2-SD 4.21Å; V16-I139 HydrophobicContact CG2-CD1 3.81Å; V16-I139 HydrophobicContact CG2-CG1 4.44Å
17R87.4Confident81.9Confident147 Ų14770 Ų7056%0.55534%0.336SS*.Hα-helixtrans-64-40.2175-74.7171-177.3146.9-3.5113.1K13 D14 Y15 C20 R21K13-R17 VanDerWaalsContact O-CG 3.27Å; K13-R17 WeakPolarHBondContact O-CG 3.43Å; K13-R17 PolarHBondContact O-N 3.35Å; K13-R17 VanDerWaalsContact O-N 3.09Å; D14-R17 PolarHBondContact O-N 3.3Å; D14-R17 IonicContact OD1-CZ 3.34Å; D14-R17 IonicContact OD1-NH1 2.84Å; D14-R17 PolarHBondContact OD1-NH1 3.43Å; Y15-R17 VanDerWaalsContact C-N 3.28Å; Y15-R17 PolarHBondContact O-N 3.4Å; R17-C20 WeakPolarHBondContact O-CB 3.28Å; R17-C20 PolarHBondContact O-N 3.04Å; R17-R21 PolarHBondContact O-N 3.09Å
18D89.4Confident83.8Confident27 Ų2770.9 Ų70.914%0.14432%0.324CS..Hα-helixtrans-66.7-43.4176.9-173.253000111.3D14 Y15 C20 R21 R22D14-D18 PolarHBondContact O-N 3.02Å; Y15-D18 PolarHBondContact O-N 3.17Å; Y15-D18 VanDerWaalsContact O-N 3.16Å; D18-C20 VanDerWaalsContact C-N 3.34Å; D18-C20 PolarHBondContact O-N 3.45Å; D18-R21 WeakPolarHBondContact O-CA 3.13Å; D18-R21 VanDerWaalsContact O-CB 3.31Å; D18-R21 WeakPolarHBondContact O-CB 3.44Å; D18-R21 PolarHBondContact O-N 2.84Å; D18-R21 IonicContact OD1-CZ 3.91Å; D18-R21 IonicContact OD1-NE 2.97Å; D18-R21 PolarHBondContact OD1-NE 2.91Å; D18-R21 IonicContact OD1-NH2 3.96Å; D18-R21 PolarHBondContact OD1-NH2 3.02Å; D18-R22 WeakPolarHBondContact O-CG 3.39Å; D18-R22 PolarHBondContact O-N 3.24Å; D18-R22 IonicContact OD2-CZ 2.7Å; D18-R22 IonicContact OD2-NE 2.73Å; D18-R22 PolarHBondContact OD2-NE 3.07Å; D18-R22 IonicContact OD2-NH2 3.01Å; D18-R22 PolarHBondContact OD2-NH2 3.29Å
19L87Confident85.5Confident1 Ų166.4 Ų66.41%0.00531%0.306CS..Hα-helixtrans-60.7-43174.9-69.1178.7000111.7Y15 V16 R21 R22 M23 M91 L130 E133 M134 I139Y15-L19 HydrophobicContact CD1-CD1 3.97Å; Y15-L19 HydrophobicContact CE1-CD1 3.45Å; Y15-L19 VanDerWaalsContact CE1-CD1 3.45Å; Y15-L19 HydrophobicContact CE1-CG 4.12Å; Y15-L19 PolarHBondContact O-N 3.38Å; Y15-L19 VanDerWaalsContact O-N 3.09Å; V16-L19 PolarHBondContact O-N 3.27Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.39Å; L19-R22 PolarHBondContact O-N 3.37Å; L19-M23 WeakPolarHBondContact O-CB 3.42Å; L19-M23 PolarHBondContact O-N 3.04Å; L19-M91 HydrophobicContact CB-CE 3.06Å; L19-M91 HydrophobicContact CB-SD 4.27Å; L19-M91 HydrophobicContact CD1-CE 3.73Å; L19-M91 HydrophobicContact CG-CE 4.05Å; L19-L130 HydrophobicContact CD2-CD2 3.48Å; L19-L130 VanDerWaalsContact CD2-CD2 3.48Å; L19-E133 HydrophobicContact CD2-CB 4.18Å; L19-E133 WeakPolarHBondContact CD2-OE2 3.44Å; L19-M134 HydrophobicContact CD1-CG 3.98Å; L19-I139 HydrophobicContact CD1-CD1 3.72Å
20C89.1Confident87.3Confident13 Ų1361.1 Ų61.19%0.08827%0.271CS..Hα-helixtrans-56.4-41.9170.9-82.40000111.6V16 R17 D18 M23 N24 M91V16-C20 WeakPolarHBondContact O-CB 3.32Å; V16-C20 PolarHBondContact O-N 3.28Å; V16-C20 PolarHBondContact O-SG 3.48Å; R17-C20 WeakPolarHBondContact O-CB 3.28Å; R17-C20 PolarHBondContact O-N 3.04Å; D18-C20 VanDerWaalsContact C-N 3.34Å; D18-C20 PolarHBondContact O-N 3.45Å; C20-M23 PolarHBondContact O-N 3.06Å; C20-N24 PolarHBondContact O-N 3.04Å; C20-N24 PolarHBondContact O-ND2 2.97Å; C20-M91 WeakPolarHBondContact SG-CB 3.35Å
21R91.9Very high88.8Confident148 Ų14855.2 Ų55.256%0.55825%0.252SS*.Hα-helixtrans-63.5-43.5178.9-174.9179.867.6158.40.6111.5R17 D18 L19 N24 Q25R17-R21 PolarHBondContact O-N 3.09Å; D18-R21 WeakPolarHBondContact O-CA 3.13Å; D18-R21 VanDerWaalsContact O-CB 3.31Å; D18-R21 WeakPolarHBondContact O-CB 3.44Å; D18-R21 PolarHBondContact O-N 2.84Å; D18-R21 IonicContact OD1-CZ 3.91Å; D18-R21 IonicContact OD1-NE 2.97Å; D18-R21 PolarHBondContact OD1-NE 2.91Å; D18-R21 IonicContact OD1-NH2 3.96Å; D18-R21 PolarHBondContact OD1-NH2 3.02Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.39Å; R21-N24 PolarHBondContact O-N 3.5Å; R21-Q25 WeakPolarHBondContact O-CG 3.44Å; R21-Q25 PolarHBondContact O-N 3.15Å
22R91Very high89.8Confident75 Ų7559.9 Ų59.928%0.28326%0.263SS..Hα-helixtrans-63.9-46.2176.5-66.2178.2-168.2-16611.1111.5D18 L19 N24 Q25 E26 L130 E133D18-R22 WeakPolarHBondContact O-CG 3.39Å; D18-R22 PolarHBondContact O-N 3.24Å; D18-R22 IonicContact OD2-CZ 2.7Å; D18-R22 IonicContact OD2-NE 2.73Å; D18-R22 PolarHBondContact OD2-NE 3.07Å; D18-R22 IonicContact OD2-NH2 3.01Å; D18-R22 PolarHBondContact OD2-NH2 3.29Å; L19-R22 PolarHBondContact O-N 3.37Å; R22-N24 VanDerWaalsContact C-N 3.28Å; R22-N24 PolarHBondContact O-N 3.43Å; R22-Q25 WeakPolarHBondContact O-CA 3.28Å; R22-Q25 VanDerWaalsContact O-CB 3.31Å; R22-Q25 WeakPolarHBondContact O-CB 3.47Å; R22-Q25 PolarHBondContact O-N 3.01Å; R22-E26 PolarHBondContact O-N 2.89Å; R22-L130 HydrophobicContact CB-CD1 4.47Å; R22-L130 HydrophobicContact CB-CD2 4.04Å; R22-E133 IonicContact CZ-OE1 2.69Å; R22-E133 IonicContact NH1-OE1 2.97Å; R22-E133 PolarHBondContact NH1-OE1 3.16Å; R22-E133 IonicContact NH1-OE2 3.05Å
23M90Very high90.7Very high1 Ų158 Ų581%0.00525%0.251CS..Hα-helixtrans-55.9-42.7175.2-172.160.571.200112L19 C20 Q25 E26 A27 I84 I87 S88 M114 L117 M127 L130L19-M23 WeakPolarHBondContact O-CB 3.42Å; L19-M23 PolarHBondContact O-N 3.04Å; C20-M23 PolarHBondContact O-N 3.06Å; M23-Q25 VanDerWaalsContact C-N 3.34Å; M23-Q25 PolarHBondContact O-N 3.46Å; M23-E26 PolarHBondContact O-N 3.34Å; M23-A27 PolarHBondContact O-N 3.49Å; M23-I84 HydrophobicContact CG-CB 4.48Å; M23-I84 HydrophobicContact CG-CG2 3.68Å; M23-I84 WeakPolarHBondContact O-CG2 3.47Å; M23-I84 HydrophobicContact SD-CB 3.97Å; M23-I84 HydrophobicContact SD-CG1 3.8Å; M23-I84 HydrophobicContact SD-CG2 3.68Å; M23-I87 HydrophobicContact CE-CB 4.24Å; M23-I87 HydrophobicContact CE-CD1 4.24Å; M23-I87 HydrophobicContact CE-CG2 3.76Å; M23-S88 WeakPolarHBondContact CG-OG 3.44Å; M23-M114 HydrophobicContact CE-SD 4.32Å; M23-L117 HydrophobicContact SD-CD1 4.41Å; M23-M127 HydrophobicContact CE-CE 4.29Å; M23-M127 HydrophobicContact CE-SD 3.77Å; M23-M127 HydrophobicContact SD-CE 3.6Å; M23-M127 VanDerWaalsContact SD-CE 3.6Å; M23-M127 HydrophobicContact SD-SD 3.89Å; M23-L130 HydrophobicContact CE-CD1 4.14Å
24N92Very high91.4Very high57 Ų5754.1 Ų54.131%0.30523%0.234SC..Hα-helixtrans-70.5-25.2174.7-73.3-63.5000113.8C20 R21 R22 R28C20-N24 PolarHBondContact O-N 3.04Å; C20-N24 PolarHBondContact O-ND2 2.97Å; R21-N24 PolarHBondContact O-N 3.5Å; R22-N24 VanDerWaalsContact C-N 3.28Å; R22-N24 PolarHBondContact O-N 3.43Å; N24-R28 WeakPolarHBondContact O-CG 3.41Å; N24-R28 VanDerWaalsContact O-CZ 3.26Å; N24-R28 PolarHBondContact O-N 2.89Å; N24-R28 PolarHBondContact O-NH1 3.23Å
25Q93.7Very high92Very high83 Ų8354.9 Ų54.939%0.38824%0.235SC..Hα-helixtrans-69.3-43.4172-73.1167-10.800110.8R21 R22 M23 R28 Q29R21-Q25 WeakPolarHBondContact O-CG 3.44Å; R21-Q25 PolarHBondContact O-N 3.15Å; R22-Q25 WeakPolarHBondContact O-CA 3.28Å; R22-Q25 VanDerWaalsContact O-CB 3.31Å; R22-Q25 WeakPolarHBondContact O-CB 3.47Å; R22-Q25 PolarHBondContact O-N 3.01Å; M23-Q25 VanDerWaalsContact C-N 3.34Å; M23-Q25 PolarHBondContact O-N 3.46Å; Q25-R28 PolarHBondContact O-N 3.17Å; Q25-Q29 PolarHBondContact O-N 3.28Å; Q25-Q29 VanDerWaalsContact O-N 3.08Å
26E92.3Very high92.7Very high30 Ų3055.4 Ų55.414%0.1425%0.246CC..Hα-helixtrans-62-42.4174.2-64.2-53.4136.800111.5R22 M23 R28 Q29 I30 I84 A126 M127R22-E26 PolarHBondContact O-N 2.89Å; M23-E26 PolarHBondContact O-N 3.34Å; E26-R28 VanDerWaalsContact C-N 3.25Å; E26-R28 PolarHBondContact O-N 2.94Å; E26-Q29 WeakPolarHBondContact O-CA 3.42Å; E26-Q29 VanDerWaalsContact O-CB 3.31Å; E26-Q29 WeakPolarHBondContact O-CB 3.43Å; E26-Q29 PolarHBondContact O-N 3.33Å; E26-I30 WeakPolarHBondContact O-CG1 3.42Å; E26-I30 PolarHBondContact O-N 3.35Å; E26-I84 HydrophobicContact CB-CD1 4.37Å; E26-A126 HydrophobicContact CG-CB 4.03Å; E26-M127 HydrophobicContact CB-CE 3.59Å; E26-M127 HydrophobicContact CG-CE 3.8Å
27A93.9Very high93.3Very high10 Ų1057.2 Ų57.28%0.08326%0.256CS..Hα-helixtrans-52.3-44.8173.800000112.4M23 Q29 I30 D31 I84M23-A27 PolarHBondContact O-N 3.49Å; A27-Q29 VanDerWaalsContact C-N 3.31Å; A27-Q29 PolarHBondContact O-N 3.3Å; A27-I30 PolarHBondContact O-N 3.4Å; A27-D31 PolarHBondContact O-N 2.99Å; A27-D31 VanDerWaalsContact O-N 3.1Å; A27-I84 HydrophobicContact CB-CG2 3.74Å
28R95.6Very high93.7Very high121 Ų12153.6 Ų53.646%0.45725%0.245SC..Hα-helixtrans-70.3-27.3177.8-70.4-174.6-68.7-89.92.5112.6N24 Q25 E26 R32N24-R28 WeakPolarHBondContact O-CG 3.41Å; N24-R28 VanDerWaalsContact O-CZ 3.26Å; N24-R28 PolarHBondContact O-N 2.89Å; N24-R28 PolarHBondContact O-NH1 3.23Å; Q25-R28 PolarHBondContact O-N 3.17Å; E26-R28 VanDerWaalsContact C-N 3.25Å; E26-R28 PolarHBondContact O-N 2.94Å; R28-R32 WeakPolarHBondContact O-CG 3.4Å; R28-R32 PolarHBondContact O-N 2.74Å; R28-R32 PolarHBondContact O-NH1 3.29Å; R28-R32 VanDerWaalsContact O-NH1 3.14Å
29Q94.6Very high94.1Very high73 Ų7359.9 Ų59.934%0.34127%0.267SS..Hα-helixtrans-69.8-42.2174.2-177.8158.3-29.700111.3Q25 E26 A27 D31 R32 Q33Q25-Q29 PolarHBondContact O-N 3.28Å; Q25-Q29 VanDerWaalsContact O-N 3.08Å; E26-Q29 WeakPolarHBondContact O-CA 3.42Å; E26-Q29 VanDerWaalsContact O-CB 3.31Å; E26-Q29 WeakPolarHBondContact O-CB 3.43Å; E26-Q29 PolarHBondContact O-N 3.33Å; A27-Q29 VanDerWaalsContact C-N 3.31Å; A27-Q29 PolarHBondContact O-N 3.3Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; Q29-D31 PolarHBondContact O-N 3.25Å; Q29-R32 WeakPolarHBondContact O-CB 3.41Å; Q29-R32 PolarHBondContact O-N 3.28Å; Q29-Q33 WeakPolarHBondContact O-CG 3.38Å; Q29-Q33 PolarHBondContact O-N 3Å
30I94.6Very high94.6Very high0 Ų064 Ų640%029%0.286CS..Hα-helixtrans-59-45.1172-59.9-55000110.7E26 A27 R32 Q33 I34 M77 T80 I84 E122E26-I30 WeakPolarHBondContact O-CG1 3.42Å; E26-I30 PolarHBondContact O-N 3.35Å; A27-I30 PolarHBondContact O-N 3.4Å; I30-R32 VanDerWaalsContact C-N 3.29Å; I30-R32 PolarHBondContact O-N 3.17Å; I30-Q33 WeakPolarHBondContact O-CB 3.41Å; I30-Q33 PolarHBondContact O-N 3.12Å; I30-I34 HydrophobicContact CG2-CD1 4.06Å; I30-I34 HydrophobicContact CG2-CG1 4.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 3.46Å; I30-M77 HydrophobicContact CG2-CB 3.76Å; I30-M77 HydrophobicContact CG2-CG 4.19Å; I30-M77 WeakPolarHBondContact CG2-O 3.16Å; I30-T80 HydrophobicContact CD1-CG2 4.14Å; I30-T80 HydrophobicContact CG1-CG2 4.15Å; I30-I84 HydrophobicContact CG1-CD1 4.27Å; I30-E122 HydrophobicContact CD1-CB 3.98Å
31D95.9Very high94.9Very high39 Ų3964.3 Ų64.321%0.20929%0.286CS..Hα-helixtrans-57.8-40.7176.1-73.5-33.4000112.3A27 Q29 Q33 I34 H35 K81A27-D31 PolarHBondContact O-N 2.99Å; A27-D31 VanDerWaalsContact O-N 3.1Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; Q29-D31 PolarHBondContact O-N 3.25Å; D31-Q33 VanDerWaalsContact C-N 3.35Å; D31-Q33 PolarHBondContact O-N 3.02Å; D31-I34 PolarHBondContact O-N 3.36Å; D31-H35 PolarHBondContact O-CD2 3.43Å; D31-H35 PolarHBondContact O-N 2.83Å; D31-H35 VanDerWaalsContact O-N 3.1Å; D31-K81 VanDerWaalsContact CG-NZ 3.27Å; D31-K81 IonicContact OD1-NZ 3.62Å; D31-K81 PolarHBondContact OD1-NZ 3.01Å; D31-K81 IonicContact OD2-NZ 3.6Å; D31-K81 PolarHBondContact OD2-NZ 2.85Å
32R96.8Very high95Very high141 Ų14159.6 Ų59.653%0.53228%0.279SS..Hα-helixtrans-64.1-39175.3-71.4-172.7-62.7-85.46.9112.3R28 Q29 I30 A36R28-R32 WeakPolarHBondContact O-CG 3.4Å; R28-R32 PolarHBondContact O-N 2.74Å; R28-R32 PolarHBondContact O-NH1 3.29Å; R28-R32 VanDerWaalsContact O-NH1 3.14Å; Q29-R32 WeakPolarHBondContact O-CB 3.41Å; Q29-R32 PolarHBondContact O-N 3.28Å; I30-R32 VanDerWaalsContact C-N 3.29Å; I30-R32 PolarHBondContact O-N 3.17Å; R32-A36 WeakPolarHBondContact O-CB 3.29Å; R32-A36 PolarHBondContact O-N 3.11Å
33Q95.2Very high95.3Very high54 Ų5462 Ų6225%0.25229%0.291SS..Hα-helixtrans-67.4-43.3177.1-70.6172.9-20.800111.5Q29 I30 D31 H35 A36 I37 M77Q29-Q33 WeakPolarHBondContact O-CG 3.38Å; Q29-Q33 PolarHBondContact O-N 3Å; I30-Q33 WeakPolarHBondContact O-CB 3.41Å; I30-Q33 PolarHBondContact O-N 3.12Å; D31-Q33 VanDerWaalsContact C-N 3.35Å; D31-Q33 PolarHBondContact O-N 3.02Å; Q33-H35 VanDerWaalsContact C-N 3.33Å; Q33-H35 PolarHBondContact O-N 3.36Å; Q33-A36 WeakPolarHBondContact O-CB 3.42Å; Q33-A36 PolarHBondContact O-N 2.6Å; Q33-A36 VanDerWaalsContact O-N 3.09Å; Q33-I37 WeakPolarHBondContact O-CG1 3.47Å; Q33-I37 PolarHBondContact O-N 2.86Å; Q33-M77 HydrophobicContact CB-CE 3.68Å; Q33-M77 HydrophobicContact CB-SD 3.91Å
34I96.8Very high95.6Very high1 Ų162.2 Ų62.21%0.00529%0.293CS..Hα-helixtrans-54.4-51.3174-69.8170.4000110.1I30 D31 A36 I37 Q38 V74 M77 Y78I30-I34 HydrophobicContact CG2-CD1 4.06Å; I30-I34 HydrophobicContact CG2-CG1 4.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 3.46Å; D31-I34 PolarHBondContact O-N 3.36Å; I34-A36 VanDerWaalsContact C-N 3.3Å; I34-A36 PolarHBondContact O-N 2.88Å; I34-I37 PolarHBondContact O-N 3.17Å; I34-Q38 HydrophobicContact CG2-CG 4.38Å; I34-Q38 WeakPolarHBondContact O-CG 3.3Å; I34-Q38 PolarHBondContact O-N 3.38Å; I34-V74 HydrophobicContact CG2-CG1 4.07Å; I34-M77 HydrophobicContact CD1-CB 3.85Å; I34-M77 HydrophobicContact CG1-CB 3.59Å; I34-M77 HydrophobicContact CG1-CG 4.26Å; I34-M77 HydrophobicContact CG1-SD 3.67Å; I34-Y78 HydrophobicContact CD1-CD1 4.06Å; I34-Y78 HydrophobicContact CD1-CE1 3.89Å; I34-Y78 HydrophobicContact CD1-CE2 4.42Å; I34-Y78 HydrophobicContact CD1-CG 4.38Å; I34-Y78 HydrophobicContact CG2-CE2 4.49Å
35H97.5Very high95.7Very high97 Ų9762.8 Ų62.845%0.44929%0.292SS..Hα-helixtrans-64.8-33.2179-67.3-46.2000113D31 Q33 Q38 R39D31-H35 PolarHBondContact O-CD2 3.43Å; D31-H35 PolarHBondContact O-N 2.83Å; D31-H35 VanDerWaalsContact O-N 3.1Å; Q33-H35 VanDerWaalsContact C-N 3.33Å; Q33-H35 PolarHBondContact O-N 3.36Å; H35-Q38 PolarHBondContact ND1-OE1 3.09Å; H35-R39 WeakPolarHBondContact O-CB 2.96Å; H35-R39 VanDerWaalsContact O-CG 3.3Å; H35-R39 WeakPolarHBondContact O-CG 3.08Å; H35-R39 PolarHBondContact O-N 3.47Å; H35-R39 VanDerWaalsContact O-N 3.08Å
36A97.4Very high95.7Very high45 Ų4565.6 Ų65.637%0.37231%0.306SS..Hα-helixtrans-65.1-45174.900000111.6R32 Q33 I34 R39 Q40R32-A36 WeakPolarHBondContact O-CB 3.29Å; R32-A36 PolarHBondContact O-N 3.11Å; Q33-A36 WeakPolarHBondContact O-CB 3.42Å; Q33-A36 PolarHBondContact O-N 2.6Å; Q33-A36 VanDerWaalsContact O-N 3.09Å; I34-A36 VanDerWaalsContact C-N 3.3Å; I34-A36 PolarHBondContact O-N 2.88Å; A36-R39 PolarHBondContact O-N 3.03Å; A36-Q40 PolarHBondContact O-N 2.94Å
37I96.6Very high95.8Very high38 Ų3866 Ų6620%0.19531%0.314CS..Hα-helixtrans-64.2-47.1177.1-66.8168.6000110.6Q33 I34 R39 Q40 E41 A73 V74 M77Q33-I37 WeakPolarHBondContact O-CG1 3.47Å; Q33-I37 PolarHBondContact O-N 2.86Å; I34-I37 PolarHBondContact O-N 3.17Å; I37-R39 VanDerWaalsContact C-N 3.3Å; I37-R39 PolarHBondContact O-N 3.27Å; I37-Q40 CarbonylContact O-C 3.33Å; I37-Q40 WeakPolarHBondContact O-CA 3.29Å; I37-Q40 WeakPolarHBondContact O-CB 3Å; I37-Q40 PolarHBondContact O-N 2.88Å; I37-E41 PolarHBondContact O-N 3.36Å; I37-A73 HydrophobicContact CD1-CB 4.21Å; I37-V74 HydrophobicContact CB-CG2 4.12Å; I37-V74 HydrophobicContact CG2-CG2 3.74Å; I37-M77 HydrophobicContact CD1-CE 3.48Å; I37-M77 VanDerWaalsContact CD1-CE 3.48Å; I37-M77 HydrophobicContact CD1-SD 3.73Å
38Q97.1Very high95.8Very high71 Ų7165.6 Ų65.633%0.33231%0.31SS..Hα-helixtrans-59.4-39.1178.5-72.6172.1-1800112.7I34 H35 Q40 E41 A42 V74I34-Q38 HydrophobicContact CG2-CG 4.38Å; I34-Q38 WeakPolarHBondContact O-CG 3.3Å; I34-Q38 PolarHBondContact O-N 3.38Å; H35-Q38 PolarHBondContact ND1-OE1 3.09Å; Q38-Q40 VanDerWaalsContact C-N 3.34Å; Q38-E41 PolarHBondContact O-N 2.93Å; Q38-A42 PolarHBondContact O-N 3.34Å; Q38-V74 HydrophobicContact CG-CG2 4.41Å
39R97.7Very high95.7Very high159 Ų15964.3 Ų64.360%0.631%0.308SS*.Hα-helixtrans-65.6-38.1174-76.1-173.2-58-119.51112.1H35 A36 I37 A42 K43H35-R39 WeakPolarHBondContact O-CB 2.96Å; H35-R39 VanDerWaalsContact O-CG 3.3Å; H35-R39 WeakPolarHBondContact O-CG 3.08Å; H35-R39 PolarHBondContact O-N 3.47Å; H35-R39 VanDerWaalsContact O-N 3.08Å; A36-R39 PolarHBondContact O-N 3.03Å; I37-R39 VanDerWaalsContact C-N 3.3Å; I37-R39 PolarHBondContact O-N 3.27Å; R39-A42 PolarHBondContact O-N 3.25Å; R39-K43 PolarHBondContact O-N 3.27Å
40Q96.2Very high95.6Very high88 Ų8863 Ų6341%0.41131%0.31SS..Hα-helixtrans-68.3-43.4176.1-173.66212.900110.9A36 I37 Q38 A42 K43 V44A36-Q40 PolarHBondContact O-N 2.94Å; I37-Q40 CarbonylContact O-C 3.33Å; I37-Q40 WeakPolarHBondContact O-CA 3.29Å; I37-Q40 WeakPolarHBondContact O-CB 3Å; I37-Q40 PolarHBondContact O-N 2.88Å; Q38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-A42 VanDerWaalsContact C-N 3.26Å; Q40-A42 PolarHBondContact O-N 3.06Å; Q40-K43 WeakPolarHBondContact O-CA 3.46Å; Q40-K43 WeakPolarHBondContact O-CB 3.42Å; Q40-K43 PolarHBondContact O-N 3.42Å; Q40-V44 WeakPolarHBondContact O-CG2 3.43Å; Q40-V44 PolarHBondContact O-N 3.42Å
41E95.1Very high95.4Very high19 Ų1963.6 Ų63.69%0.08931%0.314CS..Hα-helixtrans-55.5-41.1174.3-168.8-166.7145.600111.4I37 Q38 K43 V44 K45 I67 R71I37-E41 PolarHBondContact O-N 3.36Å; Q38-E41 PolarHBondContact O-N 2.93Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.46Å; E41-V44 PolarHBondContact O-N 2.76Å; E41-K45 WeakPolarHBondContact O-CG 3.39Å; E41-K45 PolarHBondContact O-N 3.01Å; E41-K45 WeakPolarHBondContact OE1-CE 3.4Å; E41-K45 IonicContact OE1-NZ 3.1Å; E41-K45 PolarHBondContact OE1-NZ 3.47Å; E41-I67 HydrophobicContact CG-CB 4.44Å; E41-I67 HydrophobicContact CG-CG1 4.1Å; E41-I67 HydrophobicContact CG-CG2 4Å; E41-R71 IonicContact OE1-NE 2.86Å
42A95.5Very high95.2Very high49 Ų4963 Ų6341%0.40532%0.315SS..Hα-helixtrans-61.8-35.9176.100000113.1Q38 R39 Q40 Q46Q38-A42 PolarHBondContact O-N 3.34Å; R39-A42 PolarHBondContact O-N 3.25Å; Q40-A42 VanDerWaalsContact C-N 3.26Å; Q40-A42 PolarHBondContact O-N 3.06Å; A42-Q46 PolarHBondContact O-N 2.86Å
43K96.6Very high94.9Very high126 Ų12660.8 Ų60.855%0.54833%0.326SS..Hα-helixtrans-71.2-41.4174.4-64.2174.7-176.6175.80111.4R39 Q40 E41 K45 Q46 A47R39-K43 PolarHBondContact O-N 3.27Å; Q40-K43 WeakPolarHBondContact O-CA 3.46Å; Q40-K43 WeakPolarHBondContact O-CB 3.42Å; Q40-K43 PolarHBondContact O-N 3.42Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.46Å; K43-K45 VanDerWaalsContact C-N 3.3Å; K43-K45 PolarHBondContact O-N 3.39Å; K43-Q46 WeakPolarHBondContact O-CB 3.33Å; K43-Q46 PolarHBondContact O-N 2.79Å; K43-Q46 VanDerWaalsContact O-N 3.1Å; K43-A47 PolarHBondContact O-N 3.37Å
44V95.8Very high94.8Very high6 Ų666.4 Ų66.44%0.03635%0.345CS..Hα-helixtrans-61.4-40.7175.8178.80000110.5Q40 E41 Q46 A47 I48 L63 I67Q40-V44 WeakPolarHBondContact O-CG2 3.43Å; Q40-V44 PolarHBondContact O-N 3.42Å; E41-V44 PolarHBondContact O-N 2.76Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 2.75Å; V44-A47 WeakPolarHBondContact O-CB 3.37Å; V44-A47 PolarHBondContact O-N 2.95Å; V44-A47 VanDerWaalsContact O-N 3.09Å; V44-I48 HydrophobicContact CG1-CD1 4.36Å; V44-I48 WeakPolarHBondContact O-CG1 3.49Å; V44-I48 PolarHBondContact O-N 3.08Å; V44-L63 HydrophobicContact CG1-CB 3.97Å; V44-L63 HydrophobicContact CG1-CD2 4.15Å; V44-L63 WeakPolarHBondContact CG1-O 3.42Å; V44-I67 HydrophobicContact CB-CG1 4.21Å; V44-I67 HydrophobicContact CG1-CD1 4.06Å; V44-I67 HydrophobicContact CG1-CG1 3.68Å
45K95Very high94.4Very high68 Ų6869 Ų6930%0.29637%0.372SS..Hα-helixtrans-58.1-39.5172.5-74.4175-178165.10112.9E41 K43 K49 I67 V171E41-K45 WeakPolarHBondContact O-CG 3.39Å; E41-K45 PolarHBondContact O-N 3.01Å; E41-K45 WeakPolarHBondContact OE1-CE 3.4Å; E41-K45 IonicContact OE1-NZ 3.1Å; E41-K45 PolarHBondContact OE1-NZ 3.47Å; K43-K45 VanDerWaalsContact C-N 3.3Å; K43-K45 PolarHBondContact O-N 3.39Å; K45-K49 WeakPolarHBondContact O-CG 3.46Å; K45-K49 PolarHBondContact O-N 3.11Å; K45-I67 HydrophobicContact CG-CD1 3.59Å; K45-V171 HydrophobicContact CG-CG2 4.12Å
46Q94.2Very high94.2Very high143 Ų14368.4 Ų68.467%0.66837%0.369SS*.Hα-helixtrans-68.6-39.3174.8-69.6177.8-600111.7A42 K43 V44 K49 A50A42-Q46 PolarHBondContact O-N 2.86Å; K43-Q46 WeakPolarHBondContact O-CB 3.33Å; K43-Q46 PolarHBondContact O-N 2.79Å; K43-Q46 VanDerWaalsContact O-N 3.1Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 2.75Å; Q46-K49 PolarHBondContact O-N 2.92Å; Q46-A50 PolarHBondContact O-N 3.45Å
47A93.9Very high93.8Very high39 Ų3971.1 Ų71.132%0.32238%0.375SS..Hα-helixtrans-62.5-42.5175.300000112K43 V44 K49 A50 S51 L63K43-A47 PolarHBondContact O-N 3.37Å; V44-A47 WeakPolarHBondContact O-CB 3.37Å; V44-A47 PolarHBondContact O-N 2.95Å; V44-A47 VanDerWaalsContact O-N 3.09Å; A47-K49 VanDerWaalsContact C-N 3.31Å; A47-K49 PolarHBondContact O-N 3.34Å; A47-A50 PolarHBondContact O-N 3.37Å; A47-A50 VanDerWaalsContact O-N 3.17Å; A47-S51 PolarHBondContact O-N 3.19Å; A47-L63 HydrophobicContact CB-CD1 3.92Å
48I93.8Very high93.6Very high0 Ų075.1 Ų75.10%040%0.397CS..Hα-helixtrans-57.8-44.7174.3-68.7172.4000110.9V44 A50 S51 A52 C60 L63 A64 I67 L168 V171V44-I48 HydrophobicContact CG1-CD1 4.36Å; V44-I48 WeakPolarHBondContact O-CG1 3.49Å; V44-I48 PolarHBondContact O-N 3.08Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.44Å; I48-S51 PolarHBondContact O-N 3.47Å; I48-A52 VanDerWaalsContact O-CB 3.25Å; I48-A52 WeakPolarHBondContact O-CB 3.48Å; I48-A52 PolarHBondContact O-N 2.96Å; I48-C60 HydrophobicContact CG2-CB 4.38Å; I48-L63 HydrophobicContact CD1-CB 3.94Å; I48-L63 HydrophobicContact CG1-CB 3.43Å; I48-L63 VanDerWaalsContact CG1-CB 3.43Å; I48-L63 HydrophobicContact CG1-CD1 3.99Å; I48-L63 HydrophobicContact CG1-CG 4.37Å; I48-A64 HydrophobicContact CD1-CB 4.28Å; I48-I67 HydrophobicContact CD1-CD1 3.33Å; I48-I67 HydrophobicContact CD1-CG1 4.28Å; I48-L168 HydrophobicContact CG2-CD2 4.34Å; I48-V171 HydrophobicContact CB-CG1 4.03Å; I48-V171 HydrophobicContact CG2-CB 4.24Å; I48-V171 HydrophobicContact CG2-CG1 3.67Å
49K92.4Very high93.3Very high94 Ų9473.4 Ų73.441%0.40940%0.395SS..Hα-helixtrans-62.7-40.9177.7-69.4178.5-179-172.90112.1K45 Q46 A47 A53 V171 T175K45-K49 WeakPolarHBondContact O-CG 3.46Å; K45-K49 PolarHBondContact O-N 3.11Å; Q46-K49 PolarHBondContact O-N 2.92Å; A47-K49 VanDerWaalsContact C-N 3.31Å; A47-K49 PolarHBondContact O-N 3.34Å; K49-A53 PolarHBondContact O-N 3.41Å; K49-A53 VanDerWaalsContact O-N 3.09Å; K49-V171 HydrophobicContact CD-CG1 4.48Å; K49-V171 HydrophobicContact CG-CG1 3.76Å; K49-T175 HydrophobicContact CD-CG2 3.74Å; K49-T175 HydrophobicContact CG-CG2 3.82Å
50A92.8Very high93.1Very high45 Ų4565.9 Ų65.937%0.37237%0.367SS..Hα-helixtrans-66.6-42.5177.700000112.2Q46 A47 I48 A53 R54Q46-A50 PolarHBondContact O-N 3.45Å; A47-A50 PolarHBondContact O-N 3.37Å; A47-A50 VanDerWaalsContact O-N 3.17Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.44Å; A50-A53 PolarHBondContact O-N 2.88Å; A50-R54 WeakPolarHBondContact O-CG 3.44Å; A50-R54 PolarHBondContact O-N 3.12Å
51S92Very high92.9Very high13 Ų1365.9 Ų65.99%0.09137%0.366CS..Hα-helixtrans-68.6-37.2175.6-72.70000112.6A47 I48 A53 R54 G55 E56A47-S51 PolarHBondContact O-N 3.19Å; I48-S51 PolarHBondContact O-N 3.47Å; S51-A53 VanDerWaalsContact C-N 3.33Å; S51-A53 PolarHBondContact O-N 3.17Å; S51-R54 CarbonylContact O-C 3.55Å; S51-R54 PolarHBondContact O-N 2.98Å; S51-G55 PolarHBondContact O-N 3Å; S51-E56 PolarHBondContact O-N 2.9Å; S51-E56 PolarHBondContact OG-OE2 2.87Å
52A91.4Very high92.8Very high28 Ų2869.8 Ų69.823%0.23139%0.39CS..Hα-helixtrans-63.3-40.1175.700000111.6I48 R54 G55 C60 V172I48-A52 VanDerWaalsContact O-CB 3.25Å; I48-A52 WeakPolarHBondContact O-CB 3.48Å; I48-A52 PolarHBondContact O-N 2.96Å; A52-R54 PolarHBondContact O-N 3.24Å; A52-G55 PolarHBondContact O-N 2.79Å; A52-C60 PolarHBondContact N-SG 3.39Å; A52-C60 VanDerWaalsContact N-SG 3.38Å; A52-V172 HydrophobicContact CB-CG2 4.2Å
53A90.7Very high92.7Very high93 Ų9369 Ų6977%0.76938%0.38SS*.Hα-helixtrans-64.4-23.4174.600000113.5K49 A50 S51K49-A53 PolarHBondContact O-N 3.41Å; K49-A53 VanDerWaalsContact O-N 3.09Å; A50-A53 PolarHBondContact O-N 2.88Å; S51-A53 VanDerWaalsContact C-N 3.33Å; S51-A53 PolarHBondContact O-N 3.17Å
54R92.4Very high92.6Very high173 Ų17363 Ų6365%0.65335%0.354SS*.THydrogen-bonded Turntrans-88.6-6.3174.2-64.5173.7-170.3163.62.3113.3A50 S51 A52 E56A50-R54 WeakPolarHBondContact O-CG 3.44Å; A50-R54 PolarHBondContact O-N 3.12Å; S51-R54 CarbonylContact O-C 3.55Å; S51-R54 PolarHBondContact O-N 2.98Å; A52-R54 PolarHBondContact O-N 3.24Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 HydrophobicContact CB-CG 4.03Å
55G88.9Confident92.5Very high54 Ų5466.8 Ų66.856%0.55737%0.369SS*.THydrogen-bonded Turntrans75.913-174.400000114.4S51 A52 M57S51-G55 PolarHBondContact O-N 3Å; A52-G55 PolarHBondContact O-N 2.79Å; G55-M57 VanDerWaalsContact C-N 3.32Å; G55-M57 PolarHBondContact O-N 3.44Å
56E92.3Very high92.4Very high85 Ų8567 Ų6740%0.39737%0.371SS..  trans-81.972.2-179.1-66.1170-176.600111.1S51 R54 D58 A59 C60S51-E56 PolarHBondContact O-N 2.9Å; S51-E56 PolarHBondContact OG-OE2 2.87Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 HydrophobicContact CB-CG 4.03Å; E56-D58 VanDerWaalsContact C-N 3.34Å; E56-D58 PolarHBondContact O-N 3.24Å; E56-A59 HydrophobicContact CB-CB 4.05Å; E56-A59 PolarHBondContact O-N 3.38Å; E56-C60 PolarHBondContact O-N 3.1Å; E56-C60 VanDerWaalsContact O-N 3.16Å; E56-C60 PolarHBondContact O-SG 3.29Å; E56-C60 VanDerWaalsContact O-SG 3.4Å
57M89.9Confident92.4Very high102 Ų10260.1 Ų60.150%0.50234%0.339SS..Hα-helixtrans-64.7-33.5-174.2-65.9-57.7-67.300113.9G55 C60 K61G55-M57 VanDerWaalsContact C-N 3.32Å; G55-M57 PolarHBondContact O-N 3.44Å; M57-C60 WeakPolarHBondContact O-CB 3.45Å; M57-C60 PolarHBondContact O-N 2.96Å; M57-K61 WeakPolarHBondContact O-CG 3.46Å; M57-K61 PolarHBondContact O-N 3.48Å
58D91.6Very high92.4Very high123 Ų12358.5 Ų58.566%0.65833%0.325SS*.Hα-helixtrans-66.5-38.9177.7-65.3-32.8000111.8E56 C60 K61 V62E56-D58 VanDerWaalsContact C-N 3.34Å; E56-D58 PolarHBondContact O-N 3.24Å; D58-C60 VanDerWaalsContact C-N 3.35Å; D58-K61 PolarHBondContact O-N 3.13Å; D58-V62 PolarHBondContact O-N 2.81Å
59A92Very high92.3Very high35 Ų3564.2 Ų64.229%0.28935%0.352SS..Hα-helixtrans-64.2-41.4173.600000111.1E56 K61 V62 L63E56-A59 HydrophobicContact CB-CB 4.05Å; E56-A59 PolarHBondContact O-N 3.38Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 2.79Å; A59-V62 PolarHBondContact O-N 3Å; A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.38Å; A59-L63 PolarHBondContact O-N 3.27Å
60C92.3Very high92.4Very high1 Ų160.6 Ų60.61%0.00734%0.338CS..Hα-helixtrans-58.4-44.3174.4-65.60000111.7I48 A52 E56 M57 D58 V62 L63 A64 L168I48-C60 HydrophobicContact CG2-CB 4.38Å; A52-C60 PolarHBondContact N-SG 3.39Å; A52-C60 VanDerWaalsContact N-SG 3.38Å; E56-C60 PolarHBondContact O-N 3.1Å; E56-C60 VanDerWaalsContact O-N 3.16Å; E56-C60 PolarHBondContact O-SG 3.29Å; E56-C60 VanDerWaalsContact O-SG 3.4Å; M57-C60 WeakPolarHBondContact O-CB 3.45Å; M57-C60 PolarHBondContact O-N 2.96Å; D58-C60 VanDerWaalsContact C-N 3.35Å; C60-V62 PolarHBondContact O-N 3.32Å; C60-L63 PolarHBondContact O-N 2.98Å; C60-A64 VanDerWaalsContact O-CB 3.28Å; C60-A64 WeakPolarHBondContact O-CB 3.43Å; C60-A64 PolarHBondContact O-N 2.86Å; C60-L168 HydrophobicContact CB-CD2 3.67Å; C60-L168 WeakPolarHBondContact O-CD2 3.28Å
61K92.3Very high92.5Very high88 Ų8862.7 Ų62.738%0.38334%0.337SS..Hα-helixtrans-60.4-44.6178.4-72.2173.7-179.2176.60112.4M57 D58 A59 A64 K65 L168M57-K61 WeakPolarHBondContact O-CG 3.46Å; M57-K61 PolarHBondContact O-N 3.48Å; D58-K61 PolarHBondContact O-N 3.13Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 2.79Å; K61-A64 PolarHBondContact O-N 3.29Å; K61-K65 WeakPolarHBondContact O-CG 3.46Å; K61-K65 PolarHBondContact O-N 3.34Å; K61-L168 HydrophobicContact CG-CD1 3.88Å
62V93.1Very high92.5Very high100 Ų10064.6 Ų64.661%0.60634%0.343SS*.Hα-helixtrans-63.7-45.5178175.60000111.1D58 A59 C60 A64 K65 E66D58-V62 PolarHBondContact O-N 2.81Å; A59-V62 PolarHBondContact O-N 3Å; C60-V62 PolarHBondContact O-N 3.32Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 2.85Å; V62-K65 WeakPolarHBondContact O-CB 3.06Å; V62-K65 PolarHBondContact O-N 2.92Å; V62-E66 PolarHBondContact O-N 3.45Å; V62-E66 VanDerWaalsContact O-N 3.17Å
63L93.7Very high92.5Very high34 Ų3464 Ų6418%0.17834%0.339CS..Hα-helixtrans-66.8-34.3177.8-67.6172.9000112.3V44 A47 I48 A59 C60 E66 I67V44-L63 HydrophobicContact CG1-CB 3.97Å; V44-L63 HydrophobicContact CG1-CD2 4.15Å; V44-L63 WeakPolarHBondContact CG1-O 3.42Å; A47-L63 HydrophobicContact CB-CD1 3.92Å; I48-L63 HydrophobicContact CD1-CB 3.94Å; I48-L63 HydrophobicContact CG1-CB 3.43Å; I48-L63 VanDerWaalsContact CG1-CB 3.43Å; I48-L63 HydrophobicContact CG1-CD1 3.99Å; I48-L63 HydrophobicContact CG1-CG 4.37Å; A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.38Å; A59-L63 PolarHBondContact O-N 3.27Å; C60-L63 PolarHBondContact O-N 2.98Å; L63-E66 WeakPolarHBondContact O-CB 3.3Å; L63-E66 PolarHBondContact O-N 3.26Å; L63-I67 PolarHBondContact O-N 3.45Å; L63-I67 VanDerWaalsContact O-N 3.12Å
64A93.3Very high92.7Very high0 Ų060.2 Ų60.20%031%0.306CS..Hα-helixtrans-67.4-38.5174.800000111.9I48 C60 K61 V62 E66 I67 V68 V164 V167 L168I48-A64 HydrophobicContact CD1-CB 4.28Å; C60-A64 VanDerWaalsContact O-CB 3.28Å; C60-A64 WeakPolarHBondContact O-CB 3.43Å; C60-A64 PolarHBondContact O-N 2.86Å; K61-A64 PolarHBondContact O-N 3.29Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 2.85Å; A64-E66 VanDerWaalsContact C-N 3.29Å; A64-E66 PolarHBondContact O-N 2.93Å; A64-I67 WeakPolarHBondContact O-CB 3.39Å; A64-I67 PolarHBondContact O-N 2.99Å; A64-I67 VanDerWaalsContact O-N 3.12Å; A64-V68 PolarHBondContact O-N 3.38Å; A64-V164 HydrophobicContact CB-CG1 3.87Å; A64-V167 HydrophobicContact CB-CG1 4.07Å; A64-L168 HydrophobicContact CB-CD1 4.35Å; A64-L168 HydrophobicContact CB-CD2 3.64Å; A64-L168 HydrophobicContact CB-CG 3.61Å
65K93.8Very high92.8Very high85 Ų8554.5 Ų54.537%0.3730%0.296SS..Hα-helixtrans-56.7-42.5169.9-74.7177.6-179.8-165.90111.8K61 V62 I67 V68 Q69 V164K61-K65 WeakPolarHBondContact O-CG 3.46Å; K61-K65 PolarHBondContact O-N 3.34Å; V62-K65 WeakPolarHBondContact O-CB 3.06Å; V62-K65 PolarHBondContact O-N 2.92Å; K65-I67 VanDerWaalsContact C-N 3.32Å; K65-I67 PolarHBondContact O-N 3.29Å; K65-V68 PolarHBondContact O-N 2.95Å; K65-Q69 WeakPolarHBondContact O-CG 3.47Å; K65-Q69 PolarHBondContact O-N 2.7Å; K65-V164 HydrophobicContact CB-CG2 4.28Å; K65-V164 HydrophobicContact CG-CB 4.5Å; K65-V164 HydrophobicContact CG-CG1 4.2Å; K65-V164 HydrophobicContact CG-CG2 3.46Å; K65-V164 VanDerWaalsContact CG-CG2 3.46Å
66E92.8Very high92.9Very high71 Ų7154.7 Ų54.733%0.33228%0.279SS..Hα-helixtrans-61.7-38.2175.5-171.4-176168.300112.3V62 L63 A64 S70V62-E66 PolarHBondContact O-N 3.45Å; V62-E66 VanDerWaalsContact O-N 3.17Å; L63-E66 WeakPolarHBondContact O-CB 3.3Å; L63-E66 PolarHBondContact O-N 3.26Å; A64-E66 VanDerWaalsContact C-N 3.29Å; A64-E66 PolarHBondContact O-N 2.93Å; E66-S70 WeakPolarHBondContact O-CB 3.06Å; E66-S70 PolarHBondContact O-N 3.08Å; E66-S70 PolarHBondContact O-OG 3.06Å
67I94.8Very high93Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-64-46.1174.3-68.2179.1000111.1E41 V44 K45 I48 L63 A64 K65 Q69 S70 R71 V167E41-I67 HydrophobicContact CG-CB 4.44Å; E41-I67 HydrophobicContact CG-CG1 4.1Å; E41-I67 HydrophobicContact CG-CG2 4Å; V44-I67 HydrophobicContact CB-CG1 4.21Å; V44-I67 HydrophobicContact CG1-CD1 4.06Å; V44-I67 HydrophobicContact CG1-CG1 3.68Å; K45-I67 HydrophobicContact CG-CD1 3.59Å; I48-I67 HydrophobicContact CD1-CD1 3.33Å; I48-I67 HydrophobicContact CD1-CG1 4.28Å; L63-I67 PolarHBondContact O-N 3.45Å; L63-I67 VanDerWaalsContact O-N 3.12Å; A64-I67 WeakPolarHBondContact O-CB 3.39Å; A64-I67 PolarHBondContact O-N 2.99Å; A64-I67 VanDerWaalsContact O-N 3.12Å; K65-I67 VanDerWaalsContact C-N 3.32Å; K65-I67 PolarHBondContact O-N 3.29Å; I67-Q69 VanDerWaalsContact C-N 3.34Å; I67-Q69 PolarHBondContact O-N 3.42Å; I67-S70 WeakPolarHBondContact O-CB 3.25Å; I67-S70 PolarHBondContact O-N 2.8Å; I67-R71 HydrophobicContact CG2-CG 4.41Å; I67-R71 WeakPolarHBondContact O-CG 3.49Å; I67-R71 PolarHBondContact O-N 3.02Å; I67-V167 HydrophobicContact CB-CG1 3.97Å; I67-V167 HydrophobicContact CD1-CG1 3.91Å; I67-V167 HydrophobicContact CG2-CG1 3.74Å; I67-V167 HydrophobicContact CG2-CG2 4.18Å
68V93.7Very high93.3Very high4 Ų451.6 Ų51.62%0.02426%0.26CS..Hα-helixtrans-61.1-45.4179.4175.80000110.7A64 K65 S70 R71 K72 L160 E163 V164 V167A64-V68 PolarHBondContact O-N 3.38Å; K65-V68 PolarHBondContact O-N 2.95Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.07Å; V68-R71 PolarHBondContact O-N 3.49Å; V68-K72 HydrophobicContact CG1-CD 4.3Å; V68-K72 WeakPolarHBondContact O-CG 3.41Å; V68-K72 PolarHBondContact O-N 3.31Å; V68-L160 HydrophobicContact CB-CD1 4.23Å; V68-L160 HydrophobicContact CG1-CD1 3.54Å; V68-E163 HydrophobicContact CG1-CB 4.01Å; V68-E163 WeakPolarHBondContact CG1-OE2 3.42Å; V68-E163 HydrophobicContact CG2-CB 3.98Å; V68-V164 HydrophobicContact CG2-CG2 3.95Å; V68-V167 HydrophobicContact CG2-CG2 3.85Å
69Q92.1Very high93.3Very high120 Ų12050.6 Ų50.656%0.56125%0.251SS*.Hα-helixtrans-61.1-39.9174.8-70.5177.4-3.800112.2K65 I67 K72 A73K65-Q69 WeakPolarHBondContact O-CG 3.47Å; K65-Q69 PolarHBondContact O-N 2.7Å; I67-Q69 VanDerWaalsContact C-N 3.34Å; I67-Q69 PolarHBondContact O-N 3.42Å; Q69-K72 PolarHBondContact O-N 3.19Å; Q69-A73 WeakPolarHBondContact O-CB 3.35Å; Q69-A73 PolarHBondContact O-N 2.9Å
70S94.3Very high93.4Very high18 Ų1848.9 Ų48.913%0.12624%0.237CC..Hα-helixtrans-62.4-43.8175.5-64.20000111.9E66 I67 V68 A73 V74E66-S70 WeakPolarHBondContact O-CB 3.06Å; E66-S70 PolarHBondContact O-N 3.08Å; E66-S70 PolarHBondContact O-OG 3.06Å; I67-S70 WeakPolarHBondContact O-CB 3.25Å; I67-S70 PolarHBondContact O-N 2.8Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.07Å; S70-A73 PolarHBondContact O-N 3.13Å; S70-V74 WeakPolarHBondContact O-CG2 3.35Å; S70-V74 PolarHBondContact O-N 3.38Å
71R94.6Very high93.4Very high89 Ų8952 Ų5234%0.33625%0.25SS..Hα-helixtrans-61.9-43.9175.3-71176.5178.6-172.41.1111.4E41 I67 V68 V74 A75 E170E41-R71 IonicContact OE1-NE 2.86Å; I67-R71 HydrophobicContact CG2-CG 4.41Å; I67-R71 WeakPolarHBondContact O-CG 3.49Å; I67-R71 PolarHBondContact O-N 3.02Å; V68-R71 PolarHBondContact O-N 3.49Å; R71-V74 PolarHBondContact O-N 2.93Å; R71-A75 PolarHBondContact O-N 3.02Å; R71-E170 IonicContact CZ-OE2 2.68Å; R71-E170 IonicContact NH1-OE2 3.32Å; R71-E170 PolarHBondContact NH1-OE2 3.49Å; R71-E170 IonicContact NH2-OE2 3.01Å; R71-E170 PolarHBondContact NH2-OE2 3.43Å
72K92.2Very high93.5Very high54 Ų5450.5 Ų50.524%0.23526%0.255CS..Hα-helixtrans-62.2-41.6174.8-71.8179.6-179.8173.80112V68 Q69 A75 R76 V155 E163V68-K72 HydrophobicContact CG1-CD 4.3Å; V68-K72 WeakPolarHBondContact O-CG 3.41Å; V68-K72 PolarHBondContact O-N 3.31Å; Q69-K72 PolarHBondContact O-N 3.19Å; K72-A75 PolarHBondContact O-N 3.39Å; K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 3.46Å; K72-V155 VanDerWaalsContact NZ-CG1 3.33Å; K72-E163 WeakPolarHBondContact CE-OE2 3.19Å; K72-E163 IonicContact NZ-OE2 2.75Å; K72-E163 PolarHBondContact NZ-OE2 3.13Å
73A92Very high93.4Very high16 Ų1648.1 Ų48.113%0.13224%0.237CC..Hα-helixtrans-61.8-44.4174.800000112I37 Q69 S70 R76 M77I37-A73 HydrophobicContact CD1-CB 4.21Å; Q69-A73 WeakPolarHBondContact O-CB 3.35Å; Q69-A73 PolarHBondContact O-N 2.9Å; S70-A73 PolarHBondContact O-N 3.13Å; A73-R76 PolarHBondContact O-N 2.88Å; A73-M77 WeakPolarHBondContact O-CG 3.33Å; A73-M77 PolarHBondContact O-N 3.45Å
74V95.2Very high93.4Very high13 Ų1346.6 Ų46.68%0.07923%0.229CC..Hα-helixtrans-63.1-43.1176169.60000111.7I34 I37 Q38 S70 R71 R76 M77 Y78I34-V74 HydrophobicContact CG2-CG1 4.07Å; I37-V74 HydrophobicContact CB-CG2 4.12Å; I37-V74 HydrophobicContact CG2-CG2 3.74Å; Q38-V74 HydrophobicContact CG-CG2 4.41Å; S70-V74 WeakPolarHBondContact O-CG2 3.35Å; S70-V74 PolarHBondContact O-N 3.38Å; R71-V74 PolarHBondContact O-N 2.93Å; V74-R76 PolarHBondContact O-N 2.96Å; V74-M77 WeakPolarHBondContact O-CB 3.3Å; V74-M77 PolarHBondContact O-N 3.43Å; V74-Y78 HydrophobicContact CG1-CD2 3.8Å; V74-Y78 HydrophobicContact CG1-CE2 3.43Å; V74-Y78 VanDerWaalsContact CG1-CE2 3.43Å; V74-Y78 VanDerWaalsContact O-CD2 3.23Å; V74-Y78 WeakPolarHBondContact O-CD2 3.48Å; V74-Y78 PolarHBondContact O-N 3.34Å
75A93.8Very high93.3Very high53 Ų5349.7 Ų49.744%0.43825%0.251SS..Hα-helixtrans-59.3-46.317600000111.8R71 K72 M77 Y78 Q79R71-A75 PolarHBondContact O-N 3.02Å; K72-A75 PolarHBondContact O-N 3.39Å; A75-M77 VanDerWaalsContact C-N 3.35Å; A75-M77 PolarHBondContact O-N 3.26Å; A75-Y78 PolarHBondContact O-N 3.09Å; A75-Q79 PolarHBondContact O-N 3.37Å; A75-Q79 VanDerWaalsContact O-N 3.11Å
76R92.1Very high93.2Very high57 Ų5747 Ų4722%0.21524%0.243CC..Hα-helixtrans-60.2-42.2174-72-172.4-60.8158.62.7112.2K72 A73 V74 Y78 Q79 T80K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 3.46Å; A73-R76 PolarHBondContact O-N 2.88Å; V74-R76 PolarHBondContact O-N 2.96Å; R76-Y78 VanDerWaalsContact C-N 3.3Å; R76-Y78 PolarHBondContact O-N 3.36Å; R76-Q79 WeakPolarHBondContact O-CA 3.32Å; R76-Q79 WeakPolarHBondContact O-CB 3.18Å; R76-Q79 PolarHBondContact O-N 3.48Å; R76-Q79 VanDerWaalsContact O-N 3.09Å; R76-T80 PolarHBondContact O-N 3.11Å; R76-T80 PolarHBondContact O-OG1 3.18Å
77M94.1Very high93.1Very high8 Ų843.7 Ų43.74%0.03923%0.227CC..Hα-helixtrans-61.9-35175.9-75.1179.2175.500113.1I30 Q33 I34 I37 A73 V74 A75 T80 K81 E122I30-M77 HydrophobicContact CG2-CB 3.76Å; I30-M77 HydrophobicContact CG2-CG 4.19Å; I30-M77 WeakPolarHBondContact CG2-O 3.16Å; Q33-M77 HydrophobicContact CB-CE 3.68Å; Q33-M77 HydrophobicContact CB-SD 3.91Å; I34-M77 HydrophobicContact CD1-CB 3.85Å; I34-M77 HydrophobicContact CG1-CB 3.59Å; I34-M77 HydrophobicContact CG1-CG 4.26Å; I34-M77 HydrophobicContact CG1-SD 3.67Å; I37-M77 HydrophobicContact CD1-CE 3.48Å; I37-M77 VanDerWaalsContact CD1-CE 3.48Å; I37-M77 HydrophobicContact CD1-SD 3.73Å; A73-M77 WeakPolarHBondContact O-CG 3.33Å; A73-M77 PolarHBondContact O-N 3.45Å; V74-M77 WeakPolarHBondContact O-CB 3.3Å; V74-M77 PolarHBondContact O-N 3.43Å; A75-M77 VanDerWaalsContact C-N 3.35Å; A75-M77 PolarHBondContact O-N 3.26Å; M77-T80 WeakPolarHBondContact O-CB 3.3Å; M77-T80 PolarHBondContact O-N 3.43Å; M77-K81 PolarHBondContact O-N 2.93Å; M77-E122 HydrophobicContact CE-CG 3.81Å
78Y95.1Very high92.8Very high115 Ų11543.9 Ų43.945%0.45123%0.229SC..Hα-helixtrans-67.4-37.7172-77.2-62.1000112.4I34 V74 A75 R76 K81 A82I34-Y78 HydrophobicContact CD1-CD1 4.06Å; I34-Y78 HydrophobicContact CD1-CE1 3.89Å; I34-Y78 HydrophobicContact CD1-CE2 4.42Å; I34-Y78 HydrophobicContact CD1-CG 4.38Å; I34-Y78 HydrophobicContact CG2-CE2 4.49Å; V74-Y78 HydrophobicContact CG1-CD2 3.8Å; V74-Y78 HydrophobicContact CG1-CE2 3.43Å; V74-Y78 VanDerWaalsContact CG1-CE2 3.43Å; V74-Y78 VanDerWaalsContact O-CD2 3.23Å; V74-Y78 WeakPolarHBondContact O-CD2 3.48Å; V74-Y78 PolarHBondContact O-N 3.34Å; A75-Y78 PolarHBondContact O-N 3.09Å; R76-Y78 VanDerWaalsContact C-N 3.3Å; R76-Y78 PolarHBondContact O-N 3.36Å; Y78-K81 WeakPolarHBondContact O-CB 3.33Å; Y78-K81 PolarHBondContact O-N 3.38Å; Y78-A82 PolarHBondContact O-N 3.18Å
79Q92.7Very high92.6Very high101 Ų10148.4 Ų48.447%0.47225%0.252SS..Hα-helixtrans-61.9-45.7171.6-65.3170.9-33.100110.9A75 R76 K81 A82 H83A75-Q79 PolarHBondContact O-N 3.37Å; A75-Q79 VanDerWaalsContact O-N 3.11Å; R76-Q79 WeakPolarHBondContact O-CA 3.32Å; R76-Q79 WeakPolarHBondContact O-CB 3.18Å; R76-Q79 PolarHBondContact O-N 3.48Å; R76-Q79 VanDerWaalsContact O-N 3.09Å; Q79-K81 VanDerWaalsContact C-N 3.27Å; Q79-K81 PolarHBondContact O-N 3.14Å; Q79-A82 WeakPolarHBondContact O-CA 3.46Å; Q79-A82 WeakPolarHBondContact O-CB 3.44Å; Q79-A82 PolarHBondContact O-N 3.32Å; Q79-H83 PolarHBondContact O-CD2 3.07Å; Q79-H83 PolarHBondContact O-N 3.47Å
80T92.6Very high92.4Very high0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-52.3-46.1173.1-51.80000111.3I30 R76 M77 A82 H83 I84 L117 L120I30-T80 HydrophobicContact CD1-CG2 4.14Å; I30-T80 HydrophobicContact CG1-CG2 4.15Å; R76-T80 PolarHBondContact O-N 3.11Å; R76-T80 PolarHBondContact O-OG1 3.18Å; M77-T80 WeakPolarHBondContact O-CB 3.3Å; M77-T80 PolarHBondContact O-N 3.43Å; T80-A82 VanDerWaalsContact C-N 3.34Å; T80-A82 PolarHBondContact O-N 3.4Å; T80-H83 PolarHBondContact O-N 2.88Å; T80-I84 HydrophobicContact CG2-CD1 4.16Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.47Å; T80-I84 PolarHBondContact O-N 3.37Å; T80-L117 HydrophobicContact CG2-CD2 3.48Å; T80-L117 VanDerWaalsContact CG2-CD2 3.48Å; T80-L120 HydrophobicContact CG2-CD1 3.64Å; T80-L120 WeakPolarHBondContact OG1-CD1 3.42Å
81K93.7Very high91.9Very high65 Ų6542.8 Ų42.828%0.28322%0.223SC..Hα-helixtrans-63.7-38.2177.6-173.7174.9-177.8168.10112.5D31 M77 Y78 Q79 I84 S85D31-K81 VanDerWaalsContact CG-NZ 3.27Å; D31-K81 IonicContact OD1-NZ 3.62Å; D31-K81 PolarHBondContact OD1-NZ 3.01Å; D31-K81 IonicContact OD2-NZ 3.6Å; D31-K81 PolarHBondContact OD2-NZ 2.85Å; M77-K81 PolarHBondContact O-N 2.93Å; Y78-K81 WeakPolarHBondContact O-CB 3.33Å; Y78-K81 PolarHBondContact O-N 3.38Å; Q79-K81 VanDerWaalsContact C-N 3.27Å; Q79-K81 PolarHBondContact O-N 3.14Å; K81-I84 PolarHBondContact O-N 3.09Å; K81-S85 WeakPolarHBondContact O-CB 3.35Å; K81-S85 PolarHBondContact O-N 3.1Å; K81-S85 PolarHBondContact O-OG 3.21Å
82A93Very high91.5Very high58 Ų5844.2 Ų44.248%0.47923%0.232SC..Hα-helixtrans-63.1-45.2175.200000111.5Y78 Q79 T80 S85 S86Y78-A82 PolarHBondContact O-N 3.18Å; Q79-A82 WeakPolarHBondContact O-CA 3.46Å; Q79-A82 WeakPolarHBondContact O-CB 3.44Å; Q79-A82 PolarHBondContact O-N 3.32Å; T80-A82 VanDerWaalsContact C-N 3.34Å; T80-A82 PolarHBondContact O-N 3.4Å; A82-S85 WeakPolarHBondContact O-CB 3.25Å; A82-S85 PolarHBondContact O-N 3.48Å; A82-S85 VanDerWaalsContact O-N 3.12Å; A82-S86 PolarHBondContact O-N 3.15Å
83H92.4Very high91.1Very high50 Ų5046 Ų4623%0.23124%0.244CC..Hα-helixtrans-61.9-44175.3-70.8-64.7000112.6Q79 T80 S85 S86 I87 S113 Y116 L117Q79-H83 PolarHBondContact O-CD2 3.07Å; Q79-H83 PolarHBondContact O-N 3.47Å; T80-H83 PolarHBondContact O-N 2.88Å; H83-S85 PolarHBondContact O-N 2.98Å; H83-S86 PolarHBondContact O-N 3.19Å; H83-I87 WeakPolarHBondContact O-CG1 3.49Å; H83-I87 PolarHBondContact O-N 3.25Å; H83-S113 WeakPolarHBondContact ND1-CB 3.45Å; H83-S113 PolarHBondContact ND1-OG 3.37Å; H83-Y116 HydrophobicContact CB-CD1 4.48Å; H83-Y116 AromaticContact CD2-CD1 3.15Å; H83-Y116 WeakPolarHBondContact CD2-CD1 3.31Å; H83-Y116 AromaticContact CD2-CE1 3.35Å; H83-Y116 WeakPolarHBondContact CD2-CE1 3.48Å; H83-Y116 AromaticContact CD2-CG 3.96Å; H83-Y116 AromaticContact CG-CD1 3.83Å; H83-Y116 AromaticContact NE2-CD1 3.51Å; H83-Y116 AromaticContact NE2-CE1 3.68Å; H83-Y116 AromaticContact NE2-CG 3.9Å; H83-L117 HydrophobicContact CB-CD1 4.17Å; H83-L117 HydrophobicContact CB-CD2 3.84Å; H83-L117 HydrophobicContact CB-CG 3.86Å
84I92.9Very high90.5Very high1 Ų145.6 Ų45.61%0.00524%0.239CC..Hα-helixtrans-57-39.4173.1-74175.5000111.1M23 E26 A27 I30 T80 K81 S88 L117 M127M23-I84 HydrophobicContact CG-CB 4.48Å; M23-I84 HydrophobicContact CG-CG2 3.68Å; M23-I84 WeakPolarHBondContact O-CG2 3.47Å; M23-I84 HydrophobicContact SD-CB 3.97Å; M23-I84 HydrophobicContact SD-CG1 3.8Å; M23-I84 HydrophobicContact SD-CG2 3.68Å; E26-I84 HydrophobicContact CB-CD1 4.37Å; A27-I84 HydrophobicContact CB-CG2 3.74Å; I30-I84 HydrophobicContact CG1-CD1 4.27Å; T80-I84 HydrophobicContact CG2-CD1 4.16Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.47Å; T80-I84 PolarHBondContact O-N 3.37Å; K81-I84 PolarHBondContact O-N 3.09Å; I84-S88 VanDerWaalsContact O-CB 3.31Å; I84-S88 WeakPolarHBondContact O-CB 3.44Å; I84-S88 PolarHBondContact O-N 3Å; I84-S88 PolarHBondContact O-OG 3.4Å; I84-L117 HydrophobicContact CB-CD1 4.46Å; I84-L117 HydrophobicContact CD1-CD2 4.49Å; I84-L117 HydrophobicContact CG1-CD1 3.62Å; I84-L117 HydrophobicContact CG1-CD2 3.88Å; I84-L117 HydrophobicContact CG1-CG 4.43Å; I84-M127 HydrophobicContact CD1-CE 3.82Å; I84-M127 HydrophobicContact CG1-CE 3.85Å
85S92.4Very high89.7Confident66 Ų6645.6 Ų45.646%0.46224%0.241SC..Hα-helixtrans-71.5-40.7-179.8-57.70000111.9K81 A82 H83 S88 L89K81-S85 WeakPolarHBondContact O-CB 3.35Å; K81-S85 PolarHBondContact O-N 3.1Å; K81-S85 PolarHBondContact O-OG 3.21Å; A82-S85 WeakPolarHBondContact O-CB 3.25Å; A82-S85 PolarHBondContact O-N 3.48Å; A82-S85 VanDerWaalsContact O-N 3.12Å; H83-S85 PolarHBondContact O-N 2.98Å; S85-S88 PolarHBondContact O-N 3.05Å; S85-L89 WeakPolarHBondContact O-CB 3.15Å; S85-L89 PolarHBondContact O-N 3.37Å
86S91.1Very high89Confident28 Ų2847.4 Ų47.420%0.19625%0.25CS..Hα-helixtrans-58.9-47.9173.5-179.70000111.1A82 H83 S88 L89 Y90A82-S86 PolarHBondContact O-N 3.15Å; H83-S86 PolarHBondContact O-N 3.19Å; S86-S88 PolarHBondContact O-N 3.04Å; S86-L89 WeakPolarHBondContact O-CB 3.26Å; S86-L89 PolarHBondContact O-N 3.15Å; S86-Y90 PolarHBondContact O-N 3.43Å
87I89.3Confident88.2Confident1 Ų145.9 Ų45.91%0.00525%0.249CC..Hα-helixtrans-65.8-42.8177.2-60.2167.5000110.9M23 H83 L89 Y90 M91 M114 L117 M134M23-I87 HydrophobicContact CE-CB 4.24Å; M23-I87 HydrophobicContact CE-CD1 4.24Å; M23-I87 HydrophobicContact CE-CG2 3.76Å; H83-I87 WeakPolarHBondContact O-CG1 3.49Å; H83-I87 PolarHBondContact O-N 3.25Å; I87-L89 PolarHBondContact O-N 2.95Å; I87-Y90 WeakPolarHBondContact O-CB 3.49Å; I87-Y90 PolarHBondContact O-N 2.88Å; I87-Y90 VanDerWaalsContact O-N 3.16Å; I87-M91 HydrophobicContact CG2-CG 4.16Å; I87-M91 HydrophobicContact CG2-SD 4.06Å; I87-M91 WeakPolarHBondContact O-CB 3.42Å; I87-M91 WeakPolarHBondContact O-CG 3.35Å; I87-M91 PolarHBondContact O-N 3.48Å; I87-M114 HydrophobicContact CD1-CB 3.81Å; I87-M114 HydrophobicContact CD1-CG 4.35Å; I87-M114 HydrophobicContact CD1-SD 3.61Å; I87-L117 HydrophobicContact CD1-CD1 3.39Å; I87-L117 HydrophobicContact CD1-CG 4.43Å; I87-M134 HydrophobicContact CG2-CE 3.8Å; I87-M134 HydrophobicContact CG2-SD 4.44Å
88S90.3Very high86.6Confident5 Ų550 Ų504%0.03528%0.284CS..Hα-helixtrans-59.2-36.5176.2-64.40000112.4M23 I84 S85 S86 K92M23-S88 WeakPolarHBondContact CG-OG 3.44Å; I84-S88 VanDerWaalsContact O-CB 3.31Å; I84-S88 WeakPolarHBondContact O-CB 3.44Å; I84-S88 PolarHBondContact O-N 3Å; I84-S88 PolarHBondContact O-OG 3.4Å; S85-S88 PolarHBondContact O-N 3.05Å; S86-S88 PolarHBondContact O-N 3.04Å; S88-K92 VanDerWaalsContact O-CG 3.25Å; S88-K92 WeakPolarHBondContact O-CG 3.37Å; S88-K92 PolarHBondContact O-N 3.42Å
89L89Confident85Confident99 Ų9948 Ų4852%0.51828%0.283SS..Hα-helixtrans-68.3-47.3174.4-179.963.1000111.2S85 S86 I87 M91 K92 N93S85-L89 WeakPolarHBondContact O-CB 3.15Å; S85-L89 PolarHBondContact O-N 3.37Å; S86-L89 WeakPolarHBondContact O-CB 3.26Å; S86-L89 PolarHBondContact O-N 3.15Å; I87-L89 PolarHBondContact O-N 2.95Å; L89-M91 VanDerWaalsContact C-N 3.29Å; L89-M91 PolarHBondContact O-N 2.9Å; L89-K92 PolarHBondContact O-N 3.1Å; L89-K92 VanDerWaalsContact O-N 3.15Å; L89-N93 PolarHBondContact O-N 3.43Å
90Y87.4Confident83.2Confident19 Ų1944.7 Ų44.78%0.07527%0.269CS..Hα-helixtrans-53.7-47.6175.5176.1-112.2000111.7S86 I87 K92 N93 Q94 A110 I139S86-Y90 PolarHBondContact O-N 3.43Å; I87-Y90 WeakPolarHBondContact O-CB 3.49Å; I87-Y90 PolarHBondContact O-N 2.88Å; I87-Y90 VanDerWaalsContact O-N 3.16Å; Y90-K92 PolarHBondContact O-N 3.48Å; Y90-N93 WeakPolarHBondContact O-CB 3.23Å; Y90-N93 PolarHBondContact O-N 3.34Å; Y90-Q94 PolarHBondContact O-N 3Å; Y90-A110 HydrophobicContact CD1-CB 3.72Å; Y90-A110 HydrophobicContact CD2-CB 4.07Å; Y90-A110 HydrophobicContact CE1-CB 4.32Å; Y90-A110 HydrophobicContact CG-CB 3.57Å; Y90-I139 HydrophobicContact CE1-CG2 3.83Å; Y90-I139 PolarHBondContact OH-O 3.02Å
91M85.1Confident81.5Confident1 Ų150.9 Ų50.91%0.00531%0.306CS..Hα-helixtrans-64.8-39.2178-67.3-174.774.900113.3V16 L19 C20 I87 L89 N93 Q94 A95 M134V16-M91 HydrophobicContact CG1-CB 4Å; V16-M91 HydrophobicContact CG1-CE 4.05Å; V16-M91 WeakPolarHBondContact CG1-O 3.31Å; V16-M91 WeakPolarHBondContact O-CE 3.38Å; L19-M91 HydrophobicContact CB-CE 3.06Å; L19-M91 HydrophobicContact CB-SD 4.27Å; L19-M91 HydrophobicContact CD1-CE 3.73Å; L19-M91 HydrophobicContact CG-CE 4.05Å; C20-M91 WeakPolarHBondContact SG-CB 3.35Å; I87-M91 HydrophobicContact CG2-CG 4.16Å; I87-M91 HydrophobicContact CG2-SD 4.06Å; I87-M91 WeakPolarHBondContact O-CB 3.42Å; I87-M91 WeakPolarHBondContact O-CG 3.35Å; I87-M91 PolarHBondContact O-N 3.48Å; L89-M91 VanDerWaalsContact C-N 3.29Å; L89-M91 PolarHBondContact O-N 2.9Å; M91-N93 VanDerWaalsContact C-N 3.33Å; M91-N93 PolarHBondContact O-N 3.29Å; M91-Q94 PolarHBondContact O-N 3.09Å; M91-A95 PolarHBondContact O-N 2.98Å; M91-M134 HydrophobicContact CE-CE 3.86Å; M91-M134 HydrophobicContact CG-CE 3.44Å; M91-M134 VanDerWaalsContact CG-CE 3.44Å; M91-M134 HydrophobicContact SD-CE 3.38Å; M91-M134 WeakPolarHBondContact SD-CE 3.18Å
92K85.8Confident79.5Confident118 Ų11854.5 Ų54.551%0.51333%0.329SS..Hα-helixtrans-62.6-41.1174.1-75.8172.1-169.6174.80111.7S88 L89 Y90 Q94 A95 S96S88-K92 VanDerWaalsContact O-CG 3.25Å; S88-K92 WeakPolarHBondContact O-CG 3.37Å; S88-K92 PolarHBondContact O-N 3.42Å; L89-K92 PolarHBondContact O-N 3.1Å; L89-K92 VanDerWaalsContact O-N 3.15Å; Y90-K92 PolarHBondContact O-N 3.48Å; K92-Q94 VanDerWaalsContact C-N 3.32Å; K92-A95 PolarHBondContact O-N 3.41Å; K92-S96 PolarHBondContact O-N 2.94Å; K92-S96 PolarHBondContact O-OG 2.97Å
93N83.9Confident77.6Confident93 Ų9353.4 Ų53.450%0.49732%0.317SS..Hα-helixtrans-64.2-39.1175.2-67.1-14.5000111.2L89 Y90 M91 A95 S96 S97L89-N93 PolarHBondContact O-N 3.43Å; Y90-N93 WeakPolarHBondContact O-CB 3.23Å; Y90-N93 PolarHBondContact O-N 3.34Å; M91-N93 VanDerWaalsContact C-N 3.33Å; M91-N93 PolarHBondContact O-N 3.29Å; N93-A95 VanDerWaalsContact C-N 3.33Å; N93-A95 PolarHBondContact O-N 2.87Å; N93-S96 PolarHBondContact O-N 3.44Å; N93-S96 PolarHBondContact O-OG 3.05Å; N93-S97 PolarHBondContact O-N 3.29Å; N93-S97 VanDerWaalsContact O-N 3.13Å
94Q78.6Confident75.7Confident6 Ų652.8 Ų52.83%0.02832%0.317CS..Hα-helixtrans-65.3-36175.7-16662.410.500112.5Y90 M91 K92 M100 S103Y90-Q94 PolarHBondContact O-N 3Å; M91-Q94 PolarHBondContact O-N 3.09Å; K92-Q94 VanDerWaalsContact C-N 3.32Å; Q94-M100 HydrophobicContact CG-CG 4.37Å; Q94-M100 PolarHBondContact NE2-O 3.4Å; Q94-M100 VanDerWaalsContact NE2-O 3.14Å; Q94-S103 PolarHBondContact OE1-O 2.96Å
95A79.4Confident74.2Confident14 Ų1460.1 Ų60.112%0.11635%0.351CS..Hα-helixtrans-73.8-30.3176.700000113.8K13 V16 M91 K92 N93K13-A95 WeakPolarHBondContact CE-O 3.45Å; V16-A95 HydrophobicContact CB-CB 4.24Å; V16-A95 HydrophobicContact CG1-CB 3.8Å; M91-A95 PolarHBondContact O-N 2.98Å; K92-A95 PolarHBondContact O-N 3.41Å; N93-A95 VanDerWaalsContact C-N 3.33Å; N93-A95 PolarHBondContact O-N 2.87Å
96S79.1Confident72.9Confident90 Ų9064.8 Ų64.863%0.62936%0.359SS*.Hα-helixtrans-79.4-26.7179.666.20000112.6K92 N93K92-S96 PolarHBondContact O-N 2.94Å; K92-S96 PolarHBondContact O-OG 2.97Å; N93-S96 PolarHBondContact O-N 3.44Å; N93-S96 PolarHBondContact O-OG 3.05Å
97S73.4Confident72.1Confident26 Ų2665.6 Ų65.618%0.18236%0.364CS..SBendtrans-57.3138.5175-1800000112.6N93 T99 S103N93-S97 PolarHBondContact O-N 3.29Å; N93-S97 VanDerWaalsContact O-N 3.13Å; S97-T99 PolarHBondContact O-N 3.01Å; S97-T99 PolarHBondContact OG-N 3.02Å; S97-T99 PolarHBondContact OG-O 3.26Å; S97-S103 WeakPolarHBondContact CB-OG 3.29Å; S97-S103 WeakPolarHBondContact OG-CB 3.44Å; S97-S103 PolarHBondContact OG-OG 3.44Å
98A61.7Low71.7Confident95 Ų9570.2 Ų70.279%0.78539%0.393SS*.SBendtrans-67.3-23.1179.500000112.8
99T60.7Low71.4Confident71 Ų7176.1 Ų76.144%0.43642%0.42SS..  trans-133.6103.1-179.9550000109.7S97 V101 N102 S103S97-T99 PolarHBondContact O-N 3.01Å; S97-T99 PolarHBondContact OG-N 3.02Å; S97-T99 PolarHBondContact OG-O 3.26Å; T99-V101 PolarHBondContact O-N 2.99Å; T99-N102 PolarHBondContact O-N 3.28Å; T99-N102 WeakPolarHBondContact OG1-CB 3.36Å; T99-S103 PolarHBondContact O-N 3Å; T99-S103 VanDerWaalsContact O-N 3.13Å; T99-S103 PolarHBondContact O-OG 3.31Å
100M55.3Low71.2Confident33 Ų3371.5 Ų71.516%0.16340%0.396CS..THydrogen-bonded Turntrans-59.8-31.6173.3-170166.5-58.100111.3D12 V16 Q94D12-M100 VanDerWaalsContact C-CE 3.49Å; D12-M100 HydrophobicContact CB-CE 3.45Å; D12-M100 VanDerWaalsContact CB-CE 3.45Å; D12-M100 HydrophobicContact CB-SD 3.55Å; D12-M100 VanDerWaalsContact CB-SD 3.55Å; D12-M100 WeakPolarHBondContact O-CE 3.31Å; V16-M100 HydrophobicContact CG2-CE 3.51Å; V16-M100 HydrophobicContact CG2-SD 4.21Å; Q94-M100 HydrophobicContact CG-CG 4.37Å; Q94-M100 PolarHBondContact NE2-O 3.4Å; Q94-M100 VanDerWaalsContact NE2-O 3.14Å
101V56.4Low71.2Confident130 Ų13071.7 Ų71.779%0.78840%0.399SS*.THydrogen-bonded Turntrans-70-28.9-179.1179.80000113.2T99T99-V101 PolarHBondContact O-N 2.99Å
102N53.2Low71.3Confident141 Ų14178.4 Ų78.475%0.75443%0.428SS*.THydrogen-bonded Turntrans-119.8-12.7-168.8-142.245.3000114.9T99 V104T99-N102 PolarHBondContact O-N 3.28Å; T99-N102 WeakPolarHBondContact OG1-CB 3.36Å; N102-V104 VanDerWaalsContact C-N 3.33Å
103S52.3Low71.5Confident35 Ų3573 Ų7325%0.24541%0.405CS..  trans-97.626.3175.875.20000113.5Q94 S97 T99 Q105Q94-S103 PolarHBondContact OE1-O 2.96Å; S97-S103 WeakPolarHBondContact CB-OG 3.29Å; S97-S103 WeakPolarHBondContact OG-CB 3.44Å; S97-S103 PolarHBondContact OG-OG 3.44Å; T99-S103 PolarHBondContact O-N 3Å; T99-S103 VanDerWaalsContact O-N 3.13Å; T99-S103 PolarHBondContact O-OG 3.31Å; S103-Q105 PolarHBondContact O-N 3.35Å
104V53.3Low71.7Confident37 Ų3768.7 Ų68.722%0.22438%0.382CS..  trans-66.964.9168.7-1740000108N102 R106N102-V104 VanDerWaalsContact C-N 3.33Å; V104-R106 HydrophobicContact CG1-CG 4.04Å; V104-R106 PolarHBondContact O-N 2.92Å
105Q60.7Low72.2Confident155 Ų15570 Ų7072%0.72439%0.389SS*.  trans-63.7100.3155.4-170.865.620.300103.7S103 S107S103-Q105 PolarHBondContact O-N 3.35Å; Q105-S107 VanDerWaalsContact C-N 3.26Å; Q105-S107 PolarHBondContact O-N 3.31Å
106R64Low72.7Confident164 Ų16471.5 Ų71.562%0.61939%0.391SS*.  trans-56.790.8175.6-59.8178.5-179-144.8-14.3107.3V104 T108 E141V104-R106 HydrophobicContact CG1-CG 4.04Å; V104-R106 PolarHBondContact O-N 2.92Å; R106-T108 VanDerWaalsContact C-N 3.32Å; R106-T108 PolarHBondContact O-N 2.8Å; R106-E141 WeakPolarHBondContact CD-OE2 3.31Å; R106-E141 VanDerWaalsContact CG-OE2 3.28Å; R106-E141 WeakPolarHBondContact CG-OE2 3.47Å; R106-E141 IonicContact CZ-OE1 3.31Å; R106-E141 IonicContact CZ-OE2 2.7Å; R106-E141 IonicContact NE-OE1 2.81Å; R106-E141 PolarHBondContact NE-OE1 2.91Å; R106-E141 IonicContact NE-OE2 2.78Å; R106-E141 PolarHBondContact NE-OE2 3.35Å; R106-E141 IonicContact NH1-OE2 3.41Å; R106-E141 PolarHBondContact NH1-OE2 3.25Å; R106-E141 IonicContact NH2-OE1 3.96Å; R106-E141 PolarHBondContact NH2-OE1 3.03Å; R106-E141 IonicContact NH2-OE2 2.77Å; R106-E141 PolarHBondContact NH2-OE2 2.84Å; R106-E141 VanDerWaalsContact NH2-OE2 3.1Å
107S74.2Confident73.1Confident44 Ų4467.2 Ų67.231%0.30836%0.361SS..  trans-74.993.4175.3-850000107.8Q105 E109 A110 V111Q105-S107 VanDerWaalsContact C-N 3.26Å; Q105-S107 PolarHBondContact O-N 3.31Å; S107-E109 PolarHBondContact O-N 3.41Å; S107-A110 WeakPolarHBondContact O-CB 3.29Å; S107-A110 PolarHBondContact O-N 3.22Å; S107-V111 PolarHBondContact O-N 2.97Å
108T81.8Confident73.8Confident99 Ų9966.5 Ų66.561%0.60736%0.356SS*.Hα-helixtrans-54.2-32.8173.754.90000111.3R106 V111 K112R106-T108 VanDerWaalsContact C-N 3.32Å; R106-T108 PolarHBondContact O-N 2.8Å; T108-V111 PolarHBondContact O-N 2.85Å; T108-K112 WeakPolarHBondContact O-CB 3.17Å; T108-K112 VanDerWaalsContact O-CG 3.26Å; T108-K112 WeakPolarHBondContact O-CG 3.49Å; T108-K112 PolarHBondContact O-N 3.49Å
109E85Confident74.9Confident128 Ų12865.1 Ų65.160%0.59834%0.335SS*.Hα-helixtrans-64.2-40173.7-167.6-169.8155.300113.1S107 K112 S113S107-E109 PolarHBondContact O-N 3.41Å; E109-K112 PolarHBondContact O-N 3.48Å; E109-S113 VanDerWaalsContact O-CB 3.31Å; E109-S113 WeakPolarHBondContact O-CB 3.31Å; E109-S113 PolarHBondContact O-N 3.37Å; E109-S113 PolarHBondContact O-OG 3.04Å
110A84.8Confident76.1Confident2 Ų261.7 Ų61.72%0.01731%0.314CS..Hα-helixtrans-69.1-38.9176.600000110.7Y90 S107 S113 M114Y90-A110 HydrophobicContact CD1-CB 3.72Å; Y90-A110 HydrophobicContact CD2-CB 4.07Å; Y90-A110 HydrophobicContact CE1-CB 4.32Å; Y90-A110 HydrophobicContact CG-CB 3.57Å; S107-A110 WeakPolarHBondContact O-CB 3.29Å; S107-A110 PolarHBondContact O-N 3.22Å; A110-S113 PolarHBondContact O-N 2.92Å; A110-M114 WeakPolarHBondContact O-CB 3.36Å; A110-M114 PolarHBondContact O-N 3.01Å
111V85.5Confident77.5Confident23 Ų2365 Ų6514%0.13934%0.338CS..Hα-helixtrans-63.3-47174-1800000111S107 T108 S113 M114 Q115 I140S107-V111 PolarHBondContact O-N 2.97Å; T108-V111 PolarHBondContact O-N 2.85Å; V111-S113 PolarHBondContact O-N 3.1Å; V111-M114 PolarHBondContact O-N 2.98Å; V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 PolarHBondContact O-N 3.14Å; V111-I140 HydrophobicContact CG1-CG2 4.46Å; V111-I140 HydrophobicContact CG2-CG1 4.47Å; V111-I140 HydrophobicContact CG2-CG2 3.87Å
112K88.6Confident78.8Confident143 Ų14360.6 Ų60.662%0.62231%0.309SS*.Hα-helixtrans-61.1-44.4175.6-74.7178.1-179.6-170.10112.3T108 E109 M114 Q115 Y116T108-K112 WeakPolarHBondContact O-CB 3.17Å; T108-K112 VanDerWaalsContact O-CG 3.26Å; T108-K112 WeakPolarHBondContact O-CG 3.49Å; T108-K112 PolarHBondContact O-N 3.49Å; E109-K112 PolarHBondContact O-N 3.48Å; K112-M114 VanDerWaalsContact C-N 3.3Å; K112-M114 PolarHBondContact O-N 3.29Å; K112-Q115 PolarHBondContact O-N 3.18Å; K112-Y116 PolarHBondContact O-N 2.91Å
113S90Very high80.4Confident5 Ų554.1 Ų54.14%0.03528%0.275CS..Hα-helixtrans-61.1-41.4175.4-66.40000111.3H83 E109 A110 V111 Y116 L117H83-S113 WeakPolarHBondContact ND1-CB 3.45Å; H83-S113 PolarHBondContact ND1-OG 3.37Å; E109-S113 VanDerWaalsContact O-CB 3.31Å; E109-S113 WeakPolarHBondContact O-CB 3.31Å; E109-S113 PolarHBondContact O-N 3.37Å; E109-S113 PolarHBondContact O-OG 3.04Å; A110-S113 PolarHBondContact O-N 2.92Å; V111-S113 PolarHBondContact O-N 3.1Å; S113-Y116 PolarHBondContact O-N 3.46Å; S113-L117 VanDerWaalsContact O-CG 3.26Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 3.47Å
114M88.1Confident81.9Confident1 Ų152.8 Ų52.81%0.00527%0.266CS..Hα-helixtrans-66.6-40.9177.4-167.659.8173.800111.9M23 I87 A110 V111 K112 L117 V118 M127 L130 M134 I140 M143M23-M114 HydrophobicContact CE-SD 4.32Å; I87-M114 HydrophobicContact CD1-CB 3.81Å; I87-M114 HydrophobicContact CD1-CG 4.35Å; I87-M114 HydrophobicContact CD1-SD 3.61Å; A110-M114 WeakPolarHBondContact O-CB 3.36Å; A110-M114 PolarHBondContact O-N 3.01Å; V111-M114 PolarHBondContact O-N 2.98Å; K112-M114 VanDerWaalsContact C-N 3.3Å; K112-M114 PolarHBondContact O-N 3.29Å; M114-L117 PolarHBondContact O-N 3.38Å; M114-V118 WeakPolarHBondContact O-CG2 3.44Å; M114-V118 PolarHBondContact O-N 3.47Å; M114-M127 WeakPolarHBondContact CE-O 3.41Å; M114-L130 HydrophobicContact CE-CB 3.67Å; M114-M134 HydrophobicContact CE-SD 4.02Å; M114-M134 HydrophobicContact SD-SD 4.43Å; M114-I140 HydrophobicContact CB-CD1 4.27Å; M114-I140 HydrophobicContact CG-CD1 4.18Å; M114-M143 HydrophobicContact CG-CE 4.42Å
115Q88.4Confident83.6Confident35 Ų3555.7 Ų55.716%0.16428%0.284CS..Hα-helixtrans-60.7-45.2175.7-176.360.419.800111.3V111 K112 L117 V118 N119 M143 M144V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 PolarHBondContact O-N 3.14Å; K112-Q115 PolarHBondContact O-N 3.18Å; Q115-L117 PolarHBondContact O-N 3.08Å; Q115-V118 PolarHBondContact O-N 3.19Å; Q115-N119 PolarHBondContact NE2-ND2 3.04Å; Q115-N119 PolarHBondContact O-N 3.06Å; Q115-N119 PolarHBondContact O-ND2 2.97Å; Q115-M143 HydrophobicContact CB-CE 4.49Å; Q115-M144 VanDerWaalsContact CD-O 3.27Å; Q115-M144 PolarHBondContact OE1-O 3Å
116Y89.8Confident84.9Confident45 Ų4549.4 Ų49.418%0.17626%0.258CS..Hα-helixtrans-57.8-48.3174.6-179-96.9000111.8H83 K112 S113 V118 N119 L120 V151H83-Y116 HydrophobicContact CB-CD1 4.48Å; H83-Y116 AromaticContact CD2-CD1 3.15Å; H83-Y116 WeakPolarHBondContact CD2-CD1 3.31Å; H83-Y116 AromaticContact CD2-CE1 3.35Å; H83-Y116 WeakPolarHBondContact CD2-CE1 3.48Å; H83-Y116 AromaticContact CD2-CG 3.96Å; H83-Y116 AromaticContact CG-CD1 3.83Å; H83-Y116 AromaticContact NE2-CD1 3.51Å; H83-Y116 AromaticContact NE2-CE1 3.68Å; H83-Y116 AromaticContact NE2-CG 3.9Å; K112-Y116 PolarHBondContact O-N 2.91Å; S113-Y116 PolarHBondContact O-N 3.46Å; Y116-V118 VanDerWaalsContact C-N 3.33Å; Y116-V118 PolarHBondContact O-N 3.43Å; Y116-N119 PolarHBondContact O-N 2.98Å; Y116-L120 HydrophobicContact CD1-CD1 3.67Å; Y116-L120 HydrophobicContact CD1-CG 4.29Å; Y116-L120 HydrophobicContact CE1-CD1 3.32Å; Y116-L120 HydrophobicContact CE1-CD2 4.26Å; Y116-L120 HydrophobicContact CE1-CG 3.98Å; Y116-L120 PolarHBondContact O-N 2.85Å; Y116-V151 HydrophobicContact CD2-CG1 4.42Å; Y116-V151 HydrophobicContact CD2-CG2 4.34Å; Y116-V151 HydrophobicContact CE2-CB 4.46Å; Y116-V151 HydrophobicContact CE2-CG1 3.57Å; Y116-V151 HydrophobicContact CE2-CG2 4.23Å
117L88Confident86.1Confident0 Ų041.6 Ų41.60%023%0.229CC..Hα-helixtrans-63.1-33.9179.6-70.4-178.6000114.1M23 T80 H83 I84 I87 S113 M114 Q115 N119 L120 M127M23-L117 HydrophobicContact SD-CD1 4.41Å; T80-L117 HydrophobicContact CG2-CD2 3.48Å; T80-L117 VanDerWaalsContact CG2-CD2 3.48Å; H83-L117 HydrophobicContact CB-CD1 4.17Å; H83-L117 HydrophobicContact CB-CD2 3.84Å; H83-L117 HydrophobicContact CB-CG 3.86Å; I84-L117 HydrophobicContact CB-CD1 4.46Å; I84-L117 HydrophobicContact CD1-CD2 4.49Å; I84-L117 HydrophobicContact CG1-CD1 3.62Å; I84-L117 HydrophobicContact CG1-CD2 3.88Å; I84-L117 HydrophobicContact CG1-CG 4.43Å; I87-L117 HydrophobicContact CD1-CD1 3.39Å; I87-L117 HydrophobicContact CD1-CG 4.43Å; S113-L117 VanDerWaalsContact O-CG 3.26Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 3.47Å; M114-L117 PolarHBondContact O-N 3.38Å; Q115-L117 PolarHBondContact O-N 3.08Å; L117-N119 PolarHBondContact O-N 3.32Å; L117-L120 HydrophobicContact CD2-CD1 4.08Å; L117-L120 PolarHBondContact O-N 3.38Å; L117-M127 HydrophobicContact CB-CB 4.19Å; L117-M127 HydrophobicContact CB-CG 3.89Å; L117-M127 HydrophobicContact CB-SD 4.25Å; L117-M127 HydrophobicContact CD1-CE 4.23Å; L117-M127 HydrophobicContact CD1-SD 3.96Å
118V87.7Confident86.8Confident11 Ų1144.1 Ų44.17%0.06723%0.232CC..Hα-helixtrans-67.2-25.4177.9159.80000112.6M114 Q115 Y116 M127 R128 M143M114-V118 WeakPolarHBondContact O-CG2 3.44Å; M114-V118 PolarHBondContact O-N 3.47Å; Q115-V118 PolarHBondContact O-N 3.19Å; Y116-V118 VanDerWaalsContact C-N 3.33Å; Y116-V118 PolarHBondContact O-N 3.43Å; V118-M127 HydrophobicContact CG2-CB 3.98Å; V118-M127 WeakPolarHBondContact CG2-O 3.45Å; V118-R128 HydrophobicContact CB-CG 4.44Å; V118-R128 HydrophobicContact CG1-CG 3.62Å; V118-R128 HydrophobicContact CG2-CG 4.34Å; V118-R128 PolarHBondContact O-NH2 3.34Å; V118-R128 VanDerWaalsContact O-NH2 3.14Å; V118-M143 HydrophobicContact CB-CE 3.96Å; V118-M143 HydrophobicContact CG1-CE 4.2Å; V118-M143 HydrophobicContact CG2-CE 3.61Å
119N84.7Confident87.2Confident65 Ų6544.3 Ų44.335%0.34823%0.226SC..Hα-helixtrans-94.9-8.1-178.1-65.7-29.3000113.6Q115 Y116 L117 V151Q115-N119 PolarHBondContact NE2-ND2 3.04Å; Q115-N119 PolarHBondContact O-N 3.06Å; Q115-N119 PolarHBondContact O-ND2 2.97Å; Y116-N119 PolarHBondContact O-N 2.98Å; L117-N119 PolarHBondContact O-N 3.32Å; N119-V151 HydrophobicContact CB-CG2 4.45Å
120L85.7Confident87.3Confident0 Ų038.5 Ų38.50%020%0.199CC..  trans-83.2123.9-179.7-80.5171.2000112.7T80 Y116 L117 E122 C123 A124 V151T80-L120 HydrophobicContact CG2-CD1 3.64Å; T80-L120 WeakPolarHBondContact OG1-CD1 3.42Å; Y116-L120 HydrophobicContact CD1-CD1 3.67Å; Y116-L120 HydrophobicContact CD1-CG 4.29Å; Y116-L120 HydrophobicContact CE1-CD1 3.32Å; Y116-L120 HydrophobicContact CE1-CD2 4.26Å; Y116-L120 HydrophobicContact CE1-CG 3.98Å; Y116-L120 PolarHBondContact O-N 2.85Å; L117-L120 HydrophobicContact CD2-CD1 4.08Å; L117-L120 PolarHBondContact O-N 3.38Å; L120-E122 PolarHBondContact O-N 3.21Å; L120-C123 PolarHBondContact O-N 2.88Å; L120-A124 WeakPolarHBondContact O-CA 3.44Å; L120-A124 WeakPolarHBondContact O-CB 3.23Å; L120-A124 PolarHBondContact O-N 3.46Å; L120-V151 HydrophobicContact CD2-CG1 3.69Å
121P85.1Confident87.5Confident103 Ų10338.6 Ų38.667%0.66920%0.199SC*.THydrogen-bonded Turntrans-59.5-26.7-174.424.3-33.4000113.9C123P121-C123 PolarHBondContact O-N 3.48Å
122E84.6Confident87.7Confident36 Ų3644.5 Ų44.517%0.16822%0.219CC..THydrogen-bonded Turntrans-71.7-26.3-175.4-58.683.6177.400113.9I30 M77 L120I30-E122 HydrophobicContact CD1-CB 3.98Å; M77-E122 HydrophobicContact CE-CG 3.81Å; L120-E122 PolarHBondContact O-N 3.21Å
123C86.1Confident87.5Confident6 Ų640 Ų404%0.04120%0.2CC..THydrogen-bonded Turntrans-139.27.5-176.763.10000114.2L120 P121 T125 A126 M127L120-C123 PolarHBondContact O-N 2.88Å; P121-C123 PolarHBondContact O-N 3.48Å; C123-T125 VanDerWaalsContact C-N 3.31Å; C123-T125 PolarHBondContact O-N 3.3Å; C123-T125 VanDerWaalsContact O-N 3.15Å; C123-A126 PolarHBondContact O-N 3.5Å; C123-M127 HydrophobicContact CB-CE 4.33Å; C123-M127 HydrophobicContact CB-CG 4.06Å; C123-M127 WeakPolarHBondContact O-CG 3.4Å; C123-M127 PolarHBondContact O-N 3.05Å
124A84.5Confident87.3Confident7 Ų739.8 Ų39.86%0.05820%0.199CC..Hα-helixtrans-50.2-46.2-171.400000113.6L120 M127 R128L120-A124 WeakPolarHBondContact O-CA 3.44Å; L120-A124 WeakPolarHBondContact O-CB 3.23Å; L120-A124 PolarHBondContact O-N 3.46Å; A124-M127 PolarHBondContact O-N 2.92Å; A124-R128 VanDerWaalsContact O-CB 3.3Å; A124-R128 WeakPolarHBondContact O-CB 3.5Å; A124-R128 WeakPolarHBondContact O-CG 3.36Å; A124-R128 PolarHBondContact O-N 2.86Å
125T88.1Confident87.2Confident98 Ų9842.7 Ų42.760%0.60121%0.213SC*.Hα-helixtrans-65.1-50-176.9-53.60000111.6C123 M127 R128 E129C123-T125 VanDerWaalsContact C-N 3.31Å; C123-T125 PolarHBondContact O-N 3.3Å; C123-T125 VanDerWaalsContact O-N 3.15Å; T125-M127 VanDerWaalsContact C-N 3.31Å; T125-M127 PolarHBondContact O-N 3.12Å; T125-R128 PolarHBondContact O-N 3.31Å; T125-E129 PolarHBondContact O-N 2.89Å; T125-E129 VanDerWaalsContact O-N 3.15Å
126A88Confident86.9Confident22 Ų2249.6 Ų49.618%0.18224%0.243CC..Hα-helixtrans-62.5-40.5178.900000111.3E26 C123 E129 L130E26-A126 HydrophobicContact CG-CB 4.03Å; C123-A126 PolarHBondContact O-N 3.5Å; A126-E129 PolarHBondContact O-N 2.97Å; A126-L130 WeakPolarHBondContact O-CB 3.41Å; A126-L130 VanDerWaalsContact O-CG 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.26Å; A126-L130 PolarHBondContact O-N 2.91Å
127M89Confident86.5Confident0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-73.5-31.6-179.9-62.1-64.2171.600112.4M23 E26 I84 M114 L117 V118 C123 A124 T125 E129 L130 S131M23-M127 HydrophobicContact CE-CE 4.29Å; M23-M127 HydrophobicContact CE-SD 3.77Å; M23-M127 HydrophobicContact SD-CE 3.6Å; M23-M127 VanDerWaalsContact SD-CE 3.6Å; M23-M127 HydrophobicContact SD-SD 3.89Å; E26-M127 HydrophobicContact CB-CE 3.59Å; E26-M127 HydrophobicContact CG-CE 3.8Å; I84-M127 HydrophobicContact CD1-CE 3.82Å; I84-M127 HydrophobicContact CG1-CE 3.85Å; M114-M127 WeakPolarHBondContact CE-O 3.41Å; L117-M127 HydrophobicContact CB-CB 4.19Å; L117-M127 HydrophobicContact CB-CG 3.89Å; L117-M127 HydrophobicContact CB-SD 4.25Å; L117-M127 HydrophobicContact CD1-CE 4.23Å; L117-M127 HydrophobicContact CD1-SD 3.96Å; V118-M127 HydrophobicContact CG2-CB 3.98Å; V118-M127 WeakPolarHBondContact CG2-O 3.45Å; C123-M127 HydrophobicContact CB-CE 4.33Å; C123-M127 HydrophobicContact CB-CG 4.06Å; C123-M127 WeakPolarHBondContact O-CG 3.4Å; C123-M127 PolarHBondContact O-N 3.05Å; A124-M127 PolarHBondContact O-N 2.92Å; T125-M127 VanDerWaalsContact C-N 3.31Å; T125-M127 PolarHBondContact O-N 3.12Å; M127-E129 VanDerWaalsContact C-N 3.34Å; M127-L130 PolarHBondContact O-N 3.01Å; M127-L130 HydrophobicContact SD-CD1 3.98Å; M127-S131 WeakPolarHBondContact O-CB 3.31Å; M127-S131 PolarHBondContact O-N 3.26Å; M127-S131 PolarHBondContact O-OG 2.73Å
128R89.8Confident86Confident97 Ų9751.1 Ų51.137%0.36627%0.268SS..Hα-helixtrans-65.2-37.1171.5-79.3178.8-162.4115.43.6112.6V118 A124 T125 S131 R132V118-R128 HydrophobicContact CB-CG 4.44Å; V118-R128 HydrophobicContact CG1-CG 3.62Å; V118-R128 HydrophobicContact CG2-CG 4.34Å; V118-R128 PolarHBondContact O-NH2 3.34Å; V118-R128 VanDerWaalsContact O-NH2 3.14Å; A124-R128 VanDerWaalsContact O-CB 3.3Å; A124-R128 WeakPolarHBondContact O-CB 3.5Å; A124-R128 WeakPolarHBondContact O-CG 3.36Å; A124-R128 PolarHBondContact O-N 2.86Å; T125-R128 PolarHBondContact O-N 3.31Å; R128-S131 VanDerWaalsContact CA-OG 3.29Å; R128-S131 WeakPolarHBondContact CA-OG 3.4Å; R128-S131 PolarHBondContact O-OG 3.41Å; R128-R132 VanDerWaalsContact O-CG 3.29Å; R128-R132 WeakPolarHBondContact O-CG 3.46Å; R128-R132 PolarHBondContact O-N 3.06Å
129E89.6Confident85.6Confident103 Ų10350.6 Ų50.648%0.48127%0.265SS..Hα-helixtrans-70.6-47.4175.5-69.8177-17900111T125 A126 M127 S131 R132 E133T125-E129 PolarHBondContact O-N 2.89Å; T125-E129 VanDerWaalsContact O-N 3.15Å; A126-E129 PolarHBondContact O-N 2.97Å; M127-E129 VanDerWaalsContact C-N 3.34Å; E129-S131 VanDerWaalsContact C-N 3.32Å; E129-S131 PolarHBondContact O-N 2.75Å; E129-R132 PolarHBondContact O-N 2.88Å; E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 2.78Å
130L87.6Confident85.2Confident7 Ų747.8 Ų47.84%0.03725%0.25CS..Hα-helixtrans-60.4-39.4177.4-73.9170.8000112.3L19 R22 M23 M114 A126 M127 E133 M134L19-L130 HydrophobicContact CD2-CD2 3.48Å; L19-L130 VanDerWaalsContact CD2-CD2 3.48Å; R22-L130 HydrophobicContact CB-CD1 4.47Å; R22-L130 HydrophobicContact CB-CD2 4.04Å; M23-L130 HydrophobicContact CE-CD1 4.14Å; M114-L130 HydrophobicContact CE-CB 3.67Å; A126-L130 WeakPolarHBondContact O-CB 3.41Å; A126-L130 VanDerWaalsContact O-CG 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.26Å; A126-L130 PolarHBondContact O-N 2.91Å; M127-L130 PolarHBondContact O-N 3.01Å; M127-L130 HydrophobicContact SD-CD1 3.98Å; L130-E133 WeakPolarHBondContact O-CB 3.25Å; L130-E133 PolarHBondContact O-N 3.47Å; L130-M134 WeakPolarHBondContact O-CB 3.46Å; L130-M134 WeakPolarHBondContact O-CG 3.34Å; L130-M134 PolarHBondContact O-N 3.31Å
131S88Confident84.5Confident3 Ų352 Ų522%0.02127%0.27CS..Hα-helixtrans-65.2-47.5178.343.60000111.8M127 R128 E129 E133 M134 I135 M143M127-S131 WeakPolarHBondContact O-CB 3.31Å; M127-S131 PolarHBondContact O-N 3.26Å; M127-S131 PolarHBondContact O-OG 2.73Å; R128-S131 VanDerWaalsContact CA-OG 3.29Å; R128-S131 WeakPolarHBondContact CA-OG 3.4Å; R128-S131 PolarHBondContact O-OG 3.41Å; E129-S131 VanDerWaalsContact C-N 3.32Å; E129-S131 PolarHBondContact O-N 2.75Å; S131-E133 PolarHBondContact O-N 3.01Å; S131-M134 PolarHBondContact O-N 3.39Å; S131-M134 VanDerWaalsContact O-N 3.16Å; S131-I135 VanDerWaalsContact O-CG1 3.25Å; S131-I135 WeakPolarHBondContact O-CG1 3.45Å; S131-I135 PolarHBondContact O-N 3.32Å; S131-M143 WeakPolarHBondContact CB-SD 3.48Å
132R89.5Confident84Confident148 Ų14854.4 Ų54.456%0.55827%0.272SS*.Hα-helixtrans-58.5-39.4175-68.1175-161.4156.42111.9R128 E129 K136R128-R132 VanDerWaalsContact O-CG 3.29Å; R128-R132 WeakPolarHBondContact O-CG 3.46Å; R128-R132 PolarHBondContact O-N 3.06Å; E129-R132 PolarHBondContact O-N 2.88Å; R132-K136 WeakPolarHBondContact O-CB 3.44Å; R132-K136 VanDerWaalsContact O-CG 3.26Å; R132-K136 WeakPolarHBondContact O-CG 3.26Å; R132-K136 PolarHBondContact O-N 3.39Å
133E86.2Confident83.3Confident48 Ų4854.1 Ų54.122%0.22427%0.271CS..Hα-helixtrans-64.1-45.2175.4-86.4-159.2-137.300112Y15 L19 R22 E129 L130 S131 I135 K136 A137Y15-E133 WeakPolarHBondContact OH-CB 3.2Å; Y15-E133 PolarHBondContact OH-O 3.48Å; Y15-E133 PolarHBondContact OH-OE2 2.84Å; L19-E133 HydrophobicContact CD2-CB 4.18Å; L19-E133 WeakPolarHBondContact CD2-OE2 3.44Å; R22-E133 IonicContact CZ-OE1 2.69Å; R22-E133 IonicContact NH1-OE1 2.97Å; R22-E133 PolarHBondContact NH1-OE1 3.16Å; R22-E133 IonicContact NH1-OE2 3.05Å; E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 2.78Å; L130-E133 WeakPolarHBondContact O-CB 3.25Å; L130-E133 PolarHBondContact O-N 3.47Å; S131-E133 PolarHBondContact O-N 3.01Å; E133-I135 PolarHBondContact O-N 3.01Å; E133-K136 PolarHBondContact O-N 3.03Å; E133-A137 WeakPolarHBondContact O-CB 3.48Å; E133-A137 PolarHBondContact O-N 3.28Å
134M85.1Confident82.4Confident1 Ų159.4 Ų59.41%0.00530%0.297CS..Hα-helixtrans-65.1-36.6176.8-71.1175105.400112.9L19 I87 M91 M114 L130 S131 G138 I139 I140L19-M134 HydrophobicContact CD1-CG 3.98Å; I87-M134 HydrophobicContact CG2-CE 3.8Å; I87-M134 HydrophobicContact CG2-SD 4.44Å; M91-M134 HydrophobicContact CE-CE 3.86Å; M91-M134 HydrophobicContact CG-CE 3.44Å; M91-M134 VanDerWaalsContact CG-CE 3.44Å; M91-M134 HydrophobicContact SD-CE 3.38Å; M91-M134 WeakPolarHBondContact SD-CE 3.18Å; M114-M134 HydrophobicContact CE-SD 4.02Å; M114-M134 HydrophobicContact SD-SD 4.43Å; L130-M134 WeakPolarHBondContact O-CB 3.46Å; L130-M134 WeakPolarHBondContact O-CG 3.34Å; L130-M134 PolarHBondContact O-N 3.31Å; S131-M134 PolarHBondContact O-N 3.39Å; S131-M134 VanDerWaalsContact O-N 3.16Å; M134-G138 PolarHBondContact O-N 3.46Å; M134-I139 HydrophobicContact CB-CB 4.31Å; M134-I139 HydrophobicContact CE-CG2 3.96Å; M134-I139 HydrophobicContact CG-CD1 4.49Å; M134-I139 WeakPolarHBondContact O-CB 3.18Å; M134-I139 PolarHBondContact O-N 2.92Å; M134-I140 HydrophobicContact CB-CB 4.46Å; M134-I140 HydrophobicContact CB-CD1 4Å; M134-I140 HydrophobicContact CB-CG1 4.23Å; M134-I140 HydrophobicContact CE-CD1 4.27Å; M134-I140 PolarHBondContact O-N 3.21Å; M134-I140 HydrophobicContact SD-CD1 3.98Å
135I84.9Confident81.4Confident61 Ų6167.2 Ų67.231%0.31333%0.332SS..Hα-helixtrans-66.3-48.8175.4-64.4163.9000110.9S131 E133 A137 G138 I140 M143S131-I135 VanDerWaalsContact O-CG1 3.25Å; S131-I135 WeakPolarHBondContact O-CG1 3.45Å; S131-I135 PolarHBondContact O-N 3.32Å; E133-I135 PolarHBondContact O-N 3.01Å; I135-A137 PolarHBondContact O-N 3.36Å; I135-G138 PolarHBondContact O-N 2.77Å; I135-I140 VanDerWaalsContact CA-O 3.28Å; I135-I140 WeakPolarHBondContact CA-O 3.47Å; I135-I140 HydrophobicContact CG1-CB 4.45Å; I135-I140 HydrophobicContact CG1-CG2 4.35Å; I135-M143 HydrophobicContact CD1-CB 4.48Å; I135-M143 HydrophobicContact CD1-CG 3.67Å; I135-M143 HydrophobicContact CD1-SD 4.09Å; I135-M143 HydrophobicContact CG1-CG 4.43Å
136K83.7Confident79.8Confident180 Ų18068.9 Ų68.978%0.78334%0.337SS*.Hα-helixtrans-61.3-32.7178.8-75.6173.4179.9-178.40113.2R132 E133 G138R132-K136 WeakPolarHBondContact O-CB 3.44Å; R132-K136 VanDerWaalsContact O-CG 3.26Å; R132-K136 WeakPolarHBondContact O-CG 3.26Å; R132-K136 PolarHBondContact O-N 3.39Å; E133-K136 PolarHBondContact O-N 3.03Å; K136-G138 PolarHBondContact O-N 2.97Å
137A80.8Confident78.1Confident39 Ų3972.5 Ų72.532%0.32236%0.357SS..THydrogen-bonded Turntrans-81.5-1.2177.100000113.7Y15 E133 I135 I139Y15-A137 HydrophobicContact CD1-CB 3.94Å; Y15-A137 HydrophobicContact CE1-CB 3.39Å; E133-A137 WeakPolarHBondContact O-CB 3.48Å; E133-A137 PolarHBondContact O-N 3.28Å; I135-A137 PolarHBondContact O-N 3.36Å; A137-I139 HydrophobicContact CB-CD1 3.87Å; A137-I139 HydrophobicContact CB-CG1 3.93Å; A137-I139 PolarHBondContact O-N 3.48Å
138G78.1Confident76.3Confident38 Ų3878.9 Ų78.939%0.39240%0.396SS..THydrogen-bonded Turntrans65.718.7-175.800000113.6M134 I135 K136M134-G138 PolarHBondContact O-N 3.46Å; I135-G138 PolarHBondContact O-N 2.77Å; K136-G138 PolarHBondContact O-N 2.97Å
139I78.2Confident74.8Confident1 Ų181.7 Ų81.71%0.00541%0.413CS..SBendtrans-75.4-38.1174.6-61.5167.7000109.4Y15 V16 L19 Y90 M134 A137Y15-I139 HydrophobicContact CD1-CD1 4.37Å; Y15-I139 HydrophobicContact CE1-CD1 4.27Å; V16-I139 HydrophobicContact CG2-CD1 3.81Å; V16-I139 HydrophobicContact CG2-CG1 4.44Å; L19-I139 HydrophobicContact CD1-CD1 3.72Å; Y90-I139 HydrophobicContact CE1-CG2 3.83Å; Y90-I139 PolarHBondContact OH-O 3.02Å; M134-I139 HydrophobicContact CB-CB 4.31Å; M134-I139 HydrophobicContact CE-CG2 3.96Å; M134-I139 HydrophobicContact CG-CD1 4.49Å; M134-I139 WeakPolarHBondContact O-CB 3.18Å; M134-I139 PolarHBondContact O-N 2.92Å; A137-I139 HydrophobicContact CB-CD1 3.87Å; A137-I139 HydrophobicContact CB-CG1 3.93Å; A137-I139 PolarHBondContact O-N 3.48Å
140I76.1Confident73.2Confident5 Ų580 Ų803%0.02641%0.413CS..SBendtrans-121.2135.7170.8-64.9173.6000105.7V111 M114 M134 I135 E142V111-I140 HydrophobicContact CG1-CG2 4.46Å; V111-I140 HydrophobicContact CG2-CG1 4.47Å; V111-I140 HydrophobicContact CG2-CG2 3.87Å; M114-I140 HydrophobicContact CB-CD1 4.27Å; M114-I140 HydrophobicContact CG-CD1 4.18Å; M134-I140 HydrophobicContact CB-CB 4.46Å; M134-I140 HydrophobicContact CB-CD1 4Å; M134-I140 HydrophobicContact CB-CG1 4.23Å; M134-I140 HydrophobicContact CE-CD1 4.27Å; M134-I140 PolarHBondContact O-N 3.21Å; M134-I140 HydrophobicContact SD-CD1 3.98Å; I135-I140 VanDerWaalsContact CA-O 3.28Å; I135-I140 WeakPolarHBondContact CA-O 3.47Å; I135-I140 HydrophobicContact CG1-CB 4.45Å; I135-I140 HydrophobicContact CG1-CG2 4.35Å; I140-E142 WeakPolarHBondContact CG2-O 3.42Å
141E71.8Confident71.8Confident88 Ų8881.6 Ų81.641%0.41142%0.423SS..SBendtrans-85-36.9-176-66.3159.7153.800112.2R106R106-E141 WeakPolarHBondContact CD-OE2 3.31Å; R106-E141 VanDerWaalsContact CG-OE2 3.28Å; R106-E141 WeakPolarHBondContact CG-OE2 3.47Å; R106-E141 IonicContact CZ-OE1 3.31Å; R106-E141 IonicContact CZ-OE2 2.7Å; R106-E141 IonicContact NE-OE1 2.81Å; R106-E141 PolarHBondContact NE-OE1 2.91Å; R106-E141 IonicContact NE-OE2 2.78Å; R106-E141 PolarHBondContact NE-OE2 3.35Å; R106-E141 IonicContact NH1-OE2 3.41Å; R106-E141 PolarHBondContact NH1-OE2 3.25Å; R106-E141 IonicContact NH2-OE1 3.96Å; R106-E141 PolarHBondContact NH2-OE1 3.03Å; R106-E141 IonicContact NH2-OE2 2.77Å; R106-E141 PolarHBondContact NH2-OE2 2.84Å; R106-E141 VanDerWaalsContact NH2-OE2 3.1Å
142E74.7Confident70.3Confident154 Ų15486.4 Ų86.472%0.7245%0.448SS*.  trans-156.9143.2179.6-164.8170.5-173.100109.3I140I140-E142 WeakPolarHBondContact CG2-O 3.42Å
143M70.3Confident68.9Low31 Ų3183.8 Ų83.815%0.15345%0.45CS..  trans-85.6126.5163.9-68.9-175.384.200107.4M114 Q115 V118 S131 I135 E145M114-M143 HydrophobicContact CG-CE 4.42Å; Q115-M143 HydrophobicContact CB-CE 4.49Å; V118-M143 HydrophobicContact CB-CE 3.96Å; V118-M143 HydrophobicContact CG1-CE 4.2Å; V118-M143 HydrophobicContact CG2-CE 3.61Å; S131-M143 WeakPolarHBondContact CB-SD 3.48Å; I135-M143 HydrophobicContact CD1-CB 4.48Å; I135-M143 HydrophobicContact CD1-CG 3.67Å; I135-M143 HydrophobicContact CD1-SD 4.09Å; I135-M143 HydrophobicContact CG1-CG 4.43Å; M143-E145 PolarHBondContact O-N 3.01Å; M143-E145 VanDerWaalsContact O-N 3.1Å
144M66.7Low67.7Low116 Ų11690.7 Ų90.757%0.57148%0.482SS*.  trans-65.9111.9168.8-62.3179.269.600107.7Q115 D146Q115-M144 VanDerWaalsContact CD-O 3.27Å; Q115-M144 PolarHBondContact OE1-O 3Å; M144-D146 PolarHBondContact O-N 3.42Å
145E64Low66.7Low172 Ų17293.4 Ų93.480%0.80450%0.499SS*.  trans-67.8-17.7170.9-79.4-177.717000111.7M143 T147M143-E145 PolarHBondContact O-N 3.01Å; M143-E145 VanDerWaalsContact O-N 3.1Å; E145-T147 PolarHBondContact O-N 3.02Å; E145-T147 VanDerWaalsContact O-N 3.13Å
146D53.7Low66.2Low132 Ų13294.5 Ų94.571%0.70651%0.505SS*.  trans-84.796.6-174.1-64.9-29.2000111.6M144M144-D146 PolarHBondContact O-N 3.42Å
147T52.9Low66Low98 Ų9893.7 Ų93.760%0.60150%0.504SS*.  152.795.4129.9-50.40000104.9E145 E149E145-T147 PolarHBondContact O-N 3.02Å; E145-T147 VanDerWaalsContact O-N 3.13Å; T147-E149 HydrophobicContact CG2-CB 3.88Å; T147-E149 PolarHBondContact O-N 2.95Å
148V50.9Low66Low135 Ų13597.3 Ų97.382%0.81852%0.518SS*.  trans-72.163.9159.9-170.50000106S150V148-S150 PolarHBondContact O-N 2.95Å; V148-S150 VanDerWaalsContact O-N 3.13Å
149E57.5Low66.2Low155 Ų155101.3 Ų101.372%0.72453%0.526SS*.  trans-61.4119.4162.1-171.4156.3-148.900103.3T147 V151T147-E149 HydrophobicContact CG2-CB 3.88Å; T147-E149 PolarHBondContact O-N 2.95Å; E149-V151 PolarHBondContact O-N 3.41Å
150S56Low66.4Low68 Ų68103 Ų10348%0.47654%0.536SS..  trans-50.4108.7177.4175.20000107V148 L152V148-S150 PolarHBondContact O-N 2.95Å; V148-S150 VanDerWaalsContact O-N 3.13Å; S150-L152 WeakPolarHBondContact CB-O 3.47Å; S150-L152 CarbonylContact O-C 3.59Å; S150-L152 PolarHBondContact O-N 3.17Å; S150-L152 VanDerWaalsContact O-O 3.09Å; S150-L152 PolarHBondContact OG-N 3.1Å; S150-L152 PolarHBondContact OG-O 3.05Å
151V57.5Low66.9Low41 Ų41105.8 Ų105.825%0.24855%0.548CS..SBendtrans-60.7-14.6177.2174.70000110.4Y116 N119 L120 E149 P153Y116-V151 HydrophobicContact CD2-CG1 4.42Å; Y116-V151 HydrophobicContact CD2-CG2 4.34Å; Y116-V151 HydrophobicContact CE2-CB 4.46Å; Y116-V151 HydrophobicContact CE2-CG1 3.57Å; Y116-V151 HydrophobicContact CE2-CG2 4.23Å; N119-V151 HydrophobicContact CB-CG2 4.45Å; L120-V151 HydrophobicContact CD2-CG1 3.69Å; E149-V151 PolarHBondContact O-N 3.41Å; V151-P153 VanDerWaalsContact O-CD 3.28Å; V151-P153 WeakPolarHBondContact O-CD 3.5Å
152L56.6Low67.8Low103 Ų103108.4 Ų108.454%0.53956%0.561SS.*SBendtrans-85.7107.1165.2-63.6157.1000107.2S150 E154S150-L152 WeakPolarHBondContact CB-O 3.47Å; S150-L152 CarbonylContact O-C 3.59Å; S150-L152 PolarHBondContact O-N 3.17Å; S150-L152 VanDerWaalsContact O-O 3.09Å; S150-L152 PolarHBondContact OG-N 3.1Å; S150-L152 PolarHBondContact OG-O 3.05Å; L152-E154 PolarHBondContact O-N 2.69Å
153P60.3Low68.4Low93 Ų93105 Ų10560%0.60455%0.545SS*.  trans-51134164.621.5-30.9000107.9V151 V155V151-P153 VanDerWaalsContact O-CD 3.28Å; V151-P153 WeakPolarHBondContact O-CD 3.5Å; P153-V155 VanDerWaalsContact C-N 3.3Å; P153-V155 PolarHBondContact O-N 2.7Å
154E62.2Low69.4Low194 Ų194103.5 Ų103.591%0.90754%0.537SS*.  trans-61.5101.5167.7-66.6-166.5167.700106.1L152L152-E154 PolarHBondContact O-N 2.69Å
155V62.8Low70.5Confident58 Ų58101 Ų10135%0.35253%0.526SS..  trans-79.2123.5178.8175.30000106.3K72 P153 E157 L160K72-V155 VanDerWaalsContact NZ-CG1 3.33Å; P153-V155 VanDerWaalsContact C-N 3.3Å; P153-V155 PolarHBondContact O-N 2.7Å; V155-E157 PolarHBondContact O-N 3.22Å; V155-L160 HydrophobicContact CG1-CB 4Å
156D75.7Confident71.8Confident84 Ų8499.2 Ų99.245%0.44952%0.516SS..  trans-60128.1168.8-165.8-28.2000109D158 E159 L160D156-D158 PolarHBondContact O-N 3.28Å; D156-D158 PolarHBondContact OD1-N 2.78Å; D156-E159 HydrophobicContact CB-CB 4.24Å; D156-E159 HydrophobicContact CB-CG 4Å; D156-E159 PolarHBondContact O-N 2.77Å; D156-L160 PolarHBondContact O-N 2.94Å; D156-L160 VanDerWaalsContact O-N 3.07Å
157E78.5Confident73.5Confident162 Ų16293 Ų9376%0.75748%0.483SS*.Hα-helixtrans-60-29.8179.9-65.9-171.5164.300111.4V155 L160 Q161V155-E157 PolarHBondContact O-N 3.22Å; E157-L160 PolarHBondContact O-N 3.04Å; E157-Q161 PolarHBondContact O-N 2.87Å
158D81.6Confident75.3Confident116 Ų11689 Ų8962%0.6246%0.457SS*.Hα-helixtrans-70.6-46.9178.3-70.2-27.2000111.3D156 L160 Q161 E162D156-D158 PolarHBondContact O-N 3.28Å; D156-D158 PolarHBondContact OD1-N 2.78Å; D158-L160 VanDerWaalsContact C-N 3.27Å; D158-L160 PolarHBondContact O-N 3.23Å; D158-Q161 WeakPolarHBondContact O-CB 2.93Å; D158-Q161 PolarHBondContact O-N 3.16Å; D158-E162 PolarHBondContact O-N 2.92Å
159E81.9Confident77.1Confident121 Ų12187.7 Ų87.757%0.56545%0.446SS*.Hα-helixtrans-60.1-38.6174.4-69.6-176.4171.400111.5D156 Q161 E162 E163D156-E159 HydrophobicContact CB-CB 4.24Å; D156-E159 HydrophobicContact CB-CG 4Å; D156-E159 PolarHBondContact O-N 2.77Å; E159-Q161 VanDerWaalsContact C-N 3.3Å; E159-Q161 PolarHBondContact O-N 2.94Å; E159-E162 PolarHBondContact O-N 3.27Å; E159-E163 WeakPolarHBondContact O-CG 3.28Å; E159-E163 PolarHBondContact O-N 3.49Å
160L82.3Confident78.6Confident38 Ų3884.5 Ų84.520%0.19943%0.431CS..Hα-helixtrans-61.9-40.8175178.865.1000111.3V68 V155 D156 E157 D158 E163 V164V68-L160 HydrophobicContact CB-CD1 4.23Å; V68-L160 HydrophobicContact CG1-CD1 3.54Å; V155-L160 HydrophobicContact CG1-CB 4Å; D156-L160 PolarHBondContact O-N 2.94Å; D156-L160 VanDerWaalsContact O-N 3.07Å; E157-L160 PolarHBondContact O-N 3.04Å; D158-L160 VanDerWaalsContact C-N 3.27Å; D158-L160 PolarHBondContact O-N 3.23Å; L160-E163 PolarHBondContact O-N 3.4Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 3.33Å
161Q86.4Confident80.1Confident62 Ų6281.7 Ų81.729%0.2941%0.411SS..Hα-helixtrans-68.4-39.5-179.1-171.455.937.500111.6E157 D158 E159 V164 D165E157-Q161 PolarHBondContact O-N 2.87Å; D158-Q161 WeakPolarHBondContact O-CB 2.93Å; D158-Q161 PolarHBondContact O-N 3.16Å; E159-Q161 VanDerWaalsContact C-N 3.3Å; E159-Q161 PolarHBondContact O-N 2.94Å; Q161-V164 WeakPolarHBondContact O-CB 3.28Å; Q161-V164 PolarHBondContact O-N 3.49Å; Q161-D165 PolarHBondContact NE2-OD1 3.38Å; Q161-D165 PolarHBondContact O-N 2.98Å
162E90.3Very high81.2Confident144 Ų14481.6 Ų81.667%0.67341%0.411SS*.Hα-helixtrans-61.8-43.5173-67.2-175.1176.500112.3D158 E159 V164 D165 K166D158-E162 PolarHBondContact O-N 2.92Å; E159-E162 PolarHBondContact O-N 3.27Å; E162-V164 VanDerWaalsContact C-N 3.29Å; E162-V164 PolarHBondContact O-N 3.05Å; E162-D165 PolarHBondContact O-N 2.95Å; E162-K166 WeakPolarHBondContact O-CB 3.44Å; E162-K166 PolarHBondContact O-N 3.27Å
163E88.9Confident82.2Confident81 Ų8179.3 Ų79.338%0.37941%0.406SS..Hα-helixtrans-61.7-38.2175.1-73.7-176.7147.800111.9V68 K72 E159 L160 V167V68-E163 HydrophobicContact CG1-CB 4.01Å; V68-E163 WeakPolarHBondContact CG1-OE2 3.42Å; V68-E163 HydrophobicContact CG2-CB 3.98Å; K72-E163 WeakPolarHBondContact CE-OE2 3.19Å; K72-E163 IonicContact NZ-OE2 2.75Å; K72-E163 PolarHBondContact NZ-OE2 3.13Å; E159-E163 WeakPolarHBondContact O-CG 3.28Å; E159-E163 PolarHBondContact O-N 3.49Å; L160-E163 PolarHBondContact O-N 3.4Å; E163-V167 VanDerWaalsContact O-CG2 3.29Å; E163-V167 WeakPolarHBondContact O-CG2 3.42Å; E163-V167 PolarHBondContact O-N 2.75Å
164V90.4Very high82.4Confident0 Ų076.9 Ų76.90%040%0.399CS..Hα-helixtrans-64.7-47.8177.1168.40000110.9A64 K65 V68 L160 Q161 E162 K166 V167 L168A64-V164 HydrophobicContact CB-CG1 3.87Å; K65-V164 HydrophobicContact CB-CG2 4.28Å; K65-V164 HydrophobicContact CG-CB 4.5Å; K65-V164 HydrophobicContact CG-CG1 4.2Å; K65-V164 HydrophobicContact CG-CG2 3.46Å; K65-V164 VanDerWaalsContact CG-CG2 3.46Å; V68-V164 HydrophobicContact CG2-CG2 3.95Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 3.33Å; Q161-V164 WeakPolarHBondContact O-CB 3.28Å; Q161-V164 PolarHBondContact O-N 3.49Å; E162-V164 VanDerWaalsContact C-N 3.29Å; E162-V164 PolarHBondContact O-N 3.05Å; V164-K166 VanDerWaalsContact C-N 3.31Å; V164-K166 PolarHBondContact O-N 3.34Å; V164-V167 PolarHBondContact O-N 3.22Å; V164-L168 HydrophobicContact CG1-CD1 4.23Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 2.96Å
165D90.3Very high82.2Confident64 Ų6470.1 Ų70.134%0.34237%0.371SS..Hα-helixtrans-65.6-37.7179.7-69.9-27.1000111Q161 E162 L168 N169Q161-D165 PolarHBondContact NE2-OD1 3.38Å; Q161-D165 PolarHBondContact O-N 2.98Å; E162-D165 PolarHBondContact O-N 2.95Å; D165-L168 PolarHBondContact O-N 3.44Å; D165-N169 WeakPolarHBondContact O-CB 3.49Å; D165-N169 VanDerWaalsContact O-CG 3.25Å; D165-N169 PolarHBondContact O-N 2.78Å; D165-N169 PolarHBondContact O-ND2 3.36Å; D165-N169 VanDerWaalsContact O-ND2 3.15Å
166K91.4Very high81.5Confident135 Ų13573.4 Ų73.459%0.58739%0.385SS*.Hα-helixtrans-59.6-46.5170.7-172.4-179.9-179.9176.10111.9E162 V164 L168 N169 E170E162-K166 WeakPolarHBondContact O-CB 3.44Å; E162-K166 PolarHBondContact O-N 3.27Å; V164-K166 VanDerWaalsContact C-N 3.31Å; V164-K166 PolarHBondContact O-N 3.34Å; K166-L168 PolarHBondContact O-N 2.93Å; K166-N169 PolarHBondContact O-N 3.31Å; K166-E170 WeakPolarHBondContact CE-OE1 3.49Å; K166-E170 WeakPolarHBondContact O-CB 3.47Å; K166-E170 VanDerWaalsContact O-CG 3.29Å; K166-E170 WeakPolarHBondContact O-CG 3.47Å; K166-E170 PolarHBondContact O-N 3.03Å
167V90Very high80.3Confident1 Ų174.9 Ų74.91%0.00640%0.402CS..Hα-helixtrans-62.9-41.7177.51670000111.7A64 I67 V68 E163 V164 E170 V171A64-V167 HydrophobicContact CB-CG1 4.07Å; I67-V167 HydrophobicContact CB-CG1 3.97Å; I67-V167 HydrophobicContact CD1-CG1 3.91Å; I67-V167 HydrophobicContact CG2-CG1 3.74Å; I67-V167 HydrophobicContact CG2-CG2 4.18Å; V68-V167 HydrophobicContact CG2-CG2 3.85Å; E163-V167 VanDerWaalsContact O-CG2 3.29Å; E163-V167 WeakPolarHBondContact O-CG2 3.42Å; E163-V167 PolarHBondContact O-N 2.75Å; V164-V167 PolarHBondContact O-N 3.22Å; V167-E170 PolarHBondContact O-N 2.98Å; V167-V171 HydrophobicContact CG1-CG2 4.42Å; V167-V171 VanDerWaalsContact O-CG2 3.3Å; V167-V171 WeakPolarHBondContact O-CG2 3.48Å; V167-V171 PolarHBondContact O-N 3.45Å
168L89.7Confident78.7Confident13 Ų1377.8 Ų77.87%0.06841%0.406CS..Hα-helixtrans-59.9-48.2175.8-76.4172.6000111.1I48 C60 K61 A64 V164 D165 K166 V171 V172I48-L168 HydrophobicContact CG2-CD2 4.34Å; C60-L168 HydrophobicContact CB-CD2 3.67Å; C60-L168 WeakPolarHBondContact O-CD2 3.28Å; K61-L168 HydrophobicContact CG-CD1 3.88Å; A64-L168 HydrophobicContact CB-CD1 4.35Å; A64-L168 HydrophobicContact CB-CD2 3.64Å; A64-L168 HydrophobicContact CB-CG 3.61Å; V164-L168 HydrophobicContact CG1-CD1 4.23Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 2.96Å; D165-L168 PolarHBondContact O-N 3.44Å; K166-L168 PolarHBondContact O-N 2.93Å; L168-V171 PolarHBondContact O-N 3.45Å; L168-V172 VanDerWaalsContact O-CB 3.32Å; L168-V172 WeakPolarHBondContact O-CB 3.31Å; L168-V172 VanDerWaalsContact O-CG2 3.28Å; L168-V172 WeakPolarHBondContact O-CG2 3.38Å; L168-V172 PolarHBondContact O-N 3.09Å
169N89.4Confident76.5Confident109 Ų10975 Ų7558%0.58340%0.399SS*.Hα-helixtrans-62.7-44.2177.7-70.4-29.8000111.5D165 K166 V171 A173D165-N169 WeakPolarHBondContact O-CB 3.49Å; D165-N169 VanDerWaalsContact O-CG 3.25Å; D165-N169 PolarHBondContact O-N 2.78Å; D165-N169 PolarHBondContact O-ND2 3.36Å; D165-N169 VanDerWaalsContact O-ND2 3.15Å; K166-N169 PolarHBondContact O-N 3.31Å; N169-V171 VanDerWaalsContact C-N 3.33Å; N169-V171 PolarHBondContact O-N 3.05Å; N169-A173 WeakPolarHBondContact O-CA 3.34Å; N169-A173 WeakPolarHBondContact O-CB 3.43Å; N169-A173 PolarHBondContact O-N 3.38Å
170E89.1Confident74.4Confident87 Ų8774.7 Ų74.741%0.40741%0.408SS..Hα-helixtrans-56.5-44.8175.4-76.2171.9-170.700112.1R71 K166 V167 G174R71-E170 IonicContact CZ-OE2 2.68Å; R71-E170 IonicContact NH1-OE2 3.32Å; R71-E170 PolarHBondContact NH1-OE2 3.49Å; R71-E170 IonicContact NH2-OE2 3.01Å; R71-E170 PolarHBondContact NH2-OE2 3.43Å; K166-E170 WeakPolarHBondContact CE-OE1 3.49Å; K166-E170 WeakPolarHBondContact O-CB 3.47Å; K166-E170 VanDerWaalsContact O-CG 3.29Å; K166-E170 WeakPolarHBondContact O-CG 3.47Å; K166-E170 PolarHBondContact O-N 3.03Å; V167-E170 PolarHBondContact O-N 2.98Å; E170-G174 PolarHBondContact O-N 3.11Å
171V86.6Confident72.5Confident10 Ų1078.4 Ų78.46%0.06144%0.444CS..Hα-helixtrans-76.8-39.5-175.7176.90000112.1K45 I48 K49 V167 L168 N169K45-V171 HydrophobicContact CG-CG2 4.12Å; I48-V171 HydrophobicContact CB-CG1 4.03Å; I48-V171 HydrophobicContact CG2-CB 4.24Å; I48-V171 HydrophobicContact CG2-CG1 3.67Å; K49-V171 HydrophobicContact CD-CG1 4.48Å; K49-V171 HydrophobicContact CG-CG1 3.76Å; V167-V171 HydrophobicContact CG1-CG2 4.42Å; V167-V171 VanDerWaalsContact O-CG2 3.3Å; V167-V171 WeakPolarHBondContact O-CG2 3.48Å; V167-V171 PolarHBondContact O-N 3.45Å; L168-V171 PolarHBondContact O-N 3.45Å; N169-V171 VanDerWaalsContact C-N 3.33Å; N169-V171 PolarHBondContact O-N 3.05Å
172V81.7Confident70Confident39 Ų3979.3 Ų79.324%0.23646%0.462CS..Hα-helixtrans-81.4-42.3-177.9177.20000111.5A52 L168 G174 T175 L176A52-V172 HydrophobicContact CB-CG2 4.2Å; L168-V172 VanDerWaalsContact O-CB 3.32Å; L168-V172 WeakPolarHBondContact O-CB 3.31Å; L168-V172 VanDerWaalsContact O-CG2 3.28Å; L168-V172 WeakPolarHBondContact O-CG2 3.38Å; L168-V172 PolarHBondContact O-N 3.09Å; V172-G174 VanDerWaalsContact C-N 3.26Å; V172-G174 PolarHBondContact O-N 2.88Å; V172-T175 WeakPolarHBondContact O-CA 3.46Å; V172-T175 WeakPolarHBondContact O-CB 3.37Å; V172-T175 PolarHBondContact O-N 3.17Å; V172-T175 PolarHBondContact O-OG1 2.69Å; V172-L176 PolarHBondContact O-N 3.14Å; V172-L176 VanDerWaalsContact O-N 3.11Å
173A77.3Confident67.3Low54 Ų5476.9 Ų76.945%0.44647%0.467SS..Hα-helixtrans-63.8-34.217600000111.8N169 T175 L176 S177N169-A173 WeakPolarHBondContact O-CA 3.34Å; N169-A173 WeakPolarHBondContact O-CB 3.43Å; N169-A173 PolarHBondContact O-N 3.38Å; A173-T175 PolarHBondContact O-N 2.94Å; A173-T175 VanDerWaalsContact O-N 3.08Å; A173-L176 PolarHBondContact O-N 3.21Å; A173-L176 VanDerWaalsContact O-N 3.11Å; A173-S177 PolarHBondContact O-N 2.96Å
174G64.1Low64.6Low43 Ų4378 Ų7844%0.44348%0.483SS..Hα-helixtrans-61.4-14.1170.600000114.2E170 V172E170-G174 PolarHBondContact O-N 3.11Å; V172-G174 VanDerWaalsContact C-N 3.26Å; V172-G174 PolarHBondContact O-N 2.88Å
175T57.2Low61.9Low52 Ų5286.4 Ų86.432%0.31952%0.522SS..Hα-helixtrans-94.4-38.4169.5670000112.7K49 V172 A173 S177 R178 A179K49-T175 HydrophobicContact CD-CG2 3.74Å; K49-T175 HydrophobicContact CG-CG2 3.82Å; V172-T175 WeakPolarHBondContact O-CA 3.46Å; V172-T175 WeakPolarHBondContact O-CB 3.37Å; V172-T175 PolarHBondContact O-N 3.17Å; V172-T175 PolarHBondContact O-OG1 2.69Å; A173-T175 PolarHBondContact O-N 2.94Å; A173-T175 VanDerWaalsContact O-N 3.08Å; T175-S177 VanDerWaalsContact C-N 3.33Å; T175-S177 PolarHBondContact O-N 3.24Å; T175-R178 CarbonylContact O-C 3.57Å; T175-R178 PolarHBondContact O-N 3.48Å; T175-A179 PolarHBondContact O-N 2.97Å
176L48.7Very low59.1Low126 Ų12687.4 Ų87.466%0.6654%0.54SS*.Hα-helixtrans-64.7-36.4176.5-69.9172.3000112V172 A173 R178 A179V172-L176 PolarHBondContact O-N 3.14Å; V172-L176 VanDerWaalsContact O-N 3.11Å; A173-L176 PolarHBondContact O-N 3.21Å; A173-L176 VanDerWaalsContact O-N 3.11Å; L176-R178 PolarHBondContact O-N 2.91Å; L176-A179 PolarHBondContact O-N 3.25Å
177S50.2Low56.3Low115 Ų11587.8 Ų87.880%0.80455%0.547SS*.THydrogen-bonded Turntrans-67.1-13.6172.8-177.10000113.6A173 T175A173-S177 PolarHBondContact O-N 2.96Å; T175-S177 VanDerWaalsContact C-N 3.33Å; T175-S177 PolarHBondContact O-N 3.24Å
178R44.4Very low53.5Low223 Ų22395.1 Ų95.184%0.84258%0.582SS**THydrogen-bonded Turntrans-110.3-11.7-179.3-166.4172.8171.6-169.6-3113.4T175 L176T175-R178 CarbonylContact O-C 3.57Å; T175-R178 PolarHBondContact O-N 3.48Å; L176-R178 PolarHBondContact O-N 2.91Å
179A35.5Very low50.8Low58 Ų5899.8 Ų99.848%0.47962%0.615SS.*SBendtrans-79.8123.2168.700000108.2T175 L176 A181T175-A179 PolarHBondContact O-N 2.97Å; L176-A179 PolarHBondContact O-N 3.25Å; A179-A181 PolarHBondContact O-N 3.49Å
180P38.4Very low48Very low114 Ų114104.8 Ų104.874%0.7463%0.632SS**  trans-63.1131.6174.928.3-30.9000107.4A182P180-A182 PolarHBondContact O-N 3.15Å
181A42.7Very low45.2Very low116 Ų116109 Ų10996%0.95965%0.651SS**  trans-58.588.4172.400000109.3A179A179-A181 PolarHBondContact O-N 3.49Å
182A32.8Very low42.9Very low81 Ų81112.8 Ų112.867%0.66968%0.684SS**  trans-135.1119.5173.300000107.4P180P180-A182 PolarHBondContact O-N 3.15Å
183A34.3Very low40.9Very low93 Ų93115.3 Ų115.377%0.76971%0.709SS**SBendtrans76.583.3178.700000114.9
184S32Very low39Very low104 Ų104117.8 Ų117.873%0.72772%0.719SS**  7898.183.268.80000114.1
185H33.3Very low37.9Very low177 Ų177120.2 Ų120.282%0.81973%0.725SS**  trans174.5100.2131-104-77.1000105.9
186A32.5Very low37.2Very low86 Ų86121.1 Ų121.171%0.71174%0.738SS**  44.680.175.600000112.1
187L31.7Very low36.9Very low142 Ų142121.9 Ų121.974%0.74374%0.738SS**  trans-163.294.4136.8-12788000106.5
188E32.2Very low36.7Very low156 Ų156121.4 Ų121.473%0.72973%0.727SS**  109.989.896.2-91.3171.4-166.900110.6
189S31.9Very low37Very low111 Ų111116.7 Ų116.778%0.77672%0.718SS**  trans28.195.3133.655.90000117.5
190K31.2Very low38.1Very low213 Ų213121.6 Ų121.693%0.92673%0.729SS**  trans-131.555.8139.1-146.9176.7-173-178.90109.8
191E30.6Very low38.9Very low175 Ų175122.3 Ų122.382%0.81872%0.722SS**  trans-82118.2155.5-86.1-179.3153.500108.3
192A37.6Very low39.8Very low91 Ų91119.6 Ų119.675%0.75270%0.699SS**SBendtrans164.379.7131.100000109
193A40.8Very low41.6Very low92 Ų92118.4 Ų118.476%0.7669%0.69SS**SBendtrans-159.6-19.3155.600000115.1
194T37.1Very low43.4Very low106 Ų106119.1 Ų119.165%0.6568%0.677SS**SBendtrans-115.83.4-172.247.20000116A196T194-A196 VanDerWaalsContact C-N 3.3Å; T194-A196 PolarHBondContact O-N 3.07Å
195T40.2Very low45.4Very low93 Ų93118.1 Ų118.157%0.57167%0.666SS**Hα-helixtrans-78.3-11173.235.80000114
196A44Very low47.4Very low71 Ų71115.7 Ų115.759%0.58766%0.655SS**Hα-helixtrans-81-19.2177.300000114.3T194T194-A196 VanDerWaalsContact C-N 3.3Å; T194-A196 PolarHBondContact O-N 3.07Å
197E41.6Very low49.7Very low142 Ų142113.9 Ų113.966%0.66464%0.64SS**Hα-helixtrans-86.7-37.2178.2-77.2-172.6145.100112.3D199 K200 E201E197-D199 PolarHBondContact O-N 3.35Å; E197-K200 PolarHBondContact O-N 2.96Å; E197-E201 PolarHBondContact O-N 3.34Å
198N46.7Very low52Low106 Ų106110.8 Ų110.857%0.56763%0.625SS**Hα-helixtrans-66.1-34.2-179.4-84.1-12.8000113.6K200 E201 A202N198-K200 VanDerWaalsContact C-N 3.3Å; N198-K200 PolarHBondContact O-N 3.16Å; N198-E201 PolarHBondContact O-N 3.29Å; N198-A202 VanDerWaalsContact O-CB 3.25Å; N198-A202 WeakPolarHBondContact O-CB 3.34Å; N198-A202 PolarHBondContact O-N 3.44Å
199D50.5Low54.2Low123 Ų123107.2 Ų107.266%0.65861%0.61SS**Hα-helixtrans-69.4-30.8177.3-73.5-14000111.8E197 A203E197-D199 PolarHBondContact O-N 3.35Å; D199-A203 VanDerWaalsContact O-CB 3.3Å; D199-A203 WeakPolarHBondContact O-CB 3.48Å; D199-A203 PolarHBondContact O-N 3.08Å; D199-A203 VanDerWaalsContact O-N 3.13Å
200K57.1Low56.6Low162 Ų162107.4 Ų107.470%0.70460%0.599SS**Hα-helixtrans-75.7-41.3175.7-70.4-173.7-179.3179.80112E197 N198 Q204E197-K200 PolarHBondContact O-N 2.96Å; N198-K200 VanDerWaalsContact C-N 3.3Å; N198-K200 PolarHBondContact O-N 3.16Å; K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.09Å
201E55.2Low59.1Low128 Ų12899.8 Ų99.860%0.59858%0.576SS**Hα-helixtrans-67.1-39.9175.6-80.8-171.6157.500111.9E197 N198 Q204 V205E197-E201 PolarHBondContact O-N 3.34Å; N198-E201 PolarHBondContact O-N 3.29Å; E201-Q204 PolarHBondContact O-N 3.41Å; E201-V205 WeakPolarHBondContact O-CB 3.41Å; E201-V205 VanDerWaalsContact O-CG2 3.25Å; E201-V205 WeakPolarHBondContact O-CG2 3.27Å; E201-V205 PolarHBondContact O-N 3.1Å
202A62.7Low61.4Low59 Ų5996.6 Ų96.649%0.48856%0.562SS.*Hα-helixtrans-63.1-44.6175.400000111.9N198 Q204 V205 E206N198-A202 VanDerWaalsContact O-CB 3.25Å; N198-A202 WeakPolarHBondContact O-CB 3.34Å; N198-A202 PolarHBondContact O-N 3.44Å; A202-Q204 VanDerWaalsContact C-N 3.35Å; A202-Q204 PolarHBondContact O-N 3.13Å; A202-V205 PolarHBondContact O-N 3.49Å; A202-E206 WeakPolarHBondContact O-CB 3.25Å; A202-E206 PolarHBondContact O-N 3.06Å
203A70.4Confident63.5Low57 Ų57100 Ų10047%0.47156%0.556SS.*Hα-helixtrans-65.3-36.4176.700000112.6D199 A207D199-A203 VanDerWaalsContact O-CB 3.3Å; D199-A203 WeakPolarHBondContact O-CB 3.48Å; D199-A203 PolarHBondContact O-N 3.08Å; D199-A203 VanDerWaalsContact O-N 3.13Å; A203-A207 WeakPolarHBondContact O-CB 3Å; A203-A207 PolarHBondContact O-N 3.4Å
204Q73.2Confident65.5Low107 Ų10798.4 Ų98.450%0.554%0.543SS..Hα-helixtrans-69.5-43.2176.7-173.160.946.300111.7K200 E201 A202 E206 A207 D208K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.09Å; E201-Q204 PolarHBondContact O-N 3.41Å; A202-Q204 VanDerWaalsContact C-N 3.35Å; A202-Q204 PolarHBondContact O-N 3.13Å; Q204-E206 VanDerWaalsContact C-N 3.33Å; Q204-E206 PolarHBondContact O-N 3.34Å; Q204-A207 PolarHBondContact O-N 3.5Å; Q204-D208 PolarHBondContact NE2-OD1 3.41Å; Q204-D208 WeakPolarHBondContact O-CB 3.07Å; Q204-D208 VanDerWaalsContact O-CG 3.24Å; Q204-D208 PolarHBondContact O-N 3.16Å
205V73.7Confident67.5Low83 Ų83102.7 Ų102.750%0.50355%0.547SS..Hα-helixtrans-64.2-39.2177.1171.60000111E201 A202 D208 L209E201-V205 WeakPolarHBondContact O-CB 3.41Å; E201-V205 VanDerWaalsContact O-CG2 3.25Å; E201-V205 WeakPolarHBondContact O-CG2 3.27Å; E201-V205 PolarHBondContact O-N 3.1Å; A202-V205 PolarHBondContact O-N 3.49Å; V205-D208 PolarHBondContact O-N 2.62Å; V205-L209 HydrophobicContact CG1-CD1 4Å; V205-L209 HydrophobicContact CG1-CG 4.41Å; V205-L209 WeakPolarHBondContact O-CB 2.96Å; V205-L209 VanDerWaalsContact O-CG 3.23Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 3.09Å
206E74.9Confident69.4Low126 Ų126104 Ų10459%0.58955%0.55SS*.Hα-helixtrans-65.1-44.3176.3-167.5166.5-156.200111.6A202 Q204 D208 L209 E210A202-E206 WeakPolarHBondContact O-CB 3.25Å; A202-E206 PolarHBondContact O-N 3.06Å; Q204-E206 VanDerWaalsContact C-N 3.33Å; Q204-E206 PolarHBondContact O-N 3.34Å; E206-D208 PolarHBondContact O-N 3.13Å; E206-L209 PolarHBondContact O-N 3.47Å; E206-E210 WeakPolarHBondContact O-CG 3.42Å; E206-E210 PolarHBondContact O-N 3.4Å
207A81.4Confident71.1Confident48 Ų48107.6 Ų107.640%0.39755%0.554SS.*Hα-helixtrans-62.2-40.6174.900000112.9A203 Q204 E210 A211A203-A207 WeakPolarHBondContact O-CB 3Å; A203-A207 PolarHBondContact O-N 3.4Å; Q204-A207 PolarHBondContact O-N 3.5Å; A207-E210 PolarHBondContact O-N 3.26Å; A207-A211 WeakPolarHBondContact O-CB 3.35Å; A207-A211 PolarHBondContact O-N 3.24Å
208D79.8Confident73.1Confident77 Ų77104.3 Ų104.341%0.41255%0.552SS.*Hα-helixtrans-68.2-37.1178.4-71.3-20.3000111.8Q204 V205 E206 M212Q204-D208 PolarHBondContact NE2-OD1 3.41Å; Q204-D208 WeakPolarHBondContact O-CB 3.07Å; Q204-D208 VanDerWaalsContact O-CG 3.24Å; Q204-D208 PolarHBondContact O-N 3.16Å; V205-D208 PolarHBondContact O-N 2.62Å; E206-D208 PolarHBondContact O-N 3.13Å; D208-M212 HydrophobicContact CB-CE 4.42Å; D208-M212 WeakPolarHBondContact O-CG 3.46Å; D208-M212 PolarHBondContact O-N 3.4Å
209L78.6Confident74.5Confident82 Ų82106.1 Ų106.143%0.42956%0.56SS.*Hα-helixtrans-67.4-40.6174.9-74.4172.8000111.9V205 E206 M212 R213V205-L209 HydrophobicContact CG1-CD1 4Å; V205-L209 HydrophobicContact CG1-CG 4.41Å; V205-L209 WeakPolarHBondContact O-CB 2.96Å; V205-L209 VanDerWaalsContact O-CG 3.23Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 3.09Å; E206-L209 PolarHBondContact O-N 3.47Å; L209-M212 PolarHBondContact O-N 3.13Å; L209-R213 VanDerWaalsContact O-CG 3.27Å; L209-R213 WeakPolarHBondContact O-CG 3.44Å; L209-R213 PolarHBondContact O-N 3.34Å
210E82Confident75.3Confident115 Ų115111.2 Ų111.254%0.53757%0.57SS.*Hα-helixtrans-64.9-42.6175.2-73.9-175.2167.900112E206 A207 M212 R213 A214E206-E210 WeakPolarHBondContact O-CG 3.42Å; E206-E210 PolarHBondContact O-N 3.4Å; A207-E210 PolarHBondContact O-N 3.26Å; E210-M212 VanDerWaalsContact C-N 3.33Å; E210-M212 PolarHBondContact O-N 2.96Å; E210-R213 PolarHBondContact O-N 3.28Å; E210-A214 PolarHBondContact O-N 3.01Å
211A83.1Confident75.1Confident53 Ų53114.9 Ų114.944%0.43859%0.59SS.*Hα-helixtrans-63.2-37.7175.700000112.5A207 R215A207-A211 WeakPolarHBondContact O-CB 3.35Å; A207-A211 PolarHBondContact O-N 3.24Å; A211-R215 PolarHBondContact O-N 3.45Å; A211-R215 VanDerWaalsContact O-N 3.17Å
212M79.6Confident76Confident108 Ų108114.2 Ų114.253%0.53259%0.59SS.*Hα-helixtrans-67.6-40.2173.4-81.1-171.5-100.800112.3D208 L209 E210 R215 L216D208-M212 HydrophobicContact CB-CE 4.42Å; D208-M212 WeakPolarHBondContact O-CG 3.46Å; D208-M212 PolarHBondContact O-N 3.4Å; L209-M212 PolarHBondContact O-N 3.13Å; E210-M212 VanDerWaalsContact C-N 3.33Å; E210-M212 PolarHBondContact O-N 2.96Å; M212-R215 PolarHBondContact O-N 3.44Å; M212-L216 WeakPolarHBondContact O-CG 3.47Å; M212-L216 PolarHBondContact O-N 3.04Å
213R79.9Confident76.8Confident162 Ų162117.1 Ų117.161%0.61160%0.595SS**Hα-helixtrans-62.1-46.1175.7-74.1171.3-175.9177.94.6111.8L209 E210 R215 L216 E217L209-R213 VanDerWaalsContact O-CG 3.27Å; L209-R213 WeakPolarHBondContact O-CG 3.44Å; L209-R213 PolarHBondContact O-N 3.34Å; E210-R213 PolarHBondContact O-N 3.28Å; R213-R215 VanDerWaalsContact C-N 3.31Å; R213-R215 PolarHBondContact O-N 2.96Å; R213-L216 PolarHBondContact O-N 3.41Å; R213-L216 VanDerWaalsContact O-N 3.11Å; R213-E217 PolarHBondContact O-N 2.78Å
214A83.3Confident77.1Confident59 Ų59120.4 Ų120.449%0.48860%0.602SS.*Hα-helixtrans-61.3-38.6177.400000112.4E210 E217 A218E210-A214 PolarHBondContact O-N 3.01Å; A214-E217 PolarHBondContact O-N 2.81Å; A214-A218 PolarHBondContact O-N 2.97Å; A214-A218 VanDerWaalsContact O-N 3.09Å
215R80.5Confident77.3Confident195 Ų195121.2 Ų121.274%0.73661%0.608SS**Hα-helixtrans-64.3-37.5173.5-101.9177170.3138.9-2.7113.1A211 M212 R213 L219A211-R215 PolarHBondContact O-N 3.45Å; A211-R215 VanDerWaalsContact O-N 3.17Å; M212-R215 PolarHBondContact O-N 3.44Å; R213-R215 VanDerWaalsContact C-N 3.31Å; R213-R215 PolarHBondContact O-N 2.96Å; R215-L219 PolarHBondContact O-N 2.96Å
216L78.7Confident77.6Confident122 Ų122123.6 Ų123.664%0.63961%0.614SS**Hα-helixtrans-72.4-36.1178.2-71.2171.8000112.1M212 R213 L219M212-L216 WeakPolarHBondContact O-CG 3.47Å; M212-L216 PolarHBondContact O-N 3.04Å; R213-L216 PolarHBondContact O-N 3.41Å; R213-L216 VanDerWaalsContact O-N 3.11Å; L216-L219 PolarHBondContact O-N 2.76Å
217E81.3Confident77.7Confident145 Ų145123.5 Ų123.568%0.67862%0.616SS**Hα-helixtrans-68.3-40.3175.3-76.5-177.3166.200112.2R213 A214 L219 R220R213-E217 PolarHBondContact O-N 2.78Å; A214-E217 PolarHBondContact O-N 2.81Å; E217-L219 PolarHBondContact O-N 3.18Å; E217-R220 WeakPolarHBondContact O-CB 3.38Å; E217-R220 PolarHBondContact O-N 3.36Å
218A82.5Confident77.5Confident74 Ų74128.9 Ų128.961%0.61263%0.632SS**THydrogen-bonded Turntrans-65.4-16.117600000114.3A214A214-A218 PolarHBondContact O-N 2.97Å; A214-A218 VanDerWaalsContact O-N 3.09Å
219L75.2Confident77.3Confident143 Ų143132.8 Ų132.875%0.74965%0.649SS**THydrogen-bonded Turntrans-90.5-5.1173.4-77167.1000113R215 L216 E217R215-L219 PolarHBondContact O-N 2.96Å; L216-L219 PolarHBondContact O-N 2.76Å; E217-L219 PolarHBondContact O-N 3.18Å
220R68.7Low77.2Confident230 Ų230137.1 Ų137.187%0.86867%0.667SS**THydrogen-bonded Turntrans-96.4-18.8-178.1-160.8177.3-177.5-173.90.2112.9E217E217-R220 WeakPolarHBondContact O-CB 3.38Å; E217-R220 PolarHBondContact O-N 3.36Å
221E51.5Low76.8Confident239 Ų239139.1 Ų139.1100%1.11768%0.679SS**  trans-86.70164.8-65.9-170.2160.400110.9

Retrieved 221 of 221 residues in 256 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).