A0A093HQ54_STRCA Loading...

Core histone macro-H2A

Variant histone H2A which replaces conventional H2A in a subset of nucleosomes.

AlphaFold DB , UniProt , Accession A0A093HQ54, Species STRCA (Struthio camelus australis), Gene n/a, Length 372 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
1M43.3Very low55Low250 Ų250158.1 Ų158.1100%1.23287%0.871SS**  0137.40-63.4157.28100107.8
2S46Very low57.1Low120 Ų120162.1 Ų162.184%0.83987%0.873SS**  trans-117.5111.7-177.8-175.50000111.3R4S2-R4 PolarHBondContact O-N 3.38Å
3S47.1Very low59.3Low119 Ų119156.8 Ų156.883%0.83285%0.85SS**  trans-8390.4-175.540.80000111.6G5S3-G5 PolarHBondContact O-N 3.18Å
4R51.2Low61.5Low246 Ų246150.3 Ų150.393%0.92882%0.822SS**  trans-67.879168-94.2-176.6168.2166.5-2111.3S2 G6S2-R4 PolarHBondContact O-N 3.38Å; R4-G6 PolarHBondContact O-N 2.89Å
5G48.8Very low63.4Low71 Ų71150.1 Ų150.173%0.73281%0.805SS**  trans-63.995.1173.900000111.8S3 K7S3-G5 PolarHBondContact O-N 3.18Å; G5-K7 PolarHBondContact O-N 2.97Å
6G54.2Low65.3Low73 Ų73141.8 Ų141.875%0.75376%0.761SS**  trans-66.8101.2178.500000112R4 K8R4-G6 PolarHBondContact O-N 2.89Å; G6-K8 PolarHBondContact O-N 3.48Å; G6-K8 VanDerWaalsContact O-N 3.1Å
7K59.2Low67Low200 Ų200137.6 Ų137.687%0.8775%0.751SS**  trans-55.3116.6171.9-76.8-177175.2177.30109.8G5 K9G5-K7 PolarHBondContact O-N 2.97Å; K7-K9 PolarHBondContact O-N 3.09Å; K7-K9 VanDerWaalsContact O-N 3.1Å
8K61.7Low68.4Low209 Ų209138.7 Ų138.791%0.90975%0.747SS**  trans-51.5118.1169.2-82-177.2174.1177.60108.6G6 S10G6-K8 PolarHBondContact O-N 3.48Å; G6-K8 VanDerWaalsContact O-N 3.1Å; K8-S10 PolarHBondContact O-N 2.92Å; K8-S10 VanDerWaalsContact O-N 3.08Å
9K61.4Low69.6Low207 Ų207133.3 Ų133.390%0.972%0.724SS**  trans-64.6108.2171.5-79.7179.8176173.30108.1K7 T11K7-K9 PolarHBondContact O-N 3.09Å; K7-K9 VanDerWaalsContact O-N 3.1Å; K9-T11 PolarHBondContact O-N 3.21Å
10S62.8Low70.8Confident107 Ų107130.2 Ų130.275%0.74872%0.724SS**  trans-65.1122.916850.30000109.1K8 K12K8-S10 PolarHBondContact O-N 2.92Å; K8-S10 VanDerWaalsContact O-N 3.08Å; S10-K12 PolarHBondContact O-N 2.92Å; S10-K12 VanDerWaalsContact O-N 3.12Å
11T69.9Low72Confident137 Ų137125 Ų12584%0.8470%0.696SS**  trans-64.9111.6176.49.40000108.7K9 T13K9-T11 PolarHBondContact O-N 3.21Å; T11-T13 PolarHBondContact O-N 3.45Å
12K79.7Confident74.4Confident206 Ų206120.2 Ų120.290%0.89667%0.674SS**  trans-63.8107.7178.9-71.4-175.6177.5179.90109.3S10 S14S10-K12 PolarHBondContact O-N 2.92Å; S10-K12 VanDerWaalsContact O-N 3.12Å; K12-S14 PolarHBondContact O-N 3.13Å
13T85.2Confident76.7Confident94 Ų94117 Ų11758%0.57765%0.645SS**  trans-57.4132.6177.837.50000111T11 K18T11-T13 PolarHBondContact O-N 3.45Å; T13-K18 WeakPolarHBondContact OG1-CE 3.48Å
14S90.6Very high79.1Confident65 Ų65113.4 Ų113.446%0.45562%0.618SS.*  trans-69.8158.1-174.581.60000111.3K12 S16 A17 K18K12-S14 PolarHBondContact O-N 3.13Å; S14-S16 PolarHBondContact O-N 3.34Å; S14-A17 PolarHBondContact O-N 3.4Å; S14-A17 WeakPolarHBondContact OG-CB 3.49Å; S14-A17 PolarHBondContact OG-N 2.79Å; S14-A17 VanDerWaalsContact OG-N 3.08Å; S14-K18 WeakPolarHBondContact O-CB 3.33Å; S14-K18 WeakPolarHBondContact O-CG 3.4Å; S14-K18 PolarHBondContact O-N 2.86Å
15R90.1Very high81.3Confident148 Ų148101.8 Ų101.856%0.55858%0.575SS**THydrogen-bonded Turntrans-65.1-30.1178.1-63.8-172-173-173.51.8112.8A19 V25 L29R15-A19 VanDerWaalsContact O-CB 3.24Å; R15-A19 WeakPolarHBondContact O-CB 3.4Å; R15-A19 PolarHBondContact O-N 2.79Å; R15-V25 HydrophobicContact CB-CB 4.09Å; R15-V25 HydrophobicContact CB-CG1 3.85Å; R15-L29 VanDerWaalsContact NH1-CD2 3.25Å
16S94.4Very high83.4Confident16 Ų16100.6 Ų100.611%0.11256%0.563CS.*THydrogen-bonded Turntrans-67.6-51.2173-60.50000111S14 K18 A19 G20 V21 F23 V25S14-S16 PolarHBondContact O-N 3.34Å; S16-K18 VanDerWaalsContact C-N 3.28Å; S16-K18 PolarHBondContact O-N 3.47Å; S16-A19 CarbonylContact O-C 3.48Å; S16-A19 WeakPolarHBondContact O-CA 3.49Å; S16-A19 PolarHBondContact O-N 3.48Å; S16-G20 PolarHBondContact O-N 3.19Å; S16-G20 VanDerWaalsContact O-N 3.09Å; S16-V21 CarbonylContact C-O 3.41Å; S16-V21 WeakPolarHBondContact CB-O 3.45Å; S16-V21 PolarHBondContact O-N 2.81Å; S16-F23 WeakPolarHBondContact CB-O 3.48Å; S16-F23 PolarHBondContact OG-O 3.18Å; S16-V25 PolarHBondContact OG-N 2.84Å; S16-V25 VanDerWaalsContact OG-N 3.14Å
17A93Very high85.4Confident71 Ų71103.4 Ų103.459%0.58755%0.55SS**G310 helixtrans-62.4-32.9178.200000113.1S14 A19S14-A17 PolarHBondContact O-N 3.4Å; S14-A17 WeakPolarHBondContact OG-CB 3.49Å; S14-A17 PolarHBondContact OG-N 2.79Å; S14-A17 VanDerWaalsContact OG-N 3.08Å; A17-A19 VanDerWaalsContact C-N 3.27Å; A17-A19 PolarHBondContact O-N 3.38Å
18K92.1Very high87.2Confident157 Ų15794.9 Ų94.968%0.68351%0.514SS*.G310 helixtrans-72.5-15.6171.9-75.2-165.8174.8-1550114.6T13 S14 S16T13-K18 WeakPolarHBondContact OG1-CE 3.48Å; S14-K18 WeakPolarHBondContact O-CB 3.33Å; S14-K18 WeakPolarHBondContact O-CG 3.4Å; S14-K18 PolarHBondContact O-N 2.86Å; S16-K18 VanDerWaalsContact C-N 3.28Å; S16-K18 PolarHBondContact O-N 3.47Å
19A92.3Very high88.8Confident36 Ų3686.2 Ų86.230%0.29848%0.478SS..G310 helixtrans-112.45.8-176.100000113.1R15 S16 A17 V21 V47R15-A19 VanDerWaalsContact O-CB 3.24Å; R15-A19 WeakPolarHBondContact O-CB 3.4Å; R15-A19 PolarHBondContact O-N 2.79Å; S16-A19 CarbonylContact O-C 3.48Å; S16-A19 WeakPolarHBondContact O-CA 3.49Å; S16-A19 PolarHBondContact O-N 3.48Å; A17-A19 VanDerWaalsContact C-N 3.27Å; A17-A19 PolarHBondContact O-N 3.38Å; A19-V21 HydrophobicContact CB-CG2 4.17Å; A19-V21 PolarHBondContact O-N 3.46Å; A19-V47 HydrophobicContact CB-CG1 3.76Å; A19-V47 HydrophobicContact CB-CG2 4.14Å
20G94.1Very high90.4Very high72 Ų7283.7 Ų83.774%0.74246%0.462SS*.THydrogen-bonded Turntrans73.13.8178.100000115.9S16S16-G20 PolarHBondContact O-N 3.19Å; S16-G20 VanDerWaalsContact O-N 3.09Å
21V94.2Very high92Very high21 Ų2184.5 Ų84.513%0.12745%0.45CS..  trans-104.3145.6-174.8-65.40000112.5S16 A19 V25 A50 A51 E54S16-V21 CarbonylContact C-O 3.41Å; S16-V21 WeakPolarHBondContact CB-O 3.45Å; S16-V21 PolarHBondContact O-N 2.81Å; A19-V21 HydrophobicContact CB-CG2 4.17Å; A19-V21 PolarHBondContact O-N 3.46Å; V21-V25 HydrophobicContact CG2-CG2 3.58Å; V21-A50 HydrophobicContact CG2-CB 4.23Å; V21-A51 HydrophobicContact CG1-CB 4.1Å; V21-E54 WeakPolarHBondContact CB-OE2 3.29Å
22I94.6Very high93.2Very high149 Ų14979.4 Ų79.476%0.76442%0.417SS*.SBendtrans-72.2-35.6171.5-59174.6000110.4E54I22-E54 WeakPolarHBondContact CA-OE2 3.49Å; I22-E54 VanDerWaalsContact N-CD 3.29Å; I22-E54 PolarHBondContact N-OE1 2.73Å; I22-E54 PolarHBondContact N-OE2 3.17Å
23F95.3Very high93.9Very high54 Ų5475.3 Ų75.324%0.23740%0.399CS..SBendtrans-70.3145.4-171.2-90.547000111.9S16 V25 A50 L53 E54 T57S16-F23 WeakPolarHBondContact CB-O 3.48Å; S16-F23 PolarHBondContact OG-O 3.18Å; F23-V25 PolarHBondContact O-N 3.37Å; F23-A50 HydrophobicContact CB-CB 4.05Å; F23-L53 HydrophobicContact CD2-CB 3.9Å; F23-L53 HydrophobicContact CE2-CB 3.83Å; F23-E54 HydrophobicContact CB-CB 4.34Å; F23-E54 VanDerWaalsContact CB-OE2 3.25Å; F23-E54 WeakPolarHBondContact CB-OE2 3.35Å; F23-E54 HydrophobicContact CD1-CB 3.79Å; F23-E54 HydrophobicContact CD1-CG 3.81Å; F23-E54 VanDerWaalsContact CD1-OE2 3.27Å; F23-E54 WeakPolarHBondContact CD1-OE2 3.33Å; F23-E54 HydrophobicContact CD2-CB 4.45Å; F23-E54 HydrophobicContact CE1-CB 4.2Å; F23-E54 HydrophobicContact CE1-CG 4.2Å; F23-E54 HydrophobicContact CG-CB 3.94Å; F23-E54 HydrophobicContact CG-CG 4.42Å; F23-E54 PolarHBondContact N-OE2 2.75Å; F23-T57 HydrophobicContact CZ-CG2 4.04Å; F23-T57 WeakPolarHBondContact CZ-OG1 3.33Å
24P96.3Very high94.4Very high42 Ų4279.3 Ų79.327%0.27341%0.409SS..  trans-80.282.3-167.731.7-36.7000112.8G26 R27 M28P24-G26 PolarHBondContact O-N 2.98Å; P24-R27 HydrophobicContact CB-CB 3.78Å; P24-R27 HydrophobicContact CG-CB 3.86Å; P24-R27 WeakPolarHBondContact O-CA 3.26Å; P24-R27 VanDerWaalsContact O-CB 3.25Å; P24-R27 WeakPolarHBondContact O-CB 3.36Å; P24-R27 PolarHBondContact O-N 2.95Å; P24-M28 PolarHBondContact O-N 3.26Å
25V96.7Very high94.5Very high2 Ų278.8 Ų78.81%0.01241%0.414CS..Hα-helixtrans-43.7-41.9175.1174.90000113R15 S16 V21 F23 R27 M28 L29 P46 V47 A50R15-V25 HydrophobicContact CB-CB 4.09Å; R15-V25 HydrophobicContact CB-CG1 3.85Å; S16-V25 PolarHBondContact OG-N 2.84Å; S16-V25 VanDerWaalsContact OG-N 3.14Å; V21-V25 HydrophobicContact CG2-CG2 3.58Å; F23-V25 PolarHBondContact O-N 3.37Å; V25-R27 VanDerWaalsContact C-N 3.33Å; V25-R27 PolarHBondContact O-N 3.06Å; V25-M28 PolarHBondContact O-N 2.83Å; V25-L29 PolarHBondContact O-N 2.92Å; V25-P46 HydrophobicContact CG1-CB 4.14Å; V25-P46 HydrophobicContact CG1-CG 4.28Å; V25-V47 HydrophobicContact CG1-CG2 3.77Å; V25-V47 HydrophobicContact CG2-CG2 4.34Å; V25-A50 HydrophobicContact CG2-CB 3.77Å
26G94.9Very high94.7Very high46 Ų4676.7 Ų76.747%0.47441%0.41SS..Hα-helixtrans-65.6-32.1177.400000114.1P24 R30P24-G26 PolarHBondContact O-N 2.98Å; G26-R30 PolarHBondContact O-N 2.96Å
27R95.8Very high94.5Very high132 Ų13281.1 Ų81.150%0.49844%0.438SS..Hα-helixtrans-75.2-41.2174.2-166.8-170.2-64.6169.30.1110.4P24 V25 L29 R30 Y31P24-R27 HydrophobicContact CB-CB 3.78Å; P24-R27 HydrophobicContact CG-CB 3.86Å; P24-R27 WeakPolarHBondContact O-CA 3.26Å; P24-R27 VanDerWaalsContact O-CB 3.25Å; P24-R27 WeakPolarHBondContact O-CB 3.36Å; P24-R27 PolarHBondContact O-N 2.95Å; V25-R27 VanDerWaalsContact C-N 3.33Å; V25-R27 PolarHBondContact O-N 3.06Å; R27-L29 PolarHBondContact O-N 3.42Å; R27-R30 WeakPolarHBondContact O-CB 3.46Å; R27-R30 PolarHBondContact O-N 2.96Å; R27-R30 VanDerWaalsContact O-N 3.16Å; R27-Y31 HydrophobicContact CG-CD2 4.2Å; R27-Y31 HydrophobicContact CG-CE2 3.55Å; R27-Y31 PolarHBondContact O-N 3.46Å
28M96.1Very high94.6Very high21 Ų2187.3 Ų87.310%0.10345%0.452CS..Hα-helixtrans-57.7-48.1174.5-62.3-49.6-68.400111.6P24 V25 R30 Y31 I32 P46 M49 A50 L53P24-M28 PolarHBondContact O-N 3.26Å; V25-M28 PolarHBondContact O-N 2.83Å; M28-R30 VanDerWaalsContact C-N 3.26Å; M28-R30 PolarHBondContact O-N 3.42Å; M28-Y31 PolarHBondContact O-N 3.28Å; M28-Y31 VanDerWaalsContact O-N 3.09Å; M28-I32 VanDerWaalsContact O-CG1 3.29Å; M28-I32 WeakPolarHBondContact O-CG1 3.43Å; M28-I32 PolarHBondContact O-N 2.9Å; M28-P46 HydrophobicContact CB-CB 4.21Å; M28-M49 HydrophobicContact CE-CB 3.95Å; M28-A50 HydrophobicContact CG-CB 4.11Å; M28-L53 HydrophobicContact CE-CD1 3.45Å; M28-L53 VanDerWaalsContact CE-CD1 3.45Å; M28-L53 HydrophobicContact CE-CG 4.47Å; M28-L53 HydrophobicContact SD-CD1 4.18Å
29L95.5Very high94.6Very high28 Ų2888 Ų8815%0.14745%0.451CS..Hα-helixtrans-57.2-38.5176.2-176.355000112.9R15 V25 R27 K33 I41 P46R15-L29 VanDerWaalsContact NH1-CD2 3.25Å; V25-L29 PolarHBondContact O-N 2.92Å; R27-L29 PolarHBondContact O-N 3.42Å; L29-K33 HydrophobicContact CD1-CD 4.38Å; L29-K33 HydrophobicContact CD1-CG 4.24Å; L29-K33 HydrophobicContact CG-CD 4.49Å; L29-K33 WeakPolarHBondContact O-CB 3.45Å; L29-K33 WeakPolarHBondContact O-CG 3.48Å; L29-K33 PolarHBondContact O-N 3.42Å; L29-I41 HydrophobicContact CD1-CB 4.13Å; L29-I41 HydrophobicContact CD1-CG2 3.69Å; L29-P46 HydrophobicContact CB-CB 3.64Å; L29-P46 HydrophobicContact CB-CG 4Å; L29-P46 HydrophobicContact CD1-CB 4.3Å; L29-P46 HydrophobicContact CD1-CG 4.02Å; L29-P46 HydrophobicContact CG-CB 4.49Å; L29-P46 HydrophobicContact CG-CG 4.39Å
30R95.7Very high94.7Very high154 Ų15498.2 Ų98.258%0.58148%0.482SS*.Hα-helixtrans-66.8-40177.3-173.7-178.266.2177.82.1111.7G26 R27 M28 K34G26-R30 PolarHBondContact O-N 2.96Å; R27-R30 WeakPolarHBondContact O-CB 3.46Å; R27-R30 PolarHBondContact O-N 2.96Å; R27-R30 VanDerWaalsContact O-N 3.16Å; M28-R30 VanDerWaalsContact C-N 3.26Å; M28-R30 PolarHBondContact O-N 3.42Å; R30-K34 WeakPolarHBondContact O-CB 3.47Å; R30-K34 PolarHBondContact O-N 3.48Å; R30-K34 VanDerWaalsContact O-N 3.11Å
31Y96Very high94.8Very high124 Ų12496.5 Ų96.549%0.48646%0.456SS..Hα-helixtrans-71.2-45.3177.6-64-33.9000112.3R27 M28 K33 K34 G35R27-Y31 HydrophobicContact CG-CD2 4.2Å; R27-Y31 HydrophobicContact CG-CE2 3.55Å; R27-Y31 PolarHBondContact O-N 3.46Å; M28-Y31 PolarHBondContact O-N 3.28Å; M28-Y31 VanDerWaalsContact O-N 3.09Å; Y31-K33 VanDerWaalsContact C-N 3.33Å; Y31-K33 PolarHBondContact O-N 3.33Å; Y31-K34 PolarHBondContact O-N 3.33Å; Y31-G35 PolarHBondContact O-N 2.61Å
32I94.7Very high94.8Very high29 Ų2997.6 Ų97.615%0.14947%0.471CS..Hα-helixtrans-58.6-45.4176.2-60.4161.9000110.2M28 K34 G35 H36 I41 P46 M49M28-I32 VanDerWaalsContact O-CG1 3.29Å; M28-I32 WeakPolarHBondContact O-CG1 3.43Å; M28-I32 PolarHBondContact O-N 2.9Å; I32-K34 VanDerWaalsContact C-N 3.31Å; I32-K34 PolarHBondContact O-N 3.45Å; I32-G35 PolarHBondContact O-N 2.8Å; I32-H36 WeakPolarHBondContact O-CB 3.26Å; I32-H36 PolarHBondContact O-CD2 2.89Å; I32-H36 PolarHBondContact O-N 2.99Å; I32-I41 HydrophobicContact CB-CG2 4.49Å; I32-I41 HydrophobicContact CG2-CD1 3.7Å; I32-I41 HydrophobicContact CG2-CG1 3.92Å; I32-I41 HydrophobicContact CG2-CG2 3.8Å; I32-P46 HydrophobicContact CD1-CB 4.15Å; I32-M49 HydrophobicContact CD1-CB 4.08Å; I32-M49 HydrophobicContact CD1-CG 3.88Å
33K94.6Very high94.5Very high121 Ų12196.7 Ų96.753%0.52647%0.472SS..Hα-helixtrans-62.8-32.3174.8-78.6-171.9171.2-158.50114L29 Y31 I41L29-K33 HydrophobicContact CD1-CD 4.38Å; L29-K33 HydrophobicContact CD1-CG 4.24Å; L29-K33 HydrophobicContact CG-CD 4.49Å; L29-K33 WeakPolarHBondContact O-CB 3.45Å; L29-K33 WeakPolarHBondContact O-CG 3.48Å; L29-K33 PolarHBondContact O-N 3.42Å; Y31-K33 VanDerWaalsContact C-N 3.33Å; Y31-K33 PolarHBondContact O-N 3.33Å; K33-I41 HydrophobicContact CG-CB 4.34Å; K33-I41 HydrophobicContact CG-CG1 3.8Å
34K95.6Very high94.5Very high178 Ų17896.2 Ų96.277%0.77448%0.482SS*.Hα-helixtrans-73.3-39.1176.5-169.9-175.3176.1-172.60111.8R30 Y31 I32R30-K34 WeakPolarHBondContact O-CB 3.47Å; R30-K34 PolarHBondContact O-N 3.48Å; R30-K34 VanDerWaalsContact O-N 3.11Å; Y31-K34 PolarHBondContact O-N 3.33Å; I32-K34 VanDerWaalsContact C-N 3.31Å; I32-K34 PolarHBondContact O-N 3.45Å
35G93.6Very high94.5Very high54 Ų5496.1 Ų96.156%0.55749%0.485SS*.Hα-helixtrans-74.3-33.1177.600000113.7Y31 I32 P37Y31-G35 PolarHBondContact O-N 2.61Å; I32-G35 PolarHBondContact O-N 2.8Å; G35-P37 VanDerWaalsContact O-CD 3.31Å; G35-P37 WeakPolarHBondContact O-CD 3.38Å
36H92.4Very high94.5Very high104 Ų10496 Ų9648%0.48149%0.485SS..  trans-123.658.3-173.6-56.3-75.7000112.5I32 K38 Y39 I41I32-H36 WeakPolarHBondContact O-CB 3.26Å; I32-H36 PolarHBondContact O-CD2 2.89Å; I32-H36 PolarHBondContact O-N 2.99Å; H36-K38 PolarHBondContact O-N 2.97Å; H36-K38 VanDerWaalsContact O-N 3.13Å; H36-Y39 HydrophobicContact CB-CD2 4.11Å; H36-Y39 PolarHBondContact O-N 3.4Å; H36-Y39 VanDerWaalsContact O-N 3.08Å; H36-I41 HydrophobicContact CB-CD1 4.23Å
37P90.9Very high94.5Very high109 Ų10996.1 Ų96.171%0.70848%0.476SS*.THydrogen-bonded Turntrans-64.6-20.6-173.127.7-36.4000114G35 Y39G35-P37 VanDerWaalsContact O-CD 3.31Å; G35-P37 WeakPolarHBondContact O-CD 3.38Å; P37-Y39 VanDerWaalsContact C-N 3.33Å
38K94.6Very high94.6Very high200 Ų20097.4 Ų97.487%0.8748%0.482SS*.THydrogen-bonded Turntrans-77.2-12.1176.8-63.8-175.1177.4-176.90114H36H36-K38 PolarHBondContact O-N 2.97Å; H36-K38 VanDerWaalsContact O-N 3.13Å
39Y93.1Very high94.6Very high171 Ų171100 Ų10067%0.67150%0.495SS*.SBendtrans-114.5138.9-169.6-68.4-80.1000113.3H36 P37 I41H36-Y39 HydrophobicContact CB-CD2 4.11Å; H36-Y39 PolarHBondContact O-N 3.4Å; H36-Y39 VanDerWaalsContact O-N 3.08Å; P37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-I41 PolarHBondContact O-N 3.25Å; Y39-I41 VanDerWaalsContact O-N 3.09Å
40R94.5Very high94.6Very high252 Ų25298.7 Ų98.795%0.95149%0.488SS*.  trans-77.993.5174.6-173.6179.1179.1116.5-5110.4G42R40-G42 PolarHBondContact O-N 3.19Å
41I94.7Very high94.6Very high36 Ų3693.3 Ų93.319%0.18548%0.476CS..  trans-66.5117.2-178.1-47.4-51.2000111.5L29 I32 K33 H36 Y39 A45L29-I41 HydrophobicContact CD1-CB 4.13Å; L29-I41 HydrophobicContact CD1-CG2 3.69Å; I32-I41 HydrophobicContact CB-CG2 4.49Å; I32-I41 HydrophobicContact CG2-CD1 3.7Å; I32-I41 HydrophobicContact CG2-CG1 3.92Å; I32-I41 HydrophobicContact CG2-CG2 3.8Å; K33-I41 HydrophobicContact CG-CB 4.34Å; K33-I41 HydrophobicContact CG-CG1 3.8Å; H36-I41 HydrophobicContact CB-CD1 4.23Å; Y39-I41 PolarHBondContact O-N 3.25Å; Y39-I41 VanDerWaalsContact O-N 3.09Å; I41-A45 HydrophobicContact CG2-CB 4Å
42G94.4Very high94.5Very high43 Ų4389.7 Ų89.744%0.44347%0.467SS..  trans-68.1161.9175.800000113.5R40 G44 P46R40-G42 PolarHBondContact O-N 3.19Å; G42-G44 PolarHBondContact O-N 3.07Å; G42-P46 VanDerWaalsContact O-CD 3.26Å; G42-P46 WeakPolarHBondContact O-CD 3.45Å
43V89.7Confident94.6Very high130 Ų13091.4 Ų91.479%0.78848%0.476SS*.SBendtrans-70.5-27.2-173-640000114.3P46V43-P46 WeakPolarHBondContact O-CD 3.43Å; V43-P46 WeakPolarHBondContact O-CG 3.37Å
44G94.4Very high94.6Very high44 Ų4487.4 Ų87.445%0.45446%0.459SS..SBendtrans-78.9-31.4177.700000114.4G42 V47 Y48G42-G44 PolarHBondContact O-N 3.07Å; G44-V47 WeakPolarHBondContact O-CA 3.17Å; G44-V47 WeakPolarHBondContact O-CB 3.49Å; G44-V47 PolarHBondContact O-N 3.24Å; G44-Y48 PolarHBondContact O-N 3.33Å
45A95.9Very high94.5Very high40 Ų4085.7 Ų85.733%0.33145%0.449SS..Hα-helixtrans-51.6-45.8-179.600000114.9I41 V47 M49I41-A45 HydrophobicContact CG2-CB 4Å; A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 PolarHBondContact O-N 2.88Å; A45-M49 WeakPolarHBondContact O-CB 3.3Å; A45-M49 VanDerWaalsContact O-CG 3.31Å; A45-M49 WeakPolarHBondContact O-CG 3.34Å; A45-M49 PolarHBondContact O-N 3.02Å
46P96.6Very high94.5Very high1 Ų185.4 Ų85.41%0.00644%0.435CS..Hα-helixtrans-74.6-12.9175.733.5-41.2000114.7V25 M28 L29 I32 G42 V43 A50V25-P46 HydrophobicContact CG1-CB 4.14Å; V25-P46 HydrophobicContact CG1-CG 4.28Å; M28-P46 HydrophobicContact CB-CB 4.21Å; L29-P46 HydrophobicContact CB-CB 3.64Å; L29-P46 HydrophobicContact CB-CG 4Å; L29-P46 HydrophobicContact CD1-CB 4.3Å; L29-P46 HydrophobicContact CD1-CG 4.02Å; L29-P46 HydrophobicContact CG-CB 4.49Å; L29-P46 HydrophobicContact CG-CG 4.39Å; I32-P46 HydrophobicContact CD1-CB 4.15Å; G42-P46 VanDerWaalsContact O-CD 3.26Å; G42-P46 WeakPolarHBondContact O-CD 3.45Å; V43-P46 WeakPolarHBondContact O-CD 3.43Å; V43-P46 WeakPolarHBondContact O-CG 3.37Å; P46-A50 WeakPolarHBondContact O-CB 3.44Å; P46-A50 PolarHBondContact O-N 2.84Å
47V96.4Very high94.7Very high48 Ų4883 Ų8329%0.29143%0.428SS..Hα-helixtrans-82-50.9171.8175.50000109A19 V25 G44 A45 M49 A50 A51A19-V47 HydrophobicContact CB-CG1 3.76Å; A19-V47 HydrophobicContact CB-CG2 4.14Å; V25-V47 HydrophobicContact CG1-CG2 3.77Å; V25-V47 HydrophobicContact CG2-CG2 4.34Å; G44-V47 WeakPolarHBondContact O-CA 3.17Å; G44-V47 WeakPolarHBondContact O-CB 3.49Å; G44-V47 PolarHBondContact O-N 3.24Å; A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 PolarHBondContact O-N 2.88Å; V47-M49 PolarHBondContact O-N 2.93Å; V47-A50 WeakPolarHBondContact O-CA 3.42Å; V47-A50 WeakPolarHBondContact O-CB 3.48Å; V47-A50 PolarHBondContact O-N 3.24Å; V47-A51 PolarHBondContact O-N 2.78Å
48Y96.6Very high94.9Very high158 Ų15880.5 Ų80.562%0.6242%0.416SS*.Hα-helixtrans-54-50.7174.6-179.5-98.1000111.8G44 A50 A51 V52G44-Y48 PolarHBondContact O-N 3.33Å; Y48-A50 PolarHBondContact O-N 2.97Å; Y48-A51 PolarHBondContact O-N 3.07Å; Y48-V52 HydrophobicContact CD1-CG2 4.23Å; Y48-V52 HydrophobicContact CD2-CG2 4.36Å; Y48-V52 HydrophobicContact CE1-CG2 3.85Å; Y48-V52 HydrophobicContact CE2-CG2 3.99Å; Y48-V52 HydrophobicContact CG-CG2 4.47Å; Y48-V52 WeakPolarHBondContact O-CG2 3.49Å; Y48-V52 PolarHBondContact O-N 3.36Å
49M95.7Very high94.8Very high76 Ų7674 Ų7437%0.37439%0.388SS..Hα-helixtrans-66.2-20.1176.8-68-59-58.300114.1M28 I32 A45 V47 L53M28-M49 HydrophobicContact CE-CB 3.95Å; I32-M49 HydrophobicContact CD1-CB 4.08Å; I32-M49 HydrophobicContact CD1-CG 3.88Å; A45-M49 WeakPolarHBondContact O-CB 3.3Å; A45-M49 VanDerWaalsContact O-CG 3.31Å; A45-M49 WeakPolarHBondContact O-CG 3.34Å; A45-M49 PolarHBondContact O-N 3.02Å; V47-M49 PolarHBondContact O-N 2.93Å; M49-L53 WeakPolarHBondContact O-CG 3.46Å
50A96.6Very high95Very high0 Ų067.4 Ų67.40%036%0.364CS..Hα-helixtrans-78.5-48.1171.200000110.6V21 F23 V25 M28 P46 V47 Y48 L53 E54V21-A50 HydrophobicContact CG2-CB 4.23Å; F23-A50 HydrophobicContact CB-CB 4.05Å; V25-A50 HydrophobicContact CG2-CB 3.77Å; M28-A50 HydrophobicContact CG-CB 4.11Å; P46-A50 WeakPolarHBondContact O-CB 3.44Å; P46-A50 PolarHBondContact O-N 2.84Å; V47-A50 WeakPolarHBondContact O-CA 3.42Å; V47-A50 WeakPolarHBondContact O-CB 3.48Å; V47-A50 PolarHBondContact O-N 3.24Å; Y48-A50 PolarHBondContact O-N 2.97Å; A50-L53 PolarHBondContact O-N 2.84Å; A50-E54 VanDerWaalsContact O-CB 3.31Å; A50-E54 WeakPolarHBondContact O-CB 3.42Å; A50-E54 PolarHBondContact O-N 3.04Å
51A94.9Very high95.1Very high41 Ų4159.8 Ų59.834%0.33934%0.342SS..Hα-helixtrans-61-44.7179.200000112.8V21 V47 Y48 L53 E54 Y55V21-A51 HydrophobicContact CG1-CB 4.1Å; V47-A51 PolarHBondContact O-N 2.78Å; Y48-A51 PolarHBondContact O-N 3.07Å; A51-L53 PolarHBondContact O-N 2.84Å; A51-E54 PolarHBondContact O-N 3.08Å; A51-Y55 WeakPolarHBondContact O-CB 3.5Å; A51-Y55 PolarHBondContact O-N 2.94Å
52V95.4Very high95.1Very high48 Ų4864.2 Ų64.229%0.29136%0.362SS..Hα-helixtrans-63.3-42.4178172.50000111.7Y48 L56Y48-V52 HydrophobicContact CD1-CG2 4.23Å; Y48-V52 HydrophobicContact CD2-CG2 4.36Å; Y48-V52 HydrophobicContact CE1-CG2 3.85Å; Y48-V52 HydrophobicContact CE2-CG2 3.99Å; Y48-V52 HydrophobicContact CG-CG2 4.47Å; Y48-V52 WeakPolarHBondContact O-CG2 3.49Å; Y48-V52 PolarHBondContact O-N 3.36Å; V52-L56 HydrophobicContact CG1-CD1 3.97Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 2.96Å
53L95.3Very high95.1Very high65 Ų6564.4 Ų64.434%0.3435%0.353SS..Hα-helixtrans-71.2-31.5176-70.8-174.4000112.9F23 M28 M49 A50 A51 T57F23-L53 HydrophobicContact CD2-CB 3.9Å; F23-L53 HydrophobicContact CE2-CB 3.83Å; M28-L53 HydrophobicContact CE-CD1 3.45Å; M28-L53 VanDerWaalsContact CE-CD1 3.45Å; M28-L53 HydrophobicContact CE-CG 4.47Å; M28-L53 HydrophobicContact SD-CD1 4.18Å; M49-L53 WeakPolarHBondContact O-CG 3.46Å; A50-L53 PolarHBondContact O-N 2.84Å; A51-L53 PolarHBondContact O-N 2.84Å; L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-N 3.32Å; L53-T57 PolarHBondContact O-OG1 2.88Å
54E95.5Very high95.5Very high37 Ų3758.2 Ų58.217%0.17332%0.315CS..Hα-helixtrans-66.2-48.3174.9-172.3156.5140.800111.2V21 I22 F23 A50 A51 T57 A58V21-E54 WeakPolarHBondContact CB-OE2 3.29Å; I22-E54 WeakPolarHBondContact CA-OE2 3.49Å; I22-E54 VanDerWaalsContact N-CD 3.29Å; I22-E54 PolarHBondContact N-OE1 2.73Å; I22-E54 PolarHBondContact N-OE2 3.17Å; F23-E54 HydrophobicContact CB-CB 4.34Å; F23-E54 VanDerWaalsContact CB-OE2 3.25Å; F23-E54 WeakPolarHBondContact CB-OE2 3.35Å; F23-E54 HydrophobicContact CD1-CB 3.79Å; F23-E54 HydrophobicContact CD1-CG 3.81Å; F23-E54 VanDerWaalsContact CD1-OE2 3.27Å; F23-E54 WeakPolarHBondContact CD1-OE2 3.33Å; F23-E54 HydrophobicContact CD2-CB 4.45Å; F23-E54 HydrophobicContact CE1-CB 4.2Å; F23-E54 HydrophobicContact CE1-CG 4.2Å; F23-E54 HydrophobicContact CG-CB 3.94Å; F23-E54 HydrophobicContact CG-CG 4.42Å; F23-E54 PolarHBondContact N-OE2 2.75Å; A50-E54 VanDerWaalsContact O-CB 3.31Å; A50-E54 WeakPolarHBondContact O-CB 3.42Å; A50-E54 PolarHBondContact O-N 3.04Å; A51-E54 PolarHBondContact O-N 3.08Å; E54-T57 PolarHBondContact O-N 2.79Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 2.84Å
55Y93.9Very high95.6Very high142 Ų14257.4 Ų57.456%0.55731%0.306SS*.Hα-helixtrans-57.9-54.6174.6174-115.7000111.9A51 T57 A58 E59A51-Y55 WeakPolarHBondContact O-CB 3.5Å; A51-Y55 PolarHBondContact O-N 2.94Å; Y55-T57 PolarHBondContact O-N 2.76Å; Y55-A58 WeakPolarHBondContact O-CB 3.44Å; Y55-A58 PolarHBondContact O-N 3.37Å; Y55-E59 PolarHBondContact O-N 3.19Å; Y55-E59 PolarHBondContact OH-OE2 3.26Å
56L93.9Very high95.4Very high49 Ų4957.7 Ų57.726%0.25730%0.303SS..Hα-helixtrans-60.7-32.3178.3-69.8171.7000112.8V52 I60 L94V52-L56 HydrophobicContact CG1-CD1 3.97Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 2.96Å; L56-I60 WeakPolarHBondContact O-CB 3.36Å; L56-I60 WeakPolarHBondContact O-CD1 3.48Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.34Å; L56-L94 HydrophobicContact CD1-CD2 4.31Å; L56-L94 HydrophobicContact CD2-CD2 3.86Å
57T96Very high95.3Very high54 Ų5458.3 Ų58.333%0.33131%0.308SS..Hα-helixtrans-74.9-36.2175.6-56.40000111.7F23 L53 E54 Y55 L61F23-T57 HydrophobicContact CZ-CG2 4.04Å; F23-T57 WeakPolarHBondContact CZ-OG1 3.33Å; L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-N 3.32Å; L53-T57 PolarHBondContact O-OG1 2.88Å; E54-T57 PolarHBondContact O-N 2.79Å; Y55-T57 PolarHBondContact O-N 2.76Å; T57-L61 HydrophobicContact CG2-CD1 3.81Å; T57-L61 HydrophobicContact CG2-CG 4.26Å; T57-L61 VanDerWaalsContact O-CB 3.28Å; T57-L61 WeakPolarHBondContact O-CB 3.34Å; T57-L61 WeakPolarHBondContact O-CG 3.22Å; T57-L61 PolarHBondContact O-N 3.05Å
58A94.3Very high95.3Very high56 Ų5656.2 Ų56.246%0.46330%0.295SS..Hα-helixtrans-62.9-50.5175.800000110.9E54 Y55 I60 L61 E62E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 2.84Å; Y55-A58 WeakPolarHBondContact O-CB 3.44Å; Y55-A58 PolarHBondContact O-N 3.37Å; A58-I60 PolarHBondContact O-N 2.89Å; A58-L61 CarbonylContact O-C 3.46Å; A58-L61 PolarHBondContact O-N 2.79Å; A58-L61 VanDerWaalsContact O-N 3.09Å; A58-E62 PolarHBondContact O-N 3.05Å
59E93.4Very high95.2Very high62 Ų6256 Ų5629%0.2929%0.293SS..Hα-helixtrans-55.9-51.7178.4-162.566.1-111.500111.8Y55 L61 E62 L63Y55-E59 PolarHBondContact O-N 3.19Å; Y55-E59 PolarHBondContact OH-OE2 3.26Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.29Å; E59-E62 PolarHBondContact O-N 3.02Å; E59-L63 HydrophobicContact CG-CD1 4.36Å; E59-L63 WeakPolarHBondContact O-CG 3.48Å; E59-L63 PolarHBondContact O-N 3.01Å
60I96.1Very high94.9Very high33 Ų3357.4 Ų57.417%0.16930%0.303CS..Hα-helixtrans-60.5-37177.3-68.3168.4000111.6L56 A58 A64 I81 V85 L91 L95L56-I60 WeakPolarHBondContact O-CB 3.36Å; L56-I60 WeakPolarHBondContact O-CD1 3.48Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.34Å; A58-I60 PolarHBondContact O-N 2.89Å; I60-A64 WeakPolarHBondContact O-CB 3.42Å; I60-A64 PolarHBondContact O-N 3.37Å; I60-I81 HydrophobicContact CG2-CG2 3.94Å; I60-V85 HydrophobicContact CG1-CG2 4.48Å; I60-V85 HydrophobicContact CG2-CG2 4.39Å; I60-L91 HydrophobicContact CD1-CD2 4.09Å; I60-L91 HydrophobicContact CG1-CD1 3.86Å; I60-L91 HydrophobicContact CG1-CD2 3.77Å; I60-L91 HydrophobicContact CG1-CG 4.46Å; I60-L95 HydrophobicContact CD1-CD1 4.12Å
61L96.7Very high94.7Very high92 Ų9261.3 Ų61.348%0.48232%0.323SS..Hα-helixtrans-76.9-32.2179.2-74.7176.2000113.4T57 A58 E59 G65T57-L61 HydrophobicContact CG2-CD1 3.81Å; T57-L61 HydrophobicContact CG2-CG 4.26Å; T57-L61 VanDerWaalsContact O-CB 3.28Å; T57-L61 WeakPolarHBondContact O-CB 3.34Å; T57-L61 WeakPolarHBondContact O-CG 3.22Å; T57-L61 PolarHBondContact O-N 3.05Å; A58-L61 CarbonylContact O-C 3.46Å; A58-L61 PolarHBondContact O-N 2.79Å; A58-L61 VanDerWaalsContact O-N 3.09Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.29Å; L61-G65 WeakPolarHBondContact O-CA 3.4Å; L61-G65 PolarHBondContact O-N 2.96Å
62E94.6Very high94.7Very high130 Ų13068.4 Ų68.461%0.60735%0.346SS*.Hα-helixtrans-68.7-51.9174.9179158.3175.300110.5A58 E59 A64 G65 N66A58-E62 PolarHBondContact O-N 3.05Å; E59-E62 PolarHBondContact O-N 3.02Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 3.14Å; E62-G65 CarbonylContact O-C 3.57Å; E62-G65 WeakPolarHBondContact O-CA 3.37Å; E62-G65 PolarHBondContact O-N 3.36Å; E62-N66 PolarHBondContact O-N 3.15Å; E62-N66 PolarHBondContact O-ND2 3.38Å
63L95.4Very high94.6Very high47 Ų4772 Ų7225%0.24636%0.358CS..Hα-helixtrans-60.9-40.5175.8-64.2174.9000111.8E59 G65 N66 A67 A84 D88 L91E59-L63 HydrophobicContact CG-CD1 4.36Å; E59-L63 WeakPolarHBondContact O-CG 3.48Å; E59-L63 PolarHBondContact O-N 3.01Å; L63-G65 VanDerWaalsContact C-N 3.32Å; L63-G65 PolarHBondContact O-N 3.13Å; L63-N66 PolarHBondContact O-N 2.9Å; L63-A67 WeakPolarHBondContact O-CB 3.2Å; L63-A67 PolarHBondContact O-N 2.89Å; L63-A84 HydrophobicContact CB-CB 3.64Å; L63-D88 HydrophobicContact CD1-CB 4.22Å; L63-L91 HydrophobicContact CD1-CD1 3.67Å
64A96.9Very high94.5Very high0 Ų073.5 Ų73.50%039%0.39CS..Hα-helixtrans-72.8-23.4174.700000113.4I60 E62 A68 V76 H80 I81 A84I60-A64 WeakPolarHBondContact O-CB 3.42Å; I60-A64 PolarHBondContact O-N 3.37Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 3.14Å; A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.34Å; A64-A68 PolarHBondContact O-N 3.26Å; A64-V76 HydrophobicContact CB-CG1 3.81Å; A64-H80 HydrophobicContact CB-CB 4.41Å; A64-H80 WeakPolarHBondContact O-CB 3.45Å; A64-I81 HydrophobicContact CB-CG1 3.97Å; A64-A84 HydrophobicContact CB-CB 4.05Å
65G97.3Very high94.6Very high26 Ų2681.3 Ų81.327%0.26842%0.418SS..Hα-helixtrans-71.5-46.4171.300000111.7L61 E62 L63 A68 R69L61-G65 WeakPolarHBondContact O-CA 3.4Å; L61-G65 PolarHBondContact O-N 2.96Å; E62-G65 CarbonylContact O-C 3.57Å; E62-G65 WeakPolarHBondContact O-CA 3.37Å; E62-G65 PolarHBondContact O-N 3.36Å; L63-G65 VanDerWaalsContact C-N 3.32Å; L63-G65 PolarHBondContact O-N 3.13Å; G65-A68 WeakPolarHBondContact O-CB 3.31Å; G65-A68 PolarHBondContact O-N 3.43Å; G65-A68 VanDerWaalsContact O-N 3.16Å; G65-R69 PolarHBondContact O-N 3.43Å
66N92.6Very high94.7Very high47 Ų4777.2 Ų77.225%0.25141%0.408SS..Hα-helixtrans-56.1-54.6170.5-71-41.8000110.1E62 L63 A68 R69 D70E62-N66 PolarHBondContact O-N 3.15Å; E62-N66 PolarHBondContact O-ND2 3.38Å; L63-N66 PolarHBondContact O-N 2.9Å; N66-A68 PolarHBondContact O-N 2.71Å; N66-A68 VanDerWaalsContact O-N 3.11Å; N66-R69 WeakPolarHBondContact O-CB 3.46Å; N66-R69 PolarHBondContact O-N 2.95Å; N66-R69 PolarHBondContact OD1-NH1 2.71Å; N66-R69 PolarHBondContact OD1-NH2 3.21Å; N66-D70 PolarHBondContact O-N 2.93Å
67A92.8Very high94.8Very high14 Ų1477.2 Ų77.212%0.11641%0.409CS..Hα-helixtrans-59.4-27176.500000113.9L63 N71 H80 L83L63-A67 WeakPolarHBondContact O-CB 3.2Å; L63-A67 PolarHBondContact O-N 2.89Å; A67-N71 WeakPolarHBondContact O-CB 3.22Å; A67-N71 PolarHBondContact O-N 3.39Å; A67-N71 PolarHBondContact O-ND2 3.24Å; A67-H80 HydrophobicContact CB-CB 4.2Å; A67-L83 HydrophobicContact CB-CB 4.33Å
68A96.4Very high94.8Very high3 Ų377.3 Ų77.33%0.02541%0.411CS..Hα-helixtrans-74.1-44.217300000112.5A64 G65 N66 D70 N71 K72 K73 V76 H80A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.34Å; A64-A68 PolarHBondContact O-N 3.26Å; G65-A68 WeakPolarHBondContact O-CB 3.31Å; G65-A68 PolarHBondContact O-N 3.43Å; G65-A68 VanDerWaalsContact O-N 3.16Å; N66-A68 PolarHBondContact O-N 2.71Å; N66-A68 VanDerWaalsContact O-N 3.11Å; A68-D70 VanDerWaalsContact C-N 3.34Å; A68-D70 PolarHBondContact O-N 3.18Å; A68-N71 CarbonylContact O-C 3.52Å; A68-N71 PolarHBondContact O-N 2.87Å; A68-K72 PolarHBondContact O-N 2.95Å; A68-K73 CarbonylContact C-O 3.45Å; A68-K73 PolarHBondContact O-N 3.37Å; A68-V76 HydrophobicContact CB-CG2 4.22Å; A68-H80 WeakPolarHBondContact CA-ND1 3.42Å; A68-H80 HydrophobicContact CB-CB 4.38Å; A68-H80 WeakPolarHBondContact CB-ND1 3.33Å
69R94.4Very high94.9Very high153 Ų15377.9 Ų77.958%0.57740%0.401SS*.Hα-helixtrans-59.1-45176.2-178.7-173.963.4-132.6-11.9111.1G65 N66 N71 K72G65-R69 PolarHBondContact O-N 3.43Å; N66-R69 WeakPolarHBondContact O-CB 3.46Å; N66-R69 PolarHBondContact O-N 2.95Å; N66-R69 PolarHBondContact OD1-NH1 2.71Å; N66-R69 PolarHBondContact OD1-NH2 3.21Å; R69-N71 VanDerWaalsContact C-N 3.34Å; R69-N71 PolarHBondContact O-N 3.22Å; R69-K72 VanDerWaalsContact O-CA 3.26Å; R69-K72 WeakPolarHBondContact O-CA 3.4Å; R69-K72 PolarHBondContact O-N 3.1Å
70D90.9Very high95Very high107 Ų10775.4 Ų75.457%0.57239%0.389SS*.Hα-helixtrans-69.4-34.9-176.2-52.7-20.4000111.3N66 A68 K72N66-D70 PolarHBondContact O-N 2.93Å; A68-D70 VanDerWaalsContact C-N 3.34Å; A68-D70 PolarHBondContact O-N 3.18Å; D70-K72 PolarHBondContact O-N 2.91Å
71N90.9Very high95Very high81 Ų8176.2 Ų76.243%0.43339%0.394SS..THydrogen-bonded Turntrans-74.15.5167.9-77.9-71.2000113.9A67 A68 R69 K73A67-N71 WeakPolarHBondContact O-CB 3.22Å; A67-N71 PolarHBondContact O-N 3.39Å; A67-N71 PolarHBondContact O-ND2 3.24Å; A68-N71 CarbonylContact O-C 3.52Å; A68-N71 PolarHBondContact O-N 2.87Å; R69-N71 VanDerWaalsContact C-N 3.34Å; R69-N71 PolarHBondContact O-N 3.22Å; N71-K73 HydrophobicContact CB-CG 4.28Å; N71-K73 PolarHBondContact O-N 3.25Å
72K95Very high95Very high190 Ų19073.4 Ų73.483%0.82638%0.379SS*.THydrogen-bonded Turntrans56.243.5-179.2-55.9-177.9-177.9-178.10112.8A68 R69 D70A68-K72 PolarHBondContact O-N 2.95Å; R69-K72 VanDerWaalsContact O-CA 3.26Å; R69-K72 WeakPolarHBondContact O-CA 3.4Å; R69-K72 PolarHBondContact O-N 3.1Å; D70-K72 PolarHBondContact O-N 2.91Å
73K94.3Very high94.9Very high123 Ų12368.1 Ų68.154%0.53536%0.355SS..  trans-121.5117.8178.6-56-56.4173-169.60111.5A68 N71 R75A68-K73 CarbonylContact C-O 3.45Å; A68-K73 PolarHBondContact O-N 3.37Å; N71-K73 HydrophobicContact CB-CG 4.28Å; N71-K73 PolarHBondContact O-N 3.25Å; K73-R75 PolarHBondContact O-N 3.5Å
74G92.7Very high94.8Very high98 Ų9866.2 Ų66.2100%1.0135%0.346SS*.SBendtrans-71.526.3168.900000115.1
75R97Very high94.7Very high200 Ų20066.6 Ų66.676%0.75535%0.348SS*.SBendtrans-149.6124.4178.1-176177.9-69.1-173.5-0.1109.8K73 H80K73-R75 PolarHBondContact O-N 3.5Å; R75-H80 PolarHBondContact O-CE1 3.14Å; R75-H80 PolarHBondContact O-ND1 3.2Å
76V96.6Very high94.4Very high57 Ų5766.4 Ų66.435%0.34534%0.344SS..  trans-65.7136.7168.7-178.80000109.2A64 A68 H80 I81A64-V76 HydrophobicContact CB-CG1 3.81Å; A68-V76 HydrophobicContact CB-CG2 4.22Å; V76-H80 HydrophobicContact CG1-CB 4.43Å; V76-I81 HydrophobicContact CG1-CD1 4.44Å; V76-I81 HydrophobicContact CG1-CG1 3.99Å
77T96.1Very high94.1Very high48 Ų4870.1 Ų70.129%0.29436%0.364SS..  trans-130.7163.5179.6670000109.2R79 H80 I81T77-R79 PolarHBondContact O-N 3.02Å; T77-R79 WeakPolarHBondContact OG1-CB 3.37Å; T77-R79 PolarHBondContact OG1-N 2.93Å; T77-H80 PolarHBondContact N-ND1 3Å; T77-H80 PolarHBondContact O-N 3.42Å; T77-H80 PolarHBondContact OG1-CE1 2.88Å; T77-H80 PolarHBondContact OG1-ND1 3.41Å; T77-I81 PolarHBondContact O-N 3.3Å; T77-I81 VanDerWaalsContact O-N 3.15Å
78P96.9Very high94.1Very high56 Ų5672 Ų7236%0.36437%0.372SS..Hα-helixtrans-56.3-26.1175.5-25.635.3000113.3I81 L82 I100 A101P78-I81 PolarHBondContact O-N 2.82Å; P78-L82 PolarHBondContact O-N 3.4Å; P78-I100 HydrophobicContact CB-CG2 4.24Å; P78-A101 WeakPolarHBondContact CB-O 3.35Å
79R95.3Very high93.8Very high69 Ų6979.7 Ų79.726%0.2641%0.407SS..Hα-helixtrans-59.8-47.8170177.657.1177.5-179.8-0.9112.2T77 I81 L82 L83 G103 V105T77-R79 PolarHBondContact O-N 3.02Å; T77-R79 WeakPolarHBondContact OG1-CB 3.37Å; T77-R79 PolarHBondContact OG1-N 2.93Å; R79-I81 VanDerWaalsContact C-N 3.32Å; R79-L82 PolarHBondContact O-N 3.02Å; R79-L83 HydrophobicContact CG-CD1 4.3Å; R79-L83 WeakPolarHBondContact O-CG 3.39Å; R79-L83 PolarHBondContact O-N 3.41Å; R79-G103 WeakPolarHBondContact CD-O 3.29Å; R79-G103 PolarHBondContact NH1-O 3.29Å; R79-V105 VanDerWaalsContact CZ-O 3.24Å; R79-V105 PolarHBondContact NH1-O 2.83Å; R79-V105 PolarHBondContact NH2-O 2.94Å
80H96.7Very high93.6Very high9 Ų979.9 Ų79.94%0.04242%0.415CS..Hα-helixtrans-69.9-32.9-178-49.3149.7000111.3A64 A67 A68 R75 V76 T77 L83 A84A64-H80 HydrophobicContact CB-CB 4.41Å; A64-H80 WeakPolarHBondContact O-CB 3.45Å; A67-H80 HydrophobicContact CB-CB 4.2Å; A68-H80 WeakPolarHBondContact CA-ND1 3.42Å; A68-H80 HydrophobicContact CB-CB 4.38Å; A68-H80 WeakPolarHBondContact CB-ND1 3.33Å; R75-H80 PolarHBondContact O-CE1 3.14Å; R75-H80 PolarHBondContact O-ND1 3.2Å; V76-H80 HydrophobicContact CG1-CB 4.43Å; T77-H80 PolarHBondContact N-ND1 3Å; T77-H80 PolarHBondContact O-N 3.42Å; T77-H80 PolarHBondContact OG1-CE1 2.88Å; T77-H80 PolarHBondContact OG1-ND1 3.41Å; H80-L83 PolarHBondContact O-N 2.85Å; H80-A84 WeakPolarHBondContact O-CB 3.39Å; H80-A84 PolarHBondContact O-N 2.85Å
81I96.4Very high93.7Very high51 Ų5175.1 Ų75.126%0.26239%0.389SS..Hα-helixtrans-65.8-43.6172.5-56.1173.4000110.9I60 A64 V76 T77 P78 R79 A84 V85 I100I60-I81 HydrophobicContact CG2-CG2 3.94Å; A64-I81 HydrophobicContact CB-CG1 3.97Å; V76-I81 HydrophobicContact CG1-CD1 4.44Å; V76-I81 HydrophobicContact CG1-CG1 3.99Å; T77-I81 PolarHBondContact O-N 3.3Å; T77-I81 VanDerWaalsContact O-N 3.15Å; P78-I81 PolarHBondContact O-N 2.82Å; R79-I81 VanDerWaalsContact C-N 3.32Å; I81-A84 PolarHBondContact O-N 3.02Å; I81-V85 HydrophobicContact CG2-CG2 4.28Å; I81-V85 WeakPolarHBondContact O-CB 3.06Å; I81-V85 WeakPolarHBondContact O-CG2 3.38Å; I81-V85 PolarHBondContact O-N 3.36Å; I81-I100 HydrophobicContact CG2-CD1 4.17Å
82L94.8Very high93.8Very high32 Ų3275.2 Ų75.217%0.16839%0.39CS..Hα-helixtrans-62.9-42.4174.3-179.668.6000112.1P78 R79 A86 I100 G103 G104P78-L82 PolarHBondContact O-N 3.4Å; R79-L82 PolarHBondContact O-N 3.02Å; L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 3.3Å; L82-I100 HydrophobicContact CB-CB 4.48Å; L82-I100 HydrophobicContact CB-CD1 4.22Å; L82-I100 HydrophobicContact CB-CG2 4.34Å; L82-I100 HydrophobicContact CD1-CB 4.39Å; L82-I100 HydrophobicContact CD1-CD1 4.01Å; L82-G103 VanDerWaalsContact CD2-O 3.28Å; L82-G103 WeakPolarHBondContact CD2-O 3.41Å; L82-G104 VanDerWaalsContact CD2-O 3.23Å; L82-G104 WeakPolarHBondContact CD2-O 3.47Å
83L92.9Very high93.7Very high20 Ų2071.4 Ų71.411%0.10538%0.375CS..Hα-helixtrans-63.6-41.8177.4-70177.3000111.8A67 R79 H80 N87 L106A67-L83 HydrophobicContact CB-CB 4.33Å; R79-L83 HydrophobicContact CG-CD1 4.3Å; R79-L83 WeakPolarHBondContact O-CG 3.39Å; R79-L83 PolarHBondContact O-N 3.41Å; H80-L83 PolarHBondContact O-N 2.85Å; L83-N87 WeakPolarHBondContact O-CB 3.33Å; L83-N87 PolarHBondContact O-N 3.3Å; L83-N87 VanDerWaalsContact O-N 3.16Å; L83-N87 PolarHBondContact O-ND2 3.4Å; L83-L106 HydrophobicContact CD2-CD2 4.01Å
84A94.5Very high93.6Very high7 Ų770.6 Ų70.66%0.05838%0.376CS..Hα-helixtrans-61.9-58.4175.200000111.6L63 A64 H80 I81 A86 N87 D88L63-A84 HydrophobicContact CB-CB 3.64Å; A64-A84 HydrophobicContact CB-CB 4.05Å; H80-A84 WeakPolarHBondContact O-CB 3.39Å; H80-A84 PolarHBondContact O-N 2.85Å; I81-A84 PolarHBondContact O-N 3.02Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 2.9Å; A84-N87 PolarHBondContact O-N 3.12Å; A84-D88 PolarHBondContact O-N 3.34Å
85V94.4Very high93.6Very high8 Ų868.3 Ų68.35%0.04834%0.34CS..Hα-helixtrans-60.4-34.5-176.5167.90000112.7I60 I81 L91 N92 L95 I100I60-V85 HydrophobicContact CG1-CG2 4.48Å; I60-V85 HydrophobicContact CG2-CG2 4.39Å; I81-V85 HydrophobicContact CG2-CG2 4.28Å; I81-V85 WeakPolarHBondContact O-CB 3.06Å; I81-V85 WeakPolarHBondContact O-CG2 3.38Å; I81-V85 PolarHBondContact O-N 3.36Å; V85-L91 HydrophobicContact CG1-CB 4.44Å; V85-N92 VanDerWaalsContact O-CA 3.28Å; V85-N92 WeakPolarHBondContact O-CA 3.34Å; V85-N92 VanDerWaalsContact O-CB 3.27Å; V85-N92 WeakPolarHBondContact O-CB 3.21Å; V85-N92 PolarHBondContact O-N 3.41Å; V85-L95 HydrophobicContact CB-CD1 4.39Å; V85-L95 HydrophobicContact CG1-CB 4Å; V85-L95 HydrophobicContact CG1-CD1 3.68Å; V85-L95 HydrophobicContact CG1-CG 4.39Å; V85-L95 HydrophobicContact CG2-CD1 3.73Å; V85-I100 HydrophobicContact CB-CD1 4.19Å; V85-I100 HydrophobicContact CG1-CD1 4.34Å; V85-I100 HydrophobicContact CG2-CD1 4.27Å
86A89.9Confident93.4Very high21 Ų2165.8 Ų65.817%0.17434%0.335CS..Hα-helixtrans-96.5-6.4-174.600000114.6L82 A84 L106L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 3.3Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 2.9Å; A86-L106 HydrophobicContact CB-CD1 3.8Å; A86-L106 HydrophobicContact CB-CD2 4.19Å; A86-L106 HydrophobicContact CB-CG 4.1Å
87N87.8Confident93Very high125 Ų12567 Ų6767%0.66836%0.358SS*.Hα-helixtrans-95-20.9168.8-71.3-10.4000112.5L83 A84L83-N87 WeakPolarHBondContact O-CB 3.33Å; L83-N87 PolarHBondContact O-N 3.3Å; L83-N87 VanDerWaalsContact O-N 3.16Å; L83-N87 PolarHBondContact O-ND2 3.4Å; A84-N87 PolarHBondContact O-N 3.12Å
88D93.3Very high92.8Very high55 Ų5569 Ų6929%0.29437%0.37SS..SBendtrans-91.7131.5174.2179.8-95.8000111L63 A84 E90 L91 N92L63-D88 HydrophobicContact CD1-CB 4.22Å; A84-D88 PolarHBondContact O-N 3.34Å; D88-E90 PolarHBondContact OD1-N 3.29Å; D88-E90 VanDerWaalsContact OD1-N 3.17Å; D88-L91 HydrophobicContact CB-CB 4.2Å; D88-L91 HydrophobicContact CB-CD1 4.2Å; D88-L91 HydrophobicContact CB-CG 4.45Å; D88-L91 WeakPolarHBondContact OD1-CB 3.43Å; D88-L91 VanDerWaalsContact OD1-CG 3.31Å; D88-L91 WeakPolarHBondContact OD1-CG 3.49Å; D88-L91 PolarHBondContact OD1-N 3.12Å; D88-N92 WeakPolarHBondContact O-CB 3.38Å; D88-N92 PolarHBondContact O-N 2.99Å
89E88.4Confident92.6Very high163 Ų16372.5 Ų72.576%0.76239%0.391SS*.Hα-helixtrans-72.8-40.2-173.5-174.4165.9-16200112.6Q93E89-Q93 VanDerWaalsContact O-CB 3.25Å; E89-Q93 WeakPolarHBondContact O-CB 3.48Å; E89-Q93 PolarHBondContact O-N 3.06Å
90E91.9Very high92.5Very high157 Ų15771.1 Ų71.173%0.73439%0.388SS*.Hα-helixtrans-70.1-45.2-177.6-62.7-163.217200111.3D88 Q93 L94D88-E90 PolarHBondContact OD1-N 3.29Å; D88-E90 VanDerWaalsContact OD1-N 3.17Å; E90-Q93 PolarHBondContact O-N 2.92Å; E90-L94 WeakPolarHBondContact O-CB 3.46Å; E90-L94 PolarHBondContact O-N 2.95Å
91L93Very high92.3Very high7 Ų774.2 Ų74.24%0.03742%0.416CS..Hα-helixtrans-67.2-38.7175.9-67.3175000112.1I60 L63 V85 D88 Q93 L94 L95I60-L91 HydrophobicContact CD1-CD2 4.09Å; I60-L91 HydrophobicContact CG1-CD1 3.86Å; I60-L91 HydrophobicContact CG1-CD2 3.77Å; I60-L91 HydrophobicContact CG1-CG 4.46Å; L63-L91 HydrophobicContact CD1-CD1 3.67Å; V85-L91 HydrophobicContact CG1-CB 4.44Å; D88-L91 HydrophobicContact CB-CB 4.2Å; D88-L91 HydrophobicContact CB-CD1 4.2Å; D88-L91 HydrophobicContact CB-CG 4.45Å; D88-L91 WeakPolarHBondContact OD1-CB 3.43Å; D88-L91 VanDerWaalsContact OD1-CG 3.31Å; D88-L91 WeakPolarHBondContact OD1-CG 3.49Å; D88-L91 PolarHBondContact OD1-N 3.12Å; L91-Q93 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.03Å; L91-L94 HydrophobicContact CD2-CD2 4.42Å; L91-L94 PolarHBondContact O-N 3.42Å; L91-L95 VanDerWaalsContact O-CB 3.26Å; L91-L95 WeakPolarHBondContact O-CB 3.47Å; L91-L95 WeakPolarHBondContact O-CG 3.31Å; L91-L95 PolarHBondContact O-N 3.46Å
92N92.1Very high92.2Very high83 Ų8377.1 Ų77.144%0.44444%0.44SS..Hα-helixtrans-64.3-37.8175.2-173.428.4000111.6V85 D88 K96V85-N92 VanDerWaalsContact O-CA 3.28Å; V85-N92 WeakPolarHBondContact O-CA 3.34Å; V85-N92 VanDerWaalsContact O-CB 3.27Å; V85-N92 WeakPolarHBondContact O-CB 3.21Å; V85-N92 PolarHBondContact O-N 3.41Å; D88-N92 WeakPolarHBondContact O-CB 3.38Å; D88-N92 PolarHBondContact O-N 2.99Å; N92-K96 WeakPolarHBondContact O-CA 3.37Å; N92-K96 WeakPolarHBondContact O-CB 3.26Å; N92-K96 PolarHBondContact O-N 3.15Å; N92-K96 VanDerWaalsContact O-N 3.14Å
93Q92.6Very high91.9Very high110 Ų11075.6 Ų75.651%0.51443%0.432SS..Hα-helixtrans-78.6-33.6177.5-179.246.170.200112.3E89 E90 L91 K96E89-Q93 VanDerWaalsContact O-CB 3.25Å; E89-Q93 WeakPolarHBondContact O-CB 3.48Å; E89-Q93 PolarHBondContact O-N 3.06Å; E90-Q93 PolarHBondContact O-N 2.92Å; L91-Q93 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.03Å; Q93-K96 WeakPolarHBondContact O-CB 3.13Å; Q93-K96 VanDerWaalsContact OE1-CD 3.24Å
94L91.8Very high91.8Very high106 Ų10677.6 Ų77.656%0.55546%0.457SS*.Hα-helixtrans-69.5-40.7173.9177.663.2000112.1L56 E90 L91L56-L94 HydrophobicContact CD1-CD2 4.31Å; L56-L94 HydrophobicContact CD2-CD2 3.86Å; E90-L94 WeakPolarHBondContact O-CB 3.46Å; E90-L94 PolarHBondContact O-N 2.95Å; L91-L94 HydrophobicContact CD2-CD2 4.42Å; L91-L94 PolarHBondContact O-N 3.42Å
95L93.1Very high91.4Very high51 Ų5183 Ų8327%0.26749%0.489SS..THydrogen-bonded Turntrans-99.621.9-178.6-57.9175.7000112.4I60 V85 L91 G97 V98I60-L95 HydrophobicContact CD1-CD1 4.12Å; V85-L95 HydrophobicContact CB-CD1 4.39Å; V85-L95 HydrophobicContact CG1-CB 4Å; V85-L95 HydrophobicContact CG1-CD1 3.68Å; V85-L95 HydrophobicContact CG1-CG 4.39Å; V85-L95 HydrophobicContact CG2-CD1 3.73Å; L91-L95 VanDerWaalsContact O-CB 3.26Å; L91-L95 WeakPolarHBondContact O-CB 3.47Å; L91-L95 WeakPolarHBondContact O-CG 3.31Å; L91-L95 PolarHBondContact O-N 3.46Å; L95-G97 PolarHBondContact O-N 2.85Å; L95-G97 VanDerWaalsContact O-N 3.1Å; L95-V98 HydrophobicContact CB-CB 4.21Å; L95-V98 HydrophobicContact CB-CG2 4.11Å; L95-V98 HydrophobicContact CD2-CG2 4.22Å; L95-V98 VanDerWaalsContact O-CB 3.27Å; L95-V98 WeakPolarHBondContact O-CB 3.2Å; L95-V98 WeakPolarHBondContact O-CG2 3.38Å; L95-V98 PolarHBondContact O-N 3.36Å
96K92.1Very high90.8Very high147 Ų14786.3 Ų86.364%0.63951%0.506SS*.THydrogen-bonded Turntrans-60.8110.8-177.9-167.8162.5-175.41590111.6N92 Q93N92-K96 WeakPolarHBondContact O-CA 3.37Å; N92-K96 WeakPolarHBondContact O-CB 3.26Å; N92-K96 PolarHBondContact O-N 3.15Å; N92-K96 VanDerWaalsContact O-N 3.14Å; Q93-K96 WeakPolarHBondContact O-CB 3.13Å; Q93-K96 VanDerWaalsContact OE1-CD 3.24Å
97G88.4Confident90.2Very high81 Ų8190.1 Ų90.184%0.83553%0.53SS*.THydrogen-bonded Turntrans92.84.3-175.400000115.1L95L95-G97 PolarHBondContact O-N 2.85Å; L95-G97 VanDerWaalsContact O-N 3.1Å
98V93.1Very high89.8Confident90 Ų9090.4 Ų90.455%0.54553%0.531SS..  trans-82.1121.8172179.50000110.3L95 I100L95-V98 HydrophobicContact CB-CB 4.21Å; L95-V98 HydrophobicContact CB-CG2 4.11Å; L95-V98 HydrophobicContact CD2-CG2 4.22Å; L95-V98 VanDerWaalsContact O-CB 3.27Å; L95-V98 WeakPolarHBondContact O-CB 3.2Å; L95-V98 WeakPolarHBondContact O-CG2 3.38Å; L95-V98 PolarHBondContact O-N 3.36Å; V98-I100 PolarHBondContact O-N 3.17Å
99T92.6Very high89.2Confident131 Ų13192.9 Ų92.980%0.80454%0.543SS*.  trans-84.5107.8177.1-58.80000111.4A101T99-A101 PolarHBondContact O-N 3.14Å; T99-A101 VanDerWaalsContact O-N 3.17Å
100I93Very high88.8Confident40 Ų4090.6 Ų90.621%0.20553%0.532CS..  trans-78.998172.1-61.8169.3000109.2P78 I81 L82 V85 V98 S102 G103P78-I100 HydrophobicContact CB-CG2 4.24Å; I81-I100 HydrophobicContact CG2-CD1 4.17Å; L82-I100 HydrophobicContact CB-CB 4.48Å; L82-I100 HydrophobicContact CB-CD1 4.22Å; L82-I100 HydrophobicContact CB-CG2 4.34Å; L82-I100 HydrophobicContact CD1-CB 4.39Å; L82-I100 HydrophobicContact CD1-CD1 4.01Å; V85-I100 HydrophobicContact CB-CD1 4.19Å; V85-I100 HydrophobicContact CG1-CD1 4.34Å; V85-I100 HydrophobicContact CG2-CD1 4.27Å; V98-I100 PolarHBondContact O-N 3.17Å; I100-S102 PolarHBondContact O-N 3.39Å; I100-G103 PolarHBondContact O-N 3.49Å
101A92.9Very high88.1Confident74 Ų7486.4 Ų86.461%0.61252%0.519SS*.THydrogen-bonded Turntrans-56.2137.4178.500000111.7P78 T99 G103P78-A101 WeakPolarHBondContact CB-O 3.35Å; T99-A101 PolarHBondContact O-N 3.14Å; T99-A101 VanDerWaalsContact O-N 3.17Å; A101-G103 PolarHBondContact O-N 3.33Å; A101-G103 VanDerWaalsContact O-N 3.15Å
102S93.4Very high87.7Confident112 Ų11293.4 Ų93.478%0.78355%0.551SS**THydrogen-bonded Turntrans59.114-173.5-54.80000115.7I100I100-S102 PolarHBondContact O-N 3.39Å
103G89.8Confident86.9Confident0 Ų095.7 Ų95.70%056%0.563CS.*  trans-73.2-22.8174.100000114.5R79 L82 I100 A101R79-G103 WeakPolarHBondContact CD-O 3.29Å; R79-G103 PolarHBondContact NH1-O 3.29Å; L82-G103 VanDerWaalsContact CD2-O 3.28Å; L82-G103 WeakPolarHBondContact CD2-O 3.41Å; I100-G103 PolarHBondContact O-N 3.49Å; A101-G103 PolarHBondContact O-N 3.33Å; A101-G103 VanDerWaalsContact O-N 3.15Å
104G89.6Confident86.2Confident61 Ų6194.3 Ų94.363%0.62956%0.559SS**  trans75.5-150.4-172.300000112.4L82L82-G104 VanDerWaalsContact CD2-O 3.23Å; L82-G104 WeakPolarHBondContact CD2-O 3.47Å
105V86.2Confident85.4Confident120 Ų12094 Ų9473%0.72757%0.572SS**  trans-121.5149.1176.8-63.50000111R79R79-V105 VanDerWaalsContact CZ-O 3.24Å; R79-V105 PolarHBondContact NH1-O 2.83Å; R79-V105 PolarHBondContact NH2-O 2.94Å
106L81.8Confident83.7Confident78 Ų78101.7 Ų101.741%0.40860%0.603SS.*  trans-55.8143.6174.2-89.1176.2000110.7L83 A86 N108L83-L106 HydrophobicContact CD2-CD2 4.01Å; A86-L106 HydrophobicContact CB-CD1 3.8Å; A86-L106 HydrophobicContact CB-CD2 4.19Å; A86-L106 HydrophobicContact CB-CG 4.1Å; L106-N108 PolarHBondContact O-N 3.46Å; L106-N108 VanDerWaalsContact O-N 3.08Å
107P76.9Confident81.7Confident102 Ų102102.8 Ų102.866%0.66261%0.607SS**  trans-64.2111173.2-14.929.9000109.7
108N80.6Confident79.6Confident130 Ų130111.1 Ų111.170%0.69561%0.614SS**  trans-118.9121.1173.2-1751000108.6L106L106-N108 PolarHBondContact O-N 3.46Å; L106-N108 VanDerWaalsContact O-N 3.08Å
109I79.4Confident77.6Confident108 Ų108110.8 Ų110.855%0.55463%0.628SS**  trans-107.2112.3175.1-56.9174.9000107L113 L114I109-L113 HydrophobicContact CG2-CB 4.1Å; I109-L114 HydrophobicContact CB-CD2 4.32Å; I109-L114 HydrophobicContact CG2-CD2 3.67Å; I109-L114 HydrophobicContact CG2-CG 4.21Å
110H80.2Confident75Confident114 Ų114108.1 Ų108.153%0.52862%0.615SS.*  trans-51.3132.2173.8-81.1-80.8000110.7E112 L113H110-E112 PolarHBondContact O-N 3.38Å; H110-L113 HydrophobicContact CB-CD1 4.14Å; H110-L113 HydrophobicContact CB-CG 4.1Å; H110-L113 WeakPolarHBondContact O-CA 2.92Å; H110-L113 WeakPolarHBondContact O-CB 3.1Å; H110-L113 PolarHBondContact O-N 3.05Å
111P77.1Confident72.6Confident70 Ų70116.8 Ų116.846%0.45565%0.652SS.*G310 helixtrans-54.8-26.6-179.3-28.836.4000114.3L113 L114 A126P111-L113 VanDerWaalsContact C-N 3.27Å; P111-L113 PolarHBondContact O-N 3.16Å; P111-L114 PolarHBondContact O-N 2.76Å; P111-A126 HydrophobicContact CG-CB 4.35Å
112E84.3Confident69.9Low153 Ų153115.9 Ų115.972%0.71565%0.649SS**G310 helixtrans-67.4-23.9175.2-61.370.9-15400113.4H110H110-E112 PolarHBondContact O-N 3.38Å
113L75.2Confident67.1Low131 Ų131119 Ų11969%0.68665%0.649SS**G310 helixtrans-91.1-11.2177.4-58.7179.5000112.7I109 H110 P111 A115I109-L113 HydrophobicContact CG2-CB 4.1Å; H110-L113 HydrophobicContact CB-CD1 4.14Å; H110-L113 HydrophobicContact CB-CG 4.1Å; H110-L113 WeakPolarHBondContact O-CA 2.92Å; H110-L113 WeakPolarHBondContact O-CB 3.1Å; H110-L113 PolarHBondContact O-N 3.05Å; P111-L113 VanDerWaalsContact C-N 3.27Å; P111-L113 PolarHBondContact O-N 3.16Å; L113-A115 PolarHBondContact O-N 2.93Å
114L78.9Confident64.7Low82 Ų82126.8 Ų126.843%0.42969%0.69SS.*SBendtrans-72.9119171.8-61.1177000109.2I109 P111 K116I109-L114 HydrophobicContact CB-CD2 4.32Å; I109-L114 HydrophobicContact CG2-CD2 3.67Å; I109-L114 HydrophobicContact CG2-CG 4.21Å; P111-L114 PolarHBondContact O-N 2.76Å; L114-K116 PolarHBondContact O-N 2.97Å
115A74.5Confident62.1Low100 Ų100131.1 Ų131.183%0.82669%0.693SS**  trans-61.6111.8-176.200000111.3L113 K117L113-A115 PolarHBondContact O-N 2.93Å; A115-K117 PolarHBondContact O-N 3.37Å
116K58.8Low59.7Low211 Ų211128 Ų12892%0.91768%0.68SS**  trans-62.992.7174.7-79.9-174.1175.2176.10110.9L114 R118L114-K116 PolarHBondContact O-N 2.97Å; K116-R118 PolarHBondContact O-N 3.37Å; K116-R118 VanDerWaalsContact O-N 3.16Å
117K50Low57.6Low170 Ų170132.2 Ų132.274%0.73970%0.701SS**  trans-59.2113176.5-159.7177.5-172.2-179.30109.3A115 G119A115-K117 PolarHBondContact O-N 3.37Å; K117-G119 PolarHBondContact O-N 3.44Å; K117-G119 VanDerWaalsContact O-N 3.12Å
118R43.5Very low55.8Low256 Ų256134.3 Ų134.397%0.96671%0.706SS**THydrogen-bonded Turntrans-60.5114.9175.5-108.7-177.3171.1-176.1-3.4108.9K116K116-R118 PolarHBondContact O-N 3.37Å; K116-R118 VanDerWaalsContact O-N 3.16Å
119G50.3Low53.9Low83 Ų83133.8 Ų133.886%0.85671%0.707SS**THydrogen-bonded Turntrans118.6-23168.600000116.7K117 K121K117-G119 PolarHBondContact O-N 3.44Å; K117-G119 VanDerWaalsContact O-N 3.12Å; G119-K121 PolarHBondContact O-N 2.99Å
120S38.3Very low52Low75 Ų75134 Ų13452%0.52472%0.715SS.*  trans-90.4105.8-177.354.50000112.7G122S120-G122 PolarHBondContact O-N 2.96Å
121K42.2Very low50.2Low223 Ų223134 Ų13497%0.9773%0.726SS**  trans-73.277159.9-80.1-172.5176.2-179.30109.6G119G119-K121 PolarHBondContact O-N 2.99Å
122G37.1Very low48.3Very low55 Ų55136.1 Ų136.157%0.56774%0.74SS**  trans-131124.8169.900000109.6S120 L124S120-G122 PolarHBondContact O-N 2.96Å; G122-L124 PolarHBondContact O-N 3.23Å
123K35.4Very low46.1Very low178 Ų178134 Ų13477%0.77475%0.748SS**  trans-69.3114.8165.7-94.9-179.3152.3-154.80107.6E125K123-E125 HydrophobicContact CB-CG 4.34Å; K123-E125 IonicContact NZ-OE1 3.61Å; K123-E125 PolarHBondContact NZ-OE1 3.23Å
124L37.5Very low44.2Very low163 Ų163137.2 Ų137.285%0.85376%0.757SS**  trans-90.1107.9155.8-74.7166.7000106.2G122 A126G122-L124 PolarHBondContact O-N 3.23Å; L124-A126 PolarHBondContact O-N 3.02Å
125E35.1Very low41.9Very low151 Ų151143.5 Ų143.571%0.70678%0.78SS**  trans-79.6106.2177.1-58-146.3141.300108.9K123K123-E125 HydrophobicContact CB-CG 4.34Å; K123-E125 IonicContact NZ-OE1 3.61Å; K123-E125 PolarHBondContact NZ-OE1 3.23Å
126A36.9Very low39.8Very low54 Ų54143.5 Ų143.545%0.44678%0.78SS.*  trans-67.9145164.700000108.8P111 L124 I128P111-A126 HydrophobicContact CG-CB 4.35Å; L124-A126 PolarHBondContact O-N 3.02Å; A126-I128 PolarHBondContact O-N 3.06Å
127I37.7Very low38.4Very low168 Ų168143.8 Ų143.886%0.86278%0.782SS**  trans-68.996.4179.5-59.6171.9000109T129I127-T129 PolarHBondContact O-N 2.72Å
128I39.4Very low37.3Very low146 Ų146141.3 Ų141.375%0.74979%0.786SS**  trans-79.7102.2177.7-62.5171.7000108.8A126A126-I128 PolarHBondContact O-N 3.06Å
129T39.7Very low36.9Very low119 Ų119135.2 Ų135.273%0.7378%0.779SS**PPolyproline II helixtrans-76.6130.1153.530.20000108.6I127I127-T129 PolarHBondContact O-N 2.72Å
130P40.4Very low35.8Very low112 Ų112136.4 Ų136.473%0.72778%0.775SS**PPolyproline II helixtrans-68.6133.1-177.225.9-33.4000111.2
131P41.8Very low35.3Very low115 Ų115142.1 Ų142.175%0.74779%0.793SS**PPolyproline II helixtrans-68.6142.2179-19.331.8000112.6A133P131-A133 PolarHBondContact O-N 2.64Å
132P37.2Very low34.6Very low114 Ų114141.1 Ų141.174%0.7479%0.789SS**PPolyproline II helixtrans-67.6131.7173.527.8-33.9000111.1K134P132-K134 PolarHBondContact O-N 2.9Å
133A37.4Very low34.1Very low108 Ų108148.4 Ų148.489%0.89380%0.804SS**PPolyproline II helixtrans-61131-174.500000112.8P131P131-A133 PolarHBondContact O-N 2.64Å
134K35.2Very low33.6Very low199 Ų199145.9 Ų145.987%0.86580%0.804SS**  trans-110.9135.6173.4-74.7-174.2176.4178.50111.3P132P132-K134 PolarHBondContact O-N 2.9Å
135K31.8Very low33.2Very low214 Ų214144.4 Ų144.493%0.9380%0.802SS**  trans-66.8146.1179.9-63.6179.6177.7-179.10111.3
136A29.5Very low32.8Very low100 Ų100143.3 Ų143.383%0.82681%0.806SS**  trans-72.4151.9-177.100000113.8
137K28.9Very low32.3Very low217 Ų217150.3 Ų150.394%0.94383%0.826SS**  trans-141.7155.7156.2-81.7-161.1172.7-1730110.2
138S27.2Very low31.8Very low118 Ų118152.6 Ų152.683%0.82583%0.83SS**  trans-92.9169.6-165.1330000114.7
139P34.8Very low31.1Very low127 Ų127150.8 Ų150.883%0.82584%0.836SS**  trans-109.7152.2-156.839.6-34000117.5
140S27.5Very low30.5Very low109 Ų109149.1 Ų149.176%0.76284%0.843SS**  trans-169150.1164.952.10000108.5
141Q29.5Very low29.8Very low194 Ų194147.3 Ų147.391%0.90784%0.844SS**  cis-156.7169.9-3-117175.910.500109.1
142K26.6Very low29.2Very low203 Ų203151.3 Ų151.388%0.88385%0.85SS**  trans-79.2152.1177.6-66.3178.4177.1174.20113.3
143K27.4Very low28.6Very low207 Ų207155.8 Ų155.890%0.986%0.858SS**  trans-163.2171.5146.3-114.8170.2-173.5177.90113.7
144T23.4Very low28.1Very low125 Ų125154.5 Ų154.577%0.76786%0.855SS**  trans-148.2171.7-163.648.20000110.8
145V29.3Very low27.7Very low132 Ų132150 Ų15080%0.886%0.855SS**  cis-111.2-112.58.6-156.70000112
146T26.6Very low27.5Very low129 Ų129152 Ų15279%0.79186%0.856SS**  cis-157.6157.4-1.9-42.20000109.5
147K27.3Very low27.3Very low200 Ų200156.8 Ų156.887%0.8786%0.859SS**  trans-102.9149.3173.5-68.1178.3179.1174.40112.5
148K26.5Very low27.1Very low217 Ų217152.3 Ų152.394%0.94385%0.854SS**  trans-157.4168.1135.7-120.2173.8-177.5177.90111.1
149A26.2Very low27Very low107 Ų107155.3 Ų155.388%0.88485%0.853SS**  trans-144.5161.8-164.100000113.9
150G26.3Very low26.6Very low84 Ų84157.7 Ų157.787%0.86685%0.85SS**  trans132.8145.8176.100000112
151G26.6Very low26.5Very low74 Ų74159.4 Ų159.476%0.76384%0.844SS**  cis172.5142.1-10.200000114.1
152K27.2Very low26.2Very low199 Ų199157 Ų15787%0.86583%0.832SS**  trans60.6116.2165.6-74.6179.8177.9173.70120.8
153K25.5Very low26.1Very low209 Ų209151.1 Ų151.191%0.90983%0.83SS**  44.7119125.3-61.8-173.3176.7-173.70120.3
154G26.7Very low25.9Very low81 Ų81149.2 Ų149.284%0.83582%0.824SS**  trans-144.2135.5146.100000109.6
155A26.1Very low26Very low103 Ų103150.4 Ų150.485%0.85183%0.831SS**  trans-145138-175.800000112.3
156R27.8Very low25.9Very low256 Ų256149.3 Ų149.397%0.96683%0.83SS**  trans-154.7149.5161-124.3172.1-178.7172.4-0.1112.3
157K25.2Very low25.9Very low202 Ų202153.1 Ų153.188%0.87884%0.835SS**  trans-105.8140.1176.3-60.3169.5176.7173.40109.7
158S26.6Very low25.8Very low122 Ų122149.3 Ų149.385%0.85383%0.834SS**  trans177.5168.313550.20000111.2
159K24.9Very low25.8Very low182 Ų182144 Ų14479%0.79183%0.83SS**  170.7129.1-60.5173.5-176.4-172.9-1760107.9
160K25Very low25.7Very low176 Ų176144.6 Ų144.677%0.76583%0.828SS**  trans67.8158.9166.9-90.9-172.4175.7-1750116.1
161K25.1Very low25.7Very low145 Ų145145.4 Ų145.463%0.6383%0.826SS**  cis-161.4155.7-17.8-147.9-171.6-179.3-151.60109.8
162Q23Very low25.6Very low143 Ų143149.4 Ų149.467%0.66883%0.83SS**  trans42.8144.4144.8-91.8176.7-34.200123.5
163G24.9Very low25.6Very low81 Ų81144.3 Ų144.384%0.83582%0.819SS**  trans-173.2101.5157.500000111
164E23.1Very low25.8Very low166 Ų166141.2 Ų141.278%0.77682%0.818SS**  trans-95.5141.1170.2-70168.685.200110
165V27.1Very low26.1Very low150 Ų150143.7 Ų143.791%0.90982%0.817SS**  trans-143.8137.3144.3-173.50000107.8
166S25.8Very low26.4Very low110 Ų110147.9 Ų147.977%0.76982%0.819SS**  trans-94.4157.3178.9540000112.4
167K28Very low26.4Very low209 Ų209139 Ų13991%0.90981%0.808SS**  trans-152.5132.4146.5-145.2168.6-172.6176.50111.4
168S24.7Very low26.7Very low120 Ų120136 Ų13684%0.83981%0.806SS**  trans-93.7147.3179.342.90000111.9
169A26.2Very low27.1Very low105 Ų105134.7 Ų134.787%0.86880%0.795SS**  trans-147.7141.8156.500000106.6
170S24.8Very low27.6Very low119 Ų119130.1 Ų130.183%0.83279%0.791SS**  trans-130173.8-168.849.20000112
171A26Very low28.6Very low101 Ų101130.2 Ų130.284%0.83580%0.8SS**  trans73.6138.3-167.500000114
172D23.4Very low29.8Very low159 Ų159124.8 Ų124.885%0.8579%0.786SS**  cis-136.8161.1-1.7-160.17.4000111.5
173S28.2Very low31.6Very low91 Ų91120.6 Ų120.664%0.63677%0.765SS**  trans-114.3120.7-163.657.90000114.7
174T29.2Very low33.8Very low144 Ų144121 Ų12188%0.88375%0.752SS**  trans-12972.8159.5420000110E176T174-E176 PolarHBondContact O-N 2.86Å
175T32.4Very low36.5Very low133 Ų133116 Ų11682%0.81673%0.732SS**  trans-84.287.517551.40000110.9
176E32.5Very low39.2Very low191 Ų191112.5 Ų112.589%0.89371%0.708SS**PPolyproline II helixtrans-75.1134.3150.9-68.7-164.6154.400108.5T174T174-E176 PolarHBondContact O-N 2.86Å
177G28.1Very low42Very low70 Ų70108.9 Ų108.972%0.72268%0.683SS**PPolyproline II helixtrans-73.4135.4-162.800000114.4P179G177-P179 WeakPolarHBondContact O-CD 3.34Å
178T32.2Very low45Very low138 Ų138102.6 Ų102.685%0.84766%0.662SS**PPolyproline II helixtrans-57.3126.315136.30000108.8
179P35.3Very low48.1Very low95 Ų9598.5 Ų98.562%0.61763%0.629SS**PPolyproline II helixtrans-56.6148.5168.2-23.234.2000110.9G177 F183G177-P179 WeakPolarHBondContact O-CD 3.34Å; P179-F183 HydrophobicContact CB-CZ 4.44Å; P179-F183 HydrophobicContact CG-CZ 4.49Å
180A34.6Very low51.1Low87 Ų8796.8 Ų96.872%0.71961%0.611SS**PPolyproline II helixtrans-66.7160.7169.100000110.9G182A180-G182 PolarHBondContact O-N 2.85Å
181D46Very low54.1Low177 Ų17791.8 Ų91.895%0.94758%0.575SS**SBendtrans-50.5123.2-178.2-69.3-62.6000112.4
182G49.6Very low56.6Low32 Ų3296.7 Ų96.733%0.3358%0.578SS.*SBendtrans-173.7-40.2177.900000116.4A180A180-G182 PolarHBondContact O-N 2.85Å
183F61.9Low59.4Low54 Ų5493.1 Ų93.124%0.23756%0.558CS.*  trans-153164.6-173.461.6-90.5000113.9P179 V185 I200 F210P179-F183 HydrophobicContact CB-CZ 4.44Å; P179-F183 HydrophobicContact CG-CZ 4.49Å; F183-V185 HydrophobicContact CD2-CG2 4.18Å; F183-V185 HydrophobicContact CE2-CG2 3.88Å; F183-I200 HydrophobicContact CB-CG2 4.21Å; F183-I200 HydrophobicContact CD2-CG1 4.28Å; F183-F210 HydrophobicContact CB-CE2 3.63Å; F183-F210 HydrophobicContact CB-CZ 3.95Å; F183-F210 AromaticContact CD1-CD2 3.67Å; F183-F210 HydrophobicContact CD1-CD2 3.67Å; F183-F210 HydrophobicContact CD1-CE1 4.18Å; F183-F210 AromaticContact CD1-CE2 3.25Å; F183-F210 HydrophobicContact CD1-CE2 3.25Å; F183-F210 HydrophobicContact CD1-CG 4.3Å; F183-F210 AromaticContact CD1-CZ 3.52Å; F183-F210 HydrophobicContact CD1-CZ 3.52Å; F183-F210 AromaticContact CD2-CE1 3.99Å; F183-F210 HydrophobicContact CD2-CE1 3.99Å; F183-F210 AromaticContact CD2-CE2 3.83Å; F183-F210 HydrophobicContact CD2-CE2 3.83Å; F183-F210 AromaticContact CD2-CZ 3.28Å; F183-F210 HydrophobicContact CD2-CZ 3.28Å; F183-F210 HydrophobicContact CE1-CD1 4.07Å; F183-F210 AromaticContact CE1-CD2 3.92Å; F183-F210 HydrophobicContact CE1-CD2 3.92Å; F183-F210 AromaticContact CE1-CE1 3.88Å; F183-F210 HydrophobicContact CE1-CE1 3.88Å; F183-F210 AromaticContact CE1-CE2 3.76Å; F183-F210 HydrophobicContact CE1-CE2 3.76Å; F183-F210 HydrophobicContact CE1-CG 4.07Å; F183-F210 AromaticContact CE1-CZ 3.71Å; F183-F210 HydrophobicContact CE1-CZ 3.71Å; F183-F210 AromaticContact CE2-CE1 3.68Å; F183-F210 HydrophobicContact CE2-CE1 3.68Å; F183-F210 HydrophobicContact CE2-CE2 4.26Å; F183-F210 AromaticContact CE2-CZ 3.48Å; F183-F210 HydrophobicContact CE2-CZ 3.48Å; F183-F210 VanDerWaalsContact CE2-CZ 3.48Å; F183-F210 HydrophobicContact CG-CD2 4.18Å; F183-F210 HydrophobicContact CG-CE1 4.23Å; F183-F210 AromaticContact CG-CE2 3.29Å; F183-F210 HydrophobicContact CG-CE2 3.29Å; F183-F210 AromaticContact CG-CZ 3.29Å; F183-F210 HydrophobicContact CG-CZ 3.29Å; F183-F210 HydrophobicContact CZ-CD1 4.08Å; F183-F210 AromaticContact CZ-CE1 3.62Å; F183-F210 HydrophobicContact CZ-CE1 3.62Å; F183-F210 HydrophobicContact CZ-CE2 4.23Å; F183-F210 AromaticContact CZ-CZ 3.69Å; F183-F210 HydrophobicContact CZ-CZ 3.69Å
184T71.7Confident62.2Low91 Ų9191.1 Ų91.156%0.55855%0.552SS**EExtended strand (participates in β ladder)trans-119.2121.6172.5-51.50000110.1L186 H201T184-L186 HydrophobicContact CG2-CD2 4.29Å; T184-H201 PolarHBondContact O-N 3.37Å
185V79.4Confident65.1Low60 Ų6084.6 Ų84.636%0.36451%0.511SS..EExtended strand (participates in β ladder)trans-74.9121.8165.1-176.10000107.5F183 N198 L199 I200F183-V185 HydrophobicContact CD2-CG2 4.18Å; F183-V185 HydrophobicContact CE2-CG2 3.88Å; V185-N198 HydrophobicContact CG1-CB 4.21Å; V185-L199 CarbonylContact C-O 3.54Å; V185-L199 WeakPolarHBondContact CA-O 3.34Å; V185-I200 HydrophobicContact CG2-CG1 4.03Å
186L83.4Confident68Low76 Ų7683.4 Ų83.440%0.39850%0.495SS..EExtended strand (participates in β ladder)trans-88-34.8-178.3-57.9-175.4000112.6T184 L199 H201 I359T184-L186 HydrophobicContact CG2-CD2 4.29Å; L186-L199 HydrophobicContact CB-CD2 4.45Å; L186-L199 HydrophobicContact CB-CG 4.42Å; L186-L199 HydrophobicContact CD1-CD2 4.41Å; L186-L199 HydrophobicContact CD1-CG 4.41Å; L186-L199 PolarHBondContact N-O 3.02Å; L186-H201 HydrophobicContact CD1-CB 3.99Å; L186-H201 HydrophobicContact CD2-CB 4Å; L186-H201 HydrophobicContact CG-CB 4.11Å; L186-I359 HydrophobicContact CD1-CB 4.32Å; L186-I359 HydrophobicContact CD1-CD1 3.98Å; L186-I359 HydrophobicContact CD1-CG1 4.03Å; L186-I359 HydrophobicContact CD1-CG2 3.35Å
187S85.1Confident71Confident35 Ų3574.3 Ų74.325%0.24545%0.452CS..EExtended strand (participates in β ladder)trans-154142.7-177.2-177.80000109.9L199S187-L199 PolarHBondContact O-N 2.97Å
188T90.1Very high74Confident76 Ų7671.8 Ų71.847%0.46642%0.422SS..EExtended strand (participates in β ladder)trans-128.2124.1175.1-63.50000108.9L197 N198T188-L197 CarbonylContact C-O 3.59Å; T188-L197 WeakPolarHBondContact CA-O 3.3Å; T188-N198 WeakPolarHBondContact CB-OD1 3.18Å; T188-N198 VanDerWaalsContact CG2-OD1 3.26Å; T188-N198 WeakPolarHBondContact CG2-OD1 3.37Å; T188-N198 PolarHBondContact OG1-OD1 3.15Å
189K89.6Confident76.8Confident35 Ų3565.2 Ų65.215%0.15238%0.382CS..EExtended strand (participates in β ladder)trans-111.8129.5171.1-166.672.1163.7-178.10108K196 L197 M366 A367 D370K189-K196 WeakPolarHBondContact O-CA 3.46Å; K189-L197 HydrophobicContact CB-CB 4.28Å; K189-L197 PolarHBondContact N-O 2.88Å; K189-L197 PolarHBondContact O-N 3.04Å; K189-M366 HydrophobicContact CB-CE 3.8Å; K189-M366 WeakPolarHBondContact CD-O 3.34Å; K189-M366 WeakPolarHBondContact CE-O 3.29Å; K189-A367 PolarHBondContact NZ-O 3.06Å; K189-D370 WeakPolarHBondContact CE-OD1 3.36Å; K189-D370 WeakPolarHBondContact CE-OD2 3.45Å; K189-D370 IonicContact NZ-OD1 2.64Å; K189-D370 IonicContact NZ-OD2 3.75Å; K189-D370 PolarHBondContact NZ-OD2 3.1Å
190S90.3Very high79.4Confident68 Ų6860.7 Ų60.748%0.47635%0.353SS..EExtended strand (participates in β ladder)trans-102120.7172.6-600000108.7
191L87.1Confident81.7Confident15 Ų1561.1 Ų61.18%0.07934%0.339CS..  trans-74.9158.2175.5-59.4-178.9000110.8L193 G194 Q195 L197 F338 L369L191-L193 PolarHBondContact O-N 3.01Å; L191-L193 VanDerWaalsContact O-N 3.07Å; L191-G194 PolarHBondContact O-N 3.09Å; L191-Q195 HydrophobicContact CD1-CB 4.4Å; L191-Q195 PolarHBondContact N-O 2.86Å; L191-L197 HydrophobicContact CD1-CD1 4.26Å; L191-L197 HydrophobicContact CD1-CD2 4.1Å; L191-L197 HydrophobicContact CD1-CG 4.21Å; L191-L197 HydrophobicContact CD2-CD1 4.02Å; L191-L197 HydrophobicContact CD2-CG 4.41Å; L191-L197 HydrophobicContact CG-CD1 4.26Å; L191-L197 HydrophobicContact CG-CG 4.15Å; L191-F338 HydrophobicContact CD1-CD2 3.62Å; L191-F338 HydrophobicContact CD1-CE2 4.29Å; L191-L369 HydrophobicContact CD2-CD1 4.16Å
192F77.9Confident83.2Confident204 Ų20453.3 Ų53.390%0.89530%0.298SS*.THydrogen-bonded Turntrans-52.6-33.5-176.1-178.7-100.5000114.6G194F192-G194 VanDerWaalsContact C-N 3.31Å; F192-G194 PolarHBondContact O-N 3.31Å
193L83.5Confident84.2Confident84 Ų8457.4 Ų57.444%0.4431%0.309SS..THydrogen-bonded Turntrans-90.513.1178.9-61.7173.8000113.7L191 Q195 F338L191-L193 PolarHBondContact O-N 3.01Å; L191-L193 VanDerWaalsContact O-N 3.07Å; L193-Q195 PolarHBondContact O-OE1 3.11Å; L193-F338 VanDerWaalsContact CD1-O 3.23Å; L193-F338 WeakPolarHBondContact CD1-O 3.36Å
194G85.9Confident84.4Confident49 Ų4955.6 Ų55.651%0.50530%0.302SS..SBendtrans90.3-0.7170.200000116.1L191 F192L191-G194 PolarHBondContact O-N 3.09Å; F192-G194 VanDerWaalsContact C-N 3.31Å; F192-G194 PolarHBondContact O-N 3.31Å
195Q91.3Very high83.7Confident7 Ų753.3 Ų53.33%0.03329%0.29CS..PPolyproline II helixtrans-70.9135.5174-58.583.4-7.500110.8L191 L193 F338 K347L191-Q195 HydrophobicContact CD1-CB 4.4Å; L191-Q195 PolarHBondContact N-O 2.86Å; L193-Q195 PolarHBondContact O-OE1 3.11Å; Q195-F338 HydrophobicContact CB-CD2 4.17Å; Q195-F338 HydrophobicContact CB-CE2 4.06Å; Q195-F338 HydrophobicContact CB-CZ 4.47Å; Q195-F338 HydrophobicContact CG-CD1 3.97Å; Q195-F338 HydrophobicContact CG-CD2 3.96Å; Q195-F338 HydrophobicContact CG-CE1 4.04Å; Q195-F338 HydrophobicContact CG-CE2 3.97Å; Q195-F338 HydrophobicContact CG-CG 3.95Å; Q195-F338 HydrophobicContact CG-CZ 4.03Å; Q195-K347 CarbonylContact C-O 3.57Å; Q195-K347 WeakPolarHBondContact CA-O 3.42Å
196K92.9Very high82.9Confident107 Ų10754.3 Ų54.347%0.46529%0.293SS..EExtended strand (participates in β ladder)trans-98.7123.4177-64.5-178.1-179.2178.40110.6K189 K347 T348 V349K189-K196 WeakPolarHBondContact O-CA 3.46Å; K196-K347 PolarHBondContact N-O 2.85Å; K196-T348 CarbonylContact O-C 3.58Å; K196-T348 WeakPolarHBondContact O-CA 3.31Å; K196-V349 PolarHBondContact O-N 3.08Å
197L94.3Very high81.8Confident0 Ų050.8 Ų50.80%027%0.274CS..EExtended strand (participates in β ladder)trans-94.6119166.7-48.8-174.9000108.1T188 K189 L191 L331 I334 V349 F351 M366 L369T188-L197 CarbonylContact C-O 3.59Å; T188-L197 WeakPolarHBondContact CA-O 3.3Å; K189-L197 HydrophobicContact CB-CB 4.28Å; K189-L197 PolarHBondContact N-O 2.88Å; K189-L197 PolarHBondContact O-N 3.04Å; L191-L197 HydrophobicContact CD1-CD1 4.26Å; L191-L197 HydrophobicContact CD1-CD2 4.1Å; L191-L197 HydrophobicContact CD1-CG 4.21Å; L191-L197 HydrophobicContact CD2-CD1 4.02Å; L191-L197 HydrophobicContact CD2-CG 4.41Å; L191-L197 HydrophobicContact CG-CD1 4.26Å; L191-L197 HydrophobicContact CG-CG 4.15Å; L197-L331 HydrophobicContact CD1-CD2 4.06Å; L197-I334 HydrophobicContact CD2-CG2 3.8Å; L197-V349 CarbonylContact C-O 3.54Å; L197-V349 WeakPolarHBondContact CA-O 3.46Å; L197-V349 HydrophobicContact CD2-CB 3.7Å; L197-V349 HydrophobicContact CD2-CG1 4.43Å; L197-V349 HydrophobicContact CD2-CG2 3.93Å; L197-F351 HydrophobicContact CB-CE2 4.12Å; L197-F351 HydrophobicContact CD1-CE2 4.41Å; L197-M366 HydrophobicContact CB-CE 4.07Å; L197-M366 WeakPolarHBondContact O-CE 3.43Å; L197-L369 HydrophobicContact CD1-CD1 3.5Å; L197-L369 VanDerWaalsContact CD1-CD1 3.5Å
198N92.1Very high79.8Confident18 Ų1852 Ų5210%0.09629%0.286CS..EExtended strand (participates in β ladder)trans-118.1117.1-176.5-75.6-46000110.2V185 T188 I200 T348 V349 Y350 F351V185-N198 HydrophobicContact CG1-CB 4.21Å; T188-N198 WeakPolarHBondContact CB-OD1 3.18Å; T188-N198 VanDerWaalsContact CG2-OD1 3.26Å; T188-N198 WeakPolarHBondContact CG2-OD1 3.37Å; T188-N198 PolarHBondContact OG1-OD1 3.15Å; N198-I200 HydrophobicContact CB-CD1 4.4Å; N198-T348 WeakPolarHBondContact ND2-CG2 3.39Å; N198-V349 PolarHBondContact N-O 2.71Å; N198-Y350 HydrophobicContact CB-CD1 3.6Å; N198-Y350 HydrophobicContact CB-CE1 3.96Å; N198-Y350 CarbonylContact O-C 3.56Å; N198-Y350 WeakPolarHBondContact O-CA 3.4Å; N198-F351 PolarHBondContact O-N 3.5Å
199L91.5Very high77.9Confident0 Ų050.9 Ų50.90%029%0.29CS..EExtended strand (participates in β ladder)trans-86.4131.1172.5-177.363.6000110.1V185 L186 S187 F351 L353 I359 Y362 V363 M366V185-L199 CarbonylContact C-O 3.54Å; V185-L199 WeakPolarHBondContact CA-O 3.34Å; L186-L199 HydrophobicContact CB-CD2 4.45Å; L186-L199 HydrophobicContact CB-CG 4.42Å; L186-L199 HydrophobicContact CD1-CD2 4.41Å; L186-L199 HydrophobicContact CD1-CG 4.41Å; L186-L199 PolarHBondContact N-O 3.02Å; S187-L199 PolarHBondContact O-N 2.97Å; L199-F351 HydrophobicContact CD1-CB 3.78Å; L199-L353 HydrophobicContact CD1-CD1 3.59Å; L199-L353 HydrophobicContact CD1-CG 4.03Å; L199-I359 HydrophobicContact CD2-CG2 4.38Å; L199-Y362 HydrophobicContact CD1-CG 4.44Å; L199-V363 HydrophobicContact CD2-CG2 3.43Å; L199-V363 VanDerWaalsContact CD2-CG2 3.43Å; L199-M366 HydrophobicContact CB-CE 4.37Å; L199-M366 HydrophobicContact CB-SD 4.04Å
200I88.4Confident76.6Confident0 Ų049.6 Ų49.60%028%0.284CS..EExtended strand (participates in β ladder)trans-127.9136-177-73.9132000110.6F183 V185 N198 S202 F210 Y350 F351 L353F183-I200 HydrophobicContact CB-CG2 4.21Å; F183-I200 HydrophobicContact CD2-CG1 4.28Å; V185-I200 HydrophobicContact CG2-CG1 4.03Å; N198-I200 HydrophobicContact CB-CD1 4.4Å; I200-S202 PolarHBondContact O-N 2.88Å; I200-F210 HydrophobicContact CB-CZ 4.36Å; I200-F210 HydrophobicContact CD1-CE1 3.56Å; I200-F210 HydrophobicContact CD1-CZ 3.43Å; I200-F210 VanDerWaalsContact CD1-CZ 3.43Å; I200-F210 HydrophobicContact CG1-CE1 4.4Å; I200-F210 HydrophobicContact CG1-CZ 3.84Å; I200-F210 HydrophobicContact CG2-CE2 4.22Å; I200-F210 HydrophobicContact CG2-CZ 3.86Å; I200-Y350 HydrophobicContact CD1-CD1 3.35Å; I200-Y350 HydrophobicContact CD1-CE1 4.14Å; I200-Y350 HydrophobicContact CD1-CG 4.01Å; I200-F351 PolarHBondContact N-O 3.03Å; I200-L353 PolarHBondContact O-N 3.47Å; I200-L353 VanDerWaalsContact O-N 3.08Å
201H84.3Confident75.5Confident96 Ų9655 Ų5544%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-83.9103.3162.2-168.7-174.1000109T184 L186 L353 F354 I359T184-H201 PolarHBondContact O-N 3.37Å; L186-H201 HydrophobicContact CD1-CB 3.99Å; L186-H201 HydrophobicContact CD2-CB 4Å; L186-H201 HydrophobicContact CG-CB 4.11Å; H201-L353 WeakPolarHBondContact CA-O 3.25Å; H201-F354 PolarHBondContact NE2-O 3.13Å; H201-I359 HydrophobicContact CB-CD1 4.17Å
202S77.5Confident75.6Confident12 Ų1254.4 Ų54.48%0.08430%0.299CS..  trans-165.9152.6170.4-162.20000110.3I200 V352 L353I200-S202 PolarHBondContact O-N 2.88Å; S202-V352 WeakPolarHBondContact O-CG1 3.3Å; S202-L353 PolarHBondContact N-O 3.08Å; S202-L353 CarbonylContact O-C 3.58Å
203E70.6Confident76.4Confident118 Ų11846.1 Ų46.155%0.55126%0.263SS*.  trans-74.9147.8159.5-68.9178.2-149.700109.8S205 N206 F354E203-S205 WeakPolarHBondContact CB-OG 3.25Å; E203-S205 PolarHBondContact O-N 2.93Å; E203-S205 WeakPolarHBondContact OE2-CB 3.22Å; E203-S205 PolarHBondContact OE2-OG 2.69Å; E203-N206 PolarHBondContact O-N 3.35Å; E203-F354 HydrophobicContact CG-CB 4.09Å
204I64.8Low76.9Confident17 Ų1742.1 Ų42.19%0.08724%0.242CC..G310 helixtrans-64.7-21.6168.5-71.7171.1000111.3N206 L207 L229 L233 K236 P312 V352I204-N206 PolarHBondContact O-N 3.3Å; I204-L207 HydrophobicContact CB-CD1 4.43Å; I204-L207 HydrophobicContact CB-CG 4.44Å; I204-L207 HydrophobicContact CG1-CD1 4.44Å; I204-L207 HydrophobicContact CG2-CD1 3.7Å; I204-L207 HydrophobicContact CG2-CG 4.12Å; I204-L207 PolarHBondContact O-N 2.64Å; I204-L229 HydrophobicContact CB-CD1 3.76Å; I204-L229 HydrophobicContact CD1-CD1 3.72Å; I204-L229 HydrophobicContact CD1-CD2 4.34Å; I204-L229 HydrophobicContact CG1-CD1 4.33Å; I204-L229 HydrophobicContact CG2-CD1 3.34Å; I204-L233 HydrophobicContact CG2-CD2 4.25Å; I204-K236 PolarHBondContact O-NZ 3.34Å; I204-P312 HydrophobicContact CD1-CB 3.81Å; I204-P312 HydrophobicContact CD1-CG 4.44Å; I204-V352 HydrophobicContact CD1-CB 4.41Å; I204-V352 HydrophobicContact CG1-CB 4.01Å; I204-V352 HydrophobicContact CG1-CG1 3.64Å
205S56.8Low77.3Confident43 Ų4339.8 Ų39.830%0.30122%0.218SC..G310 helixtrans-55.3-17.4165.5850000113.4E203 K236E203-S205 WeakPolarHBondContact CB-OG 3.25Å; E203-S205 PolarHBondContact O-N 2.93Å; E203-S205 WeakPolarHBondContact OE2-CB 3.22Å; E203-S205 PolarHBondContact OE2-OG 2.69Å; S205-K236 WeakPolarHBondContact O-CE 3.45Å; S205-K236 PolarHBondContact O-NZ 2.99Å
206N64Low77.5Confident81 Ų8139.5 Ų39.543%0.43322%0.217SC..G310 helixtrans-120.828.3179.3-153.448000114.9E203 I204 A208E203-N206 PolarHBondContact O-N 3.35Å; I204-N206 PolarHBondContact O-N 3.3Å; N206-A208 PolarHBondContact O-N 3.46Å
207L59.9Low77.5Confident2 Ų234.4 Ų34.41%0.0120%0.195CC..  trans-62.57.7169.4-71.2-178.6000116.1I204 G209 F210 I215 V352I204-L207 HydrophobicContact CB-CD1 4.43Å; I204-L207 HydrophobicContact CB-CG 4.44Å; I204-L207 HydrophobicContact CG1-CD1 4.44Å; I204-L207 HydrophobicContact CG2-CD1 3.7Å; I204-L207 HydrophobicContact CG2-CG 4.12Å; I204-L207 PolarHBondContact O-N 2.64Å; L207-G209 PolarHBondContact O-N 2.7Å; L207-F210 HydrophobicContact CD2-CB 4.23Å; L207-F210 HydrophobicContact CD2-CD2 3.68Å; L207-F210 HydrophobicContact CD2-CE2 4.27Å; L207-F210 HydrophobicContact CD2-CG 4.02Å; L207-F210 PolarHBondContact O-N 2.61Å; L207-I215 HydrophobicContact CD1-CD1 3.4Å; L207-I215 HydrophobicContact CD1-CG1 3.64Å; L207-I215 HydrophobicContact CD1-CG2 4.41Å; L207-V352 HydrophobicContact CD2-CG1 4.43Å; L207-V352 HydrophobicContact CD2-CG2 4.36Å
208A42.8Very low77.4Confident59 Ų5935.5 Ų35.549%0.48820%0.202SC..THydrogen-bonded Turntrans-69.3119.4173.900000109.1N206N206-A208 PolarHBondContact O-N 3.46Å
209G50.6Low77.5Confident53 Ų5334.8 Ų34.855%0.54620%0.198SC..THydrogen-bonded Turntrans101.3-1.4-172.700000115.3L207L207-G209 PolarHBondContact O-N 2.7Å
210F61.1Low77.5Confident8 Ų836.7 Ų36.74%0.03521%0.208CC..  trans-90.5119.1170.9-94.9-80.5000112.6F183 I200 L207 V212 Y350F183-F210 HydrophobicContact CB-CE2 3.63Å; F183-F210 HydrophobicContact CB-CZ 3.95Å; F183-F210 AromaticContact CD1-CD2 3.67Å; F183-F210 HydrophobicContact CD1-CD2 3.67Å; F183-F210 HydrophobicContact CD1-CE1 4.18Å; F183-F210 AromaticContact CD1-CE2 3.25Å; F183-F210 HydrophobicContact CD1-CE2 3.25Å; F183-F210 HydrophobicContact CD1-CG 4.3Å; F183-F210 AromaticContact CD1-CZ 3.52Å; F183-F210 HydrophobicContact CD1-CZ 3.52Å; F183-F210 AromaticContact CD2-CE1 3.99Å; F183-F210 HydrophobicContact CD2-CE1 3.99Å; F183-F210 AromaticContact CD2-CE2 3.83Å; F183-F210 HydrophobicContact CD2-CE2 3.83Å; F183-F210 AromaticContact CD2-CZ 3.28Å; F183-F210 HydrophobicContact CD2-CZ 3.28Å; F183-F210 HydrophobicContact CE1-CD1 4.07Å; F183-F210 AromaticContact CE1-CD2 3.92Å; F183-F210 HydrophobicContact CE1-CD2 3.92Å; F183-F210 AromaticContact CE1-CE1 3.88Å; F183-F210 HydrophobicContact CE1-CE1 3.88Å; F183-F210 AromaticContact CE1-CE2 3.76Å; F183-F210 HydrophobicContact CE1-CE2 3.76Å; F183-F210 HydrophobicContact CE1-CG 4.07Å; F183-F210 AromaticContact CE1-CZ 3.71Å; F183-F210 HydrophobicContact CE1-CZ 3.71Å; F183-F210 AromaticContact CE2-CE1 3.68Å; F183-F210 HydrophobicContact CE2-CE1 3.68Å; F183-F210 HydrophobicContact CE2-CE2 4.26Å; F183-F210 AromaticContact CE2-CZ 3.48Å; F183-F210 HydrophobicContact CE2-CZ 3.48Å; F183-F210 VanDerWaalsContact CE2-CZ 3.48Å; F183-F210 HydrophobicContact CG-CD2 4.18Å; F183-F210 HydrophobicContact CG-CE1 4.23Å; F183-F210 AromaticContact CG-CE2 3.29Å; F183-F210 HydrophobicContact CG-CE2 3.29Å; F183-F210 AromaticContact CG-CZ 3.29Å; F183-F210 HydrophobicContact CG-CZ 3.29Å; F183-F210 HydrophobicContact CZ-CD1 4.08Å; F183-F210 AromaticContact CZ-CE1 3.62Å; F183-F210 HydrophobicContact CZ-CE1 3.62Å; F183-F210 HydrophobicContact CZ-CE2 4.23Å; F183-F210 AromaticContact CZ-CZ 3.69Å; F183-F210 HydrophobicContact CZ-CZ 3.69Å; I200-F210 HydrophobicContact CB-CZ 4.36Å; I200-F210 HydrophobicContact CD1-CE1 3.56Å; I200-F210 HydrophobicContact CD1-CZ 3.43Å; I200-F210 VanDerWaalsContact CD1-CZ 3.43Å; I200-F210 HydrophobicContact CG1-CE1 4.4Å; I200-F210 HydrophobicContact CG1-CZ 3.84Å; I200-F210 HydrophobicContact CG2-CE2 4.22Å; I200-F210 HydrophobicContact CG2-CZ 3.86Å; L207-F210 HydrophobicContact CD2-CB 4.23Å; L207-F210 HydrophobicContact CD2-CD2 3.68Å; L207-F210 HydrophobicContact CD2-CE2 4.27Å; L207-F210 HydrophobicContact CD2-CG 4.02Å; L207-F210 PolarHBondContact O-N 2.61Å; F210-V212 HydrophobicContact CB-CG1 4.2Å; F210-V212 PolarHBondContact O-N 3.39Å; F210-Y350 HydrophobicContact CD1-CE2 4.45Å; F210-Y350 HydrophobicContact CE1-CD1 4.07Å; F210-Y350 HydrophobicContact CE1-CE1 4.07Å; F210-Y350 HydrophobicContact CE1-CG 4.36Å
211E68.9Low77.8Confident181 Ų18138.6 Ų38.685%0.84622%0.224SC*.  trans-78.361.6162.9-65.2-164.6163.200111.2S308E211-S308 PolarHBondContact O-OG 2.71Å
212V88.4Confident78.3Confident3 Ų338.4 Ų38.42%0.01823%0.226CC..  trans-99.2127.2171.8710000110.3F210 A214 I215 A270 S308 A310 Y350F210-V212 HydrophobicContact CB-CG1 4.2Å; F210-V212 PolarHBondContact O-N 3.39Å; V212-A214 VanDerWaalsContact CG2-O 3.3Å; V212-A214 WeakPolarHBondContact CG2-O 3.45Å; V212-I215 HydrophobicContact CG1-CG1 4.15Å; V212-A270 HydrophobicContact CG1-CB 4.19Å; V212-A270 WeakPolarHBondContact O-CA 3.18Å; V212-A270 VanDerWaalsContact O-CB 3.25Å; V212-A270 WeakPolarHBondContact O-CB 3.35Å; V212-S308 WeakPolarHBondContact CA-OG 3.36Å; V212-A310 HydrophobicContact CG1-CB 4.4Å; V212-A310 HydrophobicContact CG2-CB 3.8Å; V212-Y350 HydrophobicContact CB-CD2 4.22Å; V212-Y350 HydrophobicContact CB-CE2 4.29Å; V212-Y350 HydrophobicContact CG2-CD2 3.86Å; V212-Y350 HydrophobicContact CG2-CE2 4.23Å
213E94.3Very high79.1Confident30 Ų3037.9 Ų37.914%0.1422%0.223CC..SBendtrans-82.5-27.9-175.3-65.5-172.7140.400113.4K271 F272 L306 K307 S308E213-K271 HydrophobicContact CB-CD 4.25Å; E213-K271 HydrophobicContact CG-CD 4.04Å; E213-K271 WeakPolarHBondContact O-CB 3.4Å; E213-K271 PolarHBondContact O-N 3.12Å; E213-K271 IonicContact OE1-NZ 2.75Å; E213-K271 PolarHBondContact OE1-NZ 3.05Å; E213-F272 PolarHBondContact O-N 3.39Å; E213-L306 HydrophobicContact CB-CB 4.12Å; E213-L306 HydrophobicContact CB-CD2 4.13Å; E213-L306 HydrophobicContact CB-CG 4.47Å; E213-L306 WeakPolarHBondContact OE2-CA 3.35Å; E213-K307 PolarHBondContact OE2-N 3.04Å; E213-S308 PolarHBondContact N-O 3.5Å; E213-S308 VanDerWaalsContact N-O 3.09Å; E213-S308 PolarHBondContact N-OG 3.03Å
214A94.9Very high79.9Confident0 Ų032.8 Ų32.80%020%0.199CC..EExtended strand (participates in β ladder)trans-133.1141.4169.500000114.1V212 F272 I274 L306 S308 I309 A310V212-A214 VanDerWaalsContact CG2-O 3.3Å; V212-A214 WeakPolarHBondContact CG2-O 3.45Å; A214-F272 WeakPolarHBondContact CA-O 3.35Å; A214-F272 HydrophobicContact CB-CB 4.4Å; A214-I274 HydrophobicContact CB-CD1 3.87Å; A214-I274 HydrophobicContact CB-CG1 4.29Å; A214-L306 HydrophobicContact CB-CD1 3.54Å; A214-S308 PolarHBondContact N-O 2.89Å; A214-S308 VanDerWaalsContact N-O 3.09Å; A214-I309 HydrophobicContact CB-CG1 4.15Å; A214-I309 CarbonylContact O-C 3.59Å; A214-I309 WeakPolarHBondContact O-CA 3.38Å; A214-A310 PolarHBondContact O-N 3.45Å
215I93.8Very high81.1Confident1 Ų132.8 Ų32.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-106134168.9-59.1159000108.7L207 V212 L233 A270 F272 V273 I274L207-I215 HydrophobicContact CD1-CD1 3.4Å; L207-I215 HydrophobicContact CD1-CG1 3.64Å; L207-I215 HydrophobicContact CD1-CG2 4.41Å; V212-I215 HydrophobicContact CG1-CG1 4.15Å; I215-L233 HydrophobicContact CD1-CD2 4.23Å; I215-L233 HydrophobicContact CG2-CD2 4.47Å; I215-A270 HydrophobicContact CD1-CB 3.55Å; I215-A270 HydrophobicContact CG1-CB 3.63Å; I215-F272 PolarHBondContact N-O 3Å; I215-F272 VanDerWaalsContact N-O 3.12Å; I215-V273 CarbonylContact O-C 3.58Å; I215-V273 WeakPolarHBondContact O-CA 3.35Å; I215-I274 PolarHBondContact O-N 2.9Å
216I94.8Very high82.6Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-82133169.6-55.7-58000110.1P218 I274 C297 I309 A310 F311 I314I216-P218 HydrophobicContact CG2-CG 4.31Å; I216-I274 CarbonylContact C-O 3.28Å; I216-I274 WeakPolarHBondContact CA-O 3.5Å; I216-I274 HydrophobicContact CD1-CB 3.85Å; I216-I274 HydrophobicContact CD1-CD1 4.45Å; I216-I274 HydrophobicContact CD1-CG2 3.96Å; I216-C297 HydrophobicContact CD1-CB 3.66Å; I216-I309 HydrophobicContact CD1-CD1 3.66Å; I216-I309 HydrophobicContact CD1-CG1 4Å; I216-I309 HydrophobicContact CG1-CD1 4.34Å; I216-I309 HydrophobicContact CG1-CG1 4.24Å; I216-A310 WeakPolarHBondContact CB-O 3.44Å; I216-A310 WeakPolarHBondContact CG1-O 3.38Å; I216-A310 PolarHBondContact N-O 3.03Å; I216-F311 HydrophobicContact CD1-CE2 4.5Å; I216-F311 HydrophobicContact CD1-CZ 4.35Å; I216-F311 HydrophobicContact CG1-CD1 4.07Å; I216-F311 HydrophobicContact CG1-CD2 4.01Å; I216-F311 HydrophobicContact CG1-CE1 4.11Å; I216-F311 HydrophobicContact CG1-CE2 4.09Å; I216-F311 HydrophobicContact CG1-CG 3.99Å; I216-F311 HydrophobicContact CG1-CZ 4.12Å; I216-I314 HydrophobicContact CG2-CD1 3.73Å
217N93.8Very high83.6Confident0 Ų036.7 Ų36.70%021%0.209CC..EExtended strand (participates in β ladder)trans-121.895174.5-176.430.1000110.9T219 L225 L233 V273 I274 H275 C276N217-T219 PolarHBondContact O-N 2.97Å; N217-L225 WeakPolarHBondContact ND2-CD2 3.42Å; N217-L233 HydrophobicContact CB-CD1 3.95Å; N217-V273 HydrophobicContact CB-CG1 3.66Å; N217-I274 PolarHBondContact N-O 3.24Å; N217-H275 PolarHBondContact ND2-ND1 3.32Å; N217-H275 VanDerWaalsContact ND2-ND1 3.17Å; N217-H275 WeakPolarHBondContact O-CA 3.34Å; N217-C276 PolarHBondContact O-N 2.96Å
218P92.7Very high84.7Confident24 Ų2443.6 Ų43.616%0.15625%0.245CC..EExtended strand (participates in β ladder)trans-65.3121.4173-21.936.1000110.7I216 C276 P312 I314I216-P218 HydrophobicContact CG2-CG 4.31Å; P218-C276 WeakPolarHBondContact CA-O 3.44Å; P218-P312 HydrophobicContact CG-CG 3.72Å; P218-I314 HydrophobicContact CB-CG2 4.2Å; P218-I314 HydrophobicContact CG-CB 4.21Å; P218-I314 HydrophobicContact CG-CD1 4.33Å; P218-I314 HydrophobicContact CG-CG1 3.81Å; P218-I314 HydrophobicContact CG-CG2 3.98Å
219T93.2Very high86.8Confident3 Ų341.7 Ų41.72%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-138.4-164.3-175.9-174.40000109.1N217 I223 D224 H275 C276 N277N217-T219 PolarHBondContact O-N 2.97Å; T219-I223 HydrophobicContact CG2-CB 4.45Å; T219-I223 HydrophobicContact CG2-CG2 4.19Å; T219-I223 WeakPolarHBondContact OG1-CA 3.38Å; T219-D224 PolarHBondContact OG1-N 3.32Å; T219-D224 PolarHBondContact OG1-O 2.97Å; T219-H275 HydrophobicContact CG2-CB 4.05Å; T219-C276 PolarHBondContact N-O 2.66Å; T219-N277 WeakPolarHBondContact O-CA 3.43Å
220N92.8Very high88.6Confident39 Ų3939.1 Ų39.121%0.20920%0.201CC..  trans-112.4-175.1178.856.811.5000111.4D222 I223 D224 R318N220-D222 PolarHBondContact O-N 2.93Å; N220-D222 PolarHBondContact OD1-N 3.5Å; N220-I223 PolarHBondContact O-N 2.55Å; N220-I223 PolarHBondContact OD1-N 2.93Å; N220-D224 PolarHBondContact ND2-OD2 3.49Å; N220-D224 PolarHBondContact OD1-N 2.95Å; N220-R318 PolarHBondContact ND2-NH2 2.92Å
221A94.6Very high89.9Confident41 Ų4141.1 Ų41.134%0.33922%0.216SC..THydrogen-bonded Turntrans-57.2-29.7177.800000113.5I223 P254 L255 N277A221-I223 VanDerWaalsContact C-N 3.3Å; A221-I223 PolarHBondContact O-N 3.08Å; A221-P254 CarbonylContact O-C 3.52Å; A221-P254 VanDerWaalsContact O-CA 3.29Å; A221-P254 WeakPolarHBondContact O-CA 3.24Å; A221-L255 WeakPolarHBondContact CA-O 3.33Å; A221-L255 WeakPolarHBondContact CB-O 3.38Å; A221-L255 PolarHBondContact O-N 2.86Å; A221-N277 PolarHBondContact N-ND2 2.85Å
222D93.9Very high90.8Very high91 Ų9134.3 Ų34.349%0.48719%0.186SC..THydrogen-bonded Turntrans-72.1-20.4176-91.3-56.3000113.6N220 R249N220-D222 PolarHBondContact O-N 2.93Å; N220-D222 PolarHBondContact OD1-N 3.5Å; D222-R249 PolarHBondContact O-NE 3Å; D222-R249 PolarHBondContact O-NH1 2.99Å; D222-R249 PolarHBondContact O-NH2 3.38Å; D222-R249 IonicContact OD1-NH1 3.18Å; D222-R249 PolarHBondContact OD1-NH1 3.45Å
223I93.5Very high90.9Very high1 Ų134.2 Ų34.21%0.00519%0.186CC..  trans57.456.4-162.4-42.5170.8000109.4T219 N220 A221 V245 R249 L255 V261 H275T219-I223 HydrophobicContact CG2-CB 4.45Å; T219-I223 HydrophobicContact CG2-CG2 4.19Å; T219-I223 WeakPolarHBondContact OG1-CA 3.38Å; N220-I223 PolarHBondContact O-N 2.55Å; N220-I223 PolarHBondContact OD1-N 2.93Å; A221-I223 VanDerWaalsContact C-N 3.3Å; A221-I223 PolarHBondContact O-N 3.08Å; I223-V245 HydrophobicContact CG2-CG1 3.97Å; I223-R249 VanDerWaalsContact C-NH2 3.33Å; I223-R249 PolarHBondContact O-NH2 2.87Å; I223-L255 HydrophobicContact CG1-CB 4.24Å; I223-L255 HydrophobicContact CG1-CD2 4.31Å; I223-V261 HydrophobicContact CD1-CG2 3.72Å; I223-H275 HydrophobicContact CG2-CB 3.96Å
224D89.2Confident90.7Very high11 Ų1136.8 Ų36.86%0.05920%0.198CC..  trans-81.6156171.287.935000112.8T219 N220 K226 R318T219-D224 PolarHBondContact OG1-N 3.32Å; T219-D224 PolarHBondContact OG1-O 2.97Å; N220-D224 PolarHBondContact ND2-OD2 3.49Å; N220-D224 PolarHBondContact OD1-N 2.95Å; D224-K226 HydrophobicContact CB-CD 4.26Å; D224-K226 HydrophobicContact CB-CG 4.1Å; D224-K226 WeakPolarHBondContact OD1-CB 3.45Å; D224-K226 PolarHBondContact OD1-N 3.42Å; D224-R318 IonicContact OD1-CZ 3.81Å; D224-R318 IonicContact OD1-NH1 2.61Å; D224-R318 PolarHBondContact OD1-NH1 3.42Å; D224-R318 IonicContact OD1-NH2 3.81Å; D224-R318 PolarHBondContact OD1-NH2 3.41Å; D224-R318 IonicContact OD2-CZ 3.77Å; D224-R318 IonicContact OD2-NH1 2.7Å; D224-R318 IonicContact OD2-NH2 2.9Å; D224-R318 PolarHBondContact OD2-NH2 2.96Å
225L89.8Confident90.5Very high17 Ų1745.6 Ų45.69%0.08924%0.236CC..  trans-110.628.3176.5-59.5179.7000110.8N217 G230 S231 E234 F241 V242 V245N217-L225 WeakPolarHBondContact ND2-CD2 3.42Å; L225-G230 CarbonylContact O-C 3.22Å; L225-G230 VanDerWaalsContact O-C 3.22Å; L225-S231 WeakPolarHBondContact O-CA 3.17Å; L225-S231 PolarHBondContact O-N 2.79Å; L225-E234 HydrophobicContact CD1-CB 4.13Å; L225-F241 HydrophobicContact CD1-CD1 4.37Å; L225-F241 HydrophobicContact CD1-CE1 3.87Å; L225-F241 HydrophobicContact CD2-CE1 4.28Å; L225-V242 HydrophobicContact CD1-CG2 4.47Å; L225-V245 HydrophobicContact CD1-CG1 4.37Å; L225-V245 HydrophobicContact CD1-CG2 4.46Å; L225-V245 HydrophobicContact CG-CG1 4.43Å
226K87.4Confident90.2Very high173 Ų17348.8 Ų48.875%0.75225%0.25SC*.  trans-88.8-5.8-167.5-66178.3-179.6171.20114.8D224D224-K226 HydrophobicContact CB-CD 4.26Å; D224-K226 HydrophobicContact CB-CG 4.1Å; D224-K226 WeakPolarHBondContact OD1-CB 3.45Å; D224-K226 PolarHBondContact OD1-N 3.42Å
227D84.8Confident90Very high33 Ų3349 Ų4918%0.17625%0.253CS..SBendtrans-90176.317774.2-58.5000111.7L229 G230 S231D227-L229 PolarHBondContact O-N 2.87Å; D227-L229 WeakPolarHBondContact OD2-CB 3.36Å; D227-L229 PolarHBondContact OD2-N 3.3Å; D227-L229 VanDerWaalsContact OD2-N 3.14Å; D227-G230 PolarHBondContact O-N 2.83Å; D227-G230 WeakPolarHBondContact OD1-CA 3.29Å; D227-G230 PolarHBondContact OD1-N 3.21Å; D227-S231 VanDerWaalsContact O-CB 3.31Å; D227-S231 WeakPolarHBondContact O-CB 3.14Å; D227-S231 PolarHBondContact O-N 3.03Å; D227-S231 PolarHBondContact O-OG 3.1Å
228D83.9Confident89.8Confident147 Ų14750.5 Ų50.579%0.78627%0.268SS*.Hα-helixtrans-60.8-32.3-177.2-56.3-47.4000112.6T232D228-T232 WeakPolarHBondContact O-CB 3.37Å; D228-T232 PolarHBondContact O-N 3.09Å; D228-T232 PolarHBondContact O-OG1 3.26Å
229L86.4Confident89.9Confident19 Ų1956.3 Ų56.310%0.09929%0.29CS..Hα-helixtrans-79.9-51176.117459.8000111.6I204 D227 S231 T232 L233 P312I204-L229 HydrophobicContact CB-CD1 3.76Å; I204-L229 HydrophobicContact CD1-CD1 3.72Å; I204-L229 HydrophobicContact CD1-CD2 4.34Å; I204-L229 HydrophobicContact CG1-CD1 4.33Å; I204-L229 HydrophobicContact CG2-CD1 3.34Å; D227-L229 PolarHBondContact O-N 2.87Å; D227-L229 WeakPolarHBondContact OD2-CB 3.36Å; D227-L229 PolarHBondContact OD2-N 3.3Å; D227-L229 VanDerWaalsContact OD2-N 3.14Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.29Å; L229-T232 WeakPolarHBondContact O-CB 3.12Å; L229-T232 PolarHBondContact O-N 3.01Å; L229-T232 VanDerWaalsContact O-N 3.15Å; L229-L233 HydrophobicContact CD1-CD1 3.96Å; L229-L233 HydrophobicContact CD1-CG 4Å; L229-L233 HydrophobicContact CG-CD1 4.06Å; L229-L233 HydrophobicContact CG-CG 4.48Å; L229-L233 WeakPolarHBondContact O-CG 3.41Å; L229-L233 PolarHBondContact O-N 2.99Å; L229-P312 HydrophobicContact CD2-CB 4.28Å; L229-P312 HydrophobicContact CD2-CG 3.93Å
230G88.9Confident89.9Confident0 Ų061.8 Ų61.80%032%0.316CS..Hα-helixtrans-55.7-47179.800000112.6L225 D227 T232 L233 E234L225-G230 CarbonylContact O-C 3.22Å; L225-G230 VanDerWaalsContact O-C 3.22Å; D227-G230 PolarHBondContact O-N 2.83Å; D227-G230 WeakPolarHBondContact OD1-CA 3.29Å; D227-G230 PolarHBondContact OD1-N 3.21Å; G230-T232 VanDerWaalsContact C-N 3.31Å; G230-T232 PolarHBondContact O-N 2.97Å; G230-L233 PolarHBondContact O-N 3.11Å; G230-E234 WeakPolarHBondContact O-CB 3.31Å; G230-E234 PolarHBondContact O-N 3.31Å
231S88.5Confident89.9Confident50 Ų5059.9 Ų59.935%0.3531%0.306SS..Hα-helixtrans-69-30.1179.8610000112.6L225 D227 L229 K235L225-S231 WeakPolarHBondContact O-CA 3.17Å; L225-S231 PolarHBondContact O-N 2.79Å; D227-S231 VanDerWaalsContact O-CB 3.31Å; D227-S231 WeakPolarHBondContact O-CB 3.14Å; D227-S231 PolarHBondContact O-N 3.03Å; D227-S231 PolarHBondContact O-OG 3.1Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.29Å; S231-K235 VanDerWaalsContact O-CB 3.22Å; S231-K235 WeakPolarHBondContact O-CB 3.46Å; S231-K235 PolarHBondContact O-N 3.08Å
232T88.1Confident89.9Confident37 Ų3759.4 Ų59.423%0.22730%0.299CS..Hα-helixtrans-68.6-39.5171.2-720000112.1D228 L229 G230 K236D228-T232 WeakPolarHBondContact O-CB 3.37Å; D228-T232 PolarHBondContact O-N 3.09Å; D228-T232 PolarHBondContact O-OG1 3.26Å; L229-T232 WeakPolarHBondContact O-CB 3.12Å; L229-T232 PolarHBondContact O-N 3.01Å; L229-T232 VanDerWaalsContact O-N 3.15Å; G230-T232 VanDerWaalsContact C-N 3.31Å; G230-T232 PolarHBondContact O-N 2.97Å; T232-K236 PolarHBondContact O-N 3.37Å
233L89.3Confident90Very high1 Ų159.8 Ų59.81%0.00530%0.298CS..Hα-helixtrans-69.8-43.3175.6-67172.5000111.1I204 I215 N217 L229 G230 K235 K236 G237 F241 L268 V273I204-L233 HydrophobicContact CG2-CD2 4.25Å; I215-L233 HydrophobicContact CD1-CD2 4.23Å; I215-L233 HydrophobicContact CG2-CD2 4.47Å; N217-L233 HydrophobicContact CB-CD1 3.95Å; L229-L233 HydrophobicContact CD1-CD1 3.96Å; L229-L233 HydrophobicContact CD1-CG 4Å; L229-L233 HydrophobicContact CG-CD1 4.06Å; L229-L233 HydrophobicContact CG-CG 4.48Å; L229-L233 WeakPolarHBondContact O-CG 3.41Å; L229-L233 PolarHBondContact O-N 2.99Å; G230-L233 PolarHBondContact O-N 3.11Å; L233-K235 PolarHBondContact O-N 2.82Å; L233-K236 PolarHBondContact O-N 3.2Å; L233-G237 PolarHBondContact O-N 3.14Å; L233-F241 HydrophobicContact CB-CE1 3.65Å; L233-F241 HydrophobicContact CB-CZ 4.03Å; L233-L268 HydrophobicContact CD2-CD1 4.06Å; L233-L268 HydrophobicContact CD2-CD2 4.16Å; L233-V273 HydrophobicContact CD1-CG1 4.27Å
234E91.3Very high90Very high84 Ų8460.7 Ų60.739%0.39331%0.305SS..Hα-helixtrans-54.6-50.9171.1170.3163.7-144.100111.8L225 G230 K236 G238 V242L225-E234 HydrophobicContact CD1-CB 4.13Å; G230-E234 WeakPolarHBondContact O-CB 3.31Å; G230-E234 PolarHBondContact O-N 3.31Å; E234-K236 PolarHBondContact O-N 2.82Å; E234-G238 WeakPolarHBondContact O-CA 3.34Å; E234-G238 PolarHBondContact O-N 3.39Å; E234-V242 HydrophobicContact CB-CG2 4.24Å; E234-V242 HydrophobicContact CG-CG2 3.63Å; E234-V242 WeakPolarHBondContact OE1-CG2 3.42Å
235K90Very high90.3Very high186 Ų18660.4 Ų60.481%0.80930%0.303SS*.Hα-helixtrans-62.3-27-179.7-177.3176.6177.6-176.30113.9S231 L233S231-K235 VanDerWaalsContact O-CB 3.22Å; S231-K235 WeakPolarHBondContact O-CB 3.46Å; S231-K235 PolarHBondContact O-N 3.08Å; L233-K235 PolarHBondContact O-N 2.82Å
236K88.3Confident90.4Very high67 Ų6763.2 Ų63.229%0.29132%0.318SS..Hα-helixtrans-89.3-53.9177.1-79.4-175.1168.3-1790113.1I204 S205 T232 L233 E234 G238 L268I204-K236 PolarHBondContact O-NZ 3.34Å; S205-K236 WeakPolarHBondContact O-CE 3.45Å; S205-K236 PolarHBondContact O-NZ 2.99Å; T232-K236 PolarHBondContact O-N 3.37Å; L233-K236 PolarHBondContact O-N 3.2Å; E234-K236 PolarHBondContact O-N 2.82Å; K236-G238 PolarHBondContact O-N 3.23Å; K236-L268 HydrophobicContact CB-CD2 3.55Å; K236-L268 HydrophobicContact CD-CD2 4.32Å
237G88.8Confident90.8Very high6 Ų661.3 Ų61.36%0.06231%0.312CS..Hα-helixtrans-70.6-19.6-177.500000113.3L233 H266L233-G237 PolarHBondContact O-N 3.14Å; G237-H266 WeakPolarHBondContact CA-O 3.43Å
238G91.5Very high91.2Very high30 Ų3060.6 Ų60.631%0.30931%0.308SS..Hα-helixtrans63.9-155.4175.400000112.7E234 K236 E240 F241 V242E234-G238 WeakPolarHBondContact O-CA 3.34Å; E234-G238 PolarHBondContact O-N 3.39Å; K236-G238 PolarHBondContact O-N 3.23Å; G238-E240 VanDerWaalsContact C-N 3.34Å; G238-E240 PolarHBondContact O-N 3.28Å; G238-F241 PolarHBondContact O-N 3.22Å; G238-V242 WeakPolarHBondContact O-CG2 3.43Å; G238-V242 PolarHBondContact O-N 2.65Å
239K93.5Very high91.7Very high146 Ų14657.9 Ų57.964%0.63529%0.287SS*.Hα-helixtrans-60.1-40.1-172.4-173173.8173.3-71.90113F241 V242 E243K239-F241 PolarHBondContact O-N 2.72Å; K239-V242 PolarHBondContact O-N 2.98Å; K239-E243 WeakPolarHBondContact CE-OE1 3.37Å; K239-E243 HydrophobicContact CG-CG 4.41Å; K239-E243 IonicContact NZ-OE1 2.71Å; K239-E243 PolarHBondContact NZ-OE1 3.31Å; K239-E243 IonicContact NZ-OE2 2.86Å; K239-E243 PolarHBondContact NZ-OE2 3.16Å; K239-E243 WeakPolarHBondContact O-CB 3.29Å; K239-E243 WeakPolarHBondContact O-CG 3.14Å; K239-E243 PolarHBondContact O-N 3.38Å
240E93.4Very high92Very high118 Ų11865.1 Ų65.155%0.55132%0.317SS*.Hα-helixtrans-62.3-42.1179.3-65.8-177.8-16300112.6G238 E243 A244 H266G238-E240 VanDerWaalsContact C-N 3.34Å; G238-E240 PolarHBondContact O-N 3.28Å; E240-E243 PolarHBondContact O-N 2.97Å; E240-A244 WeakPolarHBondContact O-CB 3.33Å; E240-A244 PolarHBondContact O-N 3.24Å; E240-H266 HydrophobicContact CB-CB 3.55Å; E240-H266 IonicContact OE2-CG 3.24Å; E240-H266 IonicContact OE2-ND1 3.49Å; E240-H266 PolarHBondContact OE2-ND1 2.72Å
241F93.9Very high92.2Very high0 Ų073 Ų730%035%0.352CS..Hα-helixtrans-65.5-44.1176.6176.4-113.3000111.8L225 L233 G238 K239 E243 A244 V245 H266 L268 V273L225-F241 HydrophobicContact CD1-CD1 4.37Å; L225-F241 HydrophobicContact CD1-CE1 3.87Å; L225-F241 HydrophobicContact CD2-CE1 4.28Å; L233-F241 HydrophobicContact CB-CE1 3.65Å; L233-F241 HydrophobicContact CB-CZ 4.03Å; G238-F241 PolarHBondContact O-N 3.22Å; K239-F241 PolarHBondContact O-N 2.72Å; F241-E243 VanDerWaalsContact C-N 3.32Å; F241-E243 PolarHBondContact O-N 3.18Å; F241-A244 PolarHBondContact O-N 2.69Å; F241-V245 HydrophobicContact CD2-CG2 4.31Å; F241-V245 HydrophobicContact CE1-CG2 4.24Å; F241-V245 HydrophobicContact CE2-CG2 3.88Å; F241-V245 HydrophobicContact CZ-CG2 3.85Å; F241-V245 WeakPolarHBondContact O-CG2 3.45Å; F241-V245 PolarHBondContact O-N 3Å; F241-H266 HydrophobicContact CB-CB 4.38Å; F241-L268 HydrophobicContact CD2-CD1 4.08Å; F241-L268 HydrophobicContact CE2-CD1 4.04Å; F241-L268 HydrophobicContact CZ-CD1 4.42Å; F241-V273 HydrophobicContact CE2-CB 3.97Å; F241-V273 HydrophobicContact CE2-CG1 4.43Å; F241-V273 HydrophobicContact CE2-CG2 3.63Å; F241-V273 HydrophobicContact CZ-CB 4.39Å; F241-V273 HydrophobicContact CZ-CG1 4.35Å; F241-V273 HydrophobicContact CZ-CG2 4.11Å
242V94.3Very high92.3Very high31 Ų3174.7 Ų74.719%0.18836%0.357CS..Hα-helixtrans-61.9-41.3176.7176.20000111.1L225 E234 G238 K239 V245 I246L225-V242 HydrophobicContact CD1-CG2 4.47Å; E234-V242 HydrophobicContact CB-CG2 4.24Å; E234-V242 HydrophobicContact CG-CG2 3.63Å; E234-V242 WeakPolarHBondContact OE1-CG2 3.42Å; G238-V242 WeakPolarHBondContact O-CG2 3.43Å; G238-V242 PolarHBondContact O-N 2.65Å; K239-V242 PolarHBondContact O-N 2.98Å; V242-V245 PolarHBondContact O-N 3.02Å; V242-I246 HydrophobicContact CG1-CD1 3.79Å; V242-I246 HydrophobicContact CG1-CG1 4.46Å; V242-I246 WeakPolarHBondContact O-CB 3.3Å; V242-I246 VanDerWaalsContact O-CG1 3.26Å; V242-I246 WeakPolarHBondContact O-CG1 3.23Å; V242-I246 PolarHBondContact O-N 2.74Å
243E94.8Very high92.5Very high99 Ų9974.1 Ų74.146%0.46336%0.358SS..Hα-helixtrans-64.7-41.8176.3-74.2178.8143.700112.1K239 E240 F241 V245 I246 E247K239-E243 WeakPolarHBondContact CE-OE1 3.37Å; K239-E243 HydrophobicContact CG-CG 4.41Å; K239-E243 IonicContact NZ-OE1 2.71Å; K239-E243 PolarHBondContact NZ-OE1 3.31Å; K239-E243 IonicContact NZ-OE2 2.86Å; K239-E243 PolarHBondContact NZ-OE2 3.16Å; K239-E243 WeakPolarHBondContact O-CB 3.29Å; K239-E243 WeakPolarHBondContact O-CG 3.14Å; K239-E243 PolarHBondContact O-N 3.38Å; E240-E243 PolarHBondContact O-N 2.97Å; F241-E243 VanDerWaalsContact C-N 3.32Å; F241-E243 PolarHBondContact O-N 3.18Å; E243-V245 PolarHBondContact O-N 3.44Å; E243-I246 PolarHBondContact O-N 3.25Å; E243-E247 PolarHBondContact O-N 3.48Å
244A94.3Very high92.7Very high19 Ų1979.3 Ų79.316%0.15739%0.392CS..Hα-helixtrans-63.6-36.8174.300000113.1E240 F241 L248E240-A244 WeakPolarHBondContact O-CB 3.33Å; E240-A244 PolarHBondContact O-N 3.24Å; F241-A244 PolarHBondContact O-N 2.69Å; A244-L248 WeakPolarHBondContact O-CB 3.24Å; A244-L248 PolarHBondContact O-N 2.91Å
245V94.4Very high92.9Very high5 Ų576.1 Ų76.13%0.0338%0.377CS..Hα-helixtrans-71.1-37.2174.91740000111.5I223 L225 F241 V242 E243 L248 R249I223-V245 HydrophobicContact CG2-CG1 3.97Å; L225-V245 HydrophobicContact CD1-CG1 4.37Å; L225-V245 HydrophobicContact CD1-CG2 4.46Å; L225-V245 HydrophobicContact CG-CG1 4.43Å; F241-V245 HydrophobicContact CD2-CG2 4.31Å; F241-V245 HydrophobicContact CE1-CG2 4.24Å; F241-V245 HydrophobicContact CE2-CG2 3.88Å; F241-V245 HydrophobicContact CZ-CG2 3.85Å; F241-V245 WeakPolarHBondContact O-CG2 3.45Å; F241-V245 PolarHBondContact O-N 3Å; V242-V245 PolarHBondContact O-N 3.02Å; E243-V245 PolarHBondContact O-N 3.44Å; V245-L248 PolarHBondContact O-N 2.64Å; V245-R249 WeakPolarHBondContact O-CB 3.45Å; V245-R249 PolarHBondContact O-N 3.28Å
246I93.7Very high93.2Very high77 Ų7773.7 Ų73.740%0.39537%0.373SS..Hα-helixtrans-66.3-40.2174.2-71.6167.6000111.2V242 E243 K250V242-I246 HydrophobicContact CG1-CD1 3.79Å; V242-I246 HydrophobicContact CG1-CG1 4.46Å; V242-I246 WeakPolarHBondContact O-CB 3.3Å; V242-I246 VanDerWaalsContact O-CG1 3.26Å; V242-I246 WeakPolarHBondContact O-CG1 3.23Å; V242-I246 PolarHBondContact O-N 2.74Å; E243-I246 PolarHBondContact O-N 3.25Å; I246-K250 HydrophobicContact CG2-CD 4.33Å; I246-K250 WeakPolarHBondContact O-CG 3.39Å; I246-K250 PolarHBondContact O-N 2.93Å; I246-K250 VanDerWaalsContact O-N 3.09Å
247E94.1Very high93.6Very high132 Ų13274.8 Ų74.862%0.61738%0.381SS*.Hα-helixtrans-64.6-45173.8-166.7-172152.600111.3E243 R249 K250 K251E243-E247 PolarHBondContact O-N 3.48Å; E247-R249 VanDerWaalsContact C-N 3.34Å; E247-R249 PolarHBondContact O-N 3.27Å; E247-K250 WeakPolarHBondContact O-CB 3.31Å; E247-K250 PolarHBondContact O-N 3.31Å; E247-K250 VanDerWaalsContact O-N 3.13Å; E247-K251 WeakPolarHBondContact O-CB 3.27Å; E247-K251 PolarHBondContact O-N 3.5Å
248L94.1Very high93.9Very high19 Ų1974.5 Ų74.510%0.09938%0.378CS..Hα-helixtrans-58.1-45.2176.8-174.762.5000111.8A244 V245 K250 K251 N252 V261A244-L248 WeakPolarHBondContact O-CB 3.24Å; A244-L248 PolarHBondContact O-N 2.91Å; V245-L248 PolarHBondContact O-N 2.64Å; L248-K250 PolarHBondContact O-N 3.42Å; L248-K251 PolarHBondContact O-N 2.87Å; L248-N252 WeakPolarHBondContact CD1-OD1 3.3Å; L248-N252 WeakPolarHBondContact O-CB 3.24Å; L248-N252 PolarHBondContact O-N 3.33Å; L248-V261 HydrophobicContact CD1-CB 4.28Å; L248-V261 HydrophobicContact CD2-CB 4.13Å; L248-V261 HydrophobicContact CD2-CG2 3.79Å; L248-V261 HydrophobicContact CG-CB 4.44Å; L248-V261 HydrophobicContact CG-CG2 4.24Å
249R93.3Very high94.2Very high90 Ų9073.7 Ų73.734%0.3437%0.37SS..Hα-helixtrans-59.1-43.5174.8-171.7-164.7-68.9-130.4-5.8112D222 I223 V245 E247 K251 G253D222-R249 PolarHBondContact O-NE 3Å; D222-R249 PolarHBondContact O-NH1 2.99Å; D222-R249 PolarHBondContact O-NH2 3.38Å; D222-R249 IonicContact OD1-NH1 3.18Å; D222-R249 PolarHBondContact OD1-NH1 3.45Å; I223-R249 VanDerWaalsContact C-NH2 3.33Å; I223-R249 PolarHBondContact O-NH2 2.87Å; V245-R249 WeakPolarHBondContact O-CB 3.45Å; V245-R249 PolarHBondContact O-N 3.28Å; E247-R249 VanDerWaalsContact C-N 3.34Å; E247-R249 PolarHBondContact O-N 3.27Å; R249-K251 VanDerWaalsContact C-N 3.33Å; R249-K251 PolarHBondContact O-N 3.39Å; R249-G253 WeakPolarHBondContact O-CA 3.25Å; R249-G253 PolarHBondContact O-N 3.46Å
250K93.2Very high94.4Very high170 Ų17067.6 Ų67.674%0.73935%0.347SS*.Hα-helixtrans-65.2-35176.8-72.2168.7-179174.30112.8I246 E247 L248I246-K250 HydrophobicContact CG2-CD 4.33Å; I246-K250 WeakPolarHBondContact O-CG 3.39Å; I246-K250 PolarHBondContact O-N 2.93Å; I246-K250 VanDerWaalsContact O-N 3.09Å; E247-K250 WeakPolarHBondContact O-CB 3.31Å; E247-K250 PolarHBondContact O-N 3.31Å; E247-K250 VanDerWaalsContact O-N 3.13Å; L248-K250 PolarHBondContact O-N 3.42Å
251K94.3Very high94.6Very high167 Ų16762.6 Ų62.673%0.72632%0.324SS*.Hα-helixtrans-79.5-40.7-176.6-178.8177179.3175.50113.4E247 L248 R249E247-K251 WeakPolarHBondContact O-CB 3.27Å; E247-K251 PolarHBondContact O-N 3.5Å; L248-K251 PolarHBondContact O-N 2.87Å; R249-K251 VanDerWaalsContact C-N 3.33Å; R249-K251 PolarHBondContact O-N 3.39Å
252N90.6Very high94.7Very high85 Ų8564 Ų6446%0.45533%0.333SS..Hα-helixtrans-98.1-18.9-174.7-81.777.8000113.8L248 V261L248-N252 WeakPolarHBondContact CD1-OD1 3.3Å; L248-N252 WeakPolarHBondContact O-CB 3.24Å; L248-N252 PolarHBondContact O-N 3.33Å; N252-V261 HydrophobicContact CB-CG1 4.3Å; N252-V261 WeakPolarHBondContact ND2-CG1 3.33Å
253G91.1Very high94.8Very high25 Ų2562.8 Ų62.826%0.25833%0.326SS..  trans70.2-160.1-172.500000112.3R249R249-G253 WeakPolarHBondContact O-CA 3.25Å; R249-G253 PolarHBondContact O-N 3.46Å
254P93.9Very high94.7Very high110 Ų11059.8 Ų59.871%0.71432%0.318SS*.SBendtrans-63135.6175.8-21.233.8000112.1A221A221-P254 CarbonylContact O-C 3.52Å; A221-P254 VanDerWaalsContact O-CA 3.29Å; A221-P254 WeakPolarHBondContact O-CA 3.24Å
255L95.2Very high94.5Very high17 Ų1759.3 Ų59.39%0.08932%0.315CS..PPolyproline II helixtrans-85.3118.3-178.7-172.659.7000111.4A221 I223 V261 N277A221-L255 WeakPolarHBondContact CA-O 3.33Å; A221-L255 WeakPolarHBondContact CB-O 3.38Å; A221-L255 PolarHBondContact O-N 2.86Å; I223-L255 HydrophobicContact CG1-CB 4.24Å; I223-L255 HydrophobicContact CG1-CD2 4.31Å; L255-V261 HydrophobicContact CD1-CG1 3.83Å; L255-V261 HydrophobicContact CD1-CG2 4.21Å; L255-V261 HydrophobicContact CD2-CG2 4.06Å; L255-N277 HydrophobicContact CB-CB 4.33Å; L255-N277 HydrophobicContact CD2-CB 3.89Å; L255-N277 HydrophobicContact CG-CB 3.89Å; L255-N277 PolarHBondContact O-ND2 2.86Å
256D96.3Very high94.3Very high134 Ų13462.8 Ų62.872%0.71733%0.331SS*.PPolyproline II helixtrans-55.5156175.5-74.4-45.3000113.3A258 G259 N277D256-A258 PolarHBondContact O-N 2.84Å; D256-G259 WeakPolarHBondContact O-CA 3.46Å; D256-G259 PolarHBondContact O-N 2.84Å; D256-N277 WeakPolarHBondContact O-CB 3.36Å; D256-N277 PolarHBondContact O-ND2 3.5Å
257I96.3Very high93.9Very high91 Ų9162 Ų6247%0.46734%0.341SS..THydrogen-bonded Turntrans-62.7133.7174.1-58.2175.7000109.9G259 P279 L289I257-G259 PolarHBondContact O-N 2.84Å; I257-P279 HydrophobicContact CG2-CB 3.88Å; I257-L289 HydrophobicContact CG2-CD1 4.06Å
258A96.5Very high93.6Very high0 Ų056.7 Ų56.70%032%0.317CS..THydrogen-bonded Turntrans63.45.8-167.300000115.5D256 N277 L289 K292 T293 N296D256-A258 PolarHBondContact O-N 2.84Å; A258-N277 WeakPolarHBondContact CA-O 3.06Å; A258-N277 PolarHBondContact N-O 2.71Å; A258-L289 HydrophobicContact CB-CB 4.33Å; A258-L289 HydrophobicContact CB-CD2 4.11Å; A258-L289 VanDerWaalsContact CB-O 3.25Å; A258-L289 WeakPolarHBondContact CB-O 3.31Å; A258-K292 HydrophobicContact CB-CB 4.02Å; A258-K292 HydrophobicContact CB-CD 3.99Å; A258-K292 HydrophobicContact CB-CG 4.04Å; A258-T293 WeakPolarHBondContact CA-OG1 3.48Å; A258-T293 WeakPolarHBondContact CB-OG1 3.47Å; A258-N296 PolarHBondContact O-ND2 2.79Å
259G96.7Very high93.1Very high13 Ų1358.9 Ų58.913%0.13433%0.332CS..  trans-67150.9168.100000112D256 I257 C276 N277D256-G259 WeakPolarHBondContact O-CA 3.46Å; D256-G259 PolarHBondContact O-N 2.84Å; I257-G259 PolarHBondContact O-N 2.84Å; G259-C276 WeakPolarHBondContact O-CA 3.44Å; G259-N277 PolarHBondContact O-N 2.86Å
260A97.6Very high92.9Very high18 Ų1854.8 Ų54.815%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-137.6149.8171.200000110I274 H275 C276 N296 L300A260-I274 HydrophobicContact CB-CG2 4.35Å; A260-H275 CarbonylContact C-O 3.52Å; A260-H275 VanDerWaalsContact CA-O 3.22Å; A260-H275 WeakPolarHBondContact CA-O 3.33Å; A260-C276 HydrophobicContact CB-CB 3.92Å; A260-N296 HydrophobicContact CB-CB 4.16Å; A260-L300 VanDerWaalsContact C-CD1 3.48Å; A260-L300 HydrophobicContact CB-CD1 3.6Å
261V97.6Very high92.9Very high12 Ų1252.4 Ų52.47%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-146.5160.5177.9-72.40000110.1I223 L248 N252 L255 I274 H275I223-V261 HydrophobicContact CD1-CG2 3.72Å; L248-V261 HydrophobicContact CD1-CB 4.28Å; L248-V261 HydrophobicContact CD2-CB 4.13Å; L248-V261 HydrophobicContact CD2-CG2 3.79Å; L248-V261 HydrophobicContact CG-CB 4.44Å; L248-V261 HydrophobicContact CG-CG2 4.24Å; N252-V261 HydrophobicContact CB-CG1 4.3Å; N252-V261 WeakPolarHBondContact ND2-CG1 3.33Å; L255-V261 HydrophobicContact CD1-CG1 3.83Å; L255-V261 HydrophobicContact CD1-CG2 4.21Å; L255-V261 HydrophobicContact CD2-CG2 4.06Å; V261-I274 CarbonylContact O-C 3.51Å; V261-I274 WeakPolarHBondContact O-CA 3.49Å; V261-H275 HydrophobicContact CG2-CB 4.18Å; V261-H275 PolarHBondContact N-O 3.16Å; V261-H275 PolarHBondContact O-N 3.07Å
262V96.9Very high93Very high30 Ų3047 Ų4718%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-125.5127.8-171.162.50000112.9F272 V273 I274V262-F272 HydrophobicContact CG2-CB 3.75Å; V262-F272 HydrophobicContact CG2-CD1 3.82Å; V262-F272 HydrophobicContact CG2-CG 4.03Å; V262-V273 WeakPolarHBondContact CA-O 3.44Å; V262-I274 HydrophobicContact CB-CG1 4.2Å; V262-I274 HydrophobicContact CG2-CG1 3.89Å
263S95.3Very high93.2Very high6 Ų642.9 Ų42.94%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-105.8161.1168.6690000110.8F272 V273 H275S263-F272 WeakPolarHBondContact O-CA 3.24Å; S263-F272 WeakPolarHBondContact O-CD1 3.38Å; S263-V273 PolarHBondContact N-O 2.85Å; S263-V273 PolarHBondContact O-N 2.77Å; S263-H275 PolarHBondContact OG-NE2 3.42Å
264A94.1Very high93.5Very high35 Ų3541.7 Ų41.729%0.28925%0.249SC..EExtended strand (participates in β ladder)trans-74.8138.9169.200000110.4H266A264-H266 PolarHBondContact O-N 3.07Å
265G89.9Confident93.6Very high9 Ų936.5 Ų36.59%0.09322%0.215CC..  trans-81.354.4-177.700000113.6G267 L268 A270 K271G265-G267 PolarHBondContact O-N 3.3Å; G265-L268 WeakPolarHBondContact O-CB 3.16Å; G265-L268 PolarHBondContact O-N 2.99Å; G265-A270 WeakPolarHBondContact CA-O 3.45Å; G265-K271 PolarHBondContact N-O 2.85Å
266H89.1Confident93.6Very high79 Ų7935.7 Ų35.737%0.36621%0.211SC..THydrogen-bonded Turntrans-54.3135.5177.9-72.1-93.9000111.6G237 E240 F241 A264 L268G237-H266 WeakPolarHBondContact CA-O 3.43Å; E240-H266 HydrophobicContact CB-CB 3.55Å; E240-H266 IonicContact OE2-CG 3.24Å; E240-H266 IonicContact OE2-ND1 3.49Å; E240-H266 PolarHBondContact OE2-ND1 2.72Å; F241-H266 HydrophobicContact CB-CB 4.38Å; A264-H266 PolarHBondContact O-N 3.07Å; H266-L268 PolarHBondContact O-N 3.39Å
267G85.5Confident93.6Very high59 Ų5930 Ų3061%0.60818%0.181SC*.THydrogen-bonded Turntrans62.23.4-175.700000116.2G265G265-G267 PolarHBondContact O-N 3.3Å
268L87.4Confident93.5Very high21 Ų2125.8 Ų25.811%0.1116%0.16CC..SBendtrans-104156.5179.2-60.7173.7000111.2L233 K236 F241 G265 H266 A270 V273L233-L268 HydrophobicContact CD2-CD1 4.06Å; L233-L268 HydrophobicContact CD2-CD2 4.16Å; K236-L268 HydrophobicContact CB-CD2 3.55Å; K236-L268 HydrophobicContact CD-CD2 4.32Å; F241-L268 HydrophobicContact CD2-CD1 4.08Å; F241-L268 HydrophobicContact CE2-CD1 4.04Å; F241-L268 HydrophobicContact CZ-CD1 4.42Å; G265-L268 WeakPolarHBondContact O-CB 3.16Å; G265-L268 PolarHBondContact O-N 2.99Å; H266-L268 PolarHBondContact O-N 3.39Å; L268-A270 PolarHBondContact O-N 3.45Å; L268-V273 HydrophobicContact CD1-CG2 3.48Å; L268-V273 VanDerWaalsContact CD1-CG2 3.48Å
269P84.1Confident93.5Very high66 Ų6625.9 Ų25.943%0.42916%0.16SC..SBendtrans-64.5-22171.1-22.734.7000113.8
270A89.6Confident93.4Very high3 Ų326.8 Ų26.83%0.02517%0.17CC..SBendtrans-93.1143.9-17900000112V212 I215 G265 L268 F272V212-A270 HydrophobicContact CG1-CB 4.19Å; V212-A270 WeakPolarHBondContact O-CA 3.18Å; V212-A270 VanDerWaalsContact O-CB 3.25Å; V212-A270 WeakPolarHBondContact O-CB 3.35Å; I215-A270 HydrophobicContact CD1-CB 3.55Å; I215-A270 HydrophobicContact CG1-CB 3.63Å; G265-A270 WeakPolarHBondContact CA-O 3.45Å; L268-A270 PolarHBondContact O-N 3.45Å; A270-F272 VanDerWaalsContact C-N 3.3Å; A270-F272 PolarHBondContact O-N 3.42Å
271K93Very high93.3Very high121 Ų12131.3 Ų31.353%0.52618%0.183SC..SBendtrans-67.6-32.6-178.2-58.3176-178.5176.90112E213 G265E213-K271 HydrophobicContact CB-CD 4.25Å; E213-K271 HydrophobicContact CG-CD 4.04Å; E213-K271 WeakPolarHBondContact O-CB 3.4Å; E213-K271 PolarHBondContact O-N 3.12Å; E213-K271 IonicContact OE1-NZ 2.75Å; E213-K271 PolarHBondContact OE1-NZ 3.05Å; G265-K271 PolarHBondContact N-O 2.85Å
272F95.5Very high93Very high52 Ų5233.9 Ų33.923%0.22821%0.212CC..EExtended strand (participates in β ladder)trans-138.4155-176.8-63-76.2000112.4E213 A214 I215 V262 S263 A270 K304 L306E213-F272 PolarHBondContact O-N 3.39Å; A214-F272 WeakPolarHBondContact CA-O 3.35Å; A214-F272 HydrophobicContact CB-CB 4.4Å; I215-F272 PolarHBondContact N-O 3Å; I215-F272 VanDerWaalsContact N-O 3.12Å; V262-F272 HydrophobicContact CG2-CB 3.75Å; V262-F272 HydrophobicContact CG2-CD1 3.82Å; V262-F272 HydrophobicContact CG2-CG 4.03Å; S263-F272 WeakPolarHBondContact O-CA 3.24Å; S263-F272 WeakPolarHBondContact O-CD1 3.38Å; A270-F272 VanDerWaalsContact C-N 3.3Å; A270-F272 PolarHBondContact O-N 3.42Å; F272-K304 HydrophobicContact CE1-CD 4.39Å; F272-K304 HydrophobicContact CE2-CB 4.39Å; F272-K304 HydrophobicContact CZ-CD 4.24Å; F272-L306 HydrophobicContact CB-CD1 4.47Å; F272-L306 HydrophobicContact CD2-CD1 3.79Å; F272-L306 HydrophobicContact CD2-CD2 3.81Å; F272-L306 HydrophobicContact CD2-CG 4.43Å; F272-L306 HydrophobicContact CE2-CD2 3.87Å; F272-L306 HydrophobicContact CG-CD1 4.49Å
273V95.3Very high92.8Very high0 Ų034.8 Ų34.80%022%0.22CC..EExtended strand (participates in β ladder)trans-118.3124.9163.8-179.40000108.4I215 N217 L233 F241 V262 S263 L268 H275I215-V273 CarbonylContact O-C 3.58Å; I215-V273 WeakPolarHBondContact O-CA 3.35Å; N217-V273 HydrophobicContact CB-CG1 3.66Å; L233-V273 HydrophobicContact CD1-CG1 4.27Å; F241-V273 HydrophobicContact CE2-CB 3.97Å; F241-V273 HydrophobicContact CE2-CG1 4.43Å; F241-V273 HydrophobicContact CE2-CG2 3.63Å; F241-V273 HydrophobicContact CZ-CB 4.39Å; F241-V273 HydrophobicContact CZ-CG1 4.35Å; F241-V273 HydrophobicContact CZ-CG2 4.11Å; V262-V273 WeakPolarHBondContact CA-O 3.44Å; S263-V273 PolarHBondContact N-O 2.85Å; S263-V273 PolarHBondContact O-N 2.77Å; L268-V273 HydrophobicContact CD1-CG2 3.48Å; L268-V273 VanDerWaalsContact CD1-CG2 3.48Å; V273-H275 PolarHBondContact O-CD2 3.16Å
274I97.3Very high92.7Very high0 Ų041.7 Ų41.70%026%0.256CS..EExtended strand (participates in β ladder)trans-100.5104.7178.4-64.4172.6000107A214 I215 I216 N217 A260 V261 V262 C297 L300 A301 I309A214-I274 HydrophobicContact CB-CD1 3.87Å; A214-I274 HydrophobicContact CB-CG1 4.29Å; I215-I274 PolarHBondContact O-N 2.9Å; I216-I274 CarbonylContact C-O 3.28Å; I216-I274 WeakPolarHBondContact CA-O 3.5Å; I216-I274 HydrophobicContact CD1-CB 3.85Å; I216-I274 HydrophobicContact CD1-CD1 4.45Å; I216-I274 HydrophobicContact CD1-CG2 3.96Å; N217-I274 PolarHBondContact N-O 3.24Å; A260-I274 HydrophobicContact CB-CG2 4.35Å; V261-I274 CarbonylContact O-C 3.51Å; V261-I274 WeakPolarHBondContact O-CA 3.49Å; V262-I274 HydrophobicContact CB-CG1 4.2Å; V262-I274 HydrophobicContact CG2-CG1 3.89Å; I274-C297 HydrophobicContact CG2-CB 4.16Å; I274-L300 HydrophobicContact CD1-CB 4.22Å; I274-L300 HydrophobicContact CG2-CD1 4.04Å; I274-A301 HydrophobicContact CD1-CB 3.95Å; I274-I309 HydrophobicContact CD1-CD1 4.22Å
275H96.2Very high92.8Very high0 Ų046.2 Ų46.20%027%0.269CS..EExtended strand (participates in β ladder)trans-84.4135.1178.8-54.7-104.1000109N217 T219 I223 A260 V261 S263 V273N217-H275 PolarHBondContact ND2-ND1 3.32Å; N217-H275 VanDerWaalsContact ND2-ND1 3.17Å; N217-H275 WeakPolarHBondContact O-CA 3.34Å; T219-H275 HydrophobicContact CG2-CB 4.05Å; I223-H275 HydrophobicContact CG2-CB 3.96Å; A260-H275 CarbonylContact C-O 3.52Å; A260-H275 VanDerWaalsContact CA-O 3.22Å; A260-H275 WeakPolarHBondContact CA-O 3.33Å; V261-H275 HydrophobicContact CG2-CB 4.18Å; V261-H275 PolarHBondContact N-O 3.16Å; V261-H275 PolarHBondContact O-N 3.07Å; S263-H275 PolarHBondContact OG-NE2 3.42Å; V273-H275 PolarHBondContact O-CD2 3.16Å
276C96.4Very high93Very high0 Ų046.4 Ų46.40%027%0.269CS..EExtended strand (participates in β ladder)trans-139.2138.2179.464.80000113.2N217 P218 T219 G259 A260 S278 T293 C297N217-C276 PolarHBondContact O-N 2.96Å; P218-C276 WeakPolarHBondContact CA-O 3.44Å; T219-C276 PolarHBondContact N-O 2.66Å; G259-C276 WeakPolarHBondContact O-CA 3.44Å; A260-C276 HydrophobicContact CB-CB 3.92Å; C276-S278 PolarHBondContact O-N 2.9Å; C276-T293 HydrophobicContact CB-CG2 3.66Å; C276-C297 VanDerWaalsContact CB-SG 3.52Å
277N96Very high93.3Very high15 Ų1546.8 Ų46.88%0.0827%0.271CS..EExtended strand (participates in β ladder)trans-89.196.1176.4-175.813.4000108.8T219 A221 L255 D256 A258 G259T219-N277 WeakPolarHBondContact O-CA 3.43Å; A221-N277 PolarHBondContact N-ND2 2.85Å; L255-N277 HydrophobicContact CB-CB 4.33Å; L255-N277 HydrophobicContact CD2-CB 3.89Å; L255-N277 HydrophobicContact CG-CB 3.89Å; L255-N277 PolarHBondContact O-ND2 2.86Å; D256-N277 WeakPolarHBondContact O-CB 3.36Å; D256-N277 PolarHBondContact O-ND2 3.5Å; A258-N277 WeakPolarHBondContact CA-O 3.06Å; A258-N277 PolarHBondContact N-O 2.71Å; G259-N277 PolarHBondContact O-N 2.86Å
278S94.2Very high93.9Very high3 Ų349.4 Ų49.42%0.02127%0.267CS..PPolyproline II helixtrans-67.5143.2176.5-179.60000110.2C276 N319C276-S278 PolarHBondContact O-N 2.9Å; S278-N319 PolarHBondContact O-ND2 2.98Å
279P95.8Very high94.4Very high1 Ų150.3 Ų50.31%0.00627%0.272CS..PPolyproline II helixtrans-60.4161.3166.929-37.4000111.5I257 C286 L289 L290 T293 N319 F321I257-P279 HydrophobicContact CG2-CB 3.88Å; P279-C286 HydrophobicContact CB-CB 4.24Å; P279-C286 VanDerWaalsContact CG-O 3.3Å; P279-C286 WeakPolarHBondContact CG-O 3.18Å; P279-L289 HydrophobicContact CB-CB 3.85Å; P279-L289 HydrophobicContact CB-CD1 4.32Å; P279-L289 HydrophobicContact CG-CB 3.74Å; P279-L290 HydrophobicContact CG-CB 4.01Å; P279-T293 WeakPolarHBondContact CD-OG1 3.44Å; P279-N319 WeakPolarHBondContact O-CB 3.46Å; P279-N319 PolarHBondContact O-ND2 3.26Å; P279-F321 HydrophobicContact CG-CE2 4.2Å; P279-F321 HydrophobicContact CG-CZ 4.01Å; P279-F321 WeakPolarHBondContact O-CE2 3.08Å
280G94.6Very high95Very high33 Ų3347.1 Ų47.134%0.3425%0.251SS..PPolyproline II helixtrans-87145.5168.300000111.3S283 C286G280-S283 PolarHBondContact O-N 2.82Å; G280-S283 PolarHBondContact O-OG 3.43Å; G280-C286 WeakPolarHBondContact O-CB 3.42Å
281W95Very high95.4Very high112 Ų11248.2 Ų48.242%0.42426%0.256SS..THydrogen-bonded Turntrans-63.6139.8174179.8-118.8000111.2S283 E287 N319 G320 F321 P322 T325W281-S283 VanDerWaalsContact C-N 3.26Å; W281-S283 PolarHBondContact O-N 3.16Å; W281-E287 HydrophobicContact CZ3-CG 4.08Å; W281-N319 WeakPolarHBondContact CB-O 3.36Å; W281-N319 PolarHBondContact N-O 3.01Å; W281-G320 VanDerWaalsContact CB-C 3.48Å; W281-G320 WeakPolarHBondContact CB-O 3.3Å; W281-F321 HydrophobicContact CB-CD2 3.83Å; W281-F321 HydrophobicContact CB-CE2 4.21Å; W281-F321 HydrophobicContact CB-CG 4.19Å; W281-F321 HydrophobicContact CD2-CD1 4.43Å; W281-F321 HydrophobicContact CD2-CG 4.47Å; W281-F321 AromaticContact CE3-CD1 3.49Å; W281-F321 HydrophobicContact CE3-CD1 3.49Å; W281-F321 VanDerWaalsContact CE3-CD1 3.49Å; W281-F321 HydrophobicContact CE3-CD2 4.39Å; W281-F321 AromaticContact CE3-CE1 3.62Å; W281-F321 HydrophobicContact CE3-CE1 3.62Å; W281-F321 HydrophobicContact CE3-CE2 4.48Å; W281-F321 AromaticContact CE3-CG 3.92Å; W281-F321 HydrophobicContact CE3-CG 3.92Å; W281-F321 HydrophobicContact CE3-CZ 4.13Å; W281-F321 AromaticContact CZ3-CD1 3.96Å; W281-F321 HydrophobicContact CZ3-CD1 3.96Å; W281-F321 HydrophobicContact CZ3-CE1 4.01Å; W281-P322 HydrophobicContact CZ2-CG 4Å; W281-T325 HydrophobicContact CH2-CG2 4.25Å; W281-T325 HydrophobicContact CZ3-CG2 4.06Å
282G92.1Very high95.6Very high66 Ų6647.5 Ų47.568%0.6825%0.253SS*.THydrogen-bonded Turntrans77.60.2-176.900000115.3
283S92.6Very high95.7Very high49 Ų4945 Ų4534%0.34324%0.242SC..SBendtrans-76158.1167.182.70000111.2G280 W281 K285 C286G280-S283 PolarHBondContact O-N 2.82Å; G280-S283 PolarHBondContact O-OG 3.43Å; W281-S283 VanDerWaalsContact C-N 3.26Å; W281-S283 PolarHBondContact O-N 3.16Å; S283-K285 PolarHBondContact O-N 3.26Å; S283-C286 VanDerWaalsContact O-CB 3.26Å; S283-C286 WeakPolarHBondContact O-CB 3.26Å; S283-C286 PolarHBondContact O-N 3.23Å; S283-C286 VanDerWaalsContact O-N 3.07Å; S283-C286 PolarHBondContact O-SG 3.31Å
284D93.1Very high95.9Very high151 Ų15145 Ų4581%0.80724%0.242SC*.THydrogen-bonded Turntrans-50.2128.3174.9-74-27000111C286D284-C286 PolarHBondContact O-N 3.17Å
285K95.4Very high95.9Very high131 Ų13147.6 Ų47.657%0.5725%0.253SS*.THydrogen-bonded Turntrans53.226.5178.2-64.9168.7159.2-79.30114.4S283 E287 E288 L289S283-K285 PolarHBondContact O-N 3.26Å; K285-E287 PolarHBondContact O-N 3.37Å; K285-E287 VanDerWaalsContact O-N 3.08Å; K285-E288 HydrophobicContact CB-CB 4.29Å; K285-E288 HydrophobicContact CB-CG 4.4Å; K285-E288 IonicContact NZ-OE1 2.8Å; K285-E288 PolarHBondContact NZ-OE1 2.78Å; K285-E288 IonicContact NZ-OE2 2.65Å; K285-E288 PolarHBondContact NZ-OE2 3.44Å; K285-E288 PolarHBondContact O-N 3.04Å; K285-L289 WeakPolarHBondContact O-CG 3.16Å; K285-L289 PolarHBondContact O-N 2.77Å
286C94.4Very high96Very high12 Ų1250.2 Ų50.28%0.08127%0.267CS..Hα-helixtrans-52.6-34.5-177.856.20000113.6P279 G280 S283 D284 L290 F321P279-C286 HydrophobicContact CB-CB 4.24Å; P279-C286 VanDerWaalsContact CG-O 3.3Å; P279-C286 WeakPolarHBondContact CG-O 3.18Å; G280-C286 WeakPolarHBondContact O-CB 3.42Å; S283-C286 VanDerWaalsContact O-CB 3.26Å; S283-C286 WeakPolarHBondContact O-CB 3.26Å; S283-C286 PolarHBondContact O-N 3.23Å; S283-C286 VanDerWaalsContact O-N 3.07Å; S283-C286 PolarHBondContact O-SG 3.31Å; D284-C286 PolarHBondContact O-N 3.17Å; C286-L290 WeakPolarHBondContact O-CB 3.44Å; C286-L290 PolarHBondContact O-N 3.07Å; C286-F321 HydrophobicContact CB-CE2 4.48Å; C286-F321 HydrophobicContact CB-CZ 3.8Å; C286-F321 WeakPolarHBondContact O-CZ 3.45Å
287E96Very high96.1Very high87 Ų8750.2 Ų50.241%0.40727%0.267SS..Hα-helixtrans-68.2-48.2175.3-58.3-165.1174.700113.4W281 K285 L289 L290 E291 L329W281-E287 HydrophobicContact CZ3-CG 4.08Å; K285-E287 PolarHBondContact O-N 3.37Å; K285-E287 VanDerWaalsContact O-N 3.08Å; E287-L289 PolarHBondContact O-N 3.2Å; E287-L290 PolarHBondContact O-N 3.16Å; E287-E291 PolarHBondContact O-N 3.24Å; E287-E291 VanDerWaalsContact O-N 3.1Å; E287-L329 HydrophobicContact CB-CD1 3.65Å; E287-L329 HydrophobicContact CB-CD2 4.11Å; E287-L329 HydrophobicContact CG-CD1 3.75Å
288E97.3Very high96.2Very high114 Ų11449.5 Ų49.553%0.53326%0.263SS..Hα-helixtrans-58.7-40.4174.5-61.4175.7-154.900110.8K285 K292K285-E288 HydrophobicContact CB-CB 4.29Å; K285-E288 HydrophobicContact CB-CG 4.4Å; K285-E288 IonicContact NZ-OE1 2.8Å; K285-E288 PolarHBondContact NZ-OE1 2.78Å; K285-E288 IonicContact NZ-OE2 2.65Å; K285-E288 PolarHBondContact NZ-OE2 3.44Å; K285-E288 PolarHBondContact O-N 3.04Å; E288-K292 WeakPolarHBondContact O-CB 3.25Å; E288-K292 PolarHBondContact O-N 2.81Å
289L97.8Very high96.3Very high40 Ų4050.9 Ų50.921%0.20928%0.275CS..Hα-helixtrans-68.1-37.7178.7-70.5170.5000111.7I257 A258 P279 K285 E287 K292 T293I257-L289 HydrophobicContact CG2-CD1 4.06Å; A258-L289 HydrophobicContact CB-CB 4.33Å; A258-L289 HydrophobicContact CB-CD2 4.11Å; A258-L289 VanDerWaalsContact CB-O 3.25Å; A258-L289 WeakPolarHBondContact CB-O 3.31Å; P279-L289 HydrophobicContact CB-CB 3.85Å; P279-L289 HydrophobicContact CB-CD1 4.32Å; P279-L289 HydrophobicContact CG-CB 3.74Å; K285-L289 WeakPolarHBondContact O-CG 3.16Å; K285-L289 PolarHBondContact O-N 2.77Å; E287-L289 PolarHBondContact O-N 3.2Å; L289-K292 CarbonylContact O-C 3.6Å; L289-K292 WeakPolarHBondContact O-CB 3.35Å; L289-K292 PolarHBondContact O-N 3.14Å; L289-T293 PolarHBondContact O-N 2.98Å; L289-T293 PolarHBondContact O-OG1 3.35Å
290L97.4Very high96.4Very high0 Ų052.1 Ų52.10%028%0.281CS..Hα-helixtrans-67.7-40.7176.8-178.859.9000111.3P279 C286 E287 K292 T293 V294 I314 F321 A326 L329P279-L290 HydrophobicContact CG-CB 4.01Å; C286-L290 WeakPolarHBondContact O-CB 3.44Å; C286-L290 PolarHBondContact O-N 3.07Å; E287-L290 PolarHBondContact O-N 3.16Å; L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 PolarHBondContact O-N 3.48Å; L290-T293 WeakPolarHBondContact O-CB 3.32Å; L290-T293 PolarHBondContact O-N 2.85Å; L290-V294 WeakPolarHBondContact O-CG2 3.31Å; L290-V294 PolarHBondContact O-N 3.46Å; L290-V294 VanDerWaalsContact O-N 3.14Å; L290-I314 HydrophobicContact CD1-CB 4.44Å; L290-I314 HydrophobicContact CD1-CG2 3.85Å; L290-F321 HydrophobicContact CB-CE1 4.19Å; L290-F321 HydrophobicContact CB-CZ 4.08Å; L290-F321 HydrophobicContact CD2-CD1 3.78Å; L290-F321 HydrophobicContact CD2-CE1 3.61Å; L290-F321 HydrophobicContact CD2-CG 4.33Å; L290-F321 HydrophobicContact CD2-CZ 4.03Å; L290-A326 HydrophobicContact CD2-CB 4.44Å; L290-L329 HydrophobicContact CD2-CB 4.27Å; L290-L329 HydrophobicContact CD2-CD1 4.12Å
291E97.4Very high96.5Very high25 Ų2550.5 Ų50.512%0.11727%0.265CS..Hα-helixtrans-59.2-41170.5-73.4-161.4-139.700112E287 V294 K295 L329 K332 A333E287-E291 PolarHBondContact O-N 3.24Å; E287-E291 VanDerWaalsContact O-N 3.1Å; E291-V294 PolarHBondContact O-N 3.03Å; E291-K295 WeakPolarHBondContact O-CG 3.4Å; E291-K295 PolarHBondContact O-N 2.84Å; E291-K295 IonicContact OE2-NZ 2.64Å; E291-K295 PolarHBondContact OE2-NZ 3.08Å; E291-L329 HydrophobicContact CG-CB 4.38Å; E291-L329 HydrophobicContact CG-CD2 4.14Å; E291-K332 WeakPolarHBondContact OE1-CD 3.5Å; E291-K332 WeakPolarHBondContact OE1-CE 3.34Å; E291-K332 IonicContact OE1-NZ 2.78Å; E291-K332 PolarHBondContact OE1-NZ 3.32Å; E291-A333 HydrophobicContact CB-CB 4.01Å; E291-A333 HydrophobicContact CG-CB 4.04Å
292K97.8Very high96.6Very high107 Ų10746.3 Ų46.347%0.46525%0.251SS..Hα-helixtrans-65.2-41.5176.7-174.4-175.8175-165.80111.7A258 E288 L289 L290 V294 K295 N296A258-K292 HydrophobicContact CB-CB 4.02Å; A258-K292 HydrophobicContact CB-CD 3.99Å; A258-K292 HydrophobicContact CB-CG 4.04Å; E288-K292 WeakPolarHBondContact O-CB 3.25Å; E288-K292 PolarHBondContact O-N 2.81Å; L289-K292 CarbonylContact O-C 3.6Å; L289-K292 WeakPolarHBondContact O-CB 3.35Å; L289-K292 PolarHBondContact O-N 3.14Å; L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 PolarHBondContact O-N 3.48Å; K292-V294 VanDerWaalsContact C-N 3.31Å; K292-V294 PolarHBondContact O-N 3.16Å; K292-K295 PolarHBondContact O-N 3.25Å; K292-N296 WeakPolarHBondContact O-CB 3.43Å; K292-N296 VanDerWaalsContact O-CG 3.27Å; K292-N296 PolarHBondContact O-N 3.35Å
293T98.1Very high96.8Very high0 Ų049.8 Ų49.80%025%0.25CC..Hα-helixtrans-55.1-48.9174.6-50.30000110.4A258 C276 P279 L289 L290 N296 C297A258-T293 WeakPolarHBondContact CA-OG1 3.48Å; A258-T293 WeakPolarHBondContact CB-OG1 3.47Å; C276-T293 HydrophobicContact CB-CG2 3.66Å; P279-T293 WeakPolarHBondContact CD-OG1 3.44Å; L289-T293 PolarHBondContact O-N 2.98Å; L289-T293 PolarHBondContact O-OG1 3.35Å; L290-T293 WeakPolarHBondContact O-CB 3.32Å; L290-T293 PolarHBondContact O-N 2.85Å; T293-N296 PolarHBondContact O-N 3.44Å; T293-C297 PolarHBondContact O-N 3.05Å; T293-C297 PolarHBondContact O-SG 2.95Å
294V98.1Very high97Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-64.4-44.3-179.3172.30000111.6L290 E291 K292 C297 L298 F311 I330 A333 I334L290-V294 WeakPolarHBondContact O-CG2 3.31Å; L290-V294 PolarHBondContact O-N 3.46Å; L290-V294 VanDerWaalsContact O-N 3.14Å; E291-V294 PolarHBondContact O-N 3.03Å; K292-V294 VanDerWaalsContact C-N 3.31Å; K292-V294 PolarHBondContact O-N 3.16Å; V294-C297 PolarHBondContact O-N 3.4Å; V294-L298 HydrophobicContact CG1-CD1 4.24Å; V294-L298 WeakPolarHBondContact O-CG 3.27Å; V294-L298 PolarHBondContact O-N 3.47Å; V294-L298 VanDerWaalsContact O-N 3.1Å; V294-F311 HydrophobicContact CB-CE1 4.49Å; V294-F311 HydrophobicContact CG1-CE1 3.95Å; V294-F311 HydrophobicContact CG1-CZ 4.29Å; V294-F311 HydrophobicContact CG2-CE1 4.3Å; V294-I330 HydrophobicContact CG2-CB 4.3Å; V294-I330 HydrophobicContact CG2-CG1 3.83Å; V294-I330 HydrophobicContact CG2-CG2 4.25Å; V294-A333 HydrophobicContact CB-CB 3.85Å; V294-A333 HydrophobicContact CG1-CB 3.69Å; V294-I334 HydrophobicContact CG1-CD1 4.29Å; V294-I334 HydrophobicContact CG1-CG1 3.67Å
295K97.9Very high97.2Very high53 Ų5352.7 Ų52.723%0.2325%0.249CC..Hα-helixtrans-64.3-39.8178-72.1168-171171.20112E291 K292 L298 A299 A333 S336 Y337E291-K295 WeakPolarHBondContact O-CG 3.4Å; E291-K295 PolarHBondContact O-N 2.84Å; E291-K295 IonicContact OE2-NZ 2.64Å; E291-K295 PolarHBondContact OE2-NZ 3.08Å; K292-K295 PolarHBondContact O-N 3.25Å; K295-L298 PolarHBondContact O-N 2.99Å; K295-A299 PolarHBondContact O-N 2.93Å; K295-A333 WeakPolarHBondContact CE-O 3.35Å; K295-A333 HydrophobicContact CG-CB 4.36Å; K295-S336 WeakPolarHBondContact CE-OG 3.47Å; K295-S336 PolarHBondContact NZ-OG 3.24Å; K295-S336 VanDerWaalsContact NZ-OG 3.15Å; K295-Y337 HydrophobicContact CB-CD2 4.37Å; K295-Y337 HydrophobicContact CG-CD2 4.39Å
296N98.3Very high97.2Very high55 Ų5546.8 Ų46.829%0.29422%0.223SC..Hα-helixtrans-64.9-39.4174.9-73.6-8.5000112.4A258 A260 K292 T293 A299 L300A258-N296 PolarHBondContact O-ND2 2.79Å; A260-N296 HydrophobicContact CB-CB 4.16Å; K292-N296 WeakPolarHBondContact O-CB 3.43Å; K292-N296 VanDerWaalsContact O-CG 3.27Å; K292-N296 PolarHBondContact O-N 3.35Å; T293-N296 PolarHBondContact O-N 3.44Å; N296-A299 PolarHBondContact O-N 3.25Å; N296-L300 PolarHBondContact O-N 2.92Å; N296-L300 VanDerWaalsContact O-N 3.12Å
297C98.1Very high97.3Very high0 Ų052.6 Ų52.60%025%0.247CC..Hα-helixtrans-63-40174.2-73.10000113.2I216 I274 C276 T293 V294 A301 F311I216-C297 HydrophobicContact CD1-CB 3.66Å; I274-C297 HydrophobicContact CG2-CB 4.16Å; C276-C297 VanDerWaalsContact CB-SG 3.52Å; T293-C297 PolarHBondContact O-N 3.05Å; T293-C297 PolarHBondContact O-SG 2.95Å; V294-C297 PolarHBondContact O-N 3.4Å; C297-A301 PolarHBondContact O-N 3.49Å; C297-F311 HydrophobicContact CB-CZ 4.41Å
298L98Very high97.2Very high0 Ų048.9 Ų48.90%023%0.231CC..Hα-helixtrans-68.5-40.9176.3-64.6166.7000111.4V294 K295 L300 A301 D302 I309 F311 I334 Y337 F338 I346V294-L298 HydrophobicContact CG1-CD1 4.24Å; V294-L298 WeakPolarHBondContact O-CG 3.27Å; V294-L298 PolarHBondContact O-N 3.47Å; V294-L298 VanDerWaalsContact O-N 3.1Å; K295-L298 PolarHBondContact O-N 2.99Å; L298-L300 PolarHBondContact O-N 3.26Å; L298-A301 PolarHBondContact O-N 3Å; L298-A301 VanDerWaalsContact O-N 3.17Å; L298-D302 PolarHBondContact O-N 3.21Å; L298-I309 HydrophobicContact CD2-CD1 4.47Å; L298-I309 HydrophobicContact CD2-CG2 4.43Å; L298-F311 HydrophobicContact CD2-CE2 4.02Å; L298-F311 HydrophobicContact CD2-CZ 3.96Å; L298-F311 HydrophobicContact CG-CZ 4.22Å; L298-I334 HydrophobicContact CD1-CB 4.47Å; L298-I334 HydrophobicContact CD1-CG1 3.97Å; L298-Y337 HydrophobicContact CB-CD1 3.77Å; L298-Y337 HydrophobicContact CB-CD2 3.99Å; L298-Y337 HydrophobicContact CB-CE1 3.66Å; L298-Y337 HydrophobicContact CB-CE2 3.87Å; L298-Y337 HydrophobicContact CB-CG 3.94Å; L298-Y337 HydrophobicContact CD1-CD1 3.7Å; L298-Y337 HydrophobicContact CD1-CD2 4.21Å; L298-Y337 HydrophobicContact CD1-CE1 4.45Å; L298-Y337 HydrophobicContact CD1-CG 3.56Å; L298-Y337 HydrophobicContact CG-CD1 4.29Å; L298-Y337 HydrophobicContact CG-CG 4.4Å; L298-F338 HydrophobicContact CD2-CZ 4.3Å; L298-I346 HydrophobicContact CB-CD1 4.29Å; L298-I346 HydrophobicContact CD2-CD1 3.79Å
299A97.8Very high97.1Very high32 Ų3243.5 Ų43.526%0.26421%0.206SC..Hα-helixtrans-57.8-4717600000112.3K295 N296 A301 D302 E303 Y337K295-A299 PolarHBondContact O-N 2.93Å; N296-A299 PolarHBondContact O-N 3.25Å; A299-A301 VanDerWaalsContact C-N 3.3Å; A299-A301 PolarHBondContact O-N 3.36Å; A299-D302 PolarHBondContact O-N 3.49Å; A299-D302 VanDerWaalsContact O-N 3.15Å; A299-E303 WeakPolarHBondContact O-CG 3.2Å; A299-E303 PolarHBondContact O-N 3.04Å; A299-Y337 WeakPolarHBondContact CA-OH 3.05Å; A299-Y337 HydrophobicContact CB-CE2 4.38Å
300L97.4Very high97Very high27 Ų2741.6 Ų41.614%0.14120%0.196CC..Hα-helixtrans-62.7-34.3176.4-72.7173.9000113.3A260 I274 N296 L298 K304A260-L300 VanDerWaalsContact C-CD1 3.48Å; A260-L300 HydrophobicContact CB-CD1 3.6Å; I274-L300 HydrophobicContact CD1-CB 4.22Å; I274-L300 HydrophobicContact CG2-CD1 4.04Å; N296-L300 PolarHBondContact O-N 2.92Å; N296-L300 VanDerWaalsContact O-N 3.12Å; L298-L300 PolarHBondContact O-N 3.26Å; L300-K304 VanDerWaalsContact O-CG 3.31Å; L300-K304 WeakPolarHBondContact O-CG 3.28Å; L300-K304 PolarHBondContact O-N 3.45Å; L300-K304 VanDerWaalsContact O-N 3.14Å
301A97.3Very high96.8Very high0 Ų041.6 Ų41.60%020%0.196CC..Hα-helixtrans-69.5-37.7174.300000111.9I274 C297 L298 A299 K304 K305 L306 I309 I346I274-A301 HydrophobicContact CD1-CB 3.95Å; C297-A301 PolarHBondContact O-N 3.49Å; L298-A301 PolarHBondContact O-N 3Å; L298-A301 VanDerWaalsContact O-N 3.17Å; A299-A301 VanDerWaalsContact C-N 3.3Å; A299-A301 PolarHBondContact O-N 3.36Å; A301-K304 CarbonylContact O-C 3.51Å; A301-K304 PolarHBondContact O-N 3.06Å; A301-K305 PolarHBondContact O-N 2.86Å; A301-L306 HydrophobicContact CB-CB 4.35Å; A301-L306 HydrophobicContact CB-CD1 4.3Å; A301-L306 WeakPolarHBondContact O-CG 3.49Å; A301-L306 PolarHBondContact O-N 3.23Å; A301-I309 HydrophobicContact CB-CD1 3.73Å; A301-I346 HydrophobicContact CB-CD1 3.94Å; A301-I346 HydrophobicContact CB-CG1 4.31Å
302D96.9Very high96.5Very high24 Ų2441.1 Ų41.113%0.12820%0.195CC..Hα-helixtrans-70.8-36.6174.1-88.3-32.3000113.3L298 A299 K304 K305 Y337 S345 I346L298-D302 PolarHBondContact O-N 3.21Å; A299-D302 PolarHBondContact O-N 3.49Å; A299-D302 VanDerWaalsContact O-N 3.15Å; D302-K304 VanDerWaalsContact C-N 3.26Å; D302-K304 PolarHBondContact O-N 3.09Å; D302-K305 WeakPolarHBondContact O-CA 3.21Å; D302-K305 PolarHBondContact O-N 2.85Å; D302-Y337 WeakPolarHBondContact OD2-CE1 3.43Å; D302-Y337 PolarHBondContact OD2-OH 3.27Å; D302-S345 WeakPolarHBondContact OD1-CA 3.26Å; D302-S345 WeakPolarHBondContact OD1-CB 3.21Å; D302-S345 PolarHBondContact OD1-N 3.01Å; D302-S345 PolarHBondContact OD1-OG 3.26Å; D302-I346 PolarHBondContact OD1-N 2.82Å
303E96.3Very high95.8Very high139 Ų13937.4 Ų37.465%0.6518%0.182SC*.Hα-helixtrans-58.5-39.5170.3-76177.3-159.500111.8A299 K305A299-E303 WeakPolarHBondContact O-CG 3.2Å; A299-E303 PolarHBondContact O-N 3.04Å; E303-K305 VanDerWaalsContact C-N 3.25Å; E303-K305 PolarHBondContact O-N 3.3Å
304K96.7Very high95.2Very high96 Ų9637.4 Ų37.442%0.41718%0.182SC..THydrogen-bonded Turntrans-81-0.8173.5-63.4-59.9-178.3-170.80113.5F272 L300 A301 D302 L306F272-K304 HydrophobicContact CE1-CD 4.39Å; F272-K304 HydrophobicContact CE2-CB 4.39Å; F272-K304 HydrophobicContact CZ-CD 4.24Å; L300-K304 VanDerWaalsContact O-CG 3.31Å; L300-K304 WeakPolarHBondContact O-CG 3.28Å; L300-K304 PolarHBondContact O-N 3.45Å; L300-K304 VanDerWaalsContact O-N 3.14Å; A301-K304 CarbonylContact O-C 3.51Å; A301-K304 PolarHBondContact O-N 3.06Å; D302-K304 VanDerWaalsContact C-N 3.26Å; D302-K304 PolarHBondContact O-N 3.09Å; K304-L306 VanDerWaalsContact C-N 3.33Å; K304-L306 HydrophobicContact CB-CD1 3.95Å; K304-L306 HydrophobicContact CB-CD2 3.89Å; K304-L306 HydrophobicContact CB-CG 3.65Å; K304-L306 WeakPolarHBondContact O-CD2 3.42Å; K304-L306 PolarHBondContact O-N 2.85Å
305K96.6Very high94.3Very high165 Ų16537.6 Ų37.672%0.71719%0.185SC*.THydrogen-bonded Turntrans57.837.2179.7-56.9-176.3-179.3-179.40114.4A301 D302 E303 S345A301-K305 PolarHBondContact O-N 2.86Å; D302-K305 WeakPolarHBondContact O-CA 3.21Å; D302-K305 PolarHBondContact O-N 2.85Å; E303-K305 VanDerWaalsContact C-N 3.25Å; E303-K305 PolarHBondContact O-N 3.3Å; K305-S345 VanDerWaalsContact C-OG 3.25Å; K305-S345 WeakPolarHBondContact CA-OG 3.28Å
306L96.3Very high93.4Very high6 Ų636.2 Ų36.23%0.03118%0.181CC..  trans-83.7135.1-173.2-51.7-177.3000112E213 A214 F272 A301 K304 S345 I346E213-L306 HydrophobicContact CB-CB 4.12Å; E213-L306 HydrophobicContact CB-CD2 4.13Å; E213-L306 HydrophobicContact CB-CG 4.47Å; E213-L306 WeakPolarHBondContact OE2-CA 3.35Å; A214-L306 HydrophobicContact CB-CD1 3.54Å; F272-L306 HydrophobicContact CB-CD1 4.47Å; F272-L306 HydrophobicContact CD2-CD1 3.79Å; F272-L306 HydrophobicContact CD2-CD2 3.81Å; F272-L306 HydrophobicContact CD2-CG 4.43Å; F272-L306 HydrophobicContact CE2-CD2 3.87Å; F272-L306 HydrophobicContact CG-CD1 4.49Å; A301-L306 HydrophobicContact CB-CB 4.35Å; A301-L306 HydrophobicContact CB-CD1 4.3Å; A301-L306 WeakPolarHBondContact O-CG 3.49Å; A301-L306 PolarHBondContact O-N 3.23Å; K304-L306 VanDerWaalsContact C-N 3.33Å; K304-L306 HydrophobicContact CB-CD1 3.95Å; K304-L306 HydrophobicContact CB-CD2 3.89Å; K304-L306 HydrophobicContact CB-CG 3.65Å; K304-L306 WeakPolarHBondContact O-CD2 3.42Å; K304-L306 PolarHBondContact O-N 2.85Å; L306-S345 PolarHBondContact N-OG 3.28Å; L306-S345 CarbonylContact O-C 3.59Å; L306-S345 PolarHBondContact O-OG 3.39Å; L306-I346 VanDerWaalsContact O-CA 3.24Å; L306-I346 WeakPolarHBondContact O-CA 3.46Å; L306-I346 VanDerWaalsContact O-CG1 3.31Å; L306-I346 WeakPolarHBondContact O-CG1 3.05Å; L306-I346 PolarHBondContact O-N 3Å
307K95.6Very high92.6Very high135 Ų13536.1 Ų36.159%0.58719%0.193SC*.SBendtrans-83.4-28.2-179.1-61.2174.7-177175.60112.7E213 K347 T348E213-K307 PolarHBondContact OE2-N 3.04Å; K307-K347 PolarHBondContact O-N 3.36Å; K307-T348 PolarHBondContact O-N 2.98Å
308S94.8Very high91.7Very high9 Ų942.2 Ų42.26%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-138137.5-174.755.80000113.8E211 V212 E213 A214 T348E211-S308 PolarHBondContact O-OG 2.71Å; V212-S308 WeakPolarHBondContact CA-OG 3.36Å; E213-S308 PolarHBondContact N-O 3.5Å; E213-S308 VanDerWaalsContact N-O 3.09Å; E213-S308 PolarHBondContact N-OG 3.03Å; A214-S308 PolarHBondContact N-O 2.89Å; A214-S308 VanDerWaalsContact N-O 3.09Å; S308-T348 VanDerWaalsContact CA-O 3.3Å; S308-T348 WeakPolarHBondContact CA-O 3.26Å
309I95.6Very high91.2Very high0 Ų044.3 Ų44.30%023%0.227CC..EExtended strand (participates in β ladder)trans-140.2137.8-175.7-168.8171.7000111.3A214 I216 I274 L298 A301 F311 I346 T348 V349 Y350A214-I309 HydrophobicContact CB-CG1 4.15Å; A214-I309 CarbonylContact O-C 3.59Å; A214-I309 WeakPolarHBondContact O-CA 3.38Å; I216-I309 HydrophobicContact CD1-CD1 3.66Å; I216-I309 HydrophobicContact CD1-CG1 4Å; I216-I309 HydrophobicContact CG1-CD1 4.34Å; I216-I309 HydrophobicContact CG1-CG1 4.24Å; I274-I309 HydrophobicContact CD1-CD1 4.22Å; L298-I309 HydrophobicContact CD2-CD1 4.47Å; L298-I309 HydrophobicContact CD2-CG2 4.43Å; A301-I309 HydrophobicContact CB-CD1 3.73Å; I309-F311 HydrophobicContact CD1-CE2 3.87Å; I309-F311 HydrophobicContact CD1-CZ 4.36Å; I309-F311 HydrophobicContact CG1-CD2 4.4Å; I309-F311 HydrophobicContact CG1-CE2 4Å; I309-F311 HydrophobicContact CG2-CD2 4.39Å; I309-F311 HydrophobicContact CG2-CE2 3.92Å; I309-I346 HydrophobicContact CG2-CG2 4.11Å; I309-T348 PolarHBondContact N-O 3.33Å; I309-T348 VanDerWaalsContact N-O 3.1Å; I309-V349 HydrophobicContact CG2-CB 4.31Å; I309-V349 HydrophobicContact CG2-CG1 4.23Å; I309-V349 HydrophobicContact CG2-CG2 3.9Å; I309-V349 CarbonylContact O-C 3.59Å; I309-V349 WeakPolarHBondContact O-CA 3.41Å; I309-Y350 PolarHBondContact O-N 3.42Å
310A93.9Very high90.9Very high1 Ų144.9 Ų44.91%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-112.6122.4179.500000112.5V212 A214 I216 Y350 V352V212-A310 HydrophobicContact CG1-CB 4.4Å; V212-A310 HydrophobicContact CG2-CB 3.8Å; A214-A310 PolarHBondContact O-N 3.45Å; I216-A310 WeakPolarHBondContact CB-O 3.44Å; I216-A310 WeakPolarHBondContact CG1-O 3.38Å; I216-A310 PolarHBondContact N-O 3.03Å; A310-Y350 CarbonylContact C-O 3.57Å; A310-Y350 WeakPolarHBondContact CA-O 3.31Å; A310-V352 HydrophobicContact CB-CG2 4.03Å
311F93.6Very high90.8Very high0 Ų043.9 Ų43.90%023%0.231CC..EExtended strand (participates in β ladder)trans-100.4128.3175.3-77.4-108.2000110.5I216 V294 C297 L298 I309 I314 I330 V349 Y350 F351 V352I216-F311 HydrophobicContact CD1-CE2 4.5Å; I216-F311 HydrophobicContact CD1-CZ 4.35Å; I216-F311 HydrophobicContact CG1-CD1 4.07Å; I216-F311 HydrophobicContact CG1-CD2 4.01Å; I216-F311 HydrophobicContact CG1-CE1 4.11Å; I216-F311 HydrophobicContact CG1-CE2 4.09Å; I216-F311 HydrophobicContact CG1-CG 3.99Å; I216-F311 HydrophobicContact CG1-CZ 4.12Å; V294-F311 HydrophobicContact CB-CE1 4.49Å; V294-F311 HydrophobicContact CG1-CE1 3.95Å; V294-F311 HydrophobicContact CG1-CZ 4.29Å; V294-F311 HydrophobicContact CG2-CE1 4.3Å; C297-F311 HydrophobicContact CB-CZ 4.41Å; L298-F311 HydrophobicContact CD2-CE2 4.02Å; L298-F311 HydrophobicContact CD2-CZ 3.96Å; L298-F311 HydrophobicContact CG-CZ 4.22Å; I309-F311 HydrophobicContact CD1-CE2 3.87Å; I309-F311 HydrophobicContact CD1-CZ 4.36Å; I309-F311 HydrophobicContact CG1-CD2 4.4Å; I309-F311 HydrophobicContact CG1-CE2 4Å; I309-F311 HydrophobicContact CG2-CD2 4.39Å; I309-F311 HydrophobicContact CG2-CE2 3.92Å; F311-I314 HydrophobicContact CD1-CD1 3.57Å; F311-I314 HydrophobicContact CD1-CG1 4.34Å; F311-I314 HydrophobicContact CE1-CD1 3.94Å; F311-I330 HydrophobicContact CD1-CG2 4.39Å; F311-V349 HydrophobicContact CD2-CG1 3.63Å; F311-V349 HydrophobicContact CE2-CG1 3.93Å; F311-Y350 PolarHBondContact N-O 3.17Å; F311-F351 HydrophobicContact CB-CD1 3.8Å; F311-F351 HydrophobicContact CB-CE1 4.04Å; F311-F351 HydrophobicContact CG-CE1 4.36Å; F311-F351 WeakPolarHBondContact O-CA 3.43Å; F311-V352 PolarHBondContact O-N 3.15Å
312P90.6Very high90.7Very high15 Ų1546.5 Ų46.510%0.09725%0.248CC..  trans-75-178.2158.133.7-32.7000110.3I204 P218 L229 I314I204-P312 HydrophobicContact CD1-CB 3.81Å; I204-P312 HydrophobicContact CD1-CG 4.44Å; P218-P312 HydrophobicContact CG-CG 3.72Å; L229-P312 HydrophobicContact CD2-CB 4.28Å; L229-P312 HydrophobicContact CD2-CG 3.93Å; P312-I314 VanDerWaalsContact C-N 3.35Å; P312-I314 HydrophobicContact CG-CG1 4.31Å; P312-I314 PolarHBondContact O-N 3.11Å
313S84.4Confident90.6Very high28 Ų2847.8 Ų47.820%0.19625%0.253CS..  trans-7288.5167.2-148.50000110.2S316S313-S316 WeakPolarHBondContact CB-OG 3.41Å; S313-S316 PolarHBondContact O-OG 2.86Å; S313-S316 PolarHBondContact OG-OG 2.9Å
314I84.5Confident90.5Very high0 Ų044.3 Ų44.30%024%0.236CC..  trans-67.6140.3-179.6-48.7-171.6000109.9I216 P218 L290 F311 P312 S316 I330I216-I314 HydrophobicContact CG2-CD1 3.73Å; P218-I314 HydrophobicContact CB-CG2 4.2Å; P218-I314 HydrophobicContact CG-CB 4.21Å; P218-I314 HydrophobicContact CG-CD1 4.33Å; P218-I314 HydrophobicContact CG-CG1 3.81Å; P218-I314 HydrophobicContact CG-CG2 3.98Å; L290-I314 HydrophobicContact CD1-CB 4.44Å; L290-I314 HydrophobicContact CD1-CG2 3.85Å; F311-I314 HydrophobicContact CD1-CD1 3.57Å; F311-I314 HydrophobicContact CD1-CG1 4.34Å; F311-I314 HydrophobicContact CE1-CD1 3.94Å; P312-I314 VanDerWaalsContact C-N 3.35Å; P312-I314 HydrophobicContact CG-CG1 4.31Å; P312-I314 PolarHBondContact O-N 3.11Å; I314-S316 PolarHBondContact O-N 3.16Å; I314-I330 HydrophobicContact CB-CD1 3.87Å; I314-I330 HydrophobicContact CG1-CD1 4.42Å
315G80.4Confident90.4Very high5 Ų541.1 Ų41.15%0.05223%0.225CC..SBendtrans78.4-34.6174.100000115.3G317 N319 G320 F321G315-G317 VanDerWaalsContact C-N 3.32Å; G315-G317 PolarHBondContact O-N 2.94Å; G315-N319 CarbonylContact O-C 3.55Å; G315-N319 VanDerWaalsContact O-C 3.28Å; G315-G320 PolarHBondContact O-N 2.9Å; G315-G320 VanDerWaalsContact O-N 3.13Å; G315-F321 PolarHBondContact O-N 3.26Å
316S78.8Confident90.3Very high23 Ų2333.2 Ų33.216%0.16119%0.191CC..SBendtrans-77.3-10.2-172.166.50000115.7S313 I314 F321S313-S316 WeakPolarHBondContact CB-OG 3.41Å; S313-S316 PolarHBondContact O-OG 2.86Å; S313-S316 PolarHBondContact OG-OG 2.9Å; I314-S316 PolarHBondContact O-N 3.16Å; S316-F321 WeakPolarHBondContact CA-O 3.44Å
317G80.9Confident90.3Very high53 Ų5333 Ų3355%0.54619%0.189SC..SBendtrans-95.6-111171.500000112.1G315 N319 G320G315-G317 VanDerWaalsContact C-N 3.32Å; G315-G317 PolarHBondContact O-N 2.94Å; G317-N319 PolarHBondContact O-N 2.9Å; G317-G320 PolarHBondContact O-N 2.92Å
318R80.1Confident90.3Very high129 Ų12931.3 Ų31.349%0.48718%0.184SC..THydrogen-bonded Turntrans-47.1-25.4-176.2-169.1174.7-175.5176.5-0.7115.3N220 D224N220-R318 PolarHBondContact ND2-NH2 2.92Å; D224-R318 IonicContact OD1-CZ 3.81Å; D224-R318 IonicContact OD1-NH1 2.61Å; D224-R318 PolarHBondContact OD1-NH1 3.42Å; D224-R318 IonicContact OD1-NH2 3.81Å; D224-R318 PolarHBondContact OD1-NH2 3.41Å; D224-R318 IonicContact OD2-CZ 3.77Å; D224-R318 IonicContact OD2-NH1 2.7Å; D224-R318 IonicContact OD2-NH2 2.9Å; D224-R318 PolarHBondContact OD2-NH2 2.96Å
319N87.1Confident90.4Very high43 Ų4331.3 Ų31.323%0.2318%0.183CC..THydrogen-bonded Turntrans-108.93.3-173.2-68.730.9000114.2S278 P279 W281 G315 G317 F321S278-N319 PolarHBondContact O-ND2 2.98Å; P279-N319 WeakPolarHBondContact O-CB 3.46Å; P279-N319 PolarHBondContact O-ND2 3.26Å; W281-N319 WeakPolarHBondContact CB-O 3.36Å; W281-N319 PolarHBondContact N-O 3.01Å; G315-N319 CarbonylContact O-C 3.55Å; G315-N319 VanDerWaalsContact O-C 3.28Å; G317-N319 PolarHBondContact O-N 2.9Å; N319-F321 PolarHBondContact O-N 2.9Å
320G91.6Very high90.4Very high45 Ų4531.3 Ų31.346%0.46418%0.183SC..  trans7413.6164.100000118W281 G315 G317W281-G320 VanDerWaalsContact CB-C 3.48Å; W281-G320 WeakPolarHBondContact CB-O 3.3Å; G315-G320 PolarHBondContact O-N 2.9Å; G315-G320 VanDerWaalsContact O-N 3.13Å; G317-G320 PolarHBondContact O-N 2.92Å
321F95.3Very high90.5Very high6 Ų631.3 Ų31.33%0.02618%0.183CC..  trans-65.1141.3174.7-83.2-111.1000111P279 W281 C286 L290 G315 S316 N319 K323 A326 L329P279-F321 HydrophobicContact CG-CE2 4.2Å; P279-F321 HydrophobicContact CG-CZ 4.01Å; P279-F321 WeakPolarHBondContact O-CE2 3.08Å; W281-F321 HydrophobicContact CB-CD2 3.83Å; W281-F321 HydrophobicContact CB-CE2 4.21Å; W281-F321 HydrophobicContact CB-CG 4.19Å; W281-F321 HydrophobicContact CD2-CD1 4.43Å; W281-F321 HydrophobicContact CD2-CG 4.47Å; W281-F321 AromaticContact CE3-CD1 3.49Å; W281-F321 HydrophobicContact CE3-CD1 3.49Å; W281-F321 VanDerWaalsContact CE3-CD1 3.49Å; W281-F321 HydrophobicContact CE3-CD2 4.39Å; W281-F321 AromaticContact CE3-CE1 3.62Å; W281-F321 HydrophobicContact CE3-CE1 3.62Å; W281-F321 HydrophobicContact CE3-CE2 4.48Å; W281-F321 AromaticContact CE3-CG 3.92Å; W281-F321 HydrophobicContact CE3-CG 3.92Å; W281-F321 HydrophobicContact CE3-CZ 4.13Å; W281-F321 AromaticContact CZ3-CD1 3.96Å; W281-F321 HydrophobicContact CZ3-CD1 3.96Å; W281-F321 HydrophobicContact CZ3-CE1 4.01Å; C286-F321 HydrophobicContact CB-CE2 4.48Å; C286-F321 HydrophobicContact CB-CZ 3.8Å; C286-F321 WeakPolarHBondContact O-CZ 3.45Å; L290-F321 HydrophobicContact CB-CE1 4.19Å; L290-F321 HydrophobicContact CB-CZ 4.08Å; L290-F321 HydrophobicContact CD2-CD1 3.78Å; L290-F321 HydrophobicContact CD2-CE1 3.61Å; L290-F321 HydrophobicContact CD2-CG 4.33Å; L290-F321 HydrophobicContact CD2-CZ 4.03Å; G315-F321 PolarHBondContact O-N 3.26Å; S316-F321 WeakPolarHBondContact CA-O 3.44Å; N319-F321 PolarHBondContact O-N 2.9Å; F321-K323 PolarHBondContact O-N 3.21Å; F321-A326 HydrophobicContact CB-CB 4.02Å; F321-L329 HydrophobicContact CE1-CD1 4.26Å
322P95.9Very high90.6Very high55 Ų5536.6 Ų36.636%0.35721%0.206SC..  trans-56.7131.4165.3-21.432.2000110.1W281 Q324 T325 A326W281-P322 HydrophobicContact CZ2-CG 4Å; P322-Q324 PolarHBondContact O-N 3.23Å; P322-Q324 VanDerWaalsContact O-N 3.16Å; P322-T325 PolarHBondContact O-N 3.26Å; P322-A326 PolarHBondContact O-N 3.09Å
323K93.9Very high90.8Very high50 Ų5035.9 Ų35.922%0.21720%0.201CC..Hα-helixtrans-52.4-40.5-176.3-74.4175.7173.5-179.50113F321 A327 D355 E357 S358 I361F321-K323 PolarHBondContact O-N 3.21Å; K323-A327 WeakPolarHBondContact O-CB 3.46Å; K323-A327 PolarHBondContact O-N 3.32Å; K323-D355 IonicContact NZ-OD1 2.66Å; K323-D355 PolarHBondContact NZ-OD1 2.91Å; K323-D355 IonicContact NZ-OD2 2.72Å; K323-E357 HydrophobicContact CD-CG 4Å; K323-E357 IonicContact NZ-OE2 3.28Å; K323-E357 PolarHBondContact NZ-OE2 3.09Å; K323-S358 WeakPolarHBondContact CD-OG 3.42Å; K323-S358 VanDerWaalsContact CE-OG 3.24Å; K323-S358 WeakPolarHBondContact CE-OG 3.42Å; K323-S358 PolarHBondContact NZ-OG 2.94Å; K323-I361 HydrophobicContact CB-CD1 3.48Å; K323-I361 VanDerWaalsContact CB-CD1 3.48Å; K323-I361 HydrophobicContact CD-CD1 4.32Å
324Q93.8Very high91.4Very high66 Ų6634.6 Ų34.631%0.30819%0.192SC..Hα-helixtrans-60-53176.3-157.681.132.300111.8P322 A326 A327 Q328 E365P322-Q324 PolarHBondContact O-N 3.23Å; P322-Q324 VanDerWaalsContact O-N 3.16Å; Q324-A326 PolarHBondContact O-N 2.89Å; Q324-A327 PolarHBondContact O-N 3.3Å; Q324-Q328 VanDerWaalsContact O-CB 3.29Å; Q324-Q328 WeakPolarHBondContact O-CB 3.43Å; Q324-Q328 PolarHBondContact O-N 3.48Å; Q324-E365 PolarHBondContact NE2-OE1 3.3Å
325T94.6Very high91.8Very high29 Ų2936 Ų3618%0.17820%0.202CC..Hα-helixtrans-60.5-44.6-179.6-50.70000111.1W281 P322 L329W281-T325 HydrophobicContact CH2-CG2 4.25Å; W281-T325 HydrophobicContact CZ3-CG2 4.06Å; P322-T325 PolarHBondContact O-N 3.26Å; T325-L329 HydrophobicContact CG2-CD1 3.81Å; T325-L329 HydrophobicContact CG2-CG 4.45Å; T325-L329 WeakPolarHBondContact O-CB 3.45Å; T325-L329 WeakPolarHBondContact O-CD1 3.38Å; T325-L329 WeakPolarHBondContact O-CG 3.27Å; T325-L329 PolarHBondContact O-N 2.89Å
326A95.6Very high92.4Very high0 Ų038.2 Ų38.20%022%0.217CC..Hα-helixtrans-59.2-53175.500000111.7L290 F321 P322 Q324 Q328 L329 I330L290-A326 HydrophobicContact CD2-CB 4.44Å; F321-A326 HydrophobicContact CB-CB 4.02Å; P322-A326 PolarHBondContact O-N 3.09Å; Q324-A326 PolarHBondContact O-N 2.89Å; A326-Q328 PolarHBondContact O-N 3.1Å; A326-L329 PolarHBondContact O-N 2.84Å; A326-I330 HydrophobicContact CB-CD1 4.43Å; A326-I330 WeakPolarHBondContact O-CB 3.26Å; A326-I330 VanDerWaalsContact O-CD1 3.26Å; A326-I330 WeakPolarHBondContact O-CD1 3.36Å; A326-I330 WeakPolarHBondContact O-CG1 3.42Å; A326-I330 PolarHBondContact O-N 2.97Å
327A95.4Very high93.2Very high0 Ų038.1 Ų38.10%021%0.213CC..Hα-helixtrans-58.9-47.418000000112K323 Q324 L329 I330 L331 I361 Y362 E365K323-A327 WeakPolarHBondContact O-CB 3.46Å; K323-A327 PolarHBondContact O-N 3.32Å; Q324-A327 PolarHBondContact O-N 3.3Å; A327-L329 PolarHBondContact O-N 2.98Å; A327-I330 PolarHBondContact O-N 3.43Å; A327-L331 WeakPolarHBondContact O-CB 3.4Å; A327-L331 WeakPolarHBondContact O-CD1 3.43Å; A327-L331 VanDerWaalsContact O-CG 3.31Å; A327-L331 WeakPolarHBondContact O-CG 3.47Å; A327-L331 PolarHBondContact O-N 2.72Å; A327-I361 HydrophobicContact CB-CG2 3.63Å; A327-Y362 HydrophobicContact CB-CD1 4.49Å; A327-Y362 HydrophobicContact CB-CD2 3.63Å; A327-Y362 HydrophobicContact CB-CE1 4.34Å; A327-Y362 HydrophobicContact CB-CE2 3.46Å; A327-Y362 VanDerWaalsContact CB-CE2 3.46Å; A327-Y362 HydrophobicContact CB-CG 4.18Å; A327-E365 HydrophobicContact CB-CG 4.18Å
328Q95.4Very high93.7Very high100 Ų10035.7 Ų35.747%0.46719%0.187SC..Hα-helixtrans-58.8-48.5179-174.2-176.72.500111.6Q324 A326 K332 E365Q324-Q328 VanDerWaalsContact O-CB 3.29Å; Q324-Q328 WeakPolarHBondContact O-CB 3.43Å; Q324-Q328 PolarHBondContact O-N 3.48Å; A326-Q328 PolarHBondContact O-N 3.1Å; Q328-K332 WeakPolarHBondContact O-CB 3.24Å; Q328-K332 PolarHBondContact O-N 2.85Å; Q328-E365 HydrophobicContact CB-CG 4.28Å
329L96.4Very high94.2Very high9 Ų934 Ų345%0.04719%0.191CC..Hα-helixtrans-66.6-40.9179.3-68.4169.2000112.1E287 L290 E291 F321 T325 A326 A327 A333E287-L329 HydrophobicContact CB-CD1 3.65Å; E287-L329 HydrophobicContact CB-CD2 4.11Å; E287-L329 HydrophobicContact CG-CD1 3.75Å; L290-L329 HydrophobicContact CD2-CB 4.27Å; L290-L329 HydrophobicContact CD2-CD1 4.12Å; E291-L329 HydrophobicContact CG-CB 4.38Å; E291-L329 HydrophobicContact CG-CD2 4.14Å; F321-L329 HydrophobicContact CE1-CD1 4.26Å; T325-L329 HydrophobicContact CG2-CD1 3.81Å; T325-L329 HydrophobicContact CG2-CG 4.45Å; T325-L329 WeakPolarHBondContact O-CB 3.45Å; T325-L329 WeakPolarHBondContact O-CD1 3.38Å; T325-L329 WeakPolarHBondContact O-CG 3.27Å; T325-L329 PolarHBondContact O-N 2.89Å; A326-L329 PolarHBondContact O-N 2.84Å; A327-L329 PolarHBondContact O-N 2.98Å; L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 3.33Å
330I96.7Very high94.3Very high0 Ų035.9 Ų35.90%021%0.208CC..Hα-helixtrans-63.6-47.1178-68.7161.2000110.7V294 F311 I314 A326 A327 A333 I334 F351 Y362V294-I330 HydrophobicContact CG2-CB 4.3Å; V294-I330 HydrophobicContact CG2-CG1 3.83Å; V294-I330 HydrophobicContact CG2-CG2 4.25Å; F311-I330 HydrophobicContact CD1-CG2 4.39Å; I314-I330 HydrophobicContact CB-CD1 3.87Å; I314-I330 HydrophobicContact CG1-CD1 4.42Å; A326-I330 HydrophobicContact CB-CD1 4.43Å; A326-I330 WeakPolarHBondContact O-CB 3.26Å; A326-I330 VanDerWaalsContact O-CD1 3.26Å; A326-I330 WeakPolarHBondContact O-CD1 3.36Å; A326-I330 WeakPolarHBondContact O-CG1 3.42Å; A326-I330 PolarHBondContact O-N 2.97Å; A327-I330 PolarHBondContact O-N 3.43Å; I330-A333 PolarHBondContact O-N 3.27Å; I330-I334 HydrophobicContact CG2-CD1 3.73Å; I330-I334 WeakPolarHBondContact O-CD1 3.28Å; I330-I334 VanDerWaalsContact O-CG1 3.29Å; I330-I334 WeakPolarHBondContact O-CG1 3.23Å; I330-I334 PolarHBondContact O-N 3.15Å; I330-F351 HydrophobicContact CG2-CE1 3.94Å; I330-Y362 VanDerWaalsContact CD1-OH 3.29Å; I330-Y362 WeakPolarHBondContact CD1-OH 3.35Å
331L95.4Very high94.1Very high2 Ų235.3 Ų35.31%0.0120%0.195CC..Hα-helixtrans-68.7-41.1-179.8-71.8162.4000112L197 A327 A333 I334 S335 F351 Y362 E365 M366 L369L197-L331 HydrophobicContact CD1-CD2 4.06Å; A327-L331 WeakPolarHBondContact O-CB 3.4Å; A327-L331 WeakPolarHBondContact O-CD1 3.43Å; A327-L331 VanDerWaalsContact O-CG 3.31Å; A327-L331 WeakPolarHBondContact O-CG 3.47Å; A327-L331 PolarHBondContact O-N 2.72Å; L331-A333 VanDerWaalsContact C-N 3.35Å; L331-A333 PolarHBondContact O-N 2.77Å; L331-I334 PolarHBondContact O-N 2.87Å; L331-S335 WeakPolarHBondContact O-CB 3.39Å; L331-S335 PolarHBondContact O-N 3.31Å; L331-F351 HydrophobicContact CD2-CD2 4.47Å; L331-F351 HydrophobicContact CD2-CE1 4.47Å; L331-F351 HydrophobicContact CD2-CE2 3.43Å; L331-F351 VanDerWaalsContact CD2-CE2 3.43Å; L331-F351 HydrophobicContact CD2-CZ 3.43Å; L331-F351 VanDerWaalsContact CD2-CZ 3.43Å; L331-F351 HydrophobicContact CG-CZ 4.3Å; L331-Y362 HydrophobicContact CD1-CD1 4.06Å; L331-Y362 HydrophobicContact CD1-CE1 4.39Å; L331-Y362 HydrophobicContact CG-CD1 4.47Å; L331-Y362 HydrophobicContact CG-CE1 4.42Å; L331-E365 HydrophobicContact CD1-CB 3.33Å; L331-E365 HydrophobicContact CD1-CG 4.49Å; L331-M366 HydrophobicContact CD1-CG 3.97Å; L331-M366 HydrophobicContact CD2-CG 3.63Å; L331-L369 HydrophobicContact CB-CD1 4.35Å; L331-L369 HydrophobicContact CB-CD2 4.27Å; L331-L369 HydrophobicContact CD2-CD1 4.05Å
332K94.8Very high93.3Very high111 Ų11142.8 Ų42.848%0.48323%0.232SC..Hα-helixtrans-57.9-45.4170.6178.1-172.4173.1-159.30111.5E291 Q328 S336E291-K332 WeakPolarHBondContact OE1-CD 3.5Å; E291-K332 WeakPolarHBondContact OE1-CE 3.34Å; E291-K332 IonicContact OE1-NZ 2.78Å; E291-K332 PolarHBondContact OE1-NZ 3.32Å; Q328-K332 WeakPolarHBondContact O-CB 3.24Å; Q328-K332 PolarHBondContact O-N 2.85Å; K332-S336 WeakPolarHBondContact O-CB 3.24Å; K332-S336 PolarHBondContact O-N 3.09Å
333A96.1Very high92.7Very high0 Ų045.4 Ų45.40%025%0.252CS..Hα-helixtrans-66.2-40.7179.900000112.8E291 V294 K295 L329 I330 L331 Y337E291-A333 HydrophobicContact CB-CB 4.01Å; E291-A333 HydrophobicContact CG-CB 4.04Å; V294-A333 HydrophobicContact CB-CB 3.85Å; V294-A333 HydrophobicContact CG1-CB 3.69Å; K295-A333 WeakPolarHBondContact CE-O 3.35Å; K295-A333 HydrophobicContact CG-CB 4.36Å; L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 3.33Å; I330-A333 PolarHBondContact O-N 3.27Å; L331-A333 VanDerWaalsContact C-N 3.35Å; L331-A333 PolarHBondContact O-N 2.77Å; A333-Y337 VanDerWaalsContact O-CB 3.3Å; A333-Y337 WeakPolarHBondContact O-CB 3.48Å; A333-Y337 PolarHBondContact O-N 3.39Å
334I95.7Very high92.6Very high0 Ų043.5 Ų43.50%025%0.245CC..Hα-helixtrans-65.3-46.7176.1-71.7160.7000111.2L197 V294 L298 I330 L331 Y337 F338 V349 F351L197-I334 HydrophobicContact CD2-CG2 3.8Å; V294-I334 HydrophobicContact CG1-CD1 4.29Å; V294-I334 HydrophobicContact CG1-CG1 3.67Å; L298-I334 HydrophobicContact CD1-CB 4.47Å; L298-I334 HydrophobicContact CD1-CG1 3.97Å; I330-I334 HydrophobicContact CG2-CD1 3.73Å; I330-I334 WeakPolarHBondContact O-CD1 3.28Å; I330-I334 VanDerWaalsContact O-CG1 3.29Å; I330-I334 WeakPolarHBondContact O-CG1 3.23Å; I330-I334 PolarHBondContact O-N 3.15Å; L331-I334 PolarHBondContact O-N 2.87Å; I334-Y337 PolarHBondContact O-N 2.65Å; I334-F338 HydrophobicContact CG2-CD2 3.81Å; I334-F338 HydrophobicContact CG2-CE2 3.5Å; I334-F338 WeakPolarHBondContact O-CD2 3.47Å; I334-F338 PolarHBondContact O-N 3.43Å; I334-F338 VanDerWaalsContact O-N 3.08Å; I334-V349 HydrophobicContact CD1-CG1 4.27Å; I334-V349 HydrophobicContact CG2-CG2 4.45Å; I334-F351 HydrophobicContact CD1-CE1 3.68Å; I334-F351 HydrophobicContact CD1-CZ 3.49Å; I334-F351 VanDerWaalsContact CD1-CZ 3.49Å
335S92.9Very high92.7Very high31 Ų3141.8 Ų41.822%0.21724%0.24CC..Hα-helixtrans-61.8-49.1176.1-175.40000111.3L331 Y337 F338 V339L331-S335 WeakPolarHBondContact O-CB 3.39Å; L331-S335 PolarHBondContact O-N 3.31Å; S335-Y337 VanDerWaalsContact C-N 3.29Å; S335-Y337 PolarHBondContact O-N 2.98Å; S335-F338 PolarHBondContact O-N 3.46Å; S335-V339 WeakPolarHBondContact O-CG2 3.41Å; S335-V339 PolarHBondContact O-N 3.41Å
336S93.4Very high92.8Very high50 Ų5040.4 Ų40.435%0.3523%0.232SC..Hα-helixtrans-54.6-42.5174.31690000112.6K295 K332 S340K295-S336 WeakPolarHBondContact CE-OG 3.47Å; K295-S336 PolarHBondContact NZ-OG 3.24Å; K295-S336 VanDerWaalsContact NZ-OG 3.15Å; K332-S336 WeakPolarHBondContact O-CB 3.24Å; K332-S336 PolarHBondContact O-N 3.09Å; S336-S340 PolarHBondContact O-N 3.01Å; S336-S340 VanDerWaalsContact O-N 3.11Å; S336-S340 PolarHBondContact O-OG 3.28Å; S336-S340 VanDerWaalsContact O-OG 3.11Å
337Y95.6Very high92.8Very high21 Ų2145 Ų458%0.08225%0.252CS..Hα-helixtrans-64.6-50.2179-179.1-90.8000111.8K295 L298 A299 D302 A333 I334 S335 V339 S340 T341K295-Y337 HydrophobicContact CB-CD2 4.37Å; K295-Y337 HydrophobicContact CG-CD2 4.39Å; L298-Y337 HydrophobicContact CB-CD1 3.77Å; L298-Y337 HydrophobicContact CB-CD2 3.99Å; L298-Y337 HydrophobicContact CB-CE1 3.66Å; L298-Y337 HydrophobicContact CB-CE2 3.87Å; L298-Y337 HydrophobicContact CB-CG 3.94Å; L298-Y337 HydrophobicContact CD1-CD1 3.7Å; L298-Y337 HydrophobicContact CD1-CD2 4.21Å; L298-Y337 HydrophobicContact CD1-CE1 4.45Å; L298-Y337 HydrophobicContact CD1-CG 3.56Å; L298-Y337 HydrophobicContact CG-CD1 4.29Å; L298-Y337 HydrophobicContact CG-CG 4.4Å; A299-Y337 WeakPolarHBondContact CA-OH 3.05Å; A299-Y337 HydrophobicContact CB-CE2 4.38Å; D302-Y337 WeakPolarHBondContact OD2-CE1 3.43Å; D302-Y337 PolarHBondContact OD2-OH 3.27Å; A333-Y337 VanDerWaalsContact O-CB 3.3Å; A333-Y337 WeakPolarHBondContact O-CB 3.48Å; A333-Y337 PolarHBondContact O-N 3.39Å; I334-Y337 PolarHBondContact O-N 2.65Å; S335-Y337 VanDerWaalsContact C-N 3.29Å; S335-Y337 PolarHBondContact O-N 2.98Å; Y337-V339 VanDerWaalsContact C-N 3.31Å; Y337-V339 PolarHBondContact O-N 2.82Å; Y337-S340 PolarHBondContact O-N 2.91Å; Y337-S340 VanDerWaalsContact O-N 3.14Å; Y337-S340 PolarHBondContact O-OG 3.41Å; Y337-T341 HydrophobicContact CE1-CG2 4.03Å; Y337-T341 VanDerWaalsContact O-CB 3.27Å; Y337-T341 WeakPolarHBondContact O-CB 3.31Å; Y337-T341 PolarHBondContact O-N 3.03Å; Y337-T341 PolarHBondContact O-OG1 2.89Å
338F92.6Very high92.7Very high3 Ų346.3 Ų46.31%0.01326%0.26CS..Hα-helixtrans-68.1-30.5-178.3-67.5-46.9000113L191 L193 Q195 L298 I334 S335 S344 I346 V349L191-F338 HydrophobicContact CD1-CD2 3.62Å; L191-F338 HydrophobicContact CD1-CE2 4.29Å; L193-F338 VanDerWaalsContact CD1-O 3.23Å; L193-F338 WeakPolarHBondContact CD1-O 3.36Å; Q195-F338 HydrophobicContact CB-CD2 4.17Å; Q195-F338 HydrophobicContact CB-CE2 4.06Å; Q195-F338 HydrophobicContact CB-CZ 4.47Å; Q195-F338 HydrophobicContact CG-CD1 3.97Å; Q195-F338 HydrophobicContact CG-CD2 3.96Å; Q195-F338 HydrophobicContact CG-CE1 4.04Å; Q195-F338 HydrophobicContact CG-CE2 3.97Å; Q195-F338 HydrophobicContact CG-CG 3.95Å; Q195-F338 HydrophobicContact CG-CZ 4.03Å; L298-F338 HydrophobicContact CD2-CZ 4.3Å; I334-F338 HydrophobicContact CG2-CD2 3.81Å; I334-F338 HydrophobicContact CG2-CE2 3.5Å; I334-F338 WeakPolarHBondContact O-CD2 3.47Å; I334-F338 PolarHBondContact O-N 3.43Å; I334-F338 VanDerWaalsContact O-N 3.08Å; S335-F338 PolarHBondContact O-N 3.46Å; F338-S344 WeakPolarHBondContact CD1-OG 3.44Å; F338-S344 VanDerWaalsContact CE1-OG 3.24Å; F338-S344 WeakPolarHBondContact CE1-OG 3.22Å; F338-I346 HydrophobicContact CE1-CB 3.97Å; F338-I346 HydrophobicContact CE1-CD1 4.19Å; F338-I346 HydrophobicContact CE1-CG2 4.28Å; F338-I346 HydrophobicContact CZ-CB 4.12Å; F338-I346 HydrophobicContact CZ-CD1 4.38Å; F338-I346 HydrophobicContact CZ-CG2 3.9Å; F338-V349 HydrophobicContact CE2-CG2 3.85Å; F338-V349 HydrophobicContact CZ-CG2 3.85Å
339V89.8Confident92.7Very high93 Ų9341.6 Ų41.656%0.56424%0.237SC*.Hα-helixtrans-68.1-34.6171.7173.10000112S335 Y337S335-V339 WeakPolarHBondContact O-CG2 3.41Å; S335-V339 PolarHBondContact O-N 3.41Å; Y337-V339 VanDerWaalsContact C-N 3.31Å; Y337-V339 PolarHBondContact O-N 2.82Å
340S89.6Confident92.5Very high82 Ų8242.9 Ų42.957%0.57324%0.242SC*.Hα-helixtrans-79.1-32.5174.555.60000114.1S336 Y337 M342S336-S340 PolarHBondContact O-N 3.01Å; S336-S340 VanDerWaalsContact O-N 3.11Å; S336-S340 PolarHBondContact O-OG 3.28Å; S336-S340 VanDerWaalsContact O-OG 3.11Å; Y337-S340 PolarHBondContact O-N 2.91Å; Y337-S340 VanDerWaalsContact O-N 3.14Å; Y337-S340 PolarHBondContact O-OG 3.41Å; S340-M342 PolarHBondContact O-N 2.87Å
341T87.1Confident92.4Very high34 Ų3442.9 Ų42.921%0.20924%0.242CC..  trans-100.379.4-167.6-54.40000111.4Y337 S343 S344Y337-T341 HydrophobicContact CE1-CG2 4.03Å; Y337-T341 VanDerWaalsContact O-CB 3.27Å; Y337-T341 WeakPolarHBondContact O-CB 3.31Å; Y337-T341 PolarHBondContact O-N 3.03Å; Y337-T341 PolarHBondContact O-OG1 2.89Å; T341-S343 PolarHBondContact O-N 2.9Å; T341-S344 PolarHBondContact O-N 3.46Å; T341-S344 VanDerWaalsContact O-N 3.16Å
342M77.9Confident92.1Very high162 Ų16243 Ų4380%0.79824%0.243SC*.THydrogen-bonded Turntrans-54.5-20.6-176.6-65.5-69.5165.800115.4S340S340-M342 PolarHBondContact O-N 2.87Å
343S84.4Confident91.8Very high110 Ų11037.9 Ų37.977%0.76922%0.221SC*.THydrogen-bonded Turntrans-117.925-177.263.50000114.2T341 S345T341-S343 PolarHBondContact O-N 2.9Å; S343-S345 PolarHBondContact O-N 2.94Å
344S92.4Very high91.2Very high10 Ų1044.6 Ų44.67%0.0725%0.25CS..  trans-48.9122176.2166.70000111.9F338 T341 I346 K347F338-S344 WeakPolarHBondContact CD1-OG 3.44Å; F338-S344 VanDerWaalsContact CE1-OG 3.24Å; F338-S344 WeakPolarHBondContact CE1-OG 3.22Å; T341-S344 PolarHBondContact O-N 3.46Å; T341-S344 VanDerWaalsContact O-N 3.16Å; S344-I346 PolarHBondContact OG-N 2.67Å; S344-I346 PolarHBondContact OG-O 2.85Å; S344-K347 PolarHBondContact O-NZ 2.66Å
345S95.4Very high90.8Very high30 Ų3046 Ų4621%0.2126%0.258CS..  trans-73.3-29.9169.868.90000112D302 K305 L306 S343 K347D302-S345 WeakPolarHBondContact OD1-CA 3.26Å; D302-S345 WeakPolarHBondContact OD1-CB 3.21Å; D302-S345 PolarHBondContact OD1-N 3.01Å; D302-S345 PolarHBondContact OD1-OG 3.26Å; K305-S345 VanDerWaalsContact C-OG 3.25Å; K305-S345 WeakPolarHBondContact CA-OG 3.28Å; L306-S345 PolarHBondContact N-OG 3.28Å; L306-S345 CarbonylContact O-C 3.59Å; L306-S345 PolarHBondContact O-OG 3.39Å; S343-S345 PolarHBondContact O-N 2.94Å; S345-K347 VanDerWaalsContact O-CE 3.3Å; S345-K347 WeakPolarHBondContact O-CE 3.19Å
346I96.4Very high90.4Very high0 Ų049.4 Ų49.40%028%0.281CS..  trans-59137.5175.7-52.3165000109.8L298 A301 D302 L306 I309 F338 S344 V349L298-I346 HydrophobicContact CB-CD1 4.29Å; L298-I346 HydrophobicContact CD2-CD1 3.79Å; A301-I346 HydrophobicContact CB-CD1 3.94Å; A301-I346 HydrophobicContact CB-CG1 4.31Å; D302-I346 PolarHBondContact OD1-N 2.82Å; L306-I346 VanDerWaalsContact O-CA 3.24Å; L306-I346 WeakPolarHBondContact O-CA 3.46Å; L306-I346 VanDerWaalsContact O-CG1 3.31Å; L306-I346 WeakPolarHBondContact O-CG1 3.05Å; L306-I346 PolarHBondContact O-N 3Å; I309-I346 HydrophobicContact CG2-CG2 4.11Å; F338-I346 HydrophobicContact CE1-CB 3.97Å; F338-I346 HydrophobicContact CE1-CD1 4.19Å; F338-I346 HydrophobicContact CE1-CG2 4.28Å; F338-I346 HydrophobicContact CZ-CB 4.12Å; F338-I346 HydrophobicContact CZ-CD1 4.38Å; F338-I346 HydrophobicContact CZ-CG2 3.9Å; S344-I346 PolarHBondContact OG-N 2.67Å; S344-I346 PolarHBondContact OG-O 2.85Å; I346-V349 HydrophobicContact CG2-CG2 4.21Å
347K94.4Very high90.2Very high98 Ų9852.7 Ų52.743%0.42629%0.291SS..  trans-125-27.1175.6-55.4-62.6147-133.20112.5Q195 K196 K307 S344 S345Q195-K347 CarbonylContact C-O 3.57Å; Q195-K347 WeakPolarHBondContact CA-O 3.42Å; K196-K347 PolarHBondContact N-O 2.85Å; K307-K347 PolarHBondContact O-N 3.36Å; S344-K347 PolarHBondContact O-NZ 2.66Å; S345-K347 VanDerWaalsContact O-CE 3.3Å; S345-K347 WeakPolarHBondContact O-CE 3.19Å
348T93.6Very high90Very high27 Ų2751.8 Ų51.817%0.16629%0.288CS..EExtended strand (participates in β ladder)trans-133.1127.1180-490000111.8K196 N198 K307 S308 I309 Y350K196-T348 CarbonylContact O-C 3.58Å; K196-T348 WeakPolarHBondContact O-CA 3.31Å; N198-T348 WeakPolarHBondContact ND2-CG2 3.39Å; K307-T348 PolarHBondContact O-N 2.98Å; S308-T348 VanDerWaalsContact CA-O 3.3Å; S308-T348 WeakPolarHBondContact CA-O 3.26Å; I309-T348 PolarHBondContact N-O 3.33Å; I309-T348 VanDerWaalsContact N-O 3.1Å; T348-Y350 HydrophobicContact CG2-CD1 4.02Å; T348-Y350 HydrophobicContact CG2-CD2 4.24Å; T348-Y350 HydrophobicContact CG2-CE1 3.54Å; T348-Y350 HydrophobicContact CG2-CE2 3.79Å; T348-Y350 HydrophobicContact CG2-CG 4.37Å; T348-Y350 VanDerWaalsContact CG2-CZ 3.42Å
349V95.4Very high89.8Confident0 Ų052.7 Ų52.70%029%0.293CS..EExtended strand (participates in β ladder)trans-109130.3166.8-176.50000108K196 L197 N198 I309 F311 I334 F338 I346 F351K196-V349 PolarHBondContact O-N 3.08Å; L197-V349 CarbonylContact C-O 3.54Å; L197-V349 WeakPolarHBondContact CA-O 3.46Å; L197-V349 HydrophobicContact CD2-CB 3.7Å; L197-V349 HydrophobicContact CD2-CG1 4.43Å; L197-V349 HydrophobicContact CD2-CG2 3.93Å; N198-V349 PolarHBondContact N-O 2.71Å; I309-V349 HydrophobicContact CG2-CB 4.31Å; I309-V349 HydrophobicContact CG2-CG1 4.23Å; I309-V349 HydrophobicContact CG2-CG2 3.9Å; I309-V349 CarbonylContact O-C 3.59Å; I309-V349 WeakPolarHBondContact O-CA 3.41Å; F311-V349 HydrophobicContact CD2-CG1 3.63Å; F311-V349 HydrophobicContact CE2-CG1 3.93Å; I334-V349 HydrophobicContact CD1-CG1 4.27Å; I334-V349 HydrophobicContact CG2-CG2 4.45Å; F338-V349 HydrophobicContact CE2-CG2 3.85Å; F338-V349 HydrophobicContact CZ-CG2 3.85Å; I346-V349 HydrophobicContact CG2-CG2 4.21Å; V349-F351 HydrophobicContact CG1-CE1 4.31Å; V349-F351 HydrophobicContact CG1-CZ 4.19Å
350Y93.3Very high89.8Confident36 Ų3649.6 Ų49.614%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-106.9132.2176-61.5-70.3000110N198 I200 F210 V212 I309 A310 F311 T348N198-Y350 HydrophobicContact CB-CD1 3.6Å; N198-Y350 HydrophobicContact CB-CE1 3.96Å; N198-Y350 CarbonylContact O-C 3.56Å; N198-Y350 WeakPolarHBondContact O-CA 3.4Å; I200-Y350 HydrophobicContact CD1-CD1 3.35Å; I200-Y350 HydrophobicContact CD1-CE1 4.14Å; I200-Y350 HydrophobicContact CD1-CG 4.01Å; F210-Y350 HydrophobicContact CD1-CE2 4.45Å; F210-Y350 HydrophobicContact CE1-CD1 4.07Å; F210-Y350 HydrophobicContact CE1-CE1 4.07Å; F210-Y350 HydrophobicContact CE1-CG 4.36Å; V212-Y350 HydrophobicContact CB-CD2 4.22Å; V212-Y350 HydrophobicContact CB-CE2 4.29Å; V212-Y350 HydrophobicContact CG2-CD2 3.86Å; V212-Y350 HydrophobicContact CG2-CE2 4.23Å; I309-Y350 PolarHBondContact O-N 3.42Å; A310-Y350 CarbonylContact C-O 3.57Å; A310-Y350 WeakPolarHBondContact CA-O 3.31Å; F311-Y350 PolarHBondContact N-O 3.17Å; T348-Y350 HydrophobicContact CG2-CD1 4.02Å; T348-Y350 HydrophobicContact CG2-CD2 4.24Å; T348-Y350 HydrophobicContact CG2-CE1 3.54Å; T348-Y350 HydrophobicContact CG2-CE2 3.79Å; T348-Y350 HydrophobicContact CG2-CG 4.37Å; T348-Y350 VanDerWaalsContact CG2-CZ 3.42Å
351F93.6Very high90Very high0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-102.1113.4166-61.1-65.2000108.4L197 N198 L199 I200 F311 I330 L331 I334 V349 Y362 M366L197-F351 HydrophobicContact CB-CE2 4.12Å; L197-F351 HydrophobicContact CD1-CE2 4.41Å; N198-F351 PolarHBondContact O-N 3.5Å; L199-F351 HydrophobicContact CD1-CB 3.78Å; I200-F351 PolarHBondContact N-O 3.03Å; F311-F351 HydrophobicContact CB-CD1 3.8Å; F311-F351 HydrophobicContact CB-CE1 4.04Å; F311-F351 HydrophobicContact CG-CE1 4.36Å; F311-F351 WeakPolarHBondContact O-CA 3.43Å; I330-F351 HydrophobicContact CG2-CE1 3.94Å; L331-F351 HydrophobicContact CD2-CD2 4.47Å; L331-F351 HydrophobicContact CD2-CE1 4.47Å; L331-F351 HydrophobicContact CD2-CE2 3.43Å; L331-F351 VanDerWaalsContact CD2-CE2 3.43Å; L331-F351 HydrophobicContact CD2-CZ 3.43Å; L331-F351 VanDerWaalsContact CD2-CZ 3.43Å; L331-F351 HydrophobicContact CG-CZ 4.3Å; I334-F351 HydrophobicContact CD1-CE1 3.68Å; I334-F351 HydrophobicContact CD1-CZ 3.49Å; I334-F351 VanDerWaalsContact CD1-CZ 3.49Å; V349-F351 HydrophobicContact CG1-CE1 4.31Å; V349-F351 HydrophobicContact CG1-CZ 4.19Å; F351-Y362 HydrophobicContact CB-CD1 4.18Å; F351-Y362 HydrophobicContact CB-CE1 4.3Å; F351-Y362 HydrophobicContact CD1-CD1 4.04Å; F351-Y362 AromaticContact CD1-CE1 3.47Å; F351-Y362 HydrophobicContact CD1-CE1 3.47Å; F351-Y362 VanDerWaalsContact CD1-CE1 3.47Å; F351-Y362 HydrophobicContact CD2-CD1 4.01Å; F351-Y362 HydrophobicContact CD2-CE1 4.24Å; F351-Y362 HydrophobicContact CE1-CD1 4.45Å; F351-Y362 AromaticContact CE1-CE1 3.76Å; F351-Y362 HydrophobicContact CE1-CE1 3.76Å; F351-Y362 HydrophobicContact CE2-CD1 4.41Å; F351-Y362 HydrophobicContact CE2-CE1 4.47Å; F351-Y362 AromaticContact CG-CD1 3.8Å; F351-Y362 HydrophobicContact CG-CD1 3.8Å; F351-Y362 AromaticContact CG-CE1 3.74Å; F351-Y362 HydrophobicContact CG-CE1 3.74Å; F351-Y362 HydrophobicContact CZ-CE1 4.24Å; F351-M366 HydrophobicContact CD2-SD 3.85Å; F351-M366 HydrophobicContact CE2-SD 4.09Å
352V90.4Very high90.3Very high6 Ų644.9 Ų44.94%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-105.699.8-173.4-173.80000108.3S202 I204 L207 A310 F311S202-V352 WeakPolarHBondContact O-CG1 3.3Å; I204-V352 HydrophobicContact CD1-CB 4.41Å; I204-V352 HydrophobicContact CG1-CB 4.01Å; I204-V352 HydrophobicContact CG1-CG1 3.64Å; L207-V352 HydrophobicContact CD2-CG1 4.43Å; L207-V352 HydrophobicContact CD2-CG2 4.36Å; A310-V352 HydrophobicContact CB-CG2 4.03Å; F311-V352 PolarHBondContact O-N 3.15Å
353L88.6Confident90.9Very high3 Ų340 Ų402%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-121.3145.2-173.3-54.6-176.8000110.7L199 I200 H201 S202 S358 I359 Y362L199-L353 HydrophobicContact CD1-CD1 3.59Å; L199-L353 HydrophobicContact CD1-CG 4.03Å; I200-L353 PolarHBondContact O-N 3.47Å; I200-L353 VanDerWaalsContact O-N 3.08Å; H201-L353 WeakPolarHBondContact CA-O 3.25Å; S202-L353 PolarHBondContact N-O 3.08Å; S202-L353 CarbonylContact O-C 3.58Å; L353-S358 WeakPolarHBondContact CD1-O 3.45Å; L353-I359 HydrophobicContact CB-CG1 3.81Å; L353-I359 HydrophobicContact CD1-CG1 4.39Å; L353-Y362 HydrophobicContact CD1-CD1 4.49Å; L353-Y362 HydrophobicContact CD1-CD2 3.46Å; L353-Y362 VanDerWaalsContact CD1-CD2 3.46Å; L353-Y362 HydrophobicContact CD1-CE2 4.02Å; L353-Y362 HydrophobicContact CD1-CG 3.71Å; L353-Y362 HydrophobicContact CD2-CE2 4.44Å
354F83.6Confident91.1Very high141 Ų14140 Ų4062%0.61821%0.214SC*.  trans-111.3-19.5-176.769.6-88.1000113.7H201 E203H201-F354 PolarHBondContact NE2-O 3.13Å; E203-F354 HydrophobicContact CG-CB 4.09Å
355D86.3Confident91.1Very high30 Ų3040.1 Ų40.116%0.1621%0.213CC..SBendtrans-110.2140.9-176.777.998.7000112.9K323 E357 S358 I359K323-D355 IonicContact NZ-OD1 2.66Å; K323-D355 PolarHBondContact NZ-OD1 2.91Å; K323-D355 IonicContact NZ-OD2 2.72Å; D355-E357 PolarHBondContact O-N 3.03Å; D355-E357 WeakPolarHBondContact OD1-CB 3.43Å; D355-E357 PolarHBondContact OD1-N 3.48Å; D355-S358 PolarHBondContact O-N 3.25Å; D355-S358 PolarHBondContact OD1-N 3.07Å; D355-S358 PolarHBondContact OD1-OG 3.38Å; D355-S358 WeakPolarHBondContact OD2-CB 3.44Å; D355-S358 PolarHBondContact OD2-OG 3.34Å; D355-I359 WeakPolarHBondContact O-CB 3.27Å; D355-I359 WeakPolarHBondContact O-CD1 3.35Å; D355-I359 VanDerWaalsContact O-CG1 3.31Å; D355-I359 WeakPolarHBondContact O-CG1 3.43Å; D355-I359 PolarHBondContact O-N 3.46Å
356S84.5Confident90.9Very high101 Ų10138.7 Ų38.771%0.70620%0.203SC*.Hα-helixtrans-64.7-25.5-173.5-49.50000114.1G360S356-G360 PolarHBondContact O-N 3.39Å
357E89.8Confident90.4Very high119 Ų11941.3 Ų41.356%0.55623%0.225SC*.Hα-helixtrans-71.6-54.2177.4-179.7-169.6-169.300110.2K323 D355 I359 G360 I361K323-E357 HydrophobicContact CD-CG 4Å; K323-E357 IonicContact NZ-OE2 3.28Å; K323-E357 PolarHBondContact NZ-OE2 3.09Å; D355-E357 PolarHBondContact O-N 3.03Å; D355-E357 WeakPolarHBondContact OD1-CB 3.43Å; D355-E357 PolarHBondContact OD1-N 3.48Å; E357-I359 PolarHBondContact O-N 3.38Å; E357-G360 PolarHBondContact O-N 2.89Å; E357-I361 HydrophobicContact CG-CD1 3.95Å; E357-I361 WeakPolarHBondContact O-CB 3.49Å; E357-I361 VanDerWaalsContact O-CG1 3.25Å; E357-I361 WeakPolarHBondContact O-CG1 3.49Å; E357-I361 PolarHBondContact O-N 3.04Å
358S90.2Very high90.1Very high2 Ų241.4 Ų41.41%0.01423%0.225CC..Hα-helixtrans-59.2-38175.3-53.80000111.4K323 L353 D355 I361 Y362K323-S358 WeakPolarHBondContact CD-OG 3.42Å; K323-S358 VanDerWaalsContact CE-OG 3.24Å; K323-S358 WeakPolarHBondContact CE-OG 3.42Å; K323-S358 PolarHBondContact NZ-OG 2.94Å; L353-S358 WeakPolarHBondContact CD1-O 3.45Å; D355-S358 PolarHBondContact O-N 3.25Å; D355-S358 PolarHBondContact OD1-N 3.07Å; D355-S358 PolarHBondContact OD1-OG 3.38Å; D355-S358 WeakPolarHBondContact OD2-CB 3.44Å; D355-S358 PolarHBondContact OD2-OG 3.34Å; S358-I361 PolarHBondContact O-N 3.49Å; S358-Y362 WeakPolarHBondContact O-CB 3.37Å; S358-Y362 WeakPolarHBondContact O-CD2 3.01Å; S358-Y362 PolarHBondContact O-N 2.79Å
359I89.9Confident89.4Confident22 Ų2241.9 Ų41.911%0.11323%0.227CC..Hα-helixtrans-58.3-53.8173.7-75.8165.1000111.3L186 L199 H201 L353 D355 E357 I361 Y362 V363L186-I359 HydrophobicContact CD1-CB 4.32Å; L186-I359 HydrophobicContact CD1-CD1 3.98Å; L186-I359 HydrophobicContact CD1-CG1 4.03Å; L186-I359 HydrophobicContact CD1-CG2 3.35Å; L199-I359 HydrophobicContact CD2-CG2 4.38Å; H201-I359 HydrophobicContact CB-CD1 4.17Å; L353-I359 HydrophobicContact CB-CG1 3.81Å; L353-I359 HydrophobicContact CD1-CG1 4.39Å; D355-I359 WeakPolarHBondContact O-CB 3.27Å; D355-I359 WeakPolarHBondContact O-CD1 3.35Å; D355-I359 VanDerWaalsContact O-CG1 3.31Å; D355-I359 WeakPolarHBondContact O-CG1 3.43Å; D355-I359 PolarHBondContact O-N 3.46Å; E357-I359 PolarHBondContact O-N 3.38Å; I359-I361 VanDerWaalsContact C-N 3.31Å; I359-I361 PolarHBondContact O-N 2.98Å; I359-Y362 PolarHBondContact O-N 3.06Å; I359-V363 WeakPolarHBondContact O-CG2 3Å; I359-V363 PolarHBondContact O-N 3.16Å
360G88.7Confident87.7Confident28 Ų2847 Ų4729%0.28925%0.254SS..Hα-helixtrans-60.5-40.6179.900000112.6S356 E357 V363 Q364S356-G360 PolarHBondContact O-N 3.39Å; E357-G360 PolarHBondContact O-N 2.89Å; G360-V363 PolarHBondContact O-N 3.46Å; G360-Q364 WeakPolarHBondContact O-CG 3.36Å; G360-Q364 PolarHBondContact O-N 3.14Å
361I93.5Very high85.4Confident16 Ų1649 Ų498%0.08228%0.277CS..Hα-helixtrans-61.9-47.5176-70173.5000111.4K323 A327 E357 S358 I359 V363 Q364 E365K323-I361 HydrophobicContact CB-CD1 3.48Å; K323-I361 VanDerWaalsContact CB-CD1 3.48Å; K323-I361 HydrophobicContact CD-CD1 4.32Å; A327-I361 HydrophobicContact CB-CG2 3.63Å; E357-I361 HydrophobicContact CG-CD1 3.95Å; E357-I361 WeakPolarHBondContact O-CB 3.49Å; E357-I361 VanDerWaalsContact O-CG1 3.25Å; E357-I361 WeakPolarHBondContact O-CG1 3.49Å; E357-I361 PolarHBondContact O-N 3.04Å; S358-I361 PolarHBondContact O-N 3.49Å; I359-I361 VanDerWaalsContact C-N 3.31Å; I359-I361 PolarHBondContact O-N 2.98Å; I361-V363 PolarHBondContact O-N 3.33Å; I361-Q364 PolarHBondContact O-N 2.99Å; I361-E365 PolarHBondContact O-N 3.43Å
362Y93.4Very high82.6Confident1 Ų159.5 Ų59.50%0.00433%0.334CS..Hα-helixtrans-67.2-34.1178.5-91.9-101.7000112.7L199 A327 I330 L331 F351 L353 S358 I359 M366L199-Y362 HydrophobicContact CD1-CG 4.44Å; A327-Y362 HydrophobicContact CB-CD1 4.49Å; A327-Y362 HydrophobicContact CB-CD2 3.63Å; A327-Y362 HydrophobicContact CB-CE1 4.34Å; A327-Y362 HydrophobicContact CB-CE2 3.46Å; A327-Y362 VanDerWaalsContact CB-CE2 3.46Å; A327-Y362 HydrophobicContact CB-CG 4.18Å; I330-Y362 VanDerWaalsContact CD1-OH 3.29Å; I330-Y362 WeakPolarHBondContact CD1-OH 3.35Å; L331-Y362 HydrophobicContact CD1-CD1 4.06Å; L331-Y362 HydrophobicContact CD1-CE1 4.39Å; L331-Y362 HydrophobicContact CG-CD1 4.47Å; L331-Y362 HydrophobicContact CG-CE1 4.42Å; F351-Y362 HydrophobicContact CB-CD1 4.18Å; F351-Y362 HydrophobicContact CB-CE1 4.3Å; F351-Y362 HydrophobicContact CD1-CD1 4.04Å; F351-Y362 AromaticContact CD1-CE1 3.47Å; F351-Y362 HydrophobicContact CD1-CE1 3.47Å; F351-Y362 VanDerWaalsContact CD1-CE1 3.47Å; F351-Y362 HydrophobicContact CD2-CD1 4.01Å; F351-Y362 HydrophobicContact CD2-CE1 4.24Å; F351-Y362 HydrophobicContact CE1-CD1 4.45Å; F351-Y362 AromaticContact CE1-CE1 3.76Å; F351-Y362 HydrophobicContact CE1-CE1 3.76Å; F351-Y362 HydrophobicContact CE2-CD1 4.41Å; F351-Y362 HydrophobicContact CE2-CE1 4.47Å; F351-Y362 AromaticContact CG-CD1 3.8Å; F351-Y362 HydrophobicContact CG-CD1 3.8Å; F351-Y362 AromaticContact CG-CE1 3.74Å; F351-Y362 HydrophobicContact CG-CE1 3.74Å; F351-Y362 HydrophobicContact CZ-CE1 4.24Å; L353-Y362 HydrophobicContact CD1-CD1 4.49Å; L353-Y362 HydrophobicContact CD1-CD2 3.46Å; L353-Y362 VanDerWaalsContact CD1-CD2 3.46Å; L353-Y362 HydrophobicContact CD1-CE2 4.02Å; L353-Y362 HydrophobicContact CD1-CG 3.71Å; L353-Y362 HydrophobicContact CD2-CE2 4.44Å; S358-Y362 WeakPolarHBondContact O-CB 3.37Å; S358-Y362 WeakPolarHBondContact O-CD2 3.01Å; S358-Y362 PolarHBondContact O-N 2.79Å; I359-Y362 PolarHBondContact O-N 3.06Å; Y362-M366 WeakPolarHBondContact O-CB 3.49Å; Y362-M366 WeakPolarHBondContact O-CG 3.31Å; Y362-M366 PolarHBondContact O-N 3.33Å
363V90.6Very high82.3Confident61 Ų6162.2 Ų62.237%0.3735%0.349SS..Hα-helixtrans-60-49.1170.5173.50000110.5L199 I359 G360 I361 E365 M366 A367L199-V363 HydrophobicContact CD2-CG2 3.43Å; L199-V363 VanDerWaalsContact CD2-CG2 3.43Å; I359-V363 WeakPolarHBondContact O-CG2 3Å; I359-V363 PolarHBondContact O-N 3.16Å; G360-V363 PolarHBondContact O-N 3.46Å; I361-V363 PolarHBondContact O-N 3.33Å; V363-E365 PolarHBondContact O-N 3.44Å; V363-M366 PolarHBondContact O-N 2.94Å; V363-A367 PolarHBondContact O-N 3.11Å
364Q89.9Confident81.9Confident110 Ų11065.3 Ų65.351%0.51437%0.366SS..Hα-helixtrans-64.1-40.6-178.5-71.2173.511.100113.1G360 I361 K368G360-Q364 WeakPolarHBondContact O-CG 3.36Å; G360-Q364 PolarHBondContact O-N 3.14Å; I361-Q364 PolarHBondContact O-N 2.99Å; Q364-K368 WeakPolarHBondContact O-CE 3.2Å; Q364-K368 WeakPolarHBondContact O-CG 3.25Å
365E92.1Very high81.8Confident11 Ų1161.1 Ų61.15%0.05135%0.352CS..Hα-helixtrans-75.4-35.8176.5-66.2-55.5142.700112.3Q324 A327 Q328 L331 I361 V363 A367 K368Q324-E365 PolarHBondContact NE2-OE1 3.3Å; A327-E365 HydrophobicContact CB-CG 4.18Å; Q328-E365 HydrophobicContact CB-CG 4.28Å; L331-E365 HydrophobicContact CD1-CB 3.33Å; L331-E365 HydrophobicContact CD1-CG 4.49Å; I361-E365 PolarHBondContact O-N 3.43Å; V363-E365 PolarHBondContact O-N 3.44Å; E365-A367 VanDerWaalsContact C-N 3.3Å; E365-A367 PolarHBondContact O-N 3Å; E365-K368 VanDerWaalsContact CD-NZ 3.26Å; E365-K368 PolarHBondContact O-N 3.12Å; E365-K368 IonicContact OE1-NZ 2.76Å; E365-K368 PolarHBondContact OE1-NZ 3.1Å; E365-K368 WeakPolarHBondContact OE2-CD 3.36Å; E365-K368 IonicContact OE2-NZ 3.05Å; E365-K368 PolarHBondContact OE2-NZ 3.04Å
366M90.5Very high81.6Confident1 Ų162.9 Ų62.91%0.00536%0.363CS..Hα-helixtrans-64.1-34.3174.6-79.3173.55600112K189 L197 L199 L331 F351 Y362 V363 K368 L369K189-M366 HydrophobicContact CB-CE 3.8Å; K189-M366 WeakPolarHBondContact CD-O 3.34Å; K189-M366 WeakPolarHBondContact CE-O 3.29Å; L197-M366 HydrophobicContact CB-CE 4.07Å; L197-M366 WeakPolarHBondContact O-CE 3.43Å; L199-M366 HydrophobicContact CB-CE 4.37Å; L199-M366 HydrophobicContact CB-SD 4.04Å; L331-M366 HydrophobicContact CD1-CG 3.97Å; L331-M366 HydrophobicContact CD2-CG 3.63Å; F351-M366 HydrophobicContact CD2-SD 3.85Å; F351-M366 HydrophobicContact CE2-SD 4.09Å; Y362-M366 WeakPolarHBondContact O-CB 3.49Å; Y362-M366 WeakPolarHBondContact O-CG 3.31Å; Y362-M366 PolarHBondContact O-N 3.33Å; V363-M366 PolarHBondContact O-N 2.94Å; M366-K368 VanDerWaalsContact C-N 3.32Å; M366-K368 PolarHBondContact O-N 3.08Å; M366-L369 PolarHBondContact O-N 3.1Å
367A86.9Confident81.4Confident55 Ų5560.5 Ų60.546%0.45534%0.342SS..Hα-helixtrans-57.7-44.6175.900000112K189 V363 E365 L369K189-A367 PolarHBondContact NZ-O 3.06Å; V363-A367 PolarHBondContact O-N 3.11Å; E365-A367 VanDerWaalsContact C-N 3.3Å; E365-A367 PolarHBondContact O-N 3Å; A367-L369 PolarHBondContact O-N 2.8Å; A367-L369 VanDerWaalsContact O-N 3.16Å
368K87.2Confident80.8Confident100 Ų10056.6 Ų56.644%0.43533%0.328SS..G310 helixtrans-66-14-175.6-62.4170.3-164.41770115.2Q364 E365 M366 D370 A371Q364-K368 WeakPolarHBondContact O-CE 3.2Å; Q364-K368 WeakPolarHBondContact O-CG 3.25Å; E365-K368 VanDerWaalsContact CD-NZ 3.26Å; E365-K368 PolarHBondContact O-N 3.12Å; E365-K368 IonicContact OE1-NZ 2.76Å; E365-K368 PolarHBondContact OE1-NZ 3.1Å; E365-K368 WeakPolarHBondContact OE2-CD 3.36Å; E365-K368 IonicContact OE2-NZ 3.05Å; E365-K368 PolarHBondContact OE2-NZ 3.04Å; M366-K368 VanDerWaalsContact C-N 3.32Å; M366-K368 PolarHBondContact O-N 3.08Å; K368-D370 PolarHBondContact O-N 2.95Å; K368-D370 VanDerWaalsContact O-N 3.16Å; K368-A371 WeakPolarHBondContact O-CB 3.5Å; K368-A371 PolarHBondContact O-N 3.21Å; K368-A371 VanDerWaalsContact O-N 3.07Å
369L79.4Confident80.2Confident37 Ų3760.5 Ų60.519%0.19435%0.35CS..G310 helixtrans-66-15.9-173.8-71.8179.3000115.1L191 L197 L331 M366 A367L191-L369 HydrophobicContact CD2-CD1 4.16Å; L197-L369 HydrophobicContact CD1-CD1 3.5Å; L197-L369 VanDerWaalsContact CD1-CD1 3.5Å; L331-L369 HydrophobicContact CB-CD1 4.35Å; L331-L369 HydrophobicContact CB-CD2 4.27Å; L331-L369 HydrophobicContact CD2-CD1 4.05Å; M366-L369 PolarHBondContact O-N 3.1Å; A367-L369 PolarHBondContact O-N 2.8Å; A367-L369 VanDerWaalsContact O-N 3.16Å
370D58.7Low79.4Confident107 Ų10763.5 Ų63.557%0.57237%0.368SS*.G310 helixtrans-99.84.1175.8-57.5-13.8000112.9K189 K368K189-D370 WeakPolarHBondContact CE-OD1 3.36Å; K189-D370 WeakPolarHBondContact CE-OD2 3.45Å; K189-D370 IonicContact NZ-OD1 2.64Å; K189-D370 IonicContact NZ-OD2 3.75Å; K189-D370 PolarHBondContact NZ-OD2 3.1Å; K368-D370 PolarHBondContact O-N 2.95Å; K368-D370 VanDerWaalsContact O-N 3.16Å
371A44.8Very low78.6Confident77 Ų7766.4 Ų66.464%0.63638%0.375SS*.  trans-98.54.8-167.700000115.2K368K368-A371 WeakPolarHBondContact O-CB 3.5Å; K368-A371 PolarHBondContact O-N 3.21Å; K368-A371 VanDerWaalsContact O-N 3.07Å
372N36.5Very low77.3Confident221 Ų22171 Ų71100%1.18240%0.402SS*.  trans-1310-179-63.4-66.3000111.6

Retrieved 372 of 372 residues in 99.5 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).