A0A087YLA3_POEFO Loading...

DnaJ homolog subfamily C member 9

Acts as a dual histone chaperone and heat shock co-chaperone. As a histone chaperone, forms a co-chaperone complex with MCM2 and histone H3-H4 heterodimers; and may thereby assist MCM2 in histone H3-H4 heterodimer recognition and facilitate the assembly of histones into nucleosomes. May also act as a histone co-chaperone together with TONSL. May recruit histone chaperones ASF1A, NASP and SPT2 to histone H3-H4 heterodimers. Also plays a role as co-chaperone of the HSP70 family of molecular chaperone proteins, such as HSPA1A, HSPA1B and HSPA8. As a co-chaperone, may play a role in the recruitment of HSP70-type molecular chaperone machinery to histone H3-H4 substrates, thereby maintaining the histone structural integrity. Exhibits activity to assemble histones onto DNA in vitro.

AlphaFold DB , UniProt , Accession A0A087YLA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.5Low83.3Confident136 Ų13662.4 Ų62.467%0.6728%0.284SS*.  0106.90-66.9-73.1-96.900105.7E5 R6 E9M1-E5 WeakPolarHBondContact CA-OE2 3.31Å; M1-R6 HydrophobicContact CB-CG 4.25Å; M1-R6 VanDerWaalsContact CB-NE 3.26Å; M1-E9 WeakPolarHBondContact CE-OE1 3.47Å; M1-E9 WeakPolarHBondContact CE-OE2 3.33Å
2G79.2Confident83.8Confident12 Ų1269.4 Ų69.412%0.12433%0.326CS..  trans-72.1164.1-172.400000113.3L4 E5 R6 E84G2-L4 VanDerWaalsContact C-N 3.29Å; G2-L4 PolarHBondContact O-N 3.23Å; G2-E5 PolarHBondContact N-OE2 3.22Å; G2-E5 PolarHBondContact O-N 2.94Å; G2-E5 VanDerWaalsContact O-N 3.16Å; G2-R6 WeakPolarHBondContact O-CG 3.35Å; G2-R6 PolarHBondContact O-N 2.89Å; G2-E84 WeakPolarHBondContact CA-OE1 3.2Å; G2-E84 WeakPolarHBondContact CA-OE2 3.4Å
3L81.9Confident84.1Confident10 Ų1065.8 Ų65.85%0.05231%0.311CS..Hα-helixtrans-57-43.1-178.7-178.363.2000111.5R6 C7 L16 V59 K62 V66 V82 E84L3-R6 PolarHBondContact O-N 3.41Å; L3-C7 PolarHBondContact O-N 3.21Å; L3-C7 PolarHBondContact O-SG 3.48Å; L3-L16 HydrophobicContact CD2-CD2 4.49Å; L3-V59 HydrophobicContact CD1-CG1 4.07Å; L3-K62 HydrophobicContact CD1-CB 3.53Å; L3-K62 HydrophobicContact CD1-CD 4.2Å; L3-K62 HydrophobicContact CD2-CB 4.17Å; L3-V66 HydrophobicContact CD2-CG2 4.03Å; L3-V82 HydrophobicContact CD2-CG1 3.91Å; L3-V82 HydrophobicContact CD2-CG2 4.34Å; L3-E84 PolarHBondContact N-OE1 3.04Å
4L85.5Confident84.2Confident36 Ų3664.2 Ų64.219%0.18831%0.311CS..Hα-helixtrans-68.9-34.2179.9-60.2175000112.6G2 R8 S14 L16 Y76 V82G2-L4 VanDerWaalsContact C-N 3.29Å; G2-L4 PolarHBondContact O-N 3.23Å; L4-R8 PolarHBondContact O-N 3.49Å; L4-R8 VanDerWaalsContact O-N 3.07Å; L4-S14 VanDerWaalsContact CD2-O 3.32Å; L4-S14 WeakPolarHBondContact CD2-O 3.4Å; L4-L16 HydrophobicContact CD2-CD2 3.74Å; L4-L16 HydrophobicContact CD2-CG 4.11Å; L4-Y76 HydrophobicContact CD2-CE2 3.93Å; L4-V82 HydrophobicContact CD1-CG2 4.46Å; L4-V82 HydrophobicContact CD2-CG2 4Å; L4-V82 HydrophobicContact CG-CG2 4.17Å
5E86.3Confident84.4Confident104 Ų10463.2 Ų63.249%0.48631%0.307SS..Hα-helixtrans-67.9-44.9174.8-63.3178.4152.300110.4M1 G2 C7 R8 E9M1-E5 WeakPolarHBondContact CA-OE2 3.31Å; G2-E5 PolarHBondContact N-OE2 3.22Å; G2-E5 PolarHBondContact O-N 2.94Å; G2-E5 VanDerWaalsContact O-N 3.16Å; E5-C7 VanDerWaalsContact C-N 3.32Å; E5-C7 PolarHBondContact O-N 3.06Å; E5-R8 WeakPolarHBondContact O-CB 3.06Å; E5-R8 PolarHBondContact O-N 3.2Å; E5-R8 VanDerWaalsContact O-N 3.09Å; E5-E9 WeakPolarHBondContact O-CG 3.42Å; E5-E9 PolarHBondContact O-N 2.93Å
6R85.8Confident84.8Confident75 Ų7559.3 Ų59.328%0.28329%0.288SS..Hα-helixtrans-63.3-37.4175.5-67-55.4-163156.810.3112.6M1 G2 L3 R8 E9 L10 E55 V59M1-R6 HydrophobicContact CB-CG 4.25Å; M1-R6 VanDerWaalsContact CB-NE 3.26Å; G2-R6 WeakPolarHBondContact O-CG 3.35Å; G2-R6 PolarHBondContact O-N 2.89Å; L3-R6 PolarHBondContact O-N 3.41Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3Å; R6-E9 WeakPolarHBondContact CD-OE2 3.27Å; R6-E9 IonicContact NH1-OE2 3.86Å; R6-E9 PolarHBondContact NH1-OE2 3.1Å; R6-E9 PolarHBondContact O-N 3.24Å; R6-L10 WeakPolarHBondContact O-CB 3.16Å; R6-L10 WeakPolarHBondContact O-CG 3.37Å; R6-L10 PolarHBondContact O-N 3.35Å; R6-E55 IonicContact CZ-OE1 2.67Å; R6-E55 IonicContact NE-OE1 3.69Å; R6-E55 IonicContact NH1-OE1 3.48Å; R6-E55 PolarHBondContact NH1-OE1 3.49Å; R6-E55 IonicContact NH2-OE1 3.42Å; R6-V59 HydrophobicContact CB-CG1 4.33Å; R6-V59 HydrophobicContact CB-CG2 3.83Å
7C87.3Confident85.1Confident0 Ų056.1 Ų56.10%027%0.273CS..Hα-helixtrans-61.1-42.4172-68.50000111.2L3 E5 E9 L10 F11 N12 T13 V19 V59L3-C7 PolarHBondContact O-N 3.21Å; L3-C7 PolarHBondContact O-SG 3.48Å; E5-C7 VanDerWaalsContact C-N 3.32Å; E5-C7 PolarHBondContact O-N 3.06Å; C7-E9 PolarHBondContact O-N 2.93Å; C7-L10 PolarHBondContact O-N 2.56Å; C7-F11 WeakPolarHBondContact O-CA 3.38Å; C7-F11 WeakPolarHBondContact O-CB 3.27Å; C7-F11 PolarHBondContact O-N 2.78Å; C7-N12 PolarHBondContact O-N 2.91Å; C7-T13 CarbonylContact C-O 3.54Å; C7-T13 VanDerWaalsContact CB-O 3.29Å; C7-T13 WeakPolarHBondContact CB-O 3.45Å; C7-T13 VanDerWaalsContact O-O 3.08Å; C7-V19 HydrophobicContact CB-CG2 4.23Å; C7-V59 VanDerWaalsContact SG-CG1 3.55Å
8R88.8Confident85.4Confident155 Ų15559.2 Ų59.259%0.58529%0.287SS*.Hα-helixtrans-63.9-41177.4-174.7-178.7-66.2168.91.6112.2L4 E5 R6 N12 T13 S14L4-R8 PolarHBondContact O-N 3.49Å; L4-R8 VanDerWaalsContact O-N 3.07Å; E5-R8 WeakPolarHBondContact O-CB 3.06Å; E5-R8 PolarHBondContact O-N 3.2Å; E5-R8 VanDerWaalsContact O-N 3.09Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3Å; R8-N12 WeakPolarHBondContact O-CA 3.31Å; R8-N12 PolarHBondContact O-N 3.24Å; R8-N12 VanDerWaalsContact O-N 3.16Å; R8-T13 WeakPolarHBondContact CA-O 3.5Å; R8-T13 PolarHBondContact N-O 2.89Å; R8-T13 VanDerWaalsContact N-O 3.12Å; R8-S14 PolarHBondContact NH2-OG 3.45Å
9E89.1Confident85.5Confident99 Ų9956.7 Ų56.746%0.46328%0.275SS..Hα-helixtrans-68.8-41.7179-70.8-179.9161.200113M1 E5 R6 C7M1-E9 WeakPolarHBondContact CE-OE1 3.47Å; M1-E9 WeakPolarHBondContact CE-OE2 3.33Å; E5-E9 WeakPolarHBondContact O-CG 3.42Å; E5-E9 PolarHBondContact O-N 2.93Å; R6-E9 WeakPolarHBondContact CD-OE2 3.27Å; R6-E9 IonicContact NH1-OE2 3.86Å; R6-E9 PolarHBondContact NH1-OE2 3.1Å; R6-E9 PolarHBondContact O-N 3.24Å; C7-E9 PolarHBondContact O-N 2.93Å
10L87.1Confident85.5Confident13 Ų1354.1 Ų54.17%0.06826%0.263CS..Hα-helixtrans-94.7-29.3-170.1-63.8174.7000113.9R6 C7 Q52 E55 K56 V59R6-L10 WeakPolarHBondContact O-CB 3.16Å; R6-L10 WeakPolarHBondContact O-CG 3.37Å; R6-L10 PolarHBondContact O-N 3.35Å; C7-L10 PolarHBondContact O-N 2.56Å; L10-Q52 HydrophobicContact CD2-CB 4.24Å; L10-E55 HydrophobicContact CD1-CB 4.23Å; L10-E55 HydrophobicContact CD1-CG 3.87Å; L10-K56 HydrophobicContact CB-CG 3.9Å; L10-K56 HydrophobicContact CD1-CG 4.29Å; L10-K56 HydrophobicContact CD2-CG 4.25Å; L10-K56 HydrophobicContact CG-CG 4.38Å; L10-K56 WeakPolarHBondContact O-CE 3.49Å; L10-V59 HydrophobicContact CD1-CB 4.13Å; L10-V59 HydrophobicContact CD1-CG2 3.72Å
11F84.9Confident85.5Confident46 Ų4654.5 Ų54.520%0.20228%0.281CS..Hα-helixtrans-122.35.1-175-62.3-83.2000113.2C7 T13 V19 V42 K56 V59 L60C7-F11 WeakPolarHBondContact O-CA 3.38Å; C7-F11 WeakPolarHBondContact O-CB 3.27Å; C7-F11 PolarHBondContact O-N 2.78Å; F11-T13 HydrophobicContact CB-CG2 4.45Å; F11-T13 PolarHBondContact O-N 3.45Å; F11-T13 VanDerWaalsContact O-N 3.08Å; F11-V19 HydrophobicContact CB-CG1 4.24Å; F11-V19 HydrophobicContact CB-CG2 4.04Å; F11-V19 HydrophobicContact CD1-CG1 3.84Å; F11-V19 HydrophobicContact CD2-CG1 3.87Å; F11-V19 HydrophobicContact CE1-CG1 4.09Å; F11-V19 HydrophobicContact CE2-CG1 4.13Å; F11-V19 HydrophobicContact CG-CG1 3.72Å; F11-V19 HydrophobicContact CG-CG2 4.33Å; F11-V19 HydrophobicContact CZ-CG1 4.23Å; F11-V42 HydrophobicContact CE1-CG1 4.18Å; F11-V42 HydrophobicContact CZ-CG1 4.49Å; F11-K56 HydrophobicContact CE1-CG 4.46Å; F11-K56 HydrophobicContact CE2-CB 4.3Å; F11-K56 HydrophobicContact CE2-CG 4.27Å; F11-K56 HydrophobicContact CZ-CB 3.8Å; F11-K56 HydrophobicContact CZ-CG 3.99Å; F11-V59 HydrophobicContact CE2-CB 4.46Å; F11-V59 HydrophobicContact CE2-CG1 4.14Å; F11-L60 HydrophobicContact CZ-CB 4.4Å
12N88.7Confident87Confident147 Ų14748.8 Ų48.879%0.78625%0.253SS*.SBendtrans58.316.3-179.1-62.9-20.5000115C7 R8C7-N12 PolarHBondContact O-N 2.91Å; R8-N12 WeakPolarHBondContact O-CA 3.31Å; R8-N12 PolarHBondContact O-N 3.24Å; R8-N12 VanDerWaalsContact O-N 3.16Å
13T87.8Confident87.4Confident23 Ų2354.2 Ų54.214%0.14128%0.28CS..  trans-142.4143175.4-177.10000110.6C7 R8 F11 N15 E18 V19C7-T13 CarbonylContact C-O 3.54Å; C7-T13 VanDerWaalsContact CB-O 3.29Å; C7-T13 WeakPolarHBondContact CB-O 3.45Å; C7-T13 VanDerWaalsContact O-O 3.08Å; R8-T13 WeakPolarHBondContact CA-O 3.5Å; R8-T13 PolarHBondContact N-O 2.89Å; R8-T13 VanDerWaalsContact N-O 3.12Å; F11-T13 HydrophobicContact CB-CG2 4.45Å; F11-T13 PolarHBondContact O-N 3.45Å; F11-T13 VanDerWaalsContact O-N 3.08Å; T13-N15 PolarHBondContact OG1-N 3.44Å; T13-N15 VanDerWaalsContact OG1-N 3.11Å; T13-E18 HydrophobicContact CG2-CB 3.89Å; T13-E18 PolarHBondContact OG1-OE2 3.31Å; T13-V19 HydrophobicContact CG2-CB 4.5Å; T13-V19 HydrophobicContact CG2-CG2 3.52Å
14S85.6Confident87.6Confident43 Ų4359 Ų5930%0.30130%0.3SS..SBendtrans-92.90.817148.50000112.6L4 R8L4-S14 VanDerWaalsContact CD2-O 3.32Å; L4-S14 WeakPolarHBondContact CD2-O 3.4Å; R8-S14 PolarHBondContact NH2-OG 3.45Å
15N88.3Confident87.6Confident49 Ų4966.1 Ų66.126%0.26233%0.332SS..  trans-93116.4179.6-176.3-8.6000110.7T13 Y17 E18 V19 Y76T13-N15 PolarHBondContact OG1-N 3.44Å; T13-N15 VanDerWaalsContact OG1-N 3.11Å; N15-Y17 PolarHBondContact O-N 3.4Å; N15-Y17 PolarHBondContact OD1-N 2.96Å; N15-Y17 VanDerWaalsContact OD1-N 3.12Å; N15-E18 HydrophobicContact CB-CB 4.05Å; N15-E18 HydrophobicContact CB-CG 3.93Å; N15-E18 PolarHBondContact ND2-OE1 3.33Å; N15-E18 PolarHBondContact O-N 3.24Å; N15-E18 VanDerWaalsContact O-N 3.1Å; N15-V19 PolarHBondContact O-N 3.5Å; N15-Y76 PolarHBondContact OD1-OH 2.95Å
16L89.5Confident87.5Confident0 Ų061.7 Ų61.70%031%0.314CS..Hα-helixtrans-57.8-35.1-177.5-58.1-174.2000113.3L3 L4 L20 L63 V66 L67 Y76 V82L3-L16 HydrophobicContact CD2-CD2 4.49Å; L4-L16 HydrophobicContact CD2-CD2 3.74Å; L4-L16 HydrophobicContact CD2-CG 4.11Å; L16-L20 PolarHBondContact O-N 3.16Å; L16-L63 HydrophobicContact CB-CD1 3.87Å; L16-L63 HydrophobicContact CB-CD2 4.29Å; L16-L63 HydrophobicContact CB-CG 3.77Å; L16-L63 HydrophobicContact CD1-CG 4.4Å; L16-L63 HydrophobicContact CD2-CB 4.22Å; L16-L63 HydrophobicContact CD2-CD1 3.55Å; L16-L63 HydrophobicContact CD2-CG 3.65Å; L16-L63 HydrophobicContact CG-CD1 4.24Å; L16-L63 HydrophobicContact CG-CG 4.09Å; L16-V66 HydrophobicContact CD1-CB 4.16Å; L16-V66 HydrophobicContact CD1-CG1 3.85Å; L16-L67 HydrophobicContact CB-CD1 3.88Å; L16-L67 HydrophobicContact CB-CD2 4.13Å; L16-L67 HydrophobicContact CB-CG 4.1Å; L16-L67 HydrophobicContact CD1-CD2 4.2Å; L16-L67 HydrophobicContact CD1-CG 4.31Å; L16-Y76 HydrophobicContact CB-CE1 3.98Å; L16-Y76 HydrophobicContact CD1-CD1 4.15Å; L16-Y76 HydrophobicContact CD1-CD2 3.82Å; L16-Y76 HydrophobicContact CD1-CE1 4.03Å; L16-Y76 HydrophobicContact CD1-CE2 3.7Å; L16-Y76 HydrophobicContact CD1-CG 4.05Å; L16-Y76 HydrophobicContact CG-CD2 4.35Å; L16-Y76 HydrophobicContact CG-CE1 4.03Å; L16-Y76 HydrophobicContact CG-CE2 3.7Å; L16-Y76 PolarHBondContact N-OH 2.99Å; L16-V82 HydrophobicContact CD1-CG2 3.99Å
17Y90.9Very high87.4Confident6 Ų660.8 Ų60.82%0.02432%0.319CS..Hα-helixtrans-71-36.2179-63.8-73.4000112.4N15 L20 G21 V22 K24 I31 L67 R73 Y76 D77N15-Y17 PolarHBondContact O-N 3.4Å; N15-Y17 PolarHBondContact OD1-N 2.96Å; N15-Y17 VanDerWaalsContact OD1-N 3.12Å; Y17-L20 CarbonylContact O-C 2.97Å; Y17-L20 PolarHBondContact O-N 2.88Å; Y17-G21 PolarHBondContact O-N 2.95Å; Y17-V22 CarbonylContact C-O 3.5Å; Y17-V22 WeakPolarHBondContact CB-O 3.5Å; Y17-V22 HydrophobicContact CD1-CG2 3.96Å; Y17-V22 PolarHBondContact O-N 3.04Å; Y17-K24 HydrophobicContact CD2-CB 4.26Å; Y17-K24 HydrophobicContact CD2-CG 4.35Å; Y17-K24 HydrophobicContact CE2-CB 4.16Å; Y17-K24 HydrophobicContact CE2-CG 3.79Å; Y17-I31 HydrophobicContact CE1-CD1 4.38Å; Y17-L67 HydrophobicContact CD1-CD1 4.02Å; Y17-L67 HydrophobicContact CD1-CD2 4.29Å; Y17-L67 HydrophobicContact CE1-CD1 4.17Å; Y17-L67 HydrophobicContact CE1-CD2 3.73Å; Y17-L67 HydrophobicContact CE2-CD2 4.19Å; Y17-R73 WeakPolarHBondContact OH-CG 3.19Å; Y17-R73 PolarHBondContact OH-NE 3.41Å; Y17-Y76 AromaticContact CD2-CE1 3.93Å; Y17-Y76 HydrophobicContact CD2-CE1 3.93Å; Y17-Y76 AromaticContact CE2-CD1 3.98Å; Y17-Y76 HydrophobicContact CE2-CD1 3.98Å; Y17-Y76 AromaticContact CE2-CE1 3.61Å; Y17-Y76 HydrophobicContact CE2-CE1 3.61Å; Y17-D77 VanDerWaalsContact CE2-OD1 3.23Å; Y17-D77 WeakPolarHBondContact CE2-OD1 2.85Å; Y17-D77 VanDerWaalsContact OH-CG 3.22Å; Y17-D77 PolarHBondContact OH-OD1 3.03Å; Y17-D77 PolarHBondContact OH-OD2 3.2Å; Y17-D77 VanDerWaalsContact OH-OD2 3.11Å
18E89.4Confident87Confident112 Ų11265.7 Ų65.752%0.52334%0.341SS..Hα-helixtrans-69.2-36.2177.7-72.7170-152.800111.8T13 N15 L20 G21T13-E18 HydrophobicContact CG2-CB 3.89Å; T13-E18 PolarHBondContact OG1-OE2 3.31Å; N15-E18 HydrophobicContact CB-CB 4.05Å; N15-E18 HydrophobicContact CB-CG 3.93Å; N15-E18 PolarHBondContact ND2-OE1 3.33Å; N15-E18 PolarHBondContact O-N 3.24Å; N15-E18 VanDerWaalsContact O-N 3.1Å; E18-L20 PolarHBondContact O-N 3.35Å; E18-G21 PolarHBondContact O-N 2.91Å
19V88.3Confident86.3Confident12 Ų1261.5 Ų61.57%0.07334%0.34CS..Hα-helixtrans-58.2-38.3172.9179.50000110.9C7 F11 T13 N15 G21 L60 L63C7-V19 HydrophobicContact CB-CG2 4.23Å; F11-V19 HydrophobicContact CB-CG1 4.24Å; F11-V19 HydrophobicContact CB-CG2 4.04Å; F11-V19 HydrophobicContact CD1-CG1 3.84Å; F11-V19 HydrophobicContact CD2-CG1 3.87Å; F11-V19 HydrophobicContact CE1-CG1 4.09Å; F11-V19 HydrophobicContact CE2-CG1 4.13Å; F11-V19 HydrophobicContact CG-CG1 3.72Å; F11-V19 HydrophobicContact CG-CG2 4.33Å; F11-V19 HydrophobicContact CZ-CG1 4.23Å; T13-V19 HydrophobicContact CG2-CB 4.5Å; T13-V19 HydrophobicContact CG2-CG2 3.52Å; N15-V19 PolarHBondContact O-N 3.5Å; V19-G21 VanDerWaalsContact C-N 3.35Å; V19-L60 HydrophobicContact CG1-CD1 3.99Å; V19-L63 HydrophobicContact CB-CD1 3.54Å; V19-L63 HydrophobicContact CG1-CD1 3.72Å; V19-L63 HydrophobicContact CG2-CD1 3.77Å
20L85.6Confident85.7Confident4 Ų460.1 Ų60.12%0.02134%0.336CS..Hα-helixtrans-81-12.7174.6-66.7-174.1000113.6L16 Y17 E18 V22 I31 N34 Y35 L60 L63 L67L16-L20 PolarHBondContact O-N 3.16Å; Y17-L20 CarbonylContact O-C 2.97Å; Y17-L20 PolarHBondContact O-N 2.88Å; E18-L20 PolarHBondContact O-N 3.35Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 HydrophobicContact CB-CG1 4.39Å; L20-V22 HydrophobicContact CB-CG2 3.95Å; L20-I31 HydrophobicContact CD1-CG2 3.81Å; L20-N34 WeakPolarHBondContact O-CB 3.38Å; L20-Y35 HydrophobicContact CD2-CD2 4.23Å; L20-L60 HydrophobicContact CD2-CD1 3.75Å; L20-L63 HydrophobicContact CD1-CD2 3.74Å; L20-L63 HydrophobicContact CD2-CD2 3.98Å; L20-L63 HydrophobicContact CG-CD2 3.61Å; L20-L67 HydrophobicContact CD1-CD1 3.64Å; L20-L67 HydrophobicContact CG-CD1 4.46Å
21G86.1Confident85.5Confident62 Ų6259.5 Ų59.564%0.63933%0.333SS*.THydrogen-bonded Turntrans66.933.3-173.800000113.4Y17 E18 V19Y17-G21 PolarHBondContact O-N 2.95Å; E18-G21 PolarHBondContact O-N 2.91Å; V19-G21 VanDerWaalsContact C-N 3.35Å
22V90.3Very high85.2Confident16 Ų1663 Ų6310%0.09735%0.345CS..  trans-120.1162.7177.8-58.30000111.1Y17 L20 A26 I31 N34Y17-V22 CarbonylContact C-O 3.5Å; Y17-V22 WeakPolarHBondContact CB-O 3.5Å; Y17-V22 HydrophobicContact CD1-CG2 3.96Å; Y17-V22 PolarHBondContact O-N 3.04Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 HydrophobicContact CB-CG1 4.39Å; L20-V22 HydrophobicContact CB-CG2 3.95Å; V22-A26 HydrophobicContact CB-CB 3.88Å; V22-A26 HydrophobicContact CG2-CB 4.07Å; V22-I31 HydrophobicContact CG2-CG1 4.41Å; V22-N34 HydrophobicContact CG1-CB 3.49Å; V22-N34 VanDerWaalsContact CG1-CB 3.49Å; V22-N34 VanDerWaalsContact CG1-CG 3.47Å; V22-N34 WeakPolarHBondContact CG1-ND2 3.47Å
23N89Confident84.7Confident127 Ų12762 Ų6268%0.67933%0.334SS*.  trans-83.7159.3173.4-71.7-25000111.2E25 A26N23-E25 PolarHBondContact O-N 2.9Å; N23-A26 WeakPolarHBondContact O-CB 3.23Å; N23-A26 PolarHBondContact O-N 2.94Å
24K86.6Confident84.3Confident110 Ų11062.4 Ų62.448%0.47834%0.335SS..THydrogen-bonded Turntrans-55.7-32.2174.4-173.5176.7-174178.40112.8Y17 A26 R73 D77Y17-K24 HydrophobicContact CD2-CB 4.26Å; Y17-K24 HydrophobicContact CD2-CG 4.35Å; Y17-K24 HydrophobicContact CE2-CB 4.16Å; Y17-K24 HydrophobicContact CE2-CG 3.79Å; K24-A26 PolarHBondContact O-N 3.13Å; K24-R73 PolarHBondContact O-NH2 3.4Å; K24-D77 WeakPolarHBondContact CE-OD1 3.42Å; K24-D77 PolarHBondContact NZ-O 3.43Å
25E85.5Confident84.2Confident185 Ų18560.4 Ų60.486%0.86432%0.32SS*.THydrogen-bonded Turntrans-81.24.1178.8-63.4167.2-176.300113.7N23N23-E25 PolarHBondContact O-N 2.9Å
26A83.5Confident83.5Confident12 Ų1261.7 Ų61.710%0.09932%0.322CS..  trans-61.8139.6-177.800000112.2V22 N23 K24 D30 I31 R73V22-A26 HydrophobicContact CB-CB 3.88Å; V22-A26 HydrophobicContact CG2-CB 4.07Å; N23-A26 WeakPolarHBondContact O-CB 3.23Å; N23-A26 PolarHBondContact O-N 2.94Å; K24-A26 PolarHBondContact O-N 3.13Å; A26-D30 HydrophobicContact CB-CB 4.06Å; A26-I31 HydrophobicContact CB-CG1 4.13Å; A26-R73 PolarHBondContact O-NH1 3.28Å; A26-R73 PolarHBondContact O-NH2 2.89Å
27S83.1Confident82.9Confident55 Ų5566.6 Ų66.639%0.38534%0.343SS..  trans-67.9159.7174.272.40000111.1A29 D30 I31S27-A29 PolarHBondContact O-N 3.05Å; S27-D30 WeakPolarHBondContact CB-OD2 3.38Å; S27-D30 PolarHBondContact N-OD2 2.86Å; S27-D30 PolarHBondContact O-N 3.49Å; S27-D30 PolarHBondContact OG-N 3.25Å; S27-D30 VanDerWaalsContact OG-N 3.16Å; S27-D30 PolarHBondContact OG-OD2 3.26Å; S27-I31 WeakPolarHBondContact O-CG1 3.43Å; S27-I31 PolarHBondContact O-N 3.31Å
28E78.5Confident82.5Confident103 Ų10367.3 Ų67.348%0.48135%0.348SS..Hα-helixtrans-55-36.7173-71.3172.2-159.600112I31 R32 K70E28-I31 PolarHBondContact O-N 3.28Å; E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 PolarHBondContact O-N 3.07Å; E28-K70 WeakPolarHBondContact OE1-CE 3.34Å; E28-K70 IonicContact OE1-NZ 2.96Å
29A74.3Confident82Confident68 Ų6862 Ų6256%0.56232%0.323SS*.Hα-helixtrans-63.7-40.2175.600000112.1S27 K33S27-A29 PolarHBondContact O-N 3.05Å; A29-K33 VanDerWaalsContact O-CB 3.22Å; A29-K33 WeakPolarHBondContact O-CB 3.48Å; A29-K33 PolarHBondContact O-N 3.18Å
30D77.3Confident81.4Confident69 Ų6963.4 Ų63.437%0.36933%0.33SS..Hα-helixtrans-70.3-39177.3-65.4-48.4000112.2A26 S27 K33 N34A26-D30 HydrophobicContact CB-CB 4.06Å; S27-D30 WeakPolarHBondContact CB-OD2 3.38Å; S27-D30 PolarHBondContact N-OD2 2.86Å; S27-D30 PolarHBondContact O-N 3.49Å; S27-D30 PolarHBondContact OG-N 3.25Å; S27-D30 VanDerWaalsContact OG-N 3.16Å; S27-D30 PolarHBondContact OG-OD2 3.26Å; D30-K33 PolarHBondContact O-N 3.45Å; D30-N34 WeakPolarHBondContact O-CB 3.44Å; D30-N34 PolarHBondContact O-N 3.05Å; D30-N34 PolarHBondContact O-ND2 3.4Å
31I82.7Confident80.9Confident1 Ų170.7 Ų70.71%0.00536%0.362CS..Hα-helixtrans-61.6-49.4174.4-67.6172.2000109.7Y17 L20 V22 A26 S27 E28 K33 N34 Y35 Y64 L67 R73Y17-I31 HydrophobicContact CE1-CD1 4.38Å; L20-I31 HydrophobicContact CD1-CG2 3.81Å; V22-I31 HydrophobicContact CG2-CG1 4.41Å; A26-I31 HydrophobicContact CB-CG1 4.13Å; S27-I31 WeakPolarHBondContact O-CG1 3.43Å; S27-I31 PolarHBondContact O-N 3.31Å; E28-I31 PolarHBondContact O-N 3.28Å; I31-K33 PolarHBondContact O-N 3.43Å; I31-N34 PolarHBondContact O-N 3.23Å; I31-Y35 WeakPolarHBondContact O-CB 3.47Å; I31-Y35 PolarHBondContact O-N 3.49Å; I31-Y64 HydrophobicContact CG2-CD2 4Å; I31-Y64 HydrophobicContact CG2-CE2 3.96Å; I31-L67 HydrophobicContact CD1-CB 4.48Å; I31-L67 HydrophobicContact CG2-CB 4.07Å; I31-R73 VanDerWaalsContact CD1-CZ 3.5Å
32R78.5Confident80.6Confident120 Ų12068.4 Ų68.445%0.45334%0.336SS..Hα-helixtrans-60.3-44.6177.3-174.2178.3179.5178.51.8112.2E28 Y36 Y64 L102E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 PolarHBondContact O-N 3.07Å; R32-Y36 WeakPolarHBondContact O-CB 3.36Å; R32-Y36 PolarHBondContact O-N 3.21Å; R32-Y36 VanDerWaalsContact O-N 3.08Å; R32-Y64 HydrophobicContact CB-CE2 4.4Å; R32-L102 HydrophobicContact CG-CD2 4.31Å
33K77.4Confident79.9Confident126 Ų12670.4 Ų70.455%0.54834%0.344SS..Hα-helixtrans-64-42.4-179.8-176.3-178.6-178.4178.60112.3A29 D30 I31 K37A29-K33 VanDerWaalsContact O-CB 3.22Å; A29-K33 WeakPolarHBondContact O-CB 3.48Å; A29-K33 PolarHBondContact O-N 3.18Å; D30-K33 PolarHBondContact O-N 3.45Å; I31-K33 PolarHBondContact O-N 3.43Å; K33-K37 PolarHBondContact O-N 3.28Å
34N81Confident79.2Confident31 Ų3167 Ų6717%0.16633%0.328CS..Hα-helixtrans-80.9-33.9-178.4-71.8-68.7000112.4L20 V22 D30 I31 Y36 K37 V38L20-N34 WeakPolarHBondContact O-CB 3.38Å; V22-N34 HydrophobicContact CG1-CB 3.49Å; V22-N34 VanDerWaalsContact CG1-CB 3.49Å; V22-N34 VanDerWaalsContact CG1-CG 3.47Å; V22-N34 WeakPolarHBondContact CG1-ND2 3.47Å; D30-N34 WeakPolarHBondContact O-CB 3.44Å; D30-N34 PolarHBondContact O-N 3.05Å; D30-N34 PolarHBondContact O-ND2 3.4Å; I31-N34 PolarHBondContact O-N 3.23Å; N34-Y36 VanDerWaalsContact C-N 3.26Å; N34-Y36 PolarHBondContact O-N 2.98Å; N34-K37 WeakPolarHBondContact O-CB 3.29Å; N34-K37 PolarHBondContact O-N 3.41Å; N34-K37 VanDerWaalsContact O-N 3.09Å; N34-V38 WeakPolarHBondContact O-CG2 3.41Å; N34-V38 PolarHBondContact O-N 3.16Å
35Y81.9Confident78.6Confident0 Ų068 Ų680%034%0.339CS..Hα-helixtrans-50.4-49.8165.8170.9-100.5000111.3L20 I31 K37 V38 S39 L60 Y64 W95 Y98L20-Y35 HydrophobicContact CD2-CD2 4.23Å; I31-Y35 WeakPolarHBondContact O-CB 3.47Å; I31-Y35 PolarHBondContact O-N 3.49Å; Y35-K37 VanDerWaalsContact C-N 3.32Å; Y35-K37 PolarHBondContact O-N 3.01Å; Y35-V38 PolarHBondContact O-N 3.45Å; Y35-S39 VanDerWaalsContact O-CB 3.32Å; Y35-S39 WeakPolarHBondContact O-CB 3.42Å; Y35-S39 PolarHBondContact O-N 3.18Å; Y35-S39 PolarHBondContact O-OG 3.5Å; Y35-S39 VanDerWaalsContact O-OG 3.05Å; Y35-L60 HydrophobicContact CD2-CD1 4.43Å; Y35-L60 HydrophobicContact CD2-CD2 4.23Å; Y35-L60 HydrophobicContact CD2-CG 3.93Å; Y35-L60 HydrophobicContact CE2-CD2 4.02Å; Y35-L60 HydrophobicContact CE2-CG 3.74Å; Y35-Y64 HydrophobicContact CD1-CD1 4.42Å; Y35-Y64 HydrophobicContact CD1-CD2 4.05Å; Y35-Y64 HydrophobicContact CD1-CE2 4.31Å; Y35-Y64 HydrophobicContact CD1-CG 4.11Å; Y35-Y64 AromaticContact CD2-CD2 3.82Å; Y35-Y64 HydrophobicContact CD2-CD2 3.82Å; Y35-Y64 AromaticContact CD2-CG 3.65Å; Y35-Y64 HydrophobicContact CD2-CG 3.65Å; Y35-Y64 HydrophobicContact CE1-CD1 4.44Å; Y35-Y64 HydrophobicContact CE1-CG 4.41Å; Y35-Y64 VanDerWaalsContact CE2-CB 3.49Å; Y35-Y64 HydrophobicContact CE2-CD1 4.48Å; Y35-Y64 AromaticContact CE2-CG 3.93Å; Y35-Y64 HydrophobicContact CE2-CG 3.93Å; Y35-Y64 HydrophobicContact CG-CD1 4.47Å; Y35-Y64 AromaticContact CG-CD2 3.52Å; Y35-Y64 HydrophobicContact CG-CD2 3.52Å; Y35-Y64 HydrophobicContact CG-CE2 4.12Å; Y35-Y64 AromaticContact CG-CG 3.72Å; Y35-Y64 HydrophobicContact CG-CG 3.72Å; Y35-W95 WeakPolarHBondContact OH-CZ3 3.28Å; Y35-Y98 AromaticContact CE1-CE1 3.96Å; Y35-Y98 HydrophobicContact CE1-CE1 3.96Å
36Y73.8Confident77.6Confident76 Ų7667.7 Ų67.730%0.29833%0.33SS..Hα-helixtrans-57.8-41.4177.1176.4-96.9000113.4R32 N34 S39 L40 W99 F103R32-Y36 WeakPolarHBondContact O-CB 3.36Å; R32-Y36 PolarHBondContact O-N 3.21Å; R32-Y36 VanDerWaalsContact O-N 3.08Å; N34-Y36 VanDerWaalsContact C-N 3.26Å; N34-Y36 PolarHBondContact O-N 2.98Å; Y36-S39 WeakPolarHBondContact CA-OG 3.3Å; Y36-S39 PolarHBondContact O-OG 3.09Å; Y36-L40 HydrophobicContact CD1-CD1 4.15Å; Y36-L40 HydrophobicContact CE1-CD1 3.52Å; Y36-L40 HydrophobicContact CE1-CG 4.4Å; Y36-L40 HydrophobicContact CE2-CD1 4.38Å; Y36-L40 WeakPolarHBondContact O-CG 3.36Å; Y36-L40 PolarHBondContact O-N 3.34Å; Y36-W99 AromaticContact CD2-CZ3 3.82Å; Y36-W99 HydrophobicContact CD2-CZ3 3.82Å; Y36-W99 HydrophobicContact CE2-CE3 4.42Å; Y36-W99 AromaticContact CE2-CZ3 3.78Å; Y36-W99 HydrophobicContact CE2-CZ3 3.78Å; Y36-F103 HydrophobicContact CE2-CD1 4.39Å; Y36-F103 AromaticContact CE2-CE1 3.64Å; Y36-F103 HydrophobicContact CE2-CE1 3.64Å; Y36-F103 HydrophobicContact CE2-CE2 4.18Å; Y36-F103 AromaticContact CE2-CZ 3.47Å; Y36-F103 HydrophobicContact CE2-CZ 3.47Å; Y36-F103 VanDerWaalsContact CE2-CZ 3.47Å; Y36-F103 AromaticContact CZ-CE1 3.69Å; Y36-F103 AromaticContact CZ-CZ 3.87Å; Y36-F103 WeakPolarHBondContact OH-CE1 3.44Å; Y36-F103 WeakPolarHBondContact OH-CZ 2.89Å
37K77.9Confident76.9Confident103 Ų10368.1 Ų68.145%0.44833%0.334SS..Hα-helixtrans-66-41.2177.7-71176.2-178.9175.80112.4K33 N34 Y35 K41K33-K37 PolarHBondContact O-N 3.28Å; N34-K37 WeakPolarHBondContact O-CB 3.29Å; N34-K37 PolarHBondContact O-N 3.41Å; N34-K37 VanDerWaalsContact O-N 3.09Å; Y35-K37 VanDerWaalsContact C-N 3.32Å; Y35-K37 PolarHBondContact O-N 3.01Å; K37-K41 WeakPolarHBondContact O-CG 3.31Å
38V82.4Confident76.3Confident21 Ų2170.2 Ų70.213%0.12735%0.346CS..Hα-helixtrans-74.3-38.7-178.1-179.40000110.2N34 Y35 L40 K41 V42 L60N34-V38 WeakPolarHBondContact O-CG2 3.41Å; N34-V38 PolarHBondContact O-N 3.16Å; Y35-V38 PolarHBondContact O-N 3.45Å; V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 3.03Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3.09Å; V38-V42 PolarHBondContact O-N 3.42Å; V38-V42 VanDerWaalsContact O-N 3.14Å; V38-L60 HydrophobicContact CB-CD1 4.2Å; V38-L60 HydrophobicContact CB-CD2 4.1Å; V38-L60 HydrophobicContact CG1-CD1 3.69Å; V38-L60 HydrophobicContact CG1-CD2 3.81Å; V38-L60 HydrophobicContact CG1-CG 4.41Å
39S77.7Confident76.1Confident0 Ų072.8 Ų72.80%036%0.363CS..Hα-helixtrans-64.6-35.1-18063.10000112.5Y35 Y36 K41 V42 H43 L60 W99Y35-S39 VanDerWaalsContact O-CB 3.32Å; Y35-S39 WeakPolarHBondContact O-CB 3.42Å; Y35-S39 PolarHBondContact O-N 3.18Å; Y35-S39 PolarHBondContact O-OG 3.5Å; Y35-S39 VanDerWaalsContact O-OG 3.05Å; Y36-S39 WeakPolarHBondContact CA-OG 3.3Å; Y36-S39 PolarHBondContact O-OG 3.09Å; S39-K41 VanDerWaalsContact C-N 3.27Å; S39-K41 PolarHBondContact O-N 3.11Å; S39-V42 PolarHBondContact O-N 2.92Å; S39-H43 WeakPolarHBondContact O-CB 3.48Å; S39-H43 PolarHBondContact O-N 2.93Å; S39-L60 VanDerWaalsContact CA-CD2 3.43Å; S39-W99 WeakPolarHBondContact OG-CH2 3.46Å; S39-W99 WeakPolarHBondContact OG-CZ2 3.43Å
40L76Confident76.3Confident42 Ų4271.8 Ų71.822%0.2235%0.348CS..Hα-helixtrans-62.9-31.3171.3-73.7175.8000113.6Y36 V38 R46 W99Y36-L40 HydrophobicContact CD1-CD1 4.15Å; Y36-L40 HydrophobicContact CE1-CD1 3.52Å; Y36-L40 HydrophobicContact CE1-CG 4.4Å; Y36-L40 HydrophobicContact CE2-CD1 4.38Å; Y36-L40 WeakPolarHBondContact O-CG 3.36Å; Y36-L40 PolarHBondContact O-N 3.34Å; V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 3.03Å; L40-R46 WeakPolarHBondContact O-CD 3.25Å; L40-W99 HydrophobicContact CD2-CZ3 4.47Å
41K76.7Confident76.5Confident158 Ų15874.5 Ų74.569%0.68737%0.369SS*.Hα-helixtrans-77.6-35.9180-66.6176.3179.9-1760112.3K37 V38 S39K37-K41 WeakPolarHBondContact O-CG 3.31Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3.09Å; S39-K41 VanDerWaalsContact C-N 3.27Å; S39-K41 PolarHBondContact O-N 3.11Å
42V77.8Confident76.5Confident14 Ų1478.5 Ų78.59%0.08539%0.388CS..SBendtrans-98.78.8-178.3-54.10000112.8F11 V38 S39 K56 F57 L60F11-V42 HydrophobicContact CE1-CG1 4.18Å; F11-V42 HydrophobicContact CZ-CG1 4.49Å; V38-V42 PolarHBondContact O-N 3.42Å; V38-V42 VanDerWaalsContact O-N 3.14Å; S39-V42 PolarHBondContact O-N 2.92Å; V42-K56 HydrophobicContact CB-CB 4.01Å; V42-K56 HydrophobicContact CG1-CB 4.16Å; V42-K56 HydrophobicContact CG1-CD 4.38Å; V42-K56 HydrophobicContact CG2-CB 4.47Å; V42-F57 HydrophobicContact CG2-CB 4.29Å; V42-F57 HydrophobicContact CG2-CD2 4.13Å; V42-L60 HydrophobicContact CG2-CD2 3.8Å
43H77.3Confident76.6Confident58 Ų5872.9 Ų72.927%0.26937%0.368SS..  trans-67.3129.9179.3-168.4-83.4000110S39 D45 R46 A47 F57S39-H43 WeakPolarHBondContact O-CB 3.48Å; S39-H43 PolarHBondContact O-N 2.93Å; H43-D45 WeakPolarHBondContact CE1-CB 3.16Å; H43-D45 WeakPolarHBondContact ND1-CB 3.48Å; H43-D45 PolarHBondContact ND1-N 2.95Å; H43-D45 VanDerWaalsContact ND1-N 3.12Å; H43-D45 PolarHBondContact O-N 3.35Å; H43-D45 VanDerWaalsContact O-N 3.15Å; H43-R46 HydrophobicContact CB-CB 4.36Å; H43-R46 PolarHBondContact O-N 3.19Å; H43-A47 PolarHBondContact O-N 3.36Å; H43-F57 AromaticContact CD2-CE2 3.86Å
44P73.6Confident76.7Confident54 Ų5470.6 Ų70.635%0.35136%0.364SS..THydrogen-bonded Turntrans-59-31.7-175.521.9-33.2000113.4
45D72.9Confident76.9Confident132 Ų13271.9 Ų71.971%0.70637%0.369SS*.THydrogen-bonded Turntrans-69.5-31.1175.1-166.953.1000113.7H43H43-D45 WeakPolarHBondContact CE1-CB 3.16Å; H43-D45 WeakPolarHBondContact ND1-CB 3.48Å; H43-D45 PolarHBondContact ND1-N 2.95Å; H43-D45 VanDerWaalsContact ND1-N 3.12Å; H43-D45 PolarHBondContact O-N 3.35Å; H43-D45 VanDerWaalsContact O-N 3.15Å
46R64.9Low77.1Confident178 Ų17873.5 Ų73.567%0.67238%0.376SS*.THydrogen-bonded Turntrans-95.8-18-177.9-77-173.2147.1109.5-1.3113.5L40 H43 P48L40-R46 WeakPolarHBondContact O-CD 3.25Å; H43-R46 HydrophobicContact CB-CB 4.36Å; H43-R46 PolarHBondContact O-N 3.19Å; R46-P48 WeakPolarHBondContact O-CD 3.37Å
47A68.9Low77.5Confident21 Ų2170.8 Ų70.817%0.17437%0.366CS..  trans-123.460.5177.400000111H43 D49 D50 A53H43-A47 PolarHBondContact O-N 3.36Å; A47-D49 PolarHBondContact O-N 2.89Å; A47-D50 HydrophobicContact CB-CB 4.31Å; A47-D50 PolarHBondContact O-N 3.46Å; A47-D50 VanDerWaalsContact O-N 3.17Å; A47-A53 HydrophobicContact CB-CB 4.24Å
48P70.1Confident77.7Confident99 Ų9970.9 Ų70.964%0.64337%0.368SS*.THydrogen-bonded Turntrans-64.4-22.1-178.728.1-35.8000113R46R46-P48 WeakPolarHBondContact O-CD 3.37Å
49D75.6Confident77.9Confident158 Ų15870.4 Ų70.485%0.84537%0.365SS*.THydrogen-bonded Turntrans-82.1-11.2179.6-59.3-39.2000113.5A47 P51A47-D49 PolarHBondContact O-N 2.89Å; D49-P51 WeakPolarHBondContact O-CD 3.29Å
50D77.7Confident78.3Confident46 Ų4670.4 Ų70.425%0.24637%0.365CS..  trans-98.9104.9178.5-173.5-8.5000110.2A47 Q52 A53 K56A47-D50 HydrophobicContact CB-CB 4.31Å; A47-D50 PolarHBondContact O-N 3.46Å; A47-D50 VanDerWaalsContact O-N 3.17Å; D50-Q52 PolarHBondContact O-N 3.06Å; D50-Q52 VanDerWaalsContact O-N 3.08Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.47Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.42Å; D50-Q52 PolarHBondContact OD1-N 3.46Å; D50-A53 HydrophobicContact CB-CB 4.18Å; D50-A53 VanDerWaalsContact O-CB 3.25Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 2.91Å; D50-K56 IonicContact OD1-NZ 3.18Å; D50-K56 IonicContact OD2-NZ 2.75Å; D50-K56 PolarHBondContact OD2-NZ 3.38Å
51P81.4Confident78.6Confident126 Ų12668.5 Ų68.582%0.81836%0.355SS*.THydrogen-bonded Turntrans-65.1-15.418028.1-35000112.8D49D49-P51 WeakPolarHBondContact O-CD 3.29Å
52Q84Confident79Confident85 Ų8566 Ų6640%0.39735%0.345SS..THydrogen-bonded Turntrans-97.52.9176.9-58.8-176.8-53.600112.8L10 D50 T54 E55 K56L10-Q52 HydrophobicContact CD2-CB 4.24Å; D50-Q52 PolarHBondContact O-N 3.06Å; D50-Q52 VanDerWaalsContact O-N 3.08Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.47Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.42Å; D50-Q52 PolarHBondContact OD1-N 3.46Å; Q52-T54 VanDerWaalsContact C-N 3.31Å; Q52-T54 PolarHBondContact O-N 3.3Å; Q52-E55 PolarHBondContact O-N 3.31Å; Q52-E55 VanDerWaalsContact O-N 3.11Å; Q52-K56 HydrophobicContact CB-CD 4.46Å; Q52-K56 WeakPolarHBondContact O-CB 3.24Å; Q52-K56 WeakPolarHBondContact O-CG 3.24Å; Q52-K56 PolarHBondContact O-N 2.91Å
53A79.3Confident79.6Confident3 Ų365.4 Ų65.43%0.02534%0.341CS..Hα-helixtrans-54.7-45.7-179.300000112.1A47 D50 E55 K56 F57A47-A53 HydrophobicContact CB-CB 4.24Å; D50-A53 HydrophobicContact CB-CB 4.18Å; D50-A53 VanDerWaalsContact O-CB 3.25Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 2.91Å; A53-E55 PolarHBondContact O-N 2.67Å; A53-K56 PolarHBondContact O-N 2.84Å; A53-F57 VanDerWaalsContact O-CB 3.23Å; A53-F57 WeakPolarHBondContact O-CB 3.42Å; A53-F57 PolarHBondContact O-N 3.43Å
54T80.9Confident80Confident78 Ų7863.7 Ų63.748%0.47933%0.332SS..Hα-helixtrans-59.5-45177-50.20000112Q52 F57 Q58Q52-T54 VanDerWaalsContact C-N 3.31Å; Q52-T54 PolarHBondContact O-N 3.3Å; T54-F57 PolarHBondContact O-N 2.93Å; T54-Q58 VanDerWaalsContact O-CG 3.31Å; T54-Q58 WeakPolarHBondContact O-CG 3.23Å; T54-Q58 PolarHBondContact O-N 3.23Å
55E84.4Confident80.5Confident57 Ų5761.2 Ų61.227%0.26632%0.317SS..Hα-helixtrans-70.7-43-178.8-159.8-179.6-175.400111.1R6 L10 Q52 A53 F57 Q58 V59R6-E55 IonicContact CZ-OE1 2.67Å; R6-E55 IonicContact NE-OE1 3.69Å; R6-E55 IonicContact NH1-OE1 3.48Å; R6-E55 PolarHBondContact NH1-OE1 3.49Å; R6-E55 IonicContact NH2-OE1 3.42Å; L10-E55 HydrophobicContact CD1-CB 4.23Å; L10-E55 HydrophobicContact CD1-CG 3.87Å; Q52-E55 PolarHBondContact O-N 3.31Å; Q52-E55 VanDerWaalsContact O-N 3.11Å; A53-E55 PolarHBondContact O-N 2.67Å; E55-F57 VanDerWaalsContact C-N 3.27Å; E55-F57 PolarHBondContact O-N 3.46Å; E55-Q58 PolarHBondContact O-N 3.18Å; E55-V59 WeakPolarHBondContact O-CB 3.39Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 2.88Å
56K85Confident81.1Confident35 Ų3555 Ų5515%0.15228%0.283CS..Hα-helixtrans-56-43.7172.2-79.3171.5-175.9170.40111.3L10 F11 V42 D50 Q52 A53 V59 L60L10-K56 HydrophobicContact CB-CG 3.9Å; L10-K56 HydrophobicContact CD1-CG 4.29Å; L10-K56 HydrophobicContact CD2-CG 4.25Å; L10-K56 HydrophobicContact CG-CG 4.38Å; L10-K56 WeakPolarHBondContact O-CE 3.49Å; F11-K56 HydrophobicContact CE1-CG 4.46Å; F11-K56 HydrophobicContact CE2-CB 4.3Å; F11-K56 HydrophobicContact CE2-CG 4.27Å; F11-K56 HydrophobicContact CZ-CB 3.8Å; F11-K56 HydrophobicContact CZ-CG 3.99Å; V42-K56 HydrophobicContact CB-CB 4.01Å; V42-K56 HydrophobicContact CG1-CB 4.16Å; V42-K56 HydrophobicContact CG1-CD 4.38Å; V42-K56 HydrophobicContact CG2-CB 4.47Å; D50-K56 IonicContact OD1-NZ 3.18Å; D50-K56 IonicContact OD2-NZ 2.75Å; D50-K56 PolarHBondContact OD2-NZ 3.38Å; Q52-K56 HydrophobicContact CB-CD 4.46Å; Q52-K56 WeakPolarHBondContact O-CB 3.24Å; Q52-K56 WeakPolarHBondContact O-CG 3.24Å; Q52-K56 PolarHBondContact O-N 2.91Å; A53-K56 PolarHBondContact O-N 2.84Å; K56-V59 PolarHBondContact O-N 2.84Å; K56-L60 WeakPolarHBondContact O-CB 3.18Å; K56-L60 PolarHBondContact O-N 3.22Å
57F82.2Confident82.2Confident18 Ų1846.6 Ų46.68%0.07925%0.252CS..Hα-helixtrans-65.4-45.6178.8-170.7-93000112.2V42 H43 A53 T54 E55 V59 L60 G61 W95 W99V42-F57 HydrophobicContact CG2-CB 4.29Å; V42-F57 HydrophobicContact CG2-CD2 4.13Å; H43-F57 AromaticContact CD2-CE2 3.86Å; A53-F57 VanDerWaalsContact O-CB 3.23Å; A53-F57 WeakPolarHBondContact O-CB 3.42Å; A53-F57 PolarHBondContact O-N 3.43Å; T54-F57 PolarHBondContact O-N 2.93Å; E55-F57 VanDerWaalsContact C-N 3.27Å; E55-F57 PolarHBondContact O-N 3.46Å; F57-V59 VanDerWaalsContact C-N 3.35Å; F57-V59 PolarHBondContact O-N 2.75Å; F57-L60 PolarHBondContact O-N 3.48Å; F57-G61 PolarHBondContact O-N 2.63Å; F57-W95 HydrophobicContact CE1-CB 4.42Å; F57-W95 AromaticContact CE1-CD2 3.96Å; F57-W95 HydrophobicContact CE1-CD2 3.96Å; F57-W95 HydrophobicContact CE1-CE3 4.37Å; F57-W95 AromaticContact CE1-CG 3.96Å; F57-W95 HydrophobicContact CE1-CG 3.96Å; F57-W99 AromaticContact CE2-CZ2 3.74Å; F57-W99 HydrophobicContact CE2-CZ2 3.74Å; F57-W99 AromaticContact CZ-CE2 4Å; F57-W99 AromaticContact CZ-CZ2 3.82Å; F57-W99 HydrophobicContact CZ-CZ2 3.82Å; F57-W99 AromaticContact CZ-NE1 3.56Å
58Q82.8Confident82.8Confident106 Ų10647.6 Ų47.650%0.49526%0.257SS..Hα-helixtrans-60.4-44.1176.2-73.3175.31.100111.9T54 E55 G61 K62T54-Q58 VanDerWaalsContact O-CG 3.31Å; T54-Q58 WeakPolarHBondContact O-CG 3.23Å; T54-Q58 PolarHBondContact O-N 3.23Å; E55-Q58 PolarHBondContact O-N 3.18Å; Q58-G61 PolarHBondContact O-N 2.92Å; Q58-K62 PolarHBondContact O-N 3.28Å; Q58-K62 VanDerWaalsContact O-N 3.11Å
59V86.9Confident83.5Confident11 Ų1145.4 Ų45.47%0.06724%0.24CC..Hα-helixtrans-67.5-43.2179169.80000111.5L3 R6 C7 L10 F11 E55 K56 F57 G61 K62 L63L3-V59 HydrophobicContact CD1-CG1 4.07Å; R6-V59 HydrophobicContact CB-CG1 4.33Å; R6-V59 HydrophobicContact CB-CG2 3.83Å; C7-V59 VanDerWaalsContact SG-CG1 3.55Å; L10-V59 HydrophobicContact CD1-CB 4.13Å; L10-V59 HydrophobicContact CD1-CG2 3.72Å; F11-V59 HydrophobicContact CE2-CB 4.46Å; F11-V59 HydrophobicContact CE2-CG1 4.14Å; E55-V59 WeakPolarHBondContact O-CB 3.39Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 2.88Å; K56-V59 PolarHBondContact O-N 2.84Å; F57-V59 VanDerWaalsContact C-N 3.35Å; F57-V59 PolarHBondContact O-N 2.75Å; V59-G61 PolarHBondContact O-N 3.02Å; V59-K62 PolarHBondContact O-N 3.43Å; V59-L63 WeakPolarHBondContact O-CB 3.37Å; V59-L63 PolarHBondContact O-N 3.28Å
60L85.8Confident83.9Confident0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-58.2-38.8174.6-173.871.7000111.4F11 V19 L20 Y35 V38 S39 V42 K56 F57 Y64F11-L60 HydrophobicContact CZ-CB 4.4Å; V19-L60 HydrophobicContact CG1-CD1 3.99Å; L20-L60 HydrophobicContact CD2-CD1 3.75Å; Y35-L60 HydrophobicContact CD2-CD1 4.43Å; Y35-L60 HydrophobicContact CD2-CD2 4.23Å; Y35-L60 HydrophobicContact CD2-CG 3.93Å; Y35-L60 HydrophobicContact CE2-CD2 4.02Å; Y35-L60 HydrophobicContact CE2-CG 3.74Å; V38-L60 HydrophobicContact CB-CD1 4.2Å; V38-L60 HydrophobicContact CB-CD2 4.1Å; V38-L60 HydrophobicContact CG1-CD1 3.69Å; V38-L60 HydrophobicContact CG1-CD2 3.81Å; V38-L60 HydrophobicContact CG1-CG 4.41Å; S39-L60 VanDerWaalsContact CA-CD2 3.43Å; V42-L60 HydrophobicContact CG2-CD2 3.8Å; K56-L60 WeakPolarHBondContact O-CB 3.18Å; K56-L60 PolarHBondContact O-N 3.22Å; F57-L60 PolarHBondContact O-N 3.48Å; L60-Y64 PolarHBondContact O-N 3.02Å
61G82.9Confident84.2Confident1 Ų150.1 Ų50.11%0.0125%0.253CS..Hα-helixtrans-65.1-44.9177.600000114.2F57 Q58 V59 Y64 A65 W95F57-G61 PolarHBondContact O-N 2.63Å; Q58-G61 PolarHBondContact O-N 2.92Å; V59-G61 PolarHBondContact O-N 3.02Å; G61-Y64 PolarHBondContact O-N 3.42Å; G61-A65 PolarHBondContact O-N 3.32Å; G61-W95 VanDerWaalsContact CA-CZ2 3.48Å
62K85.1Confident84.3Confident107 Ų10745.2 Ų45.247%0.46522%0.219SC..Hα-helixtrans-63.2-44.7174.8-72.6-177.9179.2-171.80111.5L3 Q58 V59 Y64 A65 V66 L89L3-K62 HydrophobicContact CD1-CB 3.53Å; L3-K62 HydrophobicContact CD1-CD 4.2Å; L3-K62 HydrophobicContact CD2-CB 4.17Å; Q58-K62 PolarHBondContact O-N 3.28Å; Q58-K62 VanDerWaalsContact O-N 3.11Å; V59-K62 PolarHBondContact O-N 3.43Å; K62-Y64 VanDerWaalsContact C-N 3.33Å; K62-Y64 PolarHBondContact O-N 2.89Å; K62-A65 VanDerWaalsContact O-CB 3.32Å; K62-A65 WeakPolarHBondContact O-CB 3.36Å; K62-A65 PolarHBondContact O-N 2.65Å; K62-A65 VanDerWaalsContact O-N 3.13Å; K62-V66 PolarHBondContact O-N 3.05Å; K62-L89 HydrophobicContact CB-CD2 3.75Å; K62-L89 HydrophobicContact CG-CD2 4.06Å; K62-L89 WeakPolarHBondContact O-CD2 3.37Å
63L88.9Confident84.4Confident0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-56.2-47.4174.8176.9158.3000112L16 V19 L20 V59 A65 V66 L67L16-L63 HydrophobicContact CB-CD1 3.87Å; L16-L63 HydrophobicContact CB-CD2 4.29Å; L16-L63 HydrophobicContact CB-CG 3.77Å; L16-L63 HydrophobicContact CD1-CG 4.4Å; L16-L63 HydrophobicContact CD2-CB 4.22Å; L16-L63 HydrophobicContact CD2-CD1 3.55Å; L16-L63 HydrophobicContact CD2-CG 3.65Å; L16-L63 HydrophobicContact CG-CD1 4.24Å; L16-L63 HydrophobicContact CG-CG 4.09Å; V19-L63 HydrophobicContact CB-CD1 3.54Å; V19-L63 HydrophobicContact CG1-CD1 3.72Å; V19-L63 HydrophobicContact CG2-CD1 3.77Å; L20-L63 HydrophobicContact CD1-CD2 3.74Å; L20-L63 HydrophobicContact CD2-CD2 3.98Å; L20-L63 HydrophobicContact CG-CD2 3.61Å; V59-L63 WeakPolarHBondContact O-CB 3.37Å; V59-L63 PolarHBondContact O-N 3.28Å; L63-A65 VanDerWaalsContact C-N 3.29Å; L63-A65 PolarHBondContact O-N 3.44Å; L63-V66 PolarHBondContact O-N 2.7Å; L63-L67 HydrophobicContact CD2-CD1 3.69Å; L63-L67 HydrophobicContact CD2-CG 4.28Å; L63-L67 PolarHBondContact O-N 2.65Å
64Y86.4Confident84.7Confident22 Ų2244.9 Ų44.99%0.08622%0.224CC..Hα-helixtrans-64-36.8178.1176.9-100.4000111.7I31 R32 Y35 L60 G61 K62 V66 L67 S68 Y98I31-Y64 HydrophobicContact CG2-CD2 4Å; I31-Y64 HydrophobicContact CG2-CE2 3.96Å; R32-Y64 HydrophobicContact CB-CE2 4.4Å; Y35-Y64 HydrophobicContact CD1-CD1 4.42Å; Y35-Y64 HydrophobicContact CD1-CD2 4.05Å; Y35-Y64 HydrophobicContact CD1-CE2 4.31Å; Y35-Y64 HydrophobicContact CD1-CG 4.11Å; Y35-Y64 AromaticContact CD2-CD2 3.82Å; Y35-Y64 HydrophobicContact CD2-CD2 3.82Å; Y35-Y64 AromaticContact CD2-CG 3.65Å; Y35-Y64 HydrophobicContact CD2-CG 3.65Å; Y35-Y64 HydrophobicContact CE1-CD1 4.44Å; Y35-Y64 HydrophobicContact CE1-CG 4.41Å; Y35-Y64 VanDerWaalsContact CE2-CB 3.49Å; Y35-Y64 HydrophobicContact CE2-CD1 4.48Å; Y35-Y64 AromaticContact CE2-CG 3.93Å; Y35-Y64 HydrophobicContact CE2-CG 3.93Å; Y35-Y64 HydrophobicContact CG-CD1 4.47Å; Y35-Y64 AromaticContact CG-CD2 3.52Å; Y35-Y64 HydrophobicContact CG-CD2 3.52Å; Y35-Y64 HydrophobicContact CG-CE2 4.12Å; Y35-Y64 AromaticContact CG-CG 3.72Å; Y35-Y64 HydrophobicContact CG-CG 3.72Å; L60-Y64 PolarHBondContact O-N 3.02Å; G61-Y64 PolarHBondContact O-N 3.42Å; K62-Y64 VanDerWaalsContact C-N 3.33Å; K62-Y64 PolarHBondContact O-N 2.89Å; Y64-V66 VanDerWaalsContact C-N 3.3Å; Y64-V66 PolarHBondContact O-N 2.61Å; Y64-L67 PolarHBondContact O-N 2.71Å; Y64-S68 WeakPolarHBondContact O-CA 3.43Å; Y64-S68 WeakPolarHBondContact O-CB 2.98Å; Y64-S68 PolarHBondContact O-N 3.24Å; Y64-S68 PolarHBondContact O-OG 2.94Å; Y64-Y98 HydrophobicContact CE1-CE1 4.44Å; Y64-Y98 AromaticContact CE1-CZ 3.85Å; Y64-Y98 WeakPolarHBondContact CE1-OH 3.43Å; Y64-Y98 PolarHBondContact OH-OH 2.91Å
65A83.9Confident84.9Confident3 Ų343.5 Ų43.53%0.02522%0.215CC..Hα-helixtrans-56-46.3175.400000111.4G61 K62 L63 S68 D69 V88 L89G61-A65 PolarHBondContact O-N 3.32Å; K62-A65 VanDerWaalsContact O-CB 3.32Å; K62-A65 WeakPolarHBondContact O-CB 3.36Å; K62-A65 PolarHBondContact O-N 2.65Å; K62-A65 VanDerWaalsContact O-N 3.13Å; L63-A65 VanDerWaalsContact C-N 3.29Å; L63-A65 PolarHBondContact O-N 3.44Å; A65-S68 PolarHBondContact O-OG 2.85Å; A65-S68 VanDerWaalsContact O-OG 3.1Å; A65-D69 PolarHBondContact O-N 3.11Å; A65-V88 HydrophobicContact CB-CG1 3.85Å; A65-L89 HydrophobicContact CB-CD2 4.08Å
66V86.6Confident85Confident0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-62-48.5175.8179.60000111.8L3 L16 K62 L63 Y64 Q72 R73 V82 L89L3-V66 HydrophobicContact CD2-CG2 4.03Å; L16-V66 HydrophobicContact CD1-CB 4.16Å; L16-V66 HydrophobicContact CD1-CG1 3.85Å; K62-V66 PolarHBondContact O-N 3.05Å; L63-V66 PolarHBondContact O-N 2.7Å; Y64-V66 VanDerWaalsContact C-N 3.3Å; Y64-V66 PolarHBondContact O-N 2.61Å; V66-Q72 HydrophobicContact CG1-CB 4.23Å; V66-R73 PolarHBondContact O-N 2.77Å; V66-V82 HydrophobicContact CG1-CG1 4.45Å; V66-V82 HydrophobicContact CG1-CG2 4.32Å; V66-V82 HydrophobicContact CG2-CG1 3.57Å; V66-L89 HydrophobicContact CG2-CD1 4.11Å; V66-L89 HydrophobicContact CG2-CD2 4.11Å; V66-L89 HydrophobicContact CG2-CG 4.42Å
67L86.7Confident85.1Confident2 Ų242.3 Ų42.31%0.0121%0.21CC..Hα-helixtrans-76.9-21.1-176.2-67.2-174000114.1L16 Y17 L20 I31 L63 Y64 R73 Y76L16-L67 HydrophobicContact CB-CD1 3.88Å; L16-L67 HydrophobicContact CB-CD2 4.13Å; L16-L67 HydrophobicContact CB-CG 4.1Å; L16-L67 HydrophobicContact CD1-CD2 4.2Å; L16-L67 HydrophobicContact CD1-CG 4.31Å; Y17-L67 HydrophobicContact CD1-CD1 4.02Å; Y17-L67 HydrophobicContact CD1-CD2 4.29Å; Y17-L67 HydrophobicContact CE1-CD1 4.17Å; Y17-L67 HydrophobicContact CE1-CD2 3.73Å; Y17-L67 HydrophobicContact CE2-CD2 4.19Å; L20-L67 HydrophobicContact CD1-CD1 3.64Å; L20-L67 HydrophobicContact CG-CD1 4.46Å; I31-L67 HydrophobicContact CD1-CB 4.48Å; I31-L67 HydrophobicContact CG2-CB 4.07Å; L63-L67 HydrophobicContact CD2-CD1 3.69Å; L63-L67 HydrophobicContact CD2-CG 4.28Å; L63-L67 PolarHBondContact O-N 2.65Å; Y64-L67 PolarHBondContact O-N 2.71Å; L67-R73 HydrophobicContact CD2-CG 4.43Å; L67-Y76 HydrophobicContact CD2-CD1 4.1Å; L67-Y76 HydrophobicContact CD2-CE1 4.38Å
68S83.1Confident85.2Confident42 Ų4249.1 Ų49.129%0.29424%0.243SC..Hα-helixtrans-83.6-25.3178.970.60000113Y64 A65Y64-S68 WeakPolarHBondContact O-CA 3.43Å; Y64-S68 WeakPolarHBondContact O-CB 2.98Å; Y64-S68 PolarHBondContact O-N 3.24Å; Y64-S68 PolarHBondContact O-OG 2.94Å; A65-S68 PolarHBondContact O-OG 2.85Å; A65-S68 VanDerWaalsContact O-OG 3.1Å
69D84Confident85.1Confident53 Ų5350 Ų5028%0.28325%0.247SC..SBendtrans-88.8127.4176.5-176.9-75.6000109.9A65 E71 Q72 R73 V88A65-D69 PolarHBondContact O-N 3.11Å; D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.2Å; D69-E71 WeakPolarHBondContact OD1-CA 3.34Å; D69-E71 WeakPolarHBondContact OD1-CB 3.4Å; D69-E71 PolarHBondContact OD1-N 3.36Å; D69-Q72 HydrophobicContact CB-CB 4.05Å; D69-Q72 HydrophobicContact CB-CG 4.19Å; D69-Q72 PolarHBondContact OD1-N 3.36Å; D69-R73 WeakPolarHBondContact O-CB 3.41Å; D69-R73 PolarHBondContact O-N 2.96Å; D69-V88 HydrophobicContact CB-CG1 4.49Å
70K84.9Confident84.7Confident150 Ų15051.4 Ų51.465%0.65226%0.263SS*.Hα-helixtrans-65.6-35.9-174.6-72-178.6177.4176.80112.8E28 A74E28-K70 WeakPolarHBondContact OE1-CE 3.34Å; E28-K70 IonicContact OE1-NZ 2.96Å; K70-A74 WeakPolarHBondContact O-CB 3.49Å; K70-A74 PolarHBondContact O-N 3.37Å; K70-A74 VanDerWaalsContact O-N 3.09Å
71E83.1Confident84.4Confident153 Ų15356.4 Ų56.472%0.71529%0.289SS*.Hα-helixtrans-74.6-47.2-177.6-60.7-174.9170.600109.6D69 R73 A74 V75D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.2Å; D69-E71 WeakPolarHBondContact OD1-CA 3.34Å; D69-E71 WeakPolarHBondContact OD1-CB 3.4Å; D69-E71 PolarHBondContact OD1-N 3.36Å; E71-R73 PolarHBondContact O-N 3.04Å; E71-A74 PolarHBondContact O-N 3.26Å; E71-V75 WeakPolarHBondContact O-CG2 3.3Å; E71-V75 PolarHBondContact O-N 2.92Å
72Q82.5Confident84.1Confident23 Ų2357.2 Ų57.211%0.10729%0.294CS..Hα-helixtrans-64.6-38.9176.6-67.4-65.8-31.300112.4V66 D69 V75 Y76 S86 V88V66-Q72 HydrophobicContact CG1-CB 4.23Å; D69-Q72 HydrophobicContact CB-CB 4.05Å; D69-Q72 HydrophobicContact CB-CG 4.19Å; D69-Q72 PolarHBondContact OD1-N 3.36Å; Q72-V75 PolarHBondContact O-N 3.03Å; Q72-Y76 WeakPolarHBondContact O-CB 3.4Å; Q72-Y76 PolarHBondContact O-N 2.89Å; Q72-S86 PolarHBondContact NE2-OG 3.48Å; Q72-S86 VanDerWaalsContact NE2-OG 3.07Å; Q72-V88 HydrophobicContact CG-CB 4.49Å; Q72-V88 HydrophobicContact CG-CG2 4.21Å
73R87.4Confident83.7Confident38 Ų3855.9 Ų55.914%0.14329%0.292CS..Hα-helixtrans-62.9-42.7174.4-176.7179.8177.3178.61.4111.7Y17 K24 A26 I31 V66 L67 D69 E71 Y76 D77Y17-R73 WeakPolarHBondContact OH-CG 3.19Å; Y17-R73 PolarHBondContact OH-NE 3.41Å; K24-R73 PolarHBondContact O-NH2 3.4Å; A26-R73 PolarHBondContact O-NH1 3.28Å; A26-R73 PolarHBondContact O-NH2 2.89Å; I31-R73 VanDerWaalsContact CD1-CZ 3.5Å; V66-R73 PolarHBondContact O-N 2.77Å; L67-R73 HydrophobicContact CD2-CG 4.43Å; D69-R73 WeakPolarHBondContact O-CB 3.41Å; D69-R73 PolarHBondContact O-N 2.96Å; E71-R73 PolarHBondContact O-N 3.04Å; R73-Y76 PolarHBondContact O-N 3.13Å; R73-D77 IonicContact NE-OD2 3.55Å; R73-D77 VanDerWaalsContact O-CB 3.28Å; R73-D77 WeakPolarHBondContact O-CB 3.4Å; R73-D77 PolarHBondContact O-N 3.2Å
74A85.4Confident82.7Confident44 Ų4460.7 Ų60.736%0.36431%0.314SS..Hα-helixtrans-63.3-44.6177.500000111.5K70 E71 Y76 D77 E78K70-A74 WeakPolarHBondContact O-CB 3.49Å; K70-A74 PolarHBondContact O-N 3.37Å; K70-A74 VanDerWaalsContact O-N 3.09Å; E71-A74 PolarHBondContact O-N 3.26Å; A74-Y76 PolarHBondContact O-N 3.49Å; A74-D77 PolarHBondContact O-N 3.32Å; A74-E78 WeakPolarHBondContact O-CB 3.33Å; A74-E78 WeakPolarHBondContact O-CG 3.31Å; A74-E78 PolarHBondContact O-N 3.37Å
75V84.7Confident81.6Confident49 Ų4968.3 Ų68.330%0.29735%0.351SS..Hα-helixtrans-59.5-46.2175.31730000111.1E71 Q72 D77 E78 Q79E71-V75 WeakPolarHBondContact O-CG2 3.3Å; E71-V75 PolarHBondContact O-N 2.92Å; Q72-V75 PolarHBondContact O-N 3.03Å; V75-D77 VanDerWaalsContact C-N 3.35Å; V75-D77 PolarHBondContact O-N 2.85Å; V75-E78 PolarHBondContact O-N 2.86Å; V75-Q79 WeakPolarHBondContact O-CB 3.46Å; V75-Q79 PolarHBondContact O-N 2.98Å
76Y86.5Confident80.8Confident20 Ų2069 Ų698%0.07836%0.355CS..Hα-helixtrans-62.6-40.5175.8177-103.3000112.3L4 N15 L16 Y17 L67 Q72 R73 A74 E78 G80 L81 V82L4-Y76 HydrophobicContact CD2-CE2 3.93Å; N15-Y76 PolarHBondContact OD1-OH 2.95Å; L16-Y76 HydrophobicContact CB-CE1 3.98Å; L16-Y76 HydrophobicContact CD1-CD1 4.15Å; L16-Y76 HydrophobicContact CD1-CD2 3.82Å; L16-Y76 HydrophobicContact CD1-CE1 4.03Å; L16-Y76 HydrophobicContact CD1-CE2 3.7Å; L16-Y76 HydrophobicContact CD1-CG 4.05Å; L16-Y76 HydrophobicContact CG-CD2 4.35Å; L16-Y76 HydrophobicContact CG-CE1 4.03Å; L16-Y76 HydrophobicContact CG-CE2 3.7Å; L16-Y76 PolarHBondContact N-OH 2.99Å; Y17-Y76 AromaticContact CD2-CE1 3.93Å; Y17-Y76 HydrophobicContact CD2-CE1 3.93Å; Y17-Y76 AromaticContact CE2-CD1 3.98Å; Y17-Y76 HydrophobicContact CE2-CD1 3.98Å; Y17-Y76 AromaticContact CE2-CE1 3.61Å; Y17-Y76 HydrophobicContact CE2-CE1 3.61Å; L67-Y76 HydrophobicContact CD2-CD1 4.1Å; L67-Y76 HydrophobicContact CD2-CE1 4.38Å; Q72-Y76 WeakPolarHBondContact O-CB 3.4Å; Q72-Y76 PolarHBondContact O-N 2.89Å; R73-Y76 PolarHBondContact O-N 3.13Å; A74-Y76 PolarHBondContact O-N 3.49Å; Y76-E78 VanDerWaalsContact C-N 3.34Å; Y76-E78 PolarHBondContact O-N 3.42Å; Y76-G80 WeakPolarHBondContact O-CA 3.3Å; Y76-G80 PolarHBondContact O-N 2.82Å; Y76-L81 WeakPolarHBondContact CA-O 3.34Å; Y76-V82 HydrophobicContact CD2-CG2 3.81Å; Y76-V82 HydrophobicContact CE2-CG2 4.27Å
77D87.5Confident79.6Confident46 Ų4675.1 Ų75.125%0.24639%0.388CS..Hα-helixtrans-69.3-30.8-179.3-78.3-16.6000113.3Y17 K24 R73 A74 V75Y17-D77 VanDerWaalsContact CE2-OD1 3.23Å; Y17-D77 WeakPolarHBondContact CE2-OD1 2.85Å; Y17-D77 VanDerWaalsContact OH-CG 3.22Å; Y17-D77 PolarHBondContact OH-OD1 3.03Å; Y17-D77 PolarHBondContact OH-OD2 3.2Å; Y17-D77 VanDerWaalsContact OH-OD2 3.11Å; K24-D77 WeakPolarHBondContact CE-OD1 3.42Å; K24-D77 PolarHBondContact NZ-O 3.43Å; R73-D77 IonicContact NE-OD2 3.55Å; R73-D77 VanDerWaalsContact O-CB 3.28Å; R73-D77 WeakPolarHBondContact O-CB 3.4Å; R73-D77 PolarHBondContact O-N 3.2Å; A74-D77 PolarHBondContact O-N 3.32Å; V75-D77 VanDerWaalsContact C-N 3.35Å; V75-D77 PolarHBondContact O-N 2.85Å
78E83.6Confident78.4Confident162 Ų16277.2 Ų77.276%0.75740%0.401SS*.Hα-helixtrans-87.4-43.1179.7-72.8-177.417800112.8A74 V75 Y76A74-E78 WeakPolarHBondContact O-CB 3.33Å; A74-E78 WeakPolarHBondContact O-CG 3.31Å; A74-E78 PolarHBondContact O-N 3.37Å; V75-E78 PolarHBondContact O-N 2.86Å; Y76-E78 VanDerWaalsContact C-N 3.34Å; Y76-E78 PolarHBondContact O-N 3.42Å
79Q81.4Confident77.3Confident125 Ų12576.5 Ų76.558%0.58439%0.394SS*.Hα-helixtrans-105.6-18.9-170.5-56.7-175.81000113.2V75 L81V75-Q79 WeakPolarHBondContact O-CB 3.46Å; V75-Q79 PolarHBondContact O-N 2.98Å; Q79-L81 HydrophobicContact CB-CB 4.37Å; Q79-L81 HydrophobicContact CB-CG 4.49Å; Q79-L81 PolarHBondContact O-N 3.43Å
80G79.1Confident76.2Confident39 Ų3977.7 Ų77.740%0.40241%0.406SS..SBendtrans66.914.3-172.700000113.6Y76Y76-G80 WeakPolarHBondContact O-CA 3.3Å; Y76-G80 PolarHBondContact O-N 2.82Å
81L78.2Confident74.6Confident106 Ų10677.5 Ų77.556%0.55541%0.407SS*.  trans-113.7152.8-178.9-62.8177.5000110Y76 Q79Y76-L81 WeakPolarHBondContact CA-O 3.34Å; Q79-L81 HydrophobicContact CB-CB 4.37Å; Q79-L81 HydrophobicContact CB-CG 4.49Å; Q79-L81 PolarHBondContact O-N 3.43Å
82V78.1Confident73.2Confident17 Ų1778.3 Ų78.310%0.10342%0.417CS..  trans-113.4127.9173.8177.90000107.7L3 L4 L16 V66 Y76 E84 L89L3-V82 HydrophobicContact CD2-CG1 3.91Å; L3-V82 HydrophobicContact CD2-CG2 4.34Å; L4-V82 HydrophobicContact CD1-CG2 4.46Å; L4-V82 HydrophobicContact CD2-CG2 4Å; L4-V82 HydrophobicContact CG-CG2 4.17Å; L16-V82 HydrophobicContact CD1-CG2 3.99Å; V66-V82 HydrophobicContact CG1-CG1 4.45Å; V66-V82 HydrophobicContact CG1-CG2 4.32Å; V66-V82 HydrophobicContact CG2-CG1 3.57Å; Y76-V82 HydrophobicContact CD2-CG2 3.81Å; Y76-V82 HydrophobicContact CE2-CG2 4.27Å; V82-E84 PolarHBondContact O-N 2.67Å; V82-L89 HydrophobicContact CG1-CD1 3.74Å
83D74.9Confident72Confident80 Ų8081 Ų8143%0.42843%0.426SS..  trans-78.196.4172.3-179.110.6000109.8E85 S86 L89D83-E85 PolarHBondContact O-N 3.03Å; D83-E85 PolarHBondContact OD1-N 3.2Å; D83-S86 VanDerWaalsContact O-CB 3.26Å; D83-S86 WeakPolarHBondContact O-CB 3.46Å; D83-S86 PolarHBondContact O-N 2.85Å; D83-L89 WeakPolarHBondContact O-CD1 3.39Å
84E68.1Low70.5Confident100 Ų10082.4 Ų82.447%0.46744%0.441SS..THydrogen-bonded Turntrans-72.1-16.4-177.5-68.3179.8-163.300114G2 L3 V82G2-E84 WeakPolarHBondContact CA-OE1 3.2Å; G2-E84 WeakPolarHBondContact CA-OE2 3.4Å; L3-E84 PolarHBondContact N-OE1 3.04Å; V82-E84 PolarHBondContact O-N 2.67Å
85E64.8Low69.2Low183 Ų18383.2 Ų83.286%0.85544%0.435SS*.THydrogen-bonded Turntrans-90.5-3.1176.4-64.9-169.5171.900112.4D83D83-E85 PolarHBondContact O-N 3.03Å; D83-E85 PolarHBondContact OD1-N 3.2Å
86S65.8Low67.9Low16 Ų1686.5 Ų86.511%0.11245%0.447CS..SBendtrans-59.3138.4175.7-177.90000111.8Q72 D83 V88 L89 S90Q72-S86 PolarHBondContact NE2-OG 3.48Å; Q72-S86 VanDerWaalsContact NE2-OG 3.07Å; D83-S86 VanDerWaalsContact O-CB 3.26Å; D83-S86 WeakPolarHBondContact O-CB 3.46Å; D83-S86 PolarHBondContact O-N 2.85Å; S86-V88 PolarHBondContact O-N 3.32Å; S86-V88 PolarHBondContact OG-N 3.08Å; S86-L89 PolarHBondContact O-N 3.44Å; S86-S90 PolarHBondContact O-N 3.04Å
87D62.1Low66.6Low130 Ų13091.7 Ų91.770%0.69547%0.472SS*.Hα-helixtrans-54.8-24.5173.4-86.6-22.4000113L89 S90D87-L89 PolarHBondContact O-N 3.09Å; D87-S90 WeakPolarHBondContact CA-OG 3.4Å; D87-S90 PolarHBondContact O-N 2.59Å; D87-S90 PolarHBondContact O-OG 3.44Å; D87-S90 PolarHBondContact OD1-OG 2.88Å
88V60.6Low65.4Low46 Ų4691.2 Ų91.228%0.27947%0.467SS..Hα-helixtrans-63.1-27.7176179.70000112.1A65 D69 Q72 S86A65-V88 HydrophobicContact CB-CG1 3.85Å; D69-V88 HydrophobicContact CB-CG1 4.49Å; Q72-V88 HydrophobicContact CG-CB 4.49Å; Q72-V88 HydrophobicContact CG-CG2 4.21Å; S86-V88 PolarHBondContact O-N 3.32Å; S86-V88 PolarHBondContact OG-N 3.08Å
89L60.4Low64.5Low27 Ų2784.8 Ų84.814%0.14144%0.435CS..Hα-helixtrans-104.5-9.2178.6-66.7177.5000113.3K62 A65 V66 V82 D83 S86 D87K62-L89 HydrophobicContact CB-CD2 3.75Å; K62-L89 HydrophobicContact CG-CD2 4.06Å; K62-L89 WeakPolarHBondContact O-CD2 3.37Å; A65-L89 HydrophobicContact CB-CD2 4.08Å; V66-L89 HydrophobicContact CG2-CD1 4.11Å; V66-L89 HydrophobicContact CG2-CD2 4.11Å; V66-L89 HydrophobicContact CG2-CG 4.42Å; V82-L89 HydrophobicContact CG1-CD1 3.74Å; D83-L89 WeakPolarHBondContact O-CD1 3.39Å; S86-L89 PolarHBondContact O-N 3.44Å; D87-L89 PolarHBondContact O-N 3.09Å
90S60.7Low63.8Low78 Ų7886.7 Ų86.755%0.54544%0.437SS..Hα-helixtrans-81.4-17-176.784.40000113.9S86 D87S86-S90 PolarHBondContact O-N 3.04Å; D87-S90 WeakPolarHBondContact CA-OG 3.4Å; D87-S90 PolarHBondContact O-N 2.59Å; D87-S90 PolarHBondContact O-OG 3.44Å; D87-S90 PolarHBondContact OD1-OG 2.88Å
91Q52.3Low63Low145 Ų14591.5 Ų91.568%0.67845%0.453SS*.SBendtrans-87.5124.9-179-80.3179.9-5.700113R93Q91-R93 HydrophobicContact CB-CG 4.42Å; Q91-R93 PolarHBondContact O-N 3.14Å
92D53.5Low62.2Low170 Ų17088 Ų8891%0.90944%0.435SS*.  trans-52.178149-102.5-23.7000108.8C94D92-C94 PolarHBondContact O-N 3.38Å
93R57Low61.7Low79 Ų7991.3 Ų91.330%0.29845%0.448SS..  trans-62.8113.9171.8-76.2-139.1-83.8-149.5-5.6106.5Q91 W95Q91-R93 HydrophobicContact CB-CG 4.42Å; Q91-R93 PolarHBondContact O-N 3.14Å; R93-W95 PolarHBondContact O-N 3.34Å; R93-W95 PolarHBondContact O-NE1 2.91Å
94C55.5Low61.7Low69 Ų6992.7 Ų92.747%0.46646%0.461SS..  trans-63.992.5168.4-174.10000107.3D92 E96 E97 Y98D92-C94 PolarHBondContact O-N 3.38Å; C94-E96 PolarHBondContact O-N 3.11Å; C94-E96 VanDerWaalsContact O-N 3.13Å; C94-E97 HydrophobicContact CB-CG 4.23Å; C94-E97 PolarHBondContact O-N 3.08Å; C94-Y98 PolarHBondContact O-N 3.17Å
95W58.3Low62.1Low61 Ų6196.6 Ų96.623%0.23148%0.477CS..Hα-helixtrans-53.5-38-175.1-70.496.4000110.8Y35 F57 G61 R93 E97 Y98 W99Y35-W95 WeakPolarHBondContact OH-CZ3 3.28Å; F57-W95 HydrophobicContact CE1-CB 4.42Å; F57-W95 AromaticContact CE1-CD2 3.96Å; F57-W95 HydrophobicContact CE1-CD2 3.96Å; F57-W95 HydrophobicContact CE1-CE3 4.37Å; F57-W95 AromaticContact CE1-CG 3.96Å; F57-W95 HydrophobicContact CE1-CG 3.96Å; G61-W95 VanDerWaalsContact CA-CZ2 3.48Å; R93-W95 PolarHBondContact O-N 3.34Å; R93-W95 PolarHBondContact O-NE1 2.91Å; W95-E97 PolarHBondContact O-N 2.69Å; W95-Y98 HydrophobicContact CE3-CD1 4.39Å; W95-Y98 HydrophobicContact CZ3-CD1 4.33Å; W95-Y98 PolarHBondContact O-N 3.21Å; W95-W99 AromaticContact CE3-NE1 3.96Å; W95-W99 PolarHBondContact O-N 2.95Å
96E58.2Low62.9Low117 Ų11794 Ų9455%0.54747%0.467SS..Hα-helixtrans-52.3-41.3177.6-166.2177.7178.200112.9C94 R100C94-E96 PolarHBondContact O-N 3.11Å; C94-E96 VanDerWaalsContact O-N 3.13Å; E96-R100 WeakPolarHBondContact O-CB 3.38Å; E96-R100 VanDerWaalsContact O-CG 3.23Å; E96-R100 WeakPolarHBondContact O-CG 3.48Å; E96-R100 PolarHBondContact O-N 3.35Å; E96-R100 IonicContact OE1-CZ 2.94Å; E96-R100 IonicContact OE1-NE 3.7Å; E96-R100 IonicContact OE1-NH2 2.77Å; E96-R100 PolarHBondContact OE1-NH2 3.45Å
97E57.9Low63.8Low129 Ų12996.1 Ų96.160%0.60348%0.48SS*.Hα-helixtrans-69.3-41.4177.6-65.1-172.5162.400112C94 W95 R100 L101C94-E97 HydrophobicContact CB-CG 4.23Å; C94-E97 PolarHBondContact O-N 3.08Å; W95-E97 PolarHBondContact O-N 2.69Å; E97-R100 PolarHBondContact O-N 3.33Å; E97-L101 WeakPolarHBondContact O-CG 3.42Å; E97-L101 PolarHBondContact O-N 3.14Å
98Y63.7Low64.8Low37 Ų3793.9 Ų93.915%0.14547%0.47CS..Hα-helixtrans-66.3-40.9177.6-179.3-107.5000112.2Y35 Y64 C94 W95 L101 L102Y35-Y98 AromaticContact CE1-CE1 3.96Å; Y35-Y98 HydrophobicContact CE1-CE1 3.96Å; Y64-Y98 HydrophobicContact CE1-CE1 4.44Å; Y64-Y98 AromaticContact CE1-CZ 3.85Å; Y64-Y98 WeakPolarHBondContact CE1-OH 3.43Å; Y64-Y98 PolarHBondContact OH-OH 2.91Å; C94-Y98 PolarHBondContact O-N 3.17Å; W95-Y98 HydrophobicContact CE3-CD1 4.39Å; W95-Y98 HydrophobicContact CZ3-CD1 4.33Å; W95-Y98 PolarHBondContact O-N 3.21Å; Y98-L101 WeakPolarHBondContact O-CB 3.41Å; Y98-L101 PolarHBondContact O-N 2.65Å; Y98-L101 VanDerWaalsContact O-N 3.16Å; Y98-L102 HydrophobicContact CD1-CD1 3.67Å; Y98-L102 HydrophobicContact CD1-CG 4.36Å; Y98-L102 HydrophobicContact CE1-CD1 3.18Å; Y98-L102 HydrophobicContact CE1-CD2 4.46Å; Y98-L102 HydrophobicContact CE1-CG 3.94Å; Y98-L102 PolarHBondContact O-N 2.93Å; Y98-L102 VanDerWaalsContact O-N 3.1Å
99W63.2Low66Low26 Ų2698.4 Ų98.410%0.09849%0.489CS..Hα-helixtrans-68.5-37.5176.7-73.6103.7000112.1Y36 S39 L40 F57 W95 L101 L102 F103Y36-W99 AromaticContact CD2-CZ3 3.82Å; Y36-W99 HydrophobicContact CD2-CZ3 3.82Å; Y36-W99 HydrophobicContact CE2-CE3 4.42Å; Y36-W99 AromaticContact CE2-CZ3 3.78Å; Y36-W99 HydrophobicContact CE2-CZ3 3.78Å; S39-W99 WeakPolarHBondContact OG-CH2 3.46Å; S39-W99 WeakPolarHBondContact OG-CZ2 3.43Å; L40-W99 HydrophobicContact CD2-CZ3 4.47Å; F57-W99 AromaticContact CE2-CZ2 3.74Å; F57-W99 HydrophobicContact CE2-CZ2 3.74Å; F57-W99 AromaticContact CZ-CE2 4Å; F57-W99 AromaticContact CZ-CZ2 3.82Å; F57-W99 HydrophobicContact CZ-CZ2 3.82Å; F57-W99 AromaticContact CZ-NE1 3.56Å; W95-W99 AromaticContact CE3-NE1 3.96Å; W95-W99 PolarHBondContact O-N 2.95Å; W99-L101 PolarHBondContact O-N 2.94Å; W99-L102 HydrophobicContact CD2-CD1 4.45Å; W99-L102 HydrophobicContact CE3-CD1 4.2Å; W99-L102 PolarHBondContact O-N 2.95Å; W99-F103 HydrophobicContact CB-CD2 4.45Å; W99-F103 HydrophobicContact CD2-CE2 4.27Å; W99-F103 AromaticContact CE3-CD2 4Å; W99-F103 HydrophobicContact CE3-CD2 4Å; W99-F103 AromaticContact CE3-CE2 3.23Å; W99-F103 HydrophobicContact CE3-CE2 3.23Å; W99-F103 AromaticContact CE3-CZ 3.96Å; W99-F103 HydrophobicContact CE3-CZ 3.96Å; W99-F103 AromaticContact CZ3-CE2 3.64Å; W99-F103 HydrophobicContact CZ3-CE2 3.64Å; W99-F103 AromaticContact CZ3-CZ 3.88Å; W99-F103 HydrophobicContact CZ3-CZ 3.88Å; W99-F103 VanDerWaalsContact O-CD2 3.31Å; W99-F103 WeakPolarHBondContact O-CD2 3.19Å; W99-F103 PolarHBondContact O-N 2.96Å
100R66.8Low67.3Low165 Ų165100.6 Ų100.662%0.62350%0.501SS*.Hα-helixtrans-60.4-25.6171-77.7177-175.4179.23.5113.3E96 E97E96-R100 WeakPolarHBondContact O-CB 3.38Å; E96-R100 VanDerWaalsContact O-CG 3.23Å; E96-R100 WeakPolarHBondContact O-CG 3.48Å; E96-R100 PolarHBondContact O-N 3.35Å; E96-R100 IonicContact OE1-CZ 2.94Å; E96-R100 IonicContact OE1-NE 3.7Å; E96-R100 IonicContact OE1-NH2 2.77Å; E96-R100 PolarHBondContact OE1-NH2 3.45Å; E97-R100 PolarHBondContact O-N 3.33Å
101L63Low68.6Low140 Ų140101.4 Ų101.473%0.73350%0.498SS*.Hα-helixtrans-84.1-25.5173.7-67.8170.8000113.2E97 Y98 W99E97-L101 WeakPolarHBondContact O-CG 3.42Å; E97-L101 PolarHBondContact O-N 3.14Å; Y98-L101 WeakPolarHBondContact O-CB 3.41Å; Y98-L101 PolarHBondContact O-N 2.65Å; Y98-L101 VanDerWaalsContact O-N 3.16Å; W99-L101 PolarHBondContact O-N 2.94Å
102L61.8Low70.3Confident34 Ų3498.5 Ų98.518%0.17849%0.486CS..Hα-helixtrans-81.3-39.6-179.2-78.4172.4000113R32 Y98 W99R32-L102 HydrophobicContact CG-CD2 4.31Å; Y98-L102 HydrophobicContact CD1-CD1 3.67Å; Y98-L102 HydrophobicContact CD1-CG 4.36Å; Y98-L102 HydrophobicContact CE1-CD1 3.18Å; Y98-L102 HydrophobicContact CE1-CD2 4.46Å; Y98-L102 HydrophobicContact CE1-CG 3.94Å; Y98-L102 PolarHBondContact O-N 2.93Å; Y98-L102 VanDerWaalsContact O-N 3.1Å; W99-L102 HydrophobicContact CD2-CD1 4.45Å; W99-L102 HydrophobicContact CE3-CD1 4.2Å; W99-L102 PolarHBondContact O-N 2.95Å
103F67Low72.1Confident85 Ų8596.3 Ų96.337%0.37347%0.471SS..SBendtrans-85.1136.8178.7-70.8-77.8000110.5Y36 W99 K105Y36-F103 HydrophobicContact CE2-CD1 4.39Å; Y36-F103 AromaticContact CE2-CE1 3.64Å; Y36-F103 HydrophobicContact CE2-CE1 3.64Å; Y36-F103 HydrophobicContact CE2-CE2 4.18Å; Y36-F103 AromaticContact CE2-CZ 3.47Å; Y36-F103 HydrophobicContact CE2-CZ 3.47Å; Y36-F103 VanDerWaalsContact CE2-CZ 3.47Å; Y36-F103 AromaticContact CZ-CE1 3.69Å; Y36-F103 AromaticContact CZ-CZ 3.87Å; Y36-F103 WeakPolarHBondContact OH-CE1 3.44Å; Y36-F103 WeakPolarHBondContact OH-CZ 2.89Å; W99-F103 HydrophobicContact CB-CD2 4.45Å; W99-F103 HydrophobicContact CD2-CE2 4.27Å; W99-F103 AromaticContact CE3-CD2 4Å; W99-F103 HydrophobicContact CE3-CD2 4Å; W99-F103 AromaticContact CE3-CE2 3.23Å; W99-F103 HydrophobicContact CE3-CE2 3.23Å; W99-F103 AromaticContact CE3-CZ 3.96Å; W99-F103 HydrophobicContact CE3-CZ 3.96Å; W99-F103 AromaticContact CZ3-CE2 3.64Å; W99-F103 HydrophobicContact CZ3-CE2 3.64Å; W99-F103 AromaticContact CZ3-CZ 3.88Å; W99-F103 HydrophobicContact CZ3-CZ 3.88Å; W99-F103 VanDerWaalsContact O-CD2 3.31Å; W99-F103 WeakPolarHBondContact O-CD2 3.19Å; W99-F103 PolarHBondContact O-N 2.96Å; F103-K105 PolarHBondContact O-N 3.21Å
104P74.2Confident73.7Confident109 Ų10997.3 Ų97.371%0.70848%0.477SS*.  trans-56.8136.516825.2-31.5000108.4I106P104-I106 PolarHBondContact O-N 2.98Å
105K76.7Confident75.4Confident182 Ų18296.8 Ų96.879%0.79147%0.468SS*.  trans-63.7110.7173.6-67.7-174.4179-176.30107.4F103 T107F103-K105 PolarHBondContact O-N 3.21Å; K105-T107 PolarHBondContact O-N 3.39Å
106I81.6Confident76.9Confident129 Ų129101.8 Ų101.866%0.66249%0.491SS*.  trans-67.1117.7173.9-61.1173.3000106.4P104 D110 I111P104-I106 PolarHBondContact O-N 2.98Å; I106-D110 HydrophobicContact CG2-CB 4.27Å; I106-I111 HydrophobicContact CG2-CD1 4.18Å; I106-I111 HydrophobicContact CG2-CG1 3.79Å
107T86.3Confident78.6Confident60 Ų60104 Ų10437%0.36850%0.5SS..  trans-90160.8175.967.70000110.1K105 Q109 D110 I111K105-T107 PolarHBondContact O-N 3.39Å; T107-Q109 PolarHBondContact O-N 3Å; T107-Q109 PolarHBondContact OG1-N 2.82Å; T107-D110 WeakPolarHBondContact CB-OD2 3.5Å; T107-D110 PolarHBondContact N-OD2 3.32Å; T107-D110 PolarHBondContact O-N 2.76Å; T107-D110 VanDerWaalsContact O-N 3.11Å; T107-D110 VanDerWaalsContact OG1-CG 3.22Å; T107-D110 PolarHBondContact OG1-N 3.3Å; T107-D110 PolarHBondContact OG1-OD2 3.04Å; T107-I111 PolarHBondContact O-N 3.37Å
108V83Confident80.2Confident83 Ų8398.2 Ų98.250%0.50347%0.472SS..Hα-helixtrans-56-32.4170.6-179.10000111.1I111 L112V108-I111 PolarHBondContact O-N 3.33Å; V108-L112 HydrophobicContact CG1-CD1 4.2Å; V108-L112 HydrophobicContact CG1-CG 4.48Å; V108-L112 WeakPolarHBondContact O-CG 3.45Å; V108-L112 PolarHBondContact O-N 2.93Å; V108-L112 VanDerWaalsContact O-N 3.07Å
109Q85.6Confident81.4Confident141 Ų14199 Ų9966%0.65948%0.476SS*.Hα-helixtrans-65.2-43.1177-64.5-1781.100112T107 I111 L112 E113T107-Q109 PolarHBondContact O-N 3Å; T107-Q109 PolarHBondContact OG1-N 2.82Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 2.93Å; Q109-L112 PolarHBondContact O-N 3.22Å; Q109-E113 WeakPolarHBondContact O-CG 3.35Å; Q109-E113 PolarHBondContact O-N 3.35Å
110D86.5Confident82.6Confident74 Ų74100.9 Ų100.940%0.39650%0.503SS..Hα-helixtrans-60.6-38.2177.3-59.2-55.3000111.5I106 T107 E113 F114I106-D110 HydrophobicContact CG2-CB 4.27Å; T107-D110 WeakPolarHBondContact CB-OD2 3.5Å; T107-D110 PolarHBondContact N-OD2 3.32Å; T107-D110 PolarHBondContact O-N 2.76Å; T107-D110 VanDerWaalsContact O-N 3.11Å; T107-D110 VanDerWaalsContact OG1-CG 3.22Å; T107-D110 PolarHBondContact OG1-N 3.3Å; T107-D110 PolarHBondContact OG1-OD2 3.04Å; D110-E113 PolarHBondContact O-N 3.09Å; D110-F114 VanDerWaalsContact O-CB 3.31Å; D110-F114 WeakPolarHBondContact O-CB 3.37Å; D110-F114 PolarHBondContact O-N 2.79Å
111I88.3Confident83.8Confident95 Ų9594.5 Ų94.549%0.48748%0.484SS..Hα-helixtrans-65.4-45.6176.7-61.3171.5000110.5I106 T107 V108 Q109 F114 E115I106-I111 HydrophobicContact CG2-CD1 4.18Å; I106-I111 HydrophobicContact CG2-CG1 3.79Å; T107-I111 PolarHBondContact O-N 3.37Å; V108-I111 PolarHBondContact O-N 3.33Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 2.93Å; I111-F114 PolarHBondContact O-N 3.38Å; I111-E115 WeakPolarHBondContact O-CB 2.88Å; I111-E115 PolarHBondContact O-N 2.64Å
112L89.1Confident85.2Confident83 Ų8393.8 Ų93.844%0.43548%0.481SS..Hα-helixtrans-66.6-36.4178.6-68.5172.2000112.3V108 Q109 K116V108-L112 HydrophobicContact CG1-CD1 4.2Å; V108-L112 HydrophobicContact CG1-CG 4.48Å; V108-L112 WeakPolarHBondContact O-CG 3.45Å; V108-L112 PolarHBondContact O-N 2.93Å; V108-L112 VanDerWaalsContact O-N 3.07Å; Q109-L112 PolarHBondContact O-N 3.22Å; L112-K116 VanDerWaalsContact O-CG 3.3Å; L112-K116 WeakPolarHBondContact O-CG 3.37Å; L112-K116 PolarHBondContact O-N 3.29Å; L112-K116 VanDerWaalsContact O-N 3.11Å
113E91.1Very high86.7Confident125 Ų12597.6 Ų97.658%0.58450%0.498SS*.Hα-helixtrans-66.8-43.6173.8-75.3-175.9-175.600111.5Q109 D110 K116 K117Q109-E113 WeakPolarHBondContact O-CG 3.35Å; Q109-E113 PolarHBondContact O-N 3.35Å; D110-E113 PolarHBondContact O-N 3.09Å; E113-K116 PolarHBondContact O-N 3.34Å; E113-K117 WeakPolarHBondContact O-CB 3.49Å; E113-K117 PolarHBondContact O-N 3.36Å
114F90.9Very high87.9Confident99 Ų9993.7 Ų93.743%0.43448%0.481SS..Hα-helixtrans-59.5-47.1174.1177.3-92.4000111.4D110 I111 K116 K117 Y118 L147D110-F114 VanDerWaalsContact O-CB 3.31Å; D110-F114 WeakPolarHBondContact O-CB 3.37Å; D110-F114 PolarHBondContact O-N 2.79Å; I111-F114 PolarHBondContact O-N 3.38Å; F114-K116 VanDerWaalsContact C-N 3.33Å; F114-K116 PolarHBondContact O-N 3.3Å; F114-K117 PolarHBondContact O-N 3.4Å; F114-K117 VanDerWaalsContact O-N 3.14Å; F114-Y118 HydrophobicContact CE1-CG 4.43Å; F114-Y118 HydrophobicContact CZ-CD2 4.38Å; F114-Y118 HydrophobicContact CZ-CG 4.49Å; F114-Y118 WeakPolarHBondContact O-CB 3.47Å; F114-Y118 PolarHBondContact O-N 3.49Å; F114-L147 HydrophobicContact CE1-CD2 3.66Å; F114-L147 HydrophobicContact CE1-CG 4.33Å; F114-L147 HydrophobicContact CZ-CD2 3.78Å
115E89.8Confident88.8Confident59 Ų5992.4 Ų92.428%0.27646%0.462SS..Hα-helixtrans-57.1-45.8177.7-179-179.4175.700111.7I111 K117 Y118 K119 C148I111-E115 WeakPolarHBondContact O-CB 2.88Å; I111-E115 PolarHBondContact O-N 2.64Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 3.04Å; E115-Y118 PolarHBondContact O-N 3.07Å; E115-K119 HydrophobicContact CG-CD 3.89Å; E115-K119 HydrophobicContact CG-CG 4.34Å; E115-K119 WeakPolarHBondContact O-CB 3.5Å; E115-K119 WeakPolarHBondContact O-CG 3.22Å; E115-K119 PolarHBondContact O-N 3.18Å; E115-K119 WeakPolarHBondContact OE1-CE 3.45Å; E115-K119 IonicContact OE1-NZ 2.63Å; E115-K119 PolarHBondContact OE1-NZ 3.41Å; E115-C148 HydrophobicContact CG-CB 4.12Å
116K91.1Very high89.6Confident165 Ų16589 Ų8972%0.71745%0.449SS*.Hα-helixtrans-63.2-37.3177.8-74.7171-175.5172.20112.8L112 E113 F114L112-K116 VanDerWaalsContact O-CG 3.3Å; L112-K116 WeakPolarHBondContact O-CG 3.37Å; L112-K116 PolarHBondContact O-N 3.29Å; L112-K116 VanDerWaalsContact O-N 3.11Å; E113-K116 PolarHBondContact O-N 3.34Å; F114-K116 VanDerWaalsContact C-N 3.33Å; F114-K116 PolarHBondContact O-N 3.3Å
117K92.5Very high90.2Very high165 Ų16585 Ų8572%0.71743%0.429SS*.Hα-helixtrans-73.7-39.7179.4-175.9-176.5172.8-167.30111.6E113 F114 E115E113-K117 WeakPolarHBondContact O-CB 3.49Å; E113-K117 PolarHBondContact O-N 3.36Å; F114-K117 PolarHBondContact O-N 3.4Å; F114-K117 VanDerWaalsContact O-N 3.14Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 3.04Å
118Y92.4Very high90.5Very high7 Ų782.2 Ų82.23%0.02741%0.412CS..Hα-helixtrans-73.3-43.6-177.5177.3-96.9000111.8F114 E115 G120 S121 E123 E124 D127 L147 C148F114-Y118 HydrophobicContact CE1-CG 4.43Å; F114-Y118 HydrophobicContact CZ-CD2 4.38Å; F114-Y118 HydrophobicContact CZ-CG 4.49Å; F114-Y118 WeakPolarHBondContact O-CB 3.47Å; F114-Y118 PolarHBondContact O-N 3.49Å; E115-Y118 PolarHBondContact O-N 3.07Å; Y118-G120 PolarHBondContact O-N 2.83Å; Y118-S121 VanDerWaalsContact O-CB 3.24Å; Y118-S121 WeakPolarHBondContact O-CB 3.46Å; Y118-S121 PolarHBondContact O-N 2.86Å; Y118-S121 PolarHBondContact O-OG 3.21Å; Y118-E123 HydrophobicContact CE2-CB 4.45Å; Y118-E124 HydrophobicContact CD1-CB 4.24Å; Y118-E124 HydrophobicContact CD1-CG 4.42Å; Y118-E124 HydrophobicContact CD2-CB 4.43Å; Y118-E124 HydrophobicContact CE1-CB 3.78Å; Y118-E124 HydrophobicContact CE1-CG 3.71Å; Y118-E124 HydrophobicContact CE2-CB 4Å; Y118-E124 WeakPolarHBondContact O-CB 3.32Å; Y118-D127 WeakPolarHBondContact OH-CB 3.44Å; Y118-D127 PolarHBondContact OH-OD2 2.83Å; Y118-L147 HydrophobicContact CD2-CD2 4.4Å; Y118-L147 HydrophobicContact CE1-CB 4Å; Y118-L147 HydrophobicContact CE1-CG 4.39Å; Y118-L147 WeakPolarHBondContact CE1-O 3.31Å; Y118-L147 HydrophobicContact CE2-CD2 4.18Å; Y118-C148 HydrophobicContact CD1-CB 4.07Å; Y118-C148 HydrophobicContact CE1-CB 4.44Å
119K89.6Confident91Very high53 Ų5379.2 Ų79.223%0.2339%0.393CS..THydrogen-bonded Turntrans-65120.4-179.6-72.8-176.2172.4-175.60111.8E115 S121 C148 D153E115-K119 HydrophobicContact CG-CD 3.89Å; E115-K119 HydrophobicContact CG-CG 4.34Å; E115-K119 WeakPolarHBondContact O-CB 3.5Å; E115-K119 WeakPolarHBondContact O-CG 3.22Å; E115-K119 PolarHBondContact O-N 3.18Å; E115-K119 WeakPolarHBondContact OE1-CE 3.45Å; E115-K119 IonicContact OE1-NZ 2.63Å; E115-K119 PolarHBondContact OE1-NZ 3.41Å; K119-S121 VanDerWaalsContact C-N 3.33Å; K119-C148 WeakPolarHBondContact CE-O 3.33Å; K119-C148 PolarHBondContact NZ-O 2.81Å; K119-D153 WeakPolarHBondContact CE-OD2 3.42Å; K119-D153 IonicContact NZ-OD1 3.53Å; K119-D153 IonicContact NZ-OD2 2.75Å; K119-D153 PolarHBondContact NZ-OD2 3.07Å
120G87.6Confident91.4Very high65 Ų6579.3 Ų79.367%0.6739%0.387SS*.THydrogen-bonded Turntrans84.25.2-177.600000114.2Y118 E124Y118-G120 PolarHBondContact O-N 2.83Å; G120-E124 PolarHBondContact N-OE2 3.12Å
121S92.7Very high91.7Very high31 Ų3176.8 Ų76.822%0.21737%0.373CS..SBendtrans-79.6165.9175.371.60000112.5Y118 K119 E123 E124 R125Y118-S121 VanDerWaalsContact O-CB 3.24Å; Y118-S121 WeakPolarHBondContact O-CB 3.46Å; Y118-S121 PolarHBondContact O-N 2.86Å; Y118-S121 PolarHBondContact O-OG 3.21Å; K119-S121 VanDerWaalsContact C-N 3.33Å; S121-E123 VanDerWaalsContact C-N 3.29Å; S121-E123 PolarHBondContact OG-N 3.49Å; S121-E124 PolarHBondContact O-N 2.96Å; S121-E124 PolarHBondContact OG-N 2.9Å; S121-R125 PolarHBondContact O-N 3.47Å
122D91.8Very high92Very high125 Ų12572.3 Ų72.367%0.66835%0.35SS*.Hα-helixtrans-66.3-33.1171.6-65.3-36.9000111.7E124 R125 E126D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.16Å; D122-R125 WeakPolarHBondContact O-CB 3.41Å; D122-R125 PolarHBondContact O-N 3.37Å; D122-R125 VanDerWaalsContact O-N 3.16Å; D122-E126 WeakPolarHBondContact O-CG 3.46Å; D122-E126 PolarHBondContact O-N 3.43Å
123E92.1Very high92.2Very high115 Ų11572.1 Ų72.154%0.53735%0.353SS..Hα-helixtrans-58.8-47176.4-65.3178.4-177.300110.7Y118 S121 R125 E126 D127Y118-E123 HydrophobicContact CE2-CB 4.45Å; S121-E123 VanDerWaalsContact C-N 3.29Å; S121-E123 PolarHBondContact OG-N 3.49Å; E123-R125 VanDerWaalsContact C-N 3.33Å; E123-R125 PolarHBondContact O-N 2.84Å; E123-E126 PolarHBondContact O-N 3.42Å; E123-D127 WeakPolarHBondContact O-CB 3.29Å; E123-D127 PolarHBondContact O-N 3.11Å
124E93.7Very high92.4Very high2 Ų272.4 Ų72.41%0.00935%0.354CS..Hα-helixtrans-63-41.6176.6178.4-176.5-144.400112Y118 G120 S121 D122 E126 D127 V128 R156Y118-E124 HydrophobicContact CD1-CB 4.24Å; Y118-E124 HydrophobicContact CD1-CG 4.42Å; Y118-E124 HydrophobicContact CD2-CB 4.43Å; Y118-E124 HydrophobicContact CE1-CB 3.78Å; Y118-E124 HydrophobicContact CE1-CG 3.71Å; Y118-E124 HydrophobicContact CE2-CB 4Å; Y118-E124 WeakPolarHBondContact O-CB 3.32Å; G120-E124 PolarHBondContact N-OE2 3.12Å; S121-E124 PolarHBondContact O-N 2.96Å; S121-E124 PolarHBondContact OG-N 2.9Å; D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.16Å; E124-E126 VanDerWaalsContact C-N 3.29Å; E124-E126 PolarHBondContact O-N 2.86Å; E124-D127 PolarHBondContact O-N 3.32Å; E124-V128 HydrophobicContact CG-CG2 4.03Å; E124-V128 WeakPolarHBondContact O-CB 3.36Å; E124-V128 WeakPolarHBondContact O-CG2 3.37Å; E124-V128 PolarHBondContact O-N 3.11Å; E124-R156 IonicContact OE1-CZ 3.74Å; E124-R156 IonicContact OE1-NH1 3.41Å; E124-R156 PolarHBondContact OE1-NH1 3.08Å; E124-R156 IonicContact OE1-NH2 2.83Å; E124-R156 PolarHBondContact OE1-NH2 3.3Å; E124-R156 IonicContact OE2-CZ 3.11Å; E124-R156 IonicContact OE2-NH1 3.87Å; E124-R156 PolarHBondContact OE2-NH1 2.95Å; E124-R156 IonicContact OE2-NH2 3.22Å
125R93.1Very high92.5Very high83 Ų8370.1 Ų70.131%0.31335%0.345SS..Hα-helixtrans-58.1-46.4177.7170.6-179.7169.7-74.92.4110.6S121 D122 E123 V128 I129 I160 E169S121-R125 PolarHBondContact O-N 3.47Å; D122-R125 WeakPolarHBondContact O-CB 3.41Å; D122-R125 PolarHBondContact O-N 3.37Å; D122-R125 VanDerWaalsContact O-N 3.16Å; E123-R125 VanDerWaalsContact C-N 3.33Å; E123-R125 PolarHBondContact O-N 2.84Å; R125-V128 PolarHBondContact O-N 3.5Å; R125-I129 HydrophobicContact CG-CD1 3.85Å; R125-I129 WeakPolarHBondContact O-CB 3.21Å; R125-I129 WeakPolarHBondContact O-CD1 3.4Å; R125-I129 VanDerWaalsContact O-CG1 3.23Å; R125-I129 WeakPolarHBondContact O-CG1 3.41Å; R125-I129 PolarHBondContact O-N 2.99Å; R125-I160 HydrophobicContact CB-CG2 4.27Å; R125-I160 HydrophobicContact CG-CG2 3.96Å; R125-E169 IonicContact CZ-OE1 2.82Å; R125-E169 IonicContact CZ-OE2 3.2Å; R125-E169 IonicContact NH1-OE1 2.67Å; R125-E169 PolarHBondContact NH1-OE1 2.85Å; R125-E169 IonicContact NH2-OE1 3.68Å; R125-E169 PolarHBondContact NH2-OE1 2.95Å; R125-E169 IonicContact NH2-OE2 3.94Å; R125-E169 PolarHBondContact NH2-OE2 3.38Å
126E93.2Very high92.6Very high110 Ų11073.8 Ų73.851%0.51436%0.361SS..Hα-helixtrans-63.6-43177.7-70.9-180-176.600112.1D122 E123 E124 I129 R130D122-E126 WeakPolarHBondContact O-CG 3.46Å; D122-E126 PolarHBondContact O-N 3.43Å; E123-E126 PolarHBondContact O-N 3.42Å; E124-E126 VanDerWaalsContact C-N 3.29Å; E124-E126 PolarHBondContact O-N 2.86Å; E126-I129 PolarHBondContact O-N 3Å; E126-R130 VanDerWaalsContact O-CB 3.29Å; E126-R130 WeakPolarHBondContact O-CB 3.35Å; E126-R130 PolarHBondContact O-N 3.1Å
127D93.7Very high92.5Very high46 Ų4665.9 Ų65.925%0.24633%0.327CS..Hα-helixtrans-64-43.1177.7-75.8-16.3000111.9Y118 E123 E124 I129 R130 L131Y118-D127 WeakPolarHBondContact OH-CB 3.44Å; Y118-D127 PolarHBondContact OH-OD2 2.83Å; E123-D127 WeakPolarHBondContact O-CB 3.29Å; E123-D127 PolarHBondContact O-N 3.11Å; E124-D127 PolarHBondContact O-N 3.32Å; D127-I129 PolarHBondContact O-N 3.18Å; D127-R130 WeakPolarHBondContact O-CB 3.43Å; D127-R130 PolarHBondContact O-N 3.21Å; D127-R130 IonicContact OD1-CZ 3.54Å; D127-R130 IonicContact OD1-NE 2.56Å; D127-R130 IonicContact OD1-NH2 3.37Å; D127-R130 PolarHBondContact OD1-NH2 3.02Å; D127-L131 WeakPolarHBondContact O-CB 3.4Å; D127-L131 VanDerWaalsContact O-CG 3.3Å; D127-L131 WeakPolarHBondContact O-CG 3.23Å; D127-L131 PolarHBondContact O-N 3.12Å
128V92.8Very high92.4Very high1 Ų160.5 Ų60.51%0.00631%0.306CS..Hα-helixtrans-65.3-40.9177.2172.60000111.4E124 R125 R130 L131 Y132 L157 I160 I161E124-V128 HydrophobicContact CG-CG2 4.03Å; E124-V128 WeakPolarHBondContact O-CB 3.36Å; E124-V128 WeakPolarHBondContact O-CG2 3.37Å; E124-V128 PolarHBondContact O-N 3.11Å; R125-V128 PolarHBondContact O-N 3.5Å; V128-R130 VanDerWaalsContact C-N 3.34Å; V128-L131 PolarHBondContact O-N 3.15Å; V128-Y132 VanDerWaalsContact O-CB 3.27Å; V128-Y132 WeakPolarHBondContact O-CB 3.25Å; V128-Y132 PolarHBondContact O-N 3.12Å; V128-L157 HydrophobicContact CG1-CD2 4.46Å; V128-L157 HydrophobicContact CG2-CD2 3.54Å; V128-I160 HydrophobicContact CB-CG2 4.27Å; V128-I160 HydrophobicContact CG1-CB 4.42Å; V128-I160 HydrophobicContact CG1-CG2 4.06Å; V128-I161 HydrophobicContact CG1-CD1 3.99Å; V128-I161 HydrophobicContact CG1-CG1 3.68Å
129I93.2Very high92.1Very high20 Ų2060.2 Ų60.210%0.10331%0.305CS..Hα-helixtrans-63.3-43.2175.1-75168.7000110.6R125 E126 D127 Y132 V133 A164 V170R125-I129 HydrophobicContact CG-CD1 3.85Å; R125-I129 WeakPolarHBondContact O-CB 3.21Å; R125-I129 WeakPolarHBondContact O-CD1 3.4Å; R125-I129 VanDerWaalsContact O-CG1 3.23Å; R125-I129 WeakPolarHBondContact O-CG1 3.41Å; R125-I129 PolarHBondContact O-N 2.99Å; E126-I129 PolarHBondContact O-N 3Å; D127-I129 PolarHBondContact O-N 3.18Å; I129-Y132 WeakPolarHBondContact O-CB 3.14Å; I129-Y132 PolarHBondContact O-N 3.24Å; I129-V133 WeakPolarHBondContact O-CG2 3.39Å; I129-V133 PolarHBondContact O-N 2.84Å; I129-A164 HydrophobicContact CD1-CB 3.93Å; I129-A164 HydrophobicContact CG1-CB 4.04Å; I129-V170 HydrophobicContact CG2-CG1 3.68Å
130R94.1Very high92Very high142 Ų14259.2 Ų59.254%0.53630%0.302SS..Hα-helixtrans-61.1-47.9177.1-170.8-167.1-34.2-148.22.4111.6E126 D127 V128 Y132 V133 Q134E126-R130 VanDerWaalsContact O-CB 3.29Å; E126-R130 WeakPolarHBondContact O-CB 3.35Å; E126-R130 PolarHBondContact O-N 3.1Å; D127-R130 WeakPolarHBondContact O-CB 3.43Å; D127-R130 PolarHBondContact O-N 3.21Å; D127-R130 IonicContact OD1-CZ 3.54Å; D127-R130 IonicContact OD1-NE 2.56Å; D127-R130 IonicContact OD1-NH2 3.37Å; D127-R130 PolarHBondContact OD1-NH2 3.02Å; V128-R130 VanDerWaalsContact C-N 3.34Å; R130-Y132 VanDerWaalsContact C-N 3.3Å; R130-Y132 PolarHBondContact O-N 3.45Å; R130-V133 PolarHBondContact O-N 3.38Å; R130-Q134 WeakPolarHBondContact O-CB 3.38Å; R130-Q134 PolarHBondContact O-N 2.95Å
131L93.8Very high92Very high21 Ų2157.3 Ų57.311%0.1128%0.281CS..Hα-helixtrans-63.4-37.2176-71.3173.6000111.8D127 V128 V133 Q134 H135 I142 A146D127-L131 WeakPolarHBondContact O-CB 3.4Å; D127-L131 VanDerWaalsContact O-CG 3.3Å; D127-L131 WeakPolarHBondContact O-CG 3.23Å; D127-L131 PolarHBondContact O-N 3.12Å; V128-L131 PolarHBondContact O-N 3.15Å; L131-V133 PolarHBondContact O-N 3.35Å; L131-Q134 PolarHBondContact O-N 3.11Å; L131-H135 WeakPolarHBondContact O-CB 3.32Å; L131-H135 PolarHBondContact O-CD2 2.79Å; L131-H135 PolarHBondContact O-N 3.17Å; L131-I142 HydrophobicContact CB-CG1 4.36Å; L131-I142 HydrophobicContact CB-CG2 4.19Å; L131-A146 HydrophobicContact CD1-CB 3.87Å
132Y93.1Very high91.9Very high1 Ų155.9 Ų55.90%0.00427%0.27CS..Hα-helixtrans-60.3-44.3176.1177.7-103.6000112.3V128 I129 R130 E136 G137 I142 I161 V170 E171 F173 F176V128-Y132 VanDerWaalsContact O-CB 3.27Å; V128-Y132 WeakPolarHBondContact O-CB 3.25Å; V128-Y132 PolarHBondContact O-N 3.12Å; I129-Y132 WeakPolarHBondContact O-CB 3.14Å; I129-Y132 PolarHBondContact O-N 3.24Å; R130-Y132 VanDerWaalsContact C-N 3.3Å; R130-Y132 PolarHBondContact O-N 3.45Å; Y132-E136 PolarHBondContact O-N 3.37Å; Y132-E136 VanDerWaalsContact O-N 3.13Å; Y132-G137 PolarHBondContact O-N 2.96Å; Y132-I142 HydrophobicContact CD2-CD1 3.97Å; Y132-I161 HydrophobicContact CD1-CG2 4.36Å; Y132-I161 HydrophobicContact CD2-CB 4.5Å; Y132-I161 HydrophobicContact CD2-CD1 3.9Å; Y132-I161 HydrophobicContact CD2-CG1 4.19Å; Y132-I161 HydrophobicContact CD2-CG2 3.49Å; Y132-I161 VanDerWaalsContact CD2-CG2 3.49Å; Y132-I161 HydrophobicContact CE1-CG2 4.29Å; Y132-I161 HydrophobicContact CE2-CG2 3.4Å; Y132-I161 VanDerWaalsContact CE2-CG2 3.4Å; Y132-I161 HydrophobicContact CG-CD1 4.49Å; Y132-I161 HydrophobicContact CG-CG1 4.43Å; Y132-I161 HydrophobicContact CG-CG2 3.98Å; Y132-V170 HydrophobicContact CD1-CB 4.17Å; Y132-V170 HydrophobicContact CD1-CG1 4.45Å; Y132-V170 HydrophobicContact CD1-CG2 4.04Å; Y132-V170 HydrophobicContact CE1-CB 4.11Å; Y132-V170 HydrophobicContact CE1-CG2 3.89Å; Y132-E171 VanDerWaalsContact CE1-O 3.31Å; Y132-E171 WeakPolarHBondContact CE1-O 3.2Å; Y132-E171 PolarHBondContact OH-O 3.1Å; Y132-F173 HydrophobicContact CD1-CD2 4.14Å; Y132-F173 HydrophobicContact CD1-CE2 4.18Å; Y132-F173 AromaticContact CE1-CD2 3.48Å; Y132-F173 HydrophobicContact CE1-CD2 3.48Å; Y132-F173 VanDerWaalsContact CE1-CD2 3.48Å; Y132-F173 AromaticContact CE1-CE2 3.81Å; Y132-F173 HydrophobicContact CE1-CE2 3.81Å; Y132-F173 HydrophobicContact CE2-CD2 4.19Å; Y132-F173 AromaticContact CZ-CD2 3.5Å; Y132-F173 PolarHBondContact OH-N 3.05Å; Y132-F176 HydrophobicContact CE2-CB 3.77Å; Y132-F176 HydrophobicContact CE2-CD1 4.27Å; Y132-F176 HydrophobicContact CE2-CD2 4.18Å; Y132-F176 AromaticContact CE2-CG 3.83Å; Y132-F176 HydrophobicContact CE2-CG 3.83Å
133V94.3Very high91.7Very high80 Ų8051.4 Ų51.449%0.48525%0.247SC..Hα-helixtrans-68.8-45.1175.3175.50000111I129 R130 L131 H135 E136 V170I129-V133 WeakPolarHBondContact O-CG2 3.39Å; I129-V133 PolarHBondContact O-N 2.84Å; R130-V133 PolarHBondContact O-N 3.38Å; L131-V133 PolarHBondContact O-N 3.35Å; V133-H135 VanDerWaalsContact C-N 3.29Å; V133-H135 PolarHBondContact O-N 3.05Å; V133-E136 PolarHBondContact O-N 3.26Å; V133-V170 HydrophobicContact CG2-CG1 4.11Å
134Q94.4Very high91.4Very high130 Ų13050 Ų5061%0.60726%0.256SS*.Hα-helixtrans-60.6-36.6-178.9-177.7177.1-2.500113.1R130 L131R130-Q134 WeakPolarHBondContact O-CB 3.38Å; R130-Q134 PolarHBondContact O-N 2.95Å; L131-Q134 PolarHBondContact O-N 3.11Å
135H94.1Very high91.1Very high52 Ų5253 Ų5324%0.24128%0.277CS..THydrogen-bonded Turntrans-105.614.6-177.8-64.1-63.2000113.7L131 V133 G137 D138 A141 I142L131-H135 WeakPolarHBondContact O-CB 3.32Å; L131-H135 PolarHBondContact O-CD2 2.79Å; L131-H135 PolarHBondContact O-N 3.17Å; V133-H135 VanDerWaalsContact C-N 3.29Å; V133-H135 PolarHBondContact O-N 3.05Å; H135-G137 PolarHBondContact O-N 2.86Å; H135-D138 PolarHBondContact O-N 2.96Å; H135-A141 HydrophobicContact CB-CB 3.95Å; H135-I142 HydrophobicContact CB-CG1 4.12Å
136E92Very high90.8Very high135 Ų13549.6 Ų49.663%0.63127%0.267SS*.THydrogen-bonded Turntrans49.337.6177.5-57.1-177.3174.500113.2Y132 V133 D138 F173Y132-E136 PolarHBondContact O-N 3.37Å; Y132-E136 VanDerWaalsContact O-N 3.13Å; V133-E136 PolarHBondContact O-N 3.26Å; E136-D138 PolarHBondContact O-N 3.45Å; E136-F173 VanDerWaalsContact C-CD2 3.44Å; E136-F173 VanDerWaalsContact C-CG 3.45Å; E136-F173 HydrophobicContact CB-CD1 4.13Å; E136-F173 HydrophobicContact CB-CE1 4.28Å; E136-F173 HydrophobicContact CB-CG 4.32Å; E136-F173 HydrophobicContact CG-CE1 4.43Å; E136-F173 WeakPolarHBondContact O-CB 3.35Å; E136-F173 WeakPolarHBondContact O-CG 3.37Å
137G88.1Confident90.6Very high0 Ų048.5 Ų48.50%026%0.264CS..THydrogen-bonded Turntrans73.516.8-179.700000116.9Y132 H135 M139 F176Y132-G137 PolarHBondContact O-N 2.96Å; H135-G137 PolarHBondContact O-N 2.86Å; G137-M139 PolarHBondContact O-N 3.4Å; G137-F176 WeakPolarHBondContact O-CA 3.37Å; G137-F176 WeakPolarHBondContact O-CB 3.28Å; G137-F176 PolarHBondContact O-N 3.43Å
138D89.9Confident90.1Very high51 Ų5148.1 Ų48.127%0.27326%0.264SS..  trans-75.4107.9169.1-169.39.9000111.7H135 E136 D140 A141 I142 K183H135-D138 PolarHBondContact O-N 2.96Å; E136-D138 PolarHBondContact O-N 3.45Å; D138-D140 VanDerWaalsContact C-N 3.28Å; D138-D140 PolarHBondContact O-N 3.43Å; D138-D140 PolarHBondContact OD1-N 3.08Å; D138-A141 HydrophobicContact CB-CB 4.43Å; D138-A141 PolarHBondContact O-N 3.35Å; D138-I142 WeakPolarHBondContact O-CD1 3.47Å; D138-I142 VanDerWaalsContact O-CG1 3.25Å; D138-I142 WeakPolarHBondContact O-CG1 3.07Å; D138-I142 PolarHBondContact O-N 3.01Å; D138-K183 IonicContact OD1-NZ 2.76Å; D138-K183 PolarHBondContact OD1-NZ 2.95Å
139M86.7Confident89.5Confident1 Ų149.6 Ų49.61%0.00528%0.275CS..Hα-helixtrans-63.6-30-177.3-73.7-58.3-57.800113.6G137 I142 T143 E154 L157 I161 F176G137-M139 PolarHBondContact O-N 3.4Å; M139-I142 PolarHBondContact O-N 3.23Å; M139-I142 HydrophobicContact SD-CD1 4.06Å; M139-T143 HydrophobicContact CE-CG2 4.24Å; M139-T143 WeakPolarHBondContact O-CB 3.41Å; M139-T143 WeakPolarHBondContact O-CG2 2.96Å; M139-T143 PolarHBondContact O-N 3.46Å; M139-T143 PolarHBondContact O-OG1 3.19Å; M139-E154 HydrophobicContact CE-CG 4.14Å; M139-L157 HydrophobicContact CE-CB 4.46Å; M139-I161 HydrophobicContact SD-CD1 3.79Å; M139-F176 HydrophobicContact CG-CD2 3.78Å; M139-F176 HydrophobicContact CG-CE2 4.1Å; M139-F176 HydrophobicContact SD-CD2 3.62Å; M139-F176 HydrophobicContact SD-CE2 3.55Å; M139-F176 VanDerWaalsContact SD-CE2 3.55Å
140D87.2Confident88.7Confident32 Ų3251.1 Ų51.117%0.17129%0.287CS..Hα-helixtrans-62.4-48.1177.1-75.6-65.1000111.2D138 T143 A144 K183 R187 R190D138-D140 VanDerWaalsContact C-N 3.28Å; D138-D140 PolarHBondContact O-N 3.43Å; D138-D140 PolarHBondContact OD1-N 3.08Å; D140-T143 PolarHBondContact O-N 3.18Å; D140-T143 PolarHBondContact O-OG1 3.43Å; D140-A144 WeakPolarHBondContact O-CB 3.38Å; D140-A144 PolarHBondContact O-N 2.92Å; D140-K183 WeakPolarHBondContact OD2-CE 3.48Å; D140-K183 IonicContact OD2-NZ 3.53Å; D140-K183 PolarHBondContact OD2-NZ 2.87Å; D140-R187 VanDerWaalsContact CG-NE 3.32Å; D140-R187 IonicContact OD1-CZ 3.65Å; D140-R187 IonicContact OD1-NE 2.84Å; D140-R187 PolarHBondContact OD1-NE 3.46Å; D140-R187 IonicContact OD1-NH2 3.19Å; D140-R187 PolarHBondContact OD1-NH2 3.19Å; D140-R187 IonicContact OD2-CZ 2.78Å; D140-R187 IonicContact OD2-NE 3.43Å; D140-R187 IonicContact OD2-NH2 2.95Å; D140-R187 PolarHBondContact OD2-NH2 3.39Å; D140-R190 IonicContact OD1-NH2 3.29Å; D140-R190 PolarHBondContact OD1-NH2 2.97Å
141A88.6Confident87.6Confident26 Ų2648.1 Ų48.122%0.21528%0.279CS..Hα-helixtrans-68.3-38.2179.400000112H135 D138 A144 S145H135-A141 HydrophobicContact CB-CB 3.95Å; D138-A141 HydrophobicContact CB-CB 4.43Å; D138-A141 PolarHBondContact O-N 3.35Å; A141-A144 PolarHBondContact O-N 2.94Å; A141-S145 WeakPolarHBondContact O-CB 3.2Å; A141-S145 PolarHBondContact O-N 3.16Å; A141-S145 VanDerWaalsContact O-N 3.11Å; A141-S145 PolarHBondContact O-OG 2.88Å
142I90.3Very high86.8Confident0 Ų054.5 Ų54.50%031%0.308CS..Hα-helixtrans-63-49176-64.5161.6000110.2L131 Y132 H135 D138 M139 A144 S145 A146 I161L131-I142 HydrophobicContact CB-CG1 4.36Å; L131-I142 HydrophobicContact CB-CG2 4.19Å; Y132-I142 HydrophobicContact CD2-CD1 3.97Å; H135-I142 HydrophobicContact CB-CG1 4.12Å; D138-I142 WeakPolarHBondContact O-CD1 3.47Å; D138-I142 VanDerWaalsContact O-CG1 3.25Å; D138-I142 WeakPolarHBondContact O-CG1 3.07Å; D138-I142 PolarHBondContact O-N 3.01Å; M139-I142 PolarHBondContact O-N 3.23Å; M139-I142 HydrophobicContact SD-CD1 4.06Å; I142-A144 VanDerWaalsContact C-N 3.27Å; I142-A144 PolarHBondContact O-N 3.43Å; I142-S145 PolarHBondContact O-N 3.32Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 2.91Å; I142-I161 HydrophobicContact CD1-CD1 4.33Å
143T87.4Confident86.4Confident31 Ų3155.2 Ų55.219%0.1931%0.312CS..Hα-helixtrans-68.3-25179.254.30000113.7M139 D140 S149 L157M139-T143 HydrophobicContact CE-CG2 4.24Å; M139-T143 WeakPolarHBondContact O-CB 3.41Å; M139-T143 WeakPolarHBondContact O-CG2 2.96Å; M139-T143 PolarHBondContact O-N 3.46Å; M139-T143 PolarHBondContact O-OG1 3.19Å; D140-T143 PolarHBondContact O-N 3.18Å; D140-T143 PolarHBondContact O-OG1 3.43Å; T143-S149 PolarHBondContact O-OG 3.19Å; T143-L157 HydrophobicContact CG2-CD1 4.17Å
144A86.3Confident85.9Confident86 Ų8652.6 Ų52.671%0.71130%0.295SS*.Hα-helixtrans-77.1-25.1175.200000112.6D140 A141 I142D140-A144 WeakPolarHBondContact O-CB 3.38Å; D140-A144 PolarHBondContact O-N 2.92Å; A141-A144 PolarHBondContact O-N 2.94Å; I142-A144 VanDerWaalsContact C-N 3.27Å; I142-A144 PolarHBondContact O-N 3.43Å
145S86.7Confident85.6Confident65 Ų6549.8 Ų49.846%0.45529%0.288SS..Hα-helixtrans-105.5-17.5-174.7-49.60000113.4A141 I142A141-S145 WeakPolarHBondContact O-CB 3.2Å; A141-S145 PolarHBondContact O-N 3.16Å; A141-S145 VanDerWaalsContact O-N 3.11Å; A141-S145 PolarHBondContact O-OG 2.88Å; I142-S145 PolarHBondContact O-N 3.32Å
146A87.6Confident85.4Confident12 Ų1249.8 Ų49.810%0.09929%0.285CS..SBendtrans-69.3134.8-178.100000111.5L131 I142 S149 L157L131-A146 HydrophobicContact CD1-CB 3.87Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 2.91Å; A146-S149 PolarHBondContact O-OG 3.02Å; A146-L157 HydrophobicContact CB-CD1 4.44Å
147L87.8Confident85.3Confident87 Ų8743.4 Ų43.446%0.45526%0.256SS..THydrogen-bonded Turntrans-69.6140.7176.2-172.361.9000110.3F114 Y118 S149F114-L147 HydrophobicContact CE1-CD2 3.66Å; F114-L147 HydrophobicContact CE1-CG 4.33Å; F114-L147 HydrophobicContact CZ-CD2 3.78Å; Y118-L147 HydrophobicContact CD2-CD2 4.4Å; Y118-L147 HydrophobicContact CE1-CB 4Å; Y118-L147 HydrophobicContact CE1-CG 4.39Å; Y118-L147 WeakPolarHBondContact CE1-O 3.31Å; Y118-L147 HydrophobicContact CE2-CD2 4.18Å; L147-S149 PolarHBondContact O-N 2.68Å
148C83.1Confident85.4Confident37 Ų3744.1 Ų44.125%0.2526%0.261CS..THydrogen-bonded Turntrans53.124.4179.1-63.10000113.7E115 Y118 K119 S150E115-C148 HydrophobicContact CG-CB 4.12Å; Y118-C148 HydrophobicContact CD1-CB 4.07Å; Y118-C148 HydrophobicContact CE1-CB 4.44Å; K119-C148 WeakPolarHBondContact CE-O 3.33Å; K119-C148 PolarHBondContact NZ-O 2.81Å; C148-S150 PolarHBondContact O-N 3.22Å
149S81.2Confident85.5Confident33 Ų3350 Ų5023%0.23128%0.279CS..  trans-82.7108.517760.60000110T143 A146 L147T143-S149 PolarHBondContact O-OG 3.19Å; A146-S149 PolarHBondContact O-OG 3.02Å; L147-S149 PolarHBondContact O-N 2.68Å
150S76.9Confident85.8Confident51 Ų5151.5 Ų51.536%0.35729%0.287SS..  trans-86.5167.2163.477.10000110.4C148 E152 D153C148-S150 PolarHBondContact O-N 3.22Å; S150-E152 PolarHBondContact O-N 3.09Å; S150-E152 PolarHBondContact OG-N 3.44Å; S150-D153 WeakPolarHBondContact CB-OD2 3.41Å; S150-D153 PolarHBondContact N-OD2 3.11Å; S150-D153 WeakPolarHBondContact O-CB 3.49Å; S150-D153 PolarHBondContact O-N 3.29Å; S150-D153 PolarHBondContact OG-OD2 3.41Å
151Q70.8Confident86Confident80 Ų8050 Ų5037%0.37428%0.279SS..THydrogen-bonded Turntrans-61.9-25.2176.4-50.9175.922.900112.1D153 A191 D192Q151-D153 VanDerWaalsContact C-N 3.33Å; Q151-A191 HydrophobicContact CB-CB 4.36Å; Q151-A191 HydrophobicContact CG-CB 3.52Å; Q151-A191 PolarHBondContact NE2-O 3.09Å; Q151-A191 PolarHBondContact OE1-O 3.46Å; Q151-D192 VanDerWaalsContact OE1-N 3.15Å
152E77.6Confident86.2Confident154 Ų15453 Ų5372%0.7229%0.288SS*.THydrogen-bonded Turntrans-81.1-15.3178.4-58.3-172.5179.500112.6S150 P155S150-E152 PolarHBondContact O-N 3.09Å; S150-E152 PolarHBondContact OG-N 3.44Å; E152-P155 VanDerWaalsContact O-CD 3.24Å; E152-P155 WeakPolarHBondContact O-CD 3.47Å
153D83.8Confident86.4Confident16 Ų1655.7 Ų55.79%0.08631%0.311CS..SBendtrans-85.1-11.8-177.4-70.6-66.3000113.2K119 S150 Q151 P155 R156 L157K119-D153 WeakPolarHBondContact CE-OD2 3.42Å; K119-D153 IonicContact NZ-OD1 3.53Å; K119-D153 IonicContact NZ-OD2 2.75Å; K119-D153 PolarHBondContact NZ-OD2 3.07Å; S150-D153 WeakPolarHBondContact CB-OD2 3.41Å; S150-D153 PolarHBondContact N-OD2 3.11Å; S150-D153 WeakPolarHBondContact O-CB 3.49Å; S150-D153 PolarHBondContact O-N 3.29Å; S150-D153 PolarHBondContact OG-OD2 3.41Å; Q151-D153 VanDerWaalsContact C-N 3.33Å; D153-P155 VanDerWaalsContact C-CD 3.42Å; D153-P155 VanDerWaalsContact C-N 3.35Å; D153-R156 WeakPolarHBondContact O-CA 3.46Å; D153-R156 VanDerWaalsContact O-CB 3.23Å; D153-R156 WeakPolarHBondContact O-CB 3.43Å; D153-R156 PolarHBondContact O-N 2.75Å; D153-R156 IonicContact OD1-CZ 3.55Å; D153-R156 IonicContact OD1-NE 2.67Å; D153-R156 PolarHBondContact OD1-NE 3.39Å; D153-R156 IonicContact OD1-NH2 3.18Å; D153-R156 PolarHBondContact OD1-NH2 3.16Å; D153-L157 WeakPolarHBondContact O-CG 3.46Å; D153-L157 PolarHBondContact O-N 3.14Å
154E83.5Confident86.6Confident25 Ų2554.3 Ų54.312%0.11730%0.303CS..Hα-helixtrans-50.8-43.8179.6-174.9-177.9170.600113.7M139 R156 L157 C158 R187M139-E154 HydrophobicContact CE-CG 4.14Å; E154-R156 VanDerWaalsContact C-N 3.26Å; E154-R156 PolarHBondContact O-N 3.49Å; E154-L157 PolarHBondContact O-N 2.91Å; E154-C158 WeakPolarHBondContact O-CB 2.92Å; E154-C158 PolarHBondContact O-N 2.94Å; E154-C158 PolarHBondContact O-SG 3.37Å; E154-R187 IonicContact OE1-CZ 3.45Å; E154-R187 IonicContact OE1-NH1 3.72Å; E154-R187 PolarHBondContact OE1-NH1 3.41Å
155P88.3Confident87Confident71 Ų7152.4 Ų52.446%0.46128%0.28SS..Hα-helixtrans-62.4-32.4176.1-21.734.5000113.2E152 D153 R159E152-P155 VanDerWaalsContact O-CD 3.24Å; E152-P155 WeakPolarHBondContact O-CD 3.47Å; D153-P155 VanDerWaalsContact C-CD 3.42Å; D153-P155 VanDerWaalsContact C-N 3.35Å; P155-R159 VanDerWaalsContact O-CG 3.28Å; P155-R159 WeakPolarHBondContact O-CG 3.38Å; P155-R159 PolarHBondContact O-N 2.99Å; P155-R159 VanDerWaalsContact O-N 3.11Å
156R89.6Confident87.3Confident52 Ų5257.6 Ų57.620%0.19629%0.294CS..Hα-helixtrans-72.6-47.5180-169.5172.662.573.24.3110.3E124 D153 E154 C158 R159 I160E124-R156 IonicContact OE1-CZ 3.74Å; E124-R156 IonicContact OE1-NH1 3.41Å; E124-R156 PolarHBondContact OE1-NH1 3.08Å; E124-R156 IonicContact OE1-NH2 2.83Å; E124-R156 PolarHBondContact OE1-NH2 3.3Å; E124-R156 IonicContact OE2-CZ 3.11Å; E124-R156 IonicContact OE2-NH1 3.87Å; E124-R156 PolarHBondContact OE2-NH1 2.95Å; E124-R156 IonicContact OE2-NH2 3.22Å; D153-R156 WeakPolarHBondContact O-CA 3.46Å; D153-R156 VanDerWaalsContact O-CB 3.23Å; D153-R156 WeakPolarHBondContact O-CB 3.43Å; D153-R156 PolarHBondContact O-N 2.75Å; D153-R156 IonicContact OD1-CZ 3.55Å; D153-R156 IonicContact OD1-NE 2.67Å; D153-R156 PolarHBondContact OD1-NE 3.39Å; D153-R156 IonicContact OD1-NH2 3.18Å; D153-R156 PolarHBondContact OD1-NH2 3.16Å; E154-R156 VanDerWaalsContact C-N 3.26Å; E154-R156 PolarHBondContact O-N 3.49Å; R156-C158 VanDerWaalsContact C-N 3.32Å; R156-C158 PolarHBondContact O-N 3.27Å; R156-R159 WeakPolarHBondContact O-CB 3.47Å; R156-R159 PolarHBondContact O-N 3.4Å; R156-R159 VanDerWaalsContact O-N 3.09Å; R156-I160 WeakPolarHBondContact O-CG1 3.31Å; R156-I160 PolarHBondContact O-N 2.99Å; R156-I160 VanDerWaalsContact O-N 3.09Å
157L90.2Very high87.6Confident1 Ų160.9 Ų60.91%0.00532%0.317CS..Hα-helixtrans-58-44.5173.1-57.4-177.9000111.3V128 M139 T143 A146 D153 E154 R159 I160 I161V128-L157 HydrophobicContact CG1-CD2 4.46Å; V128-L157 HydrophobicContact CG2-CD2 3.54Å; M139-L157 HydrophobicContact CE-CB 4.46Å; T143-L157 HydrophobicContact CG2-CD1 4.17Å; A146-L157 HydrophobicContact CB-CD1 4.44Å; D153-L157 WeakPolarHBondContact O-CG 3.46Å; D153-L157 PolarHBondContact O-N 3.14Å; E154-L157 PolarHBondContact O-N 2.91Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 3.34Å; L157-I160 WeakPolarHBondContact O-CB 3.35Å; L157-I160 PolarHBondContact O-N 2.94Å; L157-I161 WeakPolarHBondContact O-CG1 3.32Å; L157-I161 PolarHBondContact O-N 3.32Å
158C89.2Confident87.7Confident16 Ų1659.7 Ų59.711%0.10833%0.325CS..Hα-helixtrans-59.5-39175.6-72.80000112.5E154 R156 Q162 F176E154-C158 WeakPolarHBondContact O-CB 2.92Å; E154-C158 PolarHBondContact O-N 2.94Å; E154-C158 PolarHBondContact O-SG 3.37Å; R156-C158 VanDerWaalsContact C-N 3.32Å; R156-C158 PolarHBondContact O-N 3.27Å; C158-Q162 VanDerWaalsContact O-CB 3.27Å; C158-Q162 WeakPolarHBondContact O-CB 3.37Å; C158-Q162 WeakPolarHBondContact O-CG 3.21Å; C158-Q162 PolarHBondContact O-N 3.46Å; C158-F176 HydrophobicContact CB-CZ 4.46Å
159R92.3Very high88.1Confident174 Ų17462.4 Ų62.466%0.65733%0.334SS*.Hα-helixtrans-65.7-40.3177.1-73.4169.6-165.4162.75.1111.7P155 R156 L157 Q162 A163P155-R159 VanDerWaalsContact O-CG 3.28Å; P155-R159 WeakPolarHBondContact O-CG 3.38Å; P155-R159 PolarHBondContact O-N 2.99Å; P155-R159 VanDerWaalsContact O-N 3.11Å; R156-R159 WeakPolarHBondContact O-CB 3.47Å; R156-R159 PolarHBondContact O-N 3.4Å; R156-R159 VanDerWaalsContact O-N 3.09Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 3.34Å; R159-Q162 PolarHBondContact O-N 3.48Å; R159-A163 WeakPolarHBondContact O-CB 3.23Å; R159-A163 PolarHBondContact O-N 2.84Å
160I93Very high88.6Confident32 Ų3261.7 Ų61.716%0.16433%0.328CS..Hα-helixtrans-60-51.9176.3-66.9169.2000110R125 V128 R156 L157 Q162 A163 A164R125-I160 HydrophobicContact CB-CG2 4.27Å; R125-I160 HydrophobicContact CG-CG2 3.96Å; V128-I160 HydrophobicContact CB-CG2 4.27Å; V128-I160 HydrophobicContact CG1-CB 4.42Å; V128-I160 HydrophobicContact CG1-CG2 4.06Å; R156-I160 WeakPolarHBondContact O-CG1 3.31Å; R156-I160 PolarHBondContact O-N 2.99Å; R156-I160 VanDerWaalsContact O-N 3.09Å; L157-I160 WeakPolarHBondContact O-CB 3.35Å; L157-I160 PolarHBondContact O-N 2.94Å; I160-Q162 PolarHBondContact O-N 2.98Å; I160-A163 WeakPolarHBondContact O-CB 3.34Å; I160-A163 PolarHBondContact O-N 3.27Å; I160-A163 VanDerWaalsContact O-N 3.16Å; I160-A164 PolarHBondContact O-N 3.41Å
161I92.4Very high89.2Confident1 Ų166.7 Ų66.71%0.00535%0.346CS..Hα-helixtrans-62.7-43.8179.9-62.8167.4000110.7V128 Y132 M139 I142 L157 A163 A164 I165 F176V128-I161 HydrophobicContact CG1-CD1 3.99Å; V128-I161 HydrophobicContact CG1-CG1 3.68Å; Y132-I161 HydrophobicContact CD1-CG2 4.36Å; Y132-I161 HydrophobicContact CD2-CB 4.5Å; Y132-I161 HydrophobicContact CD2-CD1 3.9Å; Y132-I161 HydrophobicContact CD2-CG1 4.19Å; Y132-I161 HydrophobicContact CD2-CG2 3.49Å; Y132-I161 VanDerWaalsContact CD2-CG2 3.49Å; Y132-I161 HydrophobicContact CE1-CG2 4.29Å; Y132-I161 HydrophobicContact CE2-CG2 3.4Å; Y132-I161 VanDerWaalsContact CE2-CG2 3.4Å; Y132-I161 HydrophobicContact CG-CD1 4.49Å; Y132-I161 HydrophobicContact CG-CG1 4.43Å; Y132-I161 HydrophobicContact CG-CG2 3.98Å; M139-I161 HydrophobicContact SD-CD1 3.79Å; I142-I161 HydrophobicContact CD1-CD1 4.33Å; L157-I161 WeakPolarHBondContact O-CG1 3.32Å; L157-I161 PolarHBondContact O-N 3.32Å; I161-A163 VanDerWaalsContact C-N 3.3Å; I161-A163 PolarHBondContact O-N 3.41Å; I161-A164 PolarHBondContact O-N 2.87Å; I161-I165 HydrophobicContact CG2-CD1 3.89Å; I161-I165 HydrophobicContact CG2-CG1 4.44Å; I161-I165 VanDerWaalsContact O-CG1 3.31Å; I161-I165 WeakPolarHBondContact O-CG1 3.28Å; I161-I165 PolarHBondContact O-N 2.98Å; I161-F176 HydrophobicContact CB-CE1 4.32Å; I161-F176 HydrophobicContact CB-CE2 4.14Å; I161-F176 HydrophobicContact CB-CZ 3.81Å; I161-F176 HydrophobicContact CD1-CE2 4.01Å; I161-F176 HydrophobicContact CG2-CD1 4.02Å; I161-F176 HydrophobicContact CG2-CD2 4.23Å; I161-F176 HydrophobicContact CG2-CE1 3.63Å; I161-F176 HydrophobicContact CG2-CE2 3.87Å; I161-F176 HydrophobicContact CG2-CG 4.31Å; I161-F176 HydrophobicContact CG2-CZ 3.55Å
162Q92.9Very high90.3Very high88 Ų8865.7 Ų65.741%0.41135%0.352SS..Hα-helixtrans-62.5-36.7176.2-76.4172.410.400112.6C158 R159 I160 K166 F176C158-Q162 VanDerWaalsContact O-CB 3.27Å; C158-Q162 WeakPolarHBondContact O-CB 3.37Å; C158-Q162 WeakPolarHBondContact O-CG 3.21Å; C158-Q162 PolarHBondContact O-N 3.46Å; R159-Q162 PolarHBondContact O-N 3.48Å; I160-Q162 PolarHBondContact O-N 2.98Å; Q162-K166 WeakPolarHBondContact O-CB 3.15Å; Q162-K166 WeakPolarHBondContact O-CG 3.4Å; Q162-K166 PolarHBondContact O-N 3.27Å; Q162-F176 HydrophobicContact CG-CE1 3.92Å; Q162-F176 HydrophobicContact CG-CZ 4Å
163A93.3Very high91Very high58 Ų5860.9 Ų60.948%0.47933%0.328SS..Hα-helixtrans-66.4-43.2175.400000111R159 I160 I161 K166 S167R159-A163 WeakPolarHBondContact O-CB 3.23Å; R159-A163 PolarHBondContact O-N 2.84Å; I160-A163 WeakPolarHBondContact O-CB 3.34Å; I160-A163 PolarHBondContact O-N 3.27Å; I160-A163 VanDerWaalsContact O-N 3.16Å; I161-A163 VanDerWaalsContact C-N 3.3Å; I161-A163 PolarHBondContact O-N 3.41Å; A163-K166 PolarHBondContact O-N 3.43Å; A163-S167 PolarHBondContact O-N 3.03Å; A163-S167 PolarHBondContact O-OG 3.11Å
164A93.3Very high91.2Very high2 Ų269.1 Ų69.12%0.01736%0.358CS..Hα-helixtrans-65.2-37.7177.500000112.9I129 I160 I161 S167 G168 E169 V170I129-A164 HydrophobicContact CD1-CB 3.93Å; I129-A164 HydrophobicContact CG1-CB 4.04Å; I160-A164 PolarHBondContact O-N 3.41Å; I161-A164 PolarHBondContact O-N 2.87Å; A164-S167 WeakPolarHBondContact CA-OG 2.95Å; A164-S167 PolarHBondContact O-OG 3.4Å; A164-G168 PolarHBondContact O-N 2.61Å; A164-E169 PolarHBondContact O-N 3.16Å; A164-V170 HydrophobicContact CB-CG2 3.65Å
165I93.2Very high91.4Very high45 Ų4570.2 Ų70.223%0.23137%0.372CS..Hα-helixtrans-65.7-41.3172.8-67.1166.9000110.5I161 G168 V170 A172 F176I161-I165 HydrophobicContact CG2-CD1 3.89Å; I161-I165 HydrophobicContact CG2-CG1 4.44Å; I161-I165 VanDerWaalsContact O-CG1 3.31Å; I161-I165 WeakPolarHBondContact O-CG1 3.28Å; I161-I165 PolarHBondContact O-N 2.98Å; I165-G168 PolarHBondContact O-N 2.81Å; I165-V170 HydrophobicContact CG1-CG2 3.88Å; I165-A172 HydrophobicContact CD1-CB 4.35Å; I165-A172 HydrophobicContact CG2-CB 3.91Å; I165-F176 HydrophobicContact CD1-CD1 3.74Å; I165-F176 HydrophobicContact CD1-CE1 3.79Å
166K93.9Very high91.4Very high174 Ų17467.8 Ų67.876%0.75735%0.354SS*.Hα-helixtrans-68.6-35.5179.4-76.6172.5-176.2179.10112.8Q162 A163 G168Q162-K166 WeakPolarHBondContact O-CB 3.15Å; Q162-K166 WeakPolarHBondContact O-CG 3.4Å; Q162-K166 PolarHBondContact O-N 3.27Å; A163-K166 PolarHBondContact O-N 3.43Å; K166-G168 PolarHBondContact O-N 2.95Å
167S93.5Very high91.3Very high82 Ų8269.1 Ų69.157%0.57337%0.368SS*.Hα-helixtrans-74.5-13.1174.758.90000112.9A163 A164 E169A163-S167 PolarHBondContact O-N 3.03Å; A163-S167 PolarHBondContact O-OG 3.11Å; A164-S167 WeakPolarHBondContact CA-OG 2.95Å; A164-S167 PolarHBondContact O-OG 3.4Å; S167-E169 VanDerWaalsContact C-N 3.34Å
168G90.2Very high91.2Very high61 Ų6176.4 Ų76.463%0.62940%0.4SS*.THydrogen-bonded Turntrans78.417.1-177.900000113.9A164 I165 K166A164-G168 PolarHBondContact O-N 2.61Å; I165-G168 PolarHBondContact O-N 2.81Å; K166-G168 PolarHBondContact O-N 2.95Å
169E90.6Very high90.9Very high94 Ų9476.8 Ų76.844%0.43940%0.4SS..SBendtrans-76.5-30178.3-176.1178.2-157.100112.3R125 A164 S167R125-E169 IonicContact CZ-OE1 2.82Å; R125-E169 IonicContact CZ-OE2 3.2Å; R125-E169 IonicContact NH1-OE1 2.67Å; R125-E169 PolarHBondContact NH1-OE1 2.85Å; R125-E169 IonicContact NH2-OE1 3.68Å; R125-E169 PolarHBondContact NH2-OE1 2.95Å; R125-E169 IonicContact NH2-OE2 3.94Å; R125-E169 PolarHBondContact NH2-OE2 3.38Å; A164-E169 PolarHBondContact O-N 3.16Å; S167-E169 VanDerWaalsContact C-N 3.34Å
170V91.4Very high90.5Very high18 Ų1871.5 Ų71.511%0.10939%0.389CS..SBendtrans-133.6146.9176.4-67.60000112I129 Y132 V133 A164 I165I129-V170 HydrophobicContact CG2-CG1 3.68Å; Y132-V170 HydrophobicContact CD1-CB 4.17Å; Y132-V170 HydrophobicContact CD1-CG1 4.45Å; Y132-V170 HydrophobicContact CD1-CG2 4.04Å; Y132-V170 HydrophobicContact CE1-CB 4.11Å; Y132-V170 HydrophobicContact CE1-CG2 3.89Å; V133-V170 HydrophobicContact CG2-CG1 4.11Å; A164-V170 HydrophobicContact CB-CG2 3.65Å; I165-V170 HydrophobicContact CG1-CG2 3.88Å
171E90.9Very high90Very high157 Ų15775.9 Ų75.973%0.73441%0.409SS*.  trans-72.6146.1175.4-63.5-169.2166.900111.8Y132 F173Y132-E171 VanDerWaalsContact CE1-O 3.31Å; Y132-E171 WeakPolarHBondContact CE1-O 3.2Å; Y132-E171 PolarHBondContact OH-O 3.1Å; E171-F173 PolarHBondContact O-N 3.16Å
172A92.4Very high89.6Confident59 Ų5979.2 Ų79.249%0.48844%0.437SS..  trans-80.7104.8179.700000111.3I165 T177I165-A172 HydrophobicContact CD1-CB 4.35Å; I165-A172 HydrophobicContact CG2-CB 3.91Å; A172-T177 HydrophobicContact CB-CG2 3.96Å
173F92.2Very high89.1Confident52 Ų5278.6 Ų78.623%0.22843%0.433CS..  trans-73.4146.4173.7-65-69.3000112.9Y132 E136 E171 A175 F176 T177Y132-F173 HydrophobicContact CD1-CD2 4.14Å; Y132-F173 HydrophobicContact CD1-CE2 4.18Å; Y132-F173 AromaticContact CE1-CD2 3.48Å; Y132-F173 HydrophobicContact CE1-CD2 3.48Å; Y132-F173 VanDerWaalsContact CE1-CD2 3.48Å; Y132-F173 AromaticContact CE1-CE2 3.81Å; Y132-F173 HydrophobicContact CE1-CE2 3.81Å; Y132-F173 HydrophobicContact CE2-CD2 4.19Å; Y132-F173 AromaticContact CZ-CD2 3.5Å; Y132-F173 PolarHBondContact OH-N 3.05Å; E136-F173 VanDerWaalsContact C-CD2 3.44Å; E136-F173 VanDerWaalsContact C-CG 3.45Å; E136-F173 HydrophobicContact CB-CD1 4.13Å; E136-F173 HydrophobicContact CB-CE1 4.28Å; E136-F173 HydrophobicContact CB-CG 4.32Å; E136-F173 HydrophobicContact CG-CE1 4.43Å; E136-F173 WeakPolarHBondContact O-CB 3.35Å; E136-F173 WeakPolarHBondContact O-CG 3.37Å; E171-F173 PolarHBondContact O-N 3.16Å; F173-A175 VanDerWaalsContact C-N 3.3Å; F173-A175 PolarHBondContact O-N 2.88Å; F173-F176 PolarHBondContact O-N 3.35Å; F173-T177 PolarHBondContact O-N 3.2Å; F173-T177 VanDerWaalsContact O-N 3.1Å; F173-T177 PolarHBondContact O-OG1 3.11Å
174R88.7Confident88.6Confident190 Ų19079 Ų7972%0.71742%0.423SS*.Hα-helixtrans-63.9-35.1179.6-175.5178.1169.2173.7-4.2112.4F176 T177 K178R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 3.03Å; R174-T177 WeakPolarHBondContact CA-OG1 3.44Å; R174-T177 PolarHBondContact O-N 3.24Å; R174-T177 PolarHBondContact O-OG1 3.22Å; R174-K178 HydrophobicContact CG-CB 4.38Å; R174-K178 HydrophobicContact CG-CD 4.04Å; R174-K178 HydrophobicContact CG-CG 4.31Å; R174-K178 PolarHBondContact O-N 3.43Å
175A87.6Confident88.1Confident48 Ų4887.8 Ų87.840%0.39746%0.456SS..Hα-helixtrans-59.2-40.6179.600000111.6F173F173-A175 VanDerWaalsContact C-N 3.3Å; F173-A175 PolarHBondContact O-N 2.88Å
176F88.6Confident87.7Confident20 Ų2088.4 Ų88.49%0.08847%0.468CS..Hα-helixtrans-78.4-45.2178.1-175.6-105.5000113.1Y132 G137 M139 C158 I161 Q162 I165 F173 R174Y132-F176 HydrophobicContact CE2-CB 3.77Å; Y132-F176 HydrophobicContact CE2-CD1 4.27Å; Y132-F176 HydrophobicContact CE2-CD2 4.18Å; Y132-F176 AromaticContact CE2-CG 3.83Å; Y132-F176 HydrophobicContact CE2-CG 3.83Å; G137-F176 WeakPolarHBondContact O-CA 3.37Å; G137-F176 WeakPolarHBondContact O-CB 3.28Å; G137-F176 PolarHBondContact O-N 3.43Å; M139-F176 HydrophobicContact CG-CD2 3.78Å; M139-F176 HydrophobicContact CG-CE2 4.1Å; M139-F176 HydrophobicContact SD-CD2 3.62Å; M139-F176 HydrophobicContact SD-CE2 3.55Å; M139-F176 VanDerWaalsContact SD-CE2 3.55Å; C158-F176 HydrophobicContact CB-CZ 4.46Å; I161-F176 HydrophobicContact CB-CE1 4.32Å; I161-F176 HydrophobicContact CB-CE2 4.14Å; I161-F176 HydrophobicContact CB-CZ 3.81Å; I161-F176 HydrophobicContact CD1-CE2 4.01Å; I161-F176 HydrophobicContact CG2-CD1 4.02Å; I161-F176 HydrophobicContact CG2-CD2 4.23Å; I161-F176 HydrophobicContact CG2-CE1 3.63Å; I161-F176 HydrophobicContact CG2-CE2 3.87Å; I161-F176 HydrophobicContact CG2-CG 4.31Å; I161-F176 HydrophobicContact CG2-CZ 3.55Å; Q162-F176 HydrophobicContact CG-CE1 3.92Å; Q162-F176 HydrophobicContact CG-CZ 4Å; I165-F176 HydrophobicContact CD1-CD1 3.74Å; I165-F176 HydrophobicContact CD1-CE1 3.79Å; F173-F176 PolarHBondContact O-N 3.35Å; R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 3.03Å
177T87.4Confident87.2Confident80 Ų8080.7 Ų80.749%0.49143%0.434SS..Hα-helixtrans-74.9-33.4-172.950.50000114A172 F173 R174A172-T177 HydrophobicContact CB-CG2 3.96Å; F173-T177 PolarHBondContact O-N 3.2Å; F173-T177 VanDerWaalsContact O-N 3.1Å; F173-T177 PolarHBondContact O-OG1 3.11Å; R174-T177 WeakPolarHBondContact CA-OG1 3.44Å; R174-T177 PolarHBondContact O-N 3.24Å; R174-T177 PolarHBondContact O-OG1 3.22Å
178K87.3Confident86.7Confident154 Ų15484.9 Ų84.967%0.6744%0.437SS*.THydrogen-bonded Turntrans-107.625.2-177.4-63.5-168.5-179.8179.50113.1R174 S180R174-K178 HydrophobicContact CG-CB 4.38Å; R174-K178 HydrophobicContact CG-CD 4.04Å; R174-K178 HydrophobicContact CG-CG 4.31Å; R174-K178 PolarHBondContact O-N 3.43Å; K178-S180 PolarHBondContact O-N 3.49Å
179E83.1Confident86.5Confident24 Ų2489.4 Ų89.411%0.11244%0.44CS..  trans-65.2131.9178.5-172.2171.1-135.100111.7K183 K184 R187E179-K183 HydrophobicContact CG-CB 4.25Å; E179-K183 HydrophobicContact CG-CD 4.21Å; E179-K184 HydrophobicContact CG-CG 4.09Å; E179-K184 WeakPolarHBondContact OE2-CE 3.39Å; E179-K184 WeakPolarHBondContact OE2-CG 3.33Å; E179-K184 IonicContact OE2-NZ 3.36Å; E179-R187 IonicContact OE1-CZ 3.51Å; E179-R187 IonicContact OE1-NH1 3.54Å; E179-R187 PolarHBondContact OE1-NH1 2.84Å; E179-R187 IonicContact OE1-NH2 3.92Å; E179-R187 PolarHBondContact OE1-NH2 3.13Å; E179-R187 IonicContact OE2-NH1 2.69Å
180S85.1Confident86.2Confident63 Ų6391 Ų9144%0.44144%0.442SS..  trans-75.1144.217977.80000111.5K178 A182 K183 K184K178-S180 PolarHBondContact O-N 3.49Å; S180-A182 PolarHBondContact O-N 3.35Å; S180-K183 WeakPolarHBondContact O-CB 3.41Å; S180-K183 PolarHBondContact O-N 3.49Å; S180-K183 WeakPolarHBondContact OG-CB 2.84Å; S180-K183 PolarHBondContact OG-N 3.32Å; S180-K184 PolarHBondContact O-N 2.89Å
181Q81.8Confident85.7Confident123 Ų12390.7 Ų90.758%0.57544%0.441SS*.Hα-helixtrans-60.7-29173.6-68.1-63.4-27.900112.2R185Q181-R185 WeakPolarHBondContact O-CB 3.37Å; Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.4Å; Q181-R185 PolarHBondContact O-N 3.41Å
182A84.1Confident85.3Confident71 Ų7186 Ų8659%0.58742%0.422SS*.Hα-helixtrans-64.4-42.7173.400000111.8S180 R185 A186S180-A182 PolarHBondContact O-N 3.35Å; A182-R185 PolarHBondContact O-N 2.72Å; A182-A186 VanDerWaalsContact O-CB 3.31Å; A182-A186 WeakPolarHBondContact O-CB 3.18Å; A182-A186 PolarHBondContact O-N 2.85Å
183K83.6Confident85Confident76 Ų7690.8 Ų90.833%0.3343%0.427SS..Hα-helixtrans-62.9-45.2176.9-168.1179.5178.2-160.30111.1D138 D140 E179 S180 R185 A186 R187D138-K183 IonicContact OD1-NZ 2.76Å; D138-K183 PolarHBondContact OD1-NZ 2.95Å; D140-K183 WeakPolarHBondContact OD2-CE 3.48Å; D140-K183 IonicContact OD2-NZ 3.53Å; D140-K183 PolarHBondContact OD2-NZ 2.87Å; E179-K183 HydrophobicContact CG-CB 4.25Å; E179-K183 HydrophobicContact CG-CD 4.21Å; S180-K183 WeakPolarHBondContact O-CB 3.41Å; S180-K183 PolarHBondContact O-N 3.49Å; S180-K183 WeakPolarHBondContact OG-CB 2.84Å; S180-K183 PolarHBondContact OG-N 3.32Å; K183-R185 PolarHBondContact O-N 3.28Å; K183-A186 PolarHBondContact O-N 3.11Å; K183-R187 PolarHBondContact O-N 3.32Å
184K81.9Confident84.7Confident65 Ų6593.4 Ų93.428%0.28344%0.44SS..Hα-helixtrans-58-47.4174.7-66.2-177.1175.6-174.80112.8E179 S180 A186 R187 R188E179-K184 HydrophobicContact CG-CG 4.09Å; E179-K184 WeakPolarHBondContact OE2-CE 3.39Å; E179-K184 WeakPolarHBondContact OE2-CG 3.33Å; E179-K184 IonicContact OE2-NZ 3.36Å; S180-K184 PolarHBondContact O-N 2.89Å; K184-A186 VanDerWaalsContact C-N 3.35Å; K184-A186 PolarHBondContact O-N 3.47Å; K184-R187 PolarHBondContact O-N 3.19Å; K184-R188 PolarHBondContact O-N 3.05Å; K184-R188 VanDerWaalsContact O-N 3.13Å
185R83.1Confident84.3Confident188 Ų18890.9 Ų90.971%0.70943%0.43SS*.Hα-helixtrans-65-38.5177.5-72.6176.3-177.8-134.71.7112.3Q181 A182 K183 K189Q181-R185 WeakPolarHBondContact O-CB 3.37Å; Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.4Å; Q181-R185 PolarHBondContact O-N 3.41Å; A182-R185 PolarHBondContact O-N 2.72Å; K183-R185 PolarHBondContact O-N 3.28Å; R185-K189 WeakPolarHBondContact O-CB 3.45Å; R185-K189 PolarHBondContact O-N 2.95Å
186A84.8Confident84.2Confident57 Ų5794.4 Ų94.447%0.47144%0.439SS..Hα-helixtrans-66.2-41.7177.700000111.7A182 K183 K184 K189 R190A182-A186 VanDerWaalsContact O-CB 3.31Å; A182-A186 WeakPolarHBondContact O-CB 3.18Å; A182-A186 PolarHBondContact O-N 2.85Å; K183-A186 PolarHBondContact O-N 3.11Å; K184-A186 VanDerWaalsContact C-N 3.35Å; K184-A186 PolarHBondContact O-N 3.47Å; A186-K189 PolarHBondContact O-N 3.47Å; A186-R190 WeakPolarHBondContact O-CB 3.32Å; A186-R190 PolarHBondContact O-N 2.82Å
187R83.7Confident84.2Confident13 Ų1397.7 Ų97.75%0.04945%0.454CS..Hα-helixtrans-57.5-52.2174-177.6-176.2-60.2134.26.2111.1D140 E154 E179 K183 K184 K189 R190 A191D140-R187 VanDerWaalsContact CG-NE 3.32Å; D140-R187 IonicContact OD1-CZ 3.65Å; D140-R187 IonicContact OD1-NE 2.84Å; D140-R187 PolarHBondContact OD1-NE 3.46Å; D140-R187 IonicContact OD1-NH2 3.19Å; D140-R187 PolarHBondContact OD1-NH2 3.19Å; D140-R187 IonicContact OD2-CZ 2.78Å; D140-R187 IonicContact OD2-NE 3.43Å; D140-R187 IonicContact OD2-NH2 2.95Å; D140-R187 PolarHBondContact OD2-NH2 3.39Å; E154-R187 IonicContact OE1-CZ 3.45Å; E154-R187 IonicContact OE1-NH1 3.72Å; E154-R187 PolarHBondContact OE1-NH1 3.41Å; E179-R187 IonicContact OE1-CZ 3.51Å; E179-R187 IonicContact OE1-NH1 3.54Å; E179-R187 PolarHBondContact OE1-NH1 2.84Å; E179-R187 IonicContact OE1-NH2 3.92Å; E179-R187 PolarHBondContact OE1-NH2 3.13Å; E179-R187 IonicContact OE2-NH1 2.69Å; K183-R187 PolarHBondContact O-N 3.32Å; K184-R187 PolarHBondContact O-N 3.19Å; R187-K189 PolarHBondContact O-N 2.92Å; R187-R190 PolarHBondContact O-N 3.37Å; R187-A191 WeakPolarHBondContact O-CB 3.13Å; R187-A191 PolarHBondContact O-N 3.02Å; R187-A191 VanDerWaalsContact O-N 3.08Å
188R82.3Confident83.9Confident170 Ų17096.6 Ų96.664%0.64245%0.453SS*.Hα-helixtrans-57.8-47.9177.2-173.2173.9-179.3-125-1.6112K184 R190 A191 D192K184-R188 PolarHBondContact O-N 3.05Å; K184-R188 VanDerWaalsContact O-N 3.13Å; R188-R190 PolarHBondContact O-N 3.37Å; R188-A191 PolarHBondContact O-N 3.25Å; R188-D192 VanDerWaalsContact O-CG 3.28Å; R188-D192 PolarHBondContact O-N 3.24Å
189K85.4Confident83.8Confident156 Ų15692.6 Ų92.668%0.67844%0.437SS*.Hα-helixtrans-63.8-39.2179.9-173.5178.9179.4-177.50113.2R185 A186 R187 A191 R193R185-K189 WeakPolarHBondContact O-CB 3.45Å; R185-K189 PolarHBondContact O-N 2.95Å; A186-K189 PolarHBondContact O-N 3.47Å; R187-K189 PolarHBondContact O-N 2.92Å; K189-A191 VanDerWaalsContact C-N 3.28Å; K189-R193 WeakPolarHBondContact O-CB 3.42Å; K189-R193 PolarHBondContact O-N 3.13Å; K189-R193 VanDerWaalsContact O-N 3.09Å
190R84.9Confident83.9Confident126 Ų12697.9 Ų97.948%0.47546%0.462SS..Hα-helixtrans-60.2-45.4175.3175.4179.661.8-159.7-7.8109.9D140 A186 R187 R188 R193 E194D140-R190 IonicContact OD1-NH2 3.29Å; D140-R190 PolarHBondContact OD1-NH2 2.97Å; A186-R190 WeakPolarHBondContact O-CB 3.32Å; A186-R190 PolarHBondContact O-N 2.82Å; R187-R190 PolarHBondContact O-N 3.37Å; R188-R190 PolarHBondContact O-N 3.37Å; R190-R193 WeakPolarHBondContact O-CB 3.39Å; R190-R193 PolarHBondContact O-N 2.79Å; R190-E194 VanDerWaalsContact CG-OE1 3.3Å; R190-E194 WeakPolarHBondContact CG-OE1 3.37Å; R190-E194 WeakPolarHBondContact O-CG 3.23Å; R190-E194 PolarHBondContact O-N 3.1Å
191A80.2Confident83.7Confident13 Ų13100.3 Ų100.311%0.10747%0.467CS..Hα-helixtrans-72.7-38.1-175.600000111.5Q151 R187 R188 K189 R193 E194 R195Q151-A191 HydrophobicContact CB-CB 4.36Å; Q151-A191 HydrophobicContact CG-CB 3.52Å; Q151-A191 PolarHBondContact NE2-O 3.09Å; Q151-A191 PolarHBondContact OE1-O 3.46Å; R187-A191 WeakPolarHBondContact O-CB 3.13Å; R187-A191 PolarHBondContact O-N 3.02Å; R187-A191 VanDerWaalsContact O-N 3.08Å; R188-A191 PolarHBondContact O-N 3.25Å; K189-A191 VanDerWaalsContact C-N 3.28Å; A191-R193 VanDerWaalsContact C-N 3.27Å; A191-R193 PolarHBondContact O-N 2.88Å; A191-E194 PolarHBondContact O-N 2.92Å; A191-R195 PolarHBondContact O-N 2.77Å
192D83.9Confident83.5Confident59 Ų5998.6 Ų98.632%0.31646%0.459SS..Hα-helixtrans-57.6-42.7170.9-69.3-34.5000110.6Q151 R188 R195 E196Q151-D192 VanDerWaalsContact OE1-N 3.15Å; R188-D192 VanDerWaalsContact O-CG 3.28Å; R188-D192 PolarHBondContact O-N 3.24Å; D192-R195 WeakPolarHBondContact O-CB 3.33Å; D192-R195 PolarHBondContact O-N 3.04Å; D192-E196 WeakPolarHBondContact O-CG 3.08Å; D192-E196 PolarHBondContact O-N 2.99Å
193R86.3Confident83.3Confident158 Ų158102.5 Ų102.560%0.59646%0.463SS*.Hα-helixtrans-66.8-45.4177.8-178.7-178.8172.4-179.8-0.5112.8K189 R190 A191 R195 E196 E197K189-R193 WeakPolarHBondContact O-CB 3.42Å; K189-R193 PolarHBondContact O-N 3.13Å; K189-R193 VanDerWaalsContact O-N 3.09Å; R190-R193 WeakPolarHBondContact O-CB 3.39Å; R190-R193 PolarHBondContact O-N 2.79Å; A191-R193 VanDerWaalsContact C-N 3.27Å; A191-R193 PolarHBondContact O-N 2.88Å; R193-R195 PolarHBondContact O-N 3.48Å; R193-E196 PolarHBondContact O-N 3.42Å; R193-E197 HydrophobicContact CG-CG 4.44Å; R193-E197 IonicContact CZ-OE1 2.7Å; R193-E197 IonicContact NE-OE1 2.65Å; R193-E197 PolarHBondContact NE-OE1 3.26Å; R193-E197 IonicContact NH2-OE1 3.88Å; R193-E197 PolarHBondContact NH2-OE1 3.09Å; R193-E197 VanDerWaalsContact NH2-OE1 3.11Å; R193-E197 WeakPolarHBondContact O-CB 3.5Å; R193-E197 WeakPolarHBondContact O-CG 3.39Å; R193-E197 PolarHBondContact O-N 3.26Å
194E85Confident83.1Confident108 Ų108107 Ų10751%0.50549%0.485SS..Hα-helixtrans-59.4-34.5176.3-75.2168.9-169.500111.4R190 A191 A198R190-E194 VanDerWaalsContact CG-OE1 3.3Å; R190-E194 WeakPolarHBondContact CG-OE1 3.37Å; R190-E194 WeakPolarHBondContact O-CG 3.23Å; R190-E194 PolarHBondContact O-N 3.1Å; A191-E194 PolarHBondContact O-N 2.92Å; E194-A198 WeakPolarHBondContact O-CB 3.4Å; E194-A198 PolarHBondContact O-N 3.21Å
195R81.5Confident82.7Confident137 Ų137109 Ų10952%0.51750%0.497SS..Hα-helixtrans-67.3-48.7174179.8-173.8175.1169.86.3112.1A191 D192 R193 E197 A198 E199A191-R195 PolarHBondContact O-N 2.77Å; D192-R195 WeakPolarHBondContact O-CB 3.33Å; D192-R195 PolarHBondContact O-N 3.04Å; R193-R195 PolarHBondContact O-N 3.48Å; R195-E197 VanDerWaalsContact C-N 3.29Å; R195-E197 PolarHBondContact O-N 3.09Å; R195-A198 PolarHBondContact O-N 3.12Å; R195-E199 HydrophobicContact CG-CG 4.45Å; R195-E199 IonicContact CZ-OE1 3.09Å; R195-E199 IonicContact NE-OE1 3.68Å; R195-E199 PolarHBondContact NE-OE1 3.21Å; R195-E199 IonicContact NH2-OE1 2.61Å; R195-E199 PolarHBondContact NH2-OE1 3Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 2.89Å
196E85.4Confident82Confident122 Ų122101.7 Ų101.757%0.5748%0.48SS*.Hα-helixtrans-57.5-45.1176.6-72.7174177.700110.8D192 R193 A198 E199 E200D192-E196 WeakPolarHBondContact O-CG 3.08Å; D192-E196 PolarHBondContact O-N 2.99Å; R193-E196 PolarHBondContact O-N 3.42Å; E196-A198 PolarHBondContact O-N 2.98Å; E196-E199 PolarHBondContact O-N 3.36Å; E196-E200 WeakPolarHBondContact O-CB 3.4Å; E196-E200 WeakPolarHBondContact O-CG 3.46Å; E196-E200 PolarHBondContact O-N 2.67Å
197E87.1Confident81Confident89 Ų89100.6 Ų100.642%0.41647%0.466SS..Hα-helixtrans-62.6-39.4176.5-70.7175.8-175.900111.9R193 R195 M201R193-E197 HydrophobicContact CG-CG 4.44Å; R193-E197 IonicContact CZ-OE1 2.7Å; R193-E197 IonicContact NE-OE1 2.65Å; R193-E197 PolarHBondContact NE-OE1 3.26Å; R193-E197 IonicContact NH2-OE1 3.88Å; R193-E197 PolarHBondContact NH2-OE1 3.09Å; R193-E197 VanDerWaalsContact NH2-OE1 3.11Å; R193-E197 WeakPolarHBondContact O-CB 3.5Å; R193-E197 WeakPolarHBondContact O-CG 3.39Å; R193-E197 PolarHBondContact O-N 3.26Å; R195-E197 VanDerWaalsContact C-N 3.29Å; R195-E197 PolarHBondContact O-N 3.09Å; E197-M201 WeakPolarHBondContact O-CB 2.73Å; E197-M201 PolarHBondContact O-N 3.49Å
198A82.1Confident79.9Confident56 Ų56101.4 Ų101.446%0.46348%0.479SS..Hα-helixtrans-67.6-41.5175.600000112.8E194 R195 E196 M201 Q202E194-A198 WeakPolarHBondContact O-CB 3.4Å; E194-A198 PolarHBondContact O-N 3.21Å; R195-A198 PolarHBondContact O-N 3.12Å; E196-A198 PolarHBondContact O-N 2.98Å; A198-M201 PolarHBondContact O-N 3.45Å; A198-Q202 WeakPolarHBondContact O-CB 3.21Å; A198-Q202 PolarHBondContact O-N 2.96Å
199E83.9Confident78.7Confident71 Ų71102.8 Ų102.833%0.33249%0.492SS..Hα-helixtrans-66.3-38.2176.5-73179.9-168.300111.6R195 E196 K203R195-E199 HydrophobicContact CG-CG 4.45Å; R195-E199 IonicContact CZ-OE1 3.09Å; R195-E199 IonicContact NE-OE1 3.68Å; R195-E199 PolarHBondContact NE-OE1 3.21Å; R195-E199 IonicContact NH2-OE1 2.61Å; R195-E199 PolarHBondContact NH2-OE1 3Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 2.89Å; E196-E199 PolarHBondContact O-N 3.36Å; E199-K203 VanDerWaalsContact O-CG 3.28Å; E199-K203 WeakPolarHBondContact O-CG 2.88Å; E199-K203 PolarHBondContact O-N 2.91Å; E199-K203 VanDerWaalsContact O-N 3.11Å
200E86.3Confident77.3Confident135 Ų13599.5 Ų99.563%0.63148%0.482SS*.Hα-helixtrans-64.5-46.3172.3-76.8-173.8168.400111.5E196 Q202 K203 E204E196-E200 WeakPolarHBondContact O-CB 3.4Å; E196-E200 WeakPolarHBondContact O-CG 3.46Å; E196-E200 PolarHBondContact O-N 2.67Å; E200-Q202 VanDerWaalsContact C-N 3.33Å; E200-Q202 PolarHBondContact O-N 3.1Å; E200-K203 PolarHBondContact O-N 3.17Å; E200-E204 PolarHBondContact O-N 3.02Å
201M81.6Confident75.9Confident114 Ų114100.5 Ų100.556%0.56249%0.492SS*.Hα-helixtrans-62.5-39.8177.5-171177.6-64.400111.9E197 A198 K203 E204 M205E197-M201 WeakPolarHBondContact O-CB 2.73Å; E197-M201 PolarHBondContact O-N 3.49Å; A198-M201 PolarHBondContact O-N 3.45Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.3Å; M201-E204 PolarHBondContact O-N 3.27Å; M201-M205 WeakPolarHBondContact O-CB 3.26Å; M201-M205 WeakPolarHBondContact O-CG 3.37Å; M201-M205 PolarHBondContact O-N 3.4Å
202Q75.8Confident74.8Confident87 Ų87106.2 Ų106.241%0.40752%0.517SS..Hα-helixtrans-61.3-43.3175.4-172.5178.58.800111.4A198 E200 G206 L207 G208A198-Q202 WeakPolarHBondContact O-CB 3.21Å; A198-Q202 PolarHBondContact O-N 2.96Å; E200-Q202 VanDerWaalsContact C-N 3.33Å; E200-Q202 PolarHBondContact O-N 3.1Å; Q202-G206 PolarHBondContact O-N 3.07Å; Q202-L207 HydrophobicContact CG-CB 4.09Å; Q202-L207 PolarHBondContact O-N 2.72Å; Q202-L207 VanDerWaalsContact O-N 3.09Å; Q202-G208 PolarHBondContact NE2-O 2.94Å
203K81.6Confident73.9Confident153 Ų153104.3 Ų104.367%0.66551%0.508SS*.Hα-helixtrans-66.2-42.5175.5-72.5168.3-173162.70112.3E199 E200 M201 M205 G206E199-K203 VanDerWaalsContact O-CG 3.28Å; E199-K203 WeakPolarHBondContact O-CG 2.88Å; E199-K203 PolarHBondContact O-N 2.91Å; E199-K203 VanDerWaalsContact O-N 3.11Å; E200-K203 PolarHBondContact O-N 3.17Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.3Å; K203-M205 VanDerWaalsContact C-N 3.35Å; K203-G206 WeakPolarHBondContact O-CA 3.44Å; K203-G206 PolarHBondContact O-N 3.3Å
204E79.2Confident72.7Confident171 Ų171101.2 Ų101.280%0.79950%0.503SS*.Hα-helixtrans-62.7-43.4177.2-175.2-179.4-178.600111.2E200 M201 G206E200-E204 PolarHBondContact O-N 3.02Å; M201-E204 PolarHBondContact O-N 3.27Å; E204-G206 PolarHBondContact O-N 2.89Å; E204-G206 VanDerWaalsContact O-N 3.12Å
205M72.8Confident71.8Confident105 Ų10599.6 Ų99.652%0.51750%0.5SS..THydrogen-bonded Turntrans-70.70.2173.2-67-140-73.900113.1M201 K203 L207 M217M201-M205 WeakPolarHBondContact O-CB 3.26Å; M201-M205 WeakPolarHBondContact O-CG 3.37Å; M201-M205 PolarHBondContact O-N 3.4Å; K203-M205 VanDerWaalsContact C-N 3.35Å; M205-L207 HydrophobicContact CB-CD1 4.23Å; M205-L207 HydrophobicContact CB-CG 3.87Å; M205-L207 HydrophobicContact CE-CD1 4.07Å; M205-L207 WeakPolarHBondContact O-CD2 3.46Å; M205-L207 PolarHBondContact O-N 3.01Å; M205-L207 VanDerWaalsContact O-N 3.09Å; M205-M217 WeakPolarHBondContact O-CE 3.47Å
206G68.6Low71.2Confident35 Ų3598.3 Ų98.336%0.36150%0.501SS..THydrogen-bonded Turntrans57.324177.800000113.9Q202 K203 E204 S213Q202-G206 PolarHBondContact O-N 3.07Å; K203-G206 WeakPolarHBondContact O-CA 3.44Å; K203-G206 PolarHBondContact O-N 3.3Å; E204-G206 PolarHBondContact O-N 2.89Å; E204-G206 VanDerWaalsContact O-N 3.12Å; G206-S213 PolarHBondContact O-OG 3.35Å; G206-S213 VanDerWaalsContact O-OG 3.1Å
207L63.5Low70.4Confident35 Ų3596 Ų9618%0.18349%0.491CS..  trans-82.1116.8178-56.3-172.9000108Q202 M205 L214 M217Q202-L207 HydrophobicContact CG-CB 4.09Å; Q202-L207 PolarHBondContact O-N 2.72Å; Q202-L207 VanDerWaalsContact O-N 3.09Å; M205-L207 HydrophobicContact CB-CD1 4.23Å; M205-L207 HydrophobicContact CB-CG 3.87Å; M205-L207 HydrophobicContact CE-CD1 4.07Å; M205-L207 WeakPolarHBondContact O-CD2 3.46Å; M205-L207 PolarHBondContact O-N 3.01Å; M205-L207 VanDerWaalsContact O-N 3.09Å; L207-L214 HydrophobicContact CD1-CD1 4.08Å; L207-L214 HydrophobicContact CD1-CD2 3.91Å; L207-L214 HydrophobicContact CD1-CG 3.89Å; L207-L214 HydrophobicContact CD2-CB 4.38Å; L207-L214 HydrophobicContact CD2-CD2 3.64Å; L207-L214 HydrophobicContact CD2-CG 3.5Å; L207-L214 VanDerWaalsContact CD2-CG 3.5Å; L207-L214 HydrophobicContact CG-CD2 4.42Å; L207-L214 HydrophobicContact CG-CG 4.25Å; L207-M217 HydrophobicContact CD2-SD 4.39Å
208G60.9Low69.9Low30 Ų3097.1 Ų97.131%0.30950%0.5SS..  trans-66.7-177.8168.400000111.7Q202 D210 S213Q202-G208 PolarHBondContact NE2-O 2.94Å; G208-D210 PolarHBondContact O-N 2.88Å; G208-S213 PolarHBondContact N-OG 3.44Å
209E57.4Low69.5Low199 Ų199100.2 Ų100.293%0.9350%0.503SS*.SBendtrans-71.5-11.9171.8-67.9-176.8168.900112.3
210D56.1Low69.2Low87 Ų87104 Ų10447%0.46552%0.518SS..SBendtrans-103.9131.1-171.947-37.8000112.6G208 E212 S213G208-D210 PolarHBondContact O-N 2.88Å; D210-E212 PolarHBondContact O-N 3.43Å; D210-S213 WeakPolarHBondContact O-CB 3.49Å; D210-S213 PolarHBondContact O-N 2.79Å
211E54.4Low68.8Low147 Ų147101.7 Ų101.769%0.68751%0.51SS*.Hα-helixtrans-54.4-25.1177.5-75.6-176.6165.200113.1S213 L214 V215E211-S213 PolarHBondContact O-N 3.45Å; E211-L214 PolarHBondContact O-N 3.24Å; E211-V215 PolarHBondContact O-N 3Å
212E56.8Low68.4Low132 Ų132101.9 Ų101.962%0.61751%0.51SS*.Hα-helixtrans-62.3-26.5175.9-63.4-166.2166.200112.5D210 V215 M216D210-E212 PolarHBondContact O-N 3.43Å; E212-V215 PolarHBondContact O-N 3.27Å; E212-M216 HydrophobicContact CB-CE 3.99Å; E212-M216 WeakPolarHBondContact O-CB 3.48Å; E212-M216 WeakPolarHBondContact O-CG 3.4Å; E212-M216 PolarHBondContact O-N 3.24Å
213S65.3Low68.3Low20 Ų20102.4 Ų102.414%0.1451%0.512CS..Hα-helixtrans-65.5-44.5-179.5-174.90000112.7G206 G208 D210 E211 M216 M217G206-S213 PolarHBondContact O-OG 3.35Å; G206-S213 VanDerWaalsContact O-OG 3.1Å; G208-S213 PolarHBondContact N-OG 3.44Å; D210-S213 WeakPolarHBondContact O-CB 3.49Å; D210-S213 PolarHBondContact O-N 2.79Å; E211-S213 PolarHBondContact O-N 3.45Å; S213-M216 PolarHBondContact O-N 3.02Å; S213-M217 PolarHBondContact O-N 3.16Å
214L61.8Low68.2Low93 Ų9397.9 Ų97.949%0.48750%0.499SS..Hα-helixtrans-63.2-46.5174.7-95.3158.4000111.6L207 E211 M216 M217 L218L207-L214 HydrophobicContact CD1-CD1 4.08Å; L207-L214 HydrophobicContact CD1-CD2 3.91Å; L207-L214 HydrophobicContact CD1-CG 3.89Å; L207-L214 HydrophobicContact CD2-CB 4.38Å; L207-L214 HydrophobicContact CD2-CD2 3.64Å; L207-L214 HydrophobicContact CD2-CG 3.5Å; L207-L214 VanDerWaalsContact CD2-CG 3.5Å; L207-L214 HydrophobicContact CG-CD2 4.42Å; L207-L214 HydrophobicContact CG-CG 4.25Å; E211-L214 PolarHBondContact O-N 3.24Å; L214-M216 VanDerWaalsContact C-N 3.3Å; L214-M216 PolarHBondContact O-N 2.91Å; L214-M217 PolarHBondContact O-N 3.22Å; L214-L218 WeakPolarHBondContact O-CG 3.42Å; L214-L218 PolarHBondContact O-N 3.36Å
215V66.8Low68.1Low73 Ų7398.6 Ų98.644%0.44250%0.495SS..Hα-helixtrans-63.8-39.3178.3177.20000110.6E211 E212 L218 K219E211-V215 PolarHBondContact O-N 3Å; E212-V215 PolarHBondContact O-N 3.27Å; V215-L218 PolarHBondContact O-N 3.41Å; V215-K219 HydrophobicContact CG1-CD 4.41Å; V215-K219 WeakPolarHBondContact O-CB 3.21Å; V215-K219 WeakPolarHBondContact O-CG 3.2Å; V215-K219 PolarHBondContact O-N 3.48Å
216M68.3Low67.6Low110 Ų11099 Ų9954%0.54250%0.496SS..Hα-helixtrans-65.1-39.9174.8-81.1-160.8-102.200112.1E212 S213 L214 K219 K220E212-M216 HydrophobicContact CB-CE 3.99Å; E212-M216 WeakPolarHBondContact O-CB 3.48Å; E212-M216 WeakPolarHBondContact O-CG 3.4Å; E212-M216 PolarHBondContact O-N 3.24Å; S213-M216 PolarHBondContact O-N 3.02Å; L214-M216 VanDerWaalsContact C-N 3.3Å; L214-M216 PolarHBondContact O-N 2.91Å; M216-K219 PolarHBondContact O-N 2.92Å; M216-K220 VanDerWaalsContact O-CB 3.31Å; M216-K220 WeakPolarHBondContact O-CB 3.47Å; M216-K220 PolarHBondContact O-N 2.88Å
217M67.5Low67.8Low73 Ų73105.8 Ų105.836%0.3651%0.51SS..Hα-helixtrans-62.9-45173.6-84.6-145.917700112.8M205 L207 S213 L214 K219 K220 N221M205-M217 WeakPolarHBondContact O-CE 3.47Å; L207-M217 HydrophobicContact CD2-SD 4.39Å; S213-M217 PolarHBondContact O-N 3.16Å; L214-M217 PolarHBondContact O-N 3.22Å; M217-K219 PolarHBondContact O-N 3.33Å; M217-K220 PolarHBondContact O-N 3.46Å; M217-N221 WeakPolarHBondContact O-CB 3.29Å; M217-N221 PolarHBondContact O-N 3.24Å
218L77.3Confident68.2Low113 Ų113109.3 Ų109.359%0.59253%0.529SS*.Hα-helixtrans-62-43.6177.7-71.8171.9000111.6L214 V215 N221 Q222L214-L218 WeakPolarHBondContact O-CG 3.42Å; L214-L218 PolarHBondContact O-N 3.36Å; V215-L218 PolarHBondContact O-N 3.41Å; L218-N221 PolarHBondContact O-N 3Å; L218-Q222 PolarHBondContact O-N 3.46Å
219K73.6Confident68.1Low121 Ų121113.6 Ų113.653%0.52654%0.539SS..Hα-helixtrans-61.5-43.7173.7-77.1179179.3176.10112V215 M216 M217 N221 Q222 Q223V215-K219 HydrophobicContact CG1-CD 4.41Å; V215-K219 WeakPolarHBondContact O-CB 3.21Å; V215-K219 WeakPolarHBondContact O-CG 3.2Å; V215-K219 PolarHBondContact O-N 3.48Å; M216-K219 PolarHBondContact O-N 2.92Å; M217-K219 PolarHBondContact O-N 3.33Å; K219-N221 VanDerWaalsContact C-N 3.33Å; K219-N221 PolarHBondContact O-N 2.88Å; K219-Q222 PolarHBondContact O-N 3.09Å; K219-Q223 WeakPolarHBondContact O-CB 3.44Å; K219-Q223 VanDerWaalsContact O-CG 3.28Å; K219-Q223 WeakPolarHBondContact O-CG 3.31Å; K219-Q223 PolarHBondContact O-N 2.88Å
220K76.9Confident68.4Low152 Ų152108.8 Ų108.866%0.66152%0.52SS*.Hα-helixtrans-62.6-40.5177.6-171.5179.1179.8-177.40111.6M216 M217 Q223 S224M216-K220 VanDerWaalsContact O-CB 3.31Å; M216-K220 WeakPolarHBondContact O-CB 3.47Å; M216-K220 PolarHBondContact O-N 2.88Å; M217-K220 PolarHBondContact O-N 3.46Å; K220-Q223 PolarHBondContact O-N 3.46Å; K220-S224 WeakPolarHBondContact O-CB 3.28Å; K220-S224 PolarHBondContact O-N 3.33Å
221N78.6Confident69.3Low85 Ų85107.7 Ų107.746%0.45552%0.52SS..Hα-helixtrans-66.9-41.9176-74.3-15000112.1M217 L218 K219 S224 R225M217-N221 WeakPolarHBondContact O-CB 3.29Å; M217-N221 PolarHBondContact O-N 3.24Å; L218-N221 PolarHBondContact O-N 3Å; K219-N221 VanDerWaalsContact C-N 3.33Å; K219-N221 PolarHBondContact O-N 2.88Å; N221-S224 PolarHBondContact O-N 3.01Å; N221-R225 VanDerWaalsContact O-CG 3.29Å; N221-R225 WeakPolarHBondContact O-CG 3.45Å; N221-R225 PolarHBondContact O-N 2.88Å
222Q73.9Confident69.8Low119 Ų119105.3 Ų105.356%0.55651%0.511SS*.Hα-helixtrans-60.1-49.9172.1-85.8178-20.400111.6L218 K219 S224 R225 E226L218-Q222 PolarHBondContact O-N 3.46Å; K219-Q222 PolarHBondContact O-N 3.09Å; Q222-S224 VanDerWaalsContact C-N 3.3Å; Q222-S224 PolarHBondContact O-N 3.42Å; Q222-R225 WeakPolarHBondContact O-CB 3.44Å; Q222-R225 PolarHBondContact O-N 3.37Å; Q222-R225 VanDerWaalsContact O-N 3.09Å; Q222-E226 WeakPolarHBondContact O-CG 3.44Å; Q222-E226 PolarHBondContact O-N 3.48Å
223Q73.1Confident69.9Low97 Ų97102.7 Ų102.745%0.45350%0.501SS..Hα-helixtrans-60.7-38178.1-72.6175.83.100112.5K219 K220 R227K219-Q223 WeakPolarHBondContact O-CB 3.44Å; K219-Q223 VanDerWaalsContact O-CG 3.28Å; K219-Q223 WeakPolarHBondContact O-CG 3.31Å; K219-Q223 PolarHBondContact O-N 2.88Å; K220-Q223 PolarHBondContact O-N 3.46Å; Q223-R227 WeakPolarHBondContact O-CB 3.35Å; Q223-R227 VanDerWaalsContact O-CG 3.23Å; Q223-R227 WeakPolarHBondContact O-CG 3.23Å; Q223-R227 PolarHBondContact O-N 3.44Å
224S79.1Confident69.8Low58 Ų58105 Ų10541%0.40652%0.517SS..Hα-helixtrans-65.5-40.8174.9-170.70000111.9K220 N221 Q222 N228K220-S224 WeakPolarHBondContact O-CB 3.28Å; K220-S224 PolarHBondContact O-N 3.33Å; N221-S224 PolarHBondContact O-N 3.01Å; Q222-S224 VanDerWaalsContact C-N 3.3Å; Q222-S224 PolarHBondContact O-N 3.42Å; S224-N228 WeakPolarHBondContact O-CB 3.4Å; S224-N228 PolarHBondContact O-N 3.39Å; S224-N228 PolarHBondContact O-ND2 3.32Å; S224-N228 PolarHBondContact O-OD1 2.89Å
225R76.9Confident70.1Confident186 Ų186105.6 Ų105.670%0.70252%0.521SS*.Hα-helixtrans-65.2-43.4176.1-71.5171.8-177.4-176.61.7111.4N221 Q222 N228 F229N221-R225 VanDerWaalsContact O-CG 3.29Å; N221-R225 WeakPolarHBondContact O-CG 3.45Å; N221-R225 PolarHBondContact O-N 2.88Å; Q222-R225 WeakPolarHBondContact O-CB 3.44Å; Q222-R225 PolarHBondContact O-N 3.37Å; Q222-R225 VanDerWaalsContact O-N 3.09Å; R225-N228 PolarHBondContact O-N 3.29Å; R225-F229 WeakPolarHBondContact O-CB 3.41Å; R225-F229 PolarHBondContact O-N 3.04Å
226E62.9Low69.4Low114 Ų114105.6 Ų105.653%0.53352%0.518SS..Hα-helixtrans-63.1-43.8175.8-74173.6-177.600112.1Q222 N228 F229 N230Q222-E226 WeakPolarHBondContact O-CG 3.44Å; Q222-E226 PolarHBondContact O-N 3.48Å; E226-N228 PolarHBondContact O-N 2.91Å; E226-F229 PolarHBondContact O-N 2.81Å; E226-N230 WeakPolarHBondContact O-CB 3.33Å; E226-N230 VanDerWaalsContact O-CG 3.25Å; E226-N230 PolarHBondContact O-N 3.03Å; E226-N230 PolarHBondContact O-ND2 2.88Å
227R71.6Confident69Low178 Ų178107 Ų10767%0.67252%0.523SS*.Hα-helixtrans-60.6-45.2175.2-75.4174.6-171.1-174.13.6111.7Q223 F229 N230 S231Q223-R227 WeakPolarHBondContact O-CB 3.35Å; Q223-R227 VanDerWaalsContact O-CG 3.23Å; Q223-R227 WeakPolarHBondContact O-CG 3.23Å; Q223-R227 PolarHBondContact O-N 3.44Å; R227-F229 VanDerWaalsContact C-N 3.33Å; R227-F229 PolarHBondContact O-N 3.43Å; R227-N230 PolarHBondContact O-N 2.93Å; R227-S231 WeakPolarHBondContact O-CB 3.49Å; R227-S231 PolarHBondContact O-N 3.5Å
228N72.1Confident69Low108 Ų108106.7 Ų106.758%0.57853%0.532SS*.Hα-helixtrans-64.4-39.7177.5-68.6-10.2000111.5S224 R225 E226 L232S224-N228 WeakPolarHBondContact O-CB 3.4Å; S224-N228 PolarHBondContact O-N 3.39Å; S224-N228 PolarHBondContact O-ND2 3.32Å; S224-N228 PolarHBondContact O-OD1 2.89Å; R225-N228 PolarHBondContact O-N 3.29Å; E226-N228 PolarHBondContact O-N 2.91Å; N228-L232 WeakPolarHBondContact O-CB 3.48Å; N228-L232 PolarHBondContact O-N 3.28Å
229F60.3Low68.4Low120 Ų120108.9 Ų108.953%0.52654%0.537SS..Hα-helixtrans-66.4-44.4176.1-177.6-106.3000112.3R225 E226 R227 S231 L232 L233R225-F229 WeakPolarHBondContact O-CB 3.41Å; R225-F229 PolarHBondContact O-N 3.04Å; E226-F229 PolarHBondContact O-N 2.81Å; R227-F229 VanDerWaalsContact C-N 3.33Å; R227-F229 PolarHBondContact O-N 3.43Å; F229-S231 VanDerWaalsContact C-N 3.34Å; F229-S231 PolarHBondContact O-N 2.89Å; F229-L232 WeakPolarHBondContact O-CB 3.44Å; F229-L232 PolarHBondContact O-N 3.19Å; F229-L233 HydrophobicContact CD1-CD1 3.86Å; F229-L233 HydrophobicContact CD1-CG 4.38Å; F229-L233 HydrophobicContact CE1-CD1 3.36Å; F229-L233 HydrophobicContact CE1-CG 4.04Å; F229-L233 HydrophobicContact CZ-CD1 3.82Å; F229-L233 HydrophobicContact CZ-CD2 4.3Å; F229-L233 HydrophobicContact CZ-CG 4.11Å; F229-L233 WeakPolarHBondContact O-CG 3.44Å; F229-L233 PolarHBondContact O-N 3.47Å
230N64Low67.4Low98 Ų98111.7 Ų111.752%0.52455%0.545SS..Hα-helixtrans-65.5-36.4176.7-72-25.5000112.2E226 R227 L233 S234E226-N230 WeakPolarHBondContact O-CB 3.33Å; E226-N230 VanDerWaalsContact O-CG 3.25Å; E226-N230 PolarHBondContact O-N 3.03Å; E226-N230 PolarHBondContact O-ND2 2.88Å; R227-N230 PolarHBondContact O-N 2.93Å; N230-L233 PolarHBondContact O-N 3.44Å; N230-S234 WeakPolarHBondContact O-CB 3.47Å; N230-S234 PolarHBondContact O-N 2.93Å
231S73.7Confident66.1Low65 Ų65108 Ų10846%0.45554%0.539SS..Hα-helixtrans-61.8-45.6171.3-168.80000111.2R227 F229 L233 S234 D235R227-S231 WeakPolarHBondContact O-CB 3.49Å; R227-S231 PolarHBondContact O-N 3.5Å; F229-S231 VanDerWaalsContact C-N 3.34Å; F229-S231 PolarHBondContact O-N 2.89Å; S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.42Å; S231-S234 PolarHBondContact O-N 3.24Å; S231-D235 VanDerWaalsContact O-CG 3.29Å; S231-D235 PolarHBondContact O-N 2.94Å
232L65.9Low64.7Low97 Ų97113.8 Ų113.851%0.50856%0.556SS.*Hα-helixtrans-63.3-38.1178-176.6145.1000112.3N228 F229 L236N228-L232 WeakPolarHBondContact O-CB 3.48Å; N228-L232 PolarHBondContact O-N 3.28Å; F229-L232 WeakPolarHBondContact O-CB 3.44Å; F229-L232 PolarHBondContact O-N 3.19Å; L232-L236 HydrophobicContact CD2-CD1 3.65Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-L236 WeakPolarHBondContact O-CG 3.2Å; L232-L236 PolarHBondContact O-N 3.04Å
233L57.3Low63.5Low77 Ų77115.7 Ų115.740%0.40356%0.564SS.*Hα-helixtrans-66.5-41.9173.5-74.5179.7000112.3F229 N230 S231 D235 L236 E237F229-L233 HydrophobicContact CD1-CD1 3.86Å; F229-L233 HydrophobicContact CD1-CG 4.38Å; F229-L233 HydrophobicContact CE1-CD1 3.36Å; F229-L233 HydrophobicContact CE1-CG 4.04Å; F229-L233 HydrophobicContact CZ-CD1 3.82Å; F229-L233 HydrophobicContact CZ-CD2 4.3Å; F229-L233 HydrophobicContact CZ-CG 4.11Å; F229-L233 WeakPolarHBondContact O-CG 3.44Å; F229-L233 PolarHBondContact O-N 3.47Å; N230-L233 PolarHBondContact O-N 3.44Å; S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.42Å; L233-D235 VanDerWaalsContact C-N 3.35Å; L233-L236 PolarHBondContact O-N 2.84Å; L233-E237 WeakPolarHBondContact O-CB 3.4Å; L233-E237 PolarHBondContact O-N 3.08Å
234S64.8Low62.2Low68 Ų68115 Ų11548%0.47658%0.576SS.*Hα-helixtrans-63-40.1175.3-176.90000112.1N230 S231 E237 A238N230-S234 WeakPolarHBondContact O-CB 3.47Å; N230-S234 PolarHBondContact O-N 2.93Å; S231-S234 PolarHBondContact O-N 3.24Å; S234-E237 PolarHBondContact O-N 3.22Å; S234-A238 WeakPolarHBondContact O-CB 3.49Å; S234-A238 PolarHBondContact O-N 3.27Å
235D68.3Low60.6Low106 Ų106118.1 Ų118.157%0.56759%0.594SS**Hα-helixtrans-67.8-37.3177.2-69.9-25.2000111.6S231 L233 K239S231-D235 VanDerWaalsContact O-CG 3.29Å; S231-D235 PolarHBondContact O-N 2.94Å; L233-D235 VanDerWaalsContact C-N 3.35Å; D235-K239 WeakPolarHBondContact O-CB 3.42Å; D235-K239 PolarHBondContact O-N 3.32Å
236L51.8Low59.1Low73 Ų73120.1 Ų120.138%0.38260%0.602SS.*Hα-helixtrans-65.1-48.1172-81.7166.2000111.1L232 L233 A238 K239 Y240L232-L236 HydrophobicContact CD2-CD1 3.65Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-L236 WeakPolarHBondContact O-CG 3.2Å; L232-L236 PolarHBondContact O-N 3.04Å; L233-L236 PolarHBondContact O-N 2.84Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 3.42Å; L236-K239 WeakPolarHBondContact O-CB 3.45Å; L236-K239 PolarHBondContact O-N 3.03Å; L236-K239 VanDerWaalsContact O-N 3.08Å; L236-Y240 HydrophobicContact CD2-CD2 4.19Å; L236-Y240 HydrophobicContact CD2-CE2 3.67Å; L236-Y240 WeakPolarHBondContact O-CD2 3.45Å; L236-Y240 PolarHBondContact O-N 3.41Å
237E60.3Low58.1Low138 Ų138123.8 Ų123.865%0.64562%0.619SS**Hα-helixtrans-57.9-46.1178.6-173.6176.4-166.200111.2L233 S234 K239 Y240 S241L233-E237 WeakPolarHBondContact O-CB 3.4Å; L233-E237 PolarHBondContact O-N 3.08Å; S234-E237 PolarHBondContact O-N 3.22Å; E237-K239 PolarHBondContact O-N 2.97Å; E237-Y240 PolarHBondContact O-N 2.85Å; E237-S241 WeakPolarHBondContact O-CB 3.11Å; E237-S241 PolarHBondContact O-N 3.27Å; E237-S241 PolarHBondContact O-OG 2.62Å
238A67.3Low56.9Low68 Ų68124.2 Ų124.256%0.56263%0.628SS**Hα-helixtrans-61.1-33176.600000113S234 L236S234-A238 WeakPolarHBondContact O-CB 3.49Å; S234-A238 PolarHBondContact O-N 3.27Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 3.42Å
239K63.5Low55.3Low158 Ų158124.2 Ų124.269%0.68764%0.637SS**Hα-helixtrans-77.2-30.2-179.7-167175.2-176.5179.20113.2D235 L236 E237D235-K239 WeakPolarHBondContact O-CB 3.42Å; D235-K239 PolarHBondContact O-N 3.32Å; L236-K239 WeakPolarHBondContact O-CB 3.45Å; L236-K239 PolarHBondContact O-N 3.03Å; L236-K239 VanDerWaalsContact O-N 3.08Å; E237-K239 PolarHBondContact O-N 2.97Å
240Y52.8Low54.4Low180 Ų180122.2 Ų122.271%0.70665%0.65SS**Hα-helixtrans-105.7-9.2-176.4-69.6-76.9000114.4L236 E237L236-Y240 HydrophobicContact CD2-CD2 4.19Å; L236-Y240 HydrophobicContact CD2-CE2 3.67Å; L236-Y240 WeakPolarHBondContact O-CD2 3.45Å; L236-Y240 PolarHBondContact O-N 3.41Å; E237-Y240 PolarHBondContact O-N 2.85Å
241S49.9Very low53.4Low74 Ų74127.4 Ų127.452%0.51767%0.668SS.*  trans-91.41.2176.860.30000114.7E237 E243E237-S241 WeakPolarHBondContact O-CB 3.11Å; E237-S241 PolarHBondContact O-N 3.27Å; E237-S241 PolarHBondContact O-OG 2.62Å; S241-E243 PolarHBondContact O-N 3.36Å
242Y48.5Very low51.9Low208 Ų208133 Ų13382%0.81669%0.687SS**  trans-72.292.5173.6-151-89.6000110A244Y242-A244 PolarHBondContact O-N 2.92Å
243E50.4Low50.6Low158 Ų158137.3 Ų137.374%0.73870%0.704SS**PPolyproline II helixtrans-56.1127.2171.4-68.2-169.3159.900110.4S241S241-E243 PolarHBondContact O-N 3.36Å
244A45.7Very low49.9Very low83 Ų83139.3 Ų139.369%0.68672%0.719SS**PPolyproline II helixtrans-58.7141.5174.600000111.1Y242 R246Y242-A244 PolarHBondContact O-N 2.92Å; A244-R246 PolarHBondContact O-N 3.2Å
245P45.5Very low48.6Very low123 Ų123147.4 Ų147.480%0.79976%0.756SS**PPolyproline II helixtrans-64.1123.1-178.625.7-31.4000110.1H247P245-H247 PolarHBondContact O-N 3.33Å
246R44.5Very low47.6Very low229 Ų229149.5 Ų149.586%0.86477%0.765SS**  trans-61.9115.6180-71.6-175.2-175.9178.22.4110.7A244 Q248A244-R246 PolarHBondContact O-N 3.2Å; R246-Q248 PolarHBondContact O-N 3.18Å
247H42.4Very low47.4Very low190 Ų190153.5 Ų153.588%0.8879%0.786SS**  trans-73.1111.2171-135.8-32.4000109.3P245 S249P245-H247 PolarHBondContact O-N 3.33Å; H247-S249 PolarHBondContact O-N 3.35Å
248Q45.9Very low46.7Very low188 Ų188154.3 Ų154.388%0.87979%0.793SS**  trans-76.3108.4168-78179.7-6.300109.1R246R246-Q248 PolarHBondContact O-N 3.18Å
249S38.2Very low45.5Very low107 Ų107159.4 Ų159.475%0.74881%0.807SS**  trans-94.6113.2166.564.10000109.5H247H247-S249 PolarHBondContact O-N 3.35Å
250G41.8Very low44.3Very low79 Ų79159.5 Ų159.581%0.81481%0.814SS**  trans-62.3141170.100000111.7
251K43.3Very low43.8Very low206 Ų206158.1 Ų158.190%0.89682%0.822SS**  trans-105.2105.3164.6-80.4-175.8175.4-179.10108.1
252E42.7Very low43.3Very low183 Ų183164.1 Ų164.186%0.85584%0.843SS**  trans-74.8131.6148.8-78.8-177.6142.400108.2
253H38.4Very low42.9Very low187 Ų187160.8 Ų160.887%0.86685%0.846SS**  trans-161.9100.1138.2-106.5-60.2000110.2
254V42.5Very low42.3Very low120 Ų120161 Ų16173%0.72786%0.855SS**  trans11.2117.6135.4-173.90000116.7
255L36.6Very low42Very low237 Ų237168.1 Ų168.1100%1.24187%0.87SS**  -159.60103.5-90.8173.6000110.1

Retrieved 255 of 255 residues in 497.3 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).