A0A087YL55_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 A0A087YL55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 aa.

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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
1M60.3Low83.3Confident137 Ų13763 Ų6368%0.67529%0.286SS*.  0106.70-63.9-60.4-80.500106.1E5 R6 E9M1-E5 VanDerWaalsContact CA-OE2 3.26Å; M1-E5 WeakPolarHBondContact CA-OE2 3.09Å; M1-R6 HydrophobicContact CB-CG 4.4Å; M1-E9 WeakPolarHBondContact CE-OE1 3.42Å
2G79.1Confident83.7Confident12 Ų1269.8 Ų69.812%0.12433%0.326CS..  trans-72.6164.3-172.700000113.4L4 E5 R6 E84G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 3.46Å; G2-E5 PolarHBondContact N-OE2 3.2Å; G2-E5 WeakPolarHBondContact O-CB 3.35Å; G2-E5 PolarHBondContact O-N 3.06Å; G2-E5 VanDerWaalsContact O-N 3.16Å; G2-R6 WeakPolarHBondContact O-CG 3.4Å; G2-R6 PolarHBondContact O-N 2.94Å; G2-E84 WeakPolarHBondContact CA-OE1 3.38Å; G2-E84 WeakPolarHBondContact CA-OE2 3.2Å
3L81.6Confident84Confident9 Ų966.2 Ų66.25%0.04731%0.312CS..Hα-helixtrans-56.5-44.5-179.3-177.964.1000111.2E5 R6 C7 V59 K62 V66 V82 E84L3-E5 VanDerWaalsContact C-N 3.33Å; L3-E5 PolarHBondContact O-N 3.28Å; L3-R6 PolarHBondContact O-N 3.24Å; L3-C7 PolarHBondContact O-N 2.91Å; L3-C7 PolarHBondContact O-SG 2.95Å; L3-V59 HydrophobicContact CD1-CG1 4.1Å; L3-K62 HydrophobicContact CD1-CB 3.55Å; L3-K62 HydrophobicContact CD1-CD 4.1Å; L3-K62 HydrophobicContact CD1-CG 4.48Å; L3-K62 HydrophobicContact CD2-CB 4.22Å; L3-V66 HydrophobicContact CD2-CG2 4.08Å; L3-V82 HydrophobicContact CD2-CG1 3.91Å; L3-V82 HydrophobicContact CD2-CG2 4.35Å; L3-E84 PolarHBondContact N-OE1 3.05Å
4L85.8Confident84.1Confident36 Ų3664.6 Ų64.619%0.18831%0.312CS..Hα-helixtrans-67.3-33.5-179.9-59.9175.2000112.7G2 R8 S14 L16 Y76 G80 V82G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 3.46Å; L4-R8 PolarHBondContact O-N 3.19Å; L4-R8 VanDerWaalsContact O-N 3.09Å; L4-S14 WeakPolarHBondContact CD2-O 3.39Å; L4-L16 HydrophobicContact CD2-CD2 3.79Å; L4-L16 HydrophobicContact CD2-CG 4.15Å; L4-Y76 HydrophobicContact CD2-CE2 3.91Å; L4-G80 WeakPolarHBondContact CD1-O 3.27Å; L4-V82 HydrophobicContact CD2-CG2 4.02Å; L4-V82 HydrophobicContact CG-CG2 4.21Å
5E86.3Confident84.4Confident100 Ų10063.6 Ų63.647%0.46731%0.309SS..Hα-helixtrans-68.8-43.7174.8-62.5178.4152.700110.4M1 G2 L3 C7 R8 E9M1-E5 VanDerWaalsContact CA-OE2 3.26Å; M1-E5 WeakPolarHBondContact CA-OE2 3.09Å; G2-E5 PolarHBondContact N-OE2 3.2Å; G2-E5 WeakPolarHBondContact O-CB 3.35Å; G2-E5 PolarHBondContact O-N 3.06Å; G2-E5 VanDerWaalsContact O-N 3.16Å; L3-E5 VanDerWaalsContact C-N 3.33Å; L3-E5 PolarHBondContact O-N 3.28Å; E5-C7 VanDerWaalsContact C-N 3.34Å; E5-C7 PolarHBondContact O-N 3.46Å; E5-R8 WeakPolarHBondContact O-CB 3.48Å; E5-R8 PolarHBondContact O-N 3.06Å; E5-R8 VanDerWaalsContact O-N 3.11Å; E5-E9 WeakPolarHBondContact O-CG 3.15Å; E5-E9 PolarHBondContact O-N 3.41Å
6R86.2Confident84.7Confident86 Ų8659.6 Ų59.633%0.32529%0.289SS..Hα-helixtrans-63.7-38.4175.3-66.3-54.5-162167.210112.5M1 G2 L3 R8 E9 L10 V59M1-R6 HydrophobicContact CB-CG 4.4Å; G2-R6 WeakPolarHBondContact O-CG 3.4Å; G2-R6 PolarHBondContact O-N 2.94Å; L3-R6 PolarHBondContact O-N 3.24Å; R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.34Å; R6-E9 WeakPolarHBondContact CD-OE2 3.27Å; R6-E9 IonicContact CZ-OE2 3.83Å; R6-E9 IonicContact NE-OE2 3.99Å; R6-E9 IonicContact NH1-OE2 2.91Å; R6-E9 PolarHBondContact NH1-OE2 3.39Å; R6-E9 PolarHBondContact O-N 3.1Å; R6-L10 WeakPolarHBondContact O-CB 3.33Å; R6-L10 WeakPolarHBondContact O-CG 3.31Å; R6-L10 PolarHBondContact O-N 3.24Å; R6-V59 HydrophobicContact CB-CG1 4.34Å; R6-V59 HydrophobicContact CB-CG2 3.82Å
7C87Confident85.1Confident0 Ų056.6 Ų56.60%027%0.274CS..Hα-helixtrans-60.2-42171.8-69.90000111.4L3 E5 F11 N12 T13 V19 V59L3-C7 PolarHBondContact O-N 2.91Å; L3-C7 PolarHBondContact O-SG 2.95Å; E5-C7 VanDerWaalsContact C-N 3.34Å; E5-C7 PolarHBondContact O-N 3.46Å; C7-F11 CarbonylContact O-C 3.59Å; C7-F11 WeakPolarHBondContact O-CA 3.35Å; C7-F11 WeakPolarHBondContact O-CB 3.45Å; C7-F11 PolarHBondContact O-N 2.94Å; C7-N12 PolarHBondContact O-N 3.02Å; C7-T13 CarbonylContact C-O 3.59Å; C7-T13 VanDerWaalsContact CB-O 3.29Å; C7-T13 WeakPolarHBondContact CB-O 3.47Å; C7-T13 VanDerWaalsContact O-O 3.08Å; C7-V19 HydrophobicContact CB-CG2 4.29Å; C7-V59 VanDerWaalsContact SG-CG1 3.54Å
8R88.9Confident85.3Confident157 Ų15759.8 Ų59.859%0.59229%0.289SS*.Hα-helixtrans-64.9-40.6177.1-174.2-178-67.3171.90.7112.3L4 E5 R6 N12 T13 S14L4-R8 PolarHBondContact O-N 3.19Å; L4-R8 VanDerWaalsContact O-N 3.09Å; E5-R8 WeakPolarHBondContact O-CB 3.48Å; E5-R8 PolarHBondContact O-N 3.06Å; E5-R8 VanDerWaalsContact O-N 3.11Å; R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.34Å; R8-N12 VanDerWaalsContact O-CA 3.23Å; R8-N12 WeakPolarHBondContact O-CA 3.47Å; R8-N12 PolarHBondContact O-N 3.48Å; R8-T13 WeakPolarHBondContact CA-O 3.39Å; R8-T13 PolarHBondContact N-O 3.33Å; R8-T13 VanDerWaalsContact N-O 3.13Å; R8-S14 PolarHBondContact NH2-OG 3.28Å
9E88.8Confident85.5Confident96 Ų9657.4 Ų57.445%0.44928%0.278SS..Hα-helixtrans-67.7-41.6178.5-72.2177.5167.100112.7M1 E5 R6M1-E9 WeakPolarHBondContact CE-OE1 3.42Å; E5-E9 WeakPolarHBondContact O-CG 3.15Å; E5-E9 PolarHBondContact O-N 3.41Å; R6-E9 WeakPolarHBondContact CD-OE2 3.27Å; R6-E9 IonicContact CZ-OE2 3.83Å; R6-E9 IonicContact NE-OE2 3.99Å; R6-E9 IonicContact NH1-OE2 2.91Å; R6-E9 PolarHBondContact NH1-OE2 3.39Å; R6-E9 PolarHBondContact O-N 3.1Å
10L87Confident85.6Confident14 Ų1454.7 Ų54.77%0.07327%0.265CS..Hα-helixtrans-96.9-28.8-169-64.4176000114.2R6 Q52 E55 K56 V59R6-L10 WeakPolarHBondContact O-CB 3.33Å; R6-L10 WeakPolarHBondContact O-CG 3.31Å; R6-L10 PolarHBondContact O-N 3.24Å; L10-Q52 HydrophobicContact CD2-CB 4.29Å; L10-E55 HydrophobicContact CD1-CB 4.13Å; L10-K56 HydrophobicContact CB-CG 3.91Å; L10-K56 HydrophobicContact CD1-CG 4.26Å; L10-K56 HydrophobicContact CD2-CG 4.22Å; L10-K56 HydrophobicContact CG-CG 4.37Å; L10-K56 WeakPolarHBondContact O-CE 3.19Å; L10-V59 HydrophobicContact CD1-CB 4.16Å; L10-V59 HydrophobicContact CD1-CG2 3.75Å
11F85.3Confident85.7Confident46 Ų4655 Ų5520%0.20228%0.283CS..Hα-helixtrans-123.35.3-175.3-62.9-83.3000113.1C7 T13 V19 V42 K56 V59 L60C7-F11 CarbonylContact O-C 3.59Å; C7-F11 WeakPolarHBondContact O-CA 3.35Å; C7-F11 WeakPolarHBondContact O-CB 3.45Å; C7-F11 PolarHBondContact O-N 2.94Å; F11-T13 HydrophobicContact CB-CG2 4.48Å; F11-T13 PolarHBondContact O-N 3.43Å; F11-T13 VanDerWaalsContact O-N 3.08Å; F11-V19 HydrophobicContact CB-CG1 4.23Å; F11-V19 HydrophobicContact CB-CG2 4Å; F11-V19 HydrophobicContact CD1-CG1 3.83Å; F11-V19 HydrophobicContact CD2-CG1 3.89Å; F11-V19 HydrophobicContact CE1-CG1 4.08Å; F11-V19 HydrophobicContact CE2-CG1 4.15Å; F11-V19 HydrophobicContact CG-CG1 3.72Å; F11-V19 HydrophobicContact CG-CG2 4.31Å; F11-V19 HydrophobicContact CZ-CG1 4.23Å; F11-V42 HydrophobicContact CE1-CG1 4.17Å; F11-V42 HydrophobicContact CZ-CG1 4.46Å; F11-K56 HydrophobicContact CE2-CB 4.29Å; F11-K56 HydrophobicContact CE2-CG 4.3Å; F11-K56 HydrophobicContact CZ-CB 3.81Å; F11-K56 HydrophobicContact CZ-CG 4.04Å; F11-V59 HydrophobicContact CE2-CB 4.47Å; F11-V59 HydrophobicContact CE2-CG1 4.14Å; F11-L60 HydrophobicContact CZ-CB 4.42Å
12N88.4Confident87.2Confident145 Ų14549.6 Ų49.678%0.77526%0.257SS*.SBendtrans58.717.3179.6-62.522.5000114.6C7 R8C7-N12 PolarHBondContact O-N 3.02Å; R8-N12 VanDerWaalsContact O-CA 3.23Å; R8-N12 WeakPolarHBondContact O-CA 3.47Å; R8-N12 PolarHBondContact O-N 3.48Å
13T87.6Confident87.7Confident23 Ų2354.2 Ų54.214%0.14128%0.279CS..  trans-142.9144.6175.4-175.80000110.8C7 R8 F11 N15 E18 V19C7-T13 CarbonylContact C-O 3.59Å; C7-T13 VanDerWaalsContact CB-O 3.29Å; C7-T13 WeakPolarHBondContact CB-O 3.47Å; C7-T13 VanDerWaalsContact O-O 3.08Å; R8-T13 WeakPolarHBondContact CA-O 3.39Å; R8-T13 PolarHBondContact N-O 3.33Å; R8-T13 VanDerWaalsContact N-O 3.13Å; F11-T13 HydrophobicContact CB-CG2 4.48Å; F11-T13 PolarHBondContact O-N 3.43Å; F11-T13 VanDerWaalsContact O-N 3.08Å; T13-N15 PolarHBondContact OG1-N 2.73Å; T13-N15 VanDerWaalsContact OG1-N 3.14Å; T13-E18 HydrophobicContact CG2-CB 3.89Å; T13-E18 PolarHBondContact OG1-OE2 3.16Å; T13-V19 HydrophobicContact CG2-CB 4.5Å; T13-V19 HydrophobicContact CG2-CG2 3.5Å; T13-V19 VanDerWaalsContact CG2-CG2 3.5Å
14S85.1Confident88Confident44 Ų4458.6 Ų58.631%0.30830%0.297SS..SBendtrans-95.11.6171.348.40000112.7L4 R8L4-S14 WeakPolarHBondContact CD2-O 3.39Å; R8-S14 PolarHBondContact NH2-OG 3.28Å
15N88.5Confident88Confident49 Ų4965.2 Ų65.226%0.26233%0.327SS..  trans-92.8118.4178.4-177.2-13.9000110.3T13 Y17 E18 V19T13-N15 PolarHBondContact OG1-N 2.73Å; T13-N15 VanDerWaalsContact OG1-N 3.14Å; N15-Y17 VanDerWaalsContact C-N 3.26Å; N15-Y17 PolarHBondContact O-N 2.57Å; N15-Y17 PolarHBondContact OD1-N 2.9Å; N15-E18 HydrophobicContact CB-CB 4.02Å; N15-E18 HydrophobicContact CB-CG 3.9Å; N15-E18 PolarHBondContact ND2-OE1 3.4Å; N15-E18 PolarHBondContact O-N 2.88Å; N15-V19 WeakPolarHBondContact O-CG2 3.28Å; N15-V19 PolarHBondContact O-N 2.89Å
16L89.4Confident88.1Confident0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-62.9-33.8-175.9-59.9-175.1000112.4L4 L20 L63 V66 L67 Y76 V82L4-L16 HydrophobicContact CD2-CD2 3.79Å; L4-L16 HydrophobicContact CD2-CG 4.15Å; L16-L20 PolarHBondContact O-N 2.91Å; L16-L63 HydrophobicContact CB-CD1 3.87Å; L16-L63 HydrophobicContact CB-CD2 4.28Å; L16-L63 HydrophobicContact CB-CG 3.77Å; L16-L63 HydrophobicContact CD1-CG 4.37Å; L16-L63 HydrophobicContact CD2-CB 4.21Å; L16-L63 HydrophobicContact CD2-CD1 3.53Å; L16-L63 HydrophobicContact CD2-CG 3.63Å; L16-L63 HydrophobicContact CG-CD1 4.23Å; L16-L63 HydrophobicContact CG-CG 4.08Å; L16-V66 HydrophobicContact CD1-CB 4.2Å; L16-V66 HydrophobicContact CD1-CG1 3.92Å; L16-L67 HydrophobicContact CB-CD1 3.88Å; L16-L67 HydrophobicContact CB-CD2 4.17Å; L16-L67 HydrophobicContact CB-CG 4.13Å; L16-L67 HydrophobicContact CD1-CD2 4.25Å; L16-L67 HydrophobicContact CD1-CG 4.34Å; L16-Y76 HydrophobicContact CB-CE1 3.94Å; L16-Y76 HydrophobicContact CD1-CD1 4.14Å; L16-Y76 HydrophobicContact CD1-CD2 3.93Å; L16-Y76 HydrophobicContact CD1-CE1 3.97Å; L16-Y76 HydrophobicContact CD1-CE2 3.78Å; L16-Y76 HydrophobicContact CD1-CG 4.11Å; L16-Y76 HydrophobicContact CG-CD2 4.47Å; L16-Y76 HydrophobicContact CG-CE1 3.95Å; L16-Y76 HydrophobicContact CG-CE2 3.82Å; L16-Y76 PolarHBondContact N-OH 2.91Å; L16-V82 HydrophobicContact CD1-CG2 4.01Å
17Y90.9Very high88.2Confident8 Ų859.5 Ų59.53%0.03131%0.313CS..Hα-helixtrans-70.3-36.5178.6-62.9-74.8000112.1N15 L20 G21 V22 K24 L67 R73 Y76 D77N15-Y17 VanDerWaalsContact C-N 3.26Å; N15-Y17 PolarHBondContact O-N 2.57Å; N15-Y17 PolarHBondContact OD1-N 2.9Å; Y17-L20 CarbonylContact O-C 3.54Å; Y17-L20 PolarHBondContact O-N 3.22Å; Y17-G21 PolarHBondContact O-N 2.97Å; Y17-V22 CarbonylContact C-O 2.97Å; Y17-V22 WeakPolarHBondContact CB-O 3.29Å; Y17-V22 HydrophobicContact CD1-CG2 3.96Å; Y17-V22 PolarHBondContact O-N 3.43Å; Y17-K24 HydrophobicContact CD2-CB 4.31Å; Y17-K24 HydrophobicContact CD2-CG 4.39Å; Y17-K24 HydrophobicContact CE2-CB 4.23Å; Y17-K24 HydrophobicContact CE2-CG 3.84Å; Y17-L67 HydrophobicContact CD1-CD1 4.06Å; Y17-L67 HydrophobicContact CD1-CD2 4.3Å; Y17-L67 HydrophobicContact CE1-CD1 4.19Å; Y17-L67 HydrophobicContact CE1-CD2 3.72Å; Y17-L67 HydrophobicContact CE2-CD2 4.17Å; Y17-R73 WeakPolarHBondContact OH-CG 3.47Å; Y17-R73 PolarHBondContact OH-NE 3.44Å; Y17-Y76 AromaticContact CD2-CE1 4Å; Y17-Y76 HydrophobicContact CD2-CE1 4Å; Y17-Y76 AromaticContact CE2-CD1 3.96Å; Y17-Y76 HydrophobicContact CE2-CD1 3.96Å; Y17-Y76 AromaticContact CE2-CE1 3.68Å; Y17-Y76 HydrophobicContact CE2-CE1 3.68Å; Y17-D77 VanDerWaalsContact CE2-OD1 3.25Å; Y17-D77 WeakPolarHBondContact CE2-OD1 3.36Å; Y17-D77 VanDerWaalsContact OH-CG 3.22Å; Y17-D77 PolarHBondContact OH-OD1 2.67Å; Y17-D77 PolarHBondContact OH-OD2 3.04Å; Y17-D77 VanDerWaalsContact OH-OD2 3.12Å
18E89.5Confident88.1Confident115 Ų11564.5 Ų64.554%0.53734%0.336SS..Hα-helixtrans-68.3-37.3177.3-73.5170.6-153.300112T13 N15 L20 G21T13-E18 HydrophobicContact CG2-CB 3.89Å; T13-E18 PolarHBondContact OG1-OE2 3.16Å; N15-E18 HydrophobicContact CB-CB 4.02Å; N15-E18 HydrophobicContact CB-CG 3.9Å; N15-E18 PolarHBondContact ND2-OE1 3.4Å; N15-E18 PolarHBondContact O-N 2.88Å; E18-L20 PolarHBondContact O-N 3.35Å; E18-G21 PolarHBondContact O-N 3.31Å
19V88.7Confident87.9Confident14 Ų1460.2 Ų60.29%0.08533%0.334CS..Hα-helixtrans-58.6-38.5173.6179.30000111C7 F11 T13 N15 L60 L63C7-V19 HydrophobicContact CB-CG2 4.29Å; F11-V19 HydrophobicContact CB-CG1 4.23Å; F11-V19 HydrophobicContact CB-CG2 4Å; F11-V19 HydrophobicContact CD1-CG1 3.83Å; F11-V19 HydrophobicContact CD2-CG1 3.89Å; F11-V19 HydrophobicContact CE1-CG1 4.08Å; F11-V19 HydrophobicContact CE2-CG1 4.15Å; F11-V19 HydrophobicContact CG-CG1 3.72Å; F11-V19 HydrophobicContact CG-CG2 4.31Å; F11-V19 HydrophobicContact CZ-CG1 4.23Å; T13-V19 HydrophobicContact CG2-CB 4.5Å; T13-V19 HydrophobicContact CG2-CG2 3.5Å; T13-V19 VanDerWaalsContact CG2-CG2 3.5Å; N15-V19 WeakPolarHBondContact O-CG2 3.28Å; N15-V19 PolarHBondContact O-N 2.89Å; V19-L60 HydrophobicContact CG1-CD1 4.04Å; V19-L63 HydrophobicContact CB-CD1 3.54Å; V19-L63 HydrophobicContact CG1-CD1 3.72Å; V19-L63 HydrophobicContact CG2-CD1 3.79Å
20L87.4Confident87.8Confident3 Ų359 Ų592%0.01633%0.331CS..Hα-helixtrans-81.2-13.3175.2-70-175.9000113.7L16 Y17 E18 V22 I31 N34 Y35 L60 L63 L67L16-L20 PolarHBondContact O-N 2.91Å; Y17-L20 CarbonylContact O-C 3.54Å; Y17-L20 PolarHBondContact O-N 3.22Å; E18-L20 PolarHBondContact O-N 3.35Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 HydrophobicContact CB-CG1 4.45Å; L20-V22 HydrophobicContact CB-CG2 3.86Å; L20-I31 HydrophobicContact CD1-CG2 3.83Å; L20-N34 WeakPolarHBondContact O-CB 2.83Å; L20-Y35 HydrophobicContact CD2-CD2 4.24Å; L20-L60 HydrophobicContact CD2-CD1 3.8Å; L20-L63 HydrophobicContact CD1-CD2 3.67Å; L20-L63 HydrophobicContact CD2-CD2 4.04Å; L20-L63 HydrophobicContact CG-CD2 3.57Å; L20-L67 HydrophobicContact CD1-CD1 3.63Å
21G88.3Confident87.8Confident62 Ų6258.4 Ų58.464%0.63933%0.328SS*.THydrogen-bonded Turntrans66.933.2-17400000113.4Y17 E18Y17-G21 PolarHBondContact O-N 2.97Å; E18-G21 PolarHBondContact O-N 3.31Å
22V91.3Very high87.8Confident22 Ų2262 Ų6213%0.13334%0.34CS..  trans-117.8162.5177.8-630000111.2Y17 L20 A26 I31 N34Y17-V22 CarbonylContact C-O 2.97Å; Y17-V22 WeakPolarHBondContact CB-O 3.29Å; Y17-V22 HydrophobicContact CD1-CG2 3.96Å; Y17-V22 PolarHBondContact O-N 3.43Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 HydrophobicContact CB-CG1 4.45Å; L20-V22 HydrophobicContact CB-CG2 3.86Å; V22-A26 HydrophobicContact CB-CB 3.88Å; V22-A26 HydrophobicContact CG2-CB 4.23Å; V22-I31 HydrophobicContact CG2-CG1 4.45Å; V22-N34 HydrophobicContact CG1-CB 3.55Å; V22-N34 WeakPolarHBondContact CG1-ND2 3.44Å
23N89.8Confident87.7Confident110 Ų11061.2 Ų61.259%0.58833%0.33SS*.  trans-83.4157.8173-161.1-12.2000110.7E25 A26N23-E25 PolarHBondContact O-N 3.13Å; N23-A26 WeakPolarHBondContact O-CB 3.47Å; N23-A26 PolarHBondContact O-N 3.33Å
24K87.2Confident87.7Confident100 Ų10061.7 Ų61.744%0.43533%0.331SS..THydrogen-bonded Turntrans-56.3-32.1174.6-174.2175.6-175.7176.10112.3Y17 A26 R73 D77Y17-K24 HydrophobicContact CD2-CB 4.31Å; Y17-K24 HydrophobicContact CD2-CG 4.39Å; Y17-K24 HydrophobicContact CE2-CB 4.23Å; Y17-K24 HydrophobicContact CE2-CG 3.84Å; K24-A26 VanDerWaalsContact C-N 3.26Å; K24-A26 PolarHBondContact O-N 3.34Å; K24-R73 PolarHBondContact O-NH2 3.49Å; K24-D77 WeakPolarHBondContact CE-OD1 3.46Å; K24-D77 PolarHBondContact NZ-O 3.38Å
25E86.8Confident87.9Confident175 Ų17559.6 Ų59.682%0.81832%0.317SS*.THydrogen-bonded Turntrans-81.85.1177.6-62.6175.3-18000113.9N23N23-E25 PolarHBondContact O-N 3.13Å
26A87.2Confident87.6Confident13 Ų1362 Ų6211%0.10732%0.322CS..  trans-62.6140.8-17700000112.5V22 N23 K24 D30 I31 R73V22-A26 HydrophobicContact CB-CB 3.88Å; V22-A26 HydrophobicContact CG2-CB 4.23Å; N23-A26 WeakPolarHBondContact O-CB 3.47Å; N23-A26 PolarHBondContact O-N 3.33Å; K24-A26 VanDerWaalsContact C-N 3.26Å; K24-A26 PolarHBondContact O-N 3.34Å; A26-D30 HydrophobicContact CB-CB 4.1Å; A26-I31 HydrophobicContact CB-CG1 4.19Å; A26-R73 PolarHBondContact O-NH1 3.44Å; A26-R73 VanDerWaalsContact O-NH1 3.14Å; A26-R73 PolarHBondContact O-NH2 3.24Å
27S89.1Confident87.5Confident54 Ų5466.8 Ų66.838%0.37834%0.344SS..  trans-68.4159.5174.673.40000111.3A29 D30 I31S27-A29 PolarHBondContact O-N 2.95Å; S27-D30 PolarHBondContact N-OD2 3.02Å; S27-D30 PolarHBondContact O-N 3.32Å; S27-D30 PolarHBondContact OG-N 3.04Å; S27-D30 PolarHBondContact OG-OD2 2.89Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 3.22Å
28E85.1Confident87.3Confident104 Ų10467.5 Ų67.549%0.48635%0.349SS..Hα-helixtrans-55.3-36.4173.2-70.3170.9-157.400112.1I31 R32 K70E28-I31 PolarHBondContact O-N 3.38Å; E28-R32 WeakPolarHBondContact O-CB 3.41Å; E28-R32 PolarHBondContact O-N 3.44Å; E28-K70 WeakPolarHBondContact OE1-CE 3.49Å; E28-K70 IonicContact OE1-NZ 3.5Å; E28-K70 PolarHBondContact OE1-NZ 2.95Å
29A83.7Confident87.1Confident67 Ų6762.1 Ų62.155%0.55432%0.323SS*.Hα-helixtrans-64.4-39.9176.400000111.8S27 K33S27-A29 PolarHBondContact O-N 2.95Å; A29-K33 VanDerWaalsContact O-CB 3.25Å; A29-K33 WeakPolarHBondContact O-CB 3.49Å; A29-K33 PolarHBondContact O-N 2.69Å
30D86.6Confident86.9Confident70 Ų7063.5 Ų63.537%0.37433%0.33SS..Hα-helixtrans-70.4-38.6177.3-65.4-47.3000112.2A26 S27 K33 N34A26-D30 HydrophobicContact CB-CB 4.1Å; S27-D30 PolarHBondContact N-OD2 3.02Å; S27-D30 PolarHBondContact O-N 3.32Å; S27-D30 PolarHBondContact OG-N 3.04Å; S27-D30 PolarHBondContact OG-OD2 2.89Å; D30-K33 PolarHBondContact O-N 3.06Å; D30-N34 WeakPolarHBondContact O-CB 3.27Å; D30-N34 PolarHBondContact O-N 3.28Å; D30-N34 PolarHBondContact O-ND2 3.2Å
31I87.9Confident86.7Confident2 Ų271 Ų711%0.0136%0.363CS..Hα-helixtrans-61.7-48.7174.2-67.2171.7000109.6L20 V22 A26 S27 E28 K33 N34 Y35 Y64 L67L20-I31 HydrophobicContact CD1-CG2 3.83Å; V22-I31 HydrophobicContact CG2-CG1 4.45Å; A26-I31 HydrophobicContact CB-CG1 4.19Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 3.22Å; E28-I31 PolarHBondContact O-N 3.38Å; I31-K33 PolarHBondContact O-N 3Å; I31-N34 PolarHBondContact O-N 2.86Å; I31-Y35 VanDerWaalsContact O-CB 3.22Å; I31-Y35 WeakPolarHBondContact O-CB 3.33Å; I31-Y35 PolarHBondContact O-N 3.04Å; I31-Y64 HydrophobicContact CG2-CD2 3.96Å; I31-Y64 HydrophobicContact CG2-CE2 3.89Å; I31-L67 HydrophobicContact CD1-CB 4.47Å; I31-L67 HydrophobicContact CG2-CB 4.15Å
32R85.4Confident86.5Confident123 Ų12368.8 Ų68.846%0.46434%0.337SS..Hα-helixtrans-60.3-45.1176.7-173.7177.4177.5177.5-0.4112.1E28 Y36 Y64 L102E28-R32 WeakPolarHBondContact O-CB 3.41Å; E28-R32 PolarHBondContact O-N 3.44Å; R32-Y36 WeakPolarHBondContact O-CB 3.39Å; R32-Y36 PolarHBondContact O-N 3.45Å; R32-Y64 HydrophobicContact CB-CE2 4.43Å; R32-L102 HydrophobicContact CG-CD2 4.19Å
33K85.8Confident86.1Confident128 Ų12870.7 Ų70.756%0.55734%0.344SS*.Hα-helixtrans-64-40.6179.9-176.9179.4-178.4179.40112.4A29 D30 I31 Y36 K37A29-K33 VanDerWaalsContact O-CB 3.25Å; A29-K33 WeakPolarHBondContact O-CB 3.49Å; A29-K33 PolarHBondContact O-N 2.69Å; D30-K33 PolarHBondContact O-N 3.06Å; I31-K33 PolarHBondContact O-N 3Å; K33-Y36 WeakPolarHBondContact O-CB 3.44Å; K33-K37 WeakPolarHBondContact O-CG 2.85Å; K33-K37 PolarHBondContact O-N 3.46Å
34N88.6Confident85.6Confident32 Ų3268 Ų6817%0.17133%0.332CS..Hα-helixtrans-81.7-34.3-179.2-72.5-66.8000112.5L20 V22 D30 I31 Y36 K37 V38L20-N34 WeakPolarHBondContact O-CB 2.83Å; V22-N34 HydrophobicContact CG1-CB 3.55Å; V22-N34 WeakPolarHBondContact CG1-ND2 3.44Å; D30-N34 WeakPolarHBondContact O-CB 3.27Å; D30-N34 PolarHBondContact O-N 3.28Å; D30-N34 PolarHBondContact O-ND2 3.2Å; I31-N34 PolarHBondContact O-N 2.86Å; N34-Y36 VanDerWaalsContact C-N 3.26Å; N34-Y36 PolarHBondContact O-N 3.29Å; N34-K37 WeakPolarHBondContact O-CB 3.43Å; N34-K37 PolarHBondContact O-N 3.37Å; N34-K37 VanDerWaalsContact O-N 3.1Å; N34-V38 WeakPolarHBondContact O-CG2 3.43Å; N34-V38 PolarHBondContact O-N 3.02Å
35Y87.9Confident85.1Confident1 Ų169.6 Ų69.60%0.00435%0.346CS..Hα-helixtrans-53.4-46167.1170.8-102.2000111.7L20 I31 K37 V38 S39 L60 Y64 Y98 W99 L102L20-Y35 HydrophobicContact CD2-CD2 4.24Å; I31-Y35 VanDerWaalsContact O-CB 3.22Å; I31-Y35 WeakPolarHBondContact O-CB 3.33Å; I31-Y35 PolarHBondContact O-N 3.04Å; Y35-K37 VanDerWaalsContact C-N 3.34Å; Y35-K37 PolarHBondContact O-N 3.22Å; Y35-V38 PolarHBondContact O-N 2.89Å; Y35-S39 WeakPolarHBondContact O-CB 3.43Å; Y35-S39 PolarHBondContact O-N 3.04Å; Y35-L60 HydrophobicContact CD2-CD1 4.41Å; Y35-L60 HydrophobicContact CD2-CD2 4.18Å; Y35-L60 HydrophobicContact CD2-CG 3.9Å; Y35-L60 HydrophobicContact CE2-CD2 4.04Å; Y35-L60 HydrophobicContact CE2-CG 3.77Å; Y35-Y64 AromaticContact CD1-CD2 3.95Å; Y35-Y64 HydrophobicContact CD1-CD2 3.95Å; Y35-Y64 HydrophobicContact CD1-CE2 4.23Å; Y35-Y64 HydrophobicContact CD1-CG 4.14Å; Y35-Y64 VanDerWaalsContact CD2-CB 3.44Å; Y35-Y64 AromaticContact CD2-CD2 3.81Å; Y35-Y64 HydrophobicContact CD2-CD2 3.81Å; Y35-Y64 AromaticContact CD2-CG 3.75Å; Y35-Y64 HydrophobicContact CD2-CG 3.75Å; Y35-Y64 HydrophobicContact CE1-CG 4.4Å; Y35-Y64 HydrophobicContact CE2-CD2 4.49Å; Y35-Y64 AromaticContact CE2-CG 4Å; Y35-Y64 HydrophobicContact CE2-CG 4Å; Y35-Y64 AromaticContact CG-CD2 3.47Å; Y35-Y64 HydrophobicContact CG-CD2 3.47Å; Y35-Y64 VanDerWaalsContact CG-CD2 3.47Å; Y35-Y64 HydrophobicContact CG-CE2 4.1Å; Y35-Y64 AromaticContact CG-CG 3.8Å; Y35-Y64 HydrophobicContact CG-CG 3.8Å; Y35-Y98 HydrophobicContact CE1-CE1 4.01Å; Y35-W99 HydrophobicContact CD1-CH2 4.35Å; Y35-W99 AromaticContact CE1-CH2 3.41Å; Y35-W99 HydrophobicContact CE1-CH2 3.41Å; Y35-W99 VanDerWaalsContact CE1-CH2 3.41Å; Y35-W99 HydrophobicContact CE1-CZ2 4.05Å; Y35-W99 HydrophobicContact CE1-CZ3 4.02Å; Y35-W99 AromaticContact CZ-CH2 3.76Å; Y35-W99 AromaticContact CZ-CZ2 3.97Å; Y35-W99 VanDerWaalsContact OH-CZ2 3.31Å; Y35-W99 WeakPolarHBondContact OH-CZ2 3.41Å; Y35-L102 HydrophobicContact CD1-CD1 4.26Å; Y35-L102 HydrophobicContact CE1-CD1 3.84Å
36Y83.6Confident84.5Confident98 Ų9869.7 Ų69.738%0.38434%0.339SS..Hα-helixtrans-55.1-48174.7177.4-85.6000112.4R32 K33 N34 V38 S39 L40 F103R32-Y36 WeakPolarHBondContact O-CB 3.39Å; R32-Y36 PolarHBondContact O-N 3.45Å; K33-Y36 WeakPolarHBondContact O-CB 3.44Å; N34-Y36 VanDerWaalsContact C-N 3.26Å; N34-Y36 PolarHBondContact O-N 3.29Å; Y36-V38 PolarHBondContact O-N 3.43Å; Y36-S39 PolarHBondContact O-N 2.98Å; Y36-L40 HydrophobicContact CD1-CD1 3.99Å; Y36-L40 HydrophobicContact CE1-CD1 3.45Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.45Å; Y36-L40 HydrophobicContact CE1-CG 4.39Å; Y36-L40 WeakPolarHBondContact O-CG 3.23Å; Y36-L40 PolarHBondContact O-N 3.2Å; Y36-F103 AromaticContact CD2-CE1 3.83Å; Y36-F103 HydrophobicContact CD2-CE1 3.83Å; Y36-F103 HydrophobicContact CD2-CE2 4.38Å; Y36-F103 AromaticContact CD2-CZ 3.65Å; Y36-F103 HydrophobicContact CD2-CZ 3.65Å; Y36-F103 AromaticContact CE2-CD1 3.55Å; Y36-F103 HydrophobicContact CE2-CD1 3.55Å; Y36-F103 AromaticContact CE2-CE1 2.89Å; Y36-F103 HydrophobicContact CE2-CE1 2.89Å; Y36-F103 HydrophobicContact CE2-CE2 4.17Å; Y36-F103 HydrophobicContact CE2-CG 4.43Å; Y36-F103 AromaticContact CE2-CZ 3.2Å; Y36-F103 HydrophobicContact CE2-CZ 3.2Å; Y36-F103 AromaticContact CZ-CE1 3.3Å; Y36-F103 AromaticContact CZ-CZ 3.83Å; Y36-F103 WeakPolarHBondContact OH-CE1 3.36Å
37K86.8Confident83.9Confident102 Ų10270 Ų7044%0.44334%0.342SS..Hα-helixtrans-63.7-42.6180-69.9175.1-178.3176.10112.5K33 N34 Y35 K41K33-K37 WeakPolarHBondContact O-CG 2.85Å; K33-K37 PolarHBondContact O-N 3.46Å; N34-K37 WeakPolarHBondContact O-CB 3.43Å; N34-K37 PolarHBondContact O-N 3.37Å; N34-K37 VanDerWaalsContact O-N 3.1Å; Y35-K37 VanDerWaalsContact C-N 3.34Å; Y35-K37 PolarHBondContact O-N 3.22Å; K37-K41 WeakPolarHBondContact O-CG 3.28Å
38V87.1Confident83.2Confident23 Ų2372.2 Ų72.214%0.13935%0.354CS..Hα-helixtrans-72.9-39.4-178.4-179.10000110.4N34 Y35 Y36 L40 K41 V42 L60N34-V38 WeakPolarHBondContact O-CG2 3.43Å; N34-V38 PolarHBondContact O-N 3.02Å; Y35-V38 PolarHBondContact O-N 2.89Å; Y36-V38 PolarHBondContact O-N 3.43Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 3.35Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3.14Å; V38-V42 PolarHBondContact O-N 3.19Å; V38-V42 VanDerWaalsContact O-N 3.16Å; V38-L60 HydrophobicContact CB-CD1 4.22Å; V38-L60 HydrophobicContact CB-CD2 4.11Å; V38-L60 HydrophobicContact CG1-CD1 3.69Å; V38-L60 HydrophobicContact CG1-CD2 3.81Å; V38-L60 HydrophobicContact CG1-CG 4.41Å
39S85.6Confident82.9Confident1 Ų174.8 Ų74.81%0.00737%0.371CS..Hα-helixtrans-56.1-46.5175.7171.60000112.1Y35 Y36 K41 V42 H43 F57 W99Y35-S39 WeakPolarHBondContact O-CB 3.43Å; Y35-S39 PolarHBondContact O-N 3.04Å; Y36-S39 PolarHBondContact O-N 2.98Å; S39-K41 PolarHBondContact O-N 3.11Å; S39-K41 VanDerWaalsContact O-N 3.17Å; S39-V42 CarbonylContact O-C 3.6Å; S39-V42 PolarHBondContact O-N 3.12Å; S39-V42 VanDerWaalsContact O-N 3.17Å; S39-H43 WeakPolarHBondContact O-CB 3.33Å; S39-H43 PolarHBondContact O-N 3.47Å; S39-F57 VanDerWaalsContact OG-CE2 3.29Å; S39-F57 WeakPolarHBondContact OG-CE2 3.31Å; S39-W99 VanDerWaalsContact CB-CH2 3.44Å; S39-W99 WeakPolarHBondContact OG-CH2 3.32Å; S39-W99 WeakPolarHBondContact OG-CZ2 3.41Å
40L83.4Confident82.7Confident44 Ų4473.8 Ų73.823%0.2336%0.357CS..Hα-helixtrans-59.5-28.5177.1-72.1178.3000113.7Y36 V38 R46 F103Y36-L40 HydrophobicContact CD1-CD1 3.99Å; Y36-L40 HydrophobicContact CE1-CD1 3.45Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.45Å; Y36-L40 HydrophobicContact CE1-CG 4.39Å; Y36-L40 WeakPolarHBondContact O-CG 3.23Å; Y36-L40 PolarHBondContact O-N 3.2Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 3.35Å; L40-R46 WeakPolarHBondContact O-CD 3.49Å; L40-F103 HydrophobicContact CD2-CE1 4.48Å; L40-F103 HydrophobicContact CD2-CZ 4.02Å
41K84.4Confident82.5Confident160 Ų16076.3 Ų76.370%0.69638%0.377SS*.Hα-helixtrans-79.1-34.9178.4-65.4177-179.8-176.80112.8K37 V38 S39K37-K41 WeakPolarHBondContact O-CG 3.28Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3.14Å; S39-K41 PolarHBondContact O-N 3.11Å; S39-K41 VanDerWaalsContact O-N 3.17Å
42V84.2Confident82.4Confident15 Ų1580.4 Ų80.49%0.09140%0.396CS..Hα-helixtrans-100.66.5-177.4-55.40000112.9F11 V38 S39 K56 F57 L60F11-V42 HydrophobicContact CE1-CG1 4.17Å; F11-V42 HydrophobicContact CZ-CG1 4.46Å; V38-V42 PolarHBondContact O-N 3.19Å; V38-V42 VanDerWaalsContact O-N 3.16Å; S39-V42 CarbonylContact O-C 3.6Å; S39-V42 PolarHBondContact O-N 3.12Å; S39-V42 VanDerWaalsContact O-N 3.17Å; V42-K56 HydrophobicContact CB-CB 4.05Å; V42-K56 HydrophobicContact CG1-CB 4.19Å; V42-K56 HydrophobicContact CG1-CD 4.46Å; V42-F57 HydrophobicContact CG2-CB 4.26Å; V42-F57 HydrophobicContact CG2-CD2 4.12Å; V42-L60 HydrophobicContact CG2-CD2 3.77Å
43H81.9Confident82.1Confident62 Ų6274.6 Ų74.629%0.28738%0.375SS..  trans-67.7130.3-179.8-169.9-83.5000110.4S39 D45 R46 A47 F57S39-H43 WeakPolarHBondContact O-CB 3.33Å; S39-H43 PolarHBondContact O-N 3.47Å; H43-D45 WeakPolarHBondContact CE1-CB 3.35Å; H43-D45 WeakPolarHBondContact ND1-CB 3.39Å; H43-D45 PolarHBondContact ND1-N 3.27Å; H43-D45 VanDerWaalsContact ND1-N 3.11Å; H43-D45 PolarHBondContact O-N 3.32Å; H43-D45 VanDerWaalsContact O-N 3.14Å; H43-R46 HydrophobicContact CB-CB 4.4Å; H43-R46 PolarHBondContact O-N 2.93Å; H43-A47 PolarHBondContact O-N 3.04Å; H43-F57 AromaticContact CD2-CE2 3.82Å
44P78.4Confident81.9Confident53 Ų5372 Ų7234%0.34437%0.369SS..THydrogen-bonded Turntrans-59.6-30.7-174.822.3-33.6000113.7
45D77.6Confident81.7Confident134 Ų13474.8 Ų74.872%0.71738%0.381SS*.THydrogen-bonded Turntrans-71.2-31.8175.3-167.650.9000113.5H43H43-D45 WeakPolarHBondContact CE1-CB 3.35Å; H43-D45 WeakPolarHBondContact ND1-CB 3.39Å; H43-D45 PolarHBondContact ND1-N 3.27Å; H43-D45 VanDerWaalsContact ND1-N 3.11Å; H43-D45 PolarHBondContact O-N 3.32Å; H43-D45 VanDerWaalsContact O-N 3.14Å
46R73.8Confident81.6Confident178 Ų17876.4 Ų76.467%0.67239%0.388SS*.THydrogen-bonded Turntrans-93.8-20.3-178.9-84.9-175.2145114.5-4113.3L40 H43 P48L40-R46 WeakPolarHBondContact O-CD 3.49Å; H43-R46 HydrophobicContact CB-CB 4.4Å; H43-R46 PolarHBondContact O-N 2.93Å; R46-P48 WeakPolarHBondContact O-CD 3.3Å
47A75.3Confident81.6Confident20 Ų2072.8 Ų72.817%0.16538%0.375CS..  trans-121.861177.800000111H43 D49 D50 A53H43-A47 PolarHBondContact O-N 3.04Å; A47-D49 PolarHBondContact O-N 3.3Å; A47-D50 HydrophobicContact CB-CB 4.38Å; A47-D50 PolarHBondContact O-N 2.76Å; A47-A53 HydrophobicContact CB-CB 4.28Å
48P74.3Confident81.4Confident99 Ų9972.6 Ų72.664%0.64338%0.376SS*.THydrogen-bonded Turntrans-64.8-21.8-178.428.6-36.2000113R46R46-P48 WeakPolarHBondContact O-CD 3.3Å
49D78.3Confident81.4Confident158 Ų15872.2 Ų72.285%0.84537%0.373SS*.THydrogen-bonded Turntrans-82.6-11.9-179.5-59.1-40.1000113.5A47 P51A47-D49 PolarHBondContact O-N 3.3Å; D49-P51 WeakPolarHBondContact O-CD 3.17Å
50D79.8Confident81.5Confident47 Ų4772.1 Ų72.125%0.25137%0.373SS..  trans-98105.7178.4-173.6-8.6000110.2A47 Q52 A53 K56A47-D50 HydrophobicContact CB-CB 4.38Å; A47-D50 PolarHBondContact O-N 2.76Å; D50-Q52 PolarHBondContact O-N 2.65Å; D50-Q52 VanDerWaalsContact O-N 3.1Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.4Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.26Å; D50-Q52 PolarHBondContact OD1-N 2.8Å; D50-A53 HydrophobicContact CB-CB 4.16Å; D50-A53 VanDerWaalsContact O-CB 3.24Å; D50-A53 WeakPolarHBondContact O-CB 3.37Å; D50-A53 PolarHBondContact O-N 3.1Å; D50-K56 IonicContact OD1-NZ 3.06Å; D50-K56 IonicContact OD2-NZ 3.67Å; D50-K56 PolarHBondContact OD2-NZ 3.44Å
51P82.7Confident81.4Confident123 Ų12370.1 Ų70.180%0.79936%0.362SS*.THydrogen-bonded Turntrans-65.3-16.2-179.928.3-35.1000112.7D49D49-P51 WeakPolarHBondContact O-CD 3.17Å
52Q84.6Confident81.5Confident87 Ų8766.3 Ų66.341%0.40735%0.346SS..THydrogen-bonded Turntrans-97.42.9176.9-61.1-177-41.700112.8L10 D50 T54 E55 K56L10-Q52 HydrophobicContact CD2-CB 4.29Å; D50-Q52 PolarHBondContact O-N 2.65Å; D50-Q52 VanDerWaalsContact O-N 3.1Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.4Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.26Å; D50-Q52 PolarHBondContact OD1-N 2.8Å; Q52-T54 VanDerWaalsContact C-N 3.28Å; Q52-T54 PolarHBondContact O-N 2.71Å; Q52-E55 PolarHBondContact O-N 2.89Å; Q52-E55 VanDerWaalsContact O-N 3.13Å; Q52-K56 HydrophobicContact CB-CD 4.45Å; Q52-K56 WeakPolarHBondContact O-CB 3.23Å; Q52-K56 WeakPolarHBondContact O-CG 3.45Å; Q52-K56 PolarHBondContact O-N 2.94Å
53A80.6Confident81.7Confident2 Ų265.6 Ų65.62%0.01734%0.341CS..Hα-helixtrans-54.1-45.2179.900000111.9A47 D50 E55 K56 F57A47-A53 HydrophobicContact CB-CB 4.28Å; D50-A53 HydrophobicContact CB-CB 4.16Å; D50-A53 VanDerWaalsContact O-CB 3.24Å; D50-A53 WeakPolarHBondContact O-CB 3.37Å; D50-A53 PolarHBondContact O-N 3.1Å; A53-E55 PolarHBondContact O-N 2.99Å; A53-K56 PolarHBondContact O-N 3.41Å; A53-F57 WeakPolarHBondContact O-CB 3.49Å; A53-F57 PolarHBondContact O-N 3.26Å
54T81.1Confident81.9Confident72 Ų7263.7 Ų63.744%0.44233%0.332SS..Hα-helixtrans-60.6-44.5177.8-52.50000112.3Q52 F57 Q58Q52-T54 VanDerWaalsContact C-N 3.28Å; Q52-T54 PolarHBondContact O-N 2.71Å; T54-F57 PolarHBondContact O-N 3.21Å; T54-Q58 VanDerWaalsContact O-CG 3.3Å; T54-Q58 WeakPolarHBondContact O-CG 3.38Å; T54-Q58 PolarHBondContact O-N 3.49Å
55E84.6Confident82.1Confident91 Ų9161.3 Ų61.343%0.42532%0.316SS..Hα-helixtrans-70.2-44179-67.6-170.5165.600111.7L10 Q52 A53 F57 Q58 V59L10-E55 HydrophobicContact CD1-CB 4.13Å; Q52-E55 PolarHBondContact O-N 2.89Å; Q52-E55 VanDerWaalsContact O-N 3.13Å; A53-E55 PolarHBondContact O-N 2.99Å; E55-F57 PolarHBondContact O-N 2.74Å; E55-Q58 PolarHBondContact O-N 3.16Å; E55-V59 WeakPolarHBondContact O-CB 3.37Å; E55-V59 WeakPolarHBondContact O-CG2 3.49Å; E55-V59 PolarHBondContact O-N 2.91Å
56K85.9Confident82.6Confident35 Ų3555 Ų5515%0.15228%0.282CS..Hα-helixtrans-55.2-43.7173.5-79.3171.7-175.4171.40111.1L10 F11 V42 D50 Q52 A53 V59 L60L10-K56 HydrophobicContact CB-CG 3.91Å; L10-K56 HydrophobicContact CD1-CG 4.26Å; L10-K56 HydrophobicContact CD2-CG 4.22Å; L10-K56 HydrophobicContact CG-CG 4.37Å; L10-K56 WeakPolarHBondContact O-CE 3.19Å; F11-K56 HydrophobicContact CE2-CB 4.29Å; F11-K56 HydrophobicContact CE2-CG 4.3Å; F11-K56 HydrophobicContact CZ-CB 3.81Å; F11-K56 HydrophobicContact CZ-CG 4.04Å; V42-K56 HydrophobicContact CB-CB 4.05Å; V42-K56 HydrophobicContact CG1-CB 4.19Å; V42-K56 HydrophobicContact CG1-CD 4.46Å; D50-K56 IonicContact OD1-NZ 3.06Å; D50-K56 IonicContact OD2-NZ 3.67Å; D50-K56 PolarHBondContact OD2-NZ 3.44Å; Q52-K56 HydrophobicContact CB-CD 4.45Å; Q52-K56 WeakPolarHBondContact O-CB 3.23Å; Q52-K56 WeakPolarHBondContact O-CG 3.45Å; Q52-K56 PolarHBondContact O-N 2.94Å; A53-K56 PolarHBondContact O-N 3.41Å; K56-V59 PolarHBondContact O-N 2.95Å; K56-L60 VanDerWaalsContact O-CB 3.24Å; K56-L60 WeakPolarHBondContact O-CB 3.39Å; K56-L60 PolarHBondContact O-N 3.12Å
57F83.4Confident83.2Confident23 Ų2346.5 Ų46.510%0.10125%0.251CS..Hα-helixtrans-65.9-46178.7-172.7-94.6000112.4S39 V42 H43 A53 T54 E55 V59 L60 G61 W95 W99S39-F57 VanDerWaalsContact OG-CE2 3.29Å; S39-F57 WeakPolarHBondContact OG-CE2 3.31Å; V42-F57 HydrophobicContact CG2-CB 4.26Å; V42-F57 HydrophobicContact CG2-CD2 4.12Å; H43-F57 AromaticContact CD2-CE2 3.82Å; A53-F57 WeakPolarHBondContact O-CB 3.49Å; A53-F57 PolarHBondContact O-N 3.26Å; T54-F57 PolarHBondContact O-N 3.21Å; E55-F57 PolarHBondContact O-N 2.74Å; F57-V59 VanDerWaalsContact C-N 3.32Å; F57-V59 PolarHBondContact O-N 2.88Å; F57-L60 PolarHBondContact O-N 2.95Å; F57-G61 PolarHBondContact O-N 2.87Å; F57-W95 HydrophobicContact CE1-CD2 4.49Å; F57-W95 HydrophobicContact CE1-CE3 4.23Å; F57-W99 AromaticContact CE1-NE1 3.99Å; F57-W99 AromaticContact CE2-CZ2 3.75Å; F57-W99 HydrophobicContact CE2-CZ2 3.75Å; F57-W99 AromaticContact CZ-CE2 3.66Å; F57-W99 AromaticContact CZ-CZ2 3.51Å; F57-W99 HydrophobicContact CZ-CZ2 3.51Å; F57-W99 AromaticContact CZ-NE1 3.36Å
58Q82.9Confident83.6Confident98 Ų9847.6 Ų47.646%0.45826%0.257SS..Hα-helixtrans-60-43.1176.2-73.7175.8900111.9T54 E55 G61 K62T54-Q58 VanDerWaalsContact O-CG 3.3Å; T54-Q58 WeakPolarHBondContact O-CG 3.38Å; T54-Q58 PolarHBondContact O-N 3.49Å; E55-Q58 PolarHBondContact O-N 3.16Å; Q58-G61 PolarHBondContact O-N 3.39Å; Q58-K62 WeakPolarHBondContact O-CG 3.37Å; Q58-K62 PolarHBondContact O-N 3.42Å; Q58-K62 VanDerWaalsContact O-N 3.13Å
59V86.8Confident84.1Confident14 Ų1445.4 Ų45.49%0.08524%0.24CC..Hα-helixtrans-67.5-42.3178.2169.90000111.4L3 R6 C7 L10 F11 E55 K56 F57 G61 K62 L63L3-V59 HydrophobicContact CD1-CG1 4.1Å; R6-V59 HydrophobicContact CB-CG1 4.34Å; R6-V59 HydrophobicContact CB-CG2 3.82Å; C7-V59 VanDerWaalsContact SG-CG1 3.54Å; L10-V59 HydrophobicContact CD1-CB 4.16Å; L10-V59 HydrophobicContact CD1-CG2 3.75Å; F11-V59 HydrophobicContact CE2-CB 4.47Å; F11-V59 HydrophobicContact CE2-CG1 4.14Å; E55-V59 WeakPolarHBondContact O-CB 3.37Å; E55-V59 WeakPolarHBondContact O-CG2 3.49Å; E55-V59 PolarHBondContact O-N 2.91Å; K56-V59 PolarHBondContact O-N 2.95Å; F57-V59 VanDerWaalsContact C-N 3.32Å; F57-V59 PolarHBondContact O-N 2.88Å; V59-G61 VanDerWaalsContact C-N 3.27Å; V59-G61 PolarHBondContact O-N 3.35Å; V59-K62 PolarHBondContact O-N 3.35Å; V59-L63 WeakPolarHBondContact O-CB 3.23Å; V59-L63 PolarHBondContact O-N 3.28Å
60L86.6Confident84.4Confident0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-59.1-40.6176-17571000111.7F11 V19 L20 Y35 V38 V42 K56 F57 L63 Y64F11-L60 HydrophobicContact CZ-CB 4.42Å; V19-L60 HydrophobicContact CG1-CD1 4.04Å; L20-L60 HydrophobicContact CD2-CD1 3.8Å; Y35-L60 HydrophobicContact CD2-CD1 4.41Å; Y35-L60 HydrophobicContact CD2-CD2 4.18Å; Y35-L60 HydrophobicContact CD2-CG 3.9Å; Y35-L60 HydrophobicContact CE2-CD2 4.04Å; Y35-L60 HydrophobicContact CE2-CG 3.77Å; V38-L60 HydrophobicContact CB-CD1 4.22Å; V38-L60 HydrophobicContact CB-CD2 4.11Å; V38-L60 HydrophobicContact CG1-CD1 3.69Å; V38-L60 HydrophobicContact CG1-CD2 3.81Å; V38-L60 HydrophobicContact CG1-CG 4.41Å; V42-L60 HydrophobicContact CG2-CD2 3.77Å; K56-L60 VanDerWaalsContact O-CB 3.24Å; K56-L60 WeakPolarHBondContact O-CB 3.39Å; K56-L60 PolarHBondContact O-N 3.12Å; F57-L60 PolarHBondContact O-N 2.95Å; L60-L63 WeakPolarHBondContact O-CB 3.39Å; L60-L63 PolarHBondContact O-N 3.45Å; L60-Y64 PolarHBondContact O-N 2.65Å
61G83.1Confident84.6Confident1 Ų150 Ų501%0.0125%0.253CS..Hα-helixtrans-68.9-38.9178.600000113.8F57 Q58 V59 Y64 A65 W95F57-G61 PolarHBondContact O-N 2.87Å; Q58-G61 PolarHBondContact O-N 3.39Å; V59-G61 VanDerWaalsContact C-N 3.27Å; V59-G61 PolarHBondContact O-N 3.35Å; G61-Y64 PolarHBondContact O-N 2.69Å; G61-A65 PolarHBondContact O-N 3.48Å; G61-W95 VanDerWaalsContact CA-CH2 3.43Å
62K84.6Confident84.6Confident80 Ų8045.5 Ų45.535%0.34822%0.221SC..Hα-helixtrans-63.4-45.5171.9-73.9-176.6178.3-170.20111.7L3 Q58 V59 Y64 A65 V66 L89L3-K62 HydrophobicContact CD1-CB 3.55Å; L3-K62 HydrophobicContact CD1-CD 4.1Å; L3-K62 HydrophobicContact CD1-CG 4.48Å; L3-K62 HydrophobicContact CD2-CB 4.22Å; Q58-K62 WeakPolarHBondContact O-CG 3.37Å; Q58-K62 PolarHBondContact O-N 3.42Å; Q58-K62 VanDerWaalsContact O-N 3.13Å; V59-K62 PolarHBondContact O-N 3.35Å; K62-Y64 VanDerWaalsContact C-N 3.33Å; K62-Y64 PolarHBondContact O-N 2.64Å; K62-A65 VanDerWaalsContact O-CB 3.28Å; K62-A65 WeakPolarHBondContact O-CB 3.36Å; K62-A65 PolarHBondContact O-N 3.46Å; K62-A65 VanDerWaalsContact O-N 3.13Å; K62-V66 PolarHBondContact O-N 3.16Å; K62-L89 HydrophobicContact CB-CD2 3.76Å; K62-L89 HydrophobicContact CG-CD2 4.05Å; K62-L89 WeakPolarHBondContact O-CD2 3.44Å
63L88.6Confident84.7Confident0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-56.2-47.6175.3176.5158.4000111.9L16 V19 L20 V59 L60 A65 V66 L67L16-L63 HydrophobicContact CB-CD1 3.87Å; L16-L63 HydrophobicContact CB-CD2 4.28Å; L16-L63 HydrophobicContact CB-CG 3.77Å; L16-L63 HydrophobicContact CD1-CG 4.37Å; L16-L63 HydrophobicContact CD2-CB 4.21Å; L16-L63 HydrophobicContact CD2-CD1 3.53Å; L16-L63 HydrophobicContact CD2-CG 3.63Å; L16-L63 HydrophobicContact CG-CD1 4.23Å; L16-L63 HydrophobicContact CG-CG 4.08Å; V19-L63 HydrophobicContact CB-CD1 3.54Å; V19-L63 HydrophobicContact CG1-CD1 3.72Å; V19-L63 HydrophobicContact CG2-CD1 3.79Å; L20-L63 HydrophobicContact CD1-CD2 3.67Å; L20-L63 HydrophobicContact CD2-CD2 4.04Å; L20-L63 HydrophobicContact CG-CD2 3.57Å; V59-L63 WeakPolarHBondContact O-CB 3.23Å; V59-L63 PolarHBondContact O-N 3.28Å; L60-L63 WeakPolarHBondContact O-CB 3.39Å; L60-L63 PolarHBondContact O-N 3.45Å; L63-A65 VanDerWaalsContact C-N 3.29Å; L63-A65 PolarHBondContact O-N 3.27Å; L63-V66 PolarHBondContact O-N 3.2Å; L63-L67 HydrophobicContact CD2-CD1 3.7Å; L63-L67 HydrophobicContact CD2-CG 4.32Å; L63-L67 PolarHBondContact O-N 3.45Å; L63-L67 VanDerWaalsContact O-N 3.07Å
64Y86.6Confident84.9Confident23 Ų2345.1 Ų45.19%0.0923%0.225CC..Hα-helixtrans-62.9-38.5178176.6-90.8000111.6I31 R32 Y35 L60 G61 K62 V66 L67 S68 Y98I31-Y64 HydrophobicContact CG2-CD2 3.96Å; I31-Y64 HydrophobicContact CG2-CE2 3.89Å; R32-Y64 HydrophobicContact CB-CE2 4.43Å; Y35-Y64 AromaticContact CD1-CD2 3.95Å; Y35-Y64 HydrophobicContact CD1-CD2 3.95Å; Y35-Y64 HydrophobicContact CD1-CE2 4.23Å; Y35-Y64 HydrophobicContact CD1-CG 4.14Å; Y35-Y64 VanDerWaalsContact CD2-CB 3.44Å; Y35-Y64 AromaticContact CD2-CD2 3.81Å; Y35-Y64 HydrophobicContact CD2-CD2 3.81Å; Y35-Y64 AromaticContact CD2-CG 3.75Å; Y35-Y64 HydrophobicContact CD2-CG 3.75Å; Y35-Y64 HydrophobicContact CE1-CG 4.4Å; Y35-Y64 HydrophobicContact CE2-CD2 4.49Å; Y35-Y64 AromaticContact CE2-CG 4Å; Y35-Y64 HydrophobicContact CE2-CG 4Å; Y35-Y64 AromaticContact CG-CD2 3.47Å; Y35-Y64 HydrophobicContact CG-CD2 3.47Å; Y35-Y64 VanDerWaalsContact CG-CD2 3.47Å; Y35-Y64 HydrophobicContact CG-CE2 4.1Å; Y35-Y64 AromaticContact CG-CG 3.8Å; Y35-Y64 HydrophobicContact CG-CG 3.8Å; L60-Y64 PolarHBondContact O-N 2.65Å; G61-Y64 PolarHBondContact O-N 2.69Å; K62-Y64 VanDerWaalsContact C-N 3.33Å; K62-Y64 PolarHBondContact O-N 2.64Å; Y64-V66 VanDerWaalsContact C-N 3.28Å; Y64-V66 PolarHBondContact O-N 2.69Å; Y64-L67 PolarHBondContact O-N 3.08Å; Y64-S68 VanDerWaalsContact CE1-CB 3.47Å; Y64-S68 WeakPolarHBondContact O-CB 3.4Å; Y64-S68 PolarHBondContact O-N 3.03Å; Y64-S68 PolarHBondContact O-OG 2.83Å; Y64-Y98 WeakPolarHBondContact CD1-OH 3.35Å; Y64-Y98 HydrophobicContact CE1-CE2 4.47Å; Y64-Y98 AromaticContact CE1-CZ 3.84Å; Y64-Y98 WeakPolarHBondContact CE1-OH 3.25Å
65A83.6Confident85.1Confident2 Ų244 Ų442%0.01722%0.218CC..Hα-helixtrans-54.8-46176.600000111.5G61 K62 L63 S68 D69 V88 L89G61-A65 PolarHBondContact O-N 3.48Å; K62-A65 VanDerWaalsContact O-CB 3.28Å; K62-A65 WeakPolarHBondContact O-CB 3.36Å; K62-A65 PolarHBondContact O-N 3.46Å; K62-A65 VanDerWaalsContact O-N 3.13Å; L63-A65 VanDerWaalsContact C-N 3.29Å; L63-A65 PolarHBondContact O-N 3.27Å; A65-S68 PolarHBondContact O-OG 3.44Å; A65-S68 VanDerWaalsContact O-OG 3.06Å; A65-D69 PolarHBondContact O-N 2.72Å; A65-V88 HydrophobicContact CB-CG1 3.89Å; A65-L89 HydrophobicContact CB-CD2 4.05Å
66V86.7Confident85.2Confident1 Ų140.8 Ų40.81%0.00620%0.202CC..Hα-helixtrans-62.7-48.6176.1-1800000111.7L3 L16 K62 L63 Y64 S68 Q72 R73 V82 L89L3-V66 HydrophobicContact CD2-CG2 4.08Å; L16-V66 HydrophobicContact CD1-CB 4.2Å; L16-V66 HydrophobicContact CD1-CG1 3.92Å; K62-V66 PolarHBondContact O-N 3.16Å; L63-V66 PolarHBondContact O-N 3.2Å; Y64-V66 VanDerWaalsContact C-N 3.28Å; Y64-V66 PolarHBondContact O-N 2.69Å; V66-S68 VanDerWaalsContact C-N 3.35Å; V66-S68 PolarHBondContact O-N 2.91Å; V66-Q72 HydrophobicContact CG1-CB 4.23Å; V66-R73 PolarHBondContact O-N 3.16Å; V66-V82 HydrophobicContact CG1-CG1 4.41Å; V66-V82 HydrophobicContact CG1-CG2 4.32Å; V66-V82 HydrophobicContact CG2-CG1 3.56Å; V66-L89 HydrophobicContact CG2-CD1 4.21Å; V66-L89 HydrophobicContact CG2-CD2 4.08Å; V66-L89 HydrophobicContact CG2-CG 4.47Å
67L87.1Confident85.3Confident1 Ų141.3 Ų41.31%0.00521%0.206CC..Hα-helixtrans-76.5-20.8-176-67.4-174.5000114.1L16 Y17 L20 I31 L63 Y64 R73 Y76L16-L67 HydrophobicContact CB-CD1 3.88Å; L16-L67 HydrophobicContact CB-CD2 4.17Å; L16-L67 HydrophobicContact CB-CG 4.13Å; L16-L67 HydrophobicContact CD1-CD2 4.25Å; L16-L67 HydrophobicContact CD1-CG 4.34Å; Y17-L67 HydrophobicContact CD1-CD1 4.06Å; Y17-L67 HydrophobicContact CD1-CD2 4.3Å; Y17-L67 HydrophobicContact CE1-CD1 4.19Å; Y17-L67 HydrophobicContact CE1-CD2 3.72Å; Y17-L67 HydrophobicContact CE2-CD2 4.17Å; L20-L67 HydrophobicContact CD1-CD1 3.63Å; I31-L67 HydrophobicContact CD1-CB 4.47Å; I31-L67 HydrophobicContact CG2-CB 4.15Å; L63-L67 HydrophobicContact CD2-CD1 3.7Å; L63-L67 HydrophobicContact CD2-CG 4.32Å; L63-L67 PolarHBondContact O-N 3.45Å; L63-L67 VanDerWaalsContact O-N 3.07Å; Y64-L67 PolarHBondContact O-N 3.08Å; L67-R73 HydrophobicContact CD2-CG 4.39Å; L67-Y76 HydrophobicContact CD2-CD1 4.12Å; L67-Y76 HydrophobicContact CD2-CE1 4.45Å
68S84.1Confident85.3Confident43 Ų4347.9 Ų47.930%0.30124%0.237SC..Hα-helixtrans-82.8-25.2178.870.50000113Y64 A65 V66Y64-S68 VanDerWaalsContact CE1-CB 3.47Å; Y64-S68 WeakPolarHBondContact O-CB 3.4Å; Y64-S68 PolarHBondContact O-N 3.03Å; Y64-S68 PolarHBondContact O-OG 2.83Å; A65-S68 PolarHBondContact O-OG 3.44Å; A65-S68 VanDerWaalsContact O-OG 3.06Å; V66-S68 VanDerWaalsContact C-N 3.35Å; V66-S68 PolarHBondContact O-N 2.91Å
69D84.3Confident85.2Confident53 Ų5349.1 Ų49.128%0.28324%0.243SC..SBendtrans-90.2127.6177-176.9-73.7000109.9A65 E71 Q72 R73A65-D69 PolarHBondContact O-N 2.72Å; D69-E71 VanDerWaalsContact C-N 3.32Å; D69-E71 PolarHBondContact O-N 3.13Å; D69-E71 WeakPolarHBondContact OD1-CA 2.98Å; D69-E71 WeakPolarHBondContact OD1-CB 3.35Å; D69-E71 PolarHBondContact OD1-N 2.87Å; D69-Q72 HydrophobicContact CB-CB 4.04Å; D69-Q72 HydrophobicContact CB-CG 4.17Å; D69-Q72 PolarHBondContact OD1-N 3.18Å; D69-R73 WeakPolarHBondContact O-CB 3.36Å; D69-R73 PolarHBondContact O-N 3.18Å
70K85.1Confident84.9Confident149 Ų14950.4 Ų50.465%0.64826%0.259SS*.Hα-helixtrans-65.8-35.5-174.5-70.8-178.5178177.10112.8E28 A74E28-K70 WeakPolarHBondContact OE1-CE 3.49Å; E28-K70 IonicContact OE1-NZ 3.5Å; E28-K70 PolarHBondContact OE1-NZ 2.95Å; K70-A74 WeakPolarHBondContact O-CB 3.4Å; K70-A74 PolarHBondContact O-N 2.91Å; K70-A74 VanDerWaalsContact O-N 3.08Å
71E83.3Confident84.5Confident153 Ų15355.4 Ų55.472%0.71529%0.285SS*.Hα-helixtrans-75-46.9-177.3-59.5-175.6171.900109.6D69 R73 A74 V75D69-E71 VanDerWaalsContact C-N 3.32Å; D69-E71 PolarHBondContact O-N 3.13Å; D69-E71 WeakPolarHBondContact OD1-CA 2.98Å; D69-E71 WeakPolarHBondContact OD1-CB 3.35Å; D69-E71 PolarHBondContact OD1-N 2.87Å; E71-R73 PolarHBondContact O-N 2.93Å; E71-A74 PolarHBondContact O-N 3.38Å; E71-V75 VanDerWaalsContact O-CG2 3.28Å; E71-V75 WeakPolarHBondContact O-CG2 3.14Å; E71-V75 PolarHBondContact O-N 3.42Å
72Q82.6Confident84.3Confident27 Ų2756.3 Ų56.313%0.12629%0.29CS..Hα-helixtrans-65-38.5176.4-66.9-69.4-30.200112.3V66 D69 V75 Y76 S86 V88V66-Q72 HydrophobicContact CG1-CB 4.23Å; D69-Q72 HydrophobicContact CB-CB 4.04Å; D69-Q72 HydrophobicContact CB-CG 4.17Å; D69-Q72 PolarHBondContact OD1-N 3.18Å; Q72-V75 PolarHBondContact O-N 2.98Å; Q72-Y76 WeakPolarHBondContact O-CB 3.48Å; Q72-Y76 PolarHBondContact O-N 2.99Å; Q72-S86 PolarHBondContact NE2-OG 3.41Å; Q72-V88 HydrophobicContact CG-CG2 4.48Å
73R87.4Confident83.8Confident37 Ų3756.2 Ų56.214%0.1429%0.294CS..Hα-helixtrans-63.4-42.9174.4-176.3179.3178178.90.6111.7Y17 K24 A26 V66 L67 D69 E71 Y76 D77Y17-R73 WeakPolarHBondContact OH-CG 3.47Å; Y17-R73 PolarHBondContact OH-NE 3.44Å; K24-R73 PolarHBondContact O-NH2 3.49Å; A26-R73 PolarHBondContact O-NH1 3.44Å; A26-R73 VanDerWaalsContact O-NH1 3.14Å; A26-R73 PolarHBondContact O-NH2 3.24Å; V66-R73 PolarHBondContact O-N 3.16Å; L67-R73 HydrophobicContact CD2-CG 4.39Å; D69-R73 WeakPolarHBondContact O-CB 3.36Å; D69-R73 PolarHBondContact O-N 3.18Å; E71-R73 PolarHBondContact O-N 2.93Å; R73-Y76 PolarHBondContact O-N 2.99Å; R73-D77 IonicContact NE-OD2 3.94Å; R73-D77 VanDerWaalsContact O-CB 3.29Å; R73-D77 WeakPolarHBondContact O-CB 3.41Å; R73-D77 PolarHBondContact O-N 3.06Å
74A85.6Confident82.8Confident44 Ų4460.9 Ų60.936%0.36432%0.315SS..Hα-helixtrans-62.8-44.8177.300000111.5K70 E71 Y76 D77 E78K70-A74 WeakPolarHBondContact O-CB 3.4Å; K70-A74 PolarHBondContact O-N 2.91Å; K70-A74 VanDerWaalsContact O-N 3.08Å; E71-A74 PolarHBondContact O-N 3.38Å; A74-Y76 VanDerWaalsContact C-N 3.34Å; A74-Y76 PolarHBondContact O-N 3.38Å; A74-D77 PolarHBondContact O-N 3.24Å; A74-E78 WeakPolarHBondContact O-CB 3.2Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 2.98Å
75V84.8Confident81.8Confident50 Ų5068.7 Ų68.730%0.30335%0.353SS..Hα-helixtrans-59.5-45.7175.7173.90000110.9E71 Q72 D77 E78 Q79E71-V75 VanDerWaalsContact O-CG2 3.28Å; E71-V75 WeakPolarHBondContact O-CG2 3.14Å; E71-V75 PolarHBondContact O-N 3.42Å; Q72-V75 PolarHBondContact O-N 2.98Å; V75-D77 VanDerWaalsContact C-N 3.35Å; V75-D77 PolarHBondContact O-N 3.5Å; V75-E78 PolarHBondContact O-N 2.87Å; V75-Q79 WeakPolarHBondContact O-CB 3.38Å; V75-Q79 PolarHBondContact O-N 3.5Å
76Y86.8Confident80.9Confident22 Ų2269.3 Ų69.39%0.08636%0.357CS..Hα-helixtrans-62-41.9175.5179.1-107.4000112.2L4 L16 Y17 L67 Q72 R73 A74 E78 G80 V82L4-Y76 HydrophobicContact CD2-CE2 3.91Å; L16-Y76 HydrophobicContact CB-CE1 3.94Å; L16-Y76 HydrophobicContact CD1-CD1 4.14Å; L16-Y76 HydrophobicContact CD1-CD2 3.93Å; L16-Y76 HydrophobicContact CD1-CE1 3.97Å; L16-Y76 HydrophobicContact CD1-CE2 3.78Å; L16-Y76 HydrophobicContact CD1-CG 4.11Å; L16-Y76 HydrophobicContact CG-CD2 4.47Å; L16-Y76 HydrophobicContact CG-CE1 3.95Å; L16-Y76 HydrophobicContact CG-CE2 3.82Å; L16-Y76 PolarHBondContact N-OH 2.91Å; Y17-Y76 AromaticContact CD2-CE1 4Å; Y17-Y76 HydrophobicContact CD2-CE1 4Å; Y17-Y76 AromaticContact CE2-CD1 3.96Å; Y17-Y76 HydrophobicContact CE2-CD1 3.96Å; Y17-Y76 AromaticContact CE2-CE1 3.68Å; Y17-Y76 HydrophobicContact CE2-CE1 3.68Å; L67-Y76 HydrophobicContact CD2-CD1 4.12Å; L67-Y76 HydrophobicContact CD2-CE1 4.45Å; Q72-Y76 WeakPolarHBondContact O-CB 3.48Å; Q72-Y76 PolarHBondContact O-N 2.99Å; R73-Y76 PolarHBondContact O-N 2.99Å; A74-Y76 VanDerWaalsContact C-N 3.34Å; A74-Y76 PolarHBondContact O-N 3.38Å; Y76-E78 VanDerWaalsContact C-N 3.33Å; Y76-E78 PolarHBondContact O-N 3.17Å; Y76-G80 WeakPolarHBondContact O-CA 3.3Å; Y76-G80 PolarHBondContact O-N 2.66Å; Y76-V82 HydrophobicContact CD2-CG2 3.77Å; Y76-V82 HydrophobicContact CE2-CG2 4.18Å
77D87.4Confident79.7Confident46 Ų4675.9 Ų75.925%0.24639%0.392CS..Hα-helixtrans-69-29.6-178.7-77.1-16.5000113.5Y17 K24 R73 A74 V75Y17-D77 VanDerWaalsContact CE2-OD1 3.25Å; Y17-D77 WeakPolarHBondContact CE2-OD1 3.36Å; Y17-D77 VanDerWaalsContact OH-CG 3.22Å; Y17-D77 PolarHBondContact OH-OD1 2.67Å; Y17-D77 PolarHBondContact OH-OD2 3.04Å; Y17-D77 VanDerWaalsContact OH-OD2 3.12Å; K24-D77 WeakPolarHBondContact CE-OD1 3.46Å; K24-D77 PolarHBondContact NZ-O 3.38Å; R73-D77 IonicContact NE-OD2 3.94Å; R73-D77 VanDerWaalsContact O-CB 3.29Å; R73-D77 WeakPolarHBondContact O-CB 3.41Å; R73-D77 PolarHBondContact O-N 3.06Å; A74-D77 PolarHBondContact O-N 3.24Å; V75-D77 VanDerWaalsContact C-N 3.35Å; V75-D77 PolarHBondContact O-N 3.5Å
78E83.9Confident78.5Confident161 Ų16178 Ų7875%0.75241%0.405SS*.Hα-helixtrans-88.8-44.3179.5-72.5-177.2175.900113.1A74 V75 Y76A74-E78 WeakPolarHBondContact O-CB 3.2Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 2.98Å; V75-E78 PolarHBondContact O-N 2.87Å; Y76-E78 VanDerWaalsContact C-N 3.33Å; Y76-E78 PolarHBondContact O-N 3.17Å
79Q81.3Confident77.3Confident125 Ų12576.9 Ų76.958%0.58440%0.396SS*.Hα-helixtrans-103.9-18.7-171.3-58-175.1600113.3V75 L81V75-Q79 WeakPolarHBondContact O-CB 3.38Å; V75-Q79 PolarHBondContact O-N 3.5Å; Q79-L81 HydrophobicContact CB-CB 4.37Å; Q79-L81 PolarHBondContact O-N 3.39Å
80G79.2Confident76.3Confident40 Ų4077 Ų7741%0.41240%0.4SS..SBendtrans6713.3-172.600000113.8L4 Y76L4-G80 WeakPolarHBondContact CD1-O 3.27Å; Y76-G80 WeakPolarHBondContact O-CA 3.3Å; Y76-G80 PolarHBondContact O-N 2.66Å
81L78.2Confident74.8Confident105 Ų10578 Ų7855%0.5541%0.407SS..  trans-113.5153-179.2-63.2176.8000110Q79Q79-L81 HydrophobicContact CB-CB 4.37Å; Q79-L81 PolarHBondContact O-N 3.39Å
82V78.6Confident73.4Confident20 Ų2078 Ų7812%0.12141%0.413CS..  trans-113.9128.8174.2177.90000107.6L3 L4 L16 V66 Y76 E84 L89L3-V82 HydrophobicContact CD2-CG1 3.91Å; L3-V82 HydrophobicContact CD2-CG2 4.35Å; L4-V82 HydrophobicContact CD2-CG2 4.02Å; L4-V82 HydrophobicContact CG-CG2 4.21Å; L16-V82 HydrophobicContact CD1-CG2 4.01Å; V66-V82 HydrophobicContact CG1-CG1 4.41Å; V66-V82 HydrophobicContact CG1-CG2 4.32Å; V66-V82 HydrophobicContact CG2-CG1 3.56Å; Y76-V82 HydrophobicContact CD2-CG2 3.77Å; Y76-V82 HydrophobicContact CE2-CG2 4.18Å; V82-E84 PolarHBondContact O-N 2.98Å; V82-L89 HydrophobicContact CG1-CD1 3.82Å
83D74.7Confident72.3Confident79 Ų7981.3 Ų81.342%0.42242%0.424SS..  trans-76.998.5171.9-178.98.2000109.8E85 S86 L89D83-E85 VanDerWaalsContact C-N 3.27Å; D83-E85 PolarHBondContact O-N 3.43Å; D83-E85 PolarHBondContact OD1-N 3.44Å; D83-S86 VanDerWaalsContact O-CB 3.24Å; D83-S86 WeakPolarHBondContact O-CB 3.43Å; D83-S86 PolarHBondContact O-N 2.86Å; D83-S86 PolarHBondContact OD1-N 3.14Å; D83-L89 WeakPolarHBondContact O-CD1 3.18Å
84E68.4Low71Confident97 Ų9782.4 Ų82.445%0.45344%0.437SS..THydrogen-bonded Turntrans-74.4-15.8-177.5-69.3-179.7-161.700114G2 L3 V82 S86G2-E84 WeakPolarHBondContact CA-OE1 3.38Å; G2-E84 WeakPolarHBondContact CA-OE2 3.2Å; L3-E84 PolarHBondContact N-OE1 3.05Å; V82-E84 PolarHBondContact O-N 2.98Å; E84-S86 VanDerWaalsContact C-N 3.34Å
85E64.2Low69.9Low187 Ų18784 Ų8487%0.87443%0.434SS*.THydrogen-bonded Turntrans-90.2-4.6176.5-65.7-174.7173.700112.1D83 D87D83-E85 VanDerWaalsContact C-N 3.27Å; D83-E85 PolarHBondContact O-N 3.43Å; D83-E85 PolarHBondContact OD1-N 3.44Å; E85-D87 PolarHBondContact O-N 2.77Å
86S65.4Low68.8Low16 Ų1687.1 Ų87.111%0.11245%0.445CS..SBendtrans-58.5134.4175.5-179.10000111.4Q72 D83 E84 V88 L89Q72-S86 PolarHBondContact NE2-OG 3.41Å; D83-S86 VanDerWaalsContact O-CB 3.24Å; D83-S86 WeakPolarHBondContact O-CB 3.43Å; D83-S86 PolarHBondContact O-N 2.86Å; D83-S86 PolarHBondContact OD1-N 3.14Å; E84-S86 VanDerWaalsContact C-N 3.34Å; S86-V88 PolarHBondContact O-N 3.27Å; S86-V88 PolarHBondContact OG-N 3.2Å; S86-L89 PolarHBondContact O-N 3.21Å
87D61.9Low67.6Low139 Ų13992.4 Ų92.474%0.74347%0.47SS*.G310 helixtrans-58.4-22.3178.8-149.719.1000112.1E85 L89 S90E85-D87 PolarHBondContact O-N 2.77Å; D87-L89 PolarHBondContact O-N 3.31Å; D87-S90 VanDerWaalsContact O-CB 3.29Å; D87-S90 WeakPolarHBondContact O-CB 3.48Å; D87-S90 PolarHBondContact O-N 3.39Å; D87-S90 VanDerWaalsContact O-N 3.15Å; D87-S90 PolarHBondContact O-OG 2.9Å
88V60.7Low66.6Low44 Ų4491.7 Ų91.727%0.26746%0.464SS..G310 helixtrans-63-27.2174-179.90000112.6A65 Q72 S86A65-V88 HydrophobicContact CB-CG1 3.89Å; Q72-V88 HydrophobicContact CG-CG2 4.48Å; S86-V88 PolarHBondContact O-N 3.27Å; S86-V88 PolarHBondContact OG-N 3.2Å
89L60.7Low65.8Low20 Ų2085.6 Ų85.611%0.10543%0.434CS..G310 helixtrans-100.61.4177.6-67.5177.9000113.1K62 A65 V66 V82 D83 S86 D87 Q91K62-L89 HydrophobicContact CB-CD2 3.76Å; K62-L89 HydrophobicContact CG-CD2 4.05Å; K62-L89 WeakPolarHBondContact O-CD2 3.44Å; A65-L89 HydrophobicContact CB-CD2 4.05Å; V66-L89 HydrophobicContact CG2-CD1 4.21Å; V66-L89 HydrophobicContact CG2-CD2 4.08Å; V66-L89 HydrophobicContact CG2-CG 4.47Å; V82-L89 HydrophobicContact CG1-CD1 3.82Å; D83-L89 WeakPolarHBondContact O-CD1 3.18Å; S86-L89 PolarHBondContact O-N 3.21Å; D87-L89 PolarHBondContact O-N 3.31Å; L89-Q91 PolarHBondContact O-N 2.92Å
90S62.9Low65.3Low55 Ų5585.6 Ų85.639%0.38543%0.429SS..  trans-59.8138.7177.477.30000110.6D87 D92D87-S90 VanDerWaalsContact O-CB 3.29Å; D87-S90 WeakPolarHBondContact O-CB 3.48Å; D87-S90 PolarHBondContact O-N 3.39Å; D87-S90 VanDerWaalsContact O-N 3.15Å; D87-S90 PolarHBondContact O-OG 2.9Å; S90-D92 PolarHBondContact O-N 3.1Å
91Q53Low64.6Low170 Ų17090 Ų9079%0.79444%0.442SS*.THydrogen-bonded Turntrans-75.26.6-157.4-148.6162.91.500114.4L89L89-Q91 PolarHBondContact O-N 2.92Å
92D53.8Low64.1Low155 Ų15586.2 Ų86.283%0.82942%0.422SS*.THydrogen-bonded Turntrans-105.818.4-168.1-122.57.6000113.7S90 C94S90-D92 PolarHBondContact O-N 3.1Å; D92-C94 PolarHBondContact O-N 3.01Å; D92-C94 VanDerWaalsContact O-N 3.07Å
93R59.6Low63.7Low95 Ų9588.6 Ų88.636%0.35843%0.431SS..  trans-68.8108.8167.8-72.1-130.8-81.6-148.3-5.3109.3W95R93-W95 VanDerWaalsContact C-N 3.33Å; R93-W95 PolarHBondContact O-N 3.09Å; R93-W95 PolarHBondContact O-NE1 2.92Å
94C59.6Low63.9Low61 Ų6189.5 Ų89.541%0.41244%0.442SS..  trans-61.596.9167-1750000108.7D92 E96 E97 Y98D92-C94 PolarHBondContact O-N 3.01Å; D92-C94 VanDerWaalsContact O-N 3.07Å; C94-E96 PolarHBondContact O-N 3.45Å; C94-E96 VanDerWaalsContact O-N 3.16Å; C94-E97 HydrophobicContact CB-CB 4.3Å; C94-E97 HydrophobicContact CB-CG 4.05Å; C94-E97 PolarHBondContact O-N 3.37Å; C94-Y98 PolarHBondContact O-N 3.36Å
95W62.9Low64.4Low78 Ų7891.3 Ų91.330%0.29545%0.448SS..Hα-helixtrans-56.1-34.6-176.4-67.991.1000111.9F57 G61 R93 E97 Y98 W99F57-W95 HydrophobicContact CE1-CD2 4.49Å; F57-W95 HydrophobicContact CE1-CE3 4.23Å; G61-W95 VanDerWaalsContact CA-CH2 3.43Å; R93-W95 VanDerWaalsContact C-N 3.33Å; R93-W95 PolarHBondContact O-N 3.09Å; R93-W95 PolarHBondContact O-NE1 2.92Å; W95-E97 VanDerWaalsContact C-N 3.31Å; W95-E97 PolarHBondContact O-N 2.88Å; W95-Y98 PolarHBondContact O-N 3.37Å; W95-W99 AromaticContact CE3-NE1 3.89Å; W95-W99 WeakPolarHBondContact O-CB 3.33Å; W95-W99 PolarHBondContact O-N 3.19Å
96E61.4Low65.4Low115 Ų11588.8 Ų88.854%0.53744%0.439SS..Hα-helixtrans-59.2-41176.8-168-179.2171.100112.3C94 R100C94-E96 PolarHBondContact O-N 3.45Å; C94-E96 VanDerWaalsContact O-N 3.16Å; E96-R100 WeakPolarHBondContact O-CB 3.5Å; E96-R100 VanDerWaalsContact O-CG 3.28Å; E96-R100 WeakPolarHBondContact O-CG 3.49Å; E96-R100 PolarHBondContact O-N 2.85Å; E96-R100 IonicContact OE1-CZ 3.35Å; E96-R100 IonicContact OE1-NE 3.44Å; E96-R100 PolarHBondContact OE1-NE 3.43Å; E96-R100 IonicContact OE1-NH2 2.67Å; E96-R100 PolarHBondContact OE1-NH2 3.38Å
97E62.6Low66.6Low132 Ų13291 Ų9162%0.61745%0.452SS*.Hα-helixtrans-69.2-43.4178.8-68.1178.9173.400111.6C94 W95 W99 R100 L101C94-E97 HydrophobicContact CB-CB 4.3Å; C94-E97 HydrophobicContact CB-CG 4.05Å; C94-E97 PolarHBondContact O-N 3.37Å; W95-E97 VanDerWaalsContact C-N 3.31Å; W95-E97 PolarHBondContact O-N 2.88Å; E97-W99 PolarHBondContact O-N 2.89Å; E97-R100 PolarHBondContact O-N 2.95Å; E97-L101 PolarHBondContact O-N 2.9Å
98Y65.4Low67.8Low32 Ų3289.5 Ų89.513%0.12545%0.448CS..Hα-helixtrans-63.7-40.9176.3-179.4-102.7000112.1Y35 Y64 C94 W95 L101 L102Y35-Y98 HydrophobicContact CE1-CE1 4.01Å; Y64-Y98 WeakPolarHBondContact CD1-OH 3.35Å; Y64-Y98 HydrophobicContact CE1-CE2 4.47Å; Y64-Y98 AromaticContact CE1-CZ 3.84Å; Y64-Y98 WeakPolarHBondContact CE1-OH 3.25Å; C94-Y98 PolarHBondContact O-N 3.36Å; W95-Y98 PolarHBondContact O-N 3.37Å; Y98-L101 WeakPolarHBondContact O-CB 3.5Å; Y98-L101 PolarHBondContact O-N 2.66Å; Y98-L101 VanDerWaalsContact O-N 3.16Å; Y98-L102 HydrophobicContact CD1-CD1 4.06Å; Y98-L102 HydrophobicContact CD1-CG 4.48Å; Y98-L102 HydrophobicContact CE1-CD1 3.27Å; Y98-L102 HydrophobicContact CE1-CG 3.92Å; Y98-L102 PolarHBondContact O-N 3.01Å; Y98-L102 VanDerWaalsContact O-N 3.15Å; Y98-L102 WeakPolarHBondContact OH-CD1 3.41Å
99W67.4Low69.2Low33 Ų3394.1 Ų94.113%0.12547%0.466CS..Hα-helixtrans-70.9-32177-73.3119.1000112.8Y35 S39 F57 W95 E97 L101 L102 F103Y35-W99 HydrophobicContact CD1-CH2 4.35Å; Y35-W99 AromaticContact CE1-CH2 3.41Å; Y35-W99 HydrophobicContact CE1-CH2 3.41Å; Y35-W99 VanDerWaalsContact CE1-CH2 3.41Å; Y35-W99 HydrophobicContact CE1-CZ2 4.05Å; Y35-W99 HydrophobicContact CE1-CZ3 4.02Å; Y35-W99 AromaticContact CZ-CH2 3.76Å; Y35-W99 AromaticContact CZ-CZ2 3.97Å; Y35-W99 VanDerWaalsContact OH-CZ2 3.31Å; Y35-W99 WeakPolarHBondContact OH-CZ2 3.41Å; S39-W99 VanDerWaalsContact CB-CH2 3.44Å; S39-W99 WeakPolarHBondContact OG-CH2 3.32Å; S39-W99 WeakPolarHBondContact OG-CZ2 3.41Å; F57-W99 AromaticContact CE1-NE1 3.99Å; F57-W99 AromaticContact CE2-CZ2 3.75Å; F57-W99 HydrophobicContact CE2-CZ2 3.75Å; F57-W99 AromaticContact CZ-CE2 3.66Å; F57-W99 AromaticContact CZ-CZ2 3.51Å; F57-W99 HydrophobicContact CZ-CZ2 3.51Å; F57-W99 AromaticContact CZ-NE1 3.36Å; W95-W99 AromaticContact CE3-NE1 3.89Å; W95-W99 WeakPolarHBondContact O-CB 3.33Å; W95-W99 PolarHBondContact O-N 3.19Å; E97-W99 PolarHBondContact O-N 2.89Å; W99-L101 PolarHBondContact O-N 3.19Å; W99-L102 HydrophobicContact CE3-CB 3.99Å; W99-L102 HydrophobicContact CE3-CD1 3.59Å; W99-L102 HydrophobicContact CE3-CG 4.35Å; W99-L102 HydrophobicContact CH2-CD1 4.17Å; W99-L102 HydrophobicContact CZ3-CB 4.35Å; W99-L102 HydrophobicContact CZ3-CD1 3.4Å; W99-L102 PolarHBondContact O-N 3.44Å; W99-F103 HydrophobicContact CB-CD2 4.36Å; W99-F103 HydrophobicContact CD2-CD2 4.22Å; W99-F103 HydrophobicContact CD2-CE2 4.02Å; W99-F103 AromaticContact CE3-CD2 3.36Å; W99-F103 HydrophobicContact CE3-CD2 3.36Å; W99-F103 AromaticContact CE3-CE2 3.07Å; W99-F103 HydrophobicContact CE3-CE2 3.07Å; W99-F103 HydrophobicContact CE3-CZ 4.28Å; W99-F103 HydrophobicContact CH2-CE2 4.34Å; W99-F103 AromaticContact CZ3-CD2 3.97Å; W99-F103 HydrophobicContact CZ3-CD2 3.97Å; W99-F103 AromaticContact CZ3-CE2 3.25Å; W99-F103 HydrophobicContact CZ3-CE2 3.25Å; W99-F103 HydrophobicContact CZ3-CZ 4.1Å; W99-F103 WeakPolarHBondContact O-CA 3.42Å; W99-F103 WeakPolarHBondContact O-CB 3.4Å; W99-F103 PolarHBondContact O-N 3.32Å
100R70Confident70.6Confident125 Ų12596.6 Ų96.647%0.47248%0.48SS..Hα-helixtrans-63.9-26.6170-75.7176-176-167.66.4112.8E96 E97 F103E96-R100 WeakPolarHBondContact O-CB 3.5Å; E96-R100 VanDerWaalsContact O-CG 3.28Å; E96-R100 WeakPolarHBondContact O-CG 3.49Å; E96-R100 PolarHBondContact O-N 2.85Å; E96-R100 IonicContact OE1-CZ 3.35Å; E96-R100 IonicContact OE1-NE 3.44Å; E96-R100 PolarHBondContact OE1-NE 3.43Å; E96-R100 IonicContact OE1-NH2 2.67Å; E96-R100 PolarHBondContact OE1-NH2 3.38Å; E97-R100 PolarHBondContact O-N 2.95Å; R100-F103 CarbonylContact O-C 3.58Å
101L64.3Low71.9Confident132 Ų13298.5 Ų98.569%0.69148%0.484SS*.Hα-helixtrans-76.6-33.8172.7-66.7169.6000112.8E97 Y98 W99E97-L101 PolarHBondContact O-N 2.9Å; Y98-L101 WeakPolarHBondContact O-CB 3.5Å; Y98-L101 PolarHBondContact O-N 2.66Å; Y98-L101 VanDerWaalsContact O-N 3.16Å; W99-L101 PolarHBondContact O-N 3.19Å
102L68.3Low73.7Confident25 Ų2594.2 Ų94.213%0.13147%0.467CS..Hα-helixtrans-83.5-41.7178.9-71.1-173000113.2R32 Y35 Y98 W99 P104R32-L102 HydrophobicContact CG-CD2 4.19Å; Y35-L102 HydrophobicContact CD1-CD1 4.26Å; Y35-L102 HydrophobicContact CE1-CD1 3.84Å; Y98-L102 HydrophobicContact CD1-CD1 4.06Å; Y98-L102 HydrophobicContact CD1-CG 4.48Å; Y98-L102 HydrophobicContact CE1-CD1 3.27Å; Y98-L102 HydrophobicContact CE1-CG 3.92Å; Y98-L102 PolarHBondContact O-N 3.01Å; Y98-L102 VanDerWaalsContact O-N 3.15Å; Y98-L102 WeakPolarHBondContact OH-CD1 3.41Å; W99-L102 HydrophobicContact CE3-CB 3.99Å; W99-L102 HydrophobicContact CE3-CD1 3.59Å; W99-L102 HydrophobicContact CE3-CG 4.35Å; W99-L102 HydrophobicContact CH2-CD1 4.17Å; W99-L102 HydrophobicContact CZ3-CB 4.35Å; W99-L102 HydrophobicContact CZ3-CD1 3.4Å; W99-L102 PolarHBondContact O-N 3.44Å; L102-P104 WeakPolarHBondContact O-CD 3.18Å
103F71.4Confident75.5Confident71 Ų7192.8 Ų92.831%0.31146%0.455SS..SBendtrans-110.785.8175.7-61.3-85.4000107.6Y36 L40 W99 R100 K105Y36-F103 AromaticContact CD2-CE1 3.83Å; Y36-F103 HydrophobicContact CD2-CE1 3.83Å; Y36-F103 HydrophobicContact CD2-CE2 4.38Å; Y36-F103 AromaticContact CD2-CZ 3.65Å; Y36-F103 HydrophobicContact CD2-CZ 3.65Å; Y36-F103 AromaticContact CE2-CD1 3.55Å; Y36-F103 HydrophobicContact CE2-CD1 3.55Å; Y36-F103 AromaticContact CE2-CE1 2.89Å; Y36-F103 HydrophobicContact CE2-CE1 2.89Å; Y36-F103 HydrophobicContact CE2-CE2 4.17Å; Y36-F103 HydrophobicContact CE2-CG 4.43Å; Y36-F103 AromaticContact CE2-CZ 3.2Å; Y36-F103 HydrophobicContact CE2-CZ 3.2Å; Y36-F103 AromaticContact CZ-CE1 3.3Å; Y36-F103 AromaticContact CZ-CZ 3.83Å; Y36-F103 WeakPolarHBondContact OH-CE1 3.36Å; L40-F103 HydrophobicContact CD2-CE1 4.48Å; L40-F103 HydrophobicContact CD2-CZ 4.02Å; W99-F103 HydrophobicContact CB-CD2 4.36Å; W99-F103 HydrophobicContact CD2-CD2 4.22Å; W99-F103 HydrophobicContact CD2-CE2 4.02Å; W99-F103 AromaticContact CE3-CD2 3.36Å; W99-F103 HydrophobicContact CE3-CD2 3.36Å; W99-F103 AromaticContact CE3-CE2 3.07Å; W99-F103 HydrophobicContact CE3-CE2 3.07Å; W99-F103 HydrophobicContact CE3-CZ 4.28Å; W99-F103 HydrophobicContact CH2-CE2 4.34Å; W99-F103 AromaticContact CZ3-CD2 3.97Å; W99-F103 HydrophobicContact CZ3-CD2 3.97Å; W99-F103 AromaticContact CZ3-CE2 3.25Å; W99-F103 HydrophobicContact CZ3-CE2 3.25Å; W99-F103 HydrophobicContact CZ3-CZ 4.1Å; W99-F103 WeakPolarHBondContact O-CA 3.42Å; W99-F103 WeakPolarHBondContact O-CB 3.4Å; W99-F103 PolarHBondContact O-N 3.32Å; R100-F103 CarbonylContact O-C 3.58Å; F103-K105 PolarHBondContact O-N 3.5Å
104P78.1Confident77.1Confident98 Ų9892.8 Ų92.864%0.63646%0.458SS*.PPolyproline II helixtrans-53.8138.9171.124-32.4000108.5L102 I106L102-P104 WeakPolarHBondContact O-CD 3.18Å; P104-I106 PolarHBondContact O-N 3.15Å; P104-I106 VanDerWaalsContact O-N 3.12Å
105K78.9Confident78.6Confident134 Ų13492.8 Ų92.858%0.58345%0.452SS*.PPolyproline II helixtrans-59121.7176.8-71.9-173.4176.4-174.70107.9F103 T107F103-K105 PolarHBondContact O-N 3.5Å; K105-T107 PolarHBondContact O-N 2.86Å; K105-T107 VanDerWaalsContact O-N 3.12Å
106I85.4Confident80Confident134 Ų13497 Ų9769%0.68747%0.472SS*.PPolyproline II helixtrans-64.1116.4173.1-61.7173.7000106.7P104 D110 I111P104-I106 PolarHBondContact O-N 3.15Å; P104-I106 VanDerWaalsContact O-N 3.12Å; I106-D110 HydrophobicContact CG2-CB 4.18Å; I106-I111 HydrophobicContact CG2-CD1 4.21Å; I106-I111 HydrophobicContact CG2-CG1 3.77Å
107T89.7Confident81.5Confident62 Ų6299.3 Ų99.338%0.3848%0.48SS..PPolyproline II helixtrans-87.6161.7176.567.70000109.9K105 Q109 D110 I111K105-T107 PolarHBondContact O-N 2.86Å; K105-T107 VanDerWaalsContact O-N 3.12Å; T107-Q109 PolarHBondContact O-N 3.06Å; T107-Q109 PolarHBondContact OG1-N 3.33Å; T107-D110 WeakPolarHBondContact CB-OD2 3.46Å; T107-D110 PolarHBondContact N-OD2 2.64Å; T107-D110 PolarHBondContact O-N 3.27Å; T107-D110 VanDerWaalsContact O-N 3.15Å; T107-D110 PolarHBondContact OG1-N 3.36Å; T107-D110 PolarHBondContact OG1-OD2 2.91Å; T107-I111 PolarHBondContact O-N 3.19Å
108V87.9Confident82.9Confident109 Ų10993.3 Ų93.366%0.66145%0.452SS*.Hα-helixtrans-57.8-31.7171.1-178.70000110.7I111 L112V108-I111 PolarHBondContact O-N 2.96Å; V108-L112 HydrophobicContact CG1-CD1 4.23Å; V108-L112 HydrophobicContact CG1-CG 4.48Å; V108-L112 VanDerWaalsContact O-CG 3.32Å; V108-L112 WeakPolarHBondContact O-CG 3.21Å; V108-L112 PolarHBondContact O-N 3.26Å
109Q89.7Confident84.2Confident140 Ų14094.4 Ų94.465%0.65446%0.458SS*.Hα-helixtrans-65.1-44.1176.8-64.8-179.4-6.900111.7T107 I111 L112 E113T107-Q109 PolarHBondContact O-N 3.06Å; T107-Q109 PolarHBondContact OG1-N 3.33Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 2.94Å; Q109-L112 PolarHBondContact O-N 2.99Å; Q109-L112 VanDerWaalsContact O-N 3.15Å; Q109-E113 WeakPolarHBondContact O-CG 3.07Å; Q109-E113 PolarHBondContact O-N 3.33Å
110D89.4Confident85.1Confident72 Ų7296.1 Ų96.139%0.38549%0.486SS..Hα-helixtrans-59.8-38.6176.8-58.8-53.1000111.6I106 T107 E113 F114I106-D110 HydrophobicContact CG2-CB 4.18Å; T107-D110 WeakPolarHBondContact CB-OD2 3.46Å; T107-D110 PolarHBondContact N-OD2 2.64Å; T107-D110 PolarHBondContact O-N 3.27Å; T107-D110 VanDerWaalsContact O-N 3.15Å; T107-D110 PolarHBondContact OG1-N 3.36Å; T107-D110 PolarHBondContact OG1-OD2 2.91Å; D110-E113 PolarHBondContact O-N 3.43Å; D110-F114 VanDerWaalsContact O-CB 3.3Å; D110-F114 WeakPolarHBondContact O-CB 3.46Å; D110-F114 PolarHBondContact O-N 3.21Å
111I90.1Very high86.3Confident95 Ų9591.6 Ų91.649%0.48747%0.473SS..Hα-helixtrans-64.7-45.6176.5-61.8171.3000110.6I106 T107 V108 Q109 F114 E115I106-I111 HydrophobicContact CG2-CD1 4.21Å; I106-I111 HydrophobicContact CG2-CG1 3.77Å; T107-I111 PolarHBondContact O-N 3.19Å; V108-I111 PolarHBondContact O-N 2.96Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 2.94Å; I111-F114 PolarHBondContact O-N 3.02Å; I111-E115 WeakPolarHBondContact O-CB 3.41Å; I111-E115 PolarHBondContact O-N 3.17Å
112L91Very high87.6Confident81 Ų8191.3 Ų91.342%0.42447%0.472SS..Hα-helixtrans-67.2-36.6179.1-68.4172000112.4V108 Q109 K116V108-L112 HydrophobicContact CG1-CD1 4.23Å; V108-L112 HydrophobicContact CG1-CG 4.48Å; V108-L112 VanDerWaalsContact O-CG 3.32Å; V108-L112 WeakPolarHBondContact O-CG 3.21Å; V108-L112 PolarHBondContact O-N 3.26Å; Q109-L112 PolarHBondContact O-N 2.99Å; Q109-L112 VanDerWaalsContact O-N 3.15Å; L112-K116 VanDerWaalsContact O-CG 3.27Å; L112-K116 WeakPolarHBondContact O-CG 3.38Å; L112-K116 PolarHBondContact O-N 3.16Å; L112-K116 VanDerWaalsContact O-N 3.09Å
113E92.7Very high88.8Confident124 Ų12495.6 Ų95.658%0.57949%0.491SS*.Hα-helixtrans-66.6-44174.1-74.7-176.7-175.100111.5Q109 D110 K116 K117Q109-E113 WeakPolarHBondContact O-CG 3.07Å; Q109-E113 PolarHBondContact O-N 3.33Å; D110-E113 PolarHBondContact O-N 3.43Å; E113-K116 PolarHBondContact O-N 3.38Å; E113-K117 PolarHBondContact O-N 3.21Å
114F91.9Very high89.9Confident95 Ų9592.2 Ų92.242%0.41748%0.477SS..Hα-helixtrans-59.7-47.1174177-93000111.3D110 I111 K116 K117 Y118 L147D110-F114 VanDerWaalsContact O-CB 3.3Å; D110-F114 WeakPolarHBondContact O-CB 3.46Å; D110-F114 PolarHBondContact O-N 3.21Å; I111-F114 PolarHBondContact O-N 3.02Å; F114-K116 VanDerWaalsContact C-N 3.32Å; F114-K116 PolarHBondContact O-N 2.96Å; F114-K117 PolarHBondContact O-N 3.3Å; F114-K117 VanDerWaalsContact O-N 3.14Å; F114-Y118 HydrophobicContact CE1-CG 4.39Å; F114-Y118 HydrophobicContact CZ-CD2 4.3Å; F114-Y118 HydrophobicContact CZ-CG 4.42Å; F114-Y118 WeakPolarHBondContact O-CB 3.37Å; F114-Y118 PolarHBondContact O-N 3.49Å; F114-L147 HydrophobicContact CE1-CD2 3.64Å; F114-L147 HydrophobicContact CE1-CG 4.3Å; F114-L147 HydrophobicContact CZ-CD2 3.73Å
115E91.4Very high90.6Very high62 Ų6291.7 Ų91.729%0.2946%0.462SS..Hα-helixtrans-56.9-45.4178-175.2-175.7172.100111.7I111 K117 Y118 K119 C148I111-E115 WeakPolarHBondContact O-CB 3.41Å; I111-E115 PolarHBondContact O-N 3.17Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.95Å; E115-Y118 PolarHBondContact O-N 3.35Å; E115-K119 HydrophobicContact CG-CD 3.92Å; E115-K119 HydrophobicContact CG-CG 4.32Å; E115-K119 WeakPolarHBondContact O-CB 3.48Å; E115-K119 WeakPolarHBondContact O-CG 3.46Å; E115-K119 PolarHBondContact O-N 3.39Å; E115-K119 WeakPolarHBondContact OE1-CE 3.45Å; E115-K119 IonicContact OE1-NZ 2.71Å; E115-K119 PolarHBondContact OE1-NZ 2.87Å; E115-C148 HydrophobicContact CG-CB 4.15Å
116K92Very high91.3Very high165 Ų16590.5 Ų90.572%0.71746%0.458SS*.Hα-helixtrans-63.6-36.9177.9-74.6170.7-174.7173.40112.9L112 E113 F114L112-K116 VanDerWaalsContact O-CG 3.27Å; L112-K116 WeakPolarHBondContact O-CG 3.38Å; L112-K116 PolarHBondContact O-N 3.16Å; L112-K116 VanDerWaalsContact O-N 3.09Å; E113-K116 PolarHBondContact O-N 3.38Å; F114-K116 VanDerWaalsContact C-N 3.32Å; F114-K116 PolarHBondContact O-N 2.96Å
117K93.3Very high91.7Very high164 Ų16486.3 Ų86.371%0.71344%0.437SS*.Hα-helixtrans-74.6-39.4179.4-175.1-177173.4-168.70111.7E113 F114 E115 S121E113-K117 PolarHBondContact O-N 3.21Å; F114-K117 PolarHBondContact O-N 3.3Å; F114-K117 VanDerWaalsContact O-N 3.14Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.95Å; K117-S121 WeakPolarHBondContact O-CB 3.45Å
118Y93.3Very high91.9Very high7 Ų783.4 Ų83.43%0.02742%0.42CS..Hα-helixtrans-73.8-44.6-177.3178-96.3000111.9F114 E115 G120 S121 E123 E124 D127 L147 C148F114-Y118 HydrophobicContact CE1-CG 4.39Å; F114-Y118 HydrophobicContact CZ-CD2 4.3Å; F114-Y118 HydrophobicContact CZ-CG 4.42Å; F114-Y118 WeakPolarHBondContact O-CB 3.37Å; F114-Y118 PolarHBondContact O-N 3.49Å; E115-Y118 PolarHBondContact O-N 3.35Å; Y118-G120 PolarHBondContact O-N 3.05Å; Y118-S121 VanDerWaalsContact O-CB 3.26Å; Y118-S121 WeakPolarHBondContact O-CB 3.4Å; Y118-S121 PolarHBondContact O-N 2.82Å; Y118-S121 PolarHBondContact O-OG 3.1Å; Y118-E123 HydrophobicContact CE2-CB 4.48Å; Y118-E124 HydrophobicContact CD1-CB 4.22Å; Y118-E124 HydrophobicContact CD1-CG 4.42Å; Y118-E124 HydrophobicContact CD2-CB 4.44Å; Y118-E124 HydrophobicContact CE1-CB 3.78Å; Y118-E124 HydrophobicContact CE1-CG 3.74Å; Y118-E124 HydrophobicContact CE2-CB 4.03Å; Y118-E124 WeakPolarHBondContact O-CB 3.35Å; Y118-D127 PolarHBondContact OH-OD2 2.92Å; Y118-L147 HydrophobicContact CD2-CD2 4.43Å; Y118-L147 HydrophobicContact CE1-CB 4.04Å; Y118-L147 HydrophobicContact CE1-CG 4.42Å; Y118-L147 WeakPolarHBondContact CE1-O 3.29Å; Y118-L147 HydrophobicContact CE2-CD2 4.21Å; Y118-C148 HydrophobicContact CD1-CB 4.01Å; Y118-C148 HydrophobicContact CE1-CB 4.38Å
119K90.9Very high92.2Very high55 Ų5579.2 Ų79.224%0.23939%0.393CS..THydrogen-bonded Turntrans-64.3121.3-179.5-72.5-174.7175.4-174.20111.5E115 S121 E124 C148 D153E115-K119 HydrophobicContact CG-CD 3.92Å; E115-K119 HydrophobicContact CG-CG 4.32Å; E115-K119 WeakPolarHBondContact O-CB 3.48Å; E115-K119 WeakPolarHBondContact O-CG 3.46Å; E115-K119 PolarHBondContact O-N 3.39Å; E115-K119 WeakPolarHBondContact OE1-CE 3.45Å; E115-K119 IonicContact OE1-NZ 2.71Å; E115-K119 PolarHBondContact OE1-NZ 2.87Å; K119-S121 VanDerWaalsContact C-N 3.33Å; K119-E124 WeakPolarHBondContact CA-OE2 3.23Å; K119-C148 WeakPolarHBondContact CE-O 3.38Å; K119-C148 PolarHBondContact NZ-O 3.49Å; K119-D153 IonicContact NZ-OD1 3.01Å; K119-D153 IonicContact NZ-OD2 3.84Å; K119-D153 PolarHBondContact NZ-OD2 2.87Å
120G88.3Confident92.4Very high69 Ų6979.4 Ų79.471%0.71139%0.388SS*.THydrogen-bonded Turntrans83.14.8-177.800000114.6Y118 E124Y118-G120 PolarHBondContact O-N 3.05Å; G120-E124 PolarHBondContact N-OE2 3.46Å
121S93.4Very high92.7Very high30 Ų3077 Ų7721%0.2138%0.375CS..SBendtrans-79.6165.6175.271.10000112.6K117 Y118 K119 E123 E124 R125K117-S121 WeakPolarHBondContact O-CB 3.45Å; Y118-S121 VanDerWaalsContact O-CB 3.26Å; Y118-S121 WeakPolarHBondContact O-CB 3.4Å; Y118-S121 PolarHBondContact O-N 2.82Å; Y118-S121 PolarHBondContact O-OG 3.1Å; 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 3.14Å; S121-E124 PolarHBondContact OG-N 2.95Å; S121-R125 PolarHBondContact O-N 2.98Å
122D92.8Very high92.9Very high126 Ų12672.5 Ų72.567%0.67435%0.352SS*.Hα-helixtrans-65.7-33.5171.6-65.7-36.8000111.9E124 R125 E126D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.18Å; D122-R125 WeakPolarHBondContact O-CB 3.44Å; D122-R125 PolarHBondContact O-N 3.35Å; D122-R125 VanDerWaalsContact O-N 3.16Å; D122-E126 WeakPolarHBondContact O-CG 3.42Å; D122-E126 PolarHBondContact O-N 3.43Å
123E92.8Very high93Very high114 Ų11472.3 Ų72.353%0.53335%0.354SS..Hα-helixtrans-58.6-46.8176.1-64.5179.5-178.900110.7Y118 S121 R125 E126 D127Y118-E123 HydrophobicContact CE2-CB 4.48Å; 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 2.75Å; E123-E126 PolarHBondContact O-N 3.03Å; E123-D127 WeakPolarHBondContact O-CB 3.21Å; E123-D127 PolarHBondContact O-N 2.82Å
124E94.3Very high93.1Very high1 Ų172.6 Ų72.61%0.00536%0.355CS..Hα-helixtrans-62.5-41.5176.6176.8177-132.700112.2Y118 K119 G120 S121 D122 E126 D127 V128 R156 I160Y118-E124 HydrophobicContact CD1-CB 4.22Å; Y118-E124 HydrophobicContact CD1-CG 4.42Å; Y118-E124 HydrophobicContact CD2-CB 4.44Å; Y118-E124 HydrophobicContact CE1-CB 3.78Å; Y118-E124 HydrophobicContact CE1-CG 3.74Å; Y118-E124 HydrophobicContact CE2-CB 4.03Å; Y118-E124 WeakPolarHBondContact O-CB 3.35Å; K119-E124 WeakPolarHBondContact CA-OE2 3.23Å; G120-E124 PolarHBondContact N-OE2 3.46Å; S121-E124 PolarHBondContact O-N 3.14Å; S121-E124 PolarHBondContact OG-N 2.95Å; D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.18Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.17Å; E124-D127 PolarHBondContact O-N 3.23Å; E124-V128 HydrophobicContact CG-CG2 4.12Å; E124-V128 WeakPolarHBondContact O-CB 3.46Å; E124-V128 WeakPolarHBondContact O-CG2 3.4Å; E124-V128 PolarHBondContact O-N 3.42Å; E124-R156 IonicContact OE1-CZ 3.1Å; E124-R156 IonicContact OE1-NH1 2.8Å; E124-R156 PolarHBondContact OE1-NH1 3.12Å; E124-R156 IonicContact OE1-NH2 3.67Å; E124-R156 PolarHBondContact OE1-NH2 3.39Å; E124-R156 IonicContact OE2-CZ 2.76Å; E124-R156 IonicContact OE2-NH1 3.17Å; E124-R156 PolarHBondContact OE2-NH1 3.27Å; E124-I160 HydrophobicContact CG-CD1 4.43Å
125R93.4Very high93.3Very high87 Ų8770.4 Ų70.433%0.32835%0.346SS..Hα-helixtrans-59.1-46.8177.7170.6-178.8165.9-76.21.9110.8S121 D122 E123 V128 I129 I160 E169S121-R125 PolarHBondContact O-N 2.98Å; D122-R125 WeakPolarHBondContact O-CB 3.44Å; D122-R125 PolarHBondContact O-N 3.35Å; D122-R125 VanDerWaalsContact O-N 3.16Å; E123-R125 VanDerWaalsContact C-N 3.33Å; E123-R125 PolarHBondContact O-N 2.75Å; R125-V128 PolarHBondContact O-N 3.42Å; R125-I129 HydrophobicContact CG-CD1 3.86Å; R125-I129 WeakPolarHBondContact O-CD1 3.34Å; R125-I129 VanDerWaalsContact O-CG1 3.25Å; R125-I129 WeakPolarHBondContact O-CG1 3.47Å; R125-I129 PolarHBondContact O-N 3.31Å; R125-I160 HydrophobicContact CB-CG2 4.24Å; R125-I160 HydrophobicContact CG-CG2 3.99Å; R125-E169 IonicContact CZ-OE1 3.74Å; R125-E169 IonicContact CZ-OE2 3.52Å; R125-E169 IonicContact NH1-OE1 2.64Å; R125-E169 IonicContact NH2-OE1 2.69Å; R125-E169 PolarHBondContact NH2-OE1 2.88Å; R125-E169 IonicContact NH2-OE2 2.73Å; R125-E169 PolarHBondContact NH2-OE2 2.95Å
126E93.9Very high93.3Very high108 Ų10873.9 Ų73.951%0.50536%0.362SS..Hα-helixtrans-63.1-43.6178.5-71.4-179.9-177.200112.1D122 E123 E124 I129 R130D122-E126 WeakPolarHBondContact O-CG 3.42Å; D122-E126 PolarHBondContact O-N 3.43Å; E123-E126 PolarHBondContact O-N 3.03Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.17Å; E126-I129 PolarHBondContact O-N 2.87Å; E126-R130 WeakPolarHBondContact O-CB 3.45Å; E126-R130 PolarHBondContact O-N 3.47Å
127D94.6Very high93.2Very high46 Ų4666 Ų6625%0.24633%0.328CS..Hα-helixtrans-65.2-41.5178.5-76-15.4000111.6Y118 E123 E124 R130 L131Y118-D127 PolarHBondContact OH-OD2 2.92Å; E123-D127 WeakPolarHBondContact O-CB 3.21Å; E123-D127 PolarHBondContact O-N 2.82Å; E124-D127 PolarHBondContact O-N 3.23Å; D127-R130 WeakPolarHBondContact O-CB 3.29Å; D127-R130 PolarHBondContact O-N 2.9Å; D127-R130 IonicContact OD1-CZ 2.57Å; D127-R130 VanDerWaalsContact OD1-CZ 3.26Å; D127-R130 IonicContact OD1-NE 3.44Å; D127-R130 IonicContact OD1-NH1 3.84Å; D127-R130 IonicContact OD1-NH2 3.99Å; D127-R130 PolarHBondContact OD1-NH2 2.69Å; D127-L131 WeakPolarHBondContact O-CB 3.23Å; D127-L131 VanDerWaalsContact O-CG 3.31Å; D127-L131 WeakPolarHBondContact O-CG 3.43Å; D127-L131 PolarHBondContact O-N 2.79Å
128V93.6Very high93.1Very high1 Ų160.7 Ų60.71%0.00631%0.308CS..Hα-helixtrans-64.7-41.4176.1171.70000111.5E124 R125 R130 L131 Y132 L157 I160 I161E124-V128 HydrophobicContact CG-CG2 4.12Å; E124-V128 WeakPolarHBondContact O-CB 3.46Å; E124-V128 WeakPolarHBondContact O-CG2 3.4Å; E124-V128 PolarHBondContact O-N 3.42Å; R125-V128 PolarHBondContact O-N 3.42Å; V128-R130 VanDerWaalsContact C-N 3.33Å; V128-L131 PolarHBondContact O-N 2.92Å; V128-Y132 VanDerWaalsContact O-CB 3.28Å; V128-Y132 WeakPolarHBondContact O-CB 3.38Å; V128-Y132 PolarHBondContact O-N 3.17Å; V128-L157 HydrophobicContact CG2-CD2 3.61Å; V128-I160 HydrophobicContact CB-CG2 4.21Å; V128-I160 HydrophobicContact CG1-CB 4.35Å; V128-I160 HydrophobicContact CG1-CG2 4Å; V128-I161 HydrophobicContact CG1-CD1 4.04Å; V128-I161 HydrophobicContact CG1-CG1 3.68Å
129I93.7Very high92.8Very high21 Ų2160.5 Ų60.511%0.10831%0.307CS..Hα-helixtrans-63.9-42.4175.4-70.9166.5000110.3R125 E126 Y132 V133 A164 V170R125-I129 HydrophobicContact CG-CD1 3.86Å; R125-I129 WeakPolarHBondContact O-CD1 3.34Å; R125-I129 VanDerWaalsContact O-CG1 3.25Å; R125-I129 WeakPolarHBondContact O-CG1 3.47Å; R125-I129 PolarHBondContact O-N 3.31Å; E126-I129 PolarHBondContact O-N 2.87Å; I129-Y132 WeakPolarHBondContact O-CB 3.42Å; I129-Y132 PolarHBondContact O-N 3.4Å; I129-V133 WeakPolarHBondContact O-CG2 3.38Å; I129-V133 PolarHBondContact O-N 3.4Å; I129-A164 HydrophobicContact CD1-CB 3.87Å; I129-A164 HydrophobicContact CG1-CB 3.98Å; I129-V170 HydrophobicContact CG1-CG2 4.36Å; I129-V170 HydrophobicContact CG2-CG1 4.46Å; I129-V170 HydrophobicContact CG2-CG2 3.78Å
130R94.8Very high92.7Very high145 Ų14560.6 Ų60.655%0.54731%0.31SS..Hα-helixtrans-60.2-47.7176.9-169-172.7-45.5172.115.8111.6E126 D127 V128 Y132 V133 Q134E126-R130 WeakPolarHBondContact O-CB 3.45Å; E126-R130 PolarHBondContact O-N 3.47Å; D127-R130 WeakPolarHBondContact O-CB 3.29Å; D127-R130 PolarHBondContact O-N 2.9Å; D127-R130 IonicContact OD1-CZ 2.57Å; D127-R130 VanDerWaalsContact OD1-CZ 3.26Å; D127-R130 IonicContact OD1-NE 3.44Å; D127-R130 IonicContact OD1-NH1 3.84Å; D127-R130 IonicContact OD1-NH2 3.99Å; D127-R130 PolarHBondContact OD1-NH2 2.69Å; V128-R130 VanDerWaalsContact C-N 3.33Å; R130-Y132 VanDerWaalsContact C-N 3.31Å; R130-Y132 PolarHBondContact O-N 3.11Å; R130-V133 PolarHBondContact O-N 3.23Å; R130-Q134 WeakPolarHBondContact O-CB 3.48Å; R130-Q134 PolarHBondContact O-N 2.7Å
131L94.4Very high92.7Very high21 Ų2158.5 Ų58.511%0.1129%0.286CS..Hα-helixtrans-63.6-37.5176-71.4173.1000111.9D127 V128 V133 Q134 H135 I142 A146D127-L131 WeakPolarHBondContact O-CB 3.23Å; D127-L131 VanDerWaalsContact O-CG 3.31Å; D127-L131 WeakPolarHBondContact O-CG 3.43Å; D127-L131 PolarHBondContact O-N 2.79Å; V128-L131 PolarHBondContact O-N 2.92Å; L131-V133 PolarHBondContact O-N 3.21Å; L131-Q134 PolarHBondContact O-N 2.9Å; L131-H135 WeakPolarHBondContact O-CB 3.37Å; L131-H135 PolarHBondContact O-CD2 3.21Å; L131-H135 VanDerWaalsContact O-CD2 3.32Å; L131-H135 PolarHBondContact O-N 3.21Å; L131-I142 HydrophobicContact CB-CG1 4.39Å; L131-I142 HydrophobicContact CB-CG2 4.24Å; L131-A146 HydrophobicContact CD1-CB 3.84Å
132Y93.8Very high92.6Very high1 Ų157.1 Ų57.10%0.00428%0.276CS..Hα-helixtrans-61.1-43.8176.6178.7-102.3000112.3V128 I129 R130 E136 G137 I142 I161 V170 E171 F173 F176V128-Y132 VanDerWaalsContact O-CB 3.28Å; V128-Y132 WeakPolarHBondContact O-CB 3.38Å; V128-Y132 PolarHBondContact O-N 3.17Å; I129-Y132 WeakPolarHBondContact O-CB 3.42Å; I129-Y132 PolarHBondContact O-N 3.4Å; R130-Y132 VanDerWaalsContact C-N 3.31Å; R130-Y132 PolarHBondContact O-N 3.11Å; Y132-E136 PolarHBondContact O-N 3.14Å; Y132-E136 VanDerWaalsContact O-N 3.13Å; Y132-G137 PolarHBondContact O-N 3.15Å; Y132-I142 HydrophobicContact CD2-CD1 3.94Å; Y132-I161 HydrophobicContact CD1-CG2 4.4Å; Y132-I161 HydrophobicContact CD2-CB 4.46Å; Y132-I161 HydrophobicContact CD2-CD1 3.84Å; Y132-I161 HydrophobicContact CD2-CG1 4.09Å; Y132-I161 HydrophobicContact CD2-CG2 3.51Å; Y132-I161 HydrophobicContact CE1-CG2 4.31Å; Y132-I161 HydrophobicContact CE2-CG2 3.4Å; Y132-I161 HydrophobicContact CG-CD1 4.47Å; Y132-I161 HydrophobicContact CG-CG1 4.35Å; Y132-I161 HydrophobicContact CG-CG2 4.02Å; Y132-V170 HydrophobicContact CD1-CB 4.31Å; Y132-V170 HydrophobicContact CD1-CG1 3.87Å; Y132-V170 HydrophobicContact CE1-CB 4.27Å; Y132-V170 HydrophobicContact CE1-CG1 4.1Å; Y132-E171 WeakPolarHBondContact CE1-O 3.39Å; Y132-E171 PolarHBondContact OH-O 3.43Å; Y132-F173 HydrophobicContact CD1-CD2 4.09Å; Y132-F173 HydrophobicContact CD1-CE2 4.13Å; Y132-F173 AromaticContact CE1-CD2 3.44Å; Y132-F173 HydrophobicContact CE1-CD2 3.44Å; Y132-F173 VanDerWaalsContact CE1-CD2 3.44Å; Y132-F173 AromaticContact CE1-CE2 3.78Å; Y132-F173 HydrophobicContact CE1-CE2 3.78Å; Y132-F173 HydrophobicContact CE2-CD2 4.23Å; Y132-F173 AromaticContact CZ-CD2 3.52Å; Y132-F173 PolarHBondContact OH-N 3.49Å; Y132-F176 HydrophobicContact CE2-CB 3.75Å; Y132-F176 HydrophobicContact CE2-CD1 4.22Å; Y132-F176 HydrophobicContact CE2-CD2 4.11Å; Y132-F176 AromaticContact CE2-CG 3.78Å; Y132-F176 HydrophobicContact CE2-CG 3.78Å
133V94.6Very high92.3Very high76 Ų7652.2 Ų52.246%0.46125%0.251SS..Hα-helixtrans-68.5-45.5175176.40000110.9I129 R130 L131 H135 E136 V170I129-V133 WeakPolarHBondContact O-CG2 3.38Å; I129-V133 PolarHBondContact O-N 3.4Å; R130-V133 PolarHBondContact O-N 3.23Å; L131-V133 PolarHBondContact O-N 3.21Å; V133-H135 VanDerWaalsContact C-N 3.28Å; V133-H135 PolarHBondContact O-N 3.43Å; V133-E136 PolarHBondContact O-N 3.13Å; V133-V170 HydrophobicContact CG2-CG1 3.46Å; V133-V170 VanDerWaalsContact CG2-CG1 3.46Å
134Q95.3Very high92Very high130 Ų13050.9 Ų50.961%0.60726%0.26SS*.Hα-helixtrans-61.1-35.9-178.5-178.2177.5-6.500113.1R130 L131R130-Q134 WeakPolarHBondContact O-CB 3.48Å; R130-Q134 PolarHBondContact O-N 2.7Å; L131-Q134 PolarHBondContact O-N 2.9Å
135H94.8Very high91.7Very high49 Ų4953.9 Ų53.923%0.22728%0.281CS..THydrogen-bonded Turntrans-105.514.2-178.1-63.6-61.7000113.7L131 V133 G137 D138 A141 I142L131-H135 WeakPolarHBondContact O-CB 3.37Å; L131-H135 PolarHBondContact O-CD2 3.21Å; L131-H135 VanDerWaalsContact O-CD2 3.32Å; L131-H135 PolarHBondContact O-N 3.21Å; V133-H135 VanDerWaalsContact C-N 3.28Å; V133-H135 PolarHBondContact O-N 3.43Å; H135-G137 PolarHBondContact O-N 3.08Å; H135-D138 PolarHBondContact O-N 2.91Å; H135-A141 HydrophobicContact CB-CB 3.94Å; H135-I142 HydrophobicContact CB-CG1 4.09Å
136E92.4Very high91.5Very high135 Ų13550.4 Ų50.463%0.63127%0.27SS*.THydrogen-bonded Turntrans49.737.1177.5-56.8-177.6173.400113.2Y132 V133 F173Y132-E136 PolarHBondContact O-N 3.14Å; Y132-E136 VanDerWaalsContact O-N 3.13Å; V133-E136 PolarHBondContact O-N 3.13Å; E136-F173 VanDerWaalsContact C-CD2 3.43Å; E136-F173 VanDerWaalsContact C-CG 3.46Å; E136-F173 HydrophobicContact CB-CD1 4.18Å; E136-F173 HydrophobicContact CB-CE1 4.32Å; E136-F173 HydrophobicContact CB-CG 4.37Å; E136-F173 HydrophobicContact CG-CE1 4.49Å; E136-F173 WeakPolarHBondContact O-CB 3.35Å; E136-F173 WeakPolarHBondContact O-CG 3.48Å
137G88.9Confident91.2Very high0 Ų049.4 Ų49.40%027%0.268CS..THydrogen-bonded Turntrans74.217.1-179.600000116.8Y132 H135 M139 F176Y132-G137 PolarHBondContact O-N 3.15Å; H135-G137 PolarHBondContact O-N 3.08Å; G137-M139 PolarHBondContact O-N 2.85Å; G137-F176 WeakPolarHBondContact O-CB 3.24Å; G137-F176 PolarHBondContact O-N 3.41Å
138D90.4Very high90.7Very high53 Ų5348.8 Ų48.828%0.28327%0.267SS..  trans-76.2108.1169.8-17111.6000112.1H135 D140 A141 I142 K183H135-D138 PolarHBondContact O-N 2.91Å; D138-D140 VanDerWaalsContact C-N 3.27Å; D138-D140 PolarHBondContact O-N 3.02Å; D138-D140 PolarHBondContact OD1-N 3.29Å; D138-A141 HydrophobicContact CB-CB 4.44Å; D138-A141 PolarHBondContact O-N 3.14Å; D138-I142 WeakPolarHBondContact O-CD1 3.17Å; D138-I142 VanDerWaalsContact O-CG1 3.23Å; D138-I142 WeakPolarHBondContact O-CG1 3.4Å; D138-I142 PolarHBondContact O-N 3.05Å; D138-K183 IonicContact OD1-NZ 3.52Å; D138-K183 PolarHBondContact OD1-NZ 3.02Å; D138-K183 VanDerWaalsContact OD1-NZ 3.1Å
139M87.9Confident90.1Very high2 Ų250.1 Ų50.11%0.0128%0.276CS..Hα-helixtrans-64.9-26.4-178.5-70.9-57.6-5800113.8G137 I142 T143 E154 L157 I161 F176G137-M139 PolarHBondContact O-N 2.85Å; M139-I142 HydrophobicContact SD-CD1 4.03Å; M139-T143 HydrophobicContact CE-CG2 4.17Å; M139-T143 WeakPolarHBondContact O-CB 3.36Å; M139-T143 VanDerWaalsContact O-CG2 3.28Å; M139-T143 WeakPolarHBondContact O-CG2 3.31Å; M139-T143 PolarHBondContact O-N 2.61Å; M139-T143 PolarHBondContact O-OG1 2.92Å; M139-E154 HydrophobicContact CE-CG 3.96Å; M139-L157 HydrophobicContact CE-CB 4.46Å; M139-I161 HydrophobicContact SD-CD1 3.82Å; M139-F176 HydrophobicContact CG-CD2 3.83Å; M139-F176 HydrophobicContact CG-CE2 4.16Å; M139-F176 HydrophobicContact SD-CD2 3.62Å; M139-F176 HydrophobicContact SD-CE2 3.58Å; M139-F176 VanDerWaalsContact SD-CE2 3.58Å
140D88.1Confident89.4Confident58 Ų5851.1 Ų51.131%0.3129%0.285SS..Hα-helixtrans-63.9-47.3175.7-65.2-42.6000110.5D138 T143 A144 K183 R187D138-D140 VanDerWaalsContact C-N 3.27Å; D138-D140 PolarHBondContact O-N 3.02Å; D138-D140 PolarHBondContact OD1-N 3.29Å; D140-T143 PolarHBondContact O-OG1 3.48Å; D140-A144 WeakPolarHBondContact O-CB 2.89Å; D140-A144 PolarHBondContact O-N 3.18Å; D140-A144 VanDerWaalsContact O-N 3.16Å; D140-K183 WeakPolarHBondContact OD2-CE 3.25Å; D140-K183 IonicContact OD2-NZ 3.6Å; D140-K183 PolarHBondContact OD2-NZ 3.27Å; D140-R187 IonicContact OD1-CZ 3.43Å; D140-R187 IonicContact OD1-NE 2.77Å; D140-R187 PolarHBondContact OD1-NE 3.17Å; D140-R187 IonicContact OD1-NH2 3.2Å; D140-R187 PolarHBondContact OD1-NH2 3.11Å; D140-R187 IonicContact OD2-NH2 2.66Å
141A88.9Confident88.2Confident25 Ų2549.4 Ų49.421%0.20728%0.283CS..Hα-helixtrans-71.7-37.5179.900000112.5H135 D138 A144 S145H135-A141 HydrophobicContact CB-CB 3.94Å; D138-A141 HydrophobicContact CB-CB 4.44Å; D138-A141 PolarHBondContact O-N 3.14Å; A141-A144 PolarHBondContact O-N 2.96Å; A141-S145 WeakPolarHBondContact O-CB 3.22Å; A141-S145 PolarHBondContact O-N 2.92Å; A141-S145 VanDerWaalsContact O-N 3.13Å; A141-S145 PolarHBondContact O-OG 3.35Å
142I90.6Very high87.4Confident0 Ų055.4 Ų55.40%031%0.311CS..Hα-helixtrans-63.7-48.9177.3-65.1162.8000110.6L131 Y132 H135 D138 M139 A144 S145 A146 I161L131-I142 HydrophobicContact CB-CG1 4.39Å; L131-I142 HydrophobicContact CB-CG2 4.24Å; Y132-I142 HydrophobicContact CD2-CD1 3.94Å; H135-I142 HydrophobicContact CB-CG1 4.09Å; D138-I142 WeakPolarHBondContact O-CD1 3.17Å; D138-I142 VanDerWaalsContact O-CG1 3.23Å; D138-I142 WeakPolarHBondContact O-CG1 3.4Å; D138-I142 PolarHBondContact O-N 3.05Å; M139-I142 HydrophobicContact SD-CD1 4.03Å; I142-A144 VanDerWaalsContact C-N 3.3Å; I142-A144 PolarHBondContact O-N 2.95Å; I142-S145 PolarHBondContact O-N 3.12Å; I142-A146 VanDerWaalsContact O-CB 3.23Å; I142-A146 WeakPolarHBondContact O-CB 3.12Å; I142-A146 PolarHBondContact O-N 2.97Å; I142-I161 HydrophobicContact CD1-CD1 4.34Å
143T87.6Confident86.9Confident24 Ų2456.3 Ų56.315%0.14732%0.316CS..Hα-helixtrans-68-28.4179.953.10000113.1M139 D140 S145 S149 E154 L157M139-T143 HydrophobicContact CE-CG2 4.17Å; M139-T143 WeakPolarHBondContact O-CB 3.36Å; M139-T143 VanDerWaalsContact O-CG2 3.28Å; M139-T143 WeakPolarHBondContact O-CG2 3.31Å; M139-T143 PolarHBondContact O-N 2.61Å; M139-T143 PolarHBondContact O-OG1 2.92Å; D140-T143 PolarHBondContact O-OG1 3.48Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S149 PolarHBondContact O-OG 2.83Å; T143-E154 HydrophobicContact CG2-CG 4.42Å; T143-L157 HydrophobicContact CG2-CD1 4.14Å
144A86.9Confident86.5Confident86 Ų8653.9 Ų53.971%0.71130%0.3SS*.Hα-helixtrans-74.2-24.417400000113.3D140 A141 I142D140-A144 WeakPolarHBondContact O-CB 2.89Å; D140-A144 PolarHBondContact O-N 3.18Å; D140-A144 VanDerWaalsContact O-N 3.16Å; A141-A144 PolarHBondContact O-N 2.96Å; I142-A144 VanDerWaalsContact C-N 3.3Å; I142-A144 PolarHBondContact O-N 2.95Å
145S87.9Confident86.2Confident64 Ų6451 Ų5145%0.44829%0.292SS..Hα-helixtrans-105.3-18-174.3-51.60000113.6A141 I142 T143A141-S145 WeakPolarHBondContact O-CB 3.22Å; A141-S145 PolarHBondContact O-N 2.92Å; A141-S145 VanDerWaalsContact O-N 3.13Å; A141-S145 PolarHBondContact O-OG 3.35Å; I142-S145 PolarHBondContact O-N 3.12Å; T143-S145 VanDerWaalsContact C-N 3.33Å
146A88.3Confident86Confident13 Ų1351.1 Ų51.111%0.10729%0.291CS..SBendtrans-70.3136.9-177.400000111.7L131 I142 S149 L157L131-A146 HydrophobicContact CD1-CB 3.84Å; I142-A146 VanDerWaalsContact O-CB 3.23Å; I142-A146 WeakPolarHBondContact O-CB 3.12Å; I142-A146 PolarHBondContact O-N 2.97Å; A146-S149 WeakPolarHBondContact CB-OG 3.29Å; A146-S149 PolarHBondContact O-OG 2.77Å; A146-L157 HydrophobicContact CB-CD1 4.31Å
147L88.6Confident85.9Confident87 Ų8744.8 Ų44.846%0.45526%0.261SS..THydrogen-bonded Turntrans-71.9142.2176.4-173.162.2000110.2F114 Y118 S149F114-L147 HydrophobicContact CE1-CD2 3.64Å; F114-L147 HydrophobicContact CE1-CG 4.3Å; F114-L147 HydrophobicContact CZ-CD2 3.73Å; Y118-L147 HydrophobicContact CD2-CD2 4.43Å; Y118-L147 HydrophobicContact CE1-CB 4.04Å; Y118-L147 HydrophobicContact CE1-CG 4.42Å; Y118-L147 WeakPolarHBondContact CE1-O 3.29Å; Y118-L147 HydrophobicContact CE2-CD2 4.21Å; L147-S149 PolarHBondContact O-N 2.73Å
148C83.6Confident85.9Confident34 Ų3445.3 Ų45.323%0.2327%0.265CS..THydrogen-bonded Turntrans5323.9179.9-63.40000113.5E115 Y118 K119 S150E115-C148 HydrophobicContact CG-CB 4.15Å; Y118-C148 HydrophobicContact CD1-CB 4.01Å; Y118-C148 HydrophobicContact CE1-CB 4.38Å; K119-C148 WeakPolarHBondContact CE-O 3.38Å; K119-C148 PolarHBondContact NZ-O 3.49Å; C148-S150 PolarHBondContact O-N 3.35Å
149S81.6Confident86.1Confident28 Ų2851.2 Ų51.220%0.19628%0.283CS..  trans-89.9108.5174.762.70000109.9T143 A146 L147T143-S149 PolarHBondContact O-OG 2.83Å; A146-S149 WeakPolarHBondContact CB-OG 3.29Å; A146-S149 PolarHBondContact O-OG 2.77Å; L147-S149 PolarHBondContact O-N 2.73Å
150S77.3Confident86.3Confident43 Ų4352.6 Ų52.630%0.30129%0.29SS..  trans-80.3164.7158.471.90000109.5C148 E152 D153C148-S150 PolarHBondContact O-N 3.35Å; S150-E152 PolarHBondContact O-N 3.2Å; S150-E152 VanDerWaalsContact O-N 3.17Å; S150-E152 PolarHBondContact OG-N 2.88Å; S150-D153 WeakPolarHBondContact CB-OD2 2.84Å; S150-D153 PolarHBondContact N-OD2 3.45Å; S150-D153 WeakPolarHBondContact O-CB 3.12Å; S150-D153 PolarHBondContact O-N 3.28Å; S150-D153 PolarHBondContact OG-N 3.43Å; S150-D153 PolarHBondContact OG-OD2 3.21Å
151Q70.1Confident86.6Confident108 Ų10850 Ų5051%0.50528%0.276SS..THydrogen-bonded Turntrans-69.5-12176.8-5693.2-16.300112.3A191Q151-A191 HydrophobicContact CB-CB 3.47Å; Q151-A191 VanDerWaalsContact CB-CB 3.47Å; Q151-A191 HydrophobicContact CG-CB 3.35Å
152E77.4Confident86.8Confident148 Ų14853 Ų5369%0.69229%0.286SS*.THydrogen-bonded Turntrans-79.4-18.7170.5-58.7-175.1-174.700112.9S150 P155 R195S150-E152 PolarHBondContact O-N 3.2Å; S150-E152 VanDerWaalsContact O-N 3.17Å; S150-E152 PolarHBondContact OG-N 2.88Å; E152-P155 WeakPolarHBondContact O-CD 3.49Å; E152-R195 IonicContact OE1-NH1 3.82Å
153D84.5Confident86.9Confident20 Ų2055.8 Ų55.811%0.10731%0.309CS..  trans-83.8-6.6-177.8-71.7-68.6000113.4K119 S150 P155 R156 L157K119-D153 IonicContact NZ-OD1 3.01Å; K119-D153 IonicContact NZ-OD2 3.84Å; K119-D153 PolarHBondContact NZ-OD2 2.87Å; S150-D153 WeakPolarHBondContact CB-OD2 2.84Å; S150-D153 PolarHBondContact N-OD2 3.45Å; S150-D153 WeakPolarHBondContact O-CB 3.12Å; S150-D153 PolarHBondContact O-N 3.28Å; S150-D153 PolarHBondContact OG-N 3.43Å; S150-D153 PolarHBondContact OG-OD2 3.21Å; D153-P155 VanDerWaalsContact C-N 3.34Å; D153-R156 WeakPolarHBondContact O-CA 3.49Å; D153-R156 VanDerWaalsContact O-CB 3.23Å; D153-R156 WeakPolarHBondContact O-CB 3.4Å; D153-R156 PolarHBondContact O-N 3.34Å; D153-R156 IonicContact OD1-CZ 3.69Å; D153-R156 IonicContact OD1-NE 2.65Å; D153-R156 PolarHBondContact OD1-NE 3.12Å; D153-R156 IonicContact OD1-NH2 3.26Å; D153-L157 PolarHBondContact O-N 2.9Å; D153-L157 VanDerWaalsContact O-N 3.08Å
154E84.8Confident87.2Confident25 Ų2554.7 Ų54.712%0.11730%0.302CS..Hα-helixtrans-50.2-43.8179-173.4-172.714700113.8M139 T143 R156 L157 C158 R187M139-E154 HydrophobicContact CE-CG 3.96Å; T143-E154 HydrophobicContact CG2-CG 4.42Å; E154-R156 PolarHBondContact O-N 3.5Å; E154-L157 PolarHBondContact O-N 3.15Å; E154-C158 WeakPolarHBondContact O-CB 3.15Å; E154-C158 PolarHBondContact O-N 2.97Å; E154-C158 PolarHBondContact O-SG 2.94Å; E154-R187 IonicContact OE1-NH1 3.37Å; E154-R187 PolarHBondContact OE1-NH1 2.95Å; E154-R187 WeakPolarHBondContact OE2-CD 3.28Å; E154-R187 IonicContact OE2-NH1 2.69Å; E154-R187 PolarHBondContact OE2-NH1 3.39Å; E154-R187 VanDerWaalsContact OE2-NH1 3.16Å
155P88.9Confident87.5Confident70 Ų7052.7 Ų52.746%0.45528%0.279SS..Hα-helixtrans-61.9-32.2177.5-2234.9000113E152 D153 R159E152-P155 WeakPolarHBondContact O-CD 3.49Å; D153-P155 VanDerWaalsContact C-N 3.34Å; P155-R159 VanDerWaalsContact O-CG 3.27Å; P155-R159 WeakPolarHBondContact O-CG 3.48Å; P155-R159 PolarHBondContact O-N 3.1Å; P155-R159 VanDerWaalsContact O-N 3.12Å
156R90.3Very high87.8Confident51 Ų5158 Ų5819%0.19229%0.294CS..Hα-helixtrans-71.9-48179.3-169.8179.258.469.3-5.2110.2E124 D153 E154 C158 R159 I160E124-R156 IonicContact OE1-CZ 3.1Å; E124-R156 IonicContact OE1-NH1 2.8Å; E124-R156 PolarHBondContact OE1-NH1 3.12Å; E124-R156 IonicContact OE1-NH2 3.67Å; E124-R156 PolarHBondContact OE1-NH2 3.39Å; E124-R156 IonicContact OE2-CZ 2.76Å; E124-R156 IonicContact OE2-NH1 3.17Å; E124-R156 PolarHBondContact OE2-NH1 3.27Å; D153-R156 WeakPolarHBondContact O-CA 3.49Å; D153-R156 VanDerWaalsContact O-CB 3.23Å; D153-R156 WeakPolarHBondContact O-CB 3.4Å; D153-R156 PolarHBondContact O-N 3.34Å; D153-R156 IonicContact OD1-CZ 3.69Å; D153-R156 IonicContact OD1-NE 2.65Å; D153-R156 PolarHBondContact OD1-NE 3.12Å; D153-R156 IonicContact OD1-NH2 3.26Å; E154-R156 PolarHBondContact O-N 3.5Å; R156-C158 VanDerWaalsContact C-N 3.32Å; R156-C158 PolarHBondContact O-N 3.34Å; R156-R159 WeakPolarHBondContact O-CB 3.31Å; R156-R159 PolarHBondContact O-N 3.01Å; R156-R159 VanDerWaalsContact O-N 3.11Å; R156-I160 PolarHBondContact O-N 3.11Å; R156-I160 VanDerWaalsContact O-N 3.14Å
157L90.9Very high88.1Confident1 Ų161.4 Ų61.41%0.00532%0.317CS..Hα-helixtrans-59.4-43.3174.2-56.5-177.3000111.5V128 M139 T143 A146 D153 E154 R159 I160 I161V128-L157 HydrophobicContact CG2-CD2 3.61Å; M139-L157 HydrophobicContact CE-CB 4.46Å; T143-L157 HydrophobicContact CG2-CD1 4.14Å; A146-L157 HydrophobicContact CB-CD1 4.31Å; D153-L157 PolarHBondContact O-N 2.9Å; D153-L157 VanDerWaalsContact O-N 3.08Å; E154-L157 PolarHBondContact O-N 3.15Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 3.09Å; L157-I160 WeakPolarHBondContact O-CB 3.42Å; L157-I160 PolarHBondContact O-N 3.38Å; L157-I161 WeakPolarHBondContact O-CG1 3.33Å; L157-I161 PolarHBondContact O-N 3.47Å
158C90Very high88.1Confident12 Ų1260.2 Ų60.28%0.08133%0.326CS..Hα-helixtrans-59-39.6175.1-73.30000112.4E154 R156 Q162 F176E154-C158 WeakPolarHBondContact O-CB 3.15Å; E154-C158 PolarHBondContact O-N 2.97Å; E154-C158 PolarHBondContact O-SG 2.94Å; R156-C158 VanDerWaalsContact C-N 3.32Å; R156-C158 PolarHBondContact O-N 3.34Å; C158-Q162 VanDerWaalsContact O-CB 3.27Å; C158-Q162 WeakPolarHBondContact O-CB 3.32Å; C158-Q162 WeakPolarHBondContact O-CG 3.4Å; C158-Q162 PolarHBondContact O-N 2.91Å; C158-F176 HydrophobicContact CB-CZ 4.48Å
159R93Very high88.5Confident176 Ų17663.1 Ų63.166%0.66434%0.336SS*.Hα-helixtrans-65.3-40.7177.5-73.9169.3-165.81645.1111.5P155 R156 L157 Q162 A163P155-R159 VanDerWaalsContact O-CG 3.27Å; P155-R159 WeakPolarHBondContact O-CG 3.48Å; P155-R159 PolarHBondContact O-N 3.1Å; P155-R159 VanDerWaalsContact O-N 3.12Å; R156-R159 WeakPolarHBondContact O-CB 3.31Å; R156-R159 PolarHBondContact O-N 3.01Å; R156-R159 VanDerWaalsContact O-N 3.11Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 3.09Å; R159-Q162 PolarHBondContact O-N 3.42Å; R159-A163 WeakPolarHBondContact O-CB 3.46Å; R159-A163 PolarHBondContact O-N 2.94Å
160I93.5Very high89Confident32 Ų3262.7 Ų62.716%0.16433%0.333CS..Hα-helixtrans-60.4-52.1176.7-65.6169.6000109.9E124 R125 V128 R156 L157 Q162 A163 A164E124-I160 HydrophobicContact CG-CD1 4.43Å; R125-I160 HydrophobicContact CB-CG2 4.24Å; R125-I160 HydrophobicContact CG-CG2 3.99Å; V128-I160 HydrophobicContact CB-CG2 4.21Å; V128-I160 HydrophobicContact CG1-CB 4.35Å; V128-I160 HydrophobicContact CG1-CG2 4Å; R156-I160 PolarHBondContact O-N 3.11Å; R156-I160 VanDerWaalsContact O-N 3.14Å; L157-I160 WeakPolarHBondContact O-CB 3.42Å; L157-I160 PolarHBondContact O-N 3.38Å; I160-Q162 PolarHBondContact O-N 2.84Å; I160-A163 WeakPolarHBondContact O-CB 2.72Å; I160-A163 PolarHBondContact O-N 3.09Å; I160-A163 VanDerWaalsContact O-N 3.16Å; I160-A164 PolarHBondContact O-N 3.24Å
161I92.9Very high89.6Confident2 Ų268.1 Ų68.11%0.0135%0.353CS..Hα-helixtrans-61.4-44.3179.1-64.3164.3000110.8V128 Y132 M139 I142 L157 A163 A164 I165 F176V128-I161 HydrophobicContact CG1-CD1 4.04Å; V128-I161 HydrophobicContact CG1-CG1 3.68Å; Y132-I161 HydrophobicContact CD1-CG2 4.4Å; Y132-I161 HydrophobicContact CD2-CB 4.46Å; Y132-I161 HydrophobicContact CD2-CD1 3.84Å; Y132-I161 HydrophobicContact CD2-CG1 4.09Å; Y132-I161 HydrophobicContact CD2-CG2 3.51Å; Y132-I161 HydrophobicContact CE1-CG2 4.31Å; Y132-I161 HydrophobicContact CE2-CG2 3.4Å; Y132-I161 HydrophobicContact CG-CD1 4.47Å; Y132-I161 HydrophobicContact CG-CG1 4.35Å; Y132-I161 HydrophobicContact CG-CG2 4.02Å; M139-I161 HydrophobicContact SD-CD1 3.82Å; I142-I161 HydrophobicContact CD1-CD1 4.34Å; L157-I161 WeakPolarHBondContact O-CG1 3.33Å; L157-I161 PolarHBondContact O-N 3.47Å; I161-A163 VanDerWaalsContact C-N 3.3Å; I161-A163 PolarHBondContact O-N 3.47Å; I161-A164 PolarHBondContact O-N 3.34Å; I161-I165 HydrophobicContact CG2-CD1 3.83Å; I161-I165 HydrophobicContact CG2-CG1 4.4Å; I161-I165 VanDerWaalsContact O-CG1 3.31Å; I161-I165 WeakPolarHBondContact O-CG1 3.24Å; I161-I165 PolarHBondContact O-N 3.45Å; I161-F176 HydrophobicContact CB-CE1 4.33Å; I161-F176 HydrophobicContact CB-CE2 4.15Å; I161-F176 HydrophobicContact CB-CZ 3.81Å; I161-F176 HydrophobicContact CD1-CE2 4Å; I161-F176 HydrophobicContact CG2-CD1 3.99Å; I161-F176 HydrophobicContact CG2-CD2 4.23Å; I161-F176 HydrophobicContact CG2-CE1 3.58Å; I161-F176 HydrophobicContact CG2-CE2 3.85Å; I161-F176 HydrophobicContact CG2-CG 4.3Å; I161-F176 HydrophobicContact CG2-CZ 3.5Å
162Q93.4Very high90.7Very high89 Ų8965.8 Ų65.842%0.41635%0.352SS..Hα-helixtrans-62.6-36.7176.9-76.6172.39.300112.6C158 R159 I160 K166 F176C158-Q162 VanDerWaalsContact O-CB 3.27Å; C158-Q162 WeakPolarHBondContact O-CB 3.32Å; C158-Q162 WeakPolarHBondContact O-CG 3.4Å; C158-Q162 PolarHBondContact O-N 2.91Å; R159-Q162 PolarHBondContact O-N 3.42Å; I160-Q162 PolarHBondContact O-N 2.84Å; Q162-K166 WeakPolarHBondContact O-CB 3.36Å; Q162-K166 WeakPolarHBondContact O-CG 3.34Å; Q162-K166 PolarHBondContact O-N 3.13Å; Q162-F176 HydrophobicContact CG-CE1 3.96Å; Q162-F176 HydrophobicContact CG-CZ 4.02Å
163A93.8Very high91.4Very high58 Ų5861.4 Ų61.448%0.47933%0.331SS..Hα-helixtrans-66.2-43.117500000111R159 I160 I161 K166 S167R159-A163 WeakPolarHBondContact O-CB 3.46Å; R159-A163 PolarHBondContact O-N 2.94Å; I160-A163 WeakPolarHBondContact O-CB 2.72Å; I160-A163 PolarHBondContact O-N 3.09Å; I160-A163 VanDerWaalsContact O-N 3.16Å; I161-A163 VanDerWaalsContact C-N 3.3Å; I161-A163 PolarHBondContact O-N 3.47Å; A163-K166 PolarHBondContact O-N 3.29Å; A163-S167 PolarHBondContact O-N 2.85Å; A163-S167 PolarHBondContact O-OG 3.27Å
164A93.5Very high91.7Very high2 Ų269.5 Ų69.52%0.01736%0.36CS..Hα-helixtrans-66.7-36.1178.700000113I129 I160 I161 S167 G168 E169 V170I129-A164 HydrophobicContact CD1-CB 3.87Å; I129-A164 HydrophobicContact CG1-CB 3.98Å; I160-A164 PolarHBondContact O-N 3.24Å; I161-A164 PolarHBondContact O-N 3.34Å; A164-S167 WeakPolarHBondContact CA-OG 3.41Å; A164-S167 PolarHBondContact O-OG 3.27Å; A164-G168 PolarHBondContact O-N 2.93Å; A164-E169 PolarHBondContact O-N 3.33Å; A164-V170 HydrophobicContact CB-CG2 3.62Å
165I93.4Very high91.8Very high44 Ų4470.7 Ų70.723%0.22637%0.374CS..Hα-helixtrans-66.4-41.4171.6-67.1167.3000110.6I161 G168 A172 F176I161-I165 HydrophobicContact CG2-CD1 3.83Å; I161-I165 HydrophobicContact CG2-CG1 4.4Å; I161-I165 VanDerWaalsContact O-CG1 3.31Å; I161-I165 WeakPolarHBondContact O-CG1 3.24Å; I161-I165 PolarHBondContact O-N 3.45Å; I165-G168 PolarHBondContact O-N 3.28Å; I165-A172 HydrophobicContact CD1-CB 4.33Å; I165-A172 HydrophobicContact CG2-CB 3.94Å; I165-F176 HydrophobicContact CD1-CD1 3.78Å; I165-F176 HydrophobicContact CD1-CE1 3.81Å
166K94.1Very high91.9Very high175 Ų17568.3 Ų68.376%0.76136%0.357SS*.Hα-helixtrans-67.8-35.3179.3-76.9172.4-176.3179.10112.9Q162 A163 G168Q162-K166 WeakPolarHBondContact O-CB 3.36Å; Q162-K166 WeakPolarHBondContact O-CG 3.34Å; Q162-K166 PolarHBondContact O-N 3.13Å; A163-K166 PolarHBondContact O-N 3.29Å; K166-G168 PolarHBondContact O-N 3.36Å
167S93.6Very high91.7Very high84 Ų8469.7 Ų69.759%0.58737%0.371SS*.Hα-helixtrans-74.4-11.8174.858.30000112.9A163 A164 E169A163-S167 PolarHBondContact O-N 2.85Å; A163-S167 PolarHBondContact O-OG 3.27Å; A164-S167 WeakPolarHBondContact CA-OG 3.41Å; A164-S167 PolarHBondContact O-OG 3.27Å; S167-E169 VanDerWaalsContact C-N 3.31Å
168G90.5Very high91.6Very high63 Ų6376.9 Ų76.965%0.64940%0.402SS*.THydrogen-bonded Turntrans77.415.9-177.900000113.8A164 I165 K166A164-G168 PolarHBondContact O-N 2.93Å; I165-G168 PolarHBondContact O-N 3.28Å; K166-G168 PolarHBondContact O-N 3.36Å
169E91Very high91.3Very high94 Ų9477.5 Ų77.544%0.43940%0.404SS..SBendtrans-75.1-28.6178.1-176.2177.5-158.800112.3R125 A164 S167R125-E169 IonicContact CZ-OE1 3.74Å; R125-E169 IonicContact CZ-OE2 3.52Å; R125-E169 IonicContact NH1-OE1 2.64Å; R125-E169 IonicContact NH2-OE1 2.69Å; R125-E169 PolarHBondContact NH2-OE1 2.88Å; R125-E169 IonicContact NH2-OE2 2.73Å; R125-E169 PolarHBondContact NH2-OE2 2.95Å; A164-E169 PolarHBondContact O-N 3.33Å; S167-E169 VanDerWaalsContact C-N 3.31Å
170V91.5Very high91Very high20 Ų2072.1 Ų72.112%0.12139%0.393CS..SBendtrans-138.9142.9-178.7-134.40000110.8I129 Y132 V133 A164I129-V170 HydrophobicContact CG1-CG2 4.36Å; I129-V170 HydrophobicContact CG2-CG1 4.46Å; I129-V170 HydrophobicContact CG2-CG2 3.78Å; Y132-V170 HydrophobicContact CD1-CB 4.31Å; Y132-V170 HydrophobicContact CD1-CG1 3.87Å; Y132-V170 HydrophobicContact CE1-CB 4.27Å; Y132-V170 HydrophobicContact CE1-CG1 4.1Å; V133-V170 HydrophobicContact CG2-CG1 3.46Å; V133-V170 VanDerWaalsContact CG2-CG1 3.46Å; A164-V170 HydrophobicContact CB-CG2 3.62Å
171E91.1Very high90.5Very high157 Ų15776.6 Ų76.673%0.73441%0.414SS*.  trans-72.5146.8177.6-64.6-168.3165.300111.9Y132 F173Y132-E171 WeakPolarHBondContact CE1-O 3.39Å; Y132-E171 PolarHBondContact OH-O 3.43Å; E171-F173 PolarHBondContact O-N 3.01Å
172A92.8Very high90.1Very high58 Ų5880 Ų8048%0.47944%0.442SS..  trans-80.4105.118000000111.2I165 T177I165-A172 HydrophobicContact CD1-CB 4.33Å; I165-A172 HydrophobicContact CG2-CB 3.94Å; A172-T177 HydrophobicContact CB-CG2 3.89Å
173F92.6Very high89.7Confident57 Ų5779.4 Ų79.425%0.2544%0.438CS..  trans-72.7146.3173.5-65.4-68.7000112.7Y132 E136 E171 A175 F176 T177Y132-F173 HydrophobicContact CD1-CD2 4.09Å; Y132-F173 HydrophobicContact CD1-CE2 4.13Å; Y132-F173 AromaticContact CE1-CD2 3.44Å; Y132-F173 HydrophobicContact CE1-CD2 3.44Å; Y132-F173 VanDerWaalsContact CE1-CD2 3.44Å; Y132-F173 AromaticContact CE1-CE2 3.78Å; Y132-F173 HydrophobicContact CE1-CE2 3.78Å; Y132-F173 HydrophobicContact CE2-CD2 4.23Å; Y132-F173 AromaticContact CZ-CD2 3.52Å; Y132-F173 PolarHBondContact OH-N 3.49Å; E136-F173 VanDerWaalsContact C-CD2 3.43Å; E136-F173 VanDerWaalsContact C-CG 3.46Å; E136-F173 HydrophobicContact CB-CD1 4.18Å; E136-F173 HydrophobicContact CB-CE1 4.32Å; E136-F173 HydrophobicContact CB-CG 4.37Å; E136-F173 HydrophobicContact CG-CE1 4.49Å; E136-F173 WeakPolarHBondContact O-CB 3.35Å; E136-F173 WeakPolarHBondContact O-CG 3.48Å; E171-F173 PolarHBondContact O-N 3.01Å; F173-A175 VanDerWaalsContact C-N 3.3Å; F173-A175 PolarHBondContact O-N 3Å; F173-F176 PolarHBondContact O-N 3.45Å; F173-T177 PolarHBondContact O-N 3.46Å; F173-T177 VanDerWaalsContact O-N 3.1Å; F173-T177 PolarHBondContact O-OG1 3.45Å
174R89.3Confident89.2Confident190 Ų19079.4 Ų79.472%0.71743%0.427SS*.Hα-helixtrans-63.6-35.5179.7-175.7178169.2172.9-3.9112.4F176 T177 K178R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 3.42Å; R174-T177 WeakPolarHBondContact CA-OG1 3.18Å; R174-T177 PolarHBondContact O-N 2.87Å; R174-T177 PolarHBondContact O-OG1 2.97Å; R174-K178 HydrophobicContact CG-CB 4.43Å; R174-K178 HydrophobicContact CG-CD 4.1Å; R174-K178 HydrophobicContact CG-CG 4.36Å; R174-K178 PolarHBondContact O-N 2.87Å
175A88.3Confident88.7Confident50 Ų5088.5 Ų88.541%0.41346%0.461SS..Hα-helixtrans-59-41179.700000111.7F173F173-A175 VanDerWaalsContact C-N 3.3Å; F173-A175 PolarHBondContact O-N 3Å
176F89.3Confident88.4Confident19 Ų1989.2 Ų89.28%0.08347%0.473CS..Hα-helixtrans-78.1-45.1178.3-175.7-105.4000113.1Y132 G137 M139 C158 I161 Q162 I165 F173 R174Y132-F176 HydrophobicContact CE2-CB 3.75Å; Y132-F176 HydrophobicContact CE2-CD1 4.22Å; Y132-F176 HydrophobicContact CE2-CD2 4.11Å; Y132-F176 AromaticContact CE2-CG 3.78Å; Y132-F176 HydrophobicContact CE2-CG 3.78Å; G137-F176 WeakPolarHBondContact O-CB 3.24Å; G137-F176 PolarHBondContact O-N 3.41Å; M139-F176 HydrophobicContact CG-CD2 3.83Å; M139-F176 HydrophobicContact CG-CE2 4.16Å; M139-F176 HydrophobicContact SD-CD2 3.62Å; M139-F176 HydrophobicContact SD-CE2 3.58Å; M139-F176 VanDerWaalsContact SD-CE2 3.58Å; C158-F176 HydrophobicContact CB-CZ 4.48Å; I161-F176 HydrophobicContact CB-CE1 4.33Å; I161-F176 HydrophobicContact CB-CE2 4.15Å; I161-F176 HydrophobicContact CB-CZ 3.81Å; I161-F176 HydrophobicContact CD1-CE2 4Å; I161-F176 HydrophobicContact CG2-CD1 3.99Å; I161-F176 HydrophobicContact CG2-CD2 4.23Å; I161-F176 HydrophobicContact CG2-CE1 3.58Å; I161-F176 HydrophobicContact CG2-CE2 3.85Å; I161-F176 HydrophobicContact CG2-CG 4.3Å; I161-F176 HydrophobicContact CG2-CZ 3.5Å; Q162-F176 HydrophobicContact CG-CE1 3.96Å; Q162-F176 HydrophobicContact CG-CZ 4.02Å; I165-F176 HydrophobicContact CD1-CD1 3.78Å; I165-F176 HydrophobicContact CD1-CE1 3.81Å; F173-F176 PolarHBondContact O-N 3.45Å; R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 3.42Å
177T88Confident87.9Confident80 Ų8082 Ų8249%0.49144%0.441SS..Hα-helixtrans-74.5-33.4-17350.50000114A172 F173 R174A172-T177 HydrophobicContact CB-CG2 3.89Å; F173-T177 PolarHBondContact O-N 3.46Å; F173-T177 VanDerWaalsContact O-N 3.1Å; F173-T177 PolarHBondContact O-OG1 3.45Å; R174-T177 WeakPolarHBondContact CA-OG1 3.18Å; R174-T177 PolarHBondContact O-N 2.87Å; R174-T177 PolarHBondContact O-OG1 2.97Å
178K87.9Confident87.4Confident153 Ų15386.2 Ų86.267%0.66544%0.444SS*.THydrogen-bonded Turntrans-107.924.9-177.1-63.5-168.6-179.9-179.20113R174 S180R174-K178 HydrophobicContact CG-CB 4.43Å; R174-K178 HydrophobicContact CG-CD 4.1Å; R174-K178 HydrophobicContact CG-CG 4.36Å; R174-K178 PolarHBondContact O-N 2.87Å; K178-S180 PolarHBondContact O-N 3.28Å
179E84Confident87.2Confident24 Ų2490.4 Ų90.411%0.11244%0.444CS..  trans-64.8132.2178.5-170.1174.4-148.800111.6K183 K184 R187E179-K183 HydrophobicContact CG-CB 4.25Å; E179-K183 HydrophobicContact CG-CD 4.16Å; E179-K184 HydrophobicContact CG-CG 4.12Å; E179-K184 WeakPolarHBondContact OE2-CE 3.2Å; E179-K184 IonicContact OE2-NZ 3.03Å; E179-R187 IonicContact OE1-CZ 3.62Å; E179-R187 IonicContact OE1-NH1 3.6Å; E179-R187 PolarHBondContact OE1-NH1 3.43Å; E179-R187 IonicContact OE1-NH2 2.98Å; E179-R187 PolarHBondContact OE1-NH2 3.07Å; E179-R187 IonicContact OE2-NH1 2.69Å
180S86.1Confident86.9Confident64 Ų6494 Ų9445%0.44845%0.454SS..  trans-75.5143.4179.278.60000111.4K178 A182 K183 K184K178-S180 PolarHBondContact O-N 3.28Å; S180-A182 PolarHBondContact O-N 3.49Å; S180-K183 WeakPolarHBondContact O-CB 3.39Å; S180-K183 PolarHBondContact O-N 3.22Å; S180-K183 WeakPolarHBondContact OG-CB 3.4Å; S180-K183 PolarHBondContact OG-N 3.13Å; S180-K184 PolarHBondContact O-N 3.08Å
181Q83.1Confident86.4Confident126 Ų12693.4 Ų93.459%0.58945%0.451SS*.Hα-helixtrans-60.2-28.9173.7-68.8-63.5-2900112.2R185Q181-R185 WeakPolarHBondContact O-CB 3.47Å; Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.36Å; Q181-R185 PolarHBondContact O-N 3.06Å
182A85.4Confident86.1Confident72 Ų7289 Ų8960%0.59543%0.433SS*.Hα-helixtrans-64.9-42.1173.600000111.8S180 R185 A186S180-A182 PolarHBondContact O-N 3.49Å; A182-R185 PolarHBondContact O-N 3.45Å; A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.39Å; A182-A186 PolarHBondContact O-N 2.96Å
183K84.3Confident85.8Confident78 Ų7893.6 Ų93.634%0.33944%0.437SS..Hα-helixtrans-62.5-46.3176.9-165-177-176.1-156.40111.1D138 D140 E179 S180 R185 A186 R187D138-K183 IonicContact OD1-NZ 3.52Å; D138-K183 PolarHBondContact OD1-NZ 3.02Å; D138-K183 VanDerWaalsContact OD1-NZ 3.1Å; D140-K183 WeakPolarHBondContact OD2-CE 3.25Å; D140-K183 IonicContact OD2-NZ 3.6Å; D140-K183 PolarHBondContact OD2-NZ 3.27Å; E179-K183 HydrophobicContact CG-CB 4.25Å; E179-K183 HydrophobicContact CG-CD 4.16Å; S180-K183 WeakPolarHBondContact O-CB 3.39Å; S180-K183 PolarHBondContact O-N 3.22Å; S180-K183 WeakPolarHBondContact OG-CB 3.4Å; S180-K183 PolarHBondContact OG-N 3.13Å; K183-R185 PolarHBondContact O-N 2.92Å; K183-A186 PolarHBondContact O-N 3.43Å; K183-R187 PolarHBondContact O-N 2.98Å
184K82.9Confident85.5Confident58 Ų5894.8 Ų94.825%0.25244%0.444SS..Hα-helixtrans-57.5-47.5175.1-65.9-176.1174.4-173.90112.7E179 S180 A186 R187 R188E179-K184 HydrophobicContact CG-CG 4.12Å; E179-K184 WeakPolarHBondContact OE2-CE 3.2Å; E179-K184 IonicContact OE2-NZ 3.03Å; S180-K184 PolarHBondContact O-N 3.08Å; K184-A186 PolarHBondContact O-N 3.21Å; K184-R187 PolarHBondContact O-N 3.34Å; K184-R188 PolarHBondContact O-N 3.47Å; K184-R188 VanDerWaalsContact O-N 3.12Å
185R84.2Confident85.2Confident193 Ų19392.3 Ų92.373%0.72843%0.434SS*.Hα-helixtrans-64.9-38.8177.5-72.9176.2-178.4-130.31.6112.3Q181 A182 K183 R188 K189Q181-R185 WeakPolarHBondContact O-CB 3.47Å; Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.36Å; Q181-R185 PolarHBondContact O-N 3.06Å; A182-R185 PolarHBondContact O-N 3.45Å; K183-R185 PolarHBondContact O-N 2.92Å; R185-R188 PolarHBondContact O-N 2.88Å; R185-K189 WeakPolarHBondContact O-CB 3.5Å; R185-K189 PolarHBondContact O-N 3.27Å
186A85.8Confident85.1Confident58 Ų5895.8 Ų95.848%0.47944%0.442SS..Hα-helixtrans-65.3-42.1177.800000111.7A182 K183 K184 K189 R190A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.39Å; A182-A186 PolarHBondContact O-N 2.96Å; K183-A186 PolarHBondContact O-N 3.43Å; K184-A186 PolarHBondContact O-N 3.21Å; A186-K189 PolarHBondContact O-N 3.06Å; A186-R190 WeakPolarHBondContact O-CB 3.38Å; A186-R190 PolarHBondContact O-N 3.29Å
187R84.3Confident85Confident25 Ų2599.3 Ų99.39%0.09446%0.459CS..Hα-helixtrans-58.6-50.5174.1-174-170.7-60.9128.88.3111.3D140 E154 E179 K183 K184 K189 R190 A191D140-R187 IonicContact OD1-CZ 3.43Å; D140-R187 IonicContact OD1-NE 2.77Å; D140-R187 PolarHBondContact OD1-NE 3.17Å; D140-R187 IonicContact OD1-NH2 3.2Å; D140-R187 PolarHBondContact OD1-NH2 3.11Å; D140-R187 IonicContact OD2-NH2 2.66Å; E154-R187 IonicContact OE1-NH1 3.37Å; E154-R187 PolarHBondContact OE1-NH1 2.95Å; E154-R187 WeakPolarHBondContact OE2-CD 3.28Å; E154-R187 IonicContact OE2-NH1 2.69Å; E154-R187 PolarHBondContact OE2-NH1 3.39Å; E154-R187 VanDerWaalsContact OE2-NH1 3.16Å; E179-R187 IonicContact OE1-CZ 3.62Å; E179-R187 IonicContact OE1-NH1 3.6Å; E179-R187 PolarHBondContact OE1-NH1 3.43Å; E179-R187 IonicContact OE1-NH2 2.98Å; E179-R187 PolarHBondContact OE1-NH2 3.07Å; E179-R187 IonicContact OE2-NH1 2.69Å; K183-R187 PolarHBondContact O-N 2.98Å; K184-R187 PolarHBondContact O-N 3.34Å; R187-K189 PolarHBondContact O-N 3.32Å; R187-R190 PolarHBondContact O-N 2.85Å; R187-A191 PolarHBondContact O-N 3.48Å
188R82.6Confident84.9Confident171 Ų17197.9 Ų97.965%0.64546%0.455SS*.Hα-helixtrans-58.5-47.2177.4-173.1172.3-177.8-108-0.4112.1K184 R185 R190 A191 D192K184-R188 PolarHBondContact O-N 3.47Å; K184-R188 VanDerWaalsContact O-N 3.12Å; R185-R188 PolarHBondContact O-N 2.88Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.24Å; R188-A191 WeakPolarHBondContact O-CB 3.45Å; R188-A191 PolarHBondContact O-N 3.42Å; R188-D192 PolarHBondContact O-N 3.33Å
189K86.3Confident84.7Confident151 Ų15194.1 Ų94.166%0.65744%0.44SS*.Hα-helixtrans-63.3-37.1178.9-173.3177.7-179.6-178.70112.8R185 A186 R187 R193R185-K189 WeakPolarHBondContact O-CB 3.5Å; R185-K189 PolarHBondContact O-N 3.27Å; A186-K189 PolarHBondContact O-N 3.06Å; R187-K189 PolarHBondContact O-N 3.32Å; K189-R193 PolarHBondContact O-N 2.9Å; K189-R193 VanDerWaalsContact O-N 3.1Å
190R85.4Confident84.8Confident171 Ų17199.3 Ų99.365%0.64546%0.464SS*.Hα-helixtrans-64.2-44.8175.4178.6178.5172.2-178.7-2.6110.7A186 R187 R188 R193 E194A186-R190 WeakPolarHBondContact O-CB 3.38Å; A186-R190 PolarHBondContact O-N 3.29Å; R187-R190 PolarHBondContact O-N 2.85Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.24Å; R190-R193 PolarHBondContact O-N 3.14Å; R190-E194 HydrophobicContact CG-CG 4.47Å; R190-E194 WeakPolarHBondContact CG-OE1 3.36Å; R190-E194 IonicContact CZ-OE1 3.73Å; R190-E194 IonicContact NE-OE1 3.16Å; R190-E194 PolarHBondContact NE-OE1 3.16Å; R190-E194 IonicContact NH2-OE1 3.92Å; R190-E194 PolarHBondContact NH2-OE1 2.88Å; R190-E194 WeakPolarHBondContact O-CG 3.19Å; R190-E194 PolarHBondContact O-N 2.95Å
191A81.3Confident84.6Confident6 Ų6101.5 Ų101.55%0.0547%0.468CS..Hα-helixtrans-61.6-45.1176.100000112.8Q151 R187 R188 R193 E194 R195Q151-A191 HydrophobicContact CB-CB 3.47Å; Q151-A191 VanDerWaalsContact CB-CB 3.47Å; Q151-A191 HydrophobicContact CG-CB 3.35Å; R187-A191 PolarHBondContact O-N 3.48Å; R188-A191 WeakPolarHBondContact O-CB 3.45Å; R188-A191 PolarHBondContact O-N 3.42Å; A191-R193 VanDerWaalsContact C-N 3.28Å; A191-R193 PolarHBondContact O-N 3.16Å; A191-E194 PolarHBondContact O-N 3.2Å; A191-R195 WeakPolarHBondContact O-CB 3.28Å; A191-R195 PolarHBondContact O-N 3.22Å
192D84.4Confident84.4Confident66 Ų6699.9 Ų99.935%0.35346%0.461SS..Hα-helixtrans-58.5-42.9177.1-64.5-28000110.5R188 R195 E196R188-D192 PolarHBondContact O-N 3.33Å; D192-R195 PolarHBondContact O-N 3.32Å; D192-E196 WeakPolarHBondContact O-CG 3.12Å; D192-E196 PolarHBondContact O-N 2.65Å
193R87.1Confident84.2Confident154 Ų154103.8 Ų103.858%0.58146%0.464SS*.Hα-helixtrans-65.6-47.5175.2175.3-178.9-82.4-173.3-11.3112.7K189 R190 A191 R195 E196 E197K189-R193 PolarHBondContact O-N 2.9Å; K189-R193 VanDerWaalsContact O-N 3.1Å; R190-R193 PolarHBondContact O-N 3.14Å; A191-R193 VanDerWaalsContact C-N 3.28Å; A191-R193 PolarHBondContact O-N 3.16Å; R193-R195 PolarHBondContact O-N 2.97Å; R193-E196 PolarHBondContact O-N 3.46Å; R193-E197 WeakPolarHBondContact CD-OE1 3.48Å; R193-E197 HydrophobicContact CG-CG 4.31Å; R193-E197 WeakPolarHBondContact CG-OE1 3.39Å; R193-E197 WeakPolarHBondContact O-CB 3.43Å; R193-E197 WeakPolarHBondContact O-CG 3.39Å; R193-E197 PolarHBondContact O-N 3.34Å
194E86.2Confident83.8Confident81 Ų81107.6 Ų107.638%0.37948%0.483SS..Hα-helixtrans-60.5-34.3178.9-74.7173.6-175.700111.1R190 A191 A198R190-E194 HydrophobicContact CG-CG 4.47Å; R190-E194 WeakPolarHBondContact CG-OE1 3.36Å; R190-E194 IonicContact CZ-OE1 3.73Å; R190-E194 IonicContact NE-OE1 3.16Å; R190-E194 PolarHBondContact NE-OE1 3.16Å; R190-E194 IonicContact NH2-OE1 3.92Å; R190-E194 PolarHBondContact NH2-OE1 2.88Å; R190-E194 WeakPolarHBondContact O-CG 3.19Å; R190-E194 PolarHBondContact O-N 2.95Å; A191-E194 PolarHBondContact O-N 3.2Å; E194-A198 WeakPolarHBondContact O-CB 3.28Å; E194-A198 PolarHBondContact O-N 2.91Å
195R82.4Confident83.3Confident139 Ų139111 Ų11153%0.52550%0.502SS..Hα-helixtrans-66.7-48.6172.6-179.8-175.6176.71658112.3E152 A191 D192 R193 E197 A198 E199E152-R195 IonicContact OE1-NH1 3.82Å; A191-R195 WeakPolarHBondContact O-CB 3.28Å; A191-R195 PolarHBondContact O-N 3.22Å; D192-R195 PolarHBondContact O-N 3.32Å; R193-R195 PolarHBondContact O-N 2.97Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E197 PolarHBondContact O-N 3.3Å; R195-A198 PolarHBondContact O-N 2.88Å; R195-E199 IonicContact CZ-OE1 2.91Å; R195-E199 IonicContact NE-OE1 2.7Å; R195-E199 PolarHBondContact NE-OE1 3.41Å; R195-E199 IonicContact NH2-OE1 3.75Å; R195-E199 WeakPolarHBondContact O-CG 3.46Å; R195-E199 PolarHBondContact O-N 3.16Å
196E86.3Confident82.6Confident123 Ų123102.1 Ų102.158%0.57547%0.47SS*.Hα-helixtrans-57.4-45.6176.4-74.1172.4179.400110.9D192 R193 A198 E199 E200D192-E196 WeakPolarHBondContact O-CG 3.12Å; D192-E196 PolarHBondContact O-N 2.65Å; R193-E196 PolarHBondContact O-N 3.46Å; E196-A198 PolarHBondContact O-N 3.13Å; E196-E199 PolarHBondContact O-N 3.45Å; E196-E200 WeakPolarHBondContact O-CG 3.26Å; E196-E200 PolarHBondContact O-N 3.01Å
197E88.3Confident81.6Confident93 Ų93104.4 Ų104.444%0.43547%0.474SS..Hα-helixtrans-62.2-40.5176.2-70.9172.9-169.700111.9R193 R195 E200 M201R193-E197 WeakPolarHBondContact CD-OE1 3.48Å; R193-E197 HydrophobicContact CG-CG 4.31Å; R193-E197 WeakPolarHBondContact CG-OE1 3.39Å; R193-E197 WeakPolarHBondContact O-CB 3.43Å; R193-E197 WeakPolarHBondContact O-CG 3.39Å; R193-E197 PolarHBondContact O-N 3.34Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E197 PolarHBondContact O-N 3.3Å; E197-E200 PolarHBondContact O-N 2.86Å; E197-M201 WeakPolarHBondContact O-CB 3.37Å; E197-M201 WeakPolarHBondContact O-CE 3.41Å; E197-M201 WeakPolarHBondContact O-CG 3.41Å; E197-M201 PolarHBondContact O-N 2.72Å
198A83.9Confident80.4Confident49 Ų49105.1 Ų105.141%0.40549%0.489SS..Hα-helixtrans-65.7-41.8175.600000112.7E194 R195 E196 E200 M201 Q202E194-A198 WeakPolarHBondContact O-CB 3.28Å; E194-A198 PolarHBondContact O-N 2.91Å; R195-A198 PolarHBondContact O-N 2.88Å; E196-A198 PolarHBondContact O-N 3.13Å; A198-E200 VanDerWaalsContact C-N 3.34Å; A198-M201 PolarHBondContact O-N 3.42Å; A198-Q202 WeakPolarHBondContact O-CB 3.37Å; A198-Q202 PolarHBondContact O-N 3.18Å
199E83.9Confident79.1Confident74 Ų74106.2 Ų106.235%0.34650%0.501SS..Hα-helixtrans-65.3-37.6175.7-72.3178.9-165.700111.6R195 E196 K203R195-E199 IonicContact CZ-OE1 2.91Å; R195-E199 IonicContact NE-OE1 2.7Å; R195-E199 PolarHBondContact NE-OE1 3.41Å; R195-E199 IonicContact NH2-OE1 3.75Å; R195-E199 WeakPolarHBondContact O-CG 3.46Å; R195-E199 PolarHBondContact O-N 3.16Å; E196-E199 PolarHBondContact O-N 3.45Å; E199-K203 WeakPolarHBondContact O-CD 2.92Å; E199-K203 VanDerWaalsContact O-CG 3.23Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.36Å; E199-K203 VanDerWaalsContact O-N 3.11Å
200E85.9Confident77.6Confident133 Ų133104.4 Ų104.462%0.62150%0.499SS*.Hα-helixtrans-65.8-47.3173.1-75-176.3172.600111.9E196 E197 A198 Q202 K203 E204E196-E200 WeakPolarHBondContact O-CG 3.26Å; E196-E200 PolarHBondContact O-N 3.01Å; E197-E200 PolarHBondContact O-N 2.86Å; A198-E200 VanDerWaalsContact C-N 3.34Å; E200-Q202 VanDerWaalsContact C-N 3.33Å; E200-Q202 PolarHBondContact O-N 2.67Å; E200-K203 WeakPolarHBondContact O-CB 3.38Å; E200-K203 PolarHBondContact O-N 3.27Å; E200-E204 PolarHBondContact O-N 2.93Å
201M83Confident76.1Confident110 Ų110104.7 Ų104.754%0.54251%0.507SS..Hα-helixtrans-60.5-41.4175.6-77.1-173.5-73.900111.9E197 A198 K203 E204 M205E197-M201 WeakPolarHBondContact O-CB 3.37Å; E197-M201 WeakPolarHBondContact O-CE 3.41Å; E197-M201 WeakPolarHBondContact O-CG 3.41Å; E197-M201 PolarHBondContact O-N 2.72Å; A198-M201 PolarHBondContact O-N 3.42Å; M201-K203 VanDerWaalsContact C-N 3.32Å; M201-K203 PolarHBondContact O-N 3.01Å; M201-E204 PolarHBondContact O-N 3.48Å; M201-M205 VanDerWaalsContact O-CB 3.31Å; M201-M205 WeakPolarHBondContact O-CB 3.49Å; M201-M205 WeakPolarHBondContact O-CG 2.84Å; M201-M205 PolarHBondContact O-N 3.16Å
202Q78.9Confident74.8Confident93 Ų93110.9 Ų110.944%0.43554%0.536SS..Hα-helixtrans-61.8-41.5177-173.2179.812.700111.6A198 E200 G206 L207A198-Q202 WeakPolarHBondContact O-CB 3.37Å; A198-Q202 PolarHBondContact O-N 3.18Å; E200-Q202 VanDerWaalsContact C-N 3.33Å; E200-Q202 PolarHBondContact O-N 2.67Å; Q202-G206 PolarHBondContact O-N 3.48Å; Q202-G206 VanDerWaalsContact O-N 3.16Å; Q202-L207 HydrophobicContact CG-CB 4.19Å; Q202-L207 VanDerWaalsContact CG-O 3.32Å; Q202-L207 WeakPolarHBondContact CG-O 3.3Å; Q202-L207 PolarHBondContact NE2-O 3.47Å; Q202-L207 PolarHBondContact O-N 3.44Å; Q202-L207 VanDerWaalsContact O-N 3.09Å
203K80.2Confident73.9Confident153 Ų153109.2 Ų109.267%0.66553%0.529SS*.Hα-helixtrans-65.4-42.9174.8-72.7166.6-171.3163.70111.8E199 E200 M201 G206E199-K203 WeakPolarHBondContact O-CD 2.92Å; E199-K203 VanDerWaalsContact O-CG 3.23Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.36Å; E199-K203 VanDerWaalsContact O-N 3.11Å; E200-K203 WeakPolarHBondContact O-CB 3.38Å; E200-K203 PolarHBondContact O-N 3.27Å; M201-K203 VanDerWaalsContact C-N 3.32Å; M201-K203 PolarHBondContact O-N 3.01Å; K203-G206 PolarHBondContact O-N 2.88Å; K203-G206 VanDerWaalsContact O-N 3.14Å
204E76.1Confident72.7Confident158 Ų158107.1 Ų107.174%0.73853%0.529SS*.Hα-helixtrans-63.2-42.6177.3-174.4176.6-173.200111.8E200 M201 G206 M217E200-E204 PolarHBondContact O-N 2.93Å; M201-E204 PolarHBondContact O-N 3.48Å; E204-G206 PolarHBondContact O-N 3.29Å; E204-M217 WeakPolarHBondContact O-CE 3.45Å
205M73.1Confident72Confident130 Ų130106.7 Ų106.764%0.6453%0.531SS*.THydrogen-bonded Turntrans-70.5-9176.3-68-77-80.700113M201 L207M201-M205 VanDerWaalsContact O-CB 3.31Å; M201-M205 WeakPolarHBondContact O-CB 3.49Å; M201-M205 WeakPolarHBondContact O-CG 2.84Å; M201-M205 PolarHBondContact O-N 3.16Å; M205-L207 HydrophobicContact CB-CD1 3.97Å; M205-L207 HydrophobicContact CB-CG 3.99Å; M205-L207 HydrophobicContact CE-CD1 4.44Å; M205-L207 PolarHBondContact O-N 3.32Å
206G69.8Low71.4Confident6 Ų6105.9 Ų105.96%0.06254%0.535CS..THydrogen-bonded Turntrans65.521.3-178.900000113.8Q202 K203 E204 G208 S213 M217Q202-G206 PolarHBondContact O-N 3.48Å; Q202-G206 VanDerWaalsContact O-N 3.16Å; K203-G206 PolarHBondContact O-N 2.88Å; K203-G206 VanDerWaalsContact O-N 3.14Å; E204-G206 PolarHBondContact O-N 3.29Å; G206-G208 PolarHBondContact O-N 3.28Å; G206-S213 VanDerWaalsContact C-OG 3.24Å; G206-S213 WeakPolarHBondContact CA-OG 3.37Å; G206-S213 WeakPolarHBondContact O-CB 3.49Å; G206-S213 PolarHBondContact O-OG 3.38Å; G206-M217 VanDerWaalsContact CA-CE 3.47Å
207L64.3Low70.6Confident106 Ų106103.4 Ų103.456%0.55552%0.524SS*.  trans-9242.5-179.3-64.5174.2000111.1Q202 M205Q202-L207 HydrophobicContact CG-CB 4.19Å; Q202-L207 VanDerWaalsContact CG-O 3.32Å; Q202-L207 WeakPolarHBondContact CG-O 3.3Å; Q202-L207 PolarHBondContact NE2-O 3.47Å; Q202-L207 PolarHBondContact O-N 3.44Å; Q202-L207 VanDerWaalsContact O-N 3.09Å; M205-L207 HydrophobicContact CB-CD1 3.97Å; M205-L207 HydrophobicContact CB-CG 3.99Å; M205-L207 HydrophobicContact CE-CD1 4.44Å; M205-L207 PolarHBondContact O-N 3.32Å
208G58.9Low70.2Confident40 Ų40103.9 Ų103.941%0.41253%0.529SS..  trans-69.5162.9170.200000111.4G206 D210G206-G208 PolarHBondContact O-N 3.28Å; G208-D210 PolarHBondContact O-N 2.77Å
209E55.8Low70Confident194 Ų194107.1 Ų107.191%0.90753%0.534SS*.SBendtrans-65.9-15.8-179.3-67.4-175155.400113.5
210D55Low69.9Low114 Ų114110.7 Ų110.761%0.6155%0.549SS*.SBendtrans-93.9125.4-177.8-52.5-46000111.4G208 E212 S213G208-D210 PolarHBondContact O-N 2.77Å; D210-E212 HydrophobicContact CB-CB 4.25Å; D210-E212 PolarHBondContact O-N 3.48Å; D210-S213 WeakPolarHBondContact O-CB 3.4Å; D210-S213 PolarHBondContact O-N 3.18Å
211E53.1Low69.7Low176 Ų176108.6 Ų108.682%0.82254%0.542SS*.THydrogen-bonded Turntrans-52.3-21.6170.1-71.2-174.7156.600112.6S213 L214 V215E211-S213 PolarHBondContact O-N 3.5Å; E211-L214 PolarHBondContact O-N 3.5Å; E211-V215 WeakPolarHBondContact O-CG2 3.24Å; E211-V215 PolarHBondContact O-N 3.02Å
212E55.1Low69.6Low137 Ų137108.7 Ų108.764%0.6454%0.541SS*.Hα-helixtrans-59.5-27.6173.4-63.6-166.7161.500113.4D210 V215 M216D210-E212 HydrophobicContact CB-CB 4.25Å; D210-E212 PolarHBondContact O-N 3.48Å; E212-V215 PolarHBondContact O-N 2.87Å; E212-M216 VanDerWaalsContact O-CB 3.23Å; E212-M216 WeakPolarHBondContact O-CB 3.23Å; E212-M216 VanDerWaalsContact O-CG 3.23Å; E212-M216 WeakPolarHBondContact O-CG 3.29Å; E212-M216 PolarHBondContact O-N 2.96Å
213S64.2Low69.8Low30 Ų30109 Ų10921%0.2154%0.542CS..Hα-helixtrans-67.8-45.1-178.9-179.40000112.5G206 D210 E211 M216 M217G206-S213 VanDerWaalsContact C-OG 3.24Å; G206-S213 WeakPolarHBondContact CA-OG 3.37Å; G206-S213 WeakPolarHBondContact O-CB 3.49Å; G206-S213 PolarHBondContact O-OG 3.38Å; D210-S213 WeakPolarHBondContact O-CB 3.4Å; D210-S213 PolarHBondContact O-N 3.18Å; E211-S213 PolarHBondContact O-N 3.5Å; S213-M216 PolarHBondContact O-N 3.46Å; S213-M217 PolarHBondContact O-N 3.37Å
214L62.4Low70Confident110 Ų110104.5 Ų104.558%0.57653%0.53SS*.Hα-helixtrans-65.2-42.3174.8-94.5160.5000111.5E211 M216 M217 L218E211-L214 PolarHBondContact O-N 3.5Å; L214-M216 VanDerWaalsContact C-N 3.32Å; L214-M216 PolarHBondContact O-N 3.15Å; L214-M217 PolarHBondContact O-N 3.34Å; L214-L218 WeakPolarHBondContact O-CG 3.47Å; L214-L218 PolarHBondContact O-N 2.88Å
215V71.2Confident70.5Confident72 Ų72105.8 Ų105.844%0.43653%0.528SS..Hα-helixtrans-63.2-40175.3175.40000110.8E211 E212 L218 K219E211-V215 WeakPolarHBondContact O-CG2 3.24Å; E211-V215 PolarHBondContact O-N 3.02Å; E212-V215 PolarHBondContact O-N 2.87Å; V215-L218 PolarHBondContact O-N 3.5Å; V215-K219 HydrophobicContact CG1-CD 4.38Å; V215-K219 WeakPolarHBondContact O-CB 3.37Å; V215-K219 WeakPolarHBondContact O-CG 3.37Å; V215-K219 PolarHBondContact O-N 3.42Å
216M70.6Confident71Confident122 Ų122105 Ų10560%0.60152%0.523SS*.Hα-helixtrans-66.9-39.9175.7-81.1-147.8-90.600112.3E212 S213 L214 K219 K220E212-M216 VanDerWaalsContact O-CB 3.23Å; E212-M216 WeakPolarHBondContact O-CB 3.23Å; E212-M216 VanDerWaalsContact O-CG 3.23Å; E212-M216 WeakPolarHBondContact O-CG 3.29Å; E212-M216 PolarHBondContact O-N 2.96Å; S213-M216 PolarHBondContact O-N 3.46Å; L214-M216 VanDerWaalsContact C-N 3.32Å; L214-M216 PolarHBondContact O-N 3.15Å; M216-K219 PolarHBondContact O-N 2.96Å; M216-K220 WeakPolarHBondContact O-CB 3.23Å; M216-K220 PolarHBondContact O-N 3.07Å
217M69.3Low71.7Confident71 Ų71113.2 Ų113.235%0.3555%0.552SS.*Hα-helixtrans-63.5-43.7173.1-85.9-166.616900112.3E204 G206 S213 L214 K219 K220 N221E204-M217 WeakPolarHBondContact O-CE 3.45Å; G206-M217 VanDerWaalsContact CA-CE 3.47Å; S213-M217 PolarHBondContact O-N 3.37Å; L214-M217 PolarHBondContact O-N 3.34Å; M217-K219 PolarHBondContact O-N 2.91Å; M217-K220 PolarHBondContact O-N 2.89Å; M217-N221 WeakPolarHBondContact O-CB 3.46Å; M217-N221 PolarHBondContact O-N 3.42Å
218L79.6Confident72.5Confident103 Ų103113.3 Ų113.354%0.53955%0.553SS.*Hα-helixtrans-62.1-43.2176.2-72.9171.4000111.7L214 V215 N221 Q222L214-L218 WeakPolarHBondContact O-CG 3.47Å; L214-L218 PolarHBondContact O-N 2.88Å; V215-L218 PolarHBondContact O-N 3.5Å; L218-N221 PolarHBondContact O-N 2.88Å; L218-Q222 WeakPolarHBondContact O-CB 3.35Å; L218-Q222 WeakPolarHBondContact O-CG 3.48Å; L218-Q222 PolarHBondContact O-N 3.49Å
219K79.6Confident73.7Confident118 Ų118117.1 Ų117.151%0.51356%0.559SS.*Hα-helixtrans-61.5-43.3173.6-77.6177.7-179.4174.80111.9V215 M216 M217 N221 Q222 Q223V215-K219 HydrophobicContact CG1-CD 4.38Å; V215-K219 WeakPolarHBondContact O-CB 3.37Å; V215-K219 WeakPolarHBondContact O-CG 3.37Å; V215-K219 PolarHBondContact O-N 3.42Å; M216-K219 PolarHBondContact O-N 2.96Å; M217-K219 PolarHBondContact O-N 2.91Å; K219-N221 PolarHBondContact O-N 3.32Å; K219-Q222 PolarHBondContact O-N 3.44Å; K219-Q223 WeakPolarHBondContact O-CB 3.29Å; K219-Q223 VanDerWaalsContact O-CG 3.29Å; K219-Q223 WeakPolarHBondContact O-CG 3.46Å; K219-Q223 PolarHBondContact O-N 3.25Å
220K81.3Confident75.2Confident149 Ų149112.4 Ų112.465%0.64854%0.539SS*.Hα-helixtrans-63.5-41.5177.7-170.7179.5179.6-176.40111.7M216 M217 Q223 S224M216-K220 WeakPolarHBondContact O-CB 3.23Å; M216-K220 PolarHBondContact O-N 3.07Å; M217-K220 PolarHBondContact O-N 2.89Å; K220-Q223 PolarHBondContact O-N 2.88Å; K220-S224 WeakPolarHBondContact O-CB 3.44Å; K220-S224 PolarHBondContact O-N 3.43Å
221N82.6Confident76.6Confident89 Ų89110 Ų11048%0.47653%0.532SS..Hα-helixtrans-65.7-41.2175.5-74.8-14.1000111.9M217 L218 K219 S224 R225M217-N221 WeakPolarHBondContact O-CB 3.46Å; M217-N221 PolarHBondContact O-N 3.42Å; L218-N221 PolarHBondContact O-N 2.88Å; K219-N221 PolarHBondContact O-N 3.32Å; N221-S224 PolarHBondContact O-N 3.01Å; N221-R225 VanDerWaalsContact O-CG 3.26Å; N221-R225 WeakPolarHBondContact O-CG 3.24Å; N221-R225 PolarHBondContact O-N 3.44Å
222Q81.5Confident78.2Confident112 Ų112106.2 Ų106.252%0.52352%0.517SS..Hα-helixtrans-61.3-48.9173-76.3174-4.500111.4L218 K219 S224 R225 E226L218-Q222 WeakPolarHBondContact O-CB 3.35Å; L218-Q222 WeakPolarHBondContact O-CG 3.48Å; L218-Q222 PolarHBondContact O-N 3.49Å; K219-Q222 PolarHBondContact O-N 3.44Å; Q222-S224 VanDerWaalsContact C-N 3.32Å; Q222-S224 PolarHBondContact O-N 3.15Å; Q222-R225 WeakPolarHBondContact O-CB 3.42Å; Q222-R225 PolarHBondContact O-N 3.36Å; Q222-R225 VanDerWaalsContact O-N 3.15Å; Q222-E226 WeakPolarHBondContact O-CG 3.26Å; Q222-E226 PolarHBondContact O-N 3.46Å
223Q82.8Confident79.5Confident100 Ų100103.2 Ų103.247%0.46751%0.505SS..Hα-helixtrans-61.4-38.2177.5-72.9176.13.600112.7K219 K220 E226 R227K219-Q223 WeakPolarHBondContact O-CB 3.29Å; K219-Q223 VanDerWaalsContact O-CG 3.29Å; K219-Q223 WeakPolarHBondContact O-CG 3.46Å; K219-Q223 PolarHBondContact O-N 3.25Å; K220-Q223 PolarHBondContact O-N 2.88Å; Q223-E226 PolarHBondContact O-N 2.86Å; Q223-R227 WeakPolarHBondContact O-CB 3.43Å; Q223-R227 VanDerWaalsContact O-CG 3.24Å; Q223-R227 WeakPolarHBondContact O-CG 3.47Å; Q223-R227 PolarHBondContact O-N 3.41Å
224S84.4Confident80.4Confident57 Ų57104.5 Ų104.540%0.39951%0.513SS..Hα-helixtrans-65.3-42.5174.9178.40000111.7K220 N221 Q222 R227 N228K220-S224 WeakPolarHBondContact O-CB 3.44Å; K220-S224 PolarHBondContact O-N 3.43Å; N221-S224 PolarHBondContact O-N 3.01Å; Q222-S224 VanDerWaalsContact C-N 3.32Å; Q222-S224 PolarHBondContact O-N 3.15Å; S224-R227 PolarHBondContact O-N 2.99Å; S224-N228 WeakPolarHBondContact O-CB 3.43Å; S224-N228 PolarHBondContact O-N 3.4Å; S224-N228 PolarHBondContact O-ND2 3.48Å
225R85.8Confident81.4Confident185 Ų185104.3 Ų104.370%0.69851%0.513SS*.Hα-helixtrans-62.5-43.5174.5-71171.2-176.7-174.81.7111.7N221 Q222 N228 F229N221-R225 VanDerWaalsContact O-CG 3.26Å; N221-R225 WeakPolarHBondContact O-CG 3.24Å; N221-R225 PolarHBondContact O-N 3.44Å; Q222-R225 WeakPolarHBondContact O-CB 3.42Å; Q222-R225 PolarHBondContact O-N 3.36Å; Q222-R225 VanDerWaalsContact O-N 3.15Å; R225-N228 PolarHBondContact O-N 2.9Å; R225-F229 VanDerWaalsContact O-CB 3.28Å; R225-F229 WeakPolarHBondContact O-CB 3.47Å; R225-F229 PolarHBondContact O-N 3.01Å
226E83.2Confident81.6Confident115 Ų115104.3 Ų104.354%0.53751%0.51SS..Hα-helixtrans-62.9-44.1176-75.1176-178.500112.1Q222 Q223 F229 N230Q222-E226 WeakPolarHBondContact O-CG 3.26Å; Q222-E226 PolarHBondContact O-N 3.46Å; Q223-E226 PolarHBondContact O-N 2.86Å; E226-F229 PolarHBondContact O-N 3.38Å; E226-N230 WeakPolarHBondContact O-CB 3.28Å; E226-N230 VanDerWaalsContact O-CG 3.25Å; E226-N230 PolarHBondContact O-N 3.48Å; E226-N230 PolarHBondContact O-ND2 2.87Å
227R84.2Confident81.9Confident177 Ų177104.7 Ų104.767%0.66851%0.51SS*.Hα-helixtrans-61.2-45.8176-74.9174.4-171.4-174.24.2111.7Q223 S224 F229 N230 S231Q223-R227 WeakPolarHBondContact O-CB 3.43Å; Q223-R227 VanDerWaalsContact O-CG 3.24Å; Q223-R227 WeakPolarHBondContact O-CG 3.47Å; Q223-R227 PolarHBondContact O-N 3.41Å; S224-R227 PolarHBondContact O-N 2.99Å; R227-F229 VanDerWaalsContact C-N 3.32Å; R227-F229 PolarHBondContact O-N 2.8Å; R227-N230 PolarHBondContact O-N 3.3Å; R227-S231 WeakPolarHBondContact O-CB 3.34Å; R227-S231 PolarHBondContact O-N 2.9Å
228N82.9Confident82.5Confident108 Ų108104.3 Ų104.358%0.57852%0.518SS*.Hα-helixtrans-64-39.6177.3-68.2-11.5000111.4S224 R225 L232S224-N228 WeakPolarHBondContact O-CB 3.43Å; S224-N228 PolarHBondContact O-N 3.4Å; S224-N228 PolarHBondContact O-ND2 3.48Å; R225-N228 PolarHBondContact O-N 2.9Å; N228-L232 WeakPolarHBondContact O-CB 3.46Å; N228-L232 PolarHBondContact O-N 2.93Å
229F84Confident82.3Confident121 Ų121106.7 Ų106.753%0.53152%0.524SS..Hα-helixtrans-66.8-43.4176.1-177-107.2000112.3R225 E226 R227 S231 L232 L233R225-F229 VanDerWaalsContact O-CB 3.28Å; R225-F229 WeakPolarHBondContact O-CB 3.47Å; R225-F229 PolarHBondContact O-N 3.01Å; E226-F229 PolarHBondContact O-N 3.38Å; R227-F229 VanDerWaalsContact C-N 3.32Å; R227-F229 PolarHBondContact O-N 2.8Å; F229-S231 VanDerWaalsContact C-N 3.35Å; F229-S231 PolarHBondContact O-N 3.21Å; F229-L232 WeakPolarHBondContact O-CB 3.32Å; F229-L232 PolarHBondContact O-N 3.5Å; F229-L233 HydrophobicContact CD1-CD1 3.81Å; F229-L233 HydrophobicContact CD1-CG 4.23Å; F229-L233 HydrophobicContact CE1-CD1 3.34Å; F229-L233 HydrophobicContact CE1-CD2 4.44Å; F229-L233 HydrophobicContact CE1-CG 3.91Å; F229-L233 HydrophobicContact CE2-CG 4.48Å; F229-L233 HydrophobicContact CZ-CD1 3.87Å; F229-L233 HydrophobicContact CZ-CD2 4.13Å; F229-L233 HydrophobicContact CZ-CG 4.03Å; F229-L233 WeakPolarHBondContact O-CG 3.39Å; F229-L233 PolarHBondContact O-N 3.19Å
230N85.7Confident82Confident94 Ų94109.1 Ų109.150%0.50353%0.532SS..Hα-helixtrans-65.4-37176.6-73.8-30000112.2E226 R227 L233 S234E226-N230 WeakPolarHBondContact O-CB 3.28Å; E226-N230 VanDerWaalsContact O-CG 3.25Å; E226-N230 PolarHBondContact O-N 3.48Å; E226-N230 PolarHBondContact O-ND2 2.87Å; R227-N230 PolarHBondContact O-N 3.3Å; N230-L233 PolarHBondContact O-N 3Å; N230-S234 PolarHBondContact O-N 3.39Å
231S86.1Confident81.2Confident64 Ų64105.7 Ų105.745%0.44853%0.526SS..Hα-helixtrans-63.1-42.8171.3-170.50000111.6R227 F229 L233 S234 D235R227-S231 WeakPolarHBondContact O-CB 3.34Å; R227-S231 PolarHBondContact O-N 2.9Å; F229-S231 VanDerWaalsContact C-N 3.35Å; F229-S231 PolarHBondContact O-N 3.21Å; S231-L233 VanDerWaalsContact C-N 3.34Å; S231-L233 PolarHBondContact O-N 3.48Å; S231-S234 PolarHBondContact O-N 2.83Å; S231-S234 PolarHBondContact O-OG 3.37Å; S231-D235 VanDerWaalsContact O-CG 3.25Å; S231-D235 PolarHBondContact O-N 3.33Å
232L85.4Confident80.1Confident97 Ų97109.7 Ų109.751%0.50854%0.542SS..Hα-helixtrans-65.2-38.2176.3-175.7142.6000111.8N228 F229 D235 L236N228-L232 WeakPolarHBondContact O-CB 3.46Å; N228-L232 PolarHBondContact O-N 2.93Å; F229-L232 WeakPolarHBondContact O-CB 3.32Å; F229-L232 PolarHBondContact O-N 3.5Å; L232-D235 PolarHBondContact O-N 2.99Å; L232-L236 HydrophobicContact CD2-CD1 3.65Å; L232-L236 HydrophobicContact CD2-CG 4.43Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 3.48Å
233L83Confident78.9Confident74 Ų74114.1 Ų114.139%0.38756%0.559SS.*Hα-helixtrans-66-41.7173.7-74.7-177.8000112.2F229 N230 S231 D235 L236 E237F229-L233 HydrophobicContact CD1-CD1 3.81Å; F229-L233 HydrophobicContact CD1-CG 4.23Å; F229-L233 HydrophobicContact CE1-CD1 3.34Å; F229-L233 HydrophobicContact CE1-CD2 4.44Å; F229-L233 HydrophobicContact CE1-CG 3.91Å; F229-L233 HydrophobicContact CE2-CG 4.48Å; F229-L233 HydrophobicContact CZ-CD1 3.87Å; F229-L233 HydrophobicContact CZ-CD2 4.13Å; F229-L233 HydrophobicContact CZ-CG 4.03Å; F229-L233 WeakPolarHBondContact O-CG 3.39Å; F229-L233 PolarHBondContact O-N 3.19Å; N230-L233 PolarHBondContact O-N 3Å; S231-L233 VanDerWaalsContact C-N 3.34Å; S231-L233 PolarHBondContact O-N 3.48Å; L233-D235 VanDerWaalsContact C-N 3.32Å; L233-D235 PolarHBondContact O-N 2.88Å; L233-L236 PolarHBondContact O-N 2.94Å; L233-E237 WeakPolarHBondContact O-CB 3.22Å; L233-E237 PolarHBondContact O-N 3.12Å
234S83.4Confident77.5Confident56 Ų56112.6 Ų112.639%0.39257%0.571SS.*Hα-helixtrans-65.3-37.2176.367.50000112.1N230 S231 E237 A238N230-S234 PolarHBondContact O-N 3.39Å; S231-S234 PolarHBondContact O-N 2.83Å; S231-S234 PolarHBondContact O-OG 3.37Å; S234-E237 PolarHBondContact O-N 2.87Å; S234-A238 WeakPolarHBondContact O-CB 3.43Å; S234-A238 PolarHBondContact O-N 2.87Å
235D82.8Confident75.5Confident106 Ų106116.7 Ų116.757%0.56759%0.594SS**Hα-helixtrans-66.6-39.9175.7-70.9-15.7000111.4S231 L232 L233 K239S231-D235 VanDerWaalsContact O-CG 3.25Å; S231-D235 PolarHBondContact O-N 3.33Å; L232-D235 PolarHBondContact O-N 2.99Å; L233-D235 VanDerWaalsContact C-N 3.32Å; L233-D235 PolarHBondContact O-N 2.88Å; D235-K239 WeakPolarHBondContact O-CB 3.34Å; D235-K239 PolarHBondContact O-N 2.79Å; D235-K239 VanDerWaalsContact O-N 3.12Å
236L75.4Confident73.4Confident72 Ų72118.1 Ų118.138%0.37761%0.605SS.*Hα-helixtrans-65.5-45.2172.7-76.3172000111.5L232 L233 A238 K239 Y240L232-L236 HydrophobicContact CD2-CD1 3.65Å; L232-L236 HydrophobicContact CD2-CG 4.43Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 3.48Å; L233-L236 PolarHBondContact O-N 2.94Å; L236-A238 PolarHBondContact O-N 3.17Å; L236-K239 PolarHBondContact O-N 3.49Å; L236-Y240 HydrophobicContact CD2-CD2 4.14Å; L236-Y240 HydrophobicContact CD2-CE2 3.66Å; L236-Y240 VanDerWaalsContact O-CD2 3.22Å; L236-Y240 WeakPolarHBondContact O-CD2 3.33Å; L236-Y240 PolarHBondContact O-N 3.3Å
237E77.8Confident71.4Confident131 Ų131120.7 Ų120.761%0.61262%0.617SS**Hα-helixtrans-59.1-48177-172.9179.1-172.200110.7L233 S234 K239 Y240 S241L233-E237 WeakPolarHBondContact O-CB 3.22Å; L233-E237 PolarHBondContact O-N 3.12Å; S234-E237 PolarHBondContact O-N 2.87Å; E237-K239 VanDerWaalsContact C-N 3.26Å; E237-K239 PolarHBondContact O-N 3.34Å; E237-Y240 PolarHBondContact O-N 3.28Å; E237-S241 VanDerWaalsContact CG-OG 3.3Å; E237-S241 WeakPolarHBondContact CG-OG 3.3Å; E237-S241 WeakPolarHBondContact O-CB 3.07Å; E237-S241 PolarHBondContact O-N 2.84Å; E237-S241 PolarHBondContact O-OG 2.6Å
238A80.4Confident69.3Low62 Ų62121.8 Ų121.851%0.51263%0.63SS.*Hα-helixtrans-58.5-39176.400000112.3S234 L236S234-A238 WeakPolarHBondContact O-CB 3.43Å; S234-A238 PolarHBondContact O-N 2.87Å; L236-A238 PolarHBondContact O-N 3.17Å
239K76.6Confident67.1Low154 Ų154125.6 Ų125.667%0.6764%0.641SS**Hα-helixtrans-73.9-34.1-177.9-167.1173.5-175.4176.80113.6D235 L236 E237D235-K239 WeakPolarHBondContact O-CB 3.34Å; D235-K239 PolarHBondContact O-N 2.79Å; D235-K239 VanDerWaalsContact O-N 3.12Å; L236-K239 PolarHBondContact O-N 3.49Å; E237-K239 VanDerWaalsContact C-N 3.26Å; E237-K239 PolarHBondContact O-N 3.34Å
240Y73.4Confident65.1Low169 Ų169123.5 Ų123.566%0.66365%0.654SS**Hα-helixtrans-105.2-19-173.7-69.4-74.2000114.4L236 E237L236-Y240 HydrophobicContact CD2-CD2 4.14Å; L236-Y240 HydrophobicContact CD2-CE2 3.66Å; L236-Y240 VanDerWaalsContact O-CD2 3.22Å; L236-Y240 WeakPolarHBondContact O-CD2 3.33Å; L236-Y240 PolarHBondContact O-N 3.3Å; E237-Y240 PolarHBondContact O-N 3.28Å
241S63.4Low62.9Low76 Ų76129 Ų12953%0.53167%0.673SS.*Hα-helixtrans-81.1-18.3179.3-48.30000113.4E237 K243E237-S241 VanDerWaalsContact CG-OG 3.3Å; E237-S241 WeakPolarHBondContact CG-OG 3.3Å; E237-S241 WeakPolarHBondContact O-CB 3.07Å; E237-S241 PolarHBondContact O-N 2.84Å; E237-S241 PolarHBondContact O-OG 2.6Å; S241-K243 PolarHBondContact O-N 3.04Å
242Q60.9Low60.6Low173 Ų173138 Ų13881%0.80870%0.698SS**  trans-83.142.6177.4-69.4-164.4-4.800114.3
243K54.6Low58.5Low205 Ų205138.4 Ų138.489%0.89172%0.715SS**  trans-121.375.4161.6-84.4-174.6177.5175.80109.6S241S241-K243 PolarHBondContact O-N 3.04Å
244G53.5Low56.5Low69 Ų69145 Ų14571%0.71174%0.74SS**  trans-170.719.3-176.700000118.9
245T43.9Very low54.3Low143 Ų143155.9 Ų155.988%0.87778%0.78SS**  trans-12587.8168.452.40000111.1Q247T245-Q247 PolarHBondContact O-N 3.23Å
246K41.1Very low52.9Low214 Ų214158.4 Ų158.493%0.9379%0.791SS**  trans-67.9106.3165.6-87178.8175.3173.10109Q248K246-Q248 PolarHBondContact O-N 3.17Å
247Q40.3Very low51.7Low169 Ų169162.9 Ų162.979%0.7981%0.813SS**  trans-70.7111.3158.5-93.7179.2-4.600109.1T245 K249T245-Q247 PolarHBondContact O-N 3.23Å; Q247-K249 PolarHBondContact O-N 3.36Å; Q247-K249 VanDerWaalsContact O-N 3.17Å
248Q40.6Very low50.2Low201 Ų201164.7 Ų164.794%0.93982%0.824SS**  trans-70.9100.2162.8-108.2179.2-900108.5K246K246-Q248 PolarHBondContact O-N 3.17Å
249K37.7Very low48.5Very low187 Ų187170.7 Ų170.781%0.81384%0.842SS**  trans-90.1127.2166-96.1-177.7176.8175.30109.7Q247Q247-K249 PolarHBondContact O-N 3.36Å; Q247-K249 VanDerWaalsContact O-N 3.17Å
250G40.5Very low46.7Very low78 Ų78171.8 Ų171.880%0.80485%0.853SS**  trans-63.8153.2-172.700000115.6
251K40.4Very low44.9Very low209 Ų209171.9 Ų171.991%0.90987%0.866SS**  trans-98.9113.3162.7-82.6-177.5174.4179.60109A253K251-A253 PolarHBondContact O-N 3.45Å
252R37.9Very low43.6Very low254 Ų254178.8 Ų178.896%0.95889%0.89SS**  trans-61.4121.6159.8-88.3173.4153.5177.3-6.9108.6
253A41Very low42.3Very low105 Ų105179.2 Ų179.287%0.86890%0.896SS**  trans-93.2136.7162.900000109.1K251K251-A253 PolarHBondContact O-N 3.45Å
254K41.1Very low41.3Very low211 Ų211177.1 Ų177.192%0.91790%0.896SS**  trans-112.2107.4-177-165.4-172.7-166-175.40107.5
255K37Very low40.2Very low285 Ų285186.9 Ų186.9100%1.23991%0.913SS**  trans-171.40142-120.9-178.2178.3-177.40109.6

Retrieved 255 of 255 residues in 76.3 ms (Link to these results)

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